USER MOD reduce.3.24.130724 H: found=0, std=0, add=694, rem=0, adj=20 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 19 SER OG : rot -174:sc= -1.81! USER MOD Set 1.2: A 103 GLN : amide:sc= -3.91 K(o=-5.7,f=-8.1!) USER MOD Set 2.1: A 51 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 82 THR OG1 : rot 70:sc= -2.06 USER MOD Set 3.1: A 27 CYS SG : rot 96:sc= -0.246 USER MOD Set 3.2: A 66 CYS SG : rot 20:sc= -1.97! USER MOD Set 4.1: A 23 ASN : amide:sc= -1.1 K(o=-2.5,f=-5.8!) USER MOD Set 4.2: A 28 THR OG1 : rot 180:sc= -1.37 USER MOD Set 5.1: A 5 ASN : amide:sc= -2.55 K(o=-2.7,f=-1.6!) USER MOD Set 5.2: A 78 SER OG : rot 180:sc= -0.184 USER MOD Single : A 1 LEU N :NH3+ -155:sc= -1.01 (180deg=-1.54) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 MET CE :methyl 176:sc= -0.818 (180deg=-0.841) USER MOD Single : A 10 LYS NZ :NH3+ -142:sc= -2.09! (180deg=-6.1!) USER MOD Single : A 11 LYS NZ :NH3+ 136:sc= 0.0845 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ -121:sc= -0.0325 (180deg=-1.48!) USER MOD Single : A 21 SER OG : rot 100:sc= -2.26! USER MOD Single : A 34 GLN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 36 GLN : amide:sc= -1.35 K(o=-1.3,f=-3.2!) USER MOD Single : A 37 TYR OH : rot -81:sc= 1.25 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 162:sc= 1.29 (180deg=1.19) USER MOD Single : A 45 GLN : amide:sc= -0.137 K(o=-0.14,f=-0.72) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -0.514 K(o=-0.51,f=0) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 TYR OH : rot 92:sc= 0.275 USER MOD Single : A 71 LYS NZ :NH3+ 134:sc= -0.574 (180deg=-1.22!) USER MOD Single : A 74 ASN : amide:sc= 0.122 K(o=0.12,f=-1.7) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 MET CE :methyl 179:sc= -0.175 (180deg=-0.179) USER MOD Single : A 104 TYR OH : rot -144:sc= 0.945 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 -0.592 -10.288 -13.981 1.00 0.00 N ATOM 2 CA LEU A 1 -1.094 -9.194 -13.107 1.00 0.00 C ATOM 3 C LEU A 1 -0.732 -7.827 -13.676 1.00 0.00 C ATOM 4 O LEU A 1 0.346 -7.645 -14.241 1.00 0.00 O ATOM 5 CB LEU A 1 -0.487 -9.365 -11.711 1.00 0.00 C ATOM 6 CG LEU A 1 -0.345 -10.811 -11.233 1.00 0.00 C ATOM 7 CD1 LEU A 1 0.243 -10.855 -9.832 1.00 0.00 C ATOM 8 CD2 LEU A 1 -1.691 -11.520 -11.271 1.00 0.00 C ATOM 0 H1 LEU A 1 -1.173 -11.139 -13.840 1.00 0.00 H new ATOM 0 H2 LEU A 1 -0.649 -9.991 -14.976 1.00 0.00 H new ATOM 0 H3 LEU A 1 0.397 -10.500 -13.739 1.00 0.00 H new ATOM 0 HA LEU A 1 -2.181 -9.250 -13.052 1.00 0.00 H new ATOM 0 HB2 LEU A 1 0.498 -8.898 -11.701 1.00 0.00 H new ATOM 0 HB3 LEU A 1 -1.104 -8.822 -10.995 1.00 0.00 H new ATOM 0 HG LEU A 1 0.336 -11.331 -11.907 1.00 0.00 H new ATOM 0 HD11 LEU A 1 0.336 -11.892 -9.509 1.00 0.00 H new ATOM 0 HD12 LEU A 1 1.227 -10.386 -9.835 1.00 0.00 H new ATOM 0 HD13 LEU A 1 -0.412 -10.319 -9.145 1.00 0.00 H new ATOM 0 HD21 LEU A 1 -1.571 -12.548 -10.928 1.00 0.00 H new ATOM 0 HD22 LEU A 1 -2.395 -11.000 -10.621 1.00 0.00 H new ATOM 0 HD23 LEU A 1 -2.073 -11.521 -12.292 1.00 0.00 H new ATOM 22 N GLU A 2 -1.639 -6.867 -13.525 1.00 0.00 N ATOM 23 CA GLU A 2 -1.411 -5.516 -14.023 1.00 0.00 C ATOM 24 C GLU A 2 -0.582 -4.705 -13.034 1.00 0.00 C ATOM 25 O GLU A 2 -0.528 -5.023 -11.847 1.00 0.00 O ATOM 26 CB GLU A 2 -2.743 -4.806 -14.279 1.00 0.00 C ATOM 27 CG GLU A 2 -2.763 -3.999 -15.569 1.00 0.00 C ATOM 28 CD GLU A 2 -3.221 -4.816 -16.760 1.00 0.00 C ATOM 29 OE1 GLU A 2 -2.688 -5.928 -16.958 1.00 0.00 O ATOM 30 OE2 GLU A 2 -4.111 -4.342 -17.496 1.00 0.00 O ATOM 0 H GLU A 2 -2.538 -7.000 -13.062 1.00 0.00 H new ATOM 0 HA GLU A 2 -0.861 -5.595 -14.961 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -3.541 -5.548 -14.312 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -2.959 -4.143 -13.441 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -3.424 -3.141 -15.446 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -1.765 -3.607 -15.764 1.00 0.00 H new ATOM 37 N LYS A 3 0.054 -3.649 -13.527 1.00 0.00 N ATOM 38 CA LYS A 3 0.867 -2.787 -12.681 1.00 0.00 C ATOM 39 C LYS A 3 0.926 -1.372 -13.245 1.00 0.00 C ATOM 40 O LYS A 3 1.232 -1.170 -14.418 1.00 0.00 O ATOM 41 CB LYS A 3 2.286 -3.340 -12.538 1.00 0.00 C ATOM 42 CG LYS A 3 2.342 -4.830 -12.249 1.00 0.00 C ATOM 43 CD LYS A 3 3.779 -5.308 -12.098 1.00 0.00 C ATOM 44 CE LYS A 3 3.910 -6.340 -10.989 1.00 0.00 C ATOM 45 NZ LYS A 3 4.893 -7.405 -11.334 1.00 0.00 N ATOM 0 H LYS A 3 0.022 -3.370 -14.508 1.00 0.00 H new ATOM 0 HA LYS A 3 0.399 -2.758 -11.697 1.00 0.00 H new ATOM 0 HB2 LYS A 3 2.838 -3.137 -13.456 1.00 0.00 H new ATOM 0 HB3 LYS A 3 2.794 -2.805 -11.736 1.00 0.00 H new ATOM 0 HG2 LYS A 3 1.786 -5.047 -11.337 1.00 0.00 H new ATOM 0 HG3 LYS A 3 1.857 -5.378 -13.056 1.00 0.00 H new ATOM 0 HD2 LYS A 3 4.121 -5.739 -13.039 1.00 0.00 H new ATOM 0 HD3 LYS A 3 4.426 -4.457 -11.883 1.00 0.00 H new ATOM 0 HE2 LYS A 3 4.219 -5.846 -10.068 1.00 0.00 H new ATOM 0 HE3 LYS A 3 2.937 -6.792 -10.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 4.953 -8.088 -10.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 4.586 -7.894 -12.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 5.828 -6.977 -11.492 1.00 0.00 H new ATOM 59 N PHE A 4 0.646 -0.398 -12.389 1.00 0.00 N ATOM 60 CA PHE A 4 0.682 1.003 -12.784 1.00 0.00 C ATOM 61 C PHE A 4 1.341 1.831 -11.688 1.00 0.00 C ATOM 62 O PHE A 4 1.610 1.323 -10.602 1.00 0.00 O ATOM 63 CB PHE A 4 -0.730 1.520 -13.083 1.00 0.00 C ATOM 64 CG PHE A 4 -1.589 1.703 -11.864 1.00 0.00 C ATOM 65 CD1 PHE A 4 -2.211 0.619 -11.265 1.00 0.00 C ATOM 66 CD2 PHE A 4 -1.779 2.961 -11.320 1.00 0.00 C ATOM 67 CE1 PHE A 4 -3.004 0.789 -10.147 1.00 0.00 C ATOM 68 CE2 PHE A 4 -2.568 3.136 -10.204 1.00 0.00 C ATOM 69 CZ PHE A 4 -3.182 2.049 -9.615 1.00 0.00 C ATOM 0 H PHE A 4 0.391 -0.554 -11.414 1.00 0.00 H new ATOM 0 HA PHE A 4 1.271 1.096 -13.697 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -0.653 2.473 -13.606 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -1.224 0.824 -13.761 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -2.074 -0.370 -11.677 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -1.303 3.817 -11.776 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -3.484 -0.064 -9.690 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -2.706 4.124 -9.790 1.00 0.00 H new ATOM 0 HZ PHE A 4 -3.800 2.185 -8.740 1.00 0.00 H new ATOM 79 N ASN A 5 1.611 3.098 -11.974 1.00 0.00 N ATOM 80 CA ASN A 5 2.255 3.968 -10.998 1.00 0.00 C ATOM 81 C ASN A 5 1.282 5.006 -10.450 1.00 0.00 C ATOM 82 O ASN A 5 0.523 5.621 -11.200 1.00 0.00 O ATOM 83 CB ASN A 5 3.465 4.665 -11.627 1.00 0.00 C ATOM 84 CG ASN A 5 4.759 4.338 -10.909 1.00 0.00 C ATOM 85 OD1 ASN A 5 5.783 4.076 -11.541 1.00 0.00 O ATOM 86 ND2 ASN A 5 4.720 4.353 -9.582 1.00 0.00 N ATOM 0 H ASN A 5 1.396 3.544 -12.866 1.00 0.00 H new ATOM 0 HA ASN A 5 2.589 3.347 -10.167 1.00 0.00 H new ATOM 0 HB2 ASN A 5 3.548 4.369 -12.673 1.00 0.00 H new ATOM 0 HB3 ASN A 5 3.307 5.743 -11.613 1.00 0.00 H new ATOM 0 HD21 ASN A 5 5.561 4.142 -9.045 1.00 0.00 H new ATOM 0 HD22 ASN A 5 3.849 4.576 -9.100 1.00 0.00 H new ATOM 93 N VAL A 6 1.320 5.197 -9.136 1.00 0.00 N ATOM 94 CA VAL A 6 0.452 6.163 -8.475 1.00 0.00 C ATOM 95 C VAL A 6 1.279 7.250 -7.806 1.00 0.00 C ATOM 96 O VAL A 6 1.909 7.016 -6.778 1.00 0.00 O ATOM 97 CB VAL A 6 -0.427 5.487 -7.406 1.00 0.00 C ATOM 98 CG1 VAL A 6 -1.518 6.432 -6.928 1.00 0.00 C ATOM 99 CG2 VAL A 6 -1.015 4.193 -7.934 1.00 0.00 C ATOM 0 H VAL A 6 1.945 4.694 -8.506 1.00 0.00 H new ATOM 0 HA VAL A 6 -0.189 6.599 -9.241 1.00 0.00 H new ATOM 0 HB VAL A 6 0.202 5.244 -6.550 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -2.126 5.933 -6.173 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -1.064 7.324 -6.496 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -2.147 6.717 -7.771 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -1.632 3.732 -7.163 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -1.627 4.403 -8.811 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -0.209 3.512 -8.208 1.00 0.00 H new ATOM 109 N ASP A 7 1.269 8.442 -8.384 1.00 0.00 N ATOM 110 CA ASP A 7 2.025 9.551 -7.822 1.00 0.00 C ATOM 111 C ASP A 7 1.094 10.614 -7.257 1.00 0.00 C ATOM 112 O ASP A 7 0.201 11.101 -7.952 1.00 0.00 O ATOM 113 CB ASP A 7 2.927 10.167 -8.895 1.00 0.00 C ATOM 114 CG ASP A 7 2.173 10.482 -10.171 1.00 0.00 C ATOM 115 OD1 ASP A 7 1.507 9.570 -10.708 1.00 0.00 O ATOM 116 OD2 ASP A 7 2.245 11.639 -10.635 1.00 0.00 O ATOM 0 H ASP A 7 0.751 8.665 -9.234 1.00 0.00 H new ATOM 0 HA ASP A 7 2.641 9.166 -7.009 1.00 0.00 H new ATOM 0 HB2 ASP A 7 3.377 11.081 -8.507 1.00 0.00 H new ATOM 0 HB3 ASP A 7 3.743 9.480 -9.118 1.00 0.00 H new ATOM 121 N LEU A 8 1.313 10.989 -6.001 1.00 0.00 N ATOM 122 CA LEU A 8 0.491 12.017 -5.372 1.00 0.00 C ATOM 123 C LEU A 8 1.302 12.813 -4.365 1.00 0.00 C ATOM 124 O LEU A 8 2.282 12.320 -3.815 1.00 0.00 O ATOM 125 CB LEU A 8 -0.773 11.427 -4.713 1.00 0.00 C ATOM 126 CG LEU A 8 -0.595 10.218 -3.776 1.00 0.00 C ATOM 127 CD1 LEU A 8 0.229 9.120 -4.428 1.00 0.00 C ATOM 128 CD2 LEU A 8 0.015 10.635 -2.444 1.00 0.00 C ATOM 0 H LEU A 8 2.044 10.602 -5.404 1.00 0.00 H new ATOM 0 HA LEU A 8 0.158 12.691 -6.161 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -1.258 12.222 -4.146 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -1.461 11.137 -5.507 1.00 0.00 H new ATOM 0 HG LEU A 8 -1.588 9.814 -3.580 1.00 0.00 H new ATOM 0 HD11 LEU A 8 0.333 8.284 -3.737 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -0.270 8.781 -5.335 1.00 0.00 H new ATOM 0 HD13 LEU A 8 1.216 9.507 -4.680 1.00 0.00 H new ATOM 0 HD21 LEU A 8 0.128 9.759 -1.805 1.00 0.00 H new ATOM 0 HD22 LEU A 8 0.992 11.086 -2.617 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -0.638 11.359 -1.956 1.00 0.00 H new ATOM 140 N MET A 9 0.897 14.049 -4.130 1.00 0.00 N ATOM 141 CA MET A 9 1.603 14.902 -3.189 1.00 0.00 C ATOM 142 C MET A 9 1.453 14.372 -1.775 1.00 0.00 C ATOM 143 O MET A 9 0.353 14.331 -1.226 1.00 0.00 O ATOM 144 CB MET A 9 1.086 16.335 -3.281 1.00 0.00 C ATOM 145 CG MET A 9 1.925 17.215 -4.194 1.00 0.00 C ATOM 146 SD MET A 9 2.870 18.459 -3.293 1.00 0.00 S ATOM 147 CE MET A 9 4.514 17.750 -3.374 1.00 0.00 C ATOM 0 H MET A 9 0.088 14.483 -4.575 1.00 0.00 H new ATOM 0 HA MET A 9 2.662 14.899 -3.446 1.00 0.00 H new ATOM 0 HB2 MET A 9 0.058 16.321 -3.644 1.00 0.00 H new ATOM 0 HB3 MET A 9 1.066 16.772 -2.283 1.00 0.00 H new ATOM 0 HG2 MET A 9 2.610 16.589 -4.765 1.00 0.00 H new ATOM 0 HG3 MET A 9 1.273 17.711 -4.912 1.00 0.00 H new ATOM 0 HE1 MET A 9 5.229 18.437 -2.922 1.00 0.00 H new ATOM 0 HE2 MET A 9 4.529 16.803 -2.834 1.00 0.00 H new ATOM 0 HE3 MET A 9 4.785 17.578 -4.416 1.00 0.00 H new ATOM 157 N LYS A 10 2.569 13.953 -1.194 1.00 0.00 N ATOM 158 CA LYS A 10 2.564 13.409 0.150 1.00 0.00 C ATOM 159 C LYS A 10 2.967 14.448 1.183 1.00 0.00 C ATOM 160 O LYS A 10 3.817 15.301 0.933 1.00 0.00 O ATOM 161 CB LYS A 10 3.498 12.207 0.241 1.00 0.00 C ATOM 162 CG LYS A 10 2.777 10.928 0.623 1.00 0.00 C ATOM 163 CD LYS A 10 2.535 10.867 2.124 1.00 0.00 C ATOM 164 CE LYS A 10 2.776 9.476 2.686 1.00 0.00 C ATOM 165 NZ LYS A 10 3.678 9.508 3.871 1.00 0.00 N ATOM 0 H LYS A 10 3.488 13.981 -1.636 1.00 0.00 H new ATOM 0 HA LYS A 10 1.543 13.095 0.367 1.00 0.00 H new ATOM 0 HB2 LYS A 10 3.995 12.066 -0.719 1.00 0.00 H new ATOM 0 HB3 LYS A 10 4.277 12.413 0.976 1.00 0.00 H new ATOM 0 HG2 LYS A 10 1.825 10.871 0.095 1.00 0.00 H new ATOM 0 HG3 LYS A 10 3.367 10.066 0.311 1.00 0.00 H new ATOM 0 HD2 LYS A 10 3.191 11.579 2.626 1.00 0.00 H new ATOM 0 HD3 LYS A 10 1.511 11.172 2.338 1.00 0.00 H new ATOM 0 HE2 LYS A 10 1.823 9.027 2.966 1.00 0.00 H new ATOM 0 HE3 LYS A 10 3.212 8.842 1.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 4.312 8.684 3.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 4.244 10.381 3.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 3.109 9.482 4.741 1.00 0.00 H new ATOM 179 N LYS A 11 2.355 14.346 2.352 1.00 0.00 N ATOM 180 CA LYS A 11 2.649 15.254 3.453 1.00 0.00 C ATOM 181 C LYS A 11 2.860 14.467 4.742 1.00 0.00 C ATOM 182 O LYS A 11 2.045 14.525 5.663 1.00 0.00 O ATOM 183 CB LYS A 11 1.517 16.266 3.631 1.00 0.00 C ATOM 184 CG LYS A 11 1.034 16.875 2.326 1.00 0.00 C ATOM 185 CD LYS A 11 2.051 17.849 1.755 1.00 0.00 C ATOM 186 CE LYS A 11 1.617 18.376 0.397 1.00 0.00 C ATOM 187 NZ LYS A 11 2.289 19.662 0.057 1.00 0.00 N ATOM 0 H LYS A 11 1.649 13.641 2.565 1.00 0.00 H new ATOM 0 HA LYS A 11 3.564 15.797 3.218 1.00 0.00 H new ATOM 0 HB2 LYS A 11 0.678 15.777 4.126 1.00 0.00 H new ATOM 0 HB3 LYS A 11 1.855 17.064 4.291 1.00 0.00 H new ATOM 0 HG2 LYS A 11 0.842 16.082 1.603 1.00 0.00 H new ATOM 0 HG3 LYS A 11 0.088 17.391 2.492 1.00 0.00 H new ATOM 0 HD2 LYS A 11 2.184 18.683 2.444 1.00 0.00 H new ATOM 0 HD3 LYS A 11 3.018 17.354 1.662 1.00 0.00 H new ATOM 0 HE2 LYS A 11 1.844 17.635 -0.369 1.00 0.00 H new ATOM 0 HE3 LYS A 11 0.536 18.519 0.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 2.608 19.636 -0.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 1.620 20.448 0.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 3.109 19.801 0.682 1.00 0.00 H new ATOM 201 N ALA A 12 3.965 13.727 4.793 1.00 0.00 N ATOM 202 CA ALA A 12 4.297 12.918 5.959 1.00 0.00 C ATOM 203 C ALA A 12 3.164 11.956 6.314 1.00 0.00 C ATOM 204 O ALA A 12 3.069 11.492 7.451 1.00 0.00 O ATOM 205 CB ALA A 12 4.623 13.814 7.146 1.00 0.00 C ATOM 0 H ALA A 12 4.647 13.672 4.036 1.00 0.00 H new ATOM 0 HA ALA A 12 5.175 12.320 5.713 1.00 0.00 H new ATOM 0 HB1 ALA A 12 4.869 13.197 8.010 1.00 0.00 H new ATOM 0 HB2 ALA A 12 5.474 14.449 6.899 1.00 0.00 H new ATOM 0 HB3 ALA A 12 3.760 14.437 7.379 1.00 0.00 H new ATOM 211 N GLY A 13 2.307 11.657 5.339 1.00 0.00 N ATOM 212 CA GLY A 13 1.198 10.749 5.579 1.00 0.00 C ATOM 213 C GLY A 13 -0.050 11.464 6.059 1.00 0.00 C ATOM 214 O GLY A 13 -0.064 12.039 7.147 1.00 0.00 O ATOM 0 H GLY A 13 2.361 12.027 4.390 1.00 0.00 H new ATOM 0 HA2 GLY A 13 0.971 10.208 4.660 1.00 0.00 H new ATOM 0 HA3 GLY A 13 1.495 10.007 6.321 1.00 0.00 H new ATOM 218 N LYS A 14 -1.102 11.425 5.247 1.00 0.00 N ATOM 219 CA LYS A 14 -2.361 12.075 5.595 1.00 0.00 C ATOM 220 C LYS A 14 -3.507 11.562 4.718 1.00 0.00 C ATOM 221 O LYS A 14 -4.123 10.539 5.015 1.00 0.00 O ATOM 222 CB LYS A 14 -2.232 13.596 5.462 1.00 0.00 C ATOM 223 CG LYS A 14 -1.309 14.040 4.338 1.00 0.00 C ATOM 224 CD LYS A 14 -1.709 15.404 3.800 1.00 0.00 C ATOM 225 CE LYS A 14 -1.647 16.470 4.883 1.00 0.00 C ATOM 226 NZ LYS A 14 -1.786 17.844 4.323 1.00 0.00 N ATOM 0 H LYS A 14 -1.108 10.951 4.344 1.00 0.00 H new ATOM 0 HA LYS A 14 -2.591 11.830 6.632 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -3.222 14.022 5.296 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -1.864 14.003 6.404 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -0.282 14.077 4.701 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -1.336 13.307 3.532 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -1.049 15.680 2.978 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -2.719 15.354 3.394 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -2.439 16.294 5.611 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -0.700 16.390 5.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -0.943 18.404 4.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -1.882 17.789 3.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -2.630 18.299 4.725 1.00 0.00 H new ATOM 240 N GLU A 15 -3.784 12.286 3.635 1.00 0.00 N ATOM 241 CA GLU A 15 -4.841 11.932 2.702 1.00 0.00 C ATOM 242 C GLU A 15 -4.504 10.666 1.911 1.00 0.00 C ATOM 243 O GLU A 15 -5.324 10.185 1.132 1.00 0.00 O ATOM 244 CB GLU A 15 -5.123 13.097 1.756 1.00 0.00 C ATOM 245 CG GLU A 15 -5.805 14.286 2.422 1.00 0.00 C ATOM 246 CD GLU A 15 -6.983 13.888 3.291 1.00 0.00 C ATOM 247 OE1 GLU A 15 -6.754 13.321 4.381 1.00 0.00 O ATOM 248 OE2 GLU A 15 -8.135 14.151 2.886 1.00 0.00 O ATOM 0 H GLU A 15 -3.278 13.135 3.383 1.00 0.00 H new ATOM 0 HA GLU A 15 -5.738 11.721 3.284 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -4.183 13.430 1.316 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -5.750 12.743 0.938 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -5.076 14.820 3.031 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -6.147 14.979 1.653 1.00 0.00 H new ATOM 255 N LEU A 16 -3.293 10.130 2.093 1.00 0.00 N ATOM 256 CA LEU A 16 -2.884 8.927 1.367 1.00 0.00 C ATOM 257 C LEU A 16 -4.012 7.902 1.397 1.00 0.00 C ATOM 258 O LEU A 16 -4.296 7.237 0.402 1.00 0.00 O ATOM 259 CB LEU A 16 -1.625 8.333 2.003 1.00 0.00 C ATOM 260 CG LEU A 16 -0.522 7.947 1.019 1.00 0.00 C ATOM 261 CD1 LEU A 16 0.433 9.108 0.818 1.00 0.00 C ATOM 262 CD2 LEU A 16 0.226 6.717 1.510 1.00 0.00 C ATOM 0 H LEU A 16 -2.588 10.505 2.728 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.665 9.192 0.333 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.221 9.054 2.713 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.908 7.448 2.573 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.981 7.706 0.060 1.00 0.00 H new ATOM 0 HD11 LEU A 16 1.214 8.819 0.115 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.113 9.964 0.422 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.886 9.376 1.773 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.008 6.457 0.796 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.676 6.928 2.480 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -0.469 5.883 1.606 1.00 0.00 H new ATOM 274 N GLY A 17 -4.677 7.829 2.541 1.00 0.00 N ATOM 275 CA GLY A 17 -5.811 6.942 2.717 1.00 0.00 C ATOM 276 C GLY A 17 -5.735 5.629 1.955 1.00 0.00 C ATOM 277 O GLY A 17 -6.626 5.319 1.163 1.00 0.00 O ATOM 0 H GLY A 17 -4.445 8.381 3.367 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -5.916 6.721 3.779 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -6.714 7.469 2.410 1.00 0.00 H new ATOM 281 N LEU A 18 -4.705 4.837 2.217 1.00 0.00 N ATOM 282 CA LEU A 18 -4.571 3.536 1.571 1.00 0.00 C ATOM 283 C LEU A 18 -3.991 2.523 2.551 1.00 0.00 C ATOM 284 O LEU A 18 -2.776 2.383 2.673 1.00 0.00 O ATOM 285 CB LEU A 18 -3.712 3.624 0.303 1.00 0.00 C ATOM 286 CG LEU A 18 -2.275 4.117 0.500 1.00 0.00 C ATOM 287 CD1 LEU A 18 -1.308 3.291 -0.333 1.00 0.00 C ATOM 288 CD2 LEU A 18 -2.166 5.585 0.128 1.00 0.00 C ATOM 0 H LEU A 18 -3.954 5.069 2.867 1.00 0.00 H new ATOM 0 HA LEU A 18 -5.564 3.203 1.268 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.677 2.637 -0.158 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.209 4.288 -0.404 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.012 4.001 1.551 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -0.292 3.656 -0.180 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -1.368 2.246 -0.030 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -1.570 3.378 -1.387 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.140 5.922 0.273 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.447 5.717 -0.917 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.833 6.171 0.760 1.00 0.00 H new ATOM 300 N SER A 19 -4.877 1.826 3.256 1.00 0.00 N ATOM 301 CA SER A 19 -4.461 0.830 4.235 1.00 0.00 C ATOM 302 C SER A 19 -3.710 -0.308 3.557 1.00 0.00 C ATOM 303 O SER A 19 -4.245 -0.975 2.672 1.00 0.00 O ATOM 304 CB SER A 19 -5.676 0.290 4.994 1.00 0.00 C ATOM 305 OG SER A 19 -5.454 -1.034 5.451 1.00 0.00 O ATOM 0 H SER A 19 -5.887 1.933 3.167 1.00 0.00 H new ATOM 0 HA SER A 19 -3.789 1.308 4.948 1.00 0.00 H new ATOM 0 HB2 SER A 19 -5.894 0.938 5.843 1.00 0.00 H new ATOM 0 HB3 SER A 19 -6.551 0.310 4.345 1.00 0.00 H new ATOM 0 HG SER A 19 -6.276 -1.383 5.855 1.00 0.00 H new ATOM 311 N LEU A 20 -2.463 -0.516 3.977 1.00 0.00 N ATOM 312 CA LEU A 20 -1.624 -1.565 3.406 1.00 0.00 C ATOM 313 C LEU A 20 -1.666 -2.837 4.247 1.00 0.00 C ATOM 314 O LEU A 20 -2.151 -2.836 5.378 1.00 0.00 O ATOM 315 CB LEU A 20 -0.175 -1.080 3.280 1.00 0.00 C ATOM 316 CG LEU A 20 0.011 0.346 2.755 1.00 0.00 C ATOM 317 CD1 LEU A 20 -0.961 0.643 1.625 1.00 0.00 C ATOM 318 CD2 LEU A 20 -0.148 1.355 3.882 1.00 0.00 C ATOM 0 H LEU A 20 -2.012 0.029 4.712 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.018 -1.796 2.416 1.00 0.00 H new ATOM 0 HB2 LEU A 20 0.297 -1.150 4.260 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.360 -1.762 2.619 1.00 0.00 H new ATOM 0 HG LEU A 20 1.022 0.431 2.357 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.807 1.662 1.271 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.791 -0.055 0.806 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.984 0.535 1.987 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.012 2.363 3.490 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.145 1.265 4.313 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.599 1.162 4.652 1.00 0.00 H new ATOM 330 N SER A 21 -1.141 -3.922 3.681 1.00 0.00 N ATOM 331 CA SER A 21 -1.100 -5.210 4.363 1.00 0.00 C ATOM 332 C SER A 21 0.205 -5.940 4.039 1.00 0.00 C ATOM 333 O SER A 21 0.892 -5.588 3.083 1.00 0.00 O ATOM 334 CB SER A 21 -2.300 -6.068 3.953 1.00 0.00 C ATOM 335 OG SER A 21 -3.418 -5.258 3.631 1.00 0.00 O ATOM 0 H SER A 21 -0.736 -3.932 2.745 1.00 0.00 H new ATOM 0 HA SER A 21 -1.147 -5.035 5.438 1.00 0.00 H new ATOM 0 HB2 SER A 21 -2.034 -6.685 3.095 1.00 0.00 H new ATOM 0 HB3 SER A 21 -2.560 -6.747 4.765 1.00 0.00 H new ATOM 0 HG SER A 21 -3.484 -5.163 2.658 1.00 0.00 H new ATOM 341 N PRO A 22 0.568 -6.961 4.833 1.00 0.00 N ATOM 342 CA PRO A 22 1.805 -7.724 4.614 1.00 0.00 C ATOM 343 C PRO A 22 1.731 -8.628 3.386 1.00 0.00 C ATOM 344 O PRO A 22 0.816 -9.440 3.255 1.00 0.00 O ATOM 345 CB PRO A 22 1.930 -8.562 5.887 1.00 0.00 C ATOM 346 CG PRO A 22 0.533 -8.717 6.379 1.00 0.00 C ATOM 347 CD PRO A 22 -0.183 -7.448 6.004 1.00 0.00 C ATOM 0 HA PRO A 22 2.657 -7.070 4.427 1.00 0.00 H new ATOM 0 HB2 PRO A 22 2.386 -9.530 5.680 1.00 0.00 H new ATOM 0 HB3 PRO A 22 2.557 -8.066 6.627 1.00 0.00 H new ATOM 0 HG2 PRO A 22 0.054 -9.584 5.925 1.00 0.00 H new ATOM 0 HG3 PRO A 22 0.514 -8.871 7.458 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -1.229 -7.634 5.761 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -0.170 -6.724 6.819 1.00 0.00 H new ATOM 355 N ASN A 23 2.705 -8.480 2.490 1.00 0.00 N ATOM 356 CA ASN A 23 2.756 -9.285 1.273 1.00 0.00 C ATOM 357 C ASN A 23 4.192 -9.674 0.932 1.00 0.00 C ATOM 358 O ASN A 23 5.145 -9.081 1.438 1.00 0.00 O ATOM 359 CB ASN A 23 2.128 -8.529 0.100 1.00 0.00 C ATOM 360 CG ASN A 23 0.986 -9.300 -0.529 1.00 0.00 C ATOM 361 OD1 ASN A 23 0.894 -9.412 -1.751 1.00 0.00 O ATOM 362 ND2 ASN A 23 0.109 -9.838 0.309 1.00 0.00 N ATOM 0 H ASN A 23 3.469 -7.810 2.584 1.00 0.00 H new ATOM 0 HA ASN A 23 2.185 -10.196 1.453 1.00 0.00 H new ATOM 0 HB2 ASN A 23 1.764 -7.561 0.446 1.00 0.00 H new ATOM 0 HB3 ASN A 23 2.890 -8.332 -0.654 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -0.682 -10.371 -0.053 1.00 0.00 H new ATOM 0 HD22 ASN A 23 0.226 -9.719 1.315 1.00 0.00 H new ATOM 369 N GLU A 24 4.336 -10.679 0.075 1.00 0.00 N ATOM 370 CA GLU A 24 5.652 -11.160 -0.336 1.00 0.00 C ATOM 371 C GLU A 24 6.254 -10.269 -1.419 1.00 0.00 C ATOM 372 O GLU A 24 7.472 -10.103 -1.491 1.00 0.00 O ATOM 373 CB GLU A 24 5.547 -12.596 -0.852 1.00 0.00 C ATOM 374 CG GLU A 24 4.565 -12.758 -2.000 1.00 0.00 C ATOM 375 CD GLU A 24 3.603 -13.911 -1.789 1.00 0.00 C ATOM 376 OE1 GLU A 24 4.072 -15.066 -1.701 1.00 0.00 O ATOM 377 OE2 GLU A 24 2.382 -13.661 -1.711 1.00 0.00 O ATOM 0 H GLU A 24 3.555 -11.179 -0.350 1.00 0.00 H new ATOM 0 HA GLU A 24 6.307 -11.131 0.535 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.532 -12.929 -1.178 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.245 -13.247 -0.032 1.00 0.00 H new ATOM 0 HG2 GLU A 24 3.998 -11.835 -2.121 1.00 0.00 H new ATOM 0 HG3 GLU A 24 5.118 -12.916 -2.926 1.00 0.00 H new ATOM 384 N ILE A 25 5.396 -9.709 -2.263 1.00 0.00 N ATOM 385 CA ILE A 25 5.847 -8.842 -3.351 1.00 0.00 C ATOM 386 C ILE A 25 5.694 -7.364 -3.001 1.00 0.00 C ATOM 387 O ILE A 25 6.139 -6.491 -3.746 1.00 0.00 O ATOM 388 CB ILE A 25 5.071 -9.135 -4.646 1.00 0.00 C ATOM 389 CG1 ILE A 25 3.573 -8.869 -4.441 1.00 0.00 C ATOM 390 CG2 ILE A 25 5.323 -10.570 -5.085 1.00 0.00 C ATOM 391 CD1 ILE A 25 2.677 -9.567 -5.442 1.00 0.00 C ATOM 0 H ILE A 25 4.385 -9.838 -2.217 1.00 0.00 H new ATOM 0 HA ILE A 25 6.905 -9.056 -3.503 1.00 0.00 H new ATOM 0 HB ILE A 25 5.422 -8.470 -5.435 1.00 0.00 H new ATOM 0 HG12 ILE A 25 3.293 -9.186 -3.436 1.00 0.00 H new ATOM 0 HG13 ILE A 25 3.395 -7.795 -4.497 1.00 0.00 H new ATOM 0 HG21 ILE A 25 4.771 -10.772 -6.003 1.00 0.00 H new ATOM 0 HG22 ILE A 25 6.389 -10.714 -5.263 1.00 0.00 H new ATOM 0 HG23 ILE A 25 4.990 -11.253 -4.304 1.00 0.00 H new ATOM 0 HD11 ILE A 25 1.636 -9.327 -5.227 1.00 0.00 H new ATOM 0 HD12 ILE A 25 2.926 -9.232 -6.449 1.00 0.00 H new ATOM 0 HD13 ILE A 25 2.823 -10.645 -5.371 1.00 0.00 H new ATOM 403 N GLY A 26 5.063 -7.087 -1.867 1.00 0.00 N ATOM 404 CA GLY A 26 4.866 -5.717 -1.442 1.00 0.00 C ATOM 405 C GLY A 26 3.873 -5.617 -0.308 1.00 0.00 C ATOM 406 O GLY A 26 4.010 -6.305 0.705 1.00 0.00 O ATOM 0 H GLY A 26 4.683 -7.790 -1.233 1.00 0.00 H new ATOM 0 HA2 GLY A 26 5.820 -5.294 -1.128 1.00 0.00 H new ATOM 0 HA3 GLY A 26 4.515 -5.122 -2.285 1.00 0.00 H new ATOM 410 N CYS A 27 2.866 -4.770 -0.470 1.00 0.00 N ATOM 411 CA CYS A 27 1.853 -4.604 0.561 1.00 0.00 C ATOM 412 C CYS A 27 0.460 -4.450 -0.039 1.00 0.00 C ATOM 413 O CYS A 27 0.121 -3.401 -0.587 1.00 0.00 O ATOM 414 CB CYS A 27 2.179 -3.401 1.443 1.00 0.00 C ATOM 415 SG CYS A 27 3.720 -3.566 2.373 1.00 0.00 S ATOM 0 H CYS A 27 2.730 -4.192 -1.299 1.00 0.00 H new ATOM 0 HA CYS A 27 1.858 -5.507 1.172 1.00 0.00 H new ATOM 0 HB2 CYS A 27 2.238 -2.510 0.817 1.00 0.00 H new ATOM 0 HB3 CYS A 27 1.359 -3.245 2.144 1.00 0.00 H new ATOM 0 HG CYS A 27 4.683 -2.980 1.725 1.00 0.00 H new ATOM 421 N THR A 28 -0.348 -5.497 0.082 1.00 0.00 N ATOM 422 CA THR A 28 -1.711 -5.477 -0.435 1.00 0.00 C ATOM 423 C THR A 28 -2.537 -4.423 0.293 1.00 0.00 C ATOM 424 O THR A 28 -2.507 -4.341 1.520 1.00 0.00 O ATOM 425 CB THR A 28 -2.366 -6.852 -0.269 1.00 0.00 C ATOM 426 OG1 THR A 28 -1.700 -7.828 -1.049 1.00 0.00 O ATOM 427 CG2 THR A 28 -3.831 -6.875 -0.658 1.00 0.00 C ATOM 0 H THR A 28 -0.082 -6.372 0.534 1.00 0.00 H new ATOM 0 HA THR A 28 -1.672 -5.229 -1.496 1.00 0.00 H new ATOM 0 HB THR A 28 -2.286 -7.076 0.795 1.00 0.00 H new ATOM 0 HG1 THR A 28 -2.135 -8.698 -0.926 1.00 0.00 H new ATOM 0 HG21 THR A 28 -4.230 -7.879 -0.515 1.00 0.00 H new ATOM 0 HG22 THR A 28 -4.384 -6.173 -0.034 1.00 0.00 H new ATOM 0 HG23 THR A 28 -3.934 -6.589 -1.705 1.00 0.00 H new ATOM 435 N ILE A 29 -3.277 -3.622 -0.463 1.00 0.00 N ATOM 436 CA ILE A 29 -4.109 -2.587 0.128 1.00 0.00 C ATOM 437 C ILE A 29 -5.308 -3.208 0.836 1.00 0.00 C ATOM 438 O ILE A 29 -6.260 -3.654 0.194 1.00 0.00 O ATOM 439 CB ILE A 29 -4.601 -1.581 -0.933 1.00 0.00 C ATOM 440 CG1 ILE A 29 -3.409 -0.940 -1.646 1.00 0.00 C ATOM 441 CG2 ILE A 29 -5.479 -0.513 -0.294 1.00 0.00 C ATOM 442 CD1 ILE A 29 -3.764 -0.321 -2.980 1.00 0.00 C ATOM 0 H ILE A 29 -3.317 -3.670 -1.481 1.00 0.00 H new ATOM 0 HA ILE A 29 -3.496 -2.050 0.852 1.00 0.00 H new ATOM 0 HB ILE A 29 -5.200 -2.118 -1.669 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -2.980 -0.173 -1.001 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -2.638 -1.695 -1.799 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -5.816 0.187 -1.059 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -6.344 -0.984 0.173 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -4.906 0.024 0.462 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -2.871 0.114 -3.428 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -4.165 -1.088 -3.642 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -4.512 0.458 -2.832 1.00 0.00 H new ATOM 454 N ALA A 30 -5.253 -3.235 2.163 1.00 0.00 N ATOM 455 CA ALA A 30 -6.329 -3.802 2.960 1.00 0.00 C ATOM 456 C ALA A 30 -7.585 -2.947 2.875 1.00 0.00 C ATOM 457 O ALA A 30 -8.702 -3.463 2.928 1.00 0.00 O ATOM 458 CB ALA A 30 -5.890 -3.954 4.409 1.00 0.00 C ATOM 0 H ALA A 30 -4.472 -2.870 2.708 1.00 0.00 H new ATOM 0 HA ALA A 30 -6.564 -4.787 2.557 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -6.706 -4.380 4.994 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -5.024 -4.614 4.460 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -5.625 -2.977 4.813 1.00 0.00 H new ATOM 464 N ASP A 31 -7.401 -1.638 2.745 1.00 0.00 N ATOM 465 CA ASP A 31 -8.535 -0.723 2.655 1.00 0.00 C ATOM 466 C ASP A 31 -8.147 0.579 1.967 1.00 0.00 C ATOM 467 O ASP A 31 -6.980 0.806 1.650 1.00 0.00 O ATOM 468 CB ASP A 31 -9.088 -0.421 4.048 1.00 0.00 C ATOM 469 CG ASP A 31 -10.281 -1.289 4.395 1.00 0.00 C ATOM 470 OD1 ASP A 31 -10.075 -2.474 4.735 1.00 0.00 O ATOM 471 OD2 ASP A 31 -11.422 -0.784 4.329 1.00 0.00 O ATOM 0 H ASP A 31 -6.486 -1.189 2.700 1.00 0.00 H new ATOM 0 HA ASP A 31 -9.304 -1.212 2.057 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -8.303 -0.574 4.789 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -9.377 0.628 4.102 1.00 0.00 H new ATOM 476 N LEU A 32 -9.142 1.430 1.742 1.00 0.00 N ATOM 477 CA LEU A 32 -8.921 2.707 1.096 1.00 0.00 C ATOM 478 C LEU A 32 -10.016 3.707 1.446 1.00 0.00 C ATOM 479 O LEU A 32 -11.205 3.419 1.308 1.00 0.00 O ATOM 480 CB LEU A 32 -8.846 2.520 -0.418 1.00 0.00 C ATOM 481 CG LEU A 32 -7.556 3.026 -1.044 1.00 0.00 C ATOM 482 CD1 LEU A 32 -6.861 1.919 -1.823 1.00 0.00 C ATOM 483 CD2 LEU A 32 -7.823 4.227 -1.939 1.00 0.00 C ATOM 0 H LEU A 32 -10.112 1.252 2.001 1.00 0.00 H new ATOM 0 HA LEU A 32 -7.975 3.108 1.459 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -8.957 1.460 -0.648 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -9.688 3.037 -0.879 1.00 0.00 H new ATOM 0 HG LEU A 32 -6.893 3.343 -0.239 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.941 2.305 -2.261 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.624 1.094 -1.151 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -7.519 1.563 -2.616 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -6.885 4.571 -2.375 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -8.511 3.942 -2.735 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -8.265 5.030 -1.349 1.00 0.00 H new ATOM 495 N ILE A 33 -9.603 4.892 1.884 1.00 0.00 N ATOM 496 CA ILE A 33 -10.544 5.946 2.232 1.00 0.00 C ATOM 497 C ILE A 33 -10.630 6.963 1.104 1.00 0.00 C ATOM 498 O ILE A 33 -9.763 7.822 0.955 1.00 0.00 O ATOM 499 CB ILE A 33 -10.148 6.662 3.543 1.00 0.00 C ATOM 500 CG1 ILE A 33 -8.695 7.132 3.490 1.00 0.00 C ATOM 501 CG2 ILE A 33 -10.368 5.757 4.732 1.00 0.00 C ATOM 502 CD1 ILE A 33 -8.174 7.649 4.814 1.00 0.00 C ATOM 0 H ILE A 33 -8.622 5.145 2.006 1.00 0.00 H new ATOM 0 HA ILE A 33 -11.516 5.478 2.384 1.00 0.00 H new ATOM 0 HB ILE A 33 -10.786 7.539 3.654 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -8.067 6.305 3.160 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -8.604 7.919 2.741 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -10.083 6.280 5.645 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -11.420 5.478 4.787 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -9.760 4.859 4.623 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -7.137 7.964 4.699 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -8.778 8.497 5.136 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -8.232 6.858 5.562 1.00 0.00 H new ATOM 514 N GLN A 34 -11.678 6.848 0.300 1.00 0.00 N ATOM 515 CA GLN A 34 -11.873 7.746 -0.830 1.00 0.00 C ATOM 516 C GLN A 34 -12.241 9.148 -0.357 1.00 0.00 C ATOM 517 O GLN A 34 -12.781 9.324 0.735 1.00 0.00 O ATOM 518 CB GLN A 34 -12.946 7.189 -1.763 1.00 0.00 C ATOM 519 CG GLN A 34 -12.580 5.834 -2.347 1.00 0.00 C ATOM 520 CD GLN A 34 -13.635 5.303 -3.299 1.00 0.00 C ATOM 521 OE1 GLN A 34 -14.731 5.855 -3.400 1.00 0.00 O ATOM 522 NE2 GLN A 34 -13.308 4.225 -4.003 1.00 0.00 N ATOM 0 H GLN A 34 -12.406 6.142 0.409 1.00 0.00 H new ATOM 0 HA GLN A 34 -10.935 7.818 -1.380 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -13.885 7.101 -1.216 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -13.115 7.895 -2.576 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -11.629 5.915 -2.873 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -12.436 5.120 -1.536 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -12.388 3.800 -3.887 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -13.977 3.822 -4.659 1.00 0.00 H new ATOM 531 N GLY A 35 -11.924 10.142 -1.180 1.00 0.00 N ATOM 532 CA GLY A 35 -12.206 11.519 -0.823 1.00 0.00 C ATOM 533 C GLY A 35 -10.991 12.203 -0.224 1.00 0.00 C ATOM 534 O GLY A 35 -10.888 13.429 -0.236 1.00 0.00 O ATOM 0 H GLY A 35 -11.477 10.018 -2.088 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -12.532 12.065 -1.708 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -13.029 11.549 -0.109 1.00 0.00 H new ATOM 538 N GLN A 36 -10.067 11.398 0.293 1.00 0.00 N ATOM 539 CA GLN A 36 -8.842 11.908 0.897 1.00 0.00 C ATOM 540 C GLN A 36 -7.920 12.494 -0.163 1.00 0.00 C ATOM 541 O GLN A 36 -7.479 13.638 -0.049 1.00 0.00 O ATOM 542 CB GLN A 36 -8.140 10.789 1.671 1.00 0.00 C ATOM 543 CG GLN A 36 -8.581 10.680 3.120 1.00 0.00 C ATOM 544 CD GLN A 36 -10.085 10.550 3.263 1.00 0.00 C ATOM 545 OE1 GLN A 36 -10.683 9.578 2.801 1.00 0.00 O ATOM 546 NE2 GLN A 36 -10.705 11.532 3.907 1.00 0.00 N ATOM 0 H GLN A 36 -10.146 10.381 0.305 1.00 0.00 H new ATOM 0 HA GLN A 36 -9.099 12.707 1.592 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -8.329 9.839 1.171 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -7.064 10.957 1.640 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -8.100 9.816 3.578 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -8.242 11.560 3.666 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -10.170 12.319 4.274 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -11.716 11.499 4.035 1.00 0.00 H new ATOM 555 N TYR A 37 -7.639 11.714 -1.196 1.00 0.00 N ATOM 556 CA TYR A 37 -6.775 12.172 -2.275 1.00 0.00 C ATOM 557 C TYR A 37 -7.394 11.852 -3.634 1.00 0.00 C ATOM 558 O TYR A 37 -7.970 10.781 -3.827 1.00 0.00 O ATOM 559 CB TYR A 37 -5.395 11.527 -2.158 1.00 0.00 C ATOM 560 CG TYR A 37 -4.373 12.353 -1.398 1.00 0.00 C ATOM 561 CD1 TYR A 37 -4.368 13.743 -1.458 1.00 0.00 C ATOM 562 CD2 TYR A 37 -3.391 11.730 -0.638 1.00 0.00 C ATOM 563 CE1 TYR A 37 -3.410 14.481 -0.784 1.00 0.00 C ATOM 564 CE2 TYR A 37 -2.436 12.460 0.041 1.00 0.00 C ATOM 565 CZ TYR A 37 -2.447 13.837 -0.038 1.00 0.00 C ATOM 566 OH TYR A 37 -1.495 14.570 0.633 1.00 0.00 O ATOM 0 H TYR A 37 -7.995 10.765 -1.310 1.00 0.00 H new ATOM 0 HA TYR A 37 -6.666 13.253 -2.192 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -5.501 10.561 -1.665 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -5.013 11.333 -3.160 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -5.122 14.254 -2.039 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -3.374 10.652 -0.577 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -3.417 15.559 -0.843 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -1.685 11.956 0.631 1.00 0.00 H new ATOM 0 HH TYR A 37 -0.785 14.831 0.011 1.00 0.00 H new ATOM 576 N PRO A 38 -7.294 12.787 -4.595 1.00 0.00 N ATOM 577 CA PRO A 38 -7.857 12.606 -5.937 1.00 0.00 C ATOM 578 C PRO A 38 -7.118 11.553 -6.760 1.00 0.00 C ATOM 579 O PRO A 38 -7.740 10.682 -7.366 1.00 0.00 O ATOM 580 CB PRO A 38 -7.699 13.988 -6.577 1.00 0.00 C ATOM 581 CG PRO A 38 -6.564 14.618 -5.851 1.00 0.00 C ATOM 582 CD PRO A 38 -6.631 14.098 -4.444 1.00 0.00 C ATOM 0 HA PRO A 38 -8.886 12.249 -5.893 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -7.490 13.908 -7.644 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -8.610 14.578 -6.474 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -5.613 14.361 -6.317 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -6.645 15.705 -5.869 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -5.638 13.998 -4.005 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -7.201 14.764 -3.796 1.00 0.00 H new ATOM 590 N GLU A 39 -5.792 11.643 -6.787 1.00 0.00 N ATOM 591 CA GLU A 39 -4.980 10.696 -7.547 1.00 0.00 C ATOM 592 C GLU A 39 -5.176 9.276 -7.034 1.00 0.00 C ATOM 593 O GLU A 39 -5.412 8.353 -7.812 1.00 0.00 O ATOM 594 CB GLU A 39 -3.500 11.079 -7.466 1.00 0.00 C ATOM 595 CG GLU A 39 -3.196 12.453 -8.042 1.00 0.00 C ATOM 596 CD GLU A 39 -2.804 13.459 -6.978 1.00 0.00 C ATOM 597 OE1 GLU A 39 -3.540 13.580 -5.975 1.00 0.00 O ATOM 598 OE2 GLU A 39 -1.761 14.125 -7.144 1.00 0.00 O ATOM 0 H GLU A 39 -5.258 12.358 -6.294 1.00 0.00 H new ATOM 0 HA GLU A 39 -5.303 10.735 -8.587 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -3.183 11.053 -6.424 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -2.910 10.332 -7.998 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -2.389 12.367 -8.770 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -4.071 12.820 -8.578 1.00 0.00 H new ATOM 605 N ILE A 40 -5.071 9.108 -5.721 1.00 0.00 N ATOM 606 CA ILE A 40 -5.235 7.798 -5.103 1.00 0.00 C ATOM 607 C ILE A 40 -6.599 7.202 -5.428 1.00 0.00 C ATOM 608 O ILE A 40 -6.697 6.056 -5.869 1.00 0.00 O ATOM 609 CB ILE A 40 -5.068 7.880 -3.575 1.00 0.00 C ATOM 610 CG1 ILE A 40 -3.814 8.693 -3.229 1.00 0.00 C ATOM 611 CG2 ILE A 40 -4.996 6.479 -2.979 1.00 0.00 C ATOM 612 CD1 ILE A 40 -3.350 8.525 -1.802 1.00 0.00 C ATOM 0 H ILE A 40 -4.873 9.863 -5.064 1.00 0.00 H new ATOM 0 HA ILE A 40 -4.458 7.152 -5.512 1.00 0.00 H new ATOM 0 HB ILE A 40 -5.933 8.386 -3.145 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -3.007 8.400 -3.900 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -4.015 9.748 -3.414 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -4.878 6.549 -1.898 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -5.914 5.938 -3.209 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -4.145 5.946 -3.403 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -2.459 9.131 -1.635 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -4.140 8.846 -1.123 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -3.116 7.477 -1.617 1.00 0.00 H new ATOM 624 N ASP A 41 -7.649 7.989 -5.222 1.00 0.00 N ATOM 625 CA ASP A 41 -9.008 7.539 -5.509 1.00 0.00 C ATOM 626 C ASP A 41 -9.152 7.186 -6.987 1.00 0.00 C ATOM 627 O ASP A 41 -9.937 6.314 -7.356 1.00 0.00 O ATOM 628 CB ASP A 41 -10.019 8.621 -5.128 1.00 0.00 C ATOM 629 CG ASP A 41 -11.445 8.104 -5.122 1.00 0.00 C ATOM 630 OD1 ASP A 41 -11.698 7.054 -5.749 1.00 0.00 O ATOM 631 OD2 ASP A 41 -12.307 8.748 -4.490 1.00 0.00 O ATOM 0 H ASP A 41 -7.587 8.940 -4.858 1.00 0.00 H new ATOM 0 HA ASP A 41 -9.207 6.647 -4.915 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -9.773 9.013 -4.141 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -9.940 9.452 -5.829 1.00 0.00 H new ATOM 636 N SER A 42 -8.380 7.872 -7.825 1.00 0.00 N ATOM 637 CA SER A 42 -8.408 7.640 -9.266 1.00 0.00 C ATOM 638 C SER A 42 -7.310 6.669 -9.688 1.00 0.00 C ATOM 639 O SER A 42 -7.179 6.343 -10.868 1.00 0.00 O ATOM 640 CB SER A 42 -8.228 8.961 -10.011 1.00 0.00 C ATOM 641 OG SER A 42 -9.454 9.664 -10.117 1.00 0.00 O ATOM 0 H SER A 42 -7.725 8.596 -7.529 1.00 0.00 H new ATOM 0 HA SER A 42 -9.375 7.203 -9.517 1.00 0.00 H new ATOM 0 HB2 SER A 42 -7.496 9.578 -9.490 1.00 0.00 H new ATOM 0 HB3 SER A 42 -7.830 8.768 -11.007 1.00 0.00 H new ATOM 0 HG SER A 42 -9.308 10.506 -10.597 1.00 0.00 H new ATOM 647 N LYS A 43 -6.509 6.224 -8.725 1.00 0.00 N ATOM 648 CA LYS A 43 -5.412 5.313 -9.009 1.00 0.00 C ATOM 649 C LYS A 43 -5.515 4.039 -8.177 1.00 0.00 C ATOM 650 O LYS A 43 -5.843 2.973 -8.697 1.00 0.00 O ATOM 651 CB LYS A 43 -4.079 6.010 -8.732 1.00 0.00 C ATOM 652 CG LYS A 43 -3.707 7.033 -9.789 1.00 0.00 C ATOM 653 CD LYS A 43 -2.422 6.666 -10.513 1.00 0.00 C ATOM 654 CE LYS A 43 -2.705 6.176 -11.925 1.00 0.00 C ATOM 655 NZ LYS A 43 -1.543 6.387 -12.831 1.00 0.00 N ATOM 0 H LYS A 43 -6.601 6.481 -7.742 1.00 0.00 H new ATOM 0 HA LYS A 43 -5.468 5.031 -10.060 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -4.129 6.503 -7.761 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -3.291 5.260 -8.669 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -4.518 7.118 -10.512 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -3.593 8.011 -9.322 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.763 7.534 -10.552 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -1.896 5.891 -9.955 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -2.956 5.116 -11.897 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -3.575 6.699 -12.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -1.646 5.785 -13.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -1.506 7.385 -13.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -0.665 6.138 -12.333 1.00 0.00 H new ATOM 669 N LEU A 44 -5.224 4.158 -6.887 1.00 0.00 N ATOM 670 CA LEU A 44 -5.270 3.013 -5.987 1.00 0.00 C ATOM 671 C LEU A 44 -6.704 2.596 -5.681 1.00 0.00 C ATOM 672 O LEU A 44 -7.610 3.428 -5.632 1.00 0.00 O ATOM 673 CB LEU A 44 -4.530 3.334 -4.688 1.00 0.00 C ATOM 674 CG LEU A 44 -3.044 3.657 -4.858 1.00 0.00 C ATOM 675 CD1 LEU A 44 -2.366 3.780 -3.502 1.00 0.00 C ATOM 676 CD2 LEU A 44 -2.359 2.592 -5.701 1.00 0.00 C ATOM 0 H LEU A 44 -4.954 5.035 -6.442 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.779 2.178 -6.487 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -5.019 4.182 -4.208 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -4.628 2.485 -4.012 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.958 4.613 -5.374 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.310 4.010 -3.643 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.838 4.579 -2.930 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.463 2.839 -2.960 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.303 2.839 -5.811 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.456 1.623 -5.212 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -2.826 2.550 -6.685 1.00 0.00 H new ATOM 688 N GLN A 45 -6.896 1.297 -5.474 1.00 0.00 N ATOM 689 CA GLN A 45 -8.211 0.750 -5.169 1.00 0.00 C ATOM 690 C GLN A 45 -8.088 -0.479 -4.275 1.00 0.00 C ATOM 691 O GLN A 45 -7.040 -1.123 -4.230 1.00 0.00 O ATOM 692 CB GLN A 45 -8.948 0.389 -6.461 1.00 0.00 C ATOM 693 CG GLN A 45 -10.405 0.824 -6.472 1.00 0.00 C ATOM 694 CD GLN A 45 -11.342 -0.287 -6.906 1.00 0.00 C ATOM 695 OE1 GLN A 45 -11.144 -1.453 -6.562 1.00 0.00 O ATOM 696 NE2 GLN A 45 -12.372 0.071 -7.665 1.00 0.00 N ATOM 0 H GLN A 45 -6.152 0.601 -5.513 1.00 0.00 H new ATOM 0 HA GLN A 45 -8.783 1.510 -4.636 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -8.433 0.850 -7.304 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -8.898 -0.690 -6.609 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -10.687 1.163 -5.475 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -10.521 1.675 -7.143 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -12.497 1.049 -7.926 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -13.037 -0.632 -7.987 1.00 0.00 H new ATOM 705 N ARG A 46 -9.163 -0.799 -3.561 1.00 0.00 N ATOM 706 CA ARG A 46 -9.171 -1.949 -2.665 1.00 0.00 C ATOM 707 C ARG A 46 -8.893 -3.241 -3.428 1.00 0.00 C ATOM 708 O ARG A 46 -9.799 -3.834 -4.014 1.00 0.00 O ATOM 709 CB ARG A 46 -10.514 -2.048 -1.941 1.00 0.00 C ATOM 710 CG ARG A 46 -10.636 -1.104 -0.755 1.00 0.00 C ATOM 711 CD ARG A 46 -11.954 -1.296 -0.019 1.00 0.00 C ATOM 712 NE ARG A 46 -12.263 -2.708 0.197 1.00 0.00 N ATOM 713 CZ ARG A 46 -12.929 -3.468 -0.673 1.00 0.00 C ATOM 714 NH1 ARG A 46 -13.357 -2.959 -1.821 1.00 0.00 N ATOM 715 NH2 ARG A 46 -13.165 -4.742 -0.391 1.00 0.00 N ATOM 0 H ARG A 46 -10.039 -0.278 -3.586 1.00 0.00 H new ATOM 0 HA ARG A 46 -8.379 -1.808 -1.930 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -11.315 -1.835 -2.648 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -10.657 -3.072 -1.596 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -9.807 -1.273 -0.068 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -10.558 -0.073 -1.100 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -11.910 -0.784 0.942 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -12.758 -0.833 -0.590 1.00 0.00 H new ATOM 0 HE ARG A 46 -11.950 -3.139 1.067 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -13.177 -1.980 -2.043 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -13.866 -3.547 -2.481 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -12.837 -5.139 0.490 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -13.674 -5.325 -1.055 1.00 0.00 H new ATOM 729 N GLY A 47 -7.636 -3.675 -3.414 1.00 0.00 N ATOM 730 CA GLY A 47 -7.265 -4.896 -4.105 1.00 0.00 C ATOM 731 C GLY A 47 -6.032 -4.727 -4.972 1.00 0.00 C ATOM 732 O GLY A 47 -5.993 -5.206 -6.105 1.00 0.00 O ATOM 0 H GLY A 47 -6.868 -3.203 -2.936 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -7.084 -5.682 -3.372 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -8.098 -5.225 -4.726 1.00 0.00 H new ATOM 736 N ASP A 48 -5.023 -4.045 -4.439 1.00 0.00 N ATOM 737 CA ASP A 48 -3.782 -3.817 -5.172 1.00 0.00 C ATOM 738 C ASP A 48 -2.576 -3.953 -4.246 1.00 0.00 C ATOM 739 O ASP A 48 -2.613 -3.514 -3.097 1.00 0.00 O ATOM 740 CB ASP A 48 -3.796 -2.431 -5.821 1.00 0.00 C ATOM 741 CG ASP A 48 -3.984 -2.499 -7.324 1.00 0.00 C ATOM 742 OD1 ASP A 48 -4.969 -3.123 -7.771 1.00 0.00 O ATOM 743 OD2 ASP A 48 -3.146 -1.926 -8.054 1.00 0.00 O ATOM 0 H ASP A 48 -5.040 -3.641 -3.503 1.00 0.00 H new ATOM 0 HA ASP A 48 -3.702 -4.572 -5.955 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -4.598 -1.836 -5.384 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -2.860 -1.918 -5.597 1.00 0.00 H new ATOM 748 N ILE A 49 -1.511 -4.567 -4.751 1.00 0.00 N ATOM 749 CA ILE A 49 -0.298 -4.762 -3.963 1.00 0.00 C ATOM 750 C ILE A 49 0.818 -3.843 -4.439 1.00 0.00 C ATOM 751 O ILE A 49 1.277 -3.947 -5.576 1.00 0.00 O ATOM 752 CB ILE A 49 0.208 -6.219 -4.033 1.00 0.00 C ATOM 753 CG1 ILE A 49 -0.961 -7.205 -4.132 1.00 0.00 C ATOM 754 CG2 ILE A 49 1.075 -6.534 -2.825 1.00 0.00 C ATOM 755 CD1 ILE A 49 -0.566 -8.555 -4.686 1.00 0.00 C ATOM 0 H ILE A 49 -1.463 -4.938 -5.700 1.00 0.00 H new ATOM 0 HA ILE A 49 -0.562 -4.525 -2.932 1.00 0.00 H new ATOM 0 HB ILE A 49 0.812 -6.327 -4.934 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -1.396 -7.341 -3.142 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.737 -6.774 -4.765 1.00 0.00 H new ATOM 0 HG21 ILE A 49 1.425 -7.564 -2.887 1.00 0.00 H new ATOM 0 HG22 ILE A 49 1.932 -5.860 -2.806 1.00 0.00 H new ATOM 0 HG23 ILE A 49 0.491 -6.404 -1.914 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.442 -9.202 -4.728 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -0.158 -8.431 -5.689 1.00 0.00 H new ATOM 0 HD13 ILE A 49 0.188 -9.007 -4.041 1.00 0.00 H new ATOM 767 N ILE A 50 1.265 -2.951 -3.561 1.00 0.00 N ATOM 768 CA ILE A 50 2.340 -2.031 -3.906 1.00 0.00 C ATOM 769 C ILE A 50 3.677 -2.754 -3.911 1.00 0.00 C ATOM 770 O ILE A 50 4.271 -2.995 -2.859 1.00 0.00 O ATOM 771 CB ILE A 50 2.409 -0.843 -2.930 1.00 0.00 C ATOM 772 CG1 ILE A 50 1.031 -0.201 -2.778 1.00 0.00 C ATOM 773 CG2 ILE A 50 3.426 0.182 -3.413 1.00 0.00 C ATOM 774 CD1 ILE A 50 0.798 0.405 -1.416 1.00 0.00 C ATOM 0 H ILE A 50 0.902 -2.847 -2.613 1.00 0.00 H new ATOM 0 HA ILE A 50 2.126 -1.646 -4.903 1.00 0.00 H new ATOM 0 HB ILE A 50 2.728 -1.211 -1.955 1.00 0.00 H new ATOM 0 HG12 ILE A 50 0.914 0.573 -3.537 1.00 0.00 H new ATOM 0 HG13 ILE A 50 0.265 -0.953 -2.969 1.00 0.00 H new ATOM 0 HG21 ILE A 50 3.463 1.016 -2.712 1.00 0.00 H new ATOM 0 HG22 ILE A 50 4.410 -0.283 -3.476 1.00 0.00 H new ATOM 0 HG23 ILE A 50 3.134 0.548 -4.397 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -0.200 0.843 -1.378 1.00 0.00 H new ATOM 0 HD12 ILE A 50 0.883 -0.369 -0.654 1.00 0.00 H new ATOM 0 HD13 ILE A 50 1.542 1.180 -1.231 1.00 0.00 H new ATOM 786 N THR A 51 4.143 -3.101 -5.101 1.00 0.00 N ATOM 787 CA THR A 51 5.410 -3.806 -5.251 1.00 0.00 C ATOM 788 C THR A 51 6.520 -2.853 -5.691 1.00 0.00 C ATOM 789 O THR A 51 7.523 -3.272 -6.268 1.00 0.00 O ATOM 790 CB THR A 51 5.266 -4.949 -6.259 1.00 0.00 C ATOM 791 OG1 THR A 51 5.278 -4.451 -7.586 1.00 0.00 O ATOM 792 CG2 THR A 51 3.992 -5.749 -6.081 1.00 0.00 C ATOM 0 H THR A 51 3.663 -2.906 -5.980 1.00 0.00 H new ATOM 0 HA THR A 51 5.682 -4.221 -4.281 1.00 0.00 H new ATOM 0 HB THR A 51 6.116 -5.605 -6.074 1.00 0.00 H new ATOM 0 HG1 THR A 51 5.186 -5.196 -8.216 1.00 0.00 H new ATOM 0 HG21 THR A 51 3.953 -6.543 -6.827 1.00 0.00 H new ATOM 0 HG22 THR A 51 3.974 -6.188 -5.083 1.00 0.00 H new ATOM 0 HG23 THR A 51 3.130 -5.093 -6.204 1.00 0.00 H new ATOM 800 N LYS A 52 6.331 -1.570 -5.404 1.00 0.00 N ATOM 801 CA LYS A 52 7.305 -0.543 -5.754 1.00 0.00 C ATOM 802 C LYS A 52 6.932 0.775 -5.091 1.00 0.00 C ATOM 803 O LYS A 52 5.761 1.154 -5.061 1.00 0.00 O ATOM 804 CB LYS A 52 7.386 -0.365 -7.272 1.00 0.00 C ATOM 805 CG LYS A 52 8.763 -0.658 -7.845 1.00 0.00 C ATOM 806 CD LYS A 52 9.078 0.244 -9.028 1.00 0.00 C ATOM 807 CE LYS A 52 10.296 -0.249 -9.794 1.00 0.00 C ATOM 808 NZ LYS A 52 10.667 0.676 -10.901 1.00 0.00 N ATOM 0 H LYS A 52 5.504 -1.214 -4.925 1.00 0.00 H new ATOM 0 HA LYS A 52 8.284 -0.859 -5.394 1.00 0.00 H new ATOM 0 HB2 LYS A 52 6.657 -1.022 -7.746 1.00 0.00 H new ATOM 0 HB3 LYS A 52 7.106 0.658 -7.525 1.00 0.00 H new ATOM 0 HG2 LYS A 52 9.517 -0.520 -7.070 1.00 0.00 H new ATOM 0 HG3 LYS A 52 8.814 -1.701 -8.158 1.00 0.00 H new ATOM 0 HD2 LYS A 52 8.218 0.284 -9.696 1.00 0.00 H new ATOM 0 HD3 LYS A 52 9.255 1.260 -8.676 1.00 0.00 H new ATOM 0 HE2 LYS A 52 11.138 -0.352 -9.110 1.00 0.00 H new ATOM 0 HE3 LYS A 52 10.093 -1.239 -10.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 11.501 0.305 -11.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 9.873 0.755 -11.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 10.886 1.615 -10.510 1.00 0.00 H new ATOM 822 N PHE A 53 7.925 1.464 -4.546 1.00 0.00 N ATOM 823 CA PHE A 53 7.682 2.729 -3.870 1.00 0.00 C ATOM 824 C PHE A 53 8.836 3.704 -4.088 1.00 0.00 C ATOM 825 O PHE A 53 9.961 3.459 -3.651 1.00 0.00 O ATOM 826 CB PHE A 53 7.474 2.474 -2.377 1.00 0.00 C ATOM 827 CG PHE A 53 7.236 3.713 -1.571 1.00 0.00 C ATOM 828 CD1 PHE A 53 8.300 4.493 -1.149 1.00 0.00 C ATOM 829 CD2 PHE A 53 5.950 4.091 -1.228 1.00 0.00 C ATOM 830 CE1 PHE A 53 8.082 5.629 -0.399 1.00 0.00 C ATOM 831 CE2 PHE A 53 5.727 5.226 -0.478 1.00 0.00 C ATOM 832 CZ PHE A 53 6.793 5.997 -0.063 1.00 0.00 C ATOM 0 H PHE A 53 8.902 1.170 -4.559 1.00 0.00 H new ATOM 0 HA PHE A 53 6.785 3.182 -4.291 1.00 0.00 H new ATOM 0 HB2 PHE A 53 6.625 1.802 -2.249 1.00 0.00 H new ATOM 0 HB3 PHE A 53 8.350 1.960 -1.982 1.00 0.00 H new ATOM 0 HD1 PHE A 53 9.309 4.209 -1.410 1.00 0.00 H new ATOM 0 HD2 PHE A 53 5.112 3.491 -1.551 1.00 0.00 H new ATOM 0 HE1 PHE A 53 8.918 6.231 -0.074 1.00 0.00 H new ATOM 0 HE2 PHE A 53 4.719 5.511 -0.216 1.00 0.00 H new ATOM 0 HZ PHE A 53 6.620 6.887 0.524 1.00 0.00 H new ATOM 842 N ASN A 54 8.547 4.810 -4.769 1.00 0.00 N ATOM 843 CA ASN A 54 9.556 5.827 -5.049 1.00 0.00 C ATOM 844 C ASN A 54 10.780 5.205 -5.720 1.00 0.00 C ATOM 845 O ASN A 54 11.906 5.358 -5.247 1.00 0.00 O ATOM 846 CB ASN A 54 9.969 6.536 -3.758 1.00 0.00 C ATOM 847 CG ASN A 54 9.141 7.776 -3.489 1.00 0.00 C ATOM 848 OD1 ASN A 54 9.627 8.901 -3.616 1.00 0.00 O ATOM 849 ND2 ASN A 54 7.882 7.579 -3.116 1.00 0.00 N ATOM 0 H ASN A 54 7.620 5.025 -5.138 1.00 0.00 H new ATOM 0 HA ASN A 54 9.122 6.559 -5.731 1.00 0.00 H new ATOM 0 HB2 ASN A 54 9.868 5.846 -2.920 1.00 0.00 H new ATOM 0 HB3 ASN A 54 11.022 6.812 -3.819 1.00 0.00 H new ATOM 0 HD21 ASN A 54 7.277 8.377 -2.922 1.00 0.00 H new ATOM 0 HD22 ASN A 54 7.520 6.630 -3.023 1.00 0.00 H new ATOM 856 N GLY A 55 10.549 4.498 -6.821 1.00 0.00 N ATOM 857 CA GLY A 55 11.639 3.859 -7.532 1.00 0.00 C ATOM 858 C GLY A 55 12.338 2.809 -6.692 1.00 0.00 C ATOM 859 O GLY A 55 13.494 2.468 -6.947 1.00 0.00 O ATOM 0 H GLY A 55 9.627 4.357 -7.233 1.00 0.00 H new ATOM 0 HA2 GLY A 55 11.255 3.397 -8.441 1.00 0.00 H new ATOM 0 HA3 GLY A 55 12.362 4.615 -7.840 1.00 0.00 H new ATOM 863 N ASP A 56 11.635 2.294 -5.686 1.00 0.00 N ATOM 864 CA ASP A 56 12.194 1.276 -4.806 1.00 0.00 C ATOM 865 C ASP A 56 11.256 0.080 -4.702 1.00 0.00 C ATOM 866 O ASP A 56 10.241 0.130 -4.006 1.00 0.00 O ATOM 867 CB ASP A 56 12.452 1.859 -3.414 1.00 0.00 C ATOM 868 CG ASP A 56 13.664 1.242 -2.744 1.00 0.00 C ATOM 869 OD1 ASP A 56 14.756 1.268 -3.352 1.00 0.00 O ATOM 870 OD2 ASP A 56 13.522 0.733 -1.612 1.00 0.00 O ATOM 0 H ASP A 56 10.678 2.566 -5.462 1.00 0.00 H new ATOM 0 HA ASP A 56 13.140 0.941 -5.231 1.00 0.00 H new ATOM 0 HB2 ASP A 56 12.595 2.937 -3.495 1.00 0.00 H new ATOM 0 HB3 ASP A 56 11.574 1.700 -2.788 1.00 0.00 H new ATOM 875 N ALA A 57 11.600 -0.996 -5.402 1.00 0.00 N ATOM 876 CA ALA A 57 10.789 -2.209 -5.395 1.00 0.00 C ATOM 877 C ALA A 57 10.544 -2.706 -3.975 1.00 0.00 C ATOM 878 O ALA A 57 11.486 -2.965 -3.226 1.00 0.00 O ATOM 879 CB ALA A 57 11.457 -3.292 -6.227 1.00 0.00 C ATOM 0 H ALA A 57 12.437 -1.053 -5.983 1.00 0.00 H new ATOM 0 HA ALA A 57 9.821 -1.969 -5.835 1.00 0.00 H new ATOM 0 HB1 ALA A 57 10.842 -4.192 -6.214 1.00 0.00 H new ATOM 0 HB2 ALA A 57 11.570 -2.944 -7.254 1.00 0.00 H new ATOM 0 HB3 ALA A 57 12.439 -3.517 -5.810 1.00 0.00 H new ATOM 885 N LEU A 58 9.271 -2.849 -3.615 1.00 0.00 N ATOM 886 CA LEU A 58 8.901 -3.326 -2.287 1.00 0.00 C ATOM 887 C LEU A 58 8.691 -4.840 -2.299 1.00 0.00 C ATOM 888 O LEU A 58 8.005 -5.387 -1.434 1.00 0.00 O ATOM 889 CB LEU A 58 7.629 -2.625 -1.801 1.00 0.00 C ATOM 890 CG LEU A 58 7.639 -1.096 -1.911 1.00 0.00 C ATOM 891 CD1 LEU A 58 6.219 -0.549 -1.970 1.00 0.00 C ATOM 892 CD2 LEU A 58 8.397 -0.482 -0.742 1.00 0.00 C ATOM 0 H LEU A 58 8.480 -2.641 -4.224 1.00 0.00 H new ATOM 0 HA LEU A 58 9.716 -3.091 -1.602 1.00 0.00 H new ATOM 0 HB2 LEU A 58 6.783 -3.008 -2.371 1.00 0.00 H new ATOM 0 HB3 LEU A 58 7.460 -2.896 -0.759 1.00 0.00 H new ATOM 0 HG LEU A 58 8.148 -0.825 -2.836 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.251 0.538 -2.048 1.00 0.00 H new ATOM 0 HD12 LEU A 58 5.706 -0.960 -2.840 1.00 0.00 H new ATOM 0 HD13 LEU A 58 5.682 -0.832 -1.065 1.00 0.00 H new ATOM 0 HD21 LEU A 58 8.394 0.604 -0.836 1.00 0.00 H new ATOM 0 HD22 LEU A 58 7.915 -0.766 0.194 1.00 0.00 H new ATOM 0 HD23 LEU A 58 9.425 -0.844 -0.745 1.00 0.00 H new ATOM 904 N GLU A 59 9.285 -5.514 -3.282 1.00 0.00 N ATOM 905 CA GLU A 59 9.159 -6.962 -3.408 1.00 0.00 C ATOM 906 C GLU A 59 10.064 -7.683 -2.416 1.00 0.00 C ATOM 907 O GLU A 59 11.285 -7.529 -2.447 1.00 0.00 O ATOM 908 CB GLU A 59 9.497 -7.400 -4.834 1.00 0.00 C ATOM 909 CG GLU A 59 8.901 -8.747 -5.214 1.00 0.00 C ATOM 910 CD GLU A 59 9.689 -9.445 -6.304 1.00 0.00 C ATOM 911 OE1 GLU A 59 10.282 -8.744 -7.151 1.00 0.00 O ATOM 912 OE2 GLU A 59 9.712 -10.694 -6.314 1.00 0.00 O ATOM 0 H GLU A 59 9.859 -5.078 -4.004 1.00 0.00 H new ATOM 0 HA GLU A 59 8.126 -7.229 -3.184 1.00 0.00 H new ATOM 0 HB2 GLU A 59 9.139 -6.643 -5.532 1.00 0.00 H new ATOM 0 HB3 GLU A 59 10.580 -7.447 -4.944 1.00 0.00 H new ATOM 0 HG2 GLU A 59 8.864 -9.386 -4.332 1.00 0.00 H new ATOM 0 HG3 GLU A 59 7.873 -8.604 -5.548 1.00 0.00 H new ATOM 919 N GLY A 60 9.454 -8.472 -1.539 1.00 0.00 N ATOM 920 CA GLY A 60 10.215 -9.213 -0.550 1.00 0.00 C ATOM 921 C GLY A 60 10.397 -8.444 0.746 1.00 0.00 C ATOM 922 O GLY A 60 10.742 -9.026 1.775 1.00 0.00 O ATOM 0 H GLY A 60 8.445 -8.612 -1.495 1.00 0.00 H new ATOM 0 HA2 GLY A 60 9.710 -10.156 -0.340 1.00 0.00 H new ATOM 0 HA3 GLY A 60 11.194 -9.461 -0.961 1.00 0.00 H new ATOM 926 N LEU A 61 10.170 -7.134 0.698 1.00 0.00 N ATOM 927 CA LEU A 61 10.316 -6.292 1.880 1.00 0.00 C ATOM 928 C LEU A 61 9.129 -6.466 2.828 1.00 0.00 C ATOM 929 O LEU A 61 7.979 -6.488 2.391 1.00 0.00 O ATOM 930 CB LEU A 61 10.442 -4.823 1.469 1.00 0.00 C ATOM 931 CG LEU A 61 11.776 -4.443 0.824 1.00 0.00 C ATOM 932 CD1 LEU A 61 11.749 -2.997 0.353 1.00 0.00 C ATOM 933 CD2 LEU A 61 12.920 -4.666 1.802 1.00 0.00 C ATOM 0 H LEU A 61 9.885 -6.634 -0.144 1.00 0.00 H new ATOM 0 HA LEU A 61 11.222 -6.598 2.403 1.00 0.00 H new ATOM 0 HB2 LEU A 61 9.638 -4.586 0.772 1.00 0.00 H new ATOM 0 HB3 LEU A 61 10.292 -4.201 2.351 1.00 0.00 H new ATOM 0 HG LEU A 61 11.935 -5.082 -0.044 1.00 0.00 H new ATOM 0 HD11 LEU A 61 12.706 -2.745 -0.103 1.00 0.00 H new ATOM 0 HD12 LEU A 61 10.953 -2.868 -0.380 1.00 0.00 H new ATOM 0 HD13 LEU A 61 11.568 -2.340 1.204 1.00 0.00 H new ATOM 0 HD21 LEU A 61 13.862 -4.391 1.328 1.00 0.00 H new ATOM 0 HD22 LEU A 61 12.766 -4.050 2.688 1.00 0.00 H new ATOM 0 HD23 LEU A 61 12.952 -5.716 2.091 1.00 0.00 H new ATOM 945 N PRO A 62 9.391 -6.591 4.145 1.00 0.00 N ATOM 946 CA PRO A 62 8.331 -6.761 5.145 1.00 0.00 C ATOM 947 C PRO A 62 7.323 -5.615 5.118 1.00 0.00 C ATOM 948 O PRO A 62 7.223 -4.889 4.129 1.00 0.00 O ATOM 949 CB PRO A 62 9.087 -6.771 6.479 1.00 0.00 C ATOM 950 CG PRO A 62 10.485 -7.140 6.127 1.00 0.00 C ATOM 951 CD PRO A 62 10.731 -6.575 4.758 1.00 0.00 C ATOM 0 HA PRO A 62 7.748 -7.664 4.966 1.00 0.00 H new ATOM 0 HB2 PRO A 62 9.046 -5.795 6.963 1.00 0.00 H new ATOM 0 HB3 PRO A 62 8.652 -7.490 7.174 1.00 0.00 H new ATOM 0 HG2 PRO A 62 11.190 -6.731 6.850 1.00 0.00 H new ATOM 0 HG3 PRO A 62 10.616 -8.222 6.132 1.00 0.00 H new ATOM 0 HD2 PRO A 62 11.141 -5.566 4.806 1.00 0.00 H new ATOM 0 HD3 PRO A 62 11.440 -7.180 4.193 1.00 0.00 H new ATOM 959 N PHE A 63 6.582 -5.457 6.210 1.00 0.00 N ATOM 960 CA PHE A 63 5.585 -4.397 6.307 1.00 0.00 C ATOM 961 C PHE A 63 6.112 -3.226 7.130 1.00 0.00 C ATOM 962 O PHE A 63 5.671 -2.092 6.959 1.00 0.00 O ATOM 963 CB PHE A 63 4.295 -4.929 6.931 1.00 0.00 C ATOM 964 CG PHE A 63 3.121 -4.010 6.745 1.00 0.00 C ATOM 965 CD1 PHE A 63 2.476 -3.929 5.521 1.00 0.00 C ATOM 966 CD2 PHE A 63 2.664 -3.226 7.793 1.00 0.00 C ATOM 967 CE1 PHE A 63 1.397 -3.086 5.345 1.00 0.00 C ATOM 968 CE2 PHE A 63 1.585 -2.379 7.622 1.00 0.00 C ATOM 969 CZ PHE A 63 0.950 -2.309 6.397 1.00 0.00 C ATOM 0 H PHE A 63 6.653 -6.048 7.038 1.00 0.00 H new ATOM 0 HA PHE A 63 5.373 -4.045 5.297 1.00 0.00 H new ATOM 0 HB2 PHE A 63 4.061 -5.899 6.493 1.00 0.00 H new ATOM 0 HB3 PHE A 63 4.455 -5.091 7.997 1.00 0.00 H new ATOM 0 HD1 PHE A 63 2.822 -4.533 4.695 1.00 0.00 H new ATOM 0 HD2 PHE A 63 3.156 -3.277 8.753 1.00 0.00 H new ATOM 0 HE1 PHE A 63 0.903 -3.034 4.386 1.00 0.00 H new ATOM 0 HE2 PHE A 63 1.239 -1.772 8.446 1.00 0.00 H new ATOM 0 HZ PHE A 63 0.106 -1.649 6.262 1.00 0.00 H new ATOM 979 N GLN A 64 7.056 -3.506 8.022 1.00 0.00 N ATOM 980 CA GLN A 64 7.635 -2.467 8.866 1.00 0.00 C ATOM 981 C GLN A 64 8.295 -1.385 8.017 1.00 0.00 C ATOM 982 O GLN A 64 8.075 -0.192 8.232 1.00 0.00 O ATOM 983 CB GLN A 64 8.657 -3.072 9.833 1.00 0.00 C ATOM 984 CG GLN A 64 9.666 -3.992 9.165 1.00 0.00 C ATOM 985 CD GLN A 64 9.901 -5.267 9.951 1.00 0.00 C ATOM 986 OE1 GLN A 64 10.839 -5.356 10.744 1.00 0.00 O ATOM 987 NE2 GLN A 64 9.049 -6.261 9.735 1.00 0.00 N ATOM 0 H GLN A 64 7.435 -4.440 8.179 1.00 0.00 H new ATOM 0 HA GLN A 64 6.830 -2.011 9.443 1.00 0.00 H new ATOM 0 HB2 GLN A 64 9.192 -2.265 10.333 1.00 0.00 H new ATOM 0 HB3 GLN A 64 8.127 -3.630 10.605 1.00 0.00 H new ATOM 0 HG2 GLN A 64 9.315 -4.246 8.165 1.00 0.00 H new ATOM 0 HG3 GLN A 64 10.612 -3.463 9.046 1.00 0.00 H new ATOM 0 HE21 GLN A 64 8.286 -6.143 9.069 1.00 0.00 H new ATOM 0 HE22 GLN A 64 9.157 -7.143 10.235 1.00 0.00 H new ATOM 996 N VAL A 65 9.101 -1.809 7.049 1.00 0.00 N ATOM 997 CA VAL A 65 9.789 -0.876 6.166 1.00 0.00 C ATOM 998 C VAL A 65 8.801 -0.145 5.264 1.00 0.00 C ATOM 999 O VAL A 65 8.865 1.076 5.117 1.00 0.00 O ATOM 1000 CB VAL A 65 10.841 -1.589 5.294 1.00 0.00 C ATOM 1001 CG1 VAL A 65 11.934 -2.192 6.163 1.00 0.00 C ATOM 1002 CG2 VAL A 65 10.187 -2.659 4.431 1.00 0.00 C ATOM 0 H VAL A 65 9.293 -2.792 6.857 1.00 0.00 H new ATOM 0 HA VAL A 65 10.296 -0.153 6.805 1.00 0.00 H new ATOM 0 HB VAL A 65 11.297 -0.851 4.633 1.00 0.00 H new ATOM 0 HG11 VAL A 65 12.668 -2.691 5.530 1.00 0.00 H new ATOM 0 HG12 VAL A 65 12.423 -1.402 6.732 1.00 0.00 H new ATOM 0 HG13 VAL A 65 11.495 -2.916 6.850 1.00 0.00 H new ATOM 0 HG21 VAL A 65 10.947 -3.150 3.823 1.00 0.00 H new ATOM 0 HG22 VAL A 65 9.702 -3.396 5.071 1.00 0.00 H new ATOM 0 HG23 VAL A 65 9.444 -2.198 3.780 1.00 0.00 H new ATOM 1012 N CYS A 66 7.884 -0.897 4.661 1.00 0.00 N ATOM 1013 CA CYS A 66 6.881 -0.317 3.777 1.00 0.00 C ATOM 1014 C CYS A 66 6.032 0.706 4.521 1.00 0.00 C ATOM 1015 O CYS A 66 5.857 1.835 4.065 1.00 0.00 O ATOM 1016 CB CYS A 66 5.994 -1.414 3.187 1.00 0.00 C ATOM 1017 SG CYS A 66 6.731 -2.269 1.774 1.00 0.00 S ATOM 0 H CYS A 66 7.816 -1.909 4.769 1.00 0.00 H new ATOM 0 HA CYS A 66 7.397 0.193 2.963 1.00 0.00 H new ATOM 0 HB2 CYS A 66 5.770 -2.144 3.965 1.00 0.00 H new ATOM 0 HB3 CYS A 66 5.045 -0.975 2.879 1.00 0.00 H new ATOM 0 HG CYS A 66 8.019 -2.090 1.782 1.00 0.00 H new ATOM 1023 N TYR A 67 5.517 0.312 5.681 1.00 0.00 N ATOM 1024 CA TYR A 67 4.701 1.204 6.494 1.00 0.00 C ATOM 1025 C TYR A 67 5.495 2.450 6.874 1.00 0.00 C ATOM 1026 O TYR A 67 4.938 3.542 7.005 1.00 0.00 O ATOM 1027 CB TYR A 67 4.227 0.488 7.761 1.00 0.00 C ATOM 1028 CG TYR A 67 3.244 1.303 8.572 1.00 0.00 C ATOM 1029 CD1 TYR A 67 2.003 1.648 8.049 1.00 0.00 C ATOM 1030 CD2 TYR A 67 3.558 1.730 9.856 1.00 0.00 C ATOM 1031 CE1 TYR A 67 1.104 2.397 8.783 1.00 0.00 C ATOM 1032 CE2 TYR A 67 2.661 2.478 10.597 1.00 0.00 C ATOM 1033 CZ TYR A 67 1.436 2.809 10.056 1.00 0.00 C ATOM 1034 OH TYR A 67 0.543 3.555 10.790 1.00 0.00 O ATOM 0 H TYR A 67 5.650 -0.618 6.078 1.00 0.00 H new ATOM 0 HA TYR A 67 3.831 1.501 5.908 1.00 0.00 H new ATOM 0 HB2 TYR A 67 3.763 -0.459 7.484 1.00 0.00 H new ATOM 0 HB3 TYR A 67 5.091 0.250 8.381 1.00 0.00 H new ATOM 0 HD1 TYR A 67 1.738 1.325 7.053 1.00 0.00 H new ATOM 0 HD2 TYR A 67 4.517 1.474 10.282 1.00 0.00 H new ATOM 0 HE1 TYR A 67 0.145 2.659 8.361 1.00 0.00 H new ATOM 0 HE2 TYR A 67 2.919 2.801 11.595 1.00 0.00 H new ATOM 0 HH TYR A 67 -0.014 2.958 11.332 1.00 0.00 H new ATOM 1044 N ALA A 68 6.802 2.273 7.060 1.00 0.00 N ATOM 1045 CA ALA A 68 7.683 3.372 7.441 1.00 0.00 C ATOM 1046 C ALA A 68 7.865 4.382 6.312 1.00 0.00 C ATOM 1047 O ALA A 68 7.697 5.583 6.518 1.00 0.00 O ATOM 1048 CB ALA A 68 9.035 2.826 7.874 1.00 0.00 C ATOM 0 H ALA A 68 7.274 1.375 6.952 1.00 0.00 H new ATOM 0 HA ALA A 68 7.213 3.895 8.274 1.00 0.00 H new ATOM 0 HB1 ALA A 68 9.687 3.652 8.157 1.00 0.00 H new ATOM 0 HB2 ALA A 68 8.902 2.160 8.727 1.00 0.00 H new ATOM 0 HB3 ALA A 68 9.486 2.274 7.049 1.00 0.00 H new ATOM 1054 N LEU A 69 8.213 3.901 5.121 1.00 0.00 N ATOM 1055 CA LEU A 69 8.411 4.790 3.981 1.00 0.00 C ATOM 1056 C LEU A 69 7.083 5.390 3.540 1.00 0.00 C ATOM 1057 O LEU A 69 7.021 6.545 3.120 1.00 0.00 O ATOM 1058 CB LEU A 69 9.078 4.057 2.814 1.00 0.00 C ATOM 1059 CG LEU A 69 8.518 2.667 2.508 1.00 0.00 C ATOM 1060 CD1 LEU A 69 7.817 2.653 1.159 1.00 0.00 C ATOM 1061 CD2 LEU A 69 9.628 1.626 2.545 1.00 0.00 C ATOM 0 H LEU A 69 8.362 2.912 4.922 1.00 0.00 H new ATOM 0 HA LEU A 69 9.075 5.595 4.295 1.00 0.00 H new ATOM 0 HB2 LEU A 69 8.985 4.673 1.919 1.00 0.00 H new ATOM 0 HB3 LEU A 69 10.143 3.963 3.027 1.00 0.00 H new ATOM 0 HG LEU A 69 7.784 2.418 3.275 1.00 0.00 H new ATOM 0 HD11 LEU A 69 7.427 1.655 0.962 1.00 0.00 H new ATOM 0 HD12 LEU A 69 6.995 3.369 1.169 1.00 0.00 H new ATOM 0 HD13 LEU A 69 8.526 2.926 0.378 1.00 0.00 H new ATOM 0 HD21 LEU A 69 9.212 0.643 2.325 1.00 0.00 H new ATOM 0 HD22 LEU A 69 10.385 1.875 1.801 1.00 0.00 H new ATOM 0 HD23 LEU A 69 10.083 1.614 3.535 1.00 0.00 H new ATOM 1073 N PHE A 70 6.020 4.602 3.655 1.00 0.00 N ATOM 1074 CA PHE A 70 4.690 5.067 3.286 1.00 0.00 C ATOM 1075 C PHE A 70 4.211 6.122 4.278 1.00 0.00 C ATOM 1076 O PHE A 70 3.414 6.995 3.936 1.00 0.00 O ATOM 1077 CB PHE A 70 3.701 3.898 3.245 1.00 0.00 C ATOM 1078 CG PHE A 70 3.500 3.329 1.870 1.00 0.00 C ATOM 1079 CD1 PHE A 70 2.765 4.021 0.923 1.00 0.00 C ATOM 1080 CD2 PHE A 70 4.050 2.105 1.523 1.00 0.00 C ATOM 1081 CE1 PHE A 70 2.581 3.505 -0.344 1.00 0.00 C ATOM 1082 CE2 PHE A 70 3.869 1.582 0.257 1.00 0.00 C ATOM 1083 CZ PHE A 70 3.133 2.284 -0.678 1.00 0.00 C ATOM 0 H PHE A 70 6.054 3.642 3.999 1.00 0.00 H new ATOM 0 HA PHE A 70 4.743 5.510 2.292 1.00 0.00 H new ATOM 0 HB2 PHE A 70 4.057 3.109 3.907 1.00 0.00 H new ATOM 0 HB3 PHE A 70 2.740 4.232 3.635 1.00 0.00 H new ATOM 0 HD1 PHE A 70 2.330 4.976 1.178 1.00 0.00 H new ATOM 0 HD2 PHE A 70 4.627 1.554 2.251 1.00 0.00 H new ATOM 0 HE1 PHE A 70 2.006 4.056 -1.074 1.00 0.00 H new ATOM 0 HE2 PHE A 70 4.302 0.627 -0.001 1.00 0.00 H new ATOM 0 HZ PHE A 70 2.990 1.878 -1.669 1.00 0.00 H new ATOM 1093 N LYS A 71 4.708 6.032 5.510 1.00 0.00 N ATOM 1094 CA LYS A 71 4.344 6.976 6.559 1.00 0.00 C ATOM 1095 C LYS A 71 5.219 8.224 6.496 1.00 0.00 C ATOM 1096 O LYS A 71 4.739 9.344 6.671 1.00 0.00 O ATOM 1097 CB LYS A 71 4.490 6.319 7.934 1.00 0.00 C ATOM 1098 CG LYS A 71 3.218 5.656 8.433 1.00 0.00 C ATOM 1099 CD LYS A 71 3.146 5.666 9.953 1.00 0.00 C ATOM 1100 CE LYS A 71 4.356 4.989 10.576 1.00 0.00 C ATOM 1101 NZ LYS A 71 4.163 4.736 12.030 1.00 0.00 N ATOM 0 H LYS A 71 5.366 5.311 5.805 1.00 0.00 H new ATOM 0 HA LYS A 71 3.305 7.269 6.404 1.00 0.00 H new ATOM 0 HB2 LYS A 71 5.284 5.573 7.888 1.00 0.00 H new ATOM 0 HB3 LYS A 71 4.803 7.073 8.656 1.00 0.00 H new ATOM 0 HG2 LYS A 71 2.351 6.174 8.023 1.00 0.00 H new ATOM 0 HG3 LYS A 71 3.176 4.628 8.072 1.00 0.00 H new ATOM 0 HD2 LYS A 71 3.081 6.695 10.308 1.00 0.00 H new ATOM 0 HD3 LYS A 71 2.237 5.159 10.278 1.00 0.00 H new ATOM 0 HE2 LYS A 71 4.547 4.045 10.065 1.00 0.00 H new ATOM 0 HE3 LYS A 71 5.237 5.614 10.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 4.460 3.765 12.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 4.735 5.410 12.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 3.159 4.856 12.273 1.00 0.00 H new ATOM 1115 N GLY A 72 6.512 8.018 6.257 1.00 0.00 N ATOM 1116 CA GLY A 72 7.443 9.126 6.187 1.00 0.00 C ATOM 1117 C GLY A 72 7.352 9.903 4.887 1.00 0.00 C ATOM 1118 O GLY A 72 7.784 11.050 4.819 1.00 0.00 O ATOM 0 H GLY A 72 6.930 7.099 6.110 1.00 0.00 H new ATOM 0 HA2 GLY A 72 7.256 9.803 7.021 1.00 0.00 H new ATOM 0 HA3 GLY A 72 8.458 8.747 6.306 1.00 0.00 H new ATOM 1122 N ALA A 73 6.793 9.276 3.852 1.00 0.00 N ATOM 1123 CA ALA A 73 6.651 9.919 2.544 1.00 0.00 C ATOM 1124 C ALA A 73 6.179 11.368 2.676 1.00 0.00 C ATOM 1125 O ALA A 73 5.234 11.659 3.410 1.00 0.00 O ATOM 1126 CB ALA A 73 5.690 9.127 1.675 1.00 0.00 C ATOM 0 H ALA A 73 6.431 8.323 3.893 1.00 0.00 H new ATOM 0 HA ALA A 73 7.633 9.935 2.071 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.591 9.614 0.705 1.00 0.00 H new ATOM 0 HB2 ALA A 73 6.073 8.116 1.537 1.00 0.00 H new ATOM 0 HB3 ALA A 73 4.714 9.082 2.159 1.00 0.00 H new ATOM 1132 N ASN A 74 6.844 12.269 1.960 1.00 0.00 N ATOM 1133 CA ASN A 74 6.492 13.687 1.993 1.00 0.00 C ATOM 1134 C ASN A 74 7.101 14.423 0.806 1.00 0.00 C ATOM 1135 O ASN A 74 8.294 14.731 0.796 1.00 0.00 O ATOM 1136 CB ASN A 74 6.961 14.328 3.302 1.00 0.00 C ATOM 1137 CG ASN A 74 8.462 14.251 3.482 1.00 0.00 C ATOM 1138 OD1 ASN A 74 9.177 15.231 3.276 1.00 0.00 O ATOM 1139 ND2 ASN A 74 8.948 13.079 3.864 1.00 0.00 N ATOM 0 H ASN A 74 7.630 12.044 1.350 1.00 0.00 H new ATOM 0 HA ASN A 74 5.407 13.766 1.932 1.00 0.00 H new ATOM 0 HB2 ASN A 74 6.649 15.372 3.323 1.00 0.00 H new ATOM 0 HB3 ASN A 74 6.472 13.832 4.141 1.00 0.00 H new ATOM 0 HD21 ASN A 74 9.952 12.963 3.999 1.00 0.00 H new ATOM 0 HD22 ASN A 74 8.318 12.293 4.023 1.00 0.00 H new ATOM 1146 N GLY A 75 6.275 14.698 -0.196 1.00 0.00 N ATOM 1147 CA GLY A 75 6.745 15.392 -1.380 1.00 0.00 C ATOM 1148 C GLY A 75 6.706 14.510 -2.612 1.00 0.00 C ATOM 1149 O GLY A 75 7.720 13.933 -3.003 1.00 0.00 O ATOM 0 H GLY A 75 5.285 14.452 -0.210 1.00 0.00 H new ATOM 0 HA2 GLY A 75 6.131 16.277 -1.549 1.00 0.00 H new ATOM 0 HA3 GLY A 75 7.765 15.739 -1.215 1.00 0.00 H new ATOM 1153 N LYS A 76 5.528 14.401 -3.221 1.00 0.00 N ATOM 1154 CA LYS A 76 5.353 13.580 -4.409 1.00 0.00 C ATOM 1155 C LYS A 76 5.729 12.129 -4.118 1.00 0.00 C ATOM 1156 O LYS A 76 6.900 11.808 -3.913 1.00 0.00 O ATOM 1157 CB LYS A 76 6.195 14.131 -5.558 1.00 0.00 C ATOM 1158 CG LYS A 76 5.489 14.090 -6.903 1.00 0.00 C ATOM 1159 CD LYS A 76 4.565 15.285 -7.084 1.00 0.00 C ATOM 1160 CE LYS A 76 3.105 14.885 -6.945 1.00 0.00 C ATOM 1161 NZ LYS A 76 2.215 15.725 -7.793 1.00 0.00 N ATOM 0 H LYS A 76 4.680 14.874 -2.908 1.00 0.00 H new ATOM 0 HA LYS A 76 4.303 13.609 -4.701 1.00 0.00 H new ATOM 0 HB2 LYS A 76 6.472 15.161 -5.333 1.00 0.00 H new ATOM 0 HB3 LYS A 76 7.121 13.560 -5.625 1.00 0.00 H new ATOM 0 HG2 LYS A 76 6.229 14.076 -7.703 1.00 0.00 H new ATOM 0 HG3 LYS A 76 4.914 13.168 -6.985 1.00 0.00 H new ATOM 0 HD2 LYS A 76 4.806 16.048 -6.344 1.00 0.00 H new ATOM 0 HD3 LYS A 76 4.730 15.729 -8.066 1.00 0.00 H new ATOM 0 HE2 LYS A 76 2.988 13.837 -7.223 1.00 0.00 H new ATOM 0 HE3 LYS A 76 2.802 14.974 -5.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 1.228 15.420 -7.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 2.307 16.722 -7.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 2.487 15.621 -8.791 1.00 0.00 H new ATOM 1175 N VAL A 77 4.725 11.260 -4.085 1.00 0.00 N ATOM 1176 CA VAL A 77 4.938 9.844 -3.802 1.00 0.00 C ATOM 1177 C VAL A 77 4.442 8.961 -4.938 1.00 0.00 C ATOM 1178 O VAL A 77 3.238 8.796 -5.122 1.00 0.00 O ATOM 1179 CB VAL A 77 4.216 9.420 -2.509 1.00 0.00 C ATOM 1180 CG1 VAL A 77 5.151 9.524 -1.320 1.00 0.00 C ATOM 1181 CG2 VAL A 77 2.967 10.249 -2.285 1.00 0.00 C ATOM 0 H VAL A 77 3.751 11.512 -4.251 1.00 0.00 H new ATOM 0 HA VAL A 77 6.014 9.713 -3.687 1.00 0.00 H new ATOM 0 HB VAL A 77 3.911 8.379 -2.617 1.00 0.00 H new ATOM 0 HG11 VAL A 77 4.624 9.221 -0.415 1.00 0.00 H new ATOM 0 HG12 VAL A 77 6.011 8.872 -1.475 1.00 0.00 H new ATOM 0 HG13 VAL A 77 5.491 10.554 -1.214 1.00 0.00 H new ATOM 0 HG21 VAL A 77 2.477 9.928 -1.365 1.00 0.00 H new ATOM 0 HG22 VAL A 77 3.239 11.301 -2.203 1.00 0.00 H new ATOM 0 HG23 VAL A 77 2.285 10.114 -3.125 1.00 0.00 H new ATOM 1191 N SER A 78 5.373 8.381 -5.684 1.00 0.00 N ATOM 1192 CA SER A 78 5.024 7.499 -6.790 1.00 0.00 C ATOM 1193 C SER A 78 5.125 6.041 -6.359 1.00 0.00 C ATOM 1194 O SER A 78 6.209 5.551 -6.040 1.00 0.00 O ATOM 1195 CB SER A 78 5.937 7.757 -7.988 1.00 0.00 C ATOM 1196 OG SER A 78 5.518 7.020 -9.124 1.00 0.00 O ATOM 0 H SER A 78 6.376 8.505 -5.543 1.00 0.00 H new ATOM 0 HA SER A 78 3.995 7.707 -7.084 1.00 0.00 H new ATOM 0 HB2 SER A 78 5.940 8.821 -8.223 1.00 0.00 H new ATOM 0 HB3 SER A 78 6.961 7.485 -7.733 1.00 0.00 H new ATOM 0 HG SER A 78 6.120 7.206 -9.875 1.00 0.00 H new ATOM 1202 N MET A 79 3.990 5.353 -6.338 1.00 0.00 N ATOM 1203 CA MET A 79 3.950 3.954 -5.931 1.00 0.00 C ATOM 1204 C MET A 79 3.417 3.065 -7.049 1.00 0.00 C ATOM 1205 O MET A 79 2.307 3.270 -7.539 1.00 0.00 O ATOM 1206 CB MET A 79 3.076 3.783 -4.684 1.00 0.00 C ATOM 1207 CG MET A 79 2.984 5.028 -3.815 1.00 0.00 C ATOM 1208 SD MET A 79 1.466 5.957 -4.091 1.00 0.00 S ATOM 1209 CE MET A 79 0.643 5.724 -2.519 1.00 0.00 C ATOM 0 H MET A 79 3.084 5.742 -6.598 1.00 0.00 H new ATOM 0 HA MET A 79 4.972 3.650 -5.703 1.00 0.00 H new ATOM 0 HB2 MET A 79 2.072 3.494 -4.994 1.00 0.00 H new ATOM 0 HB3 MET A 79 3.473 2.963 -4.085 1.00 0.00 H new ATOM 0 HG2 MET A 79 3.043 4.739 -2.766 1.00 0.00 H new ATOM 0 HG3 MET A 79 3.841 5.671 -4.017 1.00 0.00 H new ATOM 0 HE1 MET A 79 -0.308 6.256 -2.524 1.00 0.00 H new ATOM 0 HE2 MET A 79 0.464 4.661 -2.356 1.00 0.00 H new ATOM 0 HE3 MET A 79 1.272 6.113 -1.718 1.00 0.00 H new ATOM 1219 N GLU A 80 4.203 2.065 -7.438 1.00 0.00 N ATOM 1220 CA GLU A 80 3.785 1.140 -8.483 1.00 0.00 C ATOM 1221 C GLU A 80 2.981 -0.003 -7.876 1.00 0.00 C ATOM 1222 O GLU A 80 3.535 -0.898 -7.238 1.00 0.00 O ATOM 1223 CB GLU A 80 4.992 0.593 -9.250 1.00 0.00 C ATOM 1224 CG GLU A 80 4.965 0.919 -10.736 1.00 0.00 C ATOM 1225 CD GLU A 80 6.311 1.387 -11.256 1.00 0.00 C ATOM 1226 OE1 GLU A 80 7.045 2.048 -10.492 1.00 0.00 O ATOM 1227 OE2 GLU A 80 6.631 1.092 -12.427 1.00 0.00 O ATOM 0 H GLU A 80 5.126 1.876 -7.048 1.00 0.00 H new ATOM 0 HA GLU A 80 3.156 1.683 -9.189 1.00 0.00 H new ATOM 0 HB2 GLU A 80 5.904 0.999 -8.813 1.00 0.00 H new ATOM 0 HB3 GLU A 80 5.033 -0.489 -9.124 1.00 0.00 H new ATOM 0 HG2 GLU A 80 4.652 0.035 -11.292 1.00 0.00 H new ATOM 0 HG3 GLU A 80 4.220 1.692 -10.921 1.00 0.00 H new ATOM 1234 N VAL A 81 1.669 0.044 -8.066 1.00 0.00 N ATOM 1235 CA VAL A 81 0.779 -0.976 -7.523 1.00 0.00 C ATOM 1236 C VAL A 81 0.480 -2.063 -8.546 1.00 0.00 C ATOM 1237 O VAL A 81 0.329 -1.789 -9.736 1.00 0.00 O ATOM 1238 CB VAL A 81 -0.552 -0.377 -7.031 1.00 0.00 C ATOM 1239 CG1 VAL A 81 -0.415 0.127 -5.606 1.00 0.00 C ATOM 1240 CG2 VAL A 81 -1.012 0.735 -7.953 1.00 0.00 C ATOM 0 H VAL A 81 1.196 0.778 -8.593 1.00 0.00 H new ATOM 0 HA VAL A 81 1.306 -1.414 -6.675 1.00 0.00 H new ATOM 0 HB VAL A 81 -1.308 -1.162 -7.044 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -1.365 0.547 -5.276 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -0.137 -0.700 -4.953 1.00 0.00 H new ATOM 0 HG13 VAL A 81 0.356 0.897 -5.565 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -1.954 1.144 -7.588 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -0.259 1.523 -7.977 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -1.155 0.339 -8.958 1.00 0.00 H new ATOM 1250 N THR A 82 0.390 -3.299 -8.068 1.00 0.00 N ATOM 1251 CA THR A 82 0.105 -4.440 -8.926 1.00 0.00 C ATOM 1252 C THR A 82 -1.307 -4.959 -8.667 1.00 0.00 C ATOM 1253 O THR A 82 -1.659 -5.289 -7.536 1.00 0.00 O ATOM 1254 CB THR A 82 1.127 -5.552 -8.680 1.00 0.00 C ATOM 1255 OG1 THR A 82 2.434 -5.108 -8.996 1.00 0.00 O ATOM 1256 CG2 THR A 82 0.862 -6.807 -9.483 1.00 0.00 C ATOM 0 H THR A 82 0.512 -3.536 -7.083 1.00 0.00 H new ATOM 0 HA THR A 82 0.174 -4.120 -9.966 1.00 0.00 H new ATOM 0 HB THR A 82 1.034 -5.796 -7.622 1.00 0.00 H new ATOM 0 HG1 THR A 82 2.723 -4.446 -8.334 1.00 0.00 H new ATOM 0 HG21 THR A 82 1.626 -7.551 -9.258 1.00 0.00 H new ATOM 0 HG22 THR A 82 -0.119 -7.204 -9.224 1.00 0.00 H new ATOM 0 HG23 THR A 82 0.888 -6.571 -10.547 1.00 0.00 H new ATOM 1264 N ARG A 83 -2.113 -5.019 -9.722 1.00 0.00 N ATOM 1265 CA ARG A 83 -3.488 -5.489 -9.604 1.00 0.00 C ATOM 1266 C ARG A 83 -3.638 -6.903 -10.158 1.00 0.00 C ATOM 1267 O ARG A 83 -3.873 -7.090 -11.352 1.00 0.00 O ATOM 1268 CB ARG A 83 -4.437 -4.539 -10.338 1.00 0.00 C ATOM 1269 CG ARG A 83 -5.885 -4.658 -9.891 1.00 0.00 C ATOM 1270 CD ARG A 83 -6.658 -3.379 -10.169 1.00 0.00 C ATOM 1271 NE ARG A 83 -8.098 -3.564 -10.010 1.00 0.00 N ATOM 1272 CZ ARG A 83 -8.882 -4.110 -10.938 1.00 0.00 C ATOM 1273 NH1 ARG A 83 -8.369 -4.533 -12.086 1.00 0.00 N ATOM 1274 NH2 ARG A 83 -10.183 -4.236 -10.714 1.00 0.00 N ATOM 0 H ARG A 83 -1.838 -4.749 -10.666 1.00 0.00 H new ATOM 0 HA ARG A 83 -3.746 -5.508 -8.545 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -4.101 -3.513 -10.184 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -4.379 -4.736 -11.408 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -6.360 -5.492 -10.408 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -5.921 -4.882 -8.825 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -6.317 -2.595 -9.493 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -6.446 -3.040 -11.183 1.00 0.00 H new ATOM 0 HE ARG A 83 -8.528 -3.257 -9.138 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -7.369 -4.441 -12.262 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -8.975 -4.950 -12.792 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -10.582 -3.915 -9.832 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -10.785 -4.654 -11.424 1.00 0.00 H new ATOM 1288 N PRO A 84 -3.507 -7.922 -9.290 1.00 0.00 N ATOM 1289 CA PRO A 84 -3.633 -9.324 -9.696 1.00 0.00 C ATOM 1290 C PRO A 84 -5.080 -9.713 -9.976 1.00 0.00 C ATOM 1291 O PRO A 84 -5.978 -8.872 -9.940 1.00 0.00 O ATOM 1292 CB PRO A 84 -3.099 -10.088 -8.485 1.00 0.00 C ATOM 1293 CG PRO A 84 -3.362 -9.191 -7.326 1.00 0.00 C ATOM 1294 CD PRO A 84 -3.226 -7.786 -7.847 1.00 0.00 C ATOM 0 HA PRO A 84 -3.096 -9.535 -10.621 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -3.605 -11.046 -8.367 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -2.035 -10.300 -8.588 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -4.359 -9.361 -6.920 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -2.653 -9.378 -6.520 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -3.930 -7.109 -7.363 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -2.227 -7.387 -7.669 1.00 0.00 H new ATOM 1572 N GLN A 103 -8.810 1.673 9.624 1.00 0.00 N ATOM 1573 CA GLN A 103 -7.745 0.797 9.146 1.00 0.00 C ATOM 1574 C GLN A 103 -6.360 1.348 9.457 1.00 0.00 C ATOM 1575 O GLN A 103 -6.220 2.411 10.063 1.00 0.00 O ATOM 1576 CB GLN A 103 -7.893 0.607 7.638 1.00 0.00 C ATOM 1577 CG GLN A 103 -9.187 -0.077 7.247 1.00 0.00 C ATOM 1578 CD GLN A 103 -9.034 -1.578 7.104 1.00 0.00 C ATOM 1579 OE1 GLN A 103 -8.123 -2.061 6.431 1.00 0.00 O ATOM 1580 NE2 GLN A 103 -9.930 -2.327 7.738 1.00 0.00 N ATOM 0 HA GLN A 103 -7.839 -0.157 9.665 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -7.842 1.580 7.149 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -7.053 0.019 7.268 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -9.948 0.137 7.998 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -9.543 0.339 6.305 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -10.669 -1.885 8.285 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -9.879 -3.344 7.678 1.00 0.00 H new ATOM 1589 N TYR A 104 -5.339 0.617 9.020 1.00 0.00 N ATOM 1590 CA TYR A 104 -3.957 1.027 9.224 1.00 0.00 C ATOM 1591 C TYR A 104 -3.532 1.947 8.090 1.00 0.00 C ATOM 1592 O TYR A 104 -3.146 1.485 7.017 1.00 0.00 O ATOM 1593 CB TYR A 104 -3.036 -0.196 9.271 1.00 0.00 C ATOM 1594 CG TYR A 104 -1.769 0.015 10.071 1.00 0.00 C ATOM 1595 CD1 TYR A 104 -1.814 0.553 11.350 1.00 0.00 C ATOM 1596 CD2 TYR A 104 -0.525 -0.331 9.550 1.00 0.00 C ATOM 1597 CE1 TYR A 104 -0.661 0.740 12.089 1.00 0.00 C ATOM 1598 CE2 TYR A 104 0.632 -0.148 10.284 1.00 0.00 C ATOM 1599 CZ TYR A 104 0.557 0.388 11.552 1.00 0.00 C ATOM 1600 OH TYR A 104 1.706 0.570 12.287 1.00 0.00 O ATOM 0 H TYR A 104 -5.445 -0.266 8.520 1.00 0.00 H new ATOM 0 HA TYR A 104 -3.881 1.555 10.174 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -3.586 -1.035 9.696 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -2.767 -0.475 8.252 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -2.767 0.830 11.775 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -0.463 -0.749 8.556 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -0.715 1.160 13.082 1.00 0.00 H new ATOM 0 HE2 TYR A 104 1.589 -0.423 9.867 1.00 0.00 H new ATOM 0 HH TYR A 104 2.435 0.842 11.692 1.00 0.00 H new ATOM 1610 N TRP A 105 -3.620 3.247 8.325 1.00 0.00 N ATOM 1611 CA TRP A 105 -3.259 4.224 7.310 1.00 0.00 C ATOM 1612 C TRP A 105 -1.927 4.889 7.639 1.00 0.00 C ATOM 1613 O TRP A 105 -1.701 5.325 8.768 1.00 0.00 O ATOM 1614 CB TRP A 105 -4.355 5.285 7.184 1.00 0.00 C ATOM 1615 CG TRP A 105 -5.748 4.726 7.231 1.00 0.00 C ATOM 1616 CD1 TRP A 105 -6.488 4.448 8.346 1.00 0.00 C ATOM 1617 CD2 TRP A 105 -6.567 4.366 6.115 1.00 0.00 C ATOM 1618 NE1 TRP A 105 -7.718 3.968 7.988 1.00 0.00 N ATOM 1619 CE2 TRP A 105 -7.787 3.901 6.626 1.00 0.00 C ATOM 1620 CE3 TRP A 105 -6.395 4.394 4.732 1.00 0.00 C ATOM 1621 CZ2 TRP A 105 -8.819 3.471 5.805 1.00 0.00 C ATOM 1622 CZ3 TRP A 105 -7.429 3.957 3.927 1.00 0.00 C ATOM 1623 CH2 TRP A 105 -8.622 3.505 4.470 1.00 0.00 C ATOM 0 H TRP A 105 -3.937 3.649 9.207 1.00 0.00 H new ATOM 0 HA TRP A 105 -3.155 3.701 6.359 1.00 0.00 H new ATOM 0 HB2 TRP A 105 -4.238 6.012 7.988 1.00 0.00 H new ATOM 0 HB3 TRP A 105 -4.221 5.823 6.246 1.00 0.00 H new ATOM 0 HD1 TRP A 105 -6.151 4.587 9.362 1.00 0.00 H new ATOM 0 HE1 TRP A 105 -8.462 3.703 8.633 1.00 0.00 H new ATOM 0 HE3 TRP A 105 -5.472 4.750 4.299 1.00 0.00 H new ATOM 0 HZ2 TRP A 105 -9.752 3.120 6.221 1.00 0.00 H new ATOM 0 HZ3 TRP A 105 -7.306 3.968 2.854 1.00 0.00 H new ATOM 0 HH2 TRP A 105 -9.410 3.173 3.811 1.00 0.00 H new ATOM 1634 N VAL A 106 -1.052 4.964 6.643 1.00 0.00 N ATOM 1635 CA VAL A 106 0.257 5.578 6.825 1.00 0.00 C ATOM 1636 C VAL A 106 0.155 7.099 6.813 1.00 0.00 C ATOM 1637 O VAL A 106 -0.973 7.615 6.668 1.00 0.00 O ATOM 1638 CB VAL A 106 1.241 5.132 5.729 1.00 0.00 C ATOM 1639 CG1 VAL A 106 1.563 3.653 5.871 1.00 0.00 C ATOM 1640 CG2 VAL A 106 0.676 5.434 4.349 1.00 0.00 C ATOM 1641 OXT VAL A 106 1.204 7.763 6.949 1.00 0.00 O ATOM 0 H VAL A 106 -1.225 4.608 5.703 1.00 0.00 H new ATOM 0 HA VAL A 106 0.631 5.249 7.795 1.00 0.00 H new ATOM 0 HB VAL A 106 2.168 5.694 5.847 1.00 0.00 H new ATOM 0 HG11 VAL A 106 2.260 3.356 5.088 1.00 0.00 H new ATOM 0 HG12 VAL A 106 2.014 3.471 6.846 1.00 0.00 H new ATOM 0 HG13 VAL A 106 0.646 3.071 5.781 1.00 0.00 H new ATOM 0 HG21 VAL A 106 1.386 5.112 3.587 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -0.266 4.901 4.217 1.00 0.00 H new ATOM 0 HG23 VAL A 106 0.503 6.506 4.253 1.00 0.00 H new