USER MOD reduce.3.24.130724 H: found=0, std=0, add=830, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 830 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 88 LYS NZ :NH3+ -164:sc= 0.0379 (180deg=-0.0613) USER MOD Set 1.2: A 92 GLN : amide:sc= -0.0461 K(o=-0.0081,f=-1.3) USER MOD Set 2.1: A 48 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 89 LYS NZ :NH3+ 166:sc= -0.0384 (180deg=-0.224) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 173:sc= 0.948 (180deg=0.691) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 32:sc= 0.0419 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 MET CE :methyl 164:sc= -1.66 (180deg=-2.58!) USER MOD Single : A 22 THR OG1 : rot -70:sc= 1.27 USER MOD Single : A 30 ASN : amide:sc= -0.126 X(o=-0.13,f=-0.43) USER MOD Single : A 31 THR OG1 : rot -130:sc=-0.00718 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -162:sc= -0.029 (180deg=-0.246) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.105 USER MOD Single : A 57 LYS NZ :NH3+ -160:sc= 1.28 (180deg=1.13) USER MOD Single : A 58 GLN : amide:sc= -0.0121 X(o=-0.012,f=-0.5) USER MOD Single : A 59 THR OG1 : rot 79:sc= 0.653 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -2.45 K(o=-2.5,f=-6.4!) USER MOD Single : A 69 SER OG : rot 62:sc= 1.32 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 77 HIS : no HE2:sc= -1.76 K(o=-1.8,f=-0.48) USER MOD Single : A 79 LYS NZ :NH3+ -151:sc= 1.29 (180deg=0.523) USER MOD Single : A 83 LYS NZ :NH3+ -162:sc= -0.045 (180deg=-0.346) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0.00469 USER MOD Single : A 90 TYR OH : rot 180:sc= -1.78! USER MOD Single : A 96 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 97 HIS : no HD1:sc= -0.131 X(o=-0.13,f=-0.018) USER MOD Single : A 98 HIS : no HE2:sc= 0.617 K(o=0.62,f=-6.1!) USER MOD Single : A 99 HIS : no HD1:sc= -0.368 X(o=-0.37,f=-0.057) USER MOD Single : A 100 HIS : no HD1:sc= 0.352 K(o=2.2,f=-9.9!) USER MOD Single : A 101 HIS : no HD1:sc= -0.0249 X(o=-0.025,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 21.976 6.632 -7.963 1.00 0.00 N ATOM 2 CA MET A 1 21.586 7.266 -9.246 1.00 0.00 C ATOM 3 C MET A 1 21.896 8.759 -9.233 1.00 0.00 C ATOM 4 O MET A 1 21.482 9.486 -10.135 1.00 0.00 O ATOM 5 CB MET A 1 20.095 7.065 -9.525 1.00 0.00 C ATOM 6 CG MET A 1 19.712 5.632 -9.851 1.00 0.00 C ATOM 7 SD MET A 1 17.983 5.471 -10.343 1.00 0.00 S ATOM 8 CE MET A 1 17.892 3.720 -10.706 1.00 0.00 C ATOM 0 H1 MET A 1 21.649 5.645 -7.950 1.00 0.00 H new ATOM 0 H2 MET A 1 23.011 6.655 -7.865 1.00 0.00 H new ATOM 0 H3 MET A 1 21.542 7.151 -7.173 1.00 0.00 H new ATOM 0 HA MET A 1 22.166 6.786 -10.035 1.00 0.00 H new ATOM 0 HB2 MET A 1 19.526 7.393 -8.655 1.00 0.00 H new ATOM 0 HB3 MET A 1 19.802 7.706 -10.357 1.00 0.00 H new ATOM 0 HG2 MET A 1 20.350 5.263 -10.654 1.00 0.00 H new ATOM 0 HG3 MET A 1 19.898 5.003 -8.981 1.00 0.00 H new ATOM 0 HE1 MET A 1 16.881 3.467 -11.025 1.00 0.00 H new ATOM 0 HE2 MET A 1 18.595 3.477 -11.502 1.00 0.00 H new ATOM 0 HE3 MET A 1 18.145 3.150 -9.812 1.00 0.00 H new ATOM 20 N MET A 2 22.635 9.204 -8.214 1.00 0.00 N ATOM 21 CA MET A 2 22.949 10.621 -8.027 1.00 0.00 C ATOM 22 C MET A 2 21.680 11.443 -7.881 1.00 0.00 C ATOM 23 O MET A 2 21.188 12.028 -8.846 1.00 0.00 O ATOM 24 CB MET A 2 23.808 11.169 -9.170 1.00 0.00 C ATOM 25 CG MET A 2 25.216 10.606 -9.192 1.00 0.00 C ATOM 26 SD MET A 2 26.056 10.803 -7.607 1.00 0.00 S ATOM 27 CE MET A 2 27.681 10.170 -8.012 1.00 0.00 C ATOM 0 H MET A 2 23.031 8.594 -7.498 1.00 0.00 H new ATOM 0 HA MET A 2 23.527 10.703 -7.107 1.00 0.00 H new ATOM 0 HB2 MET A 2 23.321 10.946 -10.119 1.00 0.00 H new ATOM 0 HB3 MET A 2 23.860 12.255 -9.086 1.00 0.00 H new ATOM 0 HG2 MET A 2 25.178 9.548 -9.452 1.00 0.00 H new ATOM 0 HG3 MET A 2 25.793 11.105 -9.971 1.00 0.00 H new ATOM 0 HE1 MET A 2 28.322 10.224 -7.132 1.00 0.00 H new ATOM 0 HE2 MET A 2 27.597 9.133 -8.337 1.00 0.00 H new ATOM 0 HE3 MET A 2 28.115 10.767 -8.814 1.00 0.00 H new ATOM 37 N PHE A 3 21.141 11.472 -6.675 1.00 0.00 N ATOM 38 CA PHE A 3 19.905 12.189 -6.425 1.00 0.00 C ATOM 39 C PHE A 3 20.162 13.462 -5.628 1.00 0.00 C ATOM 40 O PHE A 3 20.580 13.421 -4.469 1.00 0.00 O ATOM 41 CB PHE A 3 18.870 11.290 -5.723 1.00 0.00 C ATOM 42 CG PHE A 3 19.313 10.703 -4.404 1.00 0.00 C ATOM 43 CD1 PHE A 3 20.183 9.625 -4.364 1.00 0.00 C ATOM 44 CD2 PHE A 3 18.849 11.228 -3.206 1.00 0.00 C ATOM 45 CE1 PHE A 3 20.584 9.084 -3.158 1.00 0.00 C ATOM 46 CE2 PHE A 3 19.249 10.691 -1.997 1.00 0.00 C ATOM 47 CZ PHE A 3 20.117 9.618 -1.972 1.00 0.00 C ATOM 0 H PHE A 3 21.538 11.009 -5.857 1.00 0.00 H new ATOM 0 HA PHE A 3 19.488 12.479 -7.389 1.00 0.00 H new ATOM 0 HB2 PHE A 3 17.962 11.870 -5.557 1.00 0.00 H new ATOM 0 HB3 PHE A 3 18.607 10.473 -6.395 1.00 0.00 H new ATOM 0 HD1 PHE A 3 20.552 9.203 -5.287 1.00 0.00 H new ATOM 0 HD2 PHE A 3 18.168 12.066 -3.219 1.00 0.00 H new ATOM 0 HE1 PHE A 3 21.262 8.244 -3.142 1.00 0.00 H new ATOM 0 HE2 PHE A 3 18.882 11.111 -1.072 1.00 0.00 H new ATOM 0 HZ PHE A 3 20.430 9.197 -1.028 1.00 0.00 H new ATOM 57 N LEU A 4 19.945 14.593 -6.277 1.00 0.00 N ATOM 58 CA LEU A 4 20.044 15.885 -5.619 1.00 0.00 C ATOM 59 C LEU A 4 18.657 16.306 -5.168 1.00 0.00 C ATOM 60 O LEU A 4 18.493 17.111 -4.252 1.00 0.00 O ATOM 61 CB LEU A 4 20.643 16.947 -6.552 1.00 0.00 C ATOM 62 CG LEU A 4 22.100 16.723 -6.982 1.00 0.00 C ATOM 63 CD1 LEU A 4 22.975 16.404 -5.777 1.00 0.00 C ATOM 64 CD2 LEU A 4 22.206 15.625 -8.035 1.00 0.00 C ATOM 0 H LEU A 4 19.698 14.643 -7.265 1.00 0.00 H new ATOM 0 HA LEU A 4 20.709 15.795 -4.760 1.00 0.00 H new ATOM 0 HB2 LEU A 4 20.025 17.004 -7.448 1.00 0.00 H new ATOM 0 HB3 LEU A 4 20.576 17.916 -6.057 1.00 0.00 H new ATOM 0 HG LEU A 4 22.460 17.648 -7.432 1.00 0.00 H new ATOM 0 HD11 LEU A 4 24.003 16.249 -6.105 1.00 0.00 H new ATOM 0 HD12 LEU A 4 22.940 17.235 -5.072 1.00 0.00 H new ATOM 0 HD13 LEU A 4 22.609 15.500 -5.291 1.00 0.00 H new ATOM 0 HD21 LEU A 4 23.250 15.492 -8.318 1.00 0.00 H new ATOM 0 HD22 LEU A 4 21.818 14.691 -7.627 1.00 0.00 H new ATOM 0 HD23 LEU A 4 21.625 15.906 -8.914 1.00 0.00 H new ATOM 76 N ARG A 5 17.663 15.746 -5.837 1.00 0.00 N ATOM 77 CA ARG A 5 16.275 15.919 -5.456 1.00 0.00 C ATOM 78 C ARG A 5 15.870 14.805 -4.500 1.00 0.00 C ATOM 79 O ARG A 5 16.722 14.046 -4.033 1.00 0.00 O ATOM 80 CB ARG A 5 15.384 15.908 -6.696 1.00 0.00 C ATOM 81 CG ARG A 5 15.558 17.129 -7.581 1.00 0.00 C ATOM 82 CD ARG A 5 14.678 17.051 -8.815 1.00 0.00 C ATOM 83 NE ARG A 5 14.736 18.276 -9.610 1.00 0.00 N ATOM 84 CZ ARG A 5 14.454 18.337 -10.910 1.00 0.00 C ATOM 85 NH1 ARG A 5 14.188 17.224 -11.587 1.00 0.00 N ATOM 86 NH2 ARG A 5 14.458 19.509 -11.536 1.00 0.00 N ATOM 0 H ARG A 5 17.798 15.159 -6.660 1.00 0.00 H new ATOM 0 HA ARG A 5 16.154 16.880 -4.955 1.00 0.00 H new ATOM 0 HB2 ARG A 5 15.599 15.013 -7.280 1.00 0.00 H new ATOM 0 HB3 ARG A 5 14.342 15.842 -6.384 1.00 0.00 H new ATOM 0 HG2 ARG A 5 15.314 18.028 -7.015 1.00 0.00 H new ATOM 0 HG3 ARG A 5 16.602 17.216 -7.882 1.00 0.00 H new ATOM 0 HD2 ARG A 5 14.989 16.206 -9.429 1.00 0.00 H new ATOM 0 HD3 ARG A 5 13.647 16.863 -8.514 1.00 0.00 H new ATOM 0 HE ARG A 5 15.010 19.139 -9.139 1.00 0.00 H new ATOM 0 HH11 ARG A 5 14.200 16.322 -11.111 1.00 0.00 H new ATOM 0 HH12 ARG A 5 13.972 17.272 -12.583 1.00 0.00 H new ATOM 0 HH21 ARG A 5 14.677 20.362 -11.021 1.00 0.00 H new ATOM 0 HH22 ARG A 5 14.242 19.556 -12.532 1.00 0.00 H new ATOM 100 N LYS A 6 14.586 14.696 -4.208 1.00 0.00 N ATOM 101 CA LYS A 6 14.128 13.691 -3.266 1.00 0.00 C ATOM 102 C LYS A 6 13.406 12.547 -3.969 1.00 0.00 C ATOM 103 O LYS A 6 12.295 12.700 -4.478 1.00 0.00 O ATOM 104 CB LYS A 6 13.242 14.319 -2.184 1.00 0.00 C ATOM 105 CG LYS A 6 12.036 15.087 -2.714 1.00 0.00 C ATOM 106 CD LYS A 6 11.315 15.822 -1.599 1.00 0.00 C ATOM 107 CE LYS A 6 12.208 16.878 -0.970 1.00 0.00 C ATOM 108 NZ LYS A 6 11.629 17.423 0.285 1.00 0.00 N ATOM 0 H LYS A 6 13.851 15.282 -4.603 1.00 0.00 H new ATOM 0 HA LYS A 6 15.009 13.270 -2.782 1.00 0.00 H new ATOM 0 HB2 LYS A 6 12.890 13.530 -1.519 1.00 0.00 H new ATOM 0 HB3 LYS A 6 13.850 14.995 -1.583 1.00 0.00 H new ATOM 0 HG2 LYS A 6 12.361 15.800 -3.472 1.00 0.00 H new ATOM 0 HG3 LYS A 6 11.348 14.396 -3.201 1.00 0.00 H new ATOM 0 HD2 LYS A 6 10.414 16.292 -1.993 1.00 0.00 H new ATOM 0 HD3 LYS A 6 10.997 15.110 -0.837 1.00 0.00 H new ATOM 0 HE2 LYS A 6 13.187 16.446 -0.760 1.00 0.00 H new ATOM 0 HE3 LYS A 6 12.364 17.690 -1.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 12.270 18.140 0.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 10.707 17.858 0.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 11.504 16.653 0.973 1.00 0.00 H new ATOM 122 N VAL A 7 14.060 11.397 -4.000 1.00 0.00 N ATOM 123 CA VAL A 7 13.463 10.192 -4.553 1.00 0.00 C ATOM 124 C VAL A 7 13.006 9.309 -3.405 1.00 0.00 C ATOM 125 O VAL A 7 12.562 8.174 -3.581 1.00 0.00 O ATOM 126 CB VAL A 7 14.461 9.428 -5.458 1.00 0.00 C ATOM 127 CG1 VAL A 7 13.759 8.355 -6.278 1.00 0.00 C ATOM 128 CG2 VAL A 7 15.201 10.389 -6.374 1.00 0.00 C ATOM 0 H VAL A 7 15.009 11.273 -3.647 1.00 0.00 H new ATOM 0 HA VAL A 7 12.612 10.469 -5.176 1.00 0.00 H new ATOM 0 HB VAL A 7 15.184 8.937 -4.807 1.00 0.00 H new ATOM 0 HG11 VAL A 7 14.488 7.838 -6.902 1.00 0.00 H new ATOM 0 HG12 VAL A 7 13.282 7.639 -5.608 1.00 0.00 H new ATOM 0 HG13 VAL A 7 13.003 8.818 -6.912 1.00 0.00 H new ATOM 0 HG21 VAL A 7 15.897 9.831 -7.001 1.00 0.00 H new ATOM 0 HG22 VAL A 7 14.484 10.914 -7.006 1.00 0.00 H new ATOM 0 HG23 VAL A 7 15.753 11.112 -5.773 1.00 0.00 H new ATOM 138 N GLU A 8 13.099 9.875 -2.220 1.00 0.00 N ATOM 139 CA GLU A 8 12.744 9.177 -1.003 1.00 0.00 C ATOM 140 C GLU A 8 11.258 9.372 -0.728 1.00 0.00 C ATOM 141 O GLU A 8 10.857 10.308 -0.029 1.00 0.00 O ATOM 142 CB GLU A 8 13.581 9.690 0.175 1.00 0.00 C ATOM 143 CG GLU A 8 15.039 9.979 -0.173 1.00 0.00 C ATOM 144 CD GLU A 8 15.752 8.803 -0.816 1.00 0.00 C ATOM 145 OE1 GLU A 8 16.054 7.822 -0.104 1.00 0.00 O ATOM 146 OE2 GLU A 8 16.019 8.858 -2.034 1.00 0.00 O ATOM 0 H GLU A 8 13.423 10.831 -2.074 1.00 0.00 H new ATOM 0 HA GLU A 8 12.951 8.114 -1.124 1.00 0.00 H new ATOM 0 HB2 GLU A 8 13.124 10.601 0.562 1.00 0.00 H new ATOM 0 HB3 GLU A 8 13.550 8.952 0.977 1.00 0.00 H new ATOM 0 HG2 GLU A 8 15.081 10.833 -0.849 1.00 0.00 H new ATOM 0 HG3 GLU A 8 15.571 10.265 0.734 1.00 0.00 H new ATOM 153 N GLY A 9 10.446 8.505 -1.313 1.00 0.00 N ATOM 154 CA GLY A 9 9.007 8.654 -1.226 1.00 0.00 C ATOM 155 C GLY A 9 8.507 9.812 -2.076 1.00 0.00 C ATOM 156 O GLY A 9 8.033 10.817 -1.539 1.00 0.00 O ATOM 0 H GLY A 9 10.759 7.696 -1.850 1.00 0.00 H new ATOM 0 HA2 GLY A 9 8.526 7.731 -1.550 1.00 0.00 H new ATOM 0 HA3 GLY A 9 8.720 8.815 -0.187 1.00 0.00 H new ATOM 160 N PRO A 10 8.617 9.707 -3.413 1.00 0.00 N ATOM 161 CA PRO A 10 8.176 10.761 -4.330 1.00 0.00 C ATOM 162 C PRO A 10 6.660 10.769 -4.521 1.00 0.00 C ATOM 163 O PRO A 10 5.910 10.334 -3.648 1.00 0.00 O ATOM 164 CB PRO A 10 8.891 10.399 -5.633 1.00 0.00 C ATOM 165 CG PRO A 10 9.032 8.918 -5.587 1.00 0.00 C ATOM 166 CD PRO A 10 9.182 8.551 -4.136 1.00 0.00 C ATOM 0 HA PRO A 10 8.411 11.760 -3.962 1.00 0.00 H new ATOM 0 HB2 PRO A 10 8.314 10.715 -6.502 1.00 0.00 H new ATOM 0 HB3 PRO A 10 9.863 10.888 -5.700 1.00 0.00 H new ATOM 0 HG2 PRO A 10 8.160 8.431 -6.023 1.00 0.00 H new ATOM 0 HG3 PRO A 10 9.899 8.592 -6.162 1.00 0.00 H new ATOM 0 HD2 PRO A 10 8.646 7.632 -3.900 1.00 0.00 H new ATOM 0 HD3 PRO A 10 10.227 8.387 -3.872 1.00 0.00 H new ATOM 174 N ARG A 11 6.202 11.302 -5.649 1.00 0.00 N ATOM 175 CA ARG A 11 4.777 11.328 -5.946 1.00 0.00 C ATOM 176 C ARG A 11 4.389 10.138 -6.800 1.00 0.00 C ATOM 177 O ARG A 11 3.406 9.456 -6.524 1.00 0.00 O ATOM 178 CB ARG A 11 4.387 12.633 -6.643 1.00 0.00 C ATOM 179 CG ARG A 11 4.626 13.879 -5.802 1.00 0.00 C ATOM 180 CD ARG A 11 3.861 13.832 -4.481 1.00 0.00 C ATOM 181 NE ARG A 11 4.487 12.935 -3.504 1.00 0.00 N ATOM 182 CZ ARG A 11 4.738 13.260 -2.233 1.00 0.00 C ATOM 183 NH1 ARG A 11 4.394 14.452 -1.759 1.00 0.00 N ATOM 184 NH2 ARG A 11 5.335 12.384 -1.437 1.00 0.00 N ATOM 0 H ARG A 11 6.794 11.719 -6.368 1.00 0.00 H new ATOM 0 HA ARG A 11 4.235 11.270 -5.002 1.00 0.00 H new ATOM 0 HB2 ARG A 11 4.951 12.720 -7.571 1.00 0.00 H new ATOM 0 HB3 ARG A 11 3.332 12.587 -6.914 1.00 0.00 H new ATOM 0 HG2 ARG A 11 5.692 13.981 -5.600 1.00 0.00 H new ATOM 0 HG3 ARG A 11 4.322 14.761 -6.366 1.00 0.00 H new ATOM 0 HD2 ARG A 11 3.802 14.837 -4.062 1.00 0.00 H new ATOM 0 HD3 ARG A 11 2.838 13.504 -4.668 1.00 0.00 H new ATOM 0 HE ARG A 11 4.748 12.000 -3.816 1.00 0.00 H new ATOM 0 HH11 ARG A 11 3.934 15.129 -2.367 1.00 0.00 H new ATOM 0 HH12 ARG A 11 4.590 14.690 -0.787 1.00 0.00 H new ATOM 0 HH21 ARG A 11 5.600 11.467 -1.796 1.00 0.00 H new ATOM 0 HH22 ARG A 11 5.529 12.627 -0.466 1.00 0.00 H new ATOM 198 N SER A 12 5.161 9.894 -7.844 1.00 0.00 N ATOM 199 CA SER A 12 4.950 8.729 -8.682 1.00 0.00 C ATOM 200 C SER A 12 6.119 7.769 -8.547 1.00 0.00 C ATOM 201 O SER A 12 7.277 8.186 -8.489 1.00 0.00 O ATOM 202 CB SER A 12 4.765 9.125 -10.145 1.00 0.00 C ATOM 203 OG SER A 12 4.426 8.001 -10.942 1.00 0.00 O ATOM 0 H SER A 12 5.939 10.487 -8.131 1.00 0.00 H new ATOM 0 HA SER A 12 4.038 8.235 -8.347 1.00 0.00 H new ATOM 0 HB2 SER A 12 3.982 9.879 -10.224 1.00 0.00 H new ATOM 0 HB3 SER A 12 5.683 9.577 -10.521 1.00 0.00 H new ATOM 0 HG SER A 12 3.897 7.370 -10.410 1.00 0.00 H new ATOM 209 N VAL A 13 5.803 6.489 -8.509 1.00 0.00 N ATOM 210 CA VAL A 13 6.801 5.446 -8.344 1.00 0.00 C ATOM 211 C VAL A 13 6.615 4.359 -9.388 1.00 0.00 C ATOM 212 O VAL A 13 5.500 4.130 -9.860 1.00 0.00 O ATOM 213 CB VAL A 13 6.712 4.806 -6.944 1.00 0.00 C ATOM 214 CG1 VAL A 13 7.191 5.782 -5.881 1.00 0.00 C ATOM 215 CG2 VAL A 13 5.284 4.350 -6.659 1.00 0.00 C ATOM 0 H VAL A 13 4.848 6.141 -8.591 1.00 0.00 H new ATOM 0 HA VAL A 13 7.779 5.912 -8.465 1.00 0.00 H new ATOM 0 HB VAL A 13 7.362 3.931 -6.919 1.00 0.00 H new ATOM 0 HG11 VAL A 13 7.121 5.314 -4.899 1.00 0.00 H new ATOM 0 HG12 VAL A 13 8.227 6.056 -6.079 1.00 0.00 H new ATOM 0 HG13 VAL A 13 6.568 6.677 -5.901 1.00 0.00 H new ATOM 0 HG21 VAL A 13 5.237 3.900 -5.667 1.00 0.00 H new ATOM 0 HG22 VAL A 13 4.613 5.208 -6.701 1.00 0.00 H new ATOM 0 HG23 VAL A 13 4.981 3.616 -7.405 1.00 0.00 H new ATOM 225 N THR A 14 7.702 3.712 -9.769 1.00 0.00 N ATOM 226 CA THR A 14 7.615 2.558 -10.639 1.00 0.00 C ATOM 227 C THR A 14 7.646 1.288 -9.808 1.00 0.00 C ATOM 228 O THR A 14 8.693 0.893 -9.294 1.00 0.00 O ATOM 229 CB THR A 14 8.753 2.529 -11.677 1.00 0.00 C ATOM 230 OG1 THR A 14 8.778 3.764 -12.406 1.00 0.00 O ATOM 231 CG2 THR A 14 8.580 1.364 -12.644 1.00 0.00 C ATOM 0 H THR A 14 8.650 3.966 -9.490 1.00 0.00 H new ATOM 0 HA THR A 14 6.674 2.625 -11.184 1.00 0.00 H new ATOM 0 HB THR A 14 9.696 2.399 -11.147 1.00 0.00 H new ATOM 0 HG1 THR A 14 9.504 3.741 -13.063 1.00 0.00 H new ATOM 0 HG21 THR A 14 9.396 1.366 -13.366 1.00 0.00 H new ATOM 0 HG22 THR A 14 8.589 0.426 -12.089 1.00 0.00 H new ATOM 0 HG23 THR A 14 7.630 1.465 -13.169 1.00 0.00 H new ATOM 239 N LEU A 15 6.487 0.678 -9.648 1.00 0.00 N ATOM 240 CA LEU A 15 6.370 -0.559 -8.902 1.00 0.00 C ATOM 241 C LEU A 15 7.110 -1.667 -9.642 1.00 0.00 C ATOM 242 O LEU A 15 7.062 -1.725 -10.873 1.00 0.00 O ATOM 243 CB LEU A 15 4.893 -0.939 -8.733 1.00 0.00 C ATOM 244 CG LEU A 15 4.016 0.125 -8.068 1.00 0.00 C ATOM 245 CD1 LEU A 15 2.560 -0.316 -8.061 1.00 0.00 C ATOM 246 CD2 LEU A 15 4.489 0.406 -6.651 1.00 0.00 C ATOM 0 H LEU A 15 5.606 1.023 -10.029 1.00 0.00 H new ATOM 0 HA LEU A 15 6.810 -0.425 -7.914 1.00 0.00 H new ATOM 0 HB2 LEU A 15 4.479 -1.166 -9.715 1.00 0.00 H new ATOM 0 HB3 LEU A 15 4.835 -1.854 -8.144 1.00 0.00 H new ATOM 0 HG LEU A 15 4.100 1.045 -8.646 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.950 0.451 -7.585 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.220 -0.466 -9.086 1.00 0.00 H new ATOM 0 HD13 LEU A 15 2.465 -1.250 -7.507 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.851 1.165 -6.198 1.00 0.00 H new ATOM 0 HD22 LEU A 15 4.438 -0.510 -6.062 1.00 0.00 H new ATOM 0 HD23 LEU A 15 5.518 0.764 -6.675 1.00 0.00 H new ATOM 258 N PRO A 16 7.798 -2.563 -8.912 1.00 0.00 N ATOM 259 CA PRO A 16 8.531 -3.693 -9.509 1.00 0.00 C ATOM 260 C PRO A 16 7.596 -4.653 -10.237 1.00 0.00 C ATOM 261 O PRO A 16 8.034 -5.598 -10.893 1.00 0.00 O ATOM 262 CB PRO A 16 9.185 -4.388 -8.308 1.00 0.00 C ATOM 263 CG PRO A 16 9.161 -3.374 -7.217 1.00 0.00 C ATOM 264 CD PRO A 16 7.933 -2.545 -7.450 1.00 0.00 C ATOM 0 HA PRO A 16 9.251 -3.361 -10.257 1.00 0.00 H new ATOM 0 HB2 PRO A 16 8.636 -5.286 -8.025 1.00 0.00 H new ATOM 0 HB3 PRO A 16 10.205 -4.697 -8.538 1.00 0.00 H new ATOM 0 HG2 PRO A 16 9.128 -3.854 -6.239 1.00 0.00 H new ATOM 0 HG3 PRO A 16 10.059 -2.756 -7.239 1.00 0.00 H new ATOM 0 HD2 PRO A 16 7.059 -2.971 -6.958 1.00 0.00 H new ATOM 0 HD3 PRO A 16 8.051 -1.531 -7.068 1.00 0.00 H new ATOM 272 N ASP A 17 6.305 -4.388 -10.104 1.00 0.00 N ATOM 273 CA ASP A 17 5.269 -5.158 -10.776 1.00 0.00 C ATOM 274 C ASP A 17 5.166 -4.733 -12.236 1.00 0.00 C ATOM 275 O ASP A 17 4.678 -5.479 -13.085 1.00 0.00 O ATOM 276 CB ASP A 17 3.932 -4.943 -10.059 1.00 0.00 C ATOM 277 CG ASP A 17 2.792 -5.728 -10.673 1.00 0.00 C ATOM 278 OD1 ASP A 17 2.825 -6.976 -10.618 1.00 0.00 O ATOM 279 OD2 ASP A 17 1.852 -5.100 -11.205 1.00 0.00 O ATOM 0 H ASP A 17 5.945 -3.630 -9.525 1.00 0.00 H new ATOM 0 HA ASP A 17 5.524 -6.217 -10.744 1.00 0.00 H new ATOM 0 HB2 ASP A 17 4.039 -5.228 -9.012 1.00 0.00 H new ATOM 0 HB3 ASP A 17 3.684 -3.882 -10.076 1.00 0.00 H new ATOM 284 N GLY A 18 5.667 -3.536 -12.524 1.00 0.00 N ATOM 285 CA GLY A 18 5.610 -2.997 -13.868 1.00 0.00 C ATOM 286 C GLY A 18 4.509 -1.969 -14.018 1.00 0.00 C ATOM 287 O GLY A 18 3.821 -1.924 -15.038 1.00 0.00 O ATOM 0 H GLY A 18 6.116 -2.925 -11.842 1.00 0.00 H new ATOM 0 HA2 GLY A 18 6.568 -2.541 -14.117 1.00 0.00 H new ATOM 0 HA3 GLY A 18 5.448 -3.808 -14.578 1.00 0.00 H new ATOM 291 N SER A 19 4.347 -1.141 -13.002 1.00 0.00 N ATOM 292 CA SER A 19 3.285 -0.154 -12.988 1.00 0.00 C ATOM 293 C SER A 19 3.790 1.169 -12.426 1.00 0.00 C ATOM 294 O SER A 19 4.473 1.197 -11.401 1.00 0.00 O ATOM 295 CB SER A 19 2.106 -0.675 -12.157 1.00 0.00 C ATOM 296 OG SER A 19 1.094 0.308 -12.009 1.00 0.00 O ATOM 0 H SER A 19 4.941 -1.133 -12.173 1.00 0.00 H new ATOM 0 HA SER A 19 2.950 0.019 -14.011 1.00 0.00 H new ATOM 0 HB2 SER A 19 1.687 -1.560 -12.635 1.00 0.00 H new ATOM 0 HB3 SER A 19 2.462 -0.982 -11.174 1.00 0.00 H new ATOM 0 HG SER A 19 0.358 -0.058 -11.476 1.00 0.00 H new ATOM 302 N ILE A 20 3.474 2.259 -13.110 1.00 0.00 N ATOM 303 CA ILE A 20 3.795 3.580 -12.602 1.00 0.00 C ATOM 304 C ILE A 20 2.616 4.118 -11.804 1.00 0.00 C ATOM 305 O ILE A 20 1.547 4.391 -12.349 1.00 0.00 O ATOM 306 CB ILE A 20 4.190 4.565 -13.728 1.00 0.00 C ATOM 307 CG1 ILE A 20 3.184 4.514 -14.883 1.00 0.00 C ATOM 308 CG2 ILE A 20 5.596 4.253 -14.222 1.00 0.00 C ATOM 309 CD1 ILE A 20 3.504 5.470 -16.014 1.00 0.00 C ATOM 0 H ILE A 20 2.999 2.253 -14.012 1.00 0.00 H new ATOM 0 HA ILE A 20 4.665 3.486 -11.952 1.00 0.00 H new ATOM 0 HB ILE A 20 4.176 5.577 -13.323 1.00 0.00 H new ATOM 0 HG12 ILE A 20 3.148 3.498 -15.277 1.00 0.00 H new ATOM 0 HG13 ILE A 20 2.190 4.741 -14.497 1.00 0.00 H new ATOM 0 HG21 ILE A 20 5.866 4.951 -15.014 1.00 0.00 H new ATOM 0 HG22 ILE A 20 6.301 4.350 -13.397 1.00 0.00 H new ATOM 0 HG23 ILE A 20 5.628 3.234 -14.609 1.00 0.00 H new ATOM 0 HD11 ILE A 20 2.748 5.377 -16.794 1.00 0.00 H new ATOM 0 HD12 ILE A 20 3.511 6.492 -15.636 1.00 0.00 H new ATOM 0 HD13 ILE A 20 4.484 5.230 -16.427 1.00 0.00 H new ATOM 321 N MET A 21 2.811 4.251 -10.506 1.00 0.00 N ATOM 322 CA MET A 21 1.723 4.595 -9.611 1.00 0.00 C ATOM 323 C MET A 21 1.824 6.058 -9.224 1.00 0.00 C ATOM 324 O MET A 21 2.906 6.538 -8.881 1.00 0.00 O ATOM 325 CB MET A 21 1.766 3.708 -8.363 1.00 0.00 C ATOM 326 CG MET A 21 0.442 3.619 -7.621 1.00 0.00 C ATOM 327 SD MET A 21 -0.846 2.838 -8.610 1.00 0.00 S ATOM 328 CE MET A 21 -2.213 2.883 -7.457 1.00 0.00 C ATOM 0 H MET A 21 3.714 4.126 -10.048 1.00 0.00 H new ATOM 0 HA MET A 21 0.774 4.428 -10.120 1.00 0.00 H new ATOM 0 HB2 MET A 21 2.076 2.704 -8.654 1.00 0.00 H new ATOM 0 HB3 MET A 21 2.527 4.092 -7.683 1.00 0.00 H new ATOM 0 HG2 MET A 21 0.582 3.054 -6.699 1.00 0.00 H new ATOM 0 HG3 MET A 21 0.120 4.620 -7.335 1.00 0.00 H new ATOM 0 HE1 MET A 21 -3.146 2.706 -7.992 1.00 0.00 H new ATOM 0 HE2 MET A 21 -2.076 2.111 -6.700 1.00 0.00 H new ATOM 0 HE3 MET A 21 -2.251 3.860 -6.975 1.00 0.00 H new ATOM 338 N THR A 22 0.717 6.769 -9.313 1.00 0.00 N ATOM 339 CA THR A 22 0.698 8.179 -8.977 1.00 0.00 C ATOM 340 C THR A 22 -0.307 8.443 -7.863 1.00 0.00 C ATOM 341 O THR A 22 -1.037 7.542 -7.445 1.00 0.00 O ATOM 342 CB THR A 22 0.348 9.056 -10.202 1.00 0.00 C ATOM 343 OG1 THR A 22 -1.010 8.841 -10.602 1.00 0.00 O ATOM 344 CG2 THR A 22 1.267 8.746 -11.375 1.00 0.00 C ATOM 0 H THR A 22 -0.182 6.393 -9.615 1.00 0.00 H new ATOM 0 HA THR A 22 1.700 8.446 -8.641 1.00 0.00 H new ATOM 0 HB THR A 22 0.482 10.098 -9.910 1.00 0.00 H new ATOM 0 HG1 THR A 22 -1.098 7.947 -10.993 1.00 0.00 H new ATOM 0 HG21 THR A 22 1.000 9.376 -12.223 1.00 0.00 H new ATOM 0 HG22 THR A 22 2.300 8.942 -11.089 1.00 0.00 H new ATOM 0 HG23 THR A 22 1.160 7.698 -11.654 1.00 0.00 H new ATOM 352 N ARG A 23 -0.349 9.682 -7.399 1.00 0.00 N ATOM 353 CA ARG A 23 -1.278 10.090 -6.352 1.00 0.00 C ATOM 354 C ARG A 23 -2.714 10.040 -6.882 1.00 0.00 C ATOM 355 O ARG A 23 -3.672 9.899 -6.120 1.00 0.00 O ATOM 356 CB ARG A 23 -0.928 11.514 -5.892 1.00 0.00 C ATOM 357 CG ARG A 23 -1.207 11.809 -4.421 1.00 0.00 C ATOM 358 CD ARG A 23 -2.693 11.906 -4.116 1.00 0.00 C ATOM 359 NE ARG A 23 -2.936 12.383 -2.759 1.00 0.00 N ATOM 360 CZ ARG A 23 -4.021 12.100 -2.040 1.00 0.00 C ATOM 361 NH1 ARG A 23 -4.989 11.343 -2.545 1.00 0.00 N ATOM 362 NH2 ARG A 23 -4.142 12.589 -0.817 1.00 0.00 N ATOM 0 H ARG A 23 0.256 10.432 -7.734 1.00 0.00 H new ATOM 0 HA ARG A 23 -1.197 9.409 -5.504 1.00 0.00 H new ATOM 0 HB2 ARG A 23 0.129 11.692 -6.087 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -1.489 12.223 -6.501 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -0.764 11.025 -3.807 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -0.721 12.744 -4.143 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -3.167 12.580 -4.829 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -3.156 10.928 -4.246 1.00 0.00 H new ATOM 0 HE ARG A 23 -2.225 12.975 -2.330 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -4.905 10.973 -3.492 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -5.816 11.132 -1.986 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -3.407 13.180 -0.429 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -4.971 12.375 -0.262 1.00 0.00 H new ATOM 376 N ALA A 24 -2.848 10.128 -8.200 1.00 0.00 N ATOM 377 CA ALA A 24 -4.157 10.181 -8.843 1.00 0.00 C ATOM 378 C ALA A 24 -4.746 8.786 -9.044 1.00 0.00 C ATOM 379 O ALA A 24 -5.905 8.645 -9.428 1.00 0.00 O ATOM 380 CB ALA A 24 -4.045 10.900 -10.179 1.00 0.00 C ATOM 0 H ALA A 24 -2.061 10.164 -8.848 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.832 10.731 -8.187 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -5.025 10.937 -10.655 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.682 11.915 -10.017 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.348 10.364 -10.823 1.00 0.00 H new ATOM 386 N ASP A 25 -3.951 7.759 -8.783 1.00 0.00 N ATOM 387 CA ASP A 25 -4.413 6.386 -8.956 1.00 0.00 C ATOM 388 C ASP A 25 -4.898 5.815 -7.634 1.00 0.00 C ATOM 389 O ASP A 25 -5.304 4.657 -7.553 1.00 0.00 O ATOM 390 CB ASP A 25 -3.296 5.499 -9.505 1.00 0.00 C ATOM 391 CG ASP A 25 -2.753 5.972 -10.835 1.00 0.00 C ATOM 392 OD1 ASP A 25 -3.517 6.012 -11.821 1.00 0.00 O ATOM 393 OD2 ASP A 25 -1.552 6.310 -10.901 1.00 0.00 O ATOM 0 H ASP A 25 -2.990 7.847 -8.453 1.00 0.00 H new ATOM 0 HA ASP A 25 -5.238 6.403 -9.669 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -2.482 5.462 -8.781 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -3.671 4.481 -9.615 1.00 0.00 H new ATOM 398 N LEU A 26 -4.844 6.633 -6.597 1.00 0.00 N ATOM 399 CA LEU A 26 -5.199 6.191 -5.260 1.00 0.00 C ATOM 400 C LEU A 26 -6.615 6.622 -4.892 1.00 0.00 C ATOM 401 O LEU A 26 -7.015 7.754 -5.160 1.00 0.00 O ATOM 402 CB LEU A 26 -4.209 6.755 -4.238 1.00 0.00 C ATOM 403 CG LEU A 26 -2.755 6.315 -4.429 1.00 0.00 C ATOM 404 CD1 LEU A 26 -1.856 7.009 -3.419 1.00 0.00 C ATOM 405 CD2 LEU A 26 -2.631 4.805 -4.303 1.00 0.00 C ATOM 0 H LEU A 26 -4.557 7.610 -6.656 1.00 0.00 H new ATOM 0 HA LEU A 26 -5.157 5.102 -5.247 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.251 7.843 -4.278 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.533 6.460 -3.240 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.437 6.601 -5.431 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.825 6.686 -3.567 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.921 8.088 -3.555 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.176 6.751 -2.409 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.590 4.513 -4.442 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.966 4.494 -3.314 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -3.247 4.325 -5.063 1.00 0.00 H new ATOM 417 N PRO A 27 -7.397 5.703 -4.303 1.00 0.00 N ATOM 418 CA PRO A 27 -8.707 6.017 -3.720 1.00 0.00 C ATOM 419 C PRO A 27 -8.550 6.959 -2.525 1.00 0.00 C ATOM 420 O PRO A 27 -8.054 6.545 -1.477 1.00 0.00 O ATOM 421 CB PRO A 27 -9.236 4.650 -3.260 1.00 0.00 C ATOM 422 CG PRO A 27 -8.416 3.647 -3.999 1.00 0.00 C ATOM 423 CD PRO A 27 -7.067 4.278 -4.166 1.00 0.00 C ATOM 0 HA PRO A 27 -9.375 6.518 -4.421 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -9.130 4.529 -2.182 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -10.296 4.540 -3.490 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -8.346 2.712 -3.444 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -8.861 3.411 -4.965 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -6.423 4.092 -3.307 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -6.546 3.896 -5.044 1.00 0.00 H new ATOM 431 N PRO A 28 -8.950 8.240 -2.669 1.00 0.00 N ATOM 432 CA PRO A 28 -8.772 9.257 -1.620 1.00 0.00 C ATOM 433 C PRO A 28 -9.732 9.060 -0.452 1.00 0.00 C ATOM 434 O PRO A 28 -10.563 9.924 -0.163 1.00 0.00 O ATOM 435 CB PRO A 28 -9.073 10.566 -2.350 1.00 0.00 C ATOM 436 CG PRO A 28 -9.998 10.187 -3.452 1.00 0.00 C ATOM 437 CD PRO A 28 -9.601 8.798 -3.871 1.00 0.00 C ATOM 0 HA PRO A 28 -7.778 9.219 -1.175 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -9.532 11.294 -1.682 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -8.161 11.020 -2.738 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -11.035 10.211 -3.116 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -9.917 10.884 -4.286 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -10.467 8.207 -4.168 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -8.921 8.816 -4.722 1.00 0.00 H new ATOM 445 N ALA A 29 -9.611 7.904 0.199 1.00 0.00 N ATOM 446 CA ALA A 29 -10.485 7.506 1.300 1.00 0.00 C ATOM 447 C ALA A 29 -11.915 7.303 0.816 1.00 0.00 C ATOM 448 O ALA A 29 -12.831 7.115 1.613 1.00 0.00 O ATOM 449 CB ALA A 29 -10.435 8.515 2.441 1.00 0.00 C ATOM 0 H ALA A 29 -8.897 7.211 -0.026 1.00 0.00 H new ATOM 0 HA ALA A 29 -10.119 6.554 1.684 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -11.096 8.189 3.244 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -9.415 8.588 2.818 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -10.758 9.491 2.078 1.00 0.00 H new ATOM 455 N ASN A 30 -12.091 7.321 -0.499 1.00 0.00 N ATOM 456 CA ASN A 30 -13.384 7.103 -1.105 1.00 0.00 C ATOM 457 C ASN A 30 -13.216 6.845 -2.594 1.00 0.00 C ATOM 458 O ASN A 30 -12.717 7.677 -3.352 1.00 0.00 O ATOM 459 CB ASN A 30 -14.345 8.284 -0.850 1.00 0.00 C ATOM 460 CG ASN A 30 -14.103 9.484 -1.749 1.00 0.00 C ATOM 461 OD1 ASN A 30 -14.757 9.647 -2.783 1.00 0.00 O ATOM 462 ND2 ASN A 30 -13.152 10.317 -1.375 1.00 0.00 N ATOM 0 H ASN A 30 -11.339 7.487 -1.168 1.00 0.00 H new ATOM 0 HA ASN A 30 -13.834 6.226 -0.641 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -15.370 7.941 -0.988 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -14.251 8.597 0.190 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -12.934 11.132 -1.948 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -12.635 10.146 -0.513 1.00 0.00 H new ATOM 469 N THR A 31 -13.540 5.642 -2.971 1.00 0.00 N ATOM 470 CA THR A 31 -13.679 5.280 -4.369 1.00 0.00 C ATOM 471 C THR A 31 -15.118 4.828 -4.608 1.00 0.00 C ATOM 472 O THR A 31 -15.818 4.469 -3.659 1.00 0.00 O ATOM 473 CB THR A 31 -12.689 4.166 -4.783 1.00 0.00 C ATOM 474 OG1 THR A 31 -12.826 3.868 -6.180 1.00 0.00 O ATOM 475 CG2 THR A 31 -12.913 2.903 -3.973 1.00 0.00 C ATOM 0 H THR A 31 -13.718 4.875 -2.322 1.00 0.00 H new ATOM 0 HA THR A 31 -13.445 6.151 -4.982 1.00 0.00 H new ATOM 0 HB THR A 31 -11.681 4.531 -4.587 1.00 0.00 H new ATOM 0 HG1 THR A 31 -12.916 2.900 -6.301 1.00 0.00 H new ATOM 0 HG21 THR A 31 -12.202 2.139 -4.287 1.00 0.00 H new ATOM 0 HG22 THR A 31 -12.769 3.119 -2.914 1.00 0.00 H new ATOM 0 HG23 THR A 31 -13.929 2.542 -4.135 1.00 0.00 H new ATOM 483 N ARG A 32 -15.562 4.856 -5.857 1.00 0.00 N ATOM 484 CA ARG A 32 -16.939 4.496 -6.182 1.00 0.00 C ATOM 485 C ARG A 32 -17.197 3.008 -5.964 1.00 0.00 C ATOM 486 O ARG A 32 -18.337 2.601 -5.741 1.00 0.00 O ATOM 487 CB ARG A 32 -17.269 4.893 -7.622 1.00 0.00 C ATOM 488 CG ARG A 32 -17.403 6.395 -7.825 1.00 0.00 C ATOM 489 CD ARG A 32 -18.685 6.942 -7.204 1.00 0.00 C ATOM 490 NE ARG A 32 -18.698 6.840 -5.742 1.00 0.00 N ATOM 491 CZ ARG A 32 -19.745 6.414 -5.033 1.00 0.00 C ATOM 492 NH1 ARG A 32 -20.843 5.995 -5.655 1.00 0.00 N ATOM 493 NH2 ARG A 32 -19.687 6.391 -3.705 1.00 0.00 N ATOM 0 H ARG A 32 -14.993 5.123 -6.660 1.00 0.00 H new ATOM 0 HA ARG A 32 -17.594 5.046 -5.507 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -16.489 4.514 -8.282 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -18.200 4.410 -7.919 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -16.543 6.899 -7.384 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -17.392 6.619 -8.892 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -18.805 7.986 -7.492 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -19.539 6.399 -7.609 1.00 0.00 H new ATOM 0 HE ARG A 32 -17.855 7.111 -5.236 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -20.885 5.999 -6.674 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -21.643 5.669 -5.113 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -18.841 6.699 -3.226 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -20.489 6.065 -3.165 1.00 0.00 H new ATOM 507 N ARG A 33 -16.142 2.205 -6.028 1.00 0.00 N ATOM 508 CA ARG A 33 -16.251 0.777 -5.759 1.00 0.00 C ATOM 509 C ARG A 33 -14.891 0.180 -5.433 1.00 0.00 C ATOM 510 O ARG A 33 -13.899 0.446 -6.114 1.00 0.00 O ATOM 511 CB ARG A 33 -16.890 0.034 -6.937 1.00 0.00 C ATOM 512 CG ARG A 33 -16.227 0.288 -8.277 1.00 0.00 C ATOM 513 CD ARG A 33 -16.776 -0.641 -9.347 1.00 0.00 C ATOM 514 NE ARG A 33 -18.240 -0.641 -9.390 1.00 0.00 N ATOM 515 CZ ARG A 33 -18.957 -0.268 -10.451 1.00 0.00 C ATOM 516 NH1 ARG A 33 -18.351 0.179 -11.545 1.00 0.00 N ATOM 517 NH2 ARG A 33 -20.280 -0.338 -10.420 1.00 0.00 N ATOM 0 H ARG A 33 -15.201 2.519 -6.264 1.00 0.00 H new ATOM 0 HA ARG A 33 -16.899 0.657 -4.891 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -16.865 -1.036 -6.731 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -17.939 0.322 -7.005 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -16.387 1.324 -8.574 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -15.150 0.146 -8.186 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -16.387 -0.340 -10.320 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -16.421 -1.655 -9.161 1.00 0.00 H new ATOM 0 HE ARG A 33 -18.743 -0.945 -8.556 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -17.333 0.238 -11.576 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -18.903 0.463 -12.354 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -20.753 -0.678 -9.583 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -20.825 -0.052 -11.233 1.00 0.00 H new ATOM 531 N TRP A 34 -14.853 -0.624 -4.384 1.00 0.00 N ATOM 532 CA TRP A 34 -13.611 -1.229 -3.927 1.00 0.00 C ATOM 533 C TRP A 34 -13.375 -2.577 -4.595 1.00 0.00 C ATOM 534 O TRP A 34 -13.654 -3.626 -4.011 1.00 0.00 O ATOM 535 CB TRP A 34 -13.617 -1.414 -2.407 1.00 0.00 C ATOM 536 CG TRP A 34 -13.514 -0.134 -1.631 1.00 0.00 C ATOM 537 CD1 TRP A 34 -14.532 0.550 -1.029 1.00 0.00 C ATOM 538 CD2 TRP A 34 -12.320 0.611 -1.367 1.00 0.00 C ATOM 539 NE1 TRP A 34 -14.040 1.671 -0.402 1.00 0.00 N ATOM 540 CE2 TRP A 34 -12.685 1.732 -0.597 1.00 0.00 C ATOM 541 CE3 TRP A 34 -10.978 0.439 -1.706 1.00 0.00 C ATOM 542 CZ2 TRP A 34 -11.750 2.673 -0.164 1.00 0.00 C ATOM 543 CZ3 TRP A 34 -10.056 1.370 -1.278 1.00 0.00 C ATOM 544 CH2 TRP A 34 -10.444 2.475 -0.515 1.00 0.00 C ATOM 0 H TRP A 34 -15.672 -0.875 -3.830 1.00 0.00 H new ATOM 0 HA TRP A 34 -12.804 -0.551 -4.203 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -14.534 -1.928 -2.118 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -12.787 -2.063 -2.128 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -15.571 0.254 -1.043 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -14.594 2.347 0.123 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -10.666 -0.411 -2.295 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -12.047 3.527 0.427 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -9.015 1.243 -1.537 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -9.697 3.187 -0.196 1.00 0.00 H new ATOM 555 N VAL A 35 -12.876 -2.553 -5.819 1.00 0.00 N ATOM 556 CA VAL A 35 -12.537 -3.787 -6.519 1.00 0.00 C ATOM 557 C VAL A 35 -11.202 -4.322 -6.012 1.00 0.00 C ATOM 558 O VAL A 35 -10.381 -3.553 -5.506 1.00 0.00 O ATOM 559 CB VAL A 35 -12.479 -3.594 -8.049 1.00 0.00 C ATOM 560 CG1 VAL A 35 -13.827 -3.140 -8.581 1.00 0.00 C ATOM 561 CG2 VAL A 35 -11.394 -2.605 -8.441 1.00 0.00 C ATOM 0 H VAL A 35 -12.696 -1.700 -6.349 1.00 0.00 H new ATOM 0 HA VAL A 35 -13.328 -4.508 -6.311 1.00 0.00 H new ATOM 0 HB VAL A 35 -12.232 -4.557 -8.496 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -13.766 -3.009 -9.661 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -14.582 -3.891 -8.348 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -14.102 -2.193 -8.116 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -11.379 -2.492 -9.525 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -11.597 -1.639 -7.978 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -10.426 -2.974 -8.102 1.00 0.00 H new ATOM 571 N ALA A 36 -10.984 -5.628 -6.152 1.00 0.00 N ATOM 572 CA ALA A 36 -9.796 -6.283 -5.598 1.00 0.00 C ATOM 573 C ALA A 36 -8.509 -5.602 -6.061 1.00 0.00 C ATOM 574 O ALA A 36 -7.612 -5.341 -5.257 1.00 0.00 O ATOM 575 CB ALA A 36 -9.779 -7.757 -5.976 1.00 0.00 C ATOM 0 H ALA A 36 -11.616 -6.258 -6.646 1.00 0.00 H new ATOM 0 HA ALA A 36 -9.846 -6.194 -4.513 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -8.891 -8.230 -5.557 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -10.670 -8.244 -5.580 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -9.764 -7.854 -7.062 1.00 0.00 H new ATOM 581 N SER A 37 -8.438 -5.304 -7.350 1.00 0.00 N ATOM 582 CA SER A 37 -7.278 -4.645 -7.933 1.00 0.00 C ATOM 583 C SER A 37 -7.026 -3.290 -7.272 1.00 0.00 C ATOM 584 O SER A 37 -5.884 -2.926 -6.989 1.00 0.00 O ATOM 585 CB SER A 37 -7.492 -4.472 -9.441 1.00 0.00 C ATOM 586 OG SER A 37 -6.404 -3.799 -10.052 1.00 0.00 O ATOM 0 H SER A 37 -9.179 -5.511 -8.019 1.00 0.00 H new ATOM 0 HA SER A 37 -6.400 -5.267 -7.761 1.00 0.00 H new ATOM 0 HB2 SER A 37 -7.621 -5.450 -9.905 1.00 0.00 H new ATOM 0 HB3 SER A 37 -8.411 -3.912 -9.616 1.00 0.00 H new ATOM 0 HG SER A 37 -6.574 -3.708 -11.013 1.00 0.00 H new ATOM 592 N ARG A 38 -8.098 -2.565 -6.984 1.00 0.00 N ATOM 593 CA ARG A 38 -7.976 -1.221 -6.438 1.00 0.00 C ATOM 594 C ARG A 38 -7.581 -1.277 -4.969 1.00 0.00 C ATOM 595 O ARG A 38 -6.969 -0.347 -4.458 1.00 0.00 O ATOM 596 CB ARG A 38 -9.276 -0.439 -6.622 1.00 0.00 C ATOM 597 CG ARG A 38 -9.067 1.066 -6.665 1.00 0.00 C ATOM 598 CD ARG A 38 -10.336 1.794 -7.065 1.00 0.00 C ATOM 599 NE ARG A 38 -10.083 3.196 -7.395 1.00 0.00 N ATOM 600 CZ ARG A 38 -10.600 3.819 -8.456 1.00 0.00 C ATOM 601 NH1 ARG A 38 -11.383 3.165 -9.306 1.00 0.00 N ATOM 602 NH2 ARG A 38 -10.329 5.097 -8.671 1.00 0.00 N ATOM 0 H ARG A 38 -9.058 -2.883 -7.119 1.00 0.00 H new ATOM 0 HA ARG A 38 -7.190 -0.699 -6.985 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -9.758 -0.759 -7.546 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -9.957 -0.682 -5.807 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -8.739 1.417 -5.687 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -8.272 1.304 -7.372 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -10.785 1.295 -7.924 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -11.058 1.738 -6.250 1.00 0.00 H new ATOM 0 HE ARG A 38 -9.474 3.731 -6.776 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -11.593 2.179 -9.150 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -11.774 3.649 -10.114 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -9.725 5.606 -8.026 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -10.724 5.573 -9.482 1.00 0.00 H new ATOM 616 N LYS A 39 -7.922 -2.376 -4.298 1.00 0.00 N ATOM 617 CA LYS A 39 -7.501 -2.585 -2.913 1.00 0.00 C ATOM 618 C LYS A 39 -5.982 -2.716 -2.878 1.00 0.00 C ATOM 619 O LYS A 39 -5.292 -2.017 -2.124 1.00 0.00 O ATOM 620 CB LYS A 39 -8.138 -3.854 -2.317 1.00 0.00 C ATOM 621 CG LYS A 39 -9.622 -4.023 -2.622 1.00 0.00 C ATOM 622 CD LYS A 39 -10.465 -2.896 -2.048 1.00 0.00 C ATOM 623 CE LYS A 39 -10.751 -3.093 -0.567 1.00 0.00 C ATOM 624 NZ LYS A 39 -11.673 -4.232 -0.320 1.00 0.00 N ATOM 0 H LYS A 39 -8.485 -3.132 -4.688 1.00 0.00 H new ATOM 0 HA LYS A 39 -7.828 -1.733 -2.317 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -7.602 -4.725 -2.694 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -8.002 -3.839 -1.236 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -9.765 -4.066 -3.702 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -9.967 -4.974 -2.216 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -9.949 -1.947 -2.194 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -11.407 -2.834 -2.594 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -9.814 -3.265 -0.037 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -11.185 -2.181 -0.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -12.079 -4.149 0.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -12.438 -4.218 -1.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -11.148 -5.127 -0.397 1.00 0.00 H new ATOM 638 N ILE A 40 -5.476 -3.602 -3.735 1.00 0.00 N ATOM 639 CA ILE A 40 -4.044 -3.846 -3.860 1.00 0.00 C ATOM 640 C ILE A 40 -3.316 -2.575 -4.290 1.00 0.00 C ATOM 641 O ILE A 40 -2.200 -2.298 -3.839 1.00 0.00 O ATOM 642 CB ILE A 40 -3.765 -4.967 -4.890 1.00 0.00 C ATOM 643 CG1 ILE A 40 -4.516 -6.252 -4.510 1.00 0.00 C ATOM 644 CG2 ILE A 40 -2.270 -5.235 -5.006 1.00 0.00 C ATOM 645 CD1 ILE A 40 -4.201 -6.761 -3.116 1.00 0.00 C ATOM 0 H ILE A 40 -6.048 -4.169 -4.360 1.00 0.00 H new ATOM 0 HA ILE A 40 -3.675 -4.159 -2.883 1.00 0.00 H new ATOM 0 HB ILE A 40 -4.128 -4.632 -5.862 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -5.588 -6.070 -4.586 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -4.273 -7.030 -5.233 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -2.098 -6.026 -5.735 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -1.762 -4.327 -5.329 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -1.879 -5.544 -4.036 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -4.770 -7.670 -2.923 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -3.135 -6.977 -3.040 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -4.471 -6.002 -2.382 1.00 0.00 H new ATOM 657 N ALA A 41 -3.962 -1.805 -5.162 1.00 0.00 N ATOM 658 CA ALA A 41 -3.405 -0.547 -5.635 1.00 0.00 C ATOM 659 C ALA A 41 -3.178 0.428 -4.486 1.00 0.00 C ATOM 660 O ALA A 41 -2.187 1.158 -4.480 1.00 0.00 O ATOM 661 CB ALA A 41 -4.310 0.078 -6.685 1.00 0.00 C ATOM 0 H ALA A 41 -4.875 -2.034 -5.555 1.00 0.00 H new ATOM 0 HA ALA A 41 -2.438 -0.764 -6.088 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -3.876 1.018 -7.026 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -4.411 -0.603 -7.530 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -5.292 0.268 -6.252 1.00 0.00 H new ATOM 667 N VAL A 42 -4.087 0.434 -3.508 1.00 0.00 N ATOM 668 CA VAL A 42 -3.941 1.315 -2.356 1.00 0.00 C ATOM 669 C VAL A 42 -2.680 0.958 -1.588 1.00 0.00 C ATOM 670 O VAL A 42 -1.816 1.804 -1.380 1.00 0.00 O ATOM 671 CB VAL A 42 -5.149 1.258 -1.387 1.00 0.00 C ATOM 672 CG1 VAL A 42 -5.035 2.338 -0.324 1.00 0.00 C ATOM 673 CG2 VAL A 42 -6.460 1.409 -2.130 1.00 0.00 C ATOM 0 H VAL A 42 -4.920 -0.154 -3.493 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.884 2.330 -2.750 1.00 0.00 H new ATOM 0 HB VAL A 42 -5.136 0.280 -0.906 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -5.893 2.281 0.346 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -4.118 2.191 0.247 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -5.012 3.318 -0.802 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -7.287 1.365 -1.421 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -6.477 2.368 -2.647 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -6.561 0.603 -2.857 1.00 0.00 H new ATOM 683 N VAL A 43 -2.562 -0.312 -1.200 1.00 0.00 N ATOM 684 CA VAL A 43 -1.419 -0.763 -0.398 1.00 0.00 C ATOM 685 C VAL A 43 -0.093 -0.502 -1.109 1.00 0.00 C ATOM 686 O VAL A 43 0.811 0.103 -0.538 1.00 0.00 O ATOM 687 CB VAL A 43 -1.493 -2.263 -0.034 1.00 0.00 C ATOM 688 CG1 VAL A 43 -1.527 -2.444 1.473 1.00 0.00 C ATOM 689 CG2 VAL A 43 -2.697 -2.931 -0.672 1.00 0.00 C ATOM 0 H VAL A 43 -3.237 -1.043 -1.425 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.468 -0.180 0.522 1.00 0.00 H new ATOM 0 HB VAL A 43 -0.597 -2.743 -0.427 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -1.579 -3.506 1.711 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -0.624 -2.018 1.911 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -2.402 -1.938 1.881 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -2.718 -3.985 -0.395 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -3.609 -2.446 -0.324 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -2.630 -2.842 -1.756 1.00 0.00 H new ATOM 699 N ARG A 44 0.019 -0.952 -2.356 1.00 0.00 N ATOM 700 CA ARG A 44 1.251 -0.769 -3.121 1.00 0.00 C ATOM 701 C ARG A 44 1.543 0.712 -3.337 1.00 0.00 C ATOM 702 O ARG A 44 2.696 1.138 -3.277 1.00 0.00 O ATOM 703 CB ARG A 44 1.171 -1.493 -4.471 1.00 0.00 C ATOM 704 CG ARG A 44 1.252 -3.011 -4.356 1.00 0.00 C ATOM 705 CD ARG A 44 1.217 -3.684 -5.725 1.00 0.00 C ATOM 706 NE ARG A 44 1.415 -5.135 -5.627 1.00 0.00 N ATOM 707 CZ ARG A 44 1.237 -5.991 -6.639 1.00 0.00 C ATOM 708 NH1 ARG A 44 0.862 -5.559 -7.837 1.00 0.00 N ATOM 709 NH2 ARG A 44 1.440 -7.290 -6.451 1.00 0.00 N ATOM 0 H ARG A 44 -0.722 -1.443 -2.856 1.00 0.00 H new ATOM 0 HA ARG A 44 2.067 -1.203 -2.543 1.00 0.00 H new ATOM 0 HB2 ARG A 44 0.236 -1.224 -4.963 1.00 0.00 H new ATOM 0 HB3 ARG A 44 1.981 -1.142 -5.111 1.00 0.00 H new ATOM 0 HG2 ARG A 44 2.170 -3.288 -3.838 1.00 0.00 H new ATOM 0 HG3 ARG A 44 0.422 -3.375 -3.750 1.00 0.00 H new ATOM 0 HD2 ARG A 44 0.260 -3.480 -6.205 1.00 0.00 H new ATOM 0 HD3 ARG A 44 1.991 -3.254 -6.361 1.00 0.00 H new ATOM 0 HE ARG A 44 1.708 -5.516 -4.727 1.00 0.00 H new ATOM 0 HH11 ARG A 44 0.706 -4.563 -7.994 1.00 0.00 H new ATOM 0 HH12 ARG A 44 0.730 -6.223 -8.600 1.00 0.00 H new ATOM 0 HH21 ARG A 44 1.731 -7.633 -5.536 1.00 0.00 H new ATOM 0 HH22 ARG A 44 1.305 -7.944 -7.222 1.00 0.00 H new ATOM 723 N GLY A 45 0.495 1.492 -3.559 1.00 0.00 N ATOM 724 CA GLY A 45 0.656 2.908 -3.809 1.00 0.00 C ATOM 725 C GLY A 45 1.084 3.684 -2.574 1.00 0.00 C ATOM 726 O GLY A 45 1.961 4.540 -2.650 1.00 0.00 O ATOM 0 H GLY A 45 -0.471 1.165 -3.570 1.00 0.00 H new ATOM 0 HA2 GLY A 45 1.397 3.051 -4.596 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -0.285 3.315 -4.179 1.00 0.00 H new ATOM 730 N VAL A 46 0.473 3.390 -1.432 1.00 0.00 N ATOM 731 CA VAL A 46 0.789 4.121 -0.210 1.00 0.00 C ATOM 732 C VAL A 46 2.092 3.637 0.420 1.00 0.00 C ATOM 733 O VAL A 46 2.945 4.448 0.761 1.00 0.00 O ATOM 734 CB VAL A 46 -0.356 4.058 0.835 1.00 0.00 C ATOM 735 CG1 VAL A 46 -1.619 4.696 0.279 1.00 0.00 C ATOM 736 CG2 VAL A 46 -0.642 2.628 1.276 1.00 0.00 C ATOM 0 H VAL A 46 -0.234 2.662 -1.326 1.00 0.00 H new ATOM 0 HA VAL A 46 0.911 5.161 -0.511 1.00 0.00 H new ATOM 0 HB VAL A 46 -0.028 4.617 1.711 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -2.412 4.643 1.025 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -1.422 5.739 0.033 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -1.930 4.164 -0.620 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -1.450 2.628 2.008 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -0.935 2.032 0.411 1.00 0.00 H new ATOM 0 HG23 VAL A 46 0.254 2.200 1.725 1.00 0.00 H new ATOM 746 N ILE A 47 2.253 2.320 0.527 1.00 0.00 N ATOM 747 CA ILE A 47 3.395 1.726 1.216 1.00 0.00 C ATOM 748 C ILE A 47 4.677 1.876 0.407 1.00 0.00 C ATOM 749 O ILE A 47 5.677 2.398 0.897 1.00 0.00 O ATOM 750 CB ILE A 47 3.145 0.227 1.506 1.00 0.00 C ATOM 751 CG1 ILE A 47 2.025 0.057 2.536 1.00 0.00 C ATOM 752 CG2 ILE A 47 4.415 -0.465 1.981 1.00 0.00 C ATOM 753 CD1 ILE A 47 1.717 -1.389 2.859 1.00 0.00 C ATOM 0 H ILE A 47 1.600 1.639 0.141 1.00 0.00 H new ATOM 0 HA ILE A 47 3.513 2.261 2.158 1.00 0.00 H new ATOM 0 HB ILE A 47 2.836 -0.245 0.573 1.00 0.00 H new ATOM 0 HG12 ILE A 47 2.304 0.575 3.454 1.00 0.00 H new ATOM 0 HG13 ILE A 47 1.121 0.538 2.161 1.00 0.00 H new ATOM 0 HG21 ILE A 47 4.205 -1.517 2.176 1.00 0.00 H new ATOM 0 HG22 ILE A 47 5.183 -0.385 1.211 1.00 0.00 H new ATOM 0 HG23 ILE A 47 4.768 0.010 2.896 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.914 -1.434 3.595 1.00 0.00 H new ATOM 0 HD12 ILE A 47 1.407 -1.906 1.951 1.00 0.00 H new ATOM 0 HD13 ILE A 47 2.608 -1.869 3.264 1.00 0.00 H new ATOM 765 N TYR A 48 4.637 1.427 -0.836 1.00 0.00 N ATOM 766 CA TYR A 48 5.832 1.386 -1.663 1.00 0.00 C ATOM 767 C TYR A 48 6.025 2.713 -2.390 1.00 0.00 C ATOM 768 O TYR A 48 7.116 3.019 -2.871 1.00 0.00 O ATOM 769 CB TYR A 48 5.725 0.233 -2.669 1.00 0.00 C ATOM 770 CG TYR A 48 7.035 -0.134 -3.335 1.00 0.00 C ATOM 771 CD1 TYR A 48 7.891 -1.056 -2.751 1.00 0.00 C ATOM 772 CD2 TYR A 48 7.412 0.441 -4.542 1.00 0.00 C ATOM 773 CE1 TYR A 48 9.091 -1.392 -3.348 1.00 0.00 C ATOM 774 CE2 TYR A 48 8.609 0.110 -5.147 1.00 0.00 C ATOM 775 CZ TYR A 48 9.444 -0.806 -4.544 1.00 0.00 C ATOM 776 OH TYR A 48 10.640 -1.138 -5.142 1.00 0.00 O ATOM 0 H TYR A 48 3.792 1.086 -1.294 1.00 0.00 H new ATOM 0 HA TYR A 48 6.699 1.220 -1.024 1.00 0.00 H new ATOM 0 HB2 TYR A 48 5.332 -0.645 -2.157 1.00 0.00 H new ATOM 0 HB3 TYR A 48 5.002 0.503 -3.439 1.00 0.00 H new ATOM 0 HD1 TYR A 48 7.615 -1.519 -1.815 1.00 0.00 H new ATOM 0 HD2 TYR A 48 6.758 1.159 -5.015 1.00 0.00 H new ATOM 0 HE1 TYR A 48 9.748 -2.110 -2.880 1.00 0.00 H new ATOM 0 HE2 TYR A 48 8.888 0.566 -6.085 1.00 0.00 H new ATOM 0 HH TYR A 48 10.737 -0.638 -5.979 1.00 0.00 H new ATOM 786 N GLY A 49 4.961 3.499 -2.457 1.00 0.00 N ATOM 787 CA GLY A 49 4.999 4.721 -3.227 1.00 0.00 C ATOM 788 C GLY A 49 5.198 5.973 -2.393 1.00 0.00 C ATOM 789 O GLY A 49 6.137 6.735 -2.625 1.00 0.00 O ATOM 0 H GLY A 49 4.073 3.311 -1.992 1.00 0.00 H new ATOM 0 HA2 GLY A 49 5.805 4.652 -3.958 1.00 0.00 H new ATOM 0 HA3 GLY A 49 4.068 4.814 -3.787 1.00 0.00 H new ATOM 793 N LEU A 50 4.325 6.192 -1.421 1.00 0.00 N ATOM 794 CA LEU A 50 4.280 7.475 -0.738 1.00 0.00 C ATOM 795 C LEU A 50 4.918 7.433 0.647 1.00 0.00 C ATOM 796 O LEU A 50 5.997 7.988 0.856 1.00 0.00 O ATOM 797 CB LEU A 50 2.834 7.965 -0.622 1.00 0.00 C ATOM 798 CG LEU A 50 2.080 8.121 -1.946 1.00 0.00 C ATOM 799 CD1 LEU A 50 0.693 8.687 -1.703 1.00 0.00 C ATOM 800 CD2 LEU A 50 2.849 9.015 -2.907 1.00 0.00 C ATOM 0 H LEU A 50 3.646 5.506 -1.091 1.00 0.00 H new ATOM 0 HA LEU A 50 4.863 8.169 -1.343 1.00 0.00 H new ATOM 0 HB2 LEU A 50 2.283 7.268 0.010 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.835 8.927 -0.110 1.00 0.00 H new ATOM 0 HG LEU A 50 1.984 7.134 -2.398 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.171 8.791 -2.654 1.00 0.00 H new ATOM 0 HD12 LEU A 50 0.134 8.013 -1.054 1.00 0.00 H new ATOM 0 HD13 LEU A 50 0.777 9.664 -1.226 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.293 9.110 -3.840 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.980 10.001 -2.461 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.826 8.576 -3.110 1.00 0.00 H new ATOM 812 N ILE A 51 4.257 6.771 1.584 1.00 0.00 N ATOM 813 CA ILE A 51 4.613 6.902 2.994 1.00 0.00 C ATOM 814 C ILE A 51 4.481 5.589 3.762 1.00 0.00 C ATOM 815 O ILE A 51 4.238 4.533 3.185 1.00 0.00 O ATOM 816 CB ILE A 51 3.750 7.985 3.694 1.00 0.00 C ATOM 817 CG1 ILE A 51 2.308 8.007 3.152 1.00 0.00 C ATOM 818 CG2 ILE A 51 4.392 9.357 3.553 1.00 0.00 C ATOM 819 CD1 ILE A 51 1.506 6.758 3.444 1.00 0.00 C ATOM 0 H ILE A 51 3.476 6.141 1.399 1.00 0.00 H new ATOM 0 HA ILE A 51 5.661 7.200 3.008 1.00 0.00 H new ATOM 0 HB ILE A 51 3.700 7.727 4.752 1.00 0.00 H new ATOM 0 HG12 ILE A 51 1.787 8.865 3.577 1.00 0.00 H new ATOM 0 HG13 ILE A 51 2.342 8.157 2.073 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.771 10.102 4.051 1.00 0.00 H new ATOM 0 HG22 ILE A 51 5.381 9.345 4.011 1.00 0.00 H new ATOM 0 HG23 ILE A 51 4.484 9.609 2.496 1.00 0.00 H new ATOM 0 HD11 ILE A 51 0.505 6.862 3.026 1.00 0.00 H new ATOM 0 HD12 ILE A 51 1.999 5.896 2.995 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.436 6.615 4.522 1.00 0.00 H new ATOM 831 N THR A 52 4.636 5.682 5.073 1.00 0.00 N ATOM 832 CA THR A 52 4.509 4.539 5.955 1.00 0.00 C ATOM 833 C THR A 52 3.042 4.173 6.170 1.00 0.00 C ATOM 834 O THR A 52 2.154 5.013 6.002 1.00 0.00 O ATOM 835 CB THR A 52 5.181 4.844 7.304 1.00 0.00 C ATOM 836 OG1 THR A 52 5.185 6.264 7.519 1.00 0.00 O ATOM 837 CG2 THR A 52 6.608 4.319 7.336 1.00 0.00 C ATOM 0 H THR A 52 4.854 6.555 5.554 1.00 0.00 H new ATOM 0 HA THR A 52 5.005 3.688 5.489 1.00 0.00 H new ATOM 0 HB THR A 52 4.618 4.347 8.094 1.00 0.00 H new ATOM 0 HG1 THR A 52 5.611 6.463 8.379 1.00 0.00 H new ATOM 0 HG21 THR A 52 7.059 4.549 8.302 1.00 0.00 H new ATOM 0 HG22 THR A 52 6.602 3.239 7.186 1.00 0.00 H new ATOM 0 HG23 THR A 52 7.188 4.792 6.543 1.00 0.00 H new ATOM 845 N LEU A 53 2.798 2.924 6.556 1.00 0.00 N ATOM 846 CA LEU A 53 1.440 2.426 6.749 1.00 0.00 C ATOM 847 C LEU A 53 0.689 3.257 7.784 1.00 0.00 C ATOM 848 O LEU A 53 -0.523 3.385 7.706 1.00 0.00 O ATOM 849 CB LEU A 53 1.462 0.950 7.167 1.00 0.00 C ATOM 850 CG LEU A 53 0.108 0.349 7.561 1.00 0.00 C ATOM 851 CD1 LEU A 53 -0.893 0.478 6.422 1.00 0.00 C ATOM 852 CD2 LEU A 53 0.276 -1.107 7.966 1.00 0.00 C ATOM 0 H LEU A 53 3.527 2.235 6.742 1.00 0.00 H new ATOM 0 HA LEU A 53 0.915 2.514 5.798 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.873 0.365 6.344 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.146 0.840 8.009 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.280 0.904 8.415 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.846 0.045 6.725 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.034 1.531 6.179 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -0.517 -0.049 5.545 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.693 -1.522 8.243 1.00 0.00 H new ATOM 0 HD22 LEU A 53 0.687 -1.672 7.129 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.955 -1.172 8.816 1.00 0.00 H new ATOM 864 N ALA A 54 1.414 3.828 8.739 1.00 0.00 N ATOM 865 CA ALA A 54 0.796 4.657 9.769 1.00 0.00 C ATOM 866 C ALA A 54 0.008 5.811 9.154 1.00 0.00 C ATOM 867 O ALA A 54 -1.147 6.039 9.508 1.00 0.00 O ATOM 868 CB ALA A 54 1.846 5.193 10.732 1.00 0.00 C ATOM 0 H ALA A 54 2.426 3.733 8.822 1.00 0.00 H new ATOM 0 HA ALA A 54 0.100 4.028 10.324 1.00 0.00 H new ATOM 0 HB1 ALA A 54 1.363 5.808 11.491 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.358 4.359 11.212 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.569 5.796 10.183 1.00 0.00 H new ATOM 874 N GLU A 55 0.628 6.517 8.215 1.00 0.00 N ATOM 875 CA GLU A 55 -0.001 7.671 7.579 1.00 0.00 C ATOM 876 C GLU A 55 -1.202 7.241 6.736 1.00 0.00 C ATOM 877 O GLU A 55 -2.279 7.836 6.816 1.00 0.00 O ATOM 878 CB GLU A 55 1.024 8.407 6.715 1.00 0.00 C ATOM 879 CG GLU A 55 0.552 9.760 6.208 1.00 0.00 C ATOM 880 CD GLU A 55 0.232 10.726 7.330 1.00 0.00 C ATOM 881 OE1 GLU A 55 1.132 11.023 8.142 1.00 0.00 O ATOM 882 OE2 GLU A 55 -0.921 11.210 7.398 1.00 0.00 O ATOM 0 H GLU A 55 1.568 6.311 7.876 1.00 0.00 H new ATOM 0 HA GLU A 55 -0.361 8.345 8.356 1.00 0.00 H new ATOM 0 HB2 GLU A 55 1.937 8.546 7.293 1.00 0.00 H new ATOM 0 HB3 GLU A 55 1.280 7.780 5.861 1.00 0.00 H new ATOM 0 HG2 GLU A 55 1.322 10.193 5.570 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -0.334 9.622 5.589 1.00 0.00 H new ATOM 889 N ALA A 56 -1.012 6.197 5.937 1.00 0.00 N ATOM 890 CA ALA A 56 -2.093 5.625 5.131 1.00 0.00 C ATOM 891 C ALA A 56 -3.113 4.898 5.992 1.00 0.00 C ATOM 892 O ALA A 56 -4.158 4.515 5.501 1.00 0.00 O ATOM 893 CB ALA A 56 -1.523 4.680 4.090 1.00 0.00 C ATOM 0 H ALA A 56 -0.115 5.725 5.827 1.00 0.00 H new ATOM 0 HA ALA A 56 -2.605 6.448 4.633 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -2.335 4.260 3.496 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.841 5.226 3.438 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -0.983 3.874 4.587 1.00 0.00 H new ATOM 899 N LYS A 57 -2.811 4.704 7.263 1.00 0.00 N ATOM 900 CA LYS A 57 -3.770 4.116 8.182 1.00 0.00 C ATOM 901 C LYS A 57 -4.625 5.219 8.791 1.00 0.00 C ATOM 902 O LYS A 57 -5.838 5.080 8.925 1.00 0.00 O ATOM 903 CB LYS A 57 -3.059 3.318 9.278 1.00 0.00 C ATOM 904 CG LYS A 57 -3.992 2.445 10.101 1.00 0.00 C ATOM 905 CD LYS A 57 -3.237 1.644 11.152 1.00 0.00 C ATOM 906 CE LYS A 57 -2.236 0.690 10.520 1.00 0.00 C ATOM 907 NZ LYS A 57 -1.589 -0.183 11.534 1.00 0.00 N ATOM 0 H LYS A 57 -1.912 4.944 7.682 1.00 0.00 H new ATOM 0 HA LYS A 57 -4.410 3.425 7.633 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -2.296 2.688 8.820 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -2.543 4.011 9.943 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -4.739 3.071 10.589 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -4.529 1.764 9.441 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -2.716 2.326 11.824 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -3.946 1.079 11.758 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -2.742 0.072 9.778 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -1.473 1.262 9.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -0.702 -0.565 11.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -1.383 0.372 12.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -2.228 -0.967 11.775 1.00 0.00 H new ATOM 921 N GLN A 58 -3.982 6.332 9.126 1.00 0.00 N ATOM 922 CA GLN A 58 -4.692 7.498 9.635 1.00 0.00 C ATOM 923 C GLN A 58 -5.572 8.098 8.544 1.00 0.00 C ATOM 924 O GLN A 58 -6.593 8.726 8.823 1.00 0.00 O ATOM 925 CB GLN A 58 -3.700 8.553 10.137 1.00 0.00 C ATOM 926 CG GLN A 58 -2.755 8.050 11.216 1.00 0.00 C ATOM 927 CD GLN A 58 -3.460 7.681 12.505 1.00 0.00 C ATOM 928 OE1 GLN A 58 -4.480 8.269 12.866 1.00 0.00 O ATOM 929 NE2 GLN A 58 -2.920 6.694 13.201 1.00 0.00 N ATOM 0 H GLN A 58 -2.971 6.451 9.054 1.00 0.00 H new ATOM 0 HA GLN A 58 -5.321 7.180 10.467 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -3.112 8.914 9.293 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -4.258 9.405 10.525 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -2.218 7.179 10.841 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -2.010 8.818 11.424 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -2.074 6.235 12.863 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -3.350 6.392 14.075 1.00 0.00 H new ATOM 938 N THR A 59 -5.166 7.898 7.299 1.00 0.00 N ATOM 939 CA THR A 59 -5.898 8.435 6.162 1.00 0.00 C ATOM 940 C THR A 59 -6.775 7.372 5.498 1.00 0.00 C ATOM 941 O THR A 59 -7.998 7.504 5.455 1.00 0.00 O ATOM 942 CB THR A 59 -4.930 9.018 5.114 1.00 0.00 C ATOM 943 OG1 THR A 59 -4.002 9.907 5.752 1.00 0.00 O ATOM 944 CG2 THR A 59 -5.688 9.772 4.030 1.00 0.00 C ATOM 0 H THR A 59 -4.332 7.367 7.050 1.00 0.00 H new ATOM 0 HA THR A 59 -6.542 9.226 6.546 1.00 0.00 H new ATOM 0 HB THR A 59 -4.392 8.191 4.651 1.00 0.00 H new ATOM 0 HG1 THR A 59 -3.302 9.385 6.197 1.00 0.00 H new ATOM 0 HG21 THR A 59 -4.981 10.173 3.304 1.00 0.00 H new ATOM 0 HG22 THR A 59 -6.377 9.093 3.529 1.00 0.00 H new ATOM 0 HG23 THR A 59 -6.249 10.591 4.481 1.00 0.00 H new ATOM 952 N TYR A 60 -6.148 6.320 4.976 1.00 0.00 N ATOM 953 CA TYR A 60 -6.871 5.311 4.209 1.00 0.00 C ATOM 954 C TYR A 60 -7.047 4.019 5.001 1.00 0.00 C ATOM 955 O TYR A 60 -7.388 2.988 4.429 1.00 0.00 O ATOM 956 CB TYR A 60 -6.143 4.982 2.904 1.00 0.00 C ATOM 957 CG TYR A 60 -5.677 6.191 2.122 1.00 0.00 C ATOM 958 CD1 TYR A 60 -6.565 6.928 1.354 1.00 0.00 C ATOM 959 CD2 TYR A 60 -4.345 6.586 2.145 1.00 0.00 C ATOM 960 CE1 TYR A 60 -6.144 8.025 0.628 1.00 0.00 C ATOM 961 CE2 TYR A 60 -3.914 7.683 1.424 1.00 0.00 C ATOM 962 CZ TYR A 60 -4.818 8.399 0.666 1.00 0.00 C ATOM 963 OH TYR A 60 -4.395 9.491 -0.054 1.00 0.00 O ATOM 0 H TYR A 60 -5.147 6.145 5.070 1.00 0.00 H new ATOM 0 HA TYR A 60 -7.851 5.735 3.989 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -5.279 4.358 3.132 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -6.806 4.390 2.273 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -7.605 6.639 1.323 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -3.635 6.026 2.736 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -6.850 8.587 0.034 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -2.876 7.978 1.453 1.00 0.00 H new ATOM 0 HH TYR A 60 -3.433 9.620 0.082 1.00 0.00 H new ATOM 973 N GLY A 61 -6.827 4.086 6.307 1.00 0.00 N ATOM 974 CA GLY A 61 -6.693 2.885 7.115 1.00 0.00 C ATOM 975 C GLY A 61 -7.928 2.015 7.172 1.00 0.00 C ATOM 976 O GLY A 61 -7.815 0.826 7.460 1.00 0.00 O ATOM 0 H GLY A 61 -6.738 4.959 6.828 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -5.866 2.292 6.724 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -6.424 3.176 8.130 1.00 0.00 H new ATOM 980 N LEU A 62 -9.098 2.597 6.894 1.00 0.00 N ATOM 981 CA LEU A 62 -10.377 1.884 6.996 1.00 0.00 C ATOM 982 C LEU A 62 -10.518 1.299 8.400 1.00 0.00 C ATOM 983 O LEU A 62 -10.902 1.991 9.341 1.00 0.00 O ATOM 984 CB LEU A 62 -10.477 0.758 5.948 1.00 0.00 C ATOM 985 CG LEU A 62 -9.657 0.970 4.673 1.00 0.00 C ATOM 986 CD1 LEU A 62 -8.704 -0.192 4.464 1.00 0.00 C ATOM 987 CD2 LEU A 62 -10.556 1.137 3.463 1.00 0.00 C ATOM 0 H LEU A 62 -9.187 3.568 6.594 1.00 0.00 H new ATOM 0 HA LEU A 62 -11.183 2.592 6.804 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -10.160 -0.176 6.412 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -11.524 0.636 5.670 1.00 0.00 H new ATOM 0 HG LEU A 62 -9.079 1.887 4.791 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -8.126 -0.030 3.554 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -8.027 -0.265 5.315 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -9.273 -1.117 4.372 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -9.944 1.286 2.573 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -11.167 0.243 3.338 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -11.203 2.002 3.607 1.00 0.00 H new ATOM 999 N SER A 63 -10.175 0.028 8.528 1.00 0.00 N ATOM 1000 CA SER A 63 -9.982 -0.601 9.818 1.00 0.00 C ATOM 1001 C SER A 63 -8.637 -1.310 9.795 1.00 0.00 C ATOM 1002 O SER A 63 -8.266 -1.868 8.763 1.00 0.00 O ATOM 1003 CB SER A 63 -11.110 -1.587 10.120 1.00 0.00 C ATOM 1004 OG SER A 63 -12.365 -0.928 10.136 1.00 0.00 O ATOM 0 H SER A 63 -10.023 -0.596 7.736 1.00 0.00 H new ATOM 0 HA SER A 63 -9.997 0.152 10.606 1.00 0.00 H new ATOM 0 HB2 SER A 63 -11.119 -2.377 9.369 1.00 0.00 H new ATOM 0 HB3 SER A 63 -10.933 -2.065 11.084 1.00 0.00 H new ATOM 0 HG SER A 63 -13.073 -1.577 10.329 1.00 0.00 H new ATOM 1010 N ASP A 64 -7.909 -1.272 10.907 1.00 0.00 N ATOM 1011 CA ASP A 64 -6.564 -1.851 10.967 1.00 0.00 C ATOM 1012 C ASP A 64 -6.556 -3.268 10.413 1.00 0.00 C ATOM 1013 O ASP A 64 -5.748 -3.594 9.544 1.00 0.00 O ATOM 1014 CB ASP A 64 -6.036 -1.853 12.405 1.00 0.00 C ATOM 1015 CG ASP A 64 -4.613 -2.377 12.499 1.00 0.00 C ATOM 1016 OD1 ASP A 64 -3.670 -1.578 12.336 1.00 0.00 O ATOM 1017 OD2 ASP A 64 -4.427 -3.591 12.727 1.00 0.00 O ATOM 0 H ASP A 64 -8.224 -0.848 11.779 1.00 0.00 H new ATOM 0 HA ASP A 64 -5.910 -1.232 10.353 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -6.074 -0.840 12.805 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -6.688 -2.466 13.028 1.00 0.00 H new ATOM 1022 N GLU A 65 -7.488 -4.085 10.891 1.00 0.00 N ATOM 1023 CA GLU A 65 -7.597 -5.475 10.459 1.00 0.00 C ATOM 1024 C GLU A 65 -7.810 -5.564 8.951 1.00 0.00 C ATOM 1025 O GLU A 65 -7.247 -6.427 8.285 1.00 0.00 O ATOM 1026 CB GLU A 65 -8.763 -6.152 11.179 1.00 0.00 C ATOM 1027 CG GLU A 65 -8.724 -7.670 11.145 1.00 0.00 C ATOM 1028 CD GLU A 65 -7.563 -8.232 11.941 1.00 0.00 C ATOM 1029 OE1 GLU A 65 -7.299 -7.728 13.056 1.00 0.00 O ATOM 1030 OE2 GLU A 65 -6.918 -9.186 11.469 1.00 0.00 O ATOM 0 H GLU A 65 -8.184 -3.807 11.583 1.00 0.00 H new ATOM 0 HA GLU A 65 -6.665 -5.983 10.708 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -8.772 -5.824 12.218 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -9.697 -5.814 10.730 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -9.659 -8.065 11.542 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -8.650 -8.007 10.111 1.00 0.00 H new ATOM 1037 N GLU A 66 -8.616 -4.656 8.418 1.00 0.00 N ATOM 1038 CA GLU A 66 -8.958 -4.679 7.004 1.00 0.00 C ATOM 1039 C GLU A 66 -7.749 -4.316 6.151 1.00 0.00 C ATOM 1040 O GLU A 66 -7.407 -5.033 5.209 1.00 0.00 O ATOM 1041 CB GLU A 66 -10.116 -3.720 6.720 1.00 0.00 C ATOM 1042 CG GLU A 66 -10.663 -3.835 5.308 1.00 0.00 C ATOM 1043 CD GLU A 66 -11.969 -3.090 5.111 1.00 0.00 C ATOM 1044 OE1 GLU A 66 -12.735 -2.949 6.089 1.00 0.00 O ATOM 1045 OE2 GLU A 66 -12.240 -2.665 3.972 1.00 0.00 O ATOM 0 H GLU A 66 -9.045 -3.895 8.944 1.00 0.00 H new ATOM 0 HA GLU A 66 -9.270 -5.690 6.744 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.920 -3.913 7.430 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -9.780 -2.697 6.889 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -9.923 -3.450 4.606 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -10.813 -4.888 5.068 1.00 0.00 H new ATOM 1052 N PHE A 67 -7.088 -3.220 6.503 1.00 0.00 N ATOM 1053 CA PHE A 67 -5.951 -2.738 5.734 1.00 0.00 C ATOM 1054 C PHE A 67 -4.797 -3.732 5.821 1.00 0.00 C ATOM 1055 O PHE A 67 -4.138 -4.028 4.821 1.00 0.00 O ATOM 1056 CB PHE A 67 -5.495 -1.364 6.240 1.00 0.00 C ATOM 1057 CG PHE A 67 -4.750 -0.558 5.206 1.00 0.00 C ATOM 1058 CD1 PHE A 67 -3.534 -0.992 4.704 1.00 0.00 C ATOM 1059 CD2 PHE A 67 -5.275 0.632 4.730 1.00 0.00 C ATOM 1060 CE1 PHE A 67 -2.857 -0.257 3.750 1.00 0.00 C ATOM 1061 CE2 PHE A 67 -4.604 1.371 3.774 1.00 0.00 C ATOM 1062 CZ PHE A 67 -3.395 0.927 3.284 1.00 0.00 C ATOM 0 H PHE A 67 -7.321 -2.650 7.316 1.00 0.00 H new ATOM 0 HA PHE A 67 -6.260 -2.639 4.694 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -6.367 -0.799 6.570 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -4.856 -1.501 7.112 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -3.109 -1.918 5.063 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -6.221 0.987 5.111 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -1.909 -0.607 3.369 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -5.027 2.296 3.411 1.00 0.00 H new ATOM 0 HZ PHE A 67 -2.869 1.503 2.537 1.00 0.00 H new ATOM 1072 N ASN A 68 -4.563 -4.275 7.014 1.00 0.00 N ATOM 1073 CA ASN A 68 -3.461 -5.211 7.207 1.00 0.00 C ATOM 1074 C ASN A 68 -3.765 -6.547 6.531 1.00 0.00 C ATOM 1075 O ASN A 68 -2.861 -7.338 6.267 1.00 0.00 O ATOM 1076 CB ASN A 68 -3.111 -5.390 8.705 1.00 0.00 C ATOM 1077 CG ASN A 68 -4.101 -6.223 9.516 1.00 0.00 C ATOM 1078 OD1 ASN A 68 -4.675 -7.196 9.035 1.00 0.00 O ATOM 1079 ND2 ASN A 68 -4.304 -5.843 10.770 1.00 0.00 N ATOM 0 H ASN A 68 -5.115 -4.085 7.851 1.00 0.00 H new ATOM 0 HA ASN A 68 -2.577 -4.788 6.730 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -2.127 -5.854 8.777 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -3.033 -4.404 9.162 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -4.951 -6.363 11.362 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -3.813 -5.030 11.143 1.00 0.00 H new ATOM 1086 N SER A 69 -5.044 -6.788 6.240 1.00 0.00 N ATOM 1087 CA SER A 69 -5.445 -7.978 5.498 1.00 0.00 C ATOM 1088 C SER A 69 -4.994 -7.887 4.045 1.00 0.00 C ATOM 1089 O SER A 69 -4.727 -8.908 3.406 1.00 0.00 O ATOM 1090 CB SER A 69 -6.956 -8.188 5.568 1.00 0.00 C ATOM 1091 OG SER A 69 -7.356 -8.584 6.869 1.00 0.00 O ATOM 0 H SER A 69 -5.815 -6.176 6.507 1.00 0.00 H new ATOM 0 HA SER A 69 -4.958 -8.836 5.962 1.00 0.00 H new ATOM 0 HB2 SER A 69 -7.468 -7.266 5.292 1.00 0.00 H new ATOM 0 HB3 SER A 69 -7.255 -8.947 4.845 1.00 0.00 H new ATOM 0 HG SER A 69 -7.127 -7.879 7.510 1.00 0.00 H new ATOM 1097 N TRP A 70 -4.904 -6.666 3.525 1.00 0.00 N ATOM 1098 CA TRP A 70 -4.372 -6.461 2.185 1.00 0.00 C ATOM 1099 C TRP A 70 -2.899 -6.835 2.171 1.00 0.00 C ATOM 1100 O TRP A 70 -2.431 -7.548 1.286 1.00 0.00 O ATOM 1101 CB TRP A 70 -4.525 -5.004 1.738 1.00 0.00 C ATOM 1102 CG TRP A 70 -5.934 -4.493 1.713 1.00 0.00 C ATOM 1103 CD1 TRP A 70 -7.090 -5.213 1.833 1.00 0.00 C ATOM 1104 CD2 TRP A 70 -6.329 -3.131 1.540 1.00 0.00 C ATOM 1105 NE1 TRP A 70 -8.176 -4.374 1.761 1.00 0.00 N ATOM 1106 CE2 TRP A 70 -7.733 -3.091 1.579 1.00 0.00 C ATOM 1107 CE3 TRP A 70 -5.625 -1.937 1.363 1.00 0.00 C ATOM 1108 CZ2 TRP A 70 -8.446 -1.903 1.445 1.00 0.00 C ATOM 1109 CZ3 TRP A 70 -6.334 -0.761 1.230 1.00 0.00 C ATOM 1110 CH2 TRP A 70 -7.732 -0.750 1.271 1.00 0.00 C ATOM 0 H TRP A 70 -5.190 -5.813 4.006 1.00 0.00 H new ATOM 0 HA TRP A 70 -4.934 -7.090 1.495 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -3.937 -4.372 2.404 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -4.099 -4.899 0.740 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -7.142 -6.284 1.965 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -9.153 -4.660 1.832 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -4.545 -1.935 1.331 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -9.525 -1.892 1.477 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -5.800 0.168 1.092 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -8.258 0.187 1.163 1.00 0.00 H new ATOM 1121 N VAL A 71 -2.184 -6.360 3.184 1.00 0.00 N ATOM 1122 CA VAL A 71 -0.766 -6.657 3.337 1.00 0.00 C ATOM 1123 C VAL A 71 -0.567 -8.143 3.613 1.00 0.00 C ATOM 1124 O VAL A 71 0.442 -8.722 3.234 1.00 0.00 O ATOM 1125 CB VAL A 71 -0.144 -5.835 4.489 1.00 0.00 C ATOM 1126 CG1 VAL A 71 1.371 -5.980 4.506 1.00 0.00 C ATOM 1127 CG2 VAL A 71 -0.548 -4.372 4.390 1.00 0.00 C ATOM 0 H VAL A 71 -2.567 -5.763 3.917 1.00 0.00 H new ATOM 0 HA VAL A 71 -0.267 -6.386 2.407 1.00 0.00 H new ATOM 0 HB VAL A 71 -0.529 -6.229 5.429 1.00 0.00 H new ATOM 0 HG11 VAL A 71 1.784 -5.392 5.326 1.00 0.00 H new ATOM 0 HG12 VAL A 71 1.635 -7.029 4.643 1.00 0.00 H new ATOM 0 HG13 VAL A 71 1.781 -5.623 3.561 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -0.098 -3.814 5.211 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -0.202 -3.963 3.441 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -1.633 -4.290 4.447 1.00 0.00 H new ATOM 1137 N SER A 72 -1.543 -8.753 4.271 1.00 0.00 N ATOM 1138 CA SER A 72 -1.503 -10.181 4.559 1.00 0.00 C ATOM 1139 C SER A 72 -1.615 -10.993 3.267 1.00 0.00 C ATOM 1140 O SER A 72 -1.013 -12.059 3.134 1.00 0.00 O ATOM 1141 CB SER A 72 -2.631 -10.554 5.526 1.00 0.00 C ATOM 1142 OG SER A 72 -2.537 -11.905 5.941 1.00 0.00 O ATOM 0 H SER A 72 -2.377 -8.279 4.617 1.00 0.00 H new ATOM 0 HA SER A 72 -0.547 -10.416 5.028 1.00 0.00 H new ATOM 0 HB2 SER A 72 -2.594 -9.901 6.398 1.00 0.00 H new ATOM 0 HB3 SER A 72 -3.594 -10.387 5.044 1.00 0.00 H new ATOM 0 HG SER A 72 -3.270 -12.109 6.558 1.00 0.00 H new ATOM 1148 N ALA A 73 -2.374 -10.477 2.306 1.00 0.00 N ATOM 1149 CA ALA A 73 -2.531 -11.142 1.018 1.00 0.00 C ATOM 1150 C ALA A 73 -1.327 -10.857 0.126 1.00 0.00 C ATOM 1151 O ALA A 73 -0.956 -11.666 -0.726 1.00 0.00 O ATOM 1152 CB ALA A 73 -3.820 -10.691 0.347 1.00 0.00 C ATOM 0 H ALA A 73 -2.889 -9.601 2.395 1.00 0.00 H new ATOM 0 HA ALA A 73 -2.588 -12.218 1.181 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -3.926 -11.195 -0.614 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -4.669 -10.942 0.983 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -3.791 -9.613 0.190 1.00 0.00 H new ATOM 1158 N LEU A 74 -0.716 -9.703 0.343 1.00 0.00 N ATOM 1159 CA LEU A 74 0.456 -9.289 -0.418 1.00 0.00 C ATOM 1160 C LEU A 74 1.735 -9.749 0.265 1.00 0.00 C ATOM 1161 O LEU A 74 2.835 -9.522 -0.234 1.00 0.00 O ATOM 1162 CB LEU A 74 0.469 -7.774 -0.570 1.00 0.00 C ATOM 1163 CG LEU A 74 -0.686 -7.199 -1.380 1.00 0.00 C ATOM 1164 CD1 LEU A 74 -0.645 -5.688 -1.344 1.00 0.00 C ATOM 1165 CD2 LEU A 74 -0.633 -7.701 -2.814 1.00 0.00 C ATOM 0 H LEU A 74 -1.015 -9.029 1.048 1.00 0.00 H new ATOM 0 HA LEU A 74 0.405 -9.751 -1.404 1.00 0.00 H new ATOM 0 HB2 LEU A 74 0.456 -7.324 0.423 1.00 0.00 H new ATOM 0 HB3 LEU A 74 1.406 -7.479 -1.042 1.00 0.00 H new ATOM 0 HG LEU A 74 -1.624 -7.533 -0.936 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -1.475 -5.288 -1.926 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.727 -5.346 -0.312 1.00 0.00 H new ATOM 0 HD13 LEU A 74 0.297 -5.339 -1.768 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -1.465 -7.280 -3.378 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.307 -7.395 -3.272 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -0.703 -8.789 -2.822 1.00 0.00 H new ATOM 1177 N ALA A 75 1.571 -10.377 1.422 1.00 0.00 N ATOM 1178 CA ALA A 75 2.689 -10.924 2.175 1.00 0.00 C ATOM 1179 C ALA A 75 3.432 -11.938 1.339 1.00 0.00 C ATOM 1180 O ALA A 75 4.661 -11.922 1.264 1.00 0.00 O ATOM 1181 CB ALA A 75 2.201 -11.585 3.457 1.00 0.00 C ATOM 0 H ALA A 75 0.662 -10.521 1.863 1.00 0.00 H new ATOM 0 HA ALA A 75 3.360 -10.104 2.433 1.00 0.00 H new ATOM 0 HB1 ALA A 75 3.052 -11.988 4.006 1.00 0.00 H new ATOM 0 HB2 ALA A 75 1.688 -10.847 4.074 1.00 0.00 H new ATOM 0 HB3 ALA A 75 1.513 -12.394 3.210 1.00 0.00 H new ATOM 1187 N GLU A 76 2.658 -12.834 0.733 1.00 0.00 N ATOM 1188 CA GLU A 76 3.186 -13.888 -0.120 1.00 0.00 C ATOM 1189 C GLU A 76 4.230 -14.727 0.621 1.00 0.00 C ATOM 1190 O GLU A 76 5.069 -15.393 0.014 1.00 0.00 O ATOM 1191 CB GLU A 76 3.745 -13.285 -1.414 1.00 0.00 C ATOM 1192 CG GLU A 76 2.684 -12.534 -2.213 1.00 0.00 C ATOM 1193 CD GLU A 76 3.126 -12.168 -3.615 1.00 0.00 C ATOM 1194 OE1 GLU A 76 3.837 -11.156 -3.780 1.00 0.00 O ATOM 1195 OE2 GLU A 76 2.735 -12.884 -4.566 1.00 0.00 O ATOM 0 H GLU A 76 1.642 -12.847 0.822 1.00 0.00 H new ATOM 0 HA GLU A 76 2.374 -14.564 -0.389 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.562 -12.605 -1.171 1.00 0.00 H new ATOM 0 HB3 GLU A 76 4.165 -14.080 -2.030 1.00 0.00 H new ATOM 0 HG2 GLU A 76 1.785 -13.147 -2.273 1.00 0.00 H new ATOM 0 HG3 GLU A 76 2.414 -11.624 -1.677 1.00 0.00 H new ATOM 1202 N HIS A 77 4.128 -14.728 1.955 1.00 0.00 N ATOM 1203 CA HIS A 77 4.967 -15.578 2.793 1.00 0.00 C ATOM 1204 C HIS A 77 4.554 -17.021 2.589 1.00 0.00 C ATOM 1205 O HIS A 77 5.330 -17.950 2.807 1.00 0.00 O ATOM 1206 CB HIS A 77 4.835 -15.207 4.278 1.00 0.00 C ATOM 1207 CG HIS A 77 5.529 -13.939 4.679 1.00 0.00 C ATOM 1208 ND1 HIS A 77 6.217 -13.813 5.862 1.00 0.00 N ATOM 1209 CD2 HIS A 77 5.616 -12.733 4.072 1.00 0.00 C ATOM 1210 CE1 HIS A 77 6.695 -12.592 5.965 1.00 0.00 C ATOM 1211 NE2 HIS A 77 6.345 -11.908 4.893 1.00 0.00 N ATOM 0 H HIS A 77 3.470 -14.147 2.474 1.00 0.00 H new ATOM 0 HA HIS A 77 6.009 -15.435 2.506 1.00 0.00 H new ATOM 0 HB2 HIS A 77 3.776 -15.117 4.522 1.00 0.00 H new ATOM 0 HB3 HIS A 77 5.232 -16.026 4.878 1.00 0.00 H new ATOM 0 HD1 HIS A 77 6.338 -14.553 6.554 1.00 0.00 H new ATOM 0 HD2 HIS A 77 5.190 -12.467 3.116 1.00 0.00 H new ATOM 0 HE1 HIS A 77 7.278 -12.212 6.791 1.00 0.00 H new ATOM 1220 N GLY A 78 3.313 -17.186 2.153 1.00 0.00 N ATOM 1221 CA GLY A 78 2.787 -18.496 1.852 1.00 0.00 C ATOM 1222 C GLY A 78 3.416 -19.097 0.605 1.00 0.00 C ATOM 1223 O GLY A 78 3.262 -20.288 0.331 1.00 0.00 O ATOM 0 H GLY A 78 2.655 -16.421 2.002 1.00 0.00 H new ATOM 0 HA2 GLY A 78 2.961 -19.159 2.700 1.00 0.00 H new ATOM 0 HA3 GLY A 78 1.708 -18.429 1.716 1.00 0.00 H new ATOM 1227 N LYS A 79 4.119 -18.267 -0.159 1.00 0.00 N ATOM 1228 CA LYS A 79 4.800 -18.719 -1.364 1.00 0.00 C ATOM 1229 C LYS A 79 6.266 -19.000 -1.070 1.00 0.00 C ATOM 1230 O LYS A 79 6.693 -20.153 -0.997 1.00 0.00 O ATOM 1231 CB LYS A 79 4.705 -17.658 -2.462 1.00 0.00 C ATOM 1232 CG LYS A 79 3.290 -17.345 -2.911 1.00 0.00 C ATOM 1233 CD LYS A 79 3.250 -16.042 -3.690 1.00 0.00 C ATOM 1234 CE LYS A 79 4.075 -16.109 -4.967 1.00 0.00 C ATOM 1235 NZ LYS A 79 4.444 -14.752 -5.459 1.00 0.00 N ATOM 0 H LYS A 79 4.231 -17.273 0.038 1.00 0.00 H new ATOM 0 HA LYS A 79 4.315 -19.635 -1.703 1.00 0.00 H new ATOM 0 HB2 LYS A 79 5.171 -16.740 -2.104 1.00 0.00 H new ATOM 0 HB3 LYS A 79 5.281 -17.993 -3.325 1.00 0.00 H new ATOM 0 HG2 LYS A 79 2.912 -18.157 -3.532 1.00 0.00 H new ATOM 0 HG3 LYS A 79 2.635 -17.276 -2.043 1.00 0.00 H new ATOM 0 HD2 LYS A 79 2.217 -15.802 -3.940 1.00 0.00 H new ATOM 0 HD3 LYS A 79 3.622 -15.233 -3.061 1.00 0.00 H new ATOM 0 HE2 LYS A 79 4.980 -16.688 -4.785 1.00 0.00 H new ATOM 0 HE3 LYS A 79 3.510 -16.634 -5.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 4.547 -14.774 -6.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 3.699 -14.074 -5.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 5.344 -14.459 -5.028 1.00 0.00 H new ATOM 1249 N ASP A 80 7.023 -17.927 -0.898 1.00 0.00 N ATOM 1250 CA ASP A 80 8.460 -18.014 -0.669 1.00 0.00 C ATOM 1251 C ASP A 80 8.884 -17.134 0.506 1.00 0.00 C ATOM 1252 O ASP A 80 9.860 -17.440 1.195 1.00 0.00 O ATOM 1253 CB ASP A 80 9.223 -17.614 -1.940 1.00 0.00 C ATOM 1254 CG ASP A 80 8.923 -16.200 -2.419 1.00 0.00 C ATOM 1255 OD1 ASP A 80 7.856 -15.650 -2.064 1.00 0.00 O ATOM 1256 OD2 ASP A 80 9.752 -15.636 -3.164 1.00 0.00 O ATOM 0 H ASP A 80 6.661 -16.973 -0.913 1.00 0.00 H new ATOM 0 HA ASP A 80 8.704 -19.047 -0.420 1.00 0.00 H new ATOM 0 HB2 ASP A 80 10.293 -17.705 -1.754 1.00 0.00 H new ATOM 0 HB3 ASP A 80 8.977 -18.317 -2.736 1.00 0.00 H new ATOM 1261 N ALA A 81 8.153 -16.033 0.706 1.00 0.00 N ATOM 1262 CA ALA A 81 8.336 -15.136 1.856 1.00 0.00 C ATOM 1263 C ALA A 81 9.584 -14.267 1.719 1.00 0.00 C ATOM 1264 O ALA A 81 9.871 -13.445 2.588 1.00 0.00 O ATOM 1265 CB ALA A 81 8.374 -15.917 3.169 1.00 0.00 C ATOM 0 H ALA A 81 7.412 -15.735 0.071 1.00 0.00 H new ATOM 0 HA ALA A 81 7.472 -14.471 1.872 1.00 0.00 H new ATOM 0 HB1 ALA A 81 8.510 -15.225 4.000 1.00 0.00 H new ATOM 0 HB2 ALA A 81 7.437 -16.458 3.298 1.00 0.00 H new ATOM 0 HB3 ALA A 81 9.202 -16.625 3.147 1.00 0.00 H new ATOM 1271 N LEU A 82 10.307 -14.429 0.624 1.00 0.00 N ATOM 1272 CA LEU A 82 11.526 -13.667 0.393 1.00 0.00 C ATOM 1273 C LEU A 82 11.372 -12.810 -0.850 1.00 0.00 C ATOM 1274 O LEU A 82 10.534 -13.103 -1.698 1.00 0.00 O ATOM 1275 CB LEU A 82 12.726 -14.608 0.233 1.00 0.00 C ATOM 1276 CG LEU A 82 13.025 -15.498 1.444 1.00 0.00 C ATOM 1277 CD1 LEU A 82 14.175 -16.446 1.138 1.00 0.00 C ATOM 1278 CD2 LEU A 82 13.346 -14.650 2.667 1.00 0.00 C ATOM 0 H LEU A 82 10.071 -15.083 -0.122 1.00 0.00 H new ATOM 0 HA LEU A 82 11.702 -13.022 1.254 1.00 0.00 H new ATOM 0 HB2 LEU A 82 12.553 -15.247 -0.633 1.00 0.00 H new ATOM 0 HB3 LEU A 82 13.610 -14.009 0.016 1.00 0.00 H new ATOM 0 HG LEU A 82 12.136 -16.091 1.661 1.00 0.00 H new ATOM 0 HD11 LEU A 82 14.374 -17.070 2.009 1.00 0.00 H new ATOM 0 HD12 LEU A 82 13.909 -17.079 0.291 1.00 0.00 H new ATOM 0 HD13 LEU A 82 15.067 -15.869 0.894 1.00 0.00 H new ATOM 0 HD21 LEU A 82 13.555 -15.301 3.516 1.00 0.00 H new ATOM 0 HD22 LEU A 82 14.219 -14.030 2.461 1.00 0.00 H new ATOM 0 HD23 LEU A 82 12.494 -14.011 2.901 1.00 0.00 H new ATOM 1290 N LYS A 83 12.157 -11.738 -0.937 1.00 0.00 N ATOM 1291 CA LYS A 83 12.176 -10.863 -2.117 1.00 0.00 C ATOM 1292 C LYS A 83 10.859 -10.084 -2.287 1.00 0.00 C ATOM 1293 O LYS A 83 10.748 -9.235 -3.173 1.00 0.00 O ATOM 1294 CB LYS A 83 12.508 -11.686 -3.378 1.00 0.00 C ATOM 1295 CG LYS A 83 12.519 -10.887 -4.675 1.00 0.00 C ATOM 1296 CD LYS A 83 12.983 -11.733 -5.851 1.00 0.00 C ATOM 1297 CE LYS A 83 14.473 -12.029 -5.776 1.00 0.00 C ATOM 1298 NZ LYS A 83 15.289 -10.791 -5.886 1.00 0.00 N ATOM 0 H LYS A 83 12.797 -11.449 -0.197 1.00 0.00 H new ATOM 0 HA LYS A 83 12.957 -10.118 -1.967 1.00 0.00 H new ATOM 0 HB2 LYS A 83 13.485 -12.151 -3.245 1.00 0.00 H new ATOM 0 HB3 LYS A 83 11.781 -12.493 -3.470 1.00 0.00 H new ATOM 0 HG2 LYS A 83 11.519 -10.503 -4.875 1.00 0.00 H new ATOM 0 HG3 LYS A 83 13.176 -10.024 -4.566 1.00 0.00 H new ATOM 0 HD2 LYS A 83 12.426 -12.670 -5.868 1.00 0.00 H new ATOM 0 HD3 LYS A 83 12.761 -11.214 -6.783 1.00 0.00 H new ATOM 0 HE2 LYS A 83 14.697 -12.529 -4.834 1.00 0.00 H new ATOM 0 HE3 LYS A 83 14.747 -12.717 -6.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 16.267 -11.041 -6.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 14.890 -10.176 -6.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 15.282 -10.288 -4.976 1.00 0.00 H new ATOM 1312 N VAL A 84 9.878 -10.356 -1.431 1.00 0.00 N ATOM 1313 CA VAL A 84 8.600 -9.653 -1.482 1.00 0.00 C ATOM 1314 C VAL A 84 8.821 -8.156 -1.315 1.00 0.00 C ATOM 1315 O VAL A 84 9.115 -7.680 -0.217 1.00 0.00 O ATOM 1316 CB VAL A 84 7.629 -10.154 -0.392 1.00 0.00 C ATOM 1317 CG1 VAL A 84 6.260 -9.507 -0.554 1.00 0.00 C ATOM 1318 CG2 VAL A 84 7.514 -11.671 -0.433 1.00 0.00 C ATOM 0 H VAL A 84 9.944 -11.058 -0.694 1.00 0.00 H new ATOM 0 HA VAL A 84 8.152 -9.855 -2.455 1.00 0.00 H new ATOM 0 HB VAL A 84 8.029 -9.868 0.581 1.00 0.00 H new ATOM 0 HG11 VAL A 84 5.590 -9.873 0.224 1.00 0.00 H new ATOM 0 HG12 VAL A 84 6.357 -8.425 -0.469 1.00 0.00 H new ATOM 0 HG13 VAL A 84 5.852 -9.759 -1.533 1.00 0.00 H new ATOM 0 HG21 VAL A 84 6.825 -12.005 0.343 1.00 0.00 H new ATOM 0 HG22 VAL A 84 7.140 -11.981 -1.409 1.00 0.00 H new ATOM 0 HG23 VAL A 84 8.495 -12.115 -0.263 1.00 0.00 H new ATOM 1328 N THR A 85 8.680 -7.432 -2.417 1.00 0.00 N ATOM 1329 CA THR A 85 9.031 -6.020 -2.487 1.00 0.00 C ATOM 1330 C THR A 85 8.326 -5.181 -1.420 1.00 0.00 C ATOM 1331 O THR A 85 8.979 -4.615 -0.546 1.00 0.00 O ATOM 1332 CB THR A 85 8.713 -5.458 -3.885 1.00 0.00 C ATOM 1333 OG1 THR A 85 7.372 -5.808 -4.259 1.00 0.00 O ATOM 1334 CG2 THR A 85 9.692 -6.004 -4.915 1.00 0.00 C ATOM 0 H THR A 85 8.317 -7.810 -3.292 1.00 0.00 H new ATOM 0 HA THR A 85 10.102 -5.954 -2.296 1.00 0.00 H new ATOM 0 HB THR A 85 8.808 -4.373 -3.852 1.00 0.00 H new ATOM 0 HG1 THR A 85 7.175 -5.446 -5.148 1.00 0.00 H new ATOM 0 HG21 THR A 85 9.452 -5.596 -5.897 1.00 0.00 H new ATOM 0 HG22 THR A 85 10.707 -5.716 -4.641 1.00 0.00 H new ATOM 0 HG23 THR A 85 9.619 -7.091 -4.946 1.00 0.00 H new ATOM 1342 N ALA A 86 7.002 -5.120 -1.486 1.00 0.00 N ATOM 1343 CA ALA A 86 6.212 -4.295 -0.570 1.00 0.00 C ATOM 1344 C ALA A 86 6.518 -4.605 0.893 1.00 0.00 C ATOM 1345 O ALA A 86 6.539 -3.706 1.737 1.00 0.00 O ATOM 1346 CB ALA A 86 4.730 -4.486 -0.845 1.00 0.00 C ATOM 0 H ALA A 86 6.446 -5.635 -2.169 1.00 0.00 H new ATOM 0 HA ALA A 86 6.486 -3.255 -0.747 1.00 0.00 H new ATOM 0 HB1 ALA A 86 4.150 -3.869 -0.159 1.00 0.00 H new ATOM 0 HB2 ALA A 86 4.510 -4.193 -1.872 1.00 0.00 H new ATOM 0 HB3 ALA A 86 4.465 -5.534 -0.702 1.00 0.00 H new ATOM 1352 N LEU A 87 6.795 -5.865 1.186 1.00 0.00 N ATOM 1353 CA LEU A 87 6.968 -6.298 2.561 1.00 0.00 C ATOM 1354 C LEU A 87 8.390 -6.011 3.015 1.00 0.00 C ATOM 1355 O LEU A 87 8.610 -5.369 4.043 1.00 0.00 O ATOM 1356 CB LEU A 87 6.656 -7.796 2.686 1.00 0.00 C ATOM 1357 CG LEU A 87 6.111 -8.253 4.045 1.00 0.00 C ATOM 1358 CD1 LEU A 87 7.128 -8.039 5.156 1.00 0.00 C ATOM 1359 CD2 LEU A 87 4.814 -7.527 4.366 1.00 0.00 C ATOM 0 H LEU A 87 6.904 -6.604 0.491 1.00 0.00 H new ATOM 0 HA LEU A 87 6.277 -5.747 3.200 1.00 0.00 H new ATOM 0 HB2 LEU A 87 5.931 -8.062 1.917 1.00 0.00 H new ATOM 0 HB3 LEU A 87 7.566 -8.356 2.474 1.00 0.00 H new ATOM 0 HG LEU A 87 5.911 -9.323 3.980 1.00 0.00 H new ATOM 0 HD11 LEU A 87 6.707 -8.374 6.104 1.00 0.00 H new ATOM 0 HD12 LEU A 87 8.031 -8.610 4.938 1.00 0.00 H new ATOM 0 HD13 LEU A 87 7.376 -6.980 5.223 1.00 0.00 H new ATOM 0 HD21 LEU A 87 4.439 -7.862 5.333 1.00 0.00 H new ATOM 0 HD22 LEU A 87 4.997 -6.453 4.400 1.00 0.00 H new ATOM 0 HD23 LEU A 87 4.075 -7.745 3.595 1.00 0.00 H new ATOM 1371 N LYS A 88 9.351 -6.465 2.229 1.00 0.00 N ATOM 1372 CA LYS A 88 10.751 -6.294 2.563 1.00 0.00 C ATOM 1373 C LYS A 88 11.108 -4.817 2.591 1.00 0.00 C ATOM 1374 O LYS A 88 11.890 -4.383 3.427 1.00 0.00 O ATOM 1375 CB LYS A 88 11.643 -7.025 1.560 1.00 0.00 C ATOM 1376 CG LYS A 88 13.111 -7.036 1.953 1.00 0.00 C ATOM 1377 CD LYS A 88 13.961 -7.750 0.915 1.00 0.00 C ATOM 1378 CE LYS A 88 15.392 -7.925 1.396 1.00 0.00 C ATOM 1379 NZ LYS A 88 16.067 -6.624 1.643 1.00 0.00 N ATOM 0 H LYS A 88 9.184 -6.957 1.351 1.00 0.00 H new ATOM 0 HA LYS A 88 10.919 -6.722 3.551 1.00 0.00 H new ATOM 0 HB2 LYS A 88 11.295 -8.053 1.457 1.00 0.00 H new ATOM 0 HB3 LYS A 88 11.540 -6.554 0.583 1.00 0.00 H new ATOM 0 HG2 LYS A 88 13.464 -6.012 2.072 1.00 0.00 H new ATOM 0 HG3 LYS A 88 13.226 -7.527 2.919 1.00 0.00 H new ATOM 0 HD2 LYS A 88 13.527 -8.726 0.696 1.00 0.00 H new ATOM 0 HD3 LYS A 88 13.955 -7.182 -0.015 1.00 0.00 H new ATOM 0 HE2 LYS A 88 15.395 -8.513 2.314 1.00 0.00 H new ATOM 0 HE3 LYS A 88 15.956 -8.489 0.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 17.095 -6.772 1.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 15.856 -5.970 0.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 15.723 -6.219 2.537 1.00 0.00 H new ATOM 1393 N LYS A 89 10.509 -4.045 1.692 1.00 0.00 N ATOM 1394 CA LYS A 89 10.794 -2.616 1.613 1.00 0.00 C ATOM 1395 C LYS A 89 10.159 -1.862 2.767 1.00 0.00 C ATOM 1396 O LYS A 89 10.741 -0.908 3.271 1.00 0.00 O ATOM 1397 CB LYS A 89 10.336 -2.029 0.278 1.00 0.00 C ATOM 1398 CG LYS A 89 11.290 -2.321 -0.871 1.00 0.00 C ATOM 1399 CD LYS A 89 12.623 -1.612 -0.680 1.00 0.00 C ATOM 1400 CE LYS A 89 13.574 -1.865 -1.843 1.00 0.00 C ATOM 1401 NZ LYS A 89 13.008 -1.417 -3.141 1.00 0.00 N ATOM 0 H LYS A 89 9.827 -4.381 1.012 1.00 0.00 H new ATOM 0 HA LYS A 89 11.876 -2.499 1.683 1.00 0.00 H new ATOM 0 HB2 LYS A 89 9.352 -2.428 0.033 1.00 0.00 H new ATOM 0 HB3 LYS A 89 10.226 -0.950 0.383 1.00 0.00 H new ATOM 0 HG2 LYS A 89 11.455 -3.396 -0.944 1.00 0.00 H new ATOM 0 HG3 LYS A 89 10.838 -2.003 -1.811 1.00 0.00 H new ATOM 0 HD2 LYS A 89 12.453 -0.540 -0.577 1.00 0.00 H new ATOM 0 HD3 LYS A 89 13.085 -1.952 0.247 1.00 0.00 H new ATOM 0 HE2 LYS A 89 14.514 -1.345 -1.660 1.00 0.00 H new ATOM 0 HE3 LYS A 89 13.803 -2.929 -1.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 13.762 -1.386 -3.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 12.269 -2.082 -3.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 12.596 -0.468 -3.031 1.00 0.00 H new ATOM 1415 N TYR A 90 8.980 -2.294 3.203 1.00 0.00 N ATOM 1416 CA TYR A 90 8.333 -1.645 4.332 1.00 0.00 C ATOM 1417 C TYR A 90 9.135 -1.883 5.602 1.00 0.00 C ATOM 1418 O TYR A 90 9.239 -1.001 6.445 1.00 0.00 O ATOM 1419 CB TYR A 90 6.893 -2.131 4.522 1.00 0.00 C ATOM 1420 CG TYR A 90 6.159 -1.377 5.606 1.00 0.00 C ATOM 1421 CD1 TYR A 90 6.023 0.003 5.537 1.00 0.00 C ATOM 1422 CD2 TYR A 90 5.612 -2.035 6.698 1.00 0.00 C ATOM 1423 CE1 TYR A 90 5.367 0.707 6.522 1.00 0.00 C ATOM 1424 CE2 TYR A 90 4.948 -1.338 7.691 1.00 0.00 C ATOM 1425 CZ TYR A 90 4.831 0.034 7.597 1.00 0.00 C ATOM 1426 OH TYR A 90 4.173 0.740 8.579 1.00 0.00 O ATOM 0 H TYR A 90 8.463 -3.075 2.800 1.00 0.00 H new ATOM 0 HA TYR A 90 8.296 -0.577 4.120 1.00 0.00 H new ATOM 0 HB2 TYR A 90 6.352 -2.025 3.582 1.00 0.00 H new ATOM 0 HB3 TYR A 90 6.902 -3.193 4.767 1.00 0.00 H new ATOM 0 HD1 TYR A 90 6.440 0.535 4.694 1.00 0.00 H new ATOM 0 HD2 TYR A 90 5.706 -3.108 6.774 1.00 0.00 H new ATOM 0 HE1 TYR A 90 5.273 1.781 6.452 1.00 0.00 H new ATOM 0 HE2 TYR A 90 4.524 -1.864 8.534 1.00 0.00 H new ATOM 0 HH TYR A 90 3.852 0.121 9.268 1.00 0.00 H new ATOM 1436 N ARG A 91 9.714 -3.071 5.731 1.00 0.00 N ATOM 1437 CA ARG A 91 10.526 -3.387 6.900 1.00 0.00 C ATOM 1438 C ARG A 91 11.929 -2.809 6.746 1.00 0.00 C ATOM 1439 O ARG A 91 12.573 -2.451 7.732 1.00 0.00 O ATOM 1440 CB ARG A 91 10.599 -4.894 7.130 1.00 0.00 C ATOM 1441 CG ARG A 91 9.237 -5.562 7.212 1.00 0.00 C ATOM 1442 CD ARG A 91 9.301 -6.864 7.991 1.00 0.00 C ATOM 1443 NE ARG A 91 9.335 -6.628 9.433 1.00 0.00 N ATOM 1444 CZ ARG A 91 10.269 -7.112 10.252 1.00 0.00 C ATOM 1445 NH1 ARG A 91 11.303 -7.784 9.764 1.00 0.00 N ATOM 1446 NH2 ARG A 91 10.182 -6.898 11.558 1.00 0.00 N ATOM 0 H ARG A 91 9.638 -3.825 5.048 1.00 0.00 H new ATOM 0 HA ARG A 91 10.051 -2.934 7.770 1.00 0.00 H new ATOM 0 HB2 ARG A 91 11.170 -5.350 6.321 1.00 0.00 H new ATOM 0 HB3 ARG A 91 11.145 -5.086 8.053 1.00 0.00 H new ATOM 0 HG2 ARG A 91 8.527 -4.886 7.689 1.00 0.00 H new ATOM 0 HG3 ARG A 91 8.865 -5.757 6.206 1.00 0.00 H new ATOM 0 HD2 ARG A 91 8.436 -7.480 7.743 1.00 0.00 H new ATOM 0 HD3 ARG A 91 10.187 -7.424 7.693 1.00 0.00 H new ATOM 0 HE ARG A 91 8.595 -6.055 9.840 1.00 0.00 H new ATOM 0 HH11 ARG A 91 11.386 -7.932 8.758 1.00 0.00 H new ATOM 0 HH12 ARG A 91 12.015 -8.152 10.394 1.00 0.00 H new ATOM 0 HH21 ARG A 91 9.400 -6.363 11.936 1.00 0.00 H new ATOM 0 HH22 ARG A 91 10.897 -7.269 12.184 1.00 0.00 H new ATOM 1460 N GLN A 92 12.393 -2.721 5.505 1.00 0.00 N ATOM 1461 CA GLN A 92 13.691 -2.127 5.203 1.00 0.00 C ATOM 1462 C GLN A 92 13.663 -0.632 5.495 1.00 0.00 C ATOM 1463 O GLN A 92 14.666 -0.046 5.894 1.00 0.00 O ATOM 1464 CB GLN A 92 14.047 -2.353 3.732 1.00 0.00 C ATOM 1465 CG GLN A 92 15.508 -2.115 3.401 1.00 0.00 C ATOM 1466 CD GLN A 92 16.404 -3.229 3.902 1.00 0.00 C ATOM 1467 OE1 GLN A 92 16.622 -4.225 3.209 1.00 0.00 O ATOM 1468 NE2 GLN A 92 16.935 -3.073 5.105 1.00 0.00 N ATOM 0 H GLN A 92 11.886 -3.056 4.686 1.00 0.00 H new ATOM 0 HA GLN A 92 14.444 -2.603 5.831 1.00 0.00 H new ATOM 0 HB2 GLN A 92 13.787 -3.376 3.460 1.00 0.00 H new ATOM 0 HB3 GLN A 92 13.435 -1.694 3.116 1.00 0.00 H new ATOM 0 HG2 GLN A 92 15.622 -2.019 2.321 1.00 0.00 H new ATOM 0 HG3 GLN A 92 15.828 -1.170 3.840 1.00 0.00 H new ATOM 0 HE21 GLN A 92 16.730 -2.234 5.648 1.00 0.00 H new ATOM 0 HE22 GLN A 92 17.549 -3.792 5.489 1.00 0.00 H new ATOM 1477 N LEU A 93 12.505 -0.029 5.268 1.00 0.00 N ATOM 1478 CA LEU A 93 12.304 1.388 5.530 1.00 0.00 C ATOM 1479 C LEU A 93 11.797 1.603 6.956 1.00 0.00 C ATOM 1480 O LEU A 93 11.873 2.709 7.497 1.00 0.00 O ATOM 1481 CB LEU A 93 11.313 1.964 4.514 1.00 0.00 C ATOM 1482 CG LEU A 93 10.997 3.454 4.672 1.00 0.00 C ATOM 1483 CD1 LEU A 93 12.248 4.287 4.450 1.00 0.00 C ATOM 1484 CD2 LEU A 93 9.901 3.874 3.708 1.00 0.00 C ATOM 0 H LEU A 93 11.682 -0.506 4.899 1.00 0.00 H new ATOM 0 HA LEU A 93 13.257 1.907 5.429 1.00 0.00 H new ATOM 0 HB2 LEU A 93 11.710 1.799 3.512 1.00 0.00 H new ATOM 0 HB3 LEU A 93 10.381 1.403 4.584 1.00 0.00 H new ATOM 0 HG LEU A 93 10.643 3.624 5.689 1.00 0.00 H new ATOM 0 HD11 LEU A 93 12.007 5.344 4.566 1.00 0.00 H new ATOM 0 HD12 LEU A 93 13.007 4.006 5.180 1.00 0.00 H new ATOM 0 HD13 LEU A 93 12.629 4.110 3.444 1.00 0.00 H new ATOM 0 HD21 LEU A 93 9.691 4.936 3.836 1.00 0.00 H new ATOM 0 HD22 LEU A 93 10.226 3.689 2.684 1.00 0.00 H new ATOM 0 HD23 LEU A 93 8.998 3.299 3.911 1.00 0.00 H new ATOM 1496 N LEU A 94 11.278 0.535 7.557 1.00 0.00 N ATOM 1497 CA LEU A 94 10.813 0.577 8.939 1.00 0.00 C ATOM 1498 C LEU A 94 11.993 0.886 9.845 1.00 0.00 C ATOM 1499 O LEU A 94 11.885 1.659 10.799 1.00 0.00 O ATOM 1500 CB LEU A 94 10.185 -0.762 9.332 1.00 0.00 C ATOM 1501 CG LEU A 94 8.985 -0.673 10.268 1.00 0.00 C ATOM 1502 CD1 LEU A 94 7.836 0.049 9.581 1.00 0.00 C ATOM 1503 CD2 LEU A 94 8.552 -2.060 10.711 1.00 0.00 C ATOM 0 H LEU A 94 11.169 -0.373 7.105 1.00 0.00 H new ATOM 0 HA LEU A 94 10.054 1.353 9.043 1.00 0.00 H new ATOM 0 HB2 LEU A 94 9.878 -1.280 8.424 1.00 0.00 H new ATOM 0 HB3 LEU A 94 10.950 -1.377 9.807 1.00 0.00 H new ATOM 0 HG LEU A 94 9.274 -0.105 11.152 1.00 0.00 H new ATOM 0 HD11 LEU A 94 6.985 0.106 10.259 1.00 0.00 H new ATOM 0 HD12 LEU A 94 8.151 1.056 9.308 1.00 0.00 H new ATOM 0 HD13 LEU A 94 7.548 -0.497 8.683 1.00 0.00 H new ATOM 0 HD21 LEU A 94 7.694 -1.978 11.379 1.00 0.00 H new ATOM 0 HD22 LEU A 94 8.277 -2.651 9.838 1.00 0.00 H new ATOM 0 HD23 LEU A 94 9.374 -2.548 11.235 1.00 0.00 H new ATOM 1515 N GLU A 95 13.117 0.262 9.529 1.00 0.00 N ATOM 1516 CA GLU A 95 14.389 0.640 10.104 1.00 0.00 C ATOM 1517 C GLU A 95 14.977 1.721 9.211 1.00 0.00 C ATOM 1518 O GLU A 95 14.783 1.691 8.000 1.00 0.00 O ATOM 1519 CB GLU A 95 15.325 -0.572 10.184 1.00 0.00 C ATOM 1520 CG GLU A 95 16.047 -0.708 11.520 1.00 0.00 C ATOM 1521 CD GLU A 95 17.045 0.404 11.783 1.00 0.00 C ATOM 1522 OE1 GLU A 95 16.620 1.522 12.138 1.00 0.00 O ATOM 1523 OE2 GLU A 95 18.263 0.153 11.664 1.00 0.00 O ATOM 0 H GLU A 95 13.169 -0.515 8.871 1.00 0.00 H new ATOM 0 HA GLU A 95 14.261 1.011 11.121 1.00 0.00 H new ATOM 0 HB2 GLU A 95 14.747 -1.478 10.001 1.00 0.00 H new ATOM 0 HB3 GLU A 95 16.066 -0.500 9.388 1.00 0.00 H new ATOM 0 HG2 GLU A 95 15.310 -0.722 12.323 1.00 0.00 H new ATOM 0 HG3 GLU A 95 16.566 -1.666 11.548 1.00 0.00 H new ATOM 1530 N HIS A 96 15.679 2.677 9.778 1.00 0.00 N ATOM 1531 CA HIS A 96 16.125 3.818 8.991 1.00 0.00 C ATOM 1532 C HIS A 96 17.369 3.491 8.178 1.00 0.00 C ATOM 1533 O HIS A 96 18.483 3.871 8.530 1.00 0.00 O ATOM 1534 CB HIS A 96 16.332 5.051 9.870 1.00 0.00 C ATOM 1535 CG HIS A 96 15.035 5.667 10.304 1.00 0.00 C ATOM 1536 ND1 HIS A 96 14.349 6.589 9.545 1.00 0.00 N ATOM 1537 CD2 HIS A 96 14.273 5.454 11.404 1.00 0.00 C ATOM 1538 CE1 HIS A 96 13.226 6.914 10.155 1.00 0.00 C ATOM 1539 NE2 HIS A 96 13.152 6.240 11.286 1.00 0.00 N ATOM 0 H HIS A 96 15.952 2.694 10.761 1.00 0.00 H new ATOM 0 HA HIS A 96 15.333 4.053 8.279 1.00 0.00 H new ATOM 0 HB2 HIS A 96 16.912 4.773 10.750 1.00 0.00 H new ATOM 0 HB3 HIS A 96 16.917 5.790 9.323 1.00 0.00 H new ATOM 0 HD2 HIS A 96 14.504 4.789 12.223 1.00 0.00 H new ATOM 0 HE1 HIS A 96 12.490 7.615 9.789 1.00 0.00 H new ATOM 0 HE2 HIS A 96 12.389 6.293 11.961 1.00 0.00 H new ATOM 1548 N HIS A 97 17.159 2.741 7.101 1.00 0.00 N ATOM 1549 CA HIS A 97 18.202 2.437 6.130 1.00 0.00 C ATOM 1550 C HIS A 97 17.644 2.566 4.720 1.00 0.00 C ATOM 1551 O HIS A 97 17.186 1.590 4.128 1.00 0.00 O ATOM 1552 CB HIS A 97 18.766 1.027 6.329 1.00 0.00 C ATOM 1553 CG HIS A 97 19.584 0.868 7.570 1.00 0.00 C ATOM 1554 ND1 HIS A 97 19.394 -0.155 8.467 1.00 0.00 N ATOM 1555 CD2 HIS A 97 20.613 1.603 8.052 1.00 0.00 C ATOM 1556 CE1 HIS A 97 20.268 -0.045 9.449 1.00 0.00 C ATOM 1557 NE2 HIS A 97 21.021 1.013 9.221 1.00 0.00 N ATOM 0 H HIS A 97 16.255 2.325 6.877 1.00 0.00 H new ATOM 0 HA HIS A 97 19.013 3.150 6.278 1.00 0.00 H new ATOM 0 HB2 HIS A 97 17.939 0.317 6.358 1.00 0.00 H new ATOM 0 HB3 HIS A 97 19.379 0.767 5.466 1.00 0.00 H new ATOM 0 HD2 HIS A 97 21.034 2.489 7.600 1.00 0.00 H new ATOM 0 HE1 HIS A 97 20.352 -0.709 10.296 1.00 0.00 H new ATOM 0 HE2 HIS A 97 21.782 1.339 9.816 1.00 0.00 H new ATOM 1566 N HIS A 98 17.679 3.776 4.183 1.00 0.00 N ATOM 1567 CA HIS A 98 17.100 4.040 2.870 1.00 0.00 C ATOM 1568 C HIS A 98 18.177 3.960 1.788 1.00 0.00 C ATOM 1569 O HIS A 98 18.206 4.754 0.848 1.00 0.00 O ATOM 1570 CB HIS A 98 16.378 5.406 2.846 1.00 0.00 C ATOM 1571 CG HIS A 98 17.262 6.609 3.032 1.00 0.00 C ATOM 1572 ND1 HIS A 98 17.416 7.579 2.069 1.00 0.00 N ATOM 1573 CD2 HIS A 98 18.004 7.015 4.087 1.00 0.00 C ATOM 1574 CE1 HIS A 98 18.219 8.523 2.519 1.00 0.00 C ATOM 1575 NE2 HIS A 98 18.591 8.208 3.744 1.00 0.00 N ATOM 0 H HIS A 98 18.100 4.589 4.632 1.00 0.00 H new ATOM 0 HA HIS A 98 16.353 3.274 2.662 1.00 0.00 H new ATOM 0 HB2 HIS A 98 15.855 5.504 1.895 1.00 0.00 H new ATOM 0 HB3 HIS A 98 15.619 5.410 3.628 1.00 0.00 H new ATOM 0 HD1 HIS A 98 16.977 7.569 1.149 1.00 0.00 H new ATOM 0 HD2 HIS A 98 18.115 6.496 5.028 1.00 0.00 H new ATOM 0 HE1 HIS A 98 18.521 9.406 1.975 1.00 0.00 H new ATOM 1584 N HIS A 99 19.047 2.964 1.918 1.00 0.00 N ATOM 1585 CA HIS A 99 20.152 2.779 0.993 1.00 0.00 C ATOM 1586 C HIS A 99 19.675 2.107 -0.294 1.00 0.00 C ATOM 1587 O HIS A 99 19.788 0.893 -0.457 1.00 0.00 O ATOM 1588 CB HIS A 99 21.262 1.947 1.653 1.00 0.00 C ATOM 1589 CG HIS A 99 22.549 1.881 0.880 1.00 0.00 C ATOM 1590 ND1 HIS A 99 23.717 1.390 1.421 1.00 0.00 N ATOM 1591 CD2 HIS A 99 22.851 2.227 -0.397 1.00 0.00 C ATOM 1592 CE1 HIS A 99 24.676 1.441 0.517 1.00 0.00 C ATOM 1593 NE2 HIS A 99 24.179 1.944 -0.592 1.00 0.00 N ATOM 0 H HIS A 99 19.004 2.269 2.663 1.00 0.00 H new ATOM 0 HA HIS A 99 20.554 3.759 0.736 1.00 0.00 H new ATOM 0 HB2 HIS A 99 21.469 2.362 2.640 1.00 0.00 H new ATOM 0 HB3 HIS A 99 20.894 0.932 1.805 1.00 0.00 H new ATOM 0 HD2 HIS A 99 22.172 2.647 -1.124 1.00 0.00 H new ATOM 0 HE1 HIS A 99 25.698 1.123 0.663 1.00 0.00 H new ATOM 0 HE2 HIS A 99 24.697 2.099 -1.457 1.00 0.00 H new ATOM 1602 N HIS A 100 19.115 2.903 -1.189 1.00 0.00 N ATOM 1603 CA HIS A 100 18.715 2.411 -2.500 1.00 0.00 C ATOM 1604 C HIS A 100 19.811 2.695 -3.513 1.00 0.00 C ATOM 1605 O HIS A 100 20.809 3.336 -3.189 1.00 0.00 O ATOM 1606 CB HIS A 100 17.390 3.040 -2.959 1.00 0.00 C ATOM 1607 CG HIS A 100 17.423 4.538 -3.109 1.00 0.00 C ATOM 1608 ND1 HIS A 100 17.857 5.178 -4.253 1.00 0.00 N ATOM 1609 CD2 HIS A 100 17.041 5.517 -2.257 1.00 0.00 C ATOM 1610 CE1 HIS A 100 17.742 6.483 -4.091 1.00 0.00 C ATOM 1611 NE2 HIS A 100 17.248 6.716 -2.890 1.00 0.00 N ATOM 0 H HIS A 100 18.926 3.893 -1.033 1.00 0.00 H new ATOM 0 HA HIS A 100 18.561 1.335 -2.425 1.00 0.00 H new ATOM 0 HB2 HIS A 100 17.106 2.599 -3.915 1.00 0.00 H new ATOM 0 HB3 HIS A 100 16.611 2.777 -2.243 1.00 0.00 H new ATOM 0 HD2 HIS A 100 16.646 5.380 -1.261 1.00 0.00 H new ATOM 0 HE1 HIS A 100 18.008 7.234 -4.820 1.00 0.00 H new ATOM 0 HE2 HIS A 100 17.052 7.637 -2.497 1.00 0.00 H new ATOM 1620 N HIS A 101 19.626 2.217 -4.730 1.00 0.00 N ATOM 1621 CA HIS A 101 20.595 2.453 -5.786 1.00 0.00 C ATOM 1622 C HIS A 101 20.241 3.733 -6.534 1.00 0.00 C ATOM 1623 O HIS A 101 19.072 4.165 -6.436 1.00 0.00 O ATOM 1624 CB HIS A 101 20.646 1.264 -6.747 1.00 0.00 C ATOM 1625 CG HIS A 101 21.844 1.280 -7.644 1.00 0.00 C ATOM 1626 ND1 HIS A 101 21.788 1.009 -8.997 1.00 0.00 N ATOM 1627 CD2 HIS A 101 23.146 1.539 -7.371 1.00 0.00 C ATOM 1628 CE1 HIS A 101 23.003 1.101 -9.510 1.00 0.00 C ATOM 1629 NE2 HIS A 101 23.840 1.422 -8.545 1.00 0.00 N ATOM 1630 OXT HIS A 101 21.126 4.298 -7.211 1.00 0.00 O ATOM 0 H HIS A 101 18.816 1.664 -5.012 1.00 0.00 H new ATOM 0 HA HIS A 101 21.583 2.567 -5.339 1.00 0.00 H new ATOM 0 HB2 HIS A 101 20.645 0.339 -6.170 1.00 0.00 H new ATOM 0 HB3 HIS A 101 19.743 1.260 -7.358 1.00 0.00 H new ATOM 0 HD2 HIS A 101 23.559 1.791 -6.406 1.00 0.00 H new ATOM 0 HE1 HIS A 101 23.265 0.940 -10.545 1.00 0.00 H new ATOM 0 HE2 HIS A 101 24.844 1.561 -8.655 1.00 0.00 H new TER 1639 HIS A 101