USER MOD reduce.3.24.130724 H: found=0, std=0, add=534, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 534 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 10 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 14 CYS SG : rot -105:sc= -0.12 USER MOD Set 1.3: A 63 TYR OH : rot -67:sc= 0.0692 USER MOD Single : A 2 GLN : amide:sc= -0.739 K(o=-0.74,f=-9.8!) USER MOD Single : A 5 SER OG : rot 51:sc= 0.00265 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 MET CE :methyl -157:sc= -0.0754 (180deg=-0.367) USER MOD Single : A 11 CYS SG : rot -60:sc= -5.19! USER MOD Single : A 12 ASN : amide:sc= -0.97 K(o=-0.97,f=-2.9!) USER MOD Single : A 13 HIS : no HE2:sc= -1.09 X(o=-1.1,f=-0.69) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= -1.43 X(o=-1.4,f=-1.4) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 146:sc= -0.108 (180deg=-0.399) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= 0 K(o=0,f=0.68) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 CYS SG : rot -170:sc= -1.11 USER MOD Single : A 56 GLN : amide:sc= -0.359 K(o=-0.36,f=-2.2) USER MOD Single : A 59 ASN : amide:sc= -0.659 K(o=-0.66,f=-3.1!) USER MOD Single : A 64 GLN : amide:sc= -0.234 K(o=-0.23,f=-2.3!) USER MOD ----------------------------------------------------------------- ATOM 11 N GLN A 2 -7.044 -4.228 -4.592 1.00 0.00 N ATOM 12 CA GLN A 2 -7.650 -3.359 -3.598 1.00 0.00 C ATOM 13 C GLN A 2 -6.912 -2.020 -3.542 1.00 0.00 C ATOM 14 O GLN A 2 -5.789 -1.906 -4.032 1.00 0.00 O ATOM 15 CB GLN A 2 -7.672 -4.031 -2.223 1.00 0.00 C ATOM 16 CG GLN A 2 -9.103 -4.376 -1.804 1.00 0.00 C ATOM 17 CD GLN A 2 -10.001 -3.138 -1.850 1.00 0.00 C ATOM 18 OE1 GLN A 2 -9.550 -2.008 -1.756 1.00 0.00 O ATOM 19 NE2 GLN A 2 -11.294 -3.413 -1.999 1.00 0.00 N ATOM 0 HA GLN A 2 -8.683 -3.170 -3.891 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -7.068 -4.938 -2.248 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -7.222 -3.369 -1.483 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -9.504 -5.145 -2.464 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -9.101 -4.791 -0.796 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -11.604 -4.382 -2.071 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -11.975 -2.655 -2.041 1.00 0.00 H new ATOM 28 N GLU A 3 -7.572 -1.041 -2.942 1.00 0.00 N ATOM 29 CA GLU A 3 -6.993 0.285 -2.816 1.00 0.00 C ATOM 30 C GLU A 3 -7.146 0.797 -1.382 1.00 0.00 C ATOM 31 O GLU A 3 -7.902 0.231 -0.594 1.00 0.00 O ATOM 32 CB GLU A 3 -7.624 1.256 -3.815 1.00 0.00 C ATOM 33 CG GLU A 3 -9.063 0.850 -4.140 1.00 0.00 C ATOM 34 CD GLU A 3 -9.112 -0.059 -5.370 1.00 0.00 C ATOM 35 OE1 GLU A 3 -8.809 -1.260 -5.200 1.00 0.00 O ATOM 36 OE2 GLU A 3 -9.451 0.467 -6.452 1.00 0.00 O ATOM 0 H GLU A 3 -8.503 -1.140 -2.537 1.00 0.00 H new ATOM 0 HA GLU A 3 -5.930 0.219 -3.046 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -7.611 2.265 -3.404 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -7.033 1.277 -4.730 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -9.501 0.335 -3.285 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -9.665 1.741 -4.318 1.00 0.00 H new ATOM 43 N PHE A 4 -6.416 1.863 -1.087 1.00 0.00 N ATOM 44 CA PHE A 4 -6.461 2.458 0.238 1.00 0.00 C ATOM 45 C PHE A 4 -6.292 3.977 0.163 1.00 0.00 C ATOM 46 O PHE A 4 -5.327 4.470 -0.419 1.00 0.00 O ATOM 47 CB PHE A 4 -5.297 1.866 1.034 1.00 0.00 C ATOM 48 CG PHE A 4 -4.895 0.457 0.594 1.00 0.00 C ATOM 49 CD1 PHE A 4 -4.380 0.253 -0.649 1.00 0.00 C ATOM 50 CD2 PHE A 4 -5.052 -0.592 1.445 1.00 0.00 C ATOM 51 CE1 PHE A 4 -4.007 -1.055 -1.057 1.00 0.00 C ATOM 52 CE2 PHE A 4 -4.679 -1.900 1.036 1.00 0.00 C ATOM 53 CZ PHE A 4 -4.164 -2.104 -0.206 1.00 0.00 C ATOM 0 H PHE A 4 -5.790 2.330 -1.743 1.00 0.00 H new ATOM 0 HA PHE A 4 -7.422 2.249 0.707 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -4.434 2.525 0.940 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -5.567 1.843 2.090 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -4.255 1.086 -1.325 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -5.460 -0.431 2.432 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -3.598 -1.217 -2.044 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -4.804 -2.733 1.712 1.00 0.00 H new ATOM 0 HZ PHE A 4 -3.880 -3.099 -0.516 1.00 0.00 H new ATOM 63 N SER A 5 -7.246 4.676 0.759 1.00 0.00 N ATOM 64 CA SER A 5 -7.215 6.129 0.768 1.00 0.00 C ATOM 65 C SER A 5 -6.354 6.627 1.929 1.00 0.00 C ATOM 66 O SER A 5 -6.556 6.226 3.074 1.00 0.00 O ATOM 67 CB SER A 5 -8.627 6.709 0.867 1.00 0.00 C ATOM 68 OG SER A 5 -8.630 8.012 1.445 1.00 0.00 O ATOM 0 H SER A 5 -8.046 4.263 1.239 1.00 0.00 H new ATOM 0 HA SER A 5 -6.777 6.468 -0.171 1.00 0.00 H new ATOM 0 HB2 SER A 5 -9.072 6.752 -0.127 1.00 0.00 H new ATOM 0 HB3 SER A 5 -9.250 6.045 1.466 1.00 0.00 H new ATOM 0 HG SER A 5 -7.980 8.578 0.979 1.00 0.00 H new ATOM 74 N VAL A 6 -5.410 7.495 1.595 1.00 0.00 N ATOM 75 CA VAL A 6 -4.517 8.053 2.596 1.00 0.00 C ATOM 76 C VAL A 6 -5.012 9.444 2.996 1.00 0.00 C ATOM 77 O VAL A 6 -5.204 10.308 2.142 1.00 0.00 O ATOM 78 CB VAL A 6 -3.080 8.058 2.070 1.00 0.00 C ATOM 79 CG1 VAL A 6 -2.126 8.686 3.089 1.00 0.00 C ATOM 80 CG2 VAL A 6 -2.629 6.645 1.695 1.00 0.00 C ATOM 0 H VAL A 6 -5.244 7.826 0.644 1.00 0.00 H new ATOM 0 HA VAL A 6 -4.518 7.437 3.495 1.00 0.00 H new ATOM 0 HB VAL A 6 -3.055 8.668 1.167 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -1.111 8.677 2.691 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -2.430 9.714 3.286 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -2.157 8.114 4.017 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -1.605 6.676 1.324 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -2.677 6.002 2.574 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -3.284 6.248 0.919 1.00 0.00 H new ATOM 90 N LYS A 7 -5.204 9.618 4.296 1.00 0.00 N ATOM 91 CA LYS A 7 -5.672 10.889 4.820 1.00 0.00 C ATOM 92 C LYS A 7 -4.662 11.419 5.840 1.00 0.00 C ATOM 93 O LYS A 7 -5.043 11.883 6.913 1.00 0.00 O ATOM 94 CB LYS A 7 -7.091 10.750 5.376 1.00 0.00 C ATOM 95 CG LYS A 7 -8.108 10.580 4.245 1.00 0.00 C ATOM 96 CD LYS A 7 -9.519 10.931 4.721 1.00 0.00 C ATOM 97 CE LYS A 7 -9.807 12.422 4.529 1.00 0.00 C ATOM 98 NZ LYS A 7 -11.157 12.758 5.034 1.00 0.00 N ATOM 0 H LYS A 7 -5.044 8.899 5.002 1.00 0.00 H new ATOM 0 HA LYS A 7 -5.738 11.628 4.022 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -7.140 9.892 6.047 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -7.342 11.631 5.967 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -7.834 11.219 3.405 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -8.087 9.552 3.884 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -10.250 10.341 4.168 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -9.628 10.668 5.773 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -9.058 13.014 5.055 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -9.733 12.680 3.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -11.336 13.773 4.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -11.869 12.207 4.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -11.215 12.531 6.047 1.00 0.00 H new ATOM 112 N GLY A 8 -3.393 11.332 5.468 1.00 0.00 N ATOM 113 CA GLY A 8 -2.325 11.797 6.337 1.00 0.00 C ATOM 114 C GLY A 8 -1.025 11.990 5.553 1.00 0.00 C ATOM 115 O GLY A 8 0.063 11.928 6.123 1.00 0.00 O ATOM 0 H GLY A 8 -3.081 10.947 4.577 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -2.615 12.738 6.804 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -2.166 11.078 7.141 1.00 0.00 H new ATOM 119 N MET A 9 -1.182 12.219 4.257 1.00 0.00 N ATOM 120 CA MET A 9 -0.034 12.421 3.389 1.00 0.00 C ATOM 121 C MET A 9 0.594 13.797 3.623 1.00 0.00 C ATOM 122 O MET A 9 -0.042 14.687 4.184 1.00 0.00 O ATOM 123 CB MET A 9 -0.471 12.301 1.928 1.00 0.00 C ATOM 124 CG MET A 9 0.339 11.226 1.200 1.00 0.00 C ATOM 125 SD MET A 9 0.553 11.679 -0.513 1.00 0.00 S ATOM 126 CE MET A 9 -0.819 10.799 -1.240 1.00 0.00 C ATOM 0 H MET A 9 -2.086 12.269 3.788 1.00 0.00 H new ATOM 0 HA MET A 9 0.710 11.658 3.618 1.00 0.00 H new ATOM 0 HB2 MET A 9 -1.532 12.056 1.881 1.00 0.00 H new ATOM 0 HB3 MET A 9 -0.343 13.260 1.426 1.00 0.00 H new ATOM 0 HG2 MET A 9 1.312 11.106 1.677 1.00 0.00 H new ATOM 0 HG3 MET A 9 -0.171 10.265 1.270 1.00 0.00 H new ATOM 0 HE1 MET A 9 -0.620 10.625 -2.297 1.00 0.00 H new ATOM 0 HE2 MET A 9 -0.948 9.843 -0.733 1.00 0.00 H new ATOM 0 HE3 MET A 9 -1.728 11.391 -1.134 1.00 0.00 H new ATOM 136 N SER A 10 1.837 13.927 3.180 1.00 0.00 N ATOM 137 CA SER A 10 2.558 15.179 3.334 1.00 0.00 C ATOM 138 C SER A 10 2.849 15.787 1.961 1.00 0.00 C ATOM 139 O SER A 10 3.010 17.000 1.837 1.00 0.00 O ATOM 140 CB SER A 10 3.861 14.972 4.109 1.00 0.00 C ATOM 141 OG SER A 10 3.623 14.601 5.464 1.00 0.00 O ATOM 0 H SER A 10 2.362 13.186 2.715 1.00 0.00 H new ATOM 0 HA SER A 10 1.933 15.866 3.904 1.00 0.00 H new ATOM 0 HB2 SER A 10 4.455 14.199 3.620 1.00 0.00 H new ATOM 0 HB3 SER A 10 4.448 15.890 4.082 1.00 0.00 H new ATOM 0 HG SER A 10 4.479 14.477 5.924 1.00 0.00 H new ATOM 147 N CYS A 11 2.906 14.917 0.963 1.00 0.00 N ATOM 148 CA CYS A 11 3.174 15.354 -0.397 1.00 0.00 C ATOM 149 C CYS A 11 4.668 15.175 -0.673 1.00 0.00 C ATOM 150 O CYS A 11 5.094 15.177 -1.827 1.00 0.00 O ATOM 151 CB CYS A 11 2.719 16.796 -0.627 1.00 0.00 C ATOM 152 SG CYS A 11 2.354 17.061 -2.401 1.00 0.00 S ATOM 0 H CYS A 11 2.771 13.912 1.069 1.00 0.00 H new ATOM 0 HA CYS A 11 2.601 14.746 -1.097 1.00 0.00 H new ATOM 0 HB2 CYS A 11 1.832 17.006 -0.029 1.00 0.00 H new ATOM 0 HB3 CYS A 11 3.495 17.488 -0.300 1.00 0.00 H new ATOM 0 HG CYS A 11 3.425 16.835 -3.103 1.00 0.00 H new ATOM 158 N ASN A 12 5.423 15.025 0.406 1.00 0.00 N ATOM 159 CA ASN A 12 6.861 14.846 0.294 1.00 0.00 C ATOM 160 C ASN A 12 7.156 13.431 -0.206 1.00 0.00 C ATOM 161 O ASN A 12 6.438 12.906 -1.056 1.00 0.00 O ATOM 162 CB ASN A 12 7.544 15.020 1.652 1.00 0.00 C ATOM 163 CG ASN A 12 6.857 16.110 2.476 1.00 0.00 C ATOM 164 OD1 ASN A 12 6.109 16.930 1.969 1.00 0.00 O ATOM 165 ND2 ASN A 12 7.152 16.075 3.772 1.00 0.00 N ATOM 0 H ASN A 12 5.066 15.024 1.362 1.00 0.00 H new ATOM 0 HA ASN A 12 7.242 15.595 -0.400 1.00 0.00 H new ATOM 0 HB2 ASN A 12 7.520 14.077 2.198 1.00 0.00 H new ATOM 0 HB3 ASN A 12 8.593 15.277 1.505 1.00 0.00 H new ATOM 0 HD21 ASN A 12 6.744 16.762 4.407 1.00 0.00 H new ATOM 0 HD22 ASN A 12 7.786 15.361 4.132 1.00 0.00 H new ATOM 172 N HIS A 13 8.214 12.852 0.343 1.00 0.00 N ATOM 173 CA HIS A 13 8.614 11.508 -0.037 1.00 0.00 C ATOM 174 C HIS A 13 7.743 10.487 0.698 1.00 0.00 C ATOM 175 O HIS A 13 8.137 9.333 0.862 1.00 0.00 O ATOM 176 CB HIS A 13 10.109 11.296 0.206 1.00 0.00 C ATOM 177 CG HIS A 13 10.439 10.769 1.582 1.00 0.00 C ATOM 178 ND1 HIS A 13 11.051 9.545 1.789 1.00 0.00 N ATOM 179 CD2 HIS A 13 10.237 11.312 2.817 1.00 0.00 C ATOM 180 CE1 HIS A 13 11.205 9.370 3.093 1.00 0.00 C ATOM 181 NE2 HIS A 13 10.699 10.465 3.729 1.00 0.00 N ATOM 0 H HIS A 13 8.807 13.290 1.048 1.00 0.00 H new ATOM 0 HA HIS A 13 8.456 11.367 -1.106 1.00 0.00 H new ATOM 0 HB2 HIS A 13 10.493 10.600 -0.540 1.00 0.00 H new ATOM 0 HB3 HIS A 13 10.629 12.242 0.056 1.00 0.00 H new ATOM 0 HD1 HIS A 13 11.335 8.889 1.061 1.00 0.00 H new ATOM 0 HD2 HIS A 13 9.779 12.269 3.019 1.00 0.00 H new ATOM 0 HE1 HIS A 13 11.653 8.510 3.569 1.00 0.00 H new ATOM 189 N CYS A 14 6.575 10.948 1.121 1.00 0.00 N ATOM 190 CA CYS A 14 5.646 10.090 1.835 1.00 0.00 C ATOM 191 C CYS A 14 5.152 9.009 0.870 1.00 0.00 C ATOM 192 O CYS A 14 5.267 7.818 1.156 1.00 0.00 O ATOM 193 CB CYS A 14 4.488 10.887 2.438 1.00 0.00 C ATOM 194 SG CYS A 14 4.990 11.597 4.049 1.00 0.00 S ATOM 0 H CYS A 14 6.251 11.905 0.983 1.00 0.00 H new ATOM 0 HA CYS A 14 6.155 9.621 2.677 1.00 0.00 H new ATOM 0 HB2 CYS A 14 4.190 11.684 1.757 1.00 0.00 H new ATOM 0 HB3 CYS A 14 3.621 10.240 2.570 1.00 0.00 H new ATOM 0 HG CYS A 14 4.437 10.922 5.012 1.00 0.00 H new ATOM 200 N VAL A 15 4.614 9.463 -0.252 1.00 0.00 N ATOM 201 CA VAL A 15 4.103 8.550 -1.260 1.00 0.00 C ATOM 202 C VAL A 15 5.078 7.383 -1.426 1.00 0.00 C ATOM 203 O VAL A 15 4.671 6.223 -1.416 1.00 0.00 O ATOM 204 CB VAL A 15 3.845 9.304 -2.566 1.00 0.00 C ATOM 205 CG1 VAL A 15 3.916 8.360 -3.768 1.00 0.00 C ATOM 206 CG2 VAL A 15 2.501 10.034 -2.521 1.00 0.00 C ATOM 0 H VAL A 15 4.521 10.452 -0.485 1.00 0.00 H new ATOM 0 HA VAL A 15 3.146 8.132 -0.947 1.00 0.00 H new ATOM 0 HB VAL A 15 4.629 10.052 -2.681 1.00 0.00 H new ATOM 0 HG11 VAL A 15 3.729 8.922 -4.683 1.00 0.00 H new ATOM 0 HG12 VAL A 15 4.906 7.906 -3.816 1.00 0.00 H new ATOM 0 HG13 VAL A 15 3.164 7.578 -3.662 1.00 0.00 H new ATOM 0 HG21 VAL A 15 2.342 10.562 -3.461 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.699 9.311 -2.371 1.00 0.00 H new ATOM 0 HG23 VAL A 15 2.503 10.750 -1.699 1.00 0.00 H new ATOM 216 N ALA A 16 6.348 7.732 -1.576 1.00 0.00 N ATOM 217 CA ALA A 16 7.385 6.727 -1.744 1.00 0.00 C ATOM 218 C ALA A 16 7.484 5.885 -0.471 1.00 0.00 C ATOM 219 O ALA A 16 7.556 4.659 -0.537 1.00 0.00 O ATOM 220 CB ALA A 16 8.707 7.412 -2.095 1.00 0.00 C ATOM 0 H ALA A 16 6.682 8.696 -1.585 1.00 0.00 H new ATOM 0 HA ALA A 16 7.138 6.054 -2.565 1.00 0.00 H new ATOM 0 HB1 ALA A 16 9.485 6.659 -2.221 1.00 0.00 H new ATOM 0 HB2 ALA A 16 8.591 7.973 -3.022 1.00 0.00 H new ATOM 0 HB3 ALA A 16 8.988 8.093 -1.292 1.00 0.00 H new ATOM 226 N ARG A 17 7.486 6.577 0.660 1.00 0.00 N ATOM 227 CA ARG A 17 7.576 5.908 1.946 1.00 0.00 C ATOM 228 C ARG A 17 6.482 4.846 2.070 1.00 0.00 C ATOM 229 O ARG A 17 6.713 3.773 2.625 1.00 0.00 O ATOM 230 CB ARG A 17 7.440 6.907 3.097 1.00 0.00 C ATOM 231 CG ARG A 17 8.683 6.888 3.989 1.00 0.00 C ATOM 232 CD ARG A 17 8.302 7.039 5.463 1.00 0.00 C ATOM 233 NE ARG A 17 9.414 6.575 6.323 1.00 0.00 N ATOM 234 CZ ARG A 17 10.453 7.339 6.685 1.00 0.00 C ATOM 235 NH1 ARG A 17 10.530 8.609 6.264 1.00 0.00 N ATOM 236 NH2 ARG A 17 11.416 6.833 7.468 1.00 0.00 N ATOM 0 H ARG A 17 7.427 7.594 0.711 1.00 0.00 H new ATOM 0 HA ARG A 17 8.556 5.434 2.005 1.00 0.00 H new ATOM 0 HB2 ARG A 17 7.290 7.910 2.697 1.00 0.00 H new ATOM 0 HB3 ARG A 17 6.558 6.666 3.691 1.00 0.00 H new ATOM 0 HG2 ARG A 17 9.225 5.954 3.844 1.00 0.00 H new ATOM 0 HG3 ARG A 17 9.356 7.695 3.699 1.00 0.00 H new ATOM 0 HD2 ARG A 17 8.072 8.082 5.683 1.00 0.00 H new ATOM 0 HD3 ARG A 17 7.402 6.462 5.675 1.00 0.00 H new ATOM 0 HE ARG A 17 9.387 5.613 6.661 1.00 0.00 H new ATOM 0 HH11 ARG A 17 9.797 8.994 5.668 1.00 0.00 H new ATOM 0 HH12 ARG A 17 11.321 9.191 6.540 1.00 0.00 H new ATOM 0 HH21 ARG A 17 11.358 5.866 7.788 1.00 0.00 H new ATOM 0 HH22 ARG A 17 12.207 7.415 7.744 1.00 0.00 H new ATOM 250 N ILE A 18 5.314 5.181 1.543 1.00 0.00 N ATOM 251 CA ILE A 18 4.183 4.270 1.587 1.00 0.00 C ATOM 252 C ILE A 18 4.392 3.155 0.560 1.00 0.00 C ATOM 253 O ILE A 18 4.450 1.980 0.917 1.00 0.00 O ATOM 254 CB ILE A 18 2.870 5.035 1.406 1.00 0.00 C ATOM 255 CG1 ILE A 18 2.781 6.208 2.384 1.00 0.00 C ATOM 256 CG2 ILE A 18 1.668 4.096 1.525 1.00 0.00 C ATOM 257 CD1 ILE A 18 1.551 7.071 2.093 1.00 0.00 C ATOM 0 H ILE A 18 5.126 6.072 1.083 1.00 0.00 H new ATOM 0 HA ILE A 18 4.115 3.795 2.565 1.00 0.00 H new ATOM 0 HB ILE A 18 2.853 5.453 0.399 1.00 0.00 H new ATOM 0 HG12 ILE A 18 2.732 5.832 3.406 1.00 0.00 H new ATOM 0 HG13 ILE A 18 3.682 6.816 2.311 1.00 0.00 H new ATOM 0 HG21 ILE A 18 0.748 4.665 1.393 1.00 0.00 H new ATOM 0 HG22 ILE A 18 1.732 3.325 0.758 1.00 0.00 H new ATOM 0 HG23 ILE A 18 1.667 3.629 2.510 1.00 0.00 H new ATOM 0 HD11 ILE A 18 1.511 7.898 2.802 1.00 0.00 H new ATOM 0 HD12 ILE A 18 1.615 7.465 1.079 1.00 0.00 H new ATOM 0 HD13 ILE A 18 0.650 6.465 2.191 1.00 0.00 H new ATOM 269 N GLU A 19 4.498 3.564 -0.696 1.00 0.00 N ATOM 270 CA GLU A 19 4.698 2.614 -1.778 1.00 0.00 C ATOM 271 C GLU A 19 5.763 1.586 -1.390 1.00 0.00 C ATOM 272 O GLU A 19 5.543 0.382 -1.514 1.00 0.00 O ATOM 273 CB GLU A 19 5.076 3.332 -3.075 1.00 0.00 C ATOM 274 CG GLU A 19 5.855 2.404 -4.009 1.00 0.00 C ATOM 275 CD GLU A 19 7.359 2.494 -3.741 1.00 0.00 C ATOM 276 OE1 GLU A 19 7.837 3.635 -3.564 1.00 0.00 O ATOM 277 OE2 GLU A 19 7.996 1.419 -3.720 1.00 0.00 O ATOM 0 H GLU A 19 4.449 4.540 -0.989 1.00 0.00 H new ATOM 0 HA GLU A 19 3.759 2.088 -1.953 1.00 0.00 H new ATOM 0 HB2 GLU A 19 4.174 3.684 -3.576 1.00 0.00 H new ATOM 0 HB3 GLU A 19 5.678 4.212 -2.846 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.518 1.377 -3.871 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.650 2.670 -5.046 1.00 0.00 H new ATOM 284 N GLU A 20 6.895 2.098 -0.930 1.00 0.00 N ATOM 285 CA GLU A 20 7.995 1.240 -0.524 1.00 0.00 C ATOM 286 C GLU A 20 7.595 0.406 0.695 1.00 0.00 C ATOM 287 O GLU A 20 7.716 -0.818 0.681 1.00 0.00 O ATOM 288 CB GLU A 20 9.254 2.060 -0.237 1.00 0.00 C ATOM 289 CG GLU A 20 10.516 1.239 -0.509 1.00 0.00 C ATOM 290 CD GLU A 20 11.160 0.775 0.799 1.00 0.00 C ATOM 291 OE1 GLU A 20 11.259 1.620 1.715 1.00 0.00 O ATOM 292 OE2 GLU A 20 11.538 -0.415 0.855 1.00 0.00 O ATOM 0 H GLU A 20 7.074 3.097 -0.829 1.00 0.00 H new ATOM 0 HA GLU A 20 8.223 0.562 -1.346 1.00 0.00 H new ATOM 0 HB2 GLU A 20 9.258 2.956 -0.857 1.00 0.00 H new ATOM 0 HB3 GLU A 20 9.248 2.391 0.801 1.00 0.00 H new ATOM 0 HG2 GLU A 20 10.266 0.373 -1.123 1.00 0.00 H new ATOM 0 HG3 GLU A 20 11.228 1.837 -1.077 1.00 0.00 H new ATOM 299 N ALA A 21 7.127 1.102 1.721 1.00 0.00 N ATOM 300 CA ALA A 21 6.708 0.441 2.945 1.00 0.00 C ATOM 301 C ALA A 21 5.679 -0.640 2.610 1.00 0.00 C ATOM 302 O ALA A 21 5.592 -1.655 3.300 1.00 0.00 O ATOM 303 CB ALA A 21 6.163 1.481 3.927 1.00 0.00 C ATOM 0 H ALA A 21 7.029 2.117 1.729 1.00 0.00 H new ATOM 0 HA ALA A 21 7.555 -0.048 3.426 1.00 0.00 H new ATOM 0 HB1 ALA A 21 5.849 0.985 4.845 1.00 0.00 H new ATOM 0 HB2 ALA A 21 6.942 2.208 4.156 1.00 0.00 H new ATOM 0 HB3 ALA A 21 5.310 1.991 3.480 1.00 0.00 H new ATOM 309 N VAL A 22 4.924 -0.385 1.551 1.00 0.00 N ATOM 310 CA VAL A 22 3.904 -1.324 1.116 1.00 0.00 C ATOM 311 C VAL A 22 4.572 -2.508 0.415 1.00 0.00 C ATOM 312 O VAL A 22 4.278 -3.663 0.722 1.00 0.00 O ATOM 313 CB VAL A 22 2.877 -0.610 0.236 1.00 0.00 C ATOM 314 CG1 VAL A 22 1.844 -1.596 -0.312 1.00 0.00 C ATOM 315 CG2 VAL A 22 2.197 0.529 0.999 1.00 0.00 C ATOM 0 H VAL A 22 4.998 0.458 0.982 1.00 0.00 H new ATOM 0 HA VAL A 22 3.359 -1.720 1.973 1.00 0.00 H new ATOM 0 HB VAL A 22 3.408 -0.175 -0.611 1.00 0.00 H new ATOM 0 HG11 VAL A 22 1.126 -1.062 -0.934 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.348 -2.356 -0.910 1.00 0.00 H new ATOM 0 HG13 VAL A 22 1.321 -2.074 0.517 1.00 0.00 H new ATOM 0 HG21 VAL A 22 1.472 1.020 0.350 1.00 0.00 H new ATOM 0 HG22 VAL A 22 1.687 0.127 1.874 1.00 0.00 H new ATOM 0 HG23 VAL A 22 2.947 1.253 1.317 1.00 0.00 H new ATOM 325 N GLY A 23 5.459 -2.181 -0.513 1.00 0.00 N ATOM 326 CA GLY A 23 6.172 -3.204 -1.260 1.00 0.00 C ATOM 327 C GLY A 23 7.002 -4.087 -0.327 1.00 0.00 C ATOM 328 O GLY A 23 7.487 -5.142 -0.733 1.00 0.00 O ATOM 0 H GLY A 23 5.700 -1.223 -0.765 1.00 0.00 H new ATOM 0 HA2 GLY A 23 5.460 -3.819 -1.811 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.824 -2.734 -1.996 1.00 0.00 H new ATOM 332 N ARG A 24 7.140 -3.623 0.907 1.00 0.00 N ATOM 333 CA ARG A 24 7.903 -4.358 1.901 1.00 0.00 C ATOM 334 C ARG A 24 7.084 -5.536 2.434 1.00 0.00 C ATOM 335 O ARG A 24 7.638 -6.470 3.011 1.00 0.00 O ATOM 336 CB ARG A 24 8.301 -3.453 3.069 1.00 0.00 C ATOM 337 CG ARG A 24 8.696 -4.280 4.294 1.00 0.00 C ATOM 338 CD ARG A 24 9.607 -3.479 5.226 1.00 0.00 C ATOM 339 NE ARG A 24 9.868 -4.248 6.463 1.00 0.00 N ATOM 340 CZ ARG A 24 10.740 -3.876 7.410 1.00 0.00 C ATOM 341 NH1 ARG A 24 11.441 -2.743 7.266 1.00 0.00 N ATOM 342 NH2 ARG A 24 10.912 -4.636 8.499 1.00 0.00 N ATOM 0 H ARG A 24 6.736 -2.748 1.240 1.00 0.00 H new ATOM 0 HA ARG A 24 8.807 -4.728 1.418 1.00 0.00 H new ATOM 0 HB2 ARG A 24 9.134 -2.816 2.772 1.00 0.00 H new ATOM 0 HB3 ARG A 24 7.470 -2.795 3.323 1.00 0.00 H new ATOM 0 HG2 ARG A 24 7.800 -4.589 4.833 1.00 0.00 H new ATOM 0 HG3 ARG A 24 9.206 -5.189 3.975 1.00 0.00 H new ATOM 0 HD2 ARG A 24 10.547 -3.253 4.723 1.00 0.00 H new ATOM 0 HD3 ARG A 24 9.140 -2.525 5.473 1.00 0.00 H new ATOM 0 HE ARG A 24 9.351 -5.116 6.604 1.00 0.00 H new ATOM 0 HH11 ARG A 24 11.311 -2.165 6.436 1.00 0.00 H new ATOM 0 HH12 ARG A 24 12.105 -2.459 7.986 1.00 0.00 H new ATOM 0 HH21 ARG A 24 10.379 -5.499 8.608 1.00 0.00 H new ATOM 0 HH22 ARG A 24 11.576 -4.352 9.219 1.00 0.00 H new ATOM 356 N ILE A 25 5.779 -5.452 2.223 1.00 0.00 N ATOM 357 CA ILE A 25 4.879 -6.500 2.675 1.00 0.00 C ATOM 358 C ILE A 25 5.115 -7.763 1.844 1.00 0.00 C ATOM 359 O ILE A 25 4.909 -7.760 0.631 1.00 0.00 O ATOM 360 CB ILE A 25 3.430 -6.009 2.649 1.00 0.00 C ATOM 361 CG1 ILE A 25 3.273 -4.720 3.459 1.00 0.00 C ATOM 362 CG2 ILE A 25 2.472 -7.104 3.122 1.00 0.00 C ATOM 363 CD1 ILE A 25 2.158 -3.844 2.886 1.00 0.00 C ATOM 0 H ILE A 25 5.323 -4.675 1.745 1.00 0.00 H new ATOM 0 HA ILE A 25 5.086 -6.758 3.714 1.00 0.00 H new ATOM 0 HB ILE A 25 3.167 -5.775 1.618 1.00 0.00 H new ATOM 0 HG12 ILE A 25 3.051 -4.964 4.498 1.00 0.00 H new ATOM 0 HG13 ILE A 25 4.213 -4.167 3.455 1.00 0.00 H new ATOM 0 HG21 ILE A 25 1.449 -6.729 3.094 1.00 0.00 H new ATOM 0 HG22 ILE A 25 2.559 -7.971 2.467 1.00 0.00 H new ATOM 0 HG23 ILE A 25 2.725 -7.393 4.142 1.00 0.00 H new ATOM 0 HD11 ILE A 25 2.068 -2.935 3.480 1.00 0.00 H new ATOM 0 HD12 ILE A 25 2.395 -3.582 1.855 1.00 0.00 H new ATOM 0 HD13 ILE A 25 1.215 -4.391 2.914 1.00 0.00 H new ATOM 375 N SER A 26 5.544 -8.812 2.530 1.00 0.00 N ATOM 376 CA SER A 26 5.810 -10.079 1.871 1.00 0.00 C ATOM 377 C SER A 26 4.509 -10.666 1.321 1.00 0.00 C ATOM 378 O SER A 26 3.800 -11.382 2.026 1.00 0.00 O ATOM 379 CB SER A 26 6.476 -11.069 2.829 1.00 0.00 C ATOM 380 OG SER A 26 6.603 -12.366 2.253 1.00 0.00 O ATOM 0 H SER A 26 5.714 -8.810 3.536 1.00 0.00 H new ATOM 0 HA SER A 26 6.497 -9.897 1.044 1.00 0.00 H new ATOM 0 HB2 SER A 26 7.462 -10.697 3.106 1.00 0.00 H new ATOM 0 HB3 SER A 26 5.891 -11.135 3.746 1.00 0.00 H new ATOM 0 HG SER A 26 7.034 -12.968 2.895 1.00 0.00 H new ATOM 386 N GLY A 27 4.235 -10.341 0.066 1.00 0.00 N ATOM 387 CA GLY A 27 3.032 -10.828 -0.587 1.00 0.00 C ATOM 388 C GLY A 27 2.572 -9.861 -1.680 1.00 0.00 C ATOM 389 O GLY A 27 1.815 -10.241 -2.573 1.00 0.00 O ATOM 0 H GLY A 27 4.825 -9.746 -0.516 1.00 0.00 H new ATOM 0 HA2 GLY A 27 3.222 -11.810 -1.021 1.00 0.00 H new ATOM 0 HA3 GLY A 27 2.239 -10.953 0.150 1.00 0.00 H new ATOM 393 N VAL A 28 3.049 -8.629 -1.575 1.00 0.00 N ATOM 394 CA VAL A 28 2.696 -7.605 -2.544 1.00 0.00 C ATOM 395 C VAL A 28 3.542 -7.789 -3.805 1.00 0.00 C ATOM 396 O VAL A 28 4.771 -7.795 -3.738 1.00 0.00 O ATOM 397 CB VAL A 28 2.850 -6.218 -1.918 1.00 0.00 C ATOM 398 CG1 VAL A 28 3.120 -5.159 -2.990 1.00 0.00 C ATOM 399 CG2 VAL A 28 1.621 -5.853 -1.083 1.00 0.00 C ATOM 0 H VAL A 28 3.677 -8.317 -0.834 1.00 0.00 H new ATOM 0 HA VAL A 28 1.651 -7.701 -2.837 1.00 0.00 H new ATOM 0 HB VAL A 28 3.711 -6.246 -1.251 1.00 0.00 H new ATOM 0 HG11 VAL A 28 3.225 -4.182 -2.518 1.00 0.00 H new ATOM 0 HG12 VAL A 28 4.039 -5.406 -3.522 1.00 0.00 H new ATOM 0 HG13 VAL A 28 2.288 -5.134 -3.694 1.00 0.00 H new ATOM 0 HG21 VAL A 28 1.757 -4.862 -0.649 1.00 0.00 H new ATOM 0 HG22 VAL A 28 0.736 -5.852 -1.719 1.00 0.00 H new ATOM 0 HG23 VAL A 28 1.493 -6.584 -0.285 1.00 0.00 H new ATOM 409 N LYS A 29 2.852 -7.936 -4.926 1.00 0.00 N ATOM 410 CA LYS A 29 3.524 -8.120 -6.201 1.00 0.00 C ATOM 411 C LYS A 29 3.886 -6.752 -6.784 1.00 0.00 C ATOM 412 O LYS A 29 5.032 -6.519 -7.164 1.00 0.00 O ATOM 413 CB LYS A 29 2.673 -8.981 -7.136 1.00 0.00 C ATOM 414 CG LYS A 29 3.174 -8.883 -8.579 1.00 0.00 C ATOM 415 CD LYS A 29 3.432 -10.272 -9.165 1.00 0.00 C ATOM 416 CE LYS A 29 4.739 -10.860 -8.628 1.00 0.00 C ATOM 417 NZ LYS A 29 5.530 -11.455 -9.728 1.00 0.00 N ATOM 0 H LYS A 29 1.833 -7.931 -4.978 1.00 0.00 H new ATOM 0 HA LYS A 29 4.457 -8.666 -6.064 1.00 0.00 H new ATOM 0 HB2 LYS A 29 2.702 -10.020 -6.807 1.00 0.00 H new ATOM 0 HB3 LYS A 29 1.633 -8.660 -7.086 1.00 0.00 H new ATOM 0 HG2 LYS A 29 2.438 -8.358 -9.188 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.091 -8.295 -8.610 1.00 0.00 H new ATOM 0 HD2 LYS A 29 2.602 -10.935 -8.918 1.00 0.00 H new ATOM 0 HD3 LYS A 29 3.477 -10.209 -10.252 1.00 0.00 H new ATOM 0 HE2 LYS A 29 5.320 -10.081 -8.135 1.00 0.00 H new ATOM 0 HE3 LYS A 29 4.522 -11.619 -7.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 6.413 -11.849 -9.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 4.980 -12.213 -10.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 5.753 -10.722 -10.431 1.00 0.00 H new ATOM 431 N LYS A 30 2.887 -5.883 -6.836 1.00 0.00 N ATOM 432 CA LYS A 30 3.086 -4.545 -7.366 1.00 0.00 C ATOM 433 C LYS A 30 2.371 -3.534 -6.467 1.00 0.00 C ATOM 434 O LYS A 30 1.424 -3.883 -5.764 1.00 0.00 O ATOM 435 CB LYS A 30 2.651 -4.480 -8.831 1.00 0.00 C ATOM 436 CG LYS A 30 3.236 -5.646 -9.630 1.00 0.00 C ATOM 437 CD LYS A 30 3.730 -5.180 -11.001 1.00 0.00 C ATOM 438 CE LYS A 30 5.244 -5.361 -11.130 1.00 0.00 C ATOM 439 NZ LYS A 30 5.870 -4.132 -11.665 1.00 0.00 N ATOM 0 H LYS A 30 1.937 -6.080 -6.520 1.00 0.00 H new ATOM 0 HA LYS A 30 4.145 -4.286 -7.359 1.00 0.00 H new ATOM 0 HB2 LYS A 30 1.563 -4.503 -8.892 1.00 0.00 H new ATOM 0 HB3 LYS A 30 2.975 -3.536 -9.269 1.00 0.00 H new ATOM 0 HG2 LYS A 30 4.061 -6.094 -9.075 1.00 0.00 H new ATOM 0 HG3 LYS A 30 2.479 -6.420 -9.756 1.00 0.00 H new ATOM 0 HD2 LYS A 30 3.225 -5.745 -11.785 1.00 0.00 H new ATOM 0 HD3 LYS A 30 3.472 -4.131 -11.147 1.00 0.00 H new ATOM 0 HE2 LYS A 30 5.672 -5.600 -10.156 1.00 0.00 H new ATOM 0 HE3 LYS A 30 5.461 -6.202 -11.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 6.897 -4.273 -11.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 5.474 -3.921 -12.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 5.679 -3.337 -11.022 1.00 0.00 H new ATOM 453 N VAL A 31 2.853 -2.301 -6.519 1.00 0.00 N ATOM 454 CA VAL A 31 2.272 -1.237 -5.718 1.00 0.00 C ATOM 455 C VAL A 31 2.560 0.111 -6.383 1.00 0.00 C ATOM 456 O VAL A 31 3.571 0.267 -7.066 1.00 0.00 O ATOM 457 CB VAL A 31 2.795 -1.318 -4.282 1.00 0.00 C ATOM 458 CG1 VAL A 31 4.324 -1.353 -4.256 1.00 0.00 C ATOM 459 CG2 VAL A 31 2.258 -0.161 -3.437 1.00 0.00 C ATOM 0 H VAL A 31 3.639 -2.015 -7.103 1.00 0.00 H new ATOM 0 HA VAL A 31 1.189 -1.348 -5.663 1.00 0.00 H new ATOM 0 HB VAL A 31 2.432 -2.248 -3.845 1.00 0.00 H new ATOM 0 HG11 VAL A 31 4.669 -1.411 -3.224 1.00 0.00 H new ATOM 0 HG12 VAL A 31 4.677 -2.225 -4.806 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.717 -0.448 -4.720 1.00 0.00 H new ATOM 0 HG21 VAL A 31 2.645 -0.242 -2.421 1.00 0.00 H new ATOM 0 HG22 VAL A 31 2.577 0.786 -3.872 1.00 0.00 H new ATOM 0 HG23 VAL A 31 1.169 -0.201 -3.415 1.00 0.00 H new ATOM 469 N LYS A 32 1.652 1.050 -6.160 1.00 0.00 N ATOM 470 CA LYS A 32 1.795 2.379 -6.729 1.00 0.00 C ATOM 471 C LYS A 32 1.013 3.381 -5.877 1.00 0.00 C ATOM 472 O LYS A 32 0.191 2.990 -5.050 1.00 0.00 O ATOM 473 CB LYS A 32 1.390 2.377 -8.204 1.00 0.00 C ATOM 474 CG LYS A 32 2.083 3.509 -8.965 1.00 0.00 C ATOM 475 CD LYS A 32 3.600 3.447 -8.778 1.00 0.00 C ATOM 476 CE LYS A 32 4.326 4.023 -9.996 1.00 0.00 C ATOM 477 NZ LYS A 32 5.442 4.897 -9.568 1.00 0.00 N ATOM 0 H LYS A 32 0.815 0.917 -5.593 1.00 0.00 H new ATOM 0 HA LYS A 32 2.839 2.691 -6.710 1.00 0.00 H new ATOM 0 HB2 LYS A 32 1.650 1.419 -8.655 1.00 0.00 H new ATOM 0 HB3 LYS A 32 0.309 2.486 -8.288 1.00 0.00 H new ATOM 0 HG2 LYS A 32 1.841 3.441 -10.026 1.00 0.00 H new ATOM 0 HG3 LYS A 32 1.709 4.471 -8.614 1.00 0.00 H new ATOM 0 HD2 LYS A 32 3.883 4.004 -7.885 1.00 0.00 H new ATOM 0 HD3 LYS A 32 3.909 2.414 -8.621 1.00 0.00 H new ATOM 0 HE2 LYS A 32 4.708 3.212 -10.616 1.00 0.00 H new ATOM 0 HE3 LYS A 32 3.626 4.591 -10.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 5.924 5.280 -10.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 5.069 5.681 -8.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 6.118 4.345 -9.002 1.00 0.00 H new ATOM 491 N VAL A 33 1.296 4.655 -6.109 1.00 0.00 N ATOM 492 CA VAL A 33 0.629 5.715 -5.373 1.00 0.00 C ATOM 493 C VAL A 33 0.316 6.872 -6.325 1.00 0.00 C ATOM 494 O VAL A 33 1.025 7.079 -7.309 1.00 0.00 O ATOM 495 CB VAL A 33 1.484 6.140 -4.177 1.00 0.00 C ATOM 496 CG1 VAL A 33 1.065 7.520 -3.667 1.00 0.00 C ATOM 497 CG2 VAL A 33 1.417 5.099 -3.059 1.00 0.00 C ATOM 0 H VAL A 33 1.978 4.976 -6.796 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.319 5.361 -4.968 1.00 0.00 H new ATOM 0 HB VAL A 33 2.519 6.207 -4.511 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.688 7.798 -2.817 1.00 0.00 H new ATOM 0 HG12 VAL A 33 1.188 8.255 -4.463 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.020 7.492 -3.357 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.033 5.425 -2.221 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.385 4.986 -2.728 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.786 4.143 -3.430 1.00 0.00 H new ATOM 507 N GLN A 34 -0.746 7.594 -5.999 1.00 0.00 N ATOM 508 CA GLN A 34 -1.161 8.724 -6.813 1.00 0.00 C ATOM 509 C GLN A 34 -1.359 9.963 -5.939 1.00 0.00 C ATOM 510 O GLN A 34 -2.337 10.056 -5.200 1.00 0.00 O ATOM 511 CB GLN A 34 -2.433 8.397 -7.597 1.00 0.00 C ATOM 512 CG GLN A 34 -2.157 7.353 -8.681 1.00 0.00 C ATOM 513 CD GLN A 34 -2.144 5.941 -8.093 1.00 0.00 C ATOM 514 OE1 GLN A 34 -3.025 5.542 -7.350 1.00 0.00 O ATOM 515 NE2 GLN A 34 -1.097 5.209 -8.465 1.00 0.00 N ATOM 0 H GLN A 34 -1.332 7.419 -5.182 1.00 0.00 H new ATOM 0 HA GLN A 34 -0.373 8.935 -7.536 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -3.199 8.025 -6.916 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -2.826 9.305 -8.054 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -2.919 7.420 -9.458 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -1.198 7.562 -9.156 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -0.395 5.604 -9.090 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -0.997 4.253 -8.125 1.00 0.00 H new ATOM 524 N LEU A 35 -0.413 10.885 -6.052 1.00 0.00 N ATOM 525 CA LEU A 35 -0.472 12.115 -5.281 1.00 0.00 C ATOM 526 C LEU A 35 -1.687 12.933 -5.724 1.00 0.00 C ATOM 527 O LEU A 35 -2.238 12.700 -6.798 1.00 0.00 O ATOM 528 CB LEU A 35 0.852 12.876 -5.384 1.00 0.00 C ATOM 529 CG LEU A 35 1.060 14.002 -4.370 1.00 0.00 C ATOM 530 CD1 LEU A 35 0.803 13.510 -2.944 1.00 0.00 C ATOM 531 CD2 LEU A 35 2.449 14.625 -4.519 1.00 0.00 C ATOM 0 H LEU A 35 0.398 10.804 -6.666 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.605 11.894 -4.222 1.00 0.00 H new ATOM 0 HB2 LEU A 35 1.668 12.161 -5.276 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.928 13.298 -6.386 1.00 0.00 H new ATOM 0 HG LEU A 35 0.332 14.786 -4.577 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.958 14.330 -2.243 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.223 13.151 -2.862 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.491 12.698 -2.710 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.570 15.423 -3.786 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.210 13.862 -4.354 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.558 15.035 -5.523 1.00 0.00 H new ATOM 543 N LYS A 36 -2.070 13.873 -4.872 1.00 0.00 N ATOM 544 CA LYS A 36 -3.210 14.726 -5.162 1.00 0.00 C ATOM 545 C LYS A 36 -4.450 13.857 -5.376 1.00 0.00 C ATOM 546 O LYS A 36 -5.454 14.323 -5.914 1.00 0.00 O ATOM 547 CB LYS A 36 -2.899 15.654 -6.338 1.00 0.00 C ATOM 548 CG LYS A 36 -1.774 16.629 -5.985 1.00 0.00 C ATOM 549 CD LYS A 36 -0.923 16.953 -7.215 1.00 0.00 C ATOM 550 CE LYS A 36 -1.017 18.438 -7.571 1.00 0.00 C ATOM 551 NZ LYS A 36 -2.144 18.678 -8.499 1.00 0.00 N ATOM 0 H LYS A 36 -1.611 14.063 -3.981 1.00 0.00 H new ATOM 0 HA LYS A 36 -3.421 15.381 -4.316 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -2.612 15.062 -7.207 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -3.795 16.211 -6.613 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.198 17.548 -5.579 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -1.145 16.197 -5.206 1.00 0.00 H new ATOM 0 HD2 LYS A 36 0.116 16.686 -7.023 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -1.256 16.351 -8.061 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -1.153 19.027 -6.664 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -0.085 18.768 -8.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -2.194 19.691 -8.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -1.998 18.130 -9.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -3.034 18.382 -8.049 1.00 0.00 H new ATOM 565 N LYS A 37 -4.341 12.609 -4.944 1.00 0.00 N ATOM 566 CA LYS A 37 -5.441 11.670 -5.082 1.00 0.00 C ATOM 567 C LYS A 37 -5.845 11.158 -3.698 1.00 0.00 C ATOM 568 O LYS A 37 -7.027 10.949 -3.430 1.00 0.00 O ATOM 569 CB LYS A 37 -5.077 10.558 -6.067 1.00 0.00 C ATOM 570 CG LYS A 37 -6.228 10.286 -7.038 1.00 0.00 C ATOM 571 CD LYS A 37 -5.710 9.701 -8.353 1.00 0.00 C ATOM 572 CE LYS A 37 -6.862 9.424 -9.321 1.00 0.00 C ATOM 573 NZ LYS A 37 -6.381 9.454 -10.720 1.00 0.00 N ATOM 0 H LYS A 37 -3.507 12.226 -4.498 1.00 0.00 H new ATOM 0 HA LYS A 37 -6.314 12.166 -5.507 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -4.184 10.840 -6.626 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -4.836 9.647 -5.519 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -6.937 9.594 -6.583 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -6.768 11.212 -7.236 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -5.004 10.394 -8.811 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -5.166 8.777 -8.155 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -7.303 8.451 -9.102 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -7.647 10.168 -9.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -7.175 9.264 -11.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -5.981 10.391 -10.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -5.648 8.728 -10.851 1.00 0.00 H new ATOM 587 N GLU A 38 -4.840 10.970 -2.855 1.00 0.00 N ATOM 588 CA GLU A 38 -5.075 10.486 -1.506 1.00 0.00 C ATOM 589 C GLU A 38 -5.500 9.017 -1.535 1.00 0.00 C ATOM 590 O GLU A 38 -6.338 8.593 -0.741 1.00 0.00 O ATOM 591 CB GLU A 38 -6.119 11.345 -0.789 1.00 0.00 C ATOM 592 CG GLU A 38 -5.452 12.343 0.159 1.00 0.00 C ATOM 593 CD GLU A 38 -6.355 12.651 1.355 1.00 0.00 C ATOM 594 OE1 GLU A 38 -7.578 12.436 1.213 1.00 0.00 O ATOM 595 OE2 GLU A 38 -5.801 13.095 2.384 1.00 0.00 O ATOM 0 H GLU A 38 -3.861 11.144 -3.081 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.143 10.563 -0.946 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -6.720 11.882 -1.523 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.799 10.704 -0.228 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -4.503 11.938 0.510 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -5.226 13.265 -0.378 1.00 0.00 H new ATOM 602 N LYS A 39 -4.903 8.279 -2.460 1.00 0.00 N ATOM 603 CA LYS A 39 -5.209 6.866 -2.603 1.00 0.00 C ATOM 604 C LYS A 39 -3.980 6.135 -3.146 1.00 0.00 C ATOM 605 O LYS A 39 -3.223 6.691 -3.941 1.00 0.00 O ATOM 606 CB LYS A 39 -6.465 6.674 -3.455 1.00 0.00 C ATOM 607 CG LYS A 39 -6.809 7.953 -4.222 1.00 0.00 C ATOM 608 CD LYS A 39 -8.212 7.870 -4.826 1.00 0.00 C ATOM 609 CE LYS A 39 -8.356 6.628 -5.708 1.00 0.00 C ATOM 610 NZ LYS A 39 -7.612 6.802 -6.975 1.00 0.00 N ATOM 0 H LYS A 39 -4.209 8.634 -3.118 1.00 0.00 H new ATOM 0 HA LYS A 39 -5.439 6.426 -1.633 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -6.310 5.855 -4.157 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -7.302 6.392 -2.816 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -6.748 8.811 -3.552 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -6.077 8.114 -5.014 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -8.954 7.842 -4.028 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -8.412 8.765 -5.416 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -7.982 5.753 -5.177 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -9.409 6.446 -5.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -7.226 5.886 -7.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -8.254 7.167 -7.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -6.833 7.475 -6.830 1.00 0.00 H new ATOM 624 N ALA A 40 -3.819 4.899 -2.696 1.00 0.00 N ATOM 625 CA ALA A 40 -2.694 4.086 -3.127 1.00 0.00 C ATOM 626 C ALA A 40 -3.214 2.760 -3.685 1.00 0.00 C ATOM 627 O ALA A 40 -4.210 2.225 -3.199 1.00 0.00 O ATOM 628 CB ALA A 40 -1.730 3.888 -1.956 1.00 0.00 C ATOM 0 H ALA A 40 -4.449 4.441 -2.037 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.142 4.585 -3.923 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -0.886 3.278 -2.279 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -1.368 4.858 -1.615 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -2.248 3.387 -1.139 1.00 0.00 H new ATOM 634 N VAL A 41 -2.517 2.268 -4.698 1.00 0.00 N ATOM 635 CA VAL A 41 -2.895 1.014 -5.328 1.00 0.00 C ATOM 636 C VAL A 41 -1.861 -0.059 -4.980 1.00 0.00 C ATOM 637 O VAL A 41 -0.680 0.242 -4.814 1.00 0.00 O ATOM 638 CB VAL A 41 -3.064 1.216 -6.835 1.00 0.00 C ATOM 639 CG1 VAL A 41 -1.717 1.498 -7.505 1.00 0.00 C ATOM 640 CG2 VAL A 41 -3.752 0.009 -7.476 1.00 0.00 C ATOM 0 H VAL A 41 -1.692 2.715 -5.099 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.858 0.671 -4.950 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.703 2.086 -6.987 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.865 1.638 -8.576 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -1.280 2.401 -7.078 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -1.045 0.656 -7.339 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.860 0.178 -8.547 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.150 -0.884 -7.309 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.737 -0.128 -7.029 1.00 0.00 H new ATOM 650 N VAL A 42 -2.343 -1.289 -4.881 1.00 0.00 N ATOM 651 CA VAL A 42 -1.476 -2.409 -4.556 1.00 0.00 C ATOM 652 C VAL A 42 -1.965 -3.658 -5.292 1.00 0.00 C ATOM 653 O VAL A 42 -3.159 -3.804 -5.548 1.00 0.00 O ATOM 654 CB VAL A 42 -1.410 -2.596 -3.039 1.00 0.00 C ATOM 655 CG1 VAL A 42 -0.620 -3.855 -2.676 1.00 0.00 C ATOM 656 CG2 VAL A 42 -0.816 -1.361 -2.359 1.00 0.00 C ATOM 0 H VAL A 42 -3.323 -1.535 -5.020 1.00 0.00 H new ATOM 0 HA VAL A 42 -0.457 -2.213 -4.891 1.00 0.00 H new ATOM 0 HB VAL A 42 -2.429 -2.722 -2.673 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -0.588 -3.965 -1.592 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -1.104 -4.727 -3.115 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.396 -3.771 -3.062 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.781 -1.521 -1.281 1.00 0.00 H new ATOM 0 HG22 VAL A 42 0.193 -1.189 -2.734 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.437 -0.492 -2.577 1.00 0.00 H new ATOM 666 N LYS A 43 -1.017 -4.526 -5.612 1.00 0.00 N ATOM 667 CA LYS A 43 -1.336 -5.758 -6.313 1.00 0.00 C ATOM 668 C LYS A 43 -0.833 -6.950 -5.497 1.00 0.00 C ATOM 669 O LYS A 43 0.115 -7.625 -5.896 1.00 0.00 O ATOM 670 CB LYS A 43 -0.790 -5.717 -7.742 1.00 0.00 C ATOM 671 CG LYS A 43 -1.442 -6.797 -8.609 1.00 0.00 C ATOM 672 CD LYS A 43 -1.029 -6.647 -10.074 1.00 0.00 C ATOM 673 CE LYS A 43 -1.899 -5.610 -10.786 1.00 0.00 C ATOM 674 NZ LYS A 43 -2.000 -5.921 -12.230 1.00 0.00 N ATOM 0 H LYS A 43 -0.027 -4.401 -5.399 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.416 -5.872 -6.411 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -0.975 -4.735 -8.178 1.00 0.00 H new ATOM 0 HB3 LYS A 43 0.290 -5.861 -7.727 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -1.154 -7.783 -8.245 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.527 -6.730 -8.525 1.00 0.00 H new ATOM 0 HD2 LYS A 43 0.018 -6.350 -10.132 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -1.116 -7.608 -10.580 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -2.894 -5.594 -10.341 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -1.474 -4.616 -10.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -2.594 -5.207 -12.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -1.050 -5.913 -12.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -2.427 -6.861 -12.354 1.00 0.00 H new ATOM 688 N PHE A 44 -1.490 -7.173 -4.368 1.00 0.00 N ATOM 689 CA PHE A 44 -1.121 -8.271 -3.492 1.00 0.00 C ATOM 690 C PHE A 44 -2.043 -9.474 -3.703 1.00 0.00 C ATOM 691 O PHE A 44 -2.815 -9.508 -4.660 1.00 0.00 O ATOM 692 CB PHE A 44 -1.278 -7.770 -2.055 1.00 0.00 C ATOM 693 CG PHE A 44 -2.711 -7.384 -1.684 1.00 0.00 C ATOM 694 CD1 PHE A 44 -3.580 -8.335 -1.247 1.00 0.00 C ATOM 695 CD2 PHE A 44 -3.117 -6.091 -1.790 1.00 0.00 C ATOM 696 CE1 PHE A 44 -4.910 -7.978 -0.902 1.00 0.00 C ATOM 697 CE2 PHE A 44 -4.447 -5.733 -1.446 1.00 0.00 C ATOM 698 CZ PHE A 44 -5.316 -6.684 -1.009 1.00 0.00 C ATOM 0 H PHE A 44 -2.276 -6.611 -4.040 1.00 0.00 H new ATOM 0 HA PHE A 44 -0.100 -8.588 -3.703 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -0.933 -8.545 -1.371 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -0.630 -6.905 -1.910 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -3.258 -9.362 -1.162 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -2.427 -5.336 -2.136 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -5.599 -8.733 -0.555 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -4.769 -4.706 -1.531 1.00 0.00 H new ATOM 0 HZ PHE A 44 -6.328 -6.412 -0.747 1.00 0.00 H new ATOM 708 N ASP A 45 -1.930 -10.432 -2.795 1.00 0.00 N ATOM 709 CA ASP A 45 -2.744 -11.634 -2.870 1.00 0.00 C ATOM 710 C ASP A 45 -3.149 -12.059 -1.457 1.00 0.00 C ATOM 711 O ASP A 45 -2.343 -11.994 -0.530 1.00 0.00 O ATOM 712 CB ASP A 45 -1.966 -12.787 -3.506 1.00 0.00 C ATOM 713 CG ASP A 45 -2.830 -13.912 -4.079 1.00 0.00 C ATOM 714 OD1 ASP A 45 -3.983 -13.607 -4.453 1.00 0.00 O ATOM 715 OD2 ASP A 45 -2.318 -15.051 -4.129 1.00 0.00 O ATOM 0 H ASP A 45 -1.287 -10.401 -2.004 1.00 0.00 H new ATOM 0 HA ASP A 45 -3.620 -11.411 -3.479 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -1.341 -12.387 -4.304 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -1.296 -13.209 -2.758 1.00 0.00 H new ATOM 720 N GLU A 46 -4.398 -12.485 -1.337 1.00 0.00 N ATOM 721 CA GLU A 46 -4.920 -12.921 -0.053 1.00 0.00 C ATOM 722 C GLU A 46 -4.275 -14.246 0.360 1.00 0.00 C ATOM 723 O GLU A 46 -4.402 -14.672 1.507 1.00 0.00 O ATOM 724 CB GLU A 46 -6.444 -13.042 -0.093 1.00 0.00 C ATOM 725 CG GLU A 46 -7.059 -12.667 1.257 1.00 0.00 C ATOM 726 CD GLU A 46 -8.315 -13.496 1.536 1.00 0.00 C ATOM 727 OE1 GLU A 46 -9.210 -13.482 0.664 1.00 0.00 O ATOM 728 OE2 GLU A 46 -8.352 -14.125 2.616 1.00 0.00 O ATOM 0 H GLU A 46 -5.064 -12.537 -2.108 1.00 0.00 H new ATOM 0 HA GLU A 46 -4.668 -12.168 0.694 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -6.844 -12.393 -0.872 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -6.725 -14.062 -0.354 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -6.329 -12.828 2.050 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -7.310 -11.606 1.264 1.00 0.00 H new ATOM 735 N ALA A 47 -3.598 -14.862 -0.598 1.00 0.00 N ATOM 736 CA ALA A 47 -2.934 -16.130 -0.349 1.00 0.00 C ATOM 737 C ALA A 47 -1.563 -15.868 0.276 1.00 0.00 C ATOM 738 O ALA A 47 -0.782 -16.797 0.481 1.00 0.00 O ATOM 739 CB ALA A 47 -2.838 -16.921 -1.655 1.00 0.00 C ATOM 0 H ALA A 47 -3.495 -14.506 -1.548 1.00 0.00 H new ATOM 0 HA ALA A 47 -3.508 -16.732 0.355 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -2.340 -17.872 -1.468 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -3.840 -17.106 -2.043 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -2.266 -16.349 -2.386 1.00 0.00 H new ATOM 745 N ASN A 48 -1.311 -14.599 0.563 1.00 0.00 N ATOM 746 CA ASN A 48 -0.047 -14.203 1.161 1.00 0.00 C ATOM 747 C ASN A 48 -0.305 -13.143 2.234 1.00 0.00 C ATOM 748 O ASN A 48 0.092 -13.311 3.385 1.00 0.00 O ATOM 749 CB ASN A 48 0.892 -13.599 0.115 1.00 0.00 C ATOM 750 CG ASN A 48 2.242 -14.319 0.109 1.00 0.00 C ATOM 751 OD1 ASN A 48 3.199 -13.904 0.741 1.00 0.00 O ATOM 752 ND2 ASN A 48 2.265 -15.418 -0.639 1.00 0.00 N ATOM 0 H ASN A 48 -1.961 -13.832 0.392 1.00 0.00 H new ATOM 0 HA ASN A 48 0.416 -15.091 1.590 1.00 0.00 H new ATOM 0 HB2 ASN A 48 0.435 -13.668 -0.872 1.00 0.00 H new ATOM 0 HB3 ASN A 48 1.042 -12.540 0.324 1.00 0.00 H new ATOM 0 HD21 ASN A 48 3.120 -15.969 -0.709 1.00 0.00 H new ATOM 0 HD22 ASN A 48 1.427 -15.710 -1.143 1.00 0.00 H new ATOM 759 N VAL A 49 -0.970 -12.075 1.817 1.00 0.00 N ATOM 760 CA VAL A 49 -1.286 -10.988 2.728 1.00 0.00 C ATOM 761 C VAL A 49 -2.630 -10.373 2.334 1.00 0.00 C ATOM 762 O VAL A 49 -3.109 -10.581 1.220 1.00 0.00 O ATOM 763 CB VAL A 49 -0.144 -9.970 2.743 1.00 0.00 C ATOM 764 CG1 VAL A 49 -0.596 -8.648 3.367 1.00 0.00 C ATOM 765 CG2 VAL A 49 1.080 -10.530 3.472 1.00 0.00 C ATOM 0 H VAL A 49 -1.298 -11.940 0.861 1.00 0.00 H new ATOM 0 HA VAL A 49 -1.385 -11.360 3.748 1.00 0.00 H new ATOM 0 HB VAL A 49 0.142 -9.772 1.710 1.00 0.00 H new ATOM 0 HG11 VAL A 49 0.235 -7.942 3.365 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.423 -8.237 2.788 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -0.922 -8.822 4.392 1.00 0.00 H new ATOM 0 HG21 VAL A 49 1.877 -9.787 3.468 1.00 0.00 H new ATOM 0 HG22 VAL A 49 0.812 -10.770 4.501 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.423 -11.433 2.966 1.00 0.00 H new ATOM 775 N GLN A 50 -3.200 -9.627 3.269 1.00 0.00 N ATOM 776 CA GLN A 50 -4.479 -8.980 3.033 1.00 0.00 C ATOM 777 C GLN A 50 -4.310 -7.460 3.017 1.00 0.00 C ATOM 778 O GLN A 50 -3.338 -6.934 3.557 1.00 0.00 O ATOM 779 CB GLN A 50 -5.510 -9.406 4.081 1.00 0.00 C ATOM 780 CG GLN A 50 -6.002 -10.831 3.819 1.00 0.00 C ATOM 781 CD GLN A 50 -7.321 -11.098 4.547 1.00 0.00 C ATOM 782 OE1 GLN A 50 -8.401 -10.990 3.990 1.00 0.00 O ATOM 783 NE2 GLN A 50 -7.173 -11.452 5.821 1.00 0.00 N ATOM 0 H GLN A 50 -2.799 -9.456 4.191 1.00 0.00 H new ATOM 0 HA GLN A 50 -4.849 -9.295 2.057 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -5.068 -9.347 5.076 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -6.355 -8.717 4.066 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -6.137 -10.982 2.748 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -5.249 -11.546 4.150 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -6.239 -11.524 6.225 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -7.993 -11.652 6.393 1.00 0.00 H new ATOM 792 N ALA A 51 -5.271 -6.796 2.390 1.00 0.00 N ATOM 793 CA ALA A 51 -5.241 -5.347 2.296 1.00 0.00 C ATOM 794 C ALA A 51 -5.159 -4.750 3.703 1.00 0.00 C ATOM 795 O ALA A 51 -4.466 -3.758 3.921 1.00 0.00 O ATOM 796 CB ALA A 51 -6.470 -4.859 1.526 1.00 0.00 C ATOM 0 H ALA A 51 -6.075 -7.236 1.942 1.00 0.00 H new ATOM 0 HA ALA A 51 -4.360 -5.017 1.746 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -6.447 -3.772 1.456 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -6.465 -5.288 0.524 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -7.374 -5.170 2.049 1.00 0.00 H new ATOM 802 N THR A 52 -5.877 -5.380 4.621 1.00 0.00 N ATOM 803 CA THR A 52 -5.895 -4.924 6.000 1.00 0.00 C ATOM 804 C THR A 52 -4.468 -4.784 6.534 1.00 0.00 C ATOM 805 O THR A 52 -4.134 -3.784 7.169 1.00 0.00 O ATOM 806 CB THR A 52 -6.753 -5.898 6.809 1.00 0.00 C ATOM 807 OG1 THR A 52 -7.222 -5.119 7.906 1.00 0.00 O ATOM 808 CG2 THR A 52 -5.923 -7.004 7.465 1.00 0.00 C ATOM 0 H THR A 52 -6.451 -6.203 4.436 1.00 0.00 H new ATOM 0 HA THR A 52 -6.339 -3.932 6.082 1.00 0.00 H new ATOM 0 HB THR A 52 -7.505 -6.346 6.159 1.00 0.00 H new ATOM 0 HG1 THR A 52 -7.789 -5.673 8.482 1.00 0.00 H new ATOM 0 HG21 THR A 52 -6.580 -7.668 8.027 1.00 0.00 H new ATOM 0 HG22 THR A 52 -5.404 -7.574 6.695 1.00 0.00 H new ATOM 0 HG23 THR A 52 -5.193 -6.559 8.141 1.00 0.00 H new ATOM 816 N GLU A 53 -3.664 -5.799 6.256 1.00 0.00 N ATOM 817 CA GLU A 53 -2.280 -5.802 6.700 1.00 0.00 C ATOM 818 C GLU A 53 -1.496 -4.692 5.998 1.00 0.00 C ATOM 819 O GLU A 53 -0.654 -4.038 6.612 1.00 0.00 O ATOM 820 CB GLU A 53 -1.631 -7.167 6.463 1.00 0.00 C ATOM 821 CG GLU A 53 -0.967 -7.687 7.739 1.00 0.00 C ATOM 822 CD GLU A 53 0.519 -7.324 7.771 1.00 0.00 C ATOM 823 OE1 GLU A 53 1.287 -8.013 7.065 1.00 0.00 O ATOM 824 OE2 GLU A 53 0.854 -6.367 8.501 1.00 0.00 O ATOM 0 H GLU A 53 -3.944 -6.626 5.728 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.262 -5.610 7.773 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -2.385 -7.878 6.125 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -0.889 -7.088 5.669 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -1.467 -7.265 8.611 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -1.082 -8.769 7.798 1.00 0.00 H new ATOM 831 N ILE A 54 -1.799 -4.513 4.720 1.00 0.00 N ATOM 832 CA ILE A 54 -1.132 -3.494 3.928 1.00 0.00 C ATOM 833 C ILE A 54 -1.445 -2.115 4.512 1.00 0.00 C ATOM 834 O ILE A 54 -0.588 -1.233 4.525 1.00 0.00 O ATOM 835 CB ILE A 54 -1.504 -3.635 2.451 1.00 0.00 C ATOM 836 CG1 ILE A 54 -1.075 -4.999 1.905 1.00 0.00 C ATOM 837 CG2 ILE A 54 -0.928 -2.481 1.628 1.00 0.00 C ATOM 838 CD1 ILE A 54 -2.127 -5.561 0.946 1.00 0.00 C ATOM 0 H ILE A 54 -2.498 -5.057 4.214 1.00 0.00 H new ATOM 0 HA ILE A 54 -0.051 -3.622 3.974 1.00 0.00 H new ATOM 0 HB ILE A 54 -2.589 -3.581 2.365 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -0.120 -4.904 1.388 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -0.922 -5.694 2.731 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -1.207 -2.605 0.582 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -1.324 -1.536 1.999 1.00 0.00 H new ATOM 0 HG23 ILE A 54 0.158 -2.478 1.716 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -1.798 -6.531 0.572 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -3.074 -5.678 1.473 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -2.259 -4.876 0.109 1.00 0.00 H new ATOM 850 N CYS A 55 -2.676 -1.972 4.981 1.00 0.00 N ATOM 851 CA CYS A 55 -3.113 -0.715 5.565 1.00 0.00 C ATOM 852 C CYS A 55 -2.244 -0.427 6.791 1.00 0.00 C ATOM 853 O CYS A 55 -1.819 0.708 7.003 1.00 0.00 O ATOM 854 CB CYS A 55 -4.602 -0.740 5.914 1.00 0.00 C ATOM 855 SG CYS A 55 -5.505 0.483 4.895 1.00 0.00 S ATOM 0 H CYS A 55 -3.384 -2.706 4.968 1.00 0.00 H new ATOM 0 HA CYS A 55 -2.992 0.088 4.838 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -5.007 -1.737 5.744 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -4.740 -0.517 6.972 1.00 0.00 H new ATOM 0 HG CYS A 55 -6.721 0.605 5.339 1.00 0.00 H new ATOM 861 N GLN A 56 -2.007 -1.474 7.567 1.00 0.00 N ATOM 862 CA GLN A 56 -1.196 -1.349 8.766 1.00 0.00 C ATOM 863 C GLN A 56 0.180 -0.777 8.420 1.00 0.00 C ATOM 864 O GLN A 56 0.655 0.149 9.076 1.00 0.00 O ATOM 865 CB GLN A 56 -1.067 -2.694 9.484 1.00 0.00 C ATOM 866 CG GLN A 56 -1.249 -2.529 10.994 1.00 0.00 C ATOM 867 CD GLN A 56 -0.147 -1.647 11.587 1.00 0.00 C ATOM 868 OE1 GLN A 56 -0.176 -0.431 11.498 1.00 0.00 O ATOM 869 NE2 GLN A 56 0.822 -2.326 12.194 1.00 0.00 N ATOM 0 H GLN A 56 -2.363 -2.413 7.389 1.00 0.00 H new ATOM 0 HA GLN A 56 -1.693 -0.658 9.447 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -1.812 -3.389 9.098 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -0.089 -3.128 9.277 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -2.224 -2.087 11.200 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -1.235 -3.507 11.475 1.00 0.00 H new ATOM 0 HE21 GLN A 56 0.784 -3.345 12.232 1.00 0.00 H new ATOM 0 HE22 GLN A 56 1.603 -1.828 12.621 1.00 0.00 H new ATOM 878 N ALA A 57 0.782 -1.353 7.389 1.00 0.00 N ATOM 879 CA ALA A 57 2.094 -0.912 6.948 1.00 0.00 C ATOM 880 C ALA A 57 2.091 0.610 6.791 1.00 0.00 C ATOM 881 O ALA A 57 3.090 1.269 7.073 1.00 0.00 O ATOM 882 CB ALA A 57 2.464 -1.631 5.649 1.00 0.00 C ATOM 0 H ALA A 57 0.385 -2.121 6.847 1.00 0.00 H new ATOM 0 HA ALA A 57 2.852 -1.165 7.689 1.00 0.00 H new ATOM 0 HB1 ALA A 57 3.448 -1.300 5.318 1.00 0.00 H new ATOM 0 HB2 ALA A 57 2.482 -2.707 5.821 1.00 0.00 H new ATOM 0 HB3 ALA A 57 1.726 -1.398 4.881 1.00 0.00 H new ATOM 888 N ILE A 58 0.955 1.124 6.343 1.00 0.00 N ATOM 889 CA ILE A 58 0.808 2.556 6.146 1.00 0.00 C ATOM 890 C ILE A 58 0.757 3.252 7.508 1.00 0.00 C ATOM 891 O ILE A 58 1.650 4.027 7.846 1.00 0.00 O ATOM 892 CB ILE A 58 -0.402 2.853 5.258 1.00 0.00 C ATOM 893 CG1 ILE A 58 -0.186 2.321 3.840 1.00 0.00 C ATOM 894 CG2 ILE A 58 -0.734 4.347 5.266 1.00 0.00 C ATOM 895 CD1 ILE A 58 -1.520 1.982 3.172 1.00 0.00 C ATOM 0 H ILE A 58 0.128 0.574 6.111 1.00 0.00 H new ATOM 0 HA ILE A 58 1.671 2.958 5.615 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.265 2.329 5.670 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.344 3.065 3.245 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.444 1.432 3.873 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -1.598 4.531 4.627 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.961 4.664 6.284 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.120 4.912 4.893 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -1.338 1.606 2.165 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -2.036 1.220 3.756 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -2.138 2.878 3.118 1.00 0.00 H new ATOM 907 N ASN A 59 -0.297 2.949 8.252 1.00 0.00 N ATOM 908 CA ASN A 59 -0.476 3.536 9.569 1.00 0.00 C ATOM 909 C ASN A 59 0.803 3.343 10.386 1.00 0.00 C ATOM 910 O ASN A 59 1.090 4.126 11.291 1.00 0.00 O ATOM 911 CB ASN A 59 -1.624 2.860 10.322 1.00 0.00 C ATOM 912 CG ASN A 59 -2.929 3.637 10.143 1.00 0.00 C ATOM 913 OD1 ASN A 59 -2.976 4.689 9.526 1.00 0.00 O ATOM 914 ND2 ASN A 59 -3.983 3.063 10.716 1.00 0.00 N ATOM 0 H ASN A 59 -1.035 2.305 7.968 1.00 0.00 H new ATOM 0 HA ASN A 59 -0.704 4.594 9.439 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -1.751 1.840 9.959 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -1.379 2.793 11.382 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -4.901 3.504 10.654 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -3.874 2.182 11.218 1.00 0.00 H new ATOM 921 N GLU A 60 1.538 2.297 10.038 1.00 0.00 N ATOM 922 CA GLU A 60 2.780 1.992 10.728 1.00 0.00 C ATOM 923 C GLU A 60 3.808 3.099 10.486 1.00 0.00 C ATOM 924 O GLU A 60 4.858 3.127 11.126 1.00 0.00 O ATOM 925 CB GLU A 60 3.328 0.631 10.295 1.00 0.00 C ATOM 926 CG GLU A 60 4.341 0.098 11.310 1.00 0.00 C ATOM 927 CD GLU A 60 5.117 -1.091 10.740 1.00 0.00 C ATOM 928 OE1 GLU A 60 6.169 -0.835 10.116 1.00 0.00 O ATOM 929 OE2 GLU A 60 4.640 -2.228 10.941 1.00 0.00 O ATOM 0 H GLU A 60 1.297 1.650 9.287 1.00 0.00 H new ATOM 0 HA GLU A 60 2.575 1.941 11.797 1.00 0.00 H new ATOM 0 HB2 GLU A 60 2.507 -0.078 10.189 1.00 0.00 H new ATOM 0 HB3 GLU A 60 3.801 0.720 9.317 1.00 0.00 H new ATOM 0 HG2 GLU A 60 5.036 0.891 11.586 1.00 0.00 H new ATOM 0 HG3 GLU A 60 3.824 -0.204 12.221 1.00 0.00 H new ATOM 936 N LEU A 61 3.470 3.984 9.559 1.00 0.00 N ATOM 937 CA LEU A 61 4.350 5.090 9.225 1.00 0.00 C ATOM 938 C LEU A 61 4.043 6.276 10.141 1.00 0.00 C ATOM 939 O LEU A 61 4.762 6.518 11.110 1.00 0.00 O ATOM 940 CB LEU A 61 4.250 5.422 7.734 1.00 0.00 C ATOM 941 CG LEU A 61 4.444 4.250 6.771 1.00 0.00 C ATOM 942 CD1 LEU A 61 4.763 4.747 5.360 1.00 0.00 C ATOM 943 CD2 LEU A 61 5.508 3.282 7.292 1.00 0.00 C ATOM 0 H LEU A 61 2.599 3.957 9.029 1.00 0.00 H new ATOM 0 HA LEU A 61 5.390 4.815 9.398 1.00 0.00 H new ATOM 0 HB2 LEU A 61 3.271 5.863 7.545 1.00 0.00 H new ATOM 0 HB3 LEU A 61 4.993 6.184 7.501 1.00 0.00 H new ATOM 0 HG LEU A 61 3.507 3.697 6.713 1.00 0.00 H new ATOM 0 HD11 LEU A 61 4.896 3.894 4.695 1.00 0.00 H new ATOM 0 HD12 LEU A 61 3.941 5.365 4.997 1.00 0.00 H new ATOM 0 HD13 LEU A 61 5.679 5.337 5.381 1.00 0.00 H new ATOM 0 HD21 LEU A 61 5.626 2.458 6.588 1.00 0.00 H new ATOM 0 HD22 LEU A 61 6.457 3.807 7.398 1.00 0.00 H new ATOM 0 HD23 LEU A 61 5.200 2.890 8.261 1.00 0.00 H new ATOM 955 N GLY A 62 2.975 6.983 9.803 1.00 0.00 N ATOM 956 CA GLY A 62 2.564 8.138 10.583 1.00 0.00 C ATOM 957 C GLY A 62 1.480 8.934 9.855 1.00 0.00 C ATOM 958 O GLY A 62 1.485 10.164 9.881 1.00 0.00 O ATOM 0 H GLY A 62 2.381 6.778 8.999 1.00 0.00 H new ATOM 0 HA2 GLY A 62 2.190 7.811 11.554 1.00 0.00 H new ATOM 0 HA3 GLY A 62 3.425 8.779 10.772 1.00 0.00 H new ATOM 962 N TYR A 63 0.577 8.201 9.222 1.00 0.00 N ATOM 963 CA TYR A 63 -0.512 8.823 8.488 1.00 0.00 C ATOM 964 C TYR A 63 -1.789 7.987 8.587 1.00 0.00 C ATOM 965 O TYR A 63 -1.840 7.012 9.335 1.00 0.00 O ATOM 966 CB TYR A 63 -0.061 8.872 7.026 1.00 0.00 C ATOM 967 CG TYR A 63 1.458 8.903 6.844 1.00 0.00 C ATOM 968 CD1 TYR A 63 2.182 9.997 7.274 1.00 0.00 C ATOM 969 CD2 TYR A 63 2.104 7.838 6.251 1.00 0.00 C ATOM 970 CE1 TYR A 63 3.611 10.027 7.103 1.00 0.00 C ATOM 971 CE2 TYR A 63 3.533 7.868 6.080 1.00 0.00 C ATOM 972 CZ TYR A 63 4.216 8.961 6.514 1.00 0.00 C ATOM 973 OH TYR A 63 5.566 8.989 6.352 1.00 0.00 O ATOM 0 H TYR A 63 0.577 7.181 9.202 1.00 0.00 H new ATOM 0 HA TYR A 63 -0.731 9.811 8.892 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -0.462 8.003 6.504 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -0.491 9.755 6.553 1.00 0.00 H new ATOM 0 HD1 TYR A 63 1.676 10.830 7.739 1.00 0.00 H new ATOM 0 HD2 TYR A 63 1.538 6.982 5.915 1.00 0.00 H new ATOM 0 HE1 TYR A 63 4.189 10.877 7.435 1.00 0.00 H new ATOM 0 HE2 TYR A 63 4.051 7.041 5.617 1.00 0.00 H new ATOM 0 HH TYR A 63 5.803 9.681 5.700 1.00 0.00 H new ATOM 983 N GLN A 64 -2.790 8.400 7.823 1.00 0.00 N ATOM 984 CA GLN A 64 -4.064 7.701 7.816 1.00 0.00 C ATOM 985 C GLN A 64 -4.212 6.882 6.532 1.00 0.00 C ATOM 986 O GLN A 64 -3.815 7.329 5.457 1.00 0.00 O ATOM 987 CB GLN A 64 -5.227 8.681 7.979 1.00 0.00 C ATOM 988 CG GLN A 64 -6.204 8.198 9.054 1.00 0.00 C ATOM 989 CD GLN A 64 -5.878 8.824 10.411 1.00 0.00 C ATOM 990 OE1 GLN A 64 -5.237 9.858 10.510 1.00 0.00 O ATOM 991 NE2 GLN A 64 -6.353 8.142 11.449 1.00 0.00 N ATOM 0 H GLN A 64 -2.744 9.210 7.205 1.00 0.00 H new ATOM 0 HA GLN A 64 -4.087 7.017 8.665 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -4.843 9.665 8.247 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -5.751 8.791 7.029 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -7.223 8.455 8.766 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -6.159 7.112 9.130 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -6.882 7.283 11.296 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -6.188 8.478 12.398 1.00 0.00 H new ATOM 1000 N ALA A 65 -4.786 5.698 6.687 1.00 0.00 N ATOM 1001 CA ALA A 65 -4.992 4.812 5.553 1.00 0.00 C ATOM 1002 C ALA A 65 -6.296 4.037 5.748 1.00 0.00 C ATOM 1003 O ALA A 65 -6.588 3.571 6.849 1.00 0.00 O ATOM 1004 CB ALA A 65 -3.782 3.889 5.400 1.00 0.00 C ATOM 0 H ALA A 65 -5.115 5.331 7.580 1.00 0.00 H new ATOM 0 HA ALA A 65 -5.084 5.384 4.630 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -3.936 3.225 4.550 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -2.886 4.488 5.235 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -3.660 3.296 6.306 1.00 0.00 H new ATOM 1010 N GLU A 66 -7.047 3.922 4.662 1.00 0.00 N ATOM 1011 CA GLU A 66 -8.314 3.211 4.700 1.00 0.00 C ATOM 1012 C GLU A 66 -8.593 2.552 3.348 1.00 0.00 C ATOM 1013 O GLU A 66 -8.535 3.208 2.309 1.00 0.00 O ATOM 1014 CB GLU A 66 -9.456 4.146 5.100 1.00 0.00 C ATOM 1015 CG GLU A 66 -10.159 4.713 3.864 1.00 0.00 C ATOM 1016 CD GLU A 66 -11.068 5.885 4.240 1.00 0.00 C ATOM 1017 OE1 GLU A 66 -12.030 5.637 4.999 1.00 0.00 O ATOM 1018 OE2 GLU A 66 -10.780 7.003 3.760 1.00 0.00 O ATOM 0 H GLU A 66 -6.802 4.309 3.751 1.00 0.00 H new ATOM 0 HA GLU A 66 -8.247 2.429 5.457 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.175 3.605 5.716 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -9.066 4.963 5.708 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -9.416 5.043 3.138 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -10.748 3.931 3.385 1.00 0.00 H new ATOM 1025 N VAL A 67 -8.889 1.261 3.404 1.00 0.00 N ATOM 1026 CA VAL A 67 -9.177 0.506 2.197 1.00 0.00 C ATOM 1027 C VAL A 67 -10.489 1.005 1.589 1.00 0.00 C ATOM 1028 O VAL A 67 -11.338 1.547 2.296 1.00 0.00 O ATOM 1029 CB VAL A 67 -9.193 -0.992 2.508 1.00 0.00 C ATOM 1030 CG1 VAL A 67 -9.645 -1.800 1.290 1.00 0.00 C ATOM 1031 CG2 VAL A 67 -7.825 -1.464 3.003 1.00 0.00 C ATOM 0 H VAL A 67 -8.935 0.719 4.267 1.00 0.00 H new ATOM 0 HA VAL A 67 -8.395 0.661 1.454 1.00 0.00 H new ATOM 0 HB VAL A 67 -9.914 -1.160 3.308 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -9.647 -2.861 1.538 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -10.650 -1.492 1.002 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -8.960 -1.623 0.461 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -7.864 -2.532 3.217 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -7.075 -1.275 2.235 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -7.560 -0.922 3.911 1.00 0.00 H new ATOM 1041 N ILE A 68 -10.615 0.805 0.285 1.00 0.00 N ATOM 1042 CA ILE A 68 -11.810 1.227 -0.425 1.00 0.00 C ATOM 1043 C ILE A 68 -12.687 0.007 -0.709 1.00 0.00 C ATOM 1044 O ILE A 68 -13.912 0.114 -0.746 1.00 0.00 O ATOM 1045 CB ILE A 68 -11.435 2.021 -1.678 1.00 0.00 C ATOM 1046 CG1 ILE A 68 -9.940 2.343 -1.697 1.00 0.00 C ATOM 1047 CG2 ILE A 68 -12.294 3.281 -1.807 1.00 0.00 C ATOM 1048 CD1 ILE A 68 -9.563 3.268 -0.538 1.00 0.00 C ATOM 0 H ILE A 68 -9.909 0.356 -0.298 1.00 0.00 H new ATOM 0 HA ILE A 68 -12.400 1.906 0.191 1.00 0.00 H new ATOM 0 HB ILE A 68 -11.641 1.400 -2.549 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -9.365 1.419 -1.632 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -9.678 2.815 -2.644 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -12.007 3.827 -2.706 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -13.345 3.000 -1.874 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -12.143 3.915 -0.934 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -8.495 3.481 -0.575 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -10.122 4.200 -0.620 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -9.803 2.783 0.408 1.00 0.00 H new