USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 624 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 60 ASN : amide:sc= 0.256 K(o=-0.92,f=-2) USER MOD Set 1.2: A 62 GLN : amide:sc= -1.17 K(o=-0.92,f=-2) USER MOD Set 2.1: A 22 THR OG1 : rot -15:sc= 0.526 USER MOD Set 2.2: A 25 ASN :FLIP amide:sc= 0.536 F(o=0.012,f=1.1) USER MOD Set 3.1: A 7 THR OG1 : rot 108:sc= 1.34 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 1.14 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 1.09 (180deg=1.09) USER MOD Single : A 2 GLN : amide:sc= 0.182 X(o=0.18,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -150:sc= 0.991 (180deg=0.377) USER MOD Single : A 29 LYS NZ :NH3+ -175:sc= 1.12 (180deg=1.11) USER MOD Single : A 31 GLN : amide:sc= 0.488 X(o=0.49,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 154:sc= 1.95 (180deg=1.09) USER MOD Single : A 40 GLN : amide:sc= -0.0454 K(o=-0.045,f=-1.8!) USER MOD Single : A 41 ASN : amide:sc= -0.0832 K(o=-0.083,f=-1.7!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.241 X(o=-0.24,f=-0.52) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 150:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -117:sc= 1.4 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.169 K(o=-0.17,f=-2.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.518 -2.622 4.234 1.00 0.00 N ATOM 2 CA MET A 1 -13.166 -2.870 2.829 1.00 0.00 C ATOM 3 C MET A 1 -11.879 -3.683 2.757 1.00 0.00 C ATOM 4 O MET A 1 -11.171 -3.833 3.750 1.00 0.00 O ATOM 5 CB MET A 1 -12.972 -1.540 2.071 1.00 0.00 C ATOM 6 CG MET A 1 -14.188 -1.134 1.250 1.00 0.00 C ATOM 7 SD MET A 1 -15.726 -1.017 2.187 1.00 0.00 S ATOM 8 CE MET A 1 -16.604 0.213 1.187 1.00 0.00 C ATOM 0 H1 MET A 1 -14.396 -2.067 4.279 1.00 0.00 H new ATOM 0 H2 MET A 1 -13.656 -3.530 4.723 1.00 0.00 H new ATOM 0 H3 MET A 1 -12.751 -2.093 4.696 1.00 0.00 H new ATOM 0 HA MET A 1 -13.981 -3.424 2.363 1.00 0.00 H new ATOM 0 HB2 MET A 1 -12.746 -0.751 2.788 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.109 -1.628 1.411 1.00 0.00 H new ATOM 0 HG2 MET A 1 -13.989 -0.169 0.783 1.00 0.00 H new ATOM 0 HG3 MET A 1 -14.323 -1.856 0.445 1.00 0.00 H new ATOM 0 HE1 MET A 1 -17.583 0.407 1.626 1.00 0.00 H new ATOM 0 HE2 MET A 1 -16.028 1.138 1.160 1.00 0.00 H new ATOM 0 HE3 MET A 1 -16.730 -0.165 0.173 1.00 0.00 H new ATOM 18 N GLN A 2 -11.534 -4.205 1.581 1.00 0.00 N ATOM 19 CA GLN A 2 -10.307 -4.957 1.380 1.00 0.00 C ATOM 20 C GLN A 2 -9.765 -4.620 0.001 1.00 0.00 C ATOM 21 O GLN A 2 -10.528 -4.193 -0.869 1.00 0.00 O ATOM 22 CB GLN A 2 -10.519 -6.477 1.530 1.00 0.00 C ATOM 23 CG GLN A 2 -11.278 -7.130 0.362 1.00 0.00 C ATOM 24 CD GLN A 2 -11.313 -8.647 0.493 1.00 0.00 C ATOM 25 OE1 GLN A 2 -11.839 -9.202 1.454 1.00 0.00 O ATOM 26 NE2 GLN A 2 -10.783 -9.370 -0.474 1.00 0.00 N ATOM 0 H GLN A 2 -12.104 -4.115 0.740 1.00 0.00 H new ATOM 0 HA GLN A 2 -9.590 -4.674 2.151 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -9.547 -6.959 1.631 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -11.066 -6.666 2.454 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -12.297 -6.744 0.328 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -10.802 -6.857 -0.580 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -10.346 -8.911 -1.273 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -10.810 -10.388 -0.423 1.00 0.00 H new ATOM 35 N ILE A 3 -8.467 -4.808 -0.202 1.00 0.00 N ATOM 36 CA ILE A 3 -7.780 -4.588 -1.467 1.00 0.00 C ATOM 37 C ILE A 3 -6.682 -5.650 -1.544 1.00 0.00 C ATOM 38 O ILE A 3 -6.244 -6.184 -0.517 1.00 0.00 O ATOM 39 CB ILE A 3 -7.252 -3.142 -1.678 1.00 0.00 C ATOM 40 CG1 ILE A 3 -5.912 -2.793 -0.998 1.00 0.00 C ATOM 41 CG2 ILE A 3 -8.305 -2.057 -1.380 1.00 0.00 C ATOM 42 CD1 ILE A 3 -5.888 -2.947 0.518 1.00 0.00 C ATOM 0 H ILE A 3 -7.842 -5.130 0.537 1.00 0.00 H new ATOM 0 HA ILE A 3 -8.487 -4.691 -2.290 1.00 0.00 H new ATOM 0 HB ILE A 3 -7.038 -3.142 -2.747 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -5.133 -3.426 -1.423 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -5.656 -1.763 -1.246 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -7.870 -1.072 -1.548 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -9.163 -2.192 -2.039 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -8.628 -2.139 -0.342 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -4.902 -2.677 0.896 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -6.638 -2.293 0.962 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -6.107 -3.982 0.782 1.00 0.00 H new ATOM 54 N PHE A 4 -6.269 -5.989 -2.758 1.00 0.00 N ATOM 55 CA PHE A 4 -5.221 -6.970 -2.992 1.00 0.00 C ATOM 56 C PHE A 4 -3.937 -6.177 -3.199 1.00 0.00 C ATOM 57 O PHE A 4 -3.986 -5.040 -3.669 1.00 0.00 O ATOM 58 CB PHE A 4 -5.594 -7.861 -4.183 1.00 0.00 C ATOM 59 CG PHE A 4 -6.964 -8.498 -4.017 1.00 0.00 C ATOM 60 CD1 PHE A 4 -7.161 -9.510 -3.057 1.00 0.00 C ATOM 61 CD2 PHE A 4 -8.063 -8.020 -4.758 1.00 0.00 C ATOM 62 CE1 PHE A 4 -8.449 -10.029 -2.834 1.00 0.00 C ATOM 63 CE2 PHE A 4 -9.349 -8.537 -4.533 1.00 0.00 C ATOM 64 CZ PHE A 4 -9.542 -9.544 -3.573 1.00 0.00 C ATOM 0 H PHE A 4 -6.655 -5.588 -3.613 1.00 0.00 H new ATOM 0 HA PHE A 4 -5.086 -7.654 -2.154 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -5.580 -7.267 -5.097 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -4.843 -8.643 -4.299 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -6.322 -9.888 -2.492 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -7.915 -7.252 -5.503 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -8.599 -10.801 -2.094 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -10.189 -8.161 -5.098 1.00 0.00 H new ATOM 0 HZ PHE A 4 -10.530 -9.946 -3.403 1.00 0.00 H new ATOM 74 N VAL A 5 -2.787 -6.764 -2.890 1.00 0.00 N ATOM 75 CA VAL A 5 -1.488 -6.129 -3.010 1.00 0.00 C ATOM 76 C VAL A 5 -0.498 -7.138 -3.588 1.00 0.00 C ATOM 77 O VAL A 5 -0.332 -8.221 -3.023 1.00 0.00 O ATOM 78 CB VAL A 5 -1.023 -5.621 -1.626 1.00 0.00 C ATOM 79 CG1 VAL A 5 0.181 -4.694 -1.807 1.00 0.00 C ATOM 80 CG2 VAL A 5 -2.097 -4.861 -0.827 1.00 0.00 C ATOM 0 H VAL A 5 -2.735 -7.721 -2.540 1.00 0.00 H new ATOM 0 HA VAL A 5 -1.548 -5.270 -3.679 1.00 0.00 H new ATOM 0 HB VAL A 5 -0.777 -6.515 -1.053 1.00 0.00 H new ATOM 0 HG11 VAL A 5 0.512 -4.333 -0.833 1.00 0.00 H new ATOM 0 HG12 VAL A 5 0.993 -5.241 -2.287 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -0.103 -3.846 -2.430 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -1.682 -4.543 0.129 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -2.420 -3.986 -1.392 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -2.951 -5.515 -0.652 1.00 0.00 H new ATOM 90 N LYS A 6 0.117 -6.817 -4.729 1.00 0.00 N ATOM 91 CA LYS A 6 1.107 -7.665 -5.381 1.00 0.00 C ATOM 92 C LYS A 6 2.474 -7.268 -4.823 1.00 0.00 C ATOM 93 O LYS A 6 2.796 -6.079 -4.791 1.00 0.00 O ATOM 94 CB LYS A 6 1.034 -7.517 -6.915 1.00 0.00 C ATOM 95 CG LYS A 6 1.508 -8.789 -7.644 1.00 0.00 C ATOM 96 CD LYS A 6 0.493 -9.942 -7.553 1.00 0.00 C ATOM 97 CE LYS A 6 -0.719 -9.782 -8.473 1.00 0.00 C ATOM 98 NZ LYS A 6 -0.473 -10.245 -9.851 1.00 0.00 N ATOM 0 H LYS A 6 -0.064 -5.947 -5.230 1.00 0.00 H new ATOM 0 HA LYS A 6 0.919 -8.719 -5.176 1.00 0.00 H new ATOM 0 HB2 LYS A 6 0.009 -7.292 -7.209 1.00 0.00 H new ATOM 0 HB3 LYS A 6 1.647 -6.671 -7.227 1.00 0.00 H new ATOM 0 HG2 LYS A 6 1.691 -8.554 -8.693 1.00 0.00 H new ATOM 0 HG3 LYS A 6 2.458 -9.113 -7.219 1.00 0.00 H new ATOM 0 HD2 LYS A 6 0.999 -10.877 -7.795 1.00 0.00 H new ATOM 0 HD3 LYS A 6 0.145 -10.025 -6.523 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -1.559 -10.337 -8.055 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -1.012 -8.732 -8.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -1.332 -10.109 -10.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 0.308 -9.699 -10.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -0.222 -11.254 -9.839 1.00 0.00 H new ATOM 112 N THR A 7 3.247 -8.221 -4.317 1.00 0.00 N ATOM 113 CA THR A 7 4.568 -7.975 -3.746 1.00 0.00 C ATOM 114 C THR A 7 5.663 -7.970 -4.826 1.00 0.00 C ATOM 115 O THR A 7 5.417 -8.366 -5.968 1.00 0.00 O ATOM 116 CB THR A 7 4.866 -9.063 -2.699 1.00 0.00 C ATOM 117 OG1 THR A 7 4.948 -10.308 -3.343 1.00 0.00 O ATOM 118 CG2 THR A 7 3.807 -9.182 -1.596 1.00 0.00 C ATOM 0 H THR A 7 2.970 -9.202 -4.291 1.00 0.00 H new ATOM 0 HA THR A 7 4.567 -6.990 -3.279 1.00 0.00 H new ATOM 0 HB THR A 7 5.802 -8.771 -2.223 1.00 0.00 H new ATOM 0 HG1 THR A 7 5.882 -10.604 -3.365 1.00 0.00 H new ATOM 0 HG21 THR A 7 4.093 -9.971 -0.900 1.00 0.00 H new ATOM 0 HG22 THR A 7 3.732 -8.236 -1.060 1.00 0.00 H new ATOM 0 HG23 THR A 7 2.842 -9.424 -2.042 1.00 0.00 H new ATOM 126 N LEU A 8 6.895 -7.577 -4.458 1.00 0.00 N ATOM 127 CA LEU A 8 8.032 -7.588 -5.390 1.00 0.00 C ATOM 128 C LEU A 8 8.376 -9.045 -5.732 1.00 0.00 C ATOM 129 O LEU A 8 8.950 -9.322 -6.782 1.00 0.00 O ATOM 130 CB LEU A 8 9.283 -6.918 -4.788 1.00 0.00 C ATOM 131 CG LEU A 8 9.330 -5.384 -4.910 1.00 0.00 C ATOM 132 CD1 LEU A 8 10.609 -4.866 -4.242 1.00 0.00 C ATOM 133 CD2 LEU A 8 9.324 -4.912 -6.372 1.00 0.00 C ATOM 0 H LEU A 8 7.127 -7.248 -3.521 1.00 0.00 H new ATOM 0 HA LEU A 8 7.742 -7.027 -6.278 1.00 0.00 H new ATOM 0 HB2 LEU A 8 9.346 -7.184 -3.733 1.00 0.00 H new ATOM 0 HB3 LEU A 8 10.166 -7.332 -5.274 1.00 0.00 H new ATOM 0 HG LEU A 8 8.437 -4.992 -4.423 1.00 0.00 H new ATOM 0 HD11 LEU A 8 10.649 -3.780 -4.325 1.00 0.00 H new ATOM 0 HD12 LEU A 8 10.610 -5.150 -3.190 1.00 0.00 H new ATOM 0 HD13 LEU A 8 11.479 -5.299 -4.736 1.00 0.00 H new ATOM 0 HD21 LEU A 8 9.358 -3.823 -6.403 1.00 0.00 H new ATOM 0 HD22 LEU A 8 10.194 -5.317 -6.889 1.00 0.00 H new ATOM 0 HD23 LEU A 8 8.415 -5.261 -6.863 1.00 0.00 H new ATOM 145 N THR A 9 8.029 -9.979 -4.843 1.00 0.00 N ATOM 146 CA THR A 9 8.231 -11.416 -4.974 1.00 0.00 C ATOM 147 C THR A 9 7.164 -12.034 -5.902 1.00 0.00 C ATOM 148 O THR A 9 7.131 -13.246 -6.101 1.00 0.00 O ATOM 149 CB THR A 9 8.268 -12.021 -3.553 1.00 0.00 C ATOM 150 OG1 THR A 9 7.266 -11.447 -2.722 1.00 0.00 O ATOM 151 CG2 THR A 9 9.618 -11.706 -2.905 1.00 0.00 C ATOM 0 H THR A 9 7.574 -9.734 -3.964 1.00 0.00 H new ATOM 0 HA THR A 9 9.182 -11.645 -5.456 1.00 0.00 H new ATOM 0 HB THR A 9 8.103 -13.094 -3.647 1.00 0.00 H new ATOM 0 HG1 THR A 9 7.311 -11.849 -1.830 1.00 0.00 H new ATOM 0 HG21 THR A 9 9.648 -12.131 -1.902 1.00 0.00 H new ATOM 0 HG22 THR A 9 10.419 -12.136 -3.506 1.00 0.00 H new ATOM 0 HG23 THR A 9 9.750 -10.626 -2.845 1.00 0.00 H new ATOM 159 N GLY A 10 6.281 -11.207 -6.472 1.00 0.00 N ATOM 160 CA GLY A 10 5.209 -11.569 -7.396 1.00 0.00 C ATOM 161 C GLY A 10 4.039 -12.247 -6.699 1.00 0.00 C ATOM 162 O GLY A 10 3.149 -12.792 -7.347 1.00 0.00 O ATOM 0 H GLY A 10 6.300 -10.204 -6.286 1.00 0.00 H new ATOM 0 HA2 GLY A 10 4.854 -10.672 -7.904 1.00 0.00 H new ATOM 0 HA3 GLY A 10 5.605 -12.234 -8.163 1.00 0.00 H new ATOM 166 N LYS A 11 4.068 -12.282 -5.374 1.00 0.00 N ATOM 167 CA LYS A 11 3.068 -12.885 -4.519 1.00 0.00 C ATOM 168 C LYS A 11 1.885 -11.940 -4.379 1.00 0.00 C ATOM 169 O LYS A 11 2.007 -10.757 -4.701 1.00 0.00 O ATOM 170 CB LYS A 11 3.729 -13.084 -3.147 1.00 0.00 C ATOM 171 CG LYS A 11 3.268 -14.368 -2.451 1.00 0.00 C ATOM 172 CD LYS A 11 3.747 -14.418 -1.002 1.00 0.00 C ATOM 173 CE LYS A 11 2.857 -13.536 -0.121 1.00 0.00 C ATOM 174 NZ LYS A 11 3.383 -13.501 1.253 1.00 0.00 N ATOM 0 H LYS A 11 4.833 -11.867 -4.843 1.00 0.00 H new ATOM 0 HA LYS A 11 2.711 -13.830 -4.929 1.00 0.00 H new ATOM 0 HB2 LYS A 11 4.812 -13.111 -3.270 1.00 0.00 H new ATOM 0 HB3 LYS A 11 3.501 -12.229 -2.511 1.00 0.00 H new ATOM 0 HG2 LYS A 11 2.180 -14.428 -2.479 1.00 0.00 H new ATOM 0 HG3 LYS A 11 3.649 -15.234 -2.992 1.00 0.00 H new ATOM 0 HD2 LYS A 11 3.726 -15.446 -0.639 1.00 0.00 H new ATOM 0 HD3 LYS A 11 4.781 -14.080 -0.941 1.00 0.00 H new ATOM 0 HE2 LYS A 11 2.815 -12.526 -0.529 1.00 0.00 H new ATOM 0 HE3 LYS A 11 1.837 -13.922 -0.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 2.773 -12.900 1.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 3.401 -14.465 1.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 4.348 -13.113 1.246 1.00 0.00 H new ATOM 188 N THR A 12 0.767 -12.413 -3.836 1.00 0.00 N ATOM 189 CA THR A 12 -0.397 -11.566 -3.626 1.00 0.00 C ATOM 190 C THR A 12 -0.840 -11.719 -2.176 1.00 0.00 C ATOM 191 O THR A 12 -0.850 -12.822 -1.621 1.00 0.00 O ATOM 192 CB THR A 12 -1.534 -11.847 -4.626 1.00 0.00 C ATOM 193 OG1 THR A 12 -1.064 -12.201 -5.914 1.00 0.00 O ATOM 194 CG2 THR A 12 -2.435 -10.616 -4.792 1.00 0.00 C ATOM 0 H THR A 12 0.645 -13.380 -3.534 1.00 0.00 H new ATOM 0 HA THR A 12 -0.122 -10.528 -3.815 1.00 0.00 H new ATOM 0 HB THR A 12 -2.086 -12.687 -4.205 1.00 0.00 H new ATOM 0 HG1 THR A 12 -1.827 -12.369 -6.506 1.00 0.00 H new ATOM 0 HG21 THR A 12 -3.230 -10.840 -5.503 1.00 0.00 H new ATOM 0 HG22 THR A 12 -2.873 -10.353 -3.829 1.00 0.00 H new ATOM 0 HG23 THR A 12 -1.843 -9.779 -5.162 1.00 0.00 H new ATOM 202 N ILE A 13 -1.193 -10.602 -1.549 1.00 0.00 N ATOM 203 CA ILE A 13 -1.652 -10.508 -0.168 1.00 0.00 C ATOM 204 C ILE A 13 -2.920 -9.649 -0.177 1.00 0.00 C ATOM 205 O ILE A 13 -3.075 -8.807 -1.061 1.00 0.00 O ATOM 206 CB ILE A 13 -0.526 -9.862 0.687 1.00 0.00 C ATOM 207 CG1 ILE A 13 0.790 -10.673 0.596 1.00 0.00 C ATOM 208 CG2 ILE A 13 -0.944 -9.703 2.162 1.00 0.00 C ATOM 209 CD1 ILE A 13 1.974 -10.029 1.325 1.00 0.00 C ATOM 0 H ILE A 13 -1.165 -9.694 -2.013 1.00 0.00 H new ATOM 0 HA ILE A 13 -1.878 -11.483 0.263 1.00 0.00 H new ATOM 0 HB ILE A 13 -0.353 -8.869 0.273 1.00 0.00 H new ATOM 0 HG12 ILE A 13 0.621 -11.667 1.009 1.00 0.00 H new ATOM 0 HG13 ILE A 13 1.051 -10.804 -0.454 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -0.129 -9.248 2.724 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -1.827 -9.066 2.223 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -1.173 -10.682 2.583 1.00 0.00 H new ATOM 0 HD11 ILE A 13 2.856 -10.659 1.213 1.00 0.00 H new ATOM 0 HD12 ILE A 13 2.173 -9.046 0.898 1.00 0.00 H new ATOM 0 HD13 ILE A 13 1.736 -9.923 2.383 1.00 0.00 H new ATOM 221 N THR A 14 -3.818 -9.839 0.787 1.00 0.00 N ATOM 222 CA THR A 14 -5.042 -9.060 0.913 1.00 0.00 C ATOM 223 C THR A 14 -4.906 -8.276 2.216 1.00 0.00 C ATOM 224 O THR A 14 -4.413 -8.817 3.210 1.00 0.00 O ATOM 225 CB THR A 14 -6.295 -9.951 0.971 1.00 0.00 C ATOM 226 OG1 THR A 14 -6.221 -11.049 0.079 1.00 0.00 O ATOM 227 CG2 THR A 14 -7.556 -9.142 0.664 1.00 0.00 C ATOM 0 H THR A 14 -3.712 -10.549 1.512 1.00 0.00 H new ATOM 0 HA THR A 14 -5.166 -8.412 0.045 1.00 0.00 H new ATOM 0 HB THR A 14 -6.344 -10.341 1.988 1.00 0.00 H new ATOM 0 HG1 THR A 14 -7.037 -11.586 0.153 1.00 0.00 H new ATOM 0 HG21 THR A 14 -8.428 -9.795 0.711 1.00 0.00 H new ATOM 0 HG22 THR A 14 -7.662 -8.341 1.396 1.00 0.00 H new ATOM 0 HG23 THR A 14 -7.478 -8.712 -0.335 1.00 0.00 H new ATOM 235 N LEU A 15 -5.298 -7.003 2.220 1.00 0.00 N ATOM 236 CA LEU A 15 -5.254 -6.154 3.405 1.00 0.00 C ATOM 237 C LEU A 15 -6.661 -5.613 3.598 1.00 0.00 C ATOM 238 O LEU A 15 -7.372 -5.375 2.618 1.00 0.00 O ATOM 239 CB LEU A 15 -4.276 -4.975 3.278 1.00 0.00 C ATOM 240 CG LEU A 15 -2.823 -5.306 2.911 1.00 0.00 C ATOM 241 CD1 LEU A 15 -2.048 -3.985 2.849 1.00 0.00 C ATOM 242 CD2 LEU A 15 -2.142 -6.226 3.927 1.00 0.00 C ATOM 0 H LEU A 15 -5.658 -6.529 1.392 1.00 0.00 H new ATOM 0 HA LEU A 15 -4.903 -6.748 4.249 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -4.667 -4.291 2.525 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -4.271 -4.437 4.226 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.827 -5.833 1.957 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.008 -4.185 2.590 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.492 -3.338 2.093 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.091 -3.492 3.820 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.118 -6.422 3.611 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.134 -5.745 4.905 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -2.689 -7.167 3.990 1.00 0.00 H new ATOM 254 N GLU A 16 -7.052 -5.432 4.852 1.00 0.00 N ATOM 255 CA GLU A 16 -8.360 -4.914 5.229 1.00 0.00 C ATOM 256 C GLU A 16 -8.156 -3.427 5.500 1.00 0.00 C ATOM 257 O GLU A 16 -7.268 -3.086 6.278 1.00 0.00 O ATOM 258 CB GLU A 16 -8.868 -5.679 6.453 1.00 0.00 C ATOM 259 CG GLU A 16 -10.342 -5.364 6.711 1.00 0.00 C ATOM 260 CD GLU A 16 -10.892 -6.267 7.806 1.00 0.00 C ATOM 261 OE1 GLU A 16 -11.402 -7.359 7.479 1.00 0.00 O ATOM 262 OE2 GLU A 16 -10.846 -5.858 8.992 1.00 0.00 O ATOM 0 H GLU A 16 -6.456 -5.646 5.652 1.00 0.00 H new ATOM 0 HA GLU A 16 -9.115 -5.043 4.454 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -8.741 -6.750 6.297 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -8.275 -5.412 7.328 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -10.452 -4.319 7.002 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -10.916 -5.501 5.795 1.00 0.00 H new ATOM 269 N VAL A 17 -8.894 -2.546 4.832 1.00 0.00 N ATOM 270 CA VAL A 17 -8.799 -1.091 4.952 1.00 0.00 C ATOM 271 C VAL A 17 -10.194 -0.464 4.889 1.00 0.00 C ATOM 272 O VAL A 17 -11.179 -1.165 4.669 1.00 0.00 O ATOM 273 CB VAL A 17 -7.933 -0.550 3.788 1.00 0.00 C ATOM 274 CG1 VAL A 17 -6.495 -1.095 3.801 1.00 0.00 C ATOM 275 CG2 VAL A 17 -8.563 -0.826 2.404 1.00 0.00 C ATOM 0 H VAL A 17 -9.606 -2.837 4.162 1.00 0.00 H new ATOM 0 HA VAL A 17 -8.343 -0.834 5.908 1.00 0.00 H new ATOM 0 HB VAL A 17 -7.894 0.527 3.953 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -5.940 -0.678 2.960 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -6.007 -0.812 4.734 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -6.517 -2.182 3.718 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -7.916 -0.426 1.623 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -8.678 -1.901 2.265 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -9.540 -0.346 2.347 1.00 0.00 H new ATOM 285 N GLU A 18 -10.306 0.853 5.048 1.00 0.00 N ATOM 286 CA GLU A 18 -11.562 1.578 4.957 1.00 0.00 C ATOM 287 C GLU A 18 -11.286 2.899 4.231 1.00 0.00 C ATOM 288 O GLU A 18 -10.141 3.356 4.223 1.00 0.00 O ATOM 289 CB GLU A 18 -12.204 1.824 6.322 1.00 0.00 C ATOM 290 CG GLU A 18 -12.697 0.564 7.064 1.00 0.00 C ATOM 291 CD GLU A 18 -13.794 -0.260 6.365 1.00 0.00 C ATOM 292 OE1 GLU A 18 -14.191 -1.319 6.905 1.00 0.00 O ATOM 293 OE2 GLU A 18 -14.274 0.085 5.259 1.00 0.00 O ATOM 0 H GLU A 18 -9.507 1.454 5.248 1.00 0.00 H new ATOM 0 HA GLU A 18 -12.281 0.975 4.402 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -11.481 2.338 6.956 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -13.049 2.500 6.190 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -11.840 -0.087 7.238 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -13.070 0.868 8.042 1.00 0.00 H new ATOM 300 N PRO A 19 -12.301 3.544 3.638 1.00 0.00 N ATOM 301 CA PRO A 19 -12.130 4.799 2.909 1.00 0.00 C ATOM 302 C PRO A 19 -11.476 5.946 3.692 1.00 0.00 C ATOM 303 O PRO A 19 -10.711 6.725 3.107 1.00 0.00 O ATOM 304 CB PRO A 19 -13.539 5.193 2.465 1.00 0.00 C ATOM 305 CG PRO A 19 -14.310 3.874 2.456 1.00 0.00 C ATOM 306 CD PRO A 19 -13.684 3.082 3.581 1.00 0.00 C ATOM 0 HA PRO A 19 -11.431 4.632 2.089 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -13.987 5.912 3.151 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -13.531 5.657 1.479 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -15.375 4.032 2.623 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -14.210 3.359 1.501 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -14.200 3.260 4.525 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -13.735 2.011 3.387 1.00 0.00 H new ATOM 314 N SER A 20 -11.793 6.083 4.983 1.00 0.00 N ATOM 315 CA SER A 20 -11.273 7.128 5.858 1.00 0.00 C ATOM 316 C SER A 20 -9.952 6.738 6.523 1.00 0.00 C ATOM 317 O SER A 20 -9.341 7.602 7.159 1.00 0.00 O ATOM 318 CB SER A 20 -12.342 7.529 6.888 1.00 0.00 C ATOM 319 OG SER A 20 -12.219 8.903 7.208 1.00 0.00 O ATOM 0 H SER A 20 -12.437 5.450 5.458 1.00 0.00 H new ATOM 0 HA SER A 20 -11.043 7.997 5.241 1.00 0.00 H new ATOM 0 HB2 SER A 20 -13.336 7.328 6.489 1.00 0.00 H new ATOM 0 HB3 SER A 20 -12.233 6.927 7.790 1.00 0.00 H new ATOM 0 HG SER A 20 -12.905 9.149 7.863 1.00 0.00 H new ATOM 325 N ASP A 21 -9.510 5.481 6.404 1.00 0.00 N ATOM 326 CA ASP A 21 -8.242 5.069 6.999 1.00 0.00 C ATOM 327 C ASP A 21 -7.140 5.788 6.220 1.00 0.00 C ATOM 328 O ASP A 21 -7.200 5.925 4.988 1.00 0.00 O ATOM 329 CB ASP A 21 -8.033 3.547 6.961 1.00 0.00 C ATOM 330 CG ASP A 21 -8.686 2.783 8.118 1.00 0.00 C ATOM 331 OD1 ASP A 21 -8.258 1.633 8.358 1.00 0.00 O ATOM 332 OD2 ASP A 21 -9.638 3.285 8.761 1.00 0.00 O ATOM 0 H ASP A 21 -10.007 4.742 5.907 1.00 0.00 H new ATOM 0 HA ASP A 21 -8.229 5.336 8.056 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -8.428 3.163 6.021 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -6.963 3.340 6.965 1.00 0.00 H new ATOM 337 N THR A 22 -6.149 6.313 6.939 1.00 0.00 N ATOM 338 CA THR A 22 -5.048 7.023 6.308 1.00 0.00 C ATOM 339 C THR A 22 -4.112 5.996 5.684 1.00 0.00 C ATOM 340 O THR A 22 -4.079 4.838 6.114 1.00 0.00 O ATOM 341 CB THR A 22 -4.336 7.946 7.309 1.00 0.00 C ATOM 342 OG1 THR A 22 -3.795 7.180 8.362 1.00 0.00 O ATOM 343 CG2 THR A 22 -5.303 8.994 7.865 1.00 0.00 C ATOM 0 H THR A 22 -6.090 6.258 7.956 1.00 0.00 H new ATOM 0 HA THR A 22 -5.422 7.678 5.521 1.00 0.00 H new ATOM 0 HB THR A 22 -3.531 8.466 6.790 1.00 0.00 H new ATOM 0 HG1 THR A 22 -4.186 6.282 8.348 1.00 0.00 H new ATOM 0 HG21 THR A 22 -4.777 9.636 8.571 1.00 0.00 H new ATOM 0 HG22 THR A 22 -5.694 9.599 7.047 1.00 0.00 H new ATOM 0 HG23 THR A 22 -6.128 8.495 8.373 1.00 0.00 H new ATOM 351 N ILE A 23 -3.295 6.418 4.720 1.00 0.00 N ATOM 352 CA ILE A 23 -2.341 5.542 4.046 1.00 0.00 C ATOM 353 C ILE A 23 -1.343 4.945 5.058 1.00 0.00 C ATOM 354 O ILE A 23 -0.707 3.927 4.784 1.00 0.00 O ATOM 355 CB ILE A 23 -1.699 6.307 2.869 1.00 0.00 C ATOM 356 CG1 ILE A 23 -2.739 6.718 1.797 1.00 0.00 C ATOM 357 CG2 ILE A 23 -0.573 5.492 2.226 1.00 0.00 C ATOM 358 CD1 ILE A 23 -3.545 5.580 1.156 1.00 0.00 C ATOM 0 H ILE A 23 -3.277 7.381 4.384 1.00 0.00 H new ATOM 0 HA ILE A 23 -2.842 4.677 3.612 1.00 0.00 H new ATOM 0 HB ILE A 23 -1.277 7.221 3.288 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -3.439 7.419 2.252 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -2.219 7.256 1.005 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -0.141 6.057 1.400 1.00 0.00 H new ATOM 0 HG22 ILE A 23 0.198 5.287 2.969 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -0.974 4.551 1.851 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -4.238 5.993 0.423 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -2.865 4.886 0.661 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -4.105 5.051 1.927 1.00 0.00 H new ATOM 370 N GLU A 24 -1.202 5.554 6.236 1.00 0.00 N ATOM 371 CA GLU A 24 -0.328 5.081 7.300 1.00 0.00 C ATOM 372 C GLU A 24 -0.828 3.703 7.745 1.00 0.00 C ATOM 373 O GLU A 24 -0.022 2.802 7.946 1.00 0.00 O ATOM 374 CB GLU A 24 -0.353 6.089 8.457 1.00 0.00 C ATOM 375 CG GLU A 24 0.203 7.450 8.007 1.00 0.00 C ATOM 376 CD GLU A 24 0.136 8.532 9.078 1.00 0.00 C ATOM 377 OE1 GLU A 24 -0.518 8.349 10.127 1.00 0.00 O ATOM 378 OE2 GLU A 24 0.741 9.614 8.891 1.00 0.00 O ATOM 0 H GLU A 24 -1.705 6.408 6.478 1.00 0.00 H new ATOM 0 HA GLU A 24 0.703 4.991 6.957 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -1.374 6.210 8.818 1.00 0.00 H new ATOM 0 HB3 GLU A 24 0.237 5.708 9.290 1.00 0.00 H new ATOM 0 HG2 GLU A 24 1.241 7.323 7.698 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -0.352 7.786 7.131 1.00 0.00 H new ATOM 385 N ASN A 25 -2.153 3.524 7.834 1.00 0.00 N ATOM 386 CA ASN A 25 -2.798 2.271 8.225 1.00 0.00 C ATOM 387 C ASN A 25 -2.405 1.197 7.237 1.00 0.00 C ATOM 388 O ASN A 25 -2.007 0.102 7.598 1.00 0.00 O ATOM 389 CB ASN A 25 -4.337 2.342 8.216 1.00 0.00 C ATOM 390 CG ASN A 25 -4.791 3.242 9.322 1.00 0.00 C ATOM 391 OD1 ASN A 25 -4.760 4.521 9.041 1.00 0.00 O flip ATOM 392 ND2 ASN A 25 -5.019 2.817 10.445 1.00 0.00 N flip ATOM 0 H ASN A 25 -2.820 4.268 7.630 1.00 0.00 H new ATOM 0 HA ASN A 25 -2.471 2.060 9.243 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -4.691 2.718 7.256 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -4.760 1.346 8.344 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -5.033 1.812 10.617 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -5.195 3.468 11.210 1.00 0.00 H new ATOM 399 N VAL A 26 -2.544 1.514 5.958 1.00 0.00 N ATOM 400 CA VAL A 26 -2.246 0.633 4.844 1.00 0.00 C ATOM 401 C VAL A 26 -0.771 0.213 4.899 1.00 0.00 C ATOM 402 O VAL A 26 -0.455 -0.969 4.763 1.00 0.00 O ATOM 403 CB VAL A 26 -2.666 1.339 3.538 1.00 0.00 C ATOM 404 CG1 VAL A 26 -2.761 0.307 2.406 1.00 0.00 C ATOM 405 CG2 VAL A 26 -4.024 2.070 3.691 1.00 0.00 C ATOM 0 H VAL A 26 -2.881 2.429 5.659 1.00 0.00 H new ATOM 0 HA VAL A 26 -2.814 -0.296 4.894 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.909 2.087 3.302 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.058 0.805 1.483 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -1.791 -0.169 2.265 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.502 -0.449 2.664 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -4.285 2.554 2.750 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -4.798 1.349 3.954 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -3.946 2.822 4.477 1.00 0.00 H new ATOM 415 N LYS A 27 0.132 1.170 5.130 1.00 0.00 N ATOM 416 CA LYS A 27 1.565 0.918 5.233 1.00 0.00 C ATOM 417 C LYS A 27 1.847 0.049 6.471 1.00 0.00 C ATOM 418 O LYS A 27 2.738 -0.797 6.428 1.00 0.00 O ATOM 419 CB LYS A 27 2.283 2.273 5.244 1.00 0.00 C ATOM 420 CG LYS A 27 3.805 2.176 5.048 1.00 0.00 C ATOM 421 CD LYS A 27 4.467 3.544 4.792 1.00 0.00 C ATOM 422 CE LYS A 27 3.954 4.592 5.789 1.00 0.00 C ATOM 423 NZ LYS A 27 4.797 5.799 5.897 1.00 0.00 N ATOM 0 H LYS A 27 -0.118 2.151 5.252 1.00 0.00 H new ATOM 0 HA LYS A 27 1.945 0.353 4.382 1.00 0.00 H new ATOM 0 HB2 LYS A 27 1.865 2.901 4.457 1.00 0.00 H new ATOM 0 HB3 LYS A 27 2.080 2.772 6.191 1.00 0.00 H new ATOM 0 HG2 LYS A 27 4.252 1.722 5.933 1.00 0.00 H new ATOM 0 HG3 LYS A 27 4.016 1.513 4.209 1.00 0.00 H new ATOM 0 HD2 LYS A 27 5.550 3.451 4.879 1.00 0.00 H new ATOM 0 HD3 LYS A 27 4.256 3.870 3.774 1.00 0.00 H new ATOM 0 HE2 LYS A 27 2.948 4.892 5.496 1.00 0.00 H new ATOM 0 HE3 LYS A 27 3.875 4.130 6.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 4.722 6.190 6.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 5.788 5.549 5.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 4.477 6.509 5.208 1.00 0.00 H new ATOM 437 N ALA A 28 1.081 0.212 7.551 1.00 0.00 N ATOM 438 CA ALA A 28 1.209 -0.557 8.782 1.00 0.00 C ATOM 439 C ALA A 28 0.707 -1.992 8.552 1.00 0.00 C ATOM 440 O ALA A 28 1.345 -2.961 8.965 1.00 0.00 O ATOM 441 CB ALA A 28 0.410 0.142 9.896 1.00 0.00 C ATOM 0 H ALA A 28 0.333 0.904 7.591 1.00 0.00 H new ATOM 0 HA ALA A 28 2.255 -0.612 9.085 1.00 0.00 H new ATOM 0 HB1 ALA A 28 0.501 -0.427 10.821 1.00 0.00 H new ATOM 0 HB2 ALA A 28 0.802 1.147 10.049 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -0.640 0.202 9.608 1.00 0.00 H new ATOM 447 N LYS A 29 -0.415 -2.142 7.845 1.00 0.00 N ATOM 448 CA LYS A 29 -1.077 -3.404 7.517 1.00 0.00 C ATOM 449 C LYS A 29 -0.214 -4.315 6.653 1.00 0.00 C ATOM 450 O LYS A 29 -0.383 -5.535 6.747 1.00 0.00 O ATOM 451 CB LYS A 29 -2.437 -3.100 6.869 1.00 0.00 C ATOM 452 CG LYS A 29 -3.462 -2.700 7.942 1.00 0.00 C ATOM 453 CD LYS A 29 -4.592 -1.828 7.389 1.00 0.00 C ATOM 454 CE LYS A 29 -5.631 -1.449 8.460 1.00 0.00 C ATOM 455 NZ LYS A 29 -6.463 -2.594 8.886 1.00 0.00 N ATOM 0 H LYS A 29 -0.914 -1.338 7.464 1.00 0.00 H new ATOM 0 HA LYS A 29 -1.239 -3.962 8.439 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -2.329 -2.295 6.142 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -2.792 -3.975 6.325 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -3.888 -3.601 8.384 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -2.953 -2.162 8.742 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -4.168 -0.919 6.963 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -5.090 -2.358 6.577 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -5.116 -1.037 9.328 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -6.277 -0.662 8.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -7.198 -2.263 9.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -6.912 -3.026 8.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -5.865 -3.300 9.362 1.00 0.00 H new ATOM 469 N ILE A 30 0.671 -3.782 5.802 1.00 0.00 N ATOM 470 CA ILE A 30 1.537 -4.650 5.005 1.00 0.00 C ATOM 471 C ILE A 30 2.690 -5.104 5.907 1.00 0.00 C ATOM 472 O ILE A 30 3.056 -6.278 5.893 1.00 0.00 O ATOM 473 CB ILE A 30 1.995 -4.009 3.675 1.00 0.00 C ATOM 474 CG1 ILE A 30 2.864 -4.978 2.847 1.00 0.00 C ATOM 475 CG2 ILE A 30 2.745 -2.681 3.841 1.00 0.00 C ATOM 476 CD1 ILE A 30 2.154 -6.278 2.444 1.00 0.00 C ATOM 0 H ILE A 30 0.803 -2.782 5.651 1.00 0.00 H new ATOM 0 HA ILE A 30 0.977 -5.523 4.670 1.00 0.00 H new ATOM 0 HB ILE A 30 1.068 -3.792 3.145 1.00 0.00 H new ATOM 0 HG12 ILE A 30 3.199 -4.466 1.945 1.00 0.00 H new ATOM 0 HG13 ILE A 30 3.756 -5.228 3.421 1.00 0.00 H new ATOM 0 HG21 ILE A 30 3.031 -2.299 2.861 1.00 0.00 H new ATOM 0 HG22 ILE A 30 2.098 -1.958 4.338 1.00 0.00 H new ATOM 0 HG23 ILE A 30 3.640 -2.841 4.443 1.00 0.00 H new ATOM 0 HD11 ILE A 30 2.836 -6.901 1.865 1.00 0.00 H new ATOM 0 HD12 ILE A 30 1.843 -6.816 3.340 1.00 0.00 H new ATOM 0 HD13 ILE A 30 1.278 -6.042 1.840 1.00 0.00 H new ATOM 488 N GLN A 31 3.237 -4.203 6.733 1.00 0.00 N ATOM 489 CA GLN A 31 4.330 -4.502 7.653 1.00 0.00 C ATOM 490 C GLN A 31 3.937 -5.636 8.597 1.00 0.00 C ATOM 491 O GLN A 31 4.763 -6.499 8.892 1.00 0.00 O ATOM 492 CB GLN A 31 4.728 -3.236 8.412 1.00 0.00 C ATOM 493 CG GLN A 31 5.531 -2.313 7.496 1.00 0.00 C ATOM 494 CD GLN A 31 5.886 -1.018 8.210 1.00 0.00 C ATOM 495 OE1 GLN A 31 6.760 -0.967 9.070 1.00 0.00 O ATOM 496 NE2 GLN A 31 5.171 0.042 7.886 1.00 0.00 N ATOM 0 H GLN A 31 2.925 -3.233 6.778 1.00 0.00 H new ATOM 0 HA GLN A 31 5.199 -4.840 7.089 1.00 0.00 H new ATOM 0 HB2 GLN A 31 3.837 -2.721 8.771 1.00 0.00 H new ATOM 0 HB3 GLN A 31 5.320 -3.498 9.289 1.00 0.00 H new ATOM 0 HG2 GLN A 31 6.442 -2.817 7.173 1.00 0.00 H new ATOM 0 HG3 GLN A 31 4.954 -2.092 6.598 1.00 0.00 H new ATOM 0 HE21 GLN A 31 4.451 -0.029 7.167 1.00 0.00 H new ATOM 0 HE22 GLN A 31 5.338 0.933 8.354 1.00 0.00 H new ATOM 505 N ASP A 32 2.664 -5.694 8.988 1.00 0.00 N ATOM 506 CA ASP A 32 2.051 -6.707 9.857 1.00 0.00 C ATOM 507 C ASP A 32 2.169 -8.130 9.269 1.00 0.00 C ATOM 508 O ASP A 32 1.874 -9.103 9.958 1.00 0.00 O ATOM 509 CB ASP A 32 0.590 -6.266 10.089 1.00 0.00 C ATOM 510 CG ASP A 32 -0.416 -7.348 10.493 1.00 0.00 C ATOM 511 OD1 ASP A 32 -0.933 -8.047 9.592 1.00 0.00 O ATOM 512 OD2 ASP A 32 -0.917 -7.330 11.639 1.00 0.00 O ATOM 0 H ASP A 32 1.988 -4.991 8.689 1.00 0.00 H new ATOM 0 HA ASP A 32 2.576 -6.770 10.810 1.00 0.00 H new ATOM 0 HB2 ASP A 32 0.588 -5.498 10.863 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.230 -5.796 9.174 1.00 0.00 H new ATOM 517 N LYS A 33 2.636 -8.266 8.018 1.00 0.00 N ATOM 518 CA LYS A 33 2.815 -9.523 7.290 1.00 0.00 C ATOM 519 C LYS A 33 4.180 -9.626 6.617 1.00 0.00 C ATOM 520 O LYS A 33 4.686 -10.733 6.434 1.00 0.00 O ATOM 521 CB LYS A 33 1.759 -9.605 6.170 1.00 0.00 C ATOM 522 CG LYS A 33 0.330 -9.586 6.710 1.00 0.00 C ATOM 523 CD LYS A 33 -0.710 -9.318 5.619 1.00 0.00 C ATOM 524 CE LYS A 33 -2.091 -9.022 6.217 1.00 0.00 C ATOM 525 NZ LYS A 33 -2.079 -7.833 7.098 1.00 0.00 N ATOM 0 H LYS A 33 2.912 -7.457 7.462 1.00 0.00 H new ATOM 0 HA LYS A 33 2.720 -10.327 8.020 1.00 0.00 H new ATOM 0 HB2 LYS A 33 1.896 -8.769 5.484 1.00 0.00 H new ATOM 0 HB3 LYS A 33 1.914 -10.518 5.595 1.00 0.00 H new ATOM 0 HG2 LYS A 33 0.113 -10.542 7.186 1.00 0.00 H new ATOM 0 HG3 LYS A 33 0.247 -8.820 7.481 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -0.389 -8.474 5.008 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -0.776 -10.182 4.958 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -2.808 -8.867 5.411 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -2.432 -9.888 6.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -3.029 -7.410 7.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -1.800 -8.116 8.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -1.400 -7.136 6.731 1.00 0.00 H new ATOM 539 N GLU A 34 4.798 -8.506 6.240 1.00 0.00 N ATOM 540 CA GLU A 34 6.080 -8.478 5.542 1.00 0.00 C ATOM 541 C GLU A 34 7.292 -8.192 6.442 1.00 0.00 C ATOM 542 O GLU A 34 8.425 -8.456 6.029 1.00 0.00 O ATOM 543 CB GLU A 34 5.922 -7.504 4.358 1.00 0.00 C ATOM 544 CG GLU A 34 6.963 -7.660 3.237 1.00 0.00 C ATOM 545 CD GLU A 34 7.026 -9.046 2.581 1.00 0.00 C ATOM 546 OE1 GLU A 34 8.075 -9.350 1.964 1.00 0.00 O ATOM 547 OE2 GLU A 34 6.108 -9.885 2.730 1.00 0.00 O ATOM 0 H GLU A 34 4.413 -7.578 6.415 1.00 0.00 H new ATOM 0 HA GLU A 34 6.319 -9.475 5.173 1.00 0.00 H new ATOM 0 HB2 GLU A 34 4.928 -7.636 3.930 1.00 0.00 H new ATOM 0 HB3 GLU A 34 5.972 -6.484 4.739 1.00 0.00 H new ATOM 0 HG2 GLU A 34 6.752 -6.921 2.464 1.00 0.00 H new ATOM 0 HG3 GLU A 34 7.947 -7.425 3.643 1.00 0.00 H new ATOM 554 N GLY A 35 7.091 -7.661 7.652 1.00 0.00 N ATOM 555 CA GLY A 35 8.126 -7.346 8.641 1.00 0.00 C ATOM 556 C GLY A 35 9.108 -6.227 8.275 1.00 0.00 C ATOM 557 O GLY A 35 9.731 -5.664 9.173 1.00 0.00 O ATOM 0 H GLY A 35 6.155 -7.428 7.985 1.00 0.00 H new ATOM 0 HA2 GLY A 35 7.633 -7.075 9.575 1.00 0.00 H new ATOM 0 HA3 GLY A 35 8.699 -8.253 8.834 1.00 0.00 H new ATOM 561 N ILE A 36 9.233 -5.875 6.994 1.00 0.00 N ATOM 562 CA ILE A 36 10.121 -4.828 6.496 1.00 0.00 C ATOM 563 C ILE A 36 9.809 -3.472 7.159 1.00 0.00 C ATOM 564 O ILE A 36 8.695 -3.281 7.652 1.00 0.00 O ATOM 565 CB ILE A 36 10.040 -4.776 4.943 1.00 0.00 C ATOM 566 CG1 ILE A 36 8.623 -4.634 4.331 1.00 0.00 C ATOM 567 CG2 ILE A 36 10.688 -6.046 4.364 1.00 0.00 C ATOM 568 CD1 ILE A 36 8.045 -3.218 4.370 1.00 0.00 C ATOM 0 H ILE A 36 8.700 -6.328 6.251 1.00 0.00 H new ATOM 0 HA ILE A 36 11.150 -5.062 6.767 1.00 0.00 H new ATOM 0 HB ILE A 36 10.566 -3.861 4.672 1.00 0.00 H new ATOM 0 HG12 ILE A 36 8.655 -4.969 3.294 1.00 0.00 H new ATOM 0 HG13 ILE A 36 7.945 -5.303 4.861 1.00 0.00 H new ATOM 0 HG21 ILE A 36 10.635 -6.018 3.276 1.00 0.00 H new ATOM 0 HG22 ILE A 36 11.731 -6.097 4.676 1.00 0.00 H new ATOM 0 HG23 ILE A 36 10.157 -6.925 4.730 1.00 0.00 H new ATOM 0 HD11 ILE A 36 7.052 -3.218 3.920 1.00 0.00 H new ATOM 0 HD12 ILE A 36 7.975 -2.882 5.405 1.00 0.00 H new ATOM 0 HD13 ILE A 36 8.696 -2.544 3.813 1.00 0.00 H new ATOM 580 N PRO A 37 10.758 -2.523 7.195 1.00 0.00 N ATOM 581 CA PRO A 37 10.518 -1.210 7.779 1.00 0.00 C ATOM 582 C PRO A 37 9.780 -0.304 6.772 1.00 0.00 C ATOM 583 O PRO A 37 9.695 -0.634 5.591 1.00 0.00 O ATOM 584 CB PRO A 37 11.925 -0.651 8.031 1.00 0.00 C ATOM 585 CG PRO A 37 12.761 -1.255 6.904 1.00 0.00 C ATOM 586 CD PRO A 37 12.117 -2.620 6.675 1.00 0.00 C ATOM 0 HA PRO A 37 9.907 -1.261 8.680 1.00 0.00 H new ATOM 0 HB2 PRO A 37 11.935 0.438 7.998 1.00 0.00 H new ATOM 0 HB3 PRO A 37 12.303 -0.943 9.011 1.00 0.00 H new ATOM 0 HG2 PRO A 37 12.727 -0.639 6.005 1.00 0.00 H new ATOM 0 HG3 PRO A 37 13.809 -1.348 7.187 1.00 0.00 H new ATOM 0 HD2 PRO A 37 12.111 -2.874 5.615 1.00 0.00 H new ATOM 0 HD3 PRO A 37 12.675 -3.404 7.187 1.00 0.00 H new ATOM 594 N PRO A 38 9.305 0.888 7.183 1.00 0.00 N ATOM 595 CA PRO A 38 8.642 1.830 6.283 1.00 0.00 C ATOM 596 C PRO A 38 9.589 2.324 5.168 1.00 0.00 C ATOM 597 O PRO A 38 9.131 2.944 4.206 1.00 0.00 O ATOM 598 CB PRO A 38 8.202 3.010 7.161 1.00 0.00 C ATOM 599 CG PRO A 38 8.201 2.445 8.579 1.00 0.00 C ATOM 600 CD PRO A 38 9.307 1.395 8.541 1.00 0.00 C ATOM 0 HA PRO A 38 7.801 1.351 5.781 1.00 0.00 H new ATOM 0 HB2 PRO A 38 8.888 3.852 7.069 1.00 0.00 H new ATOM 0 HB3 PRO A 38 7.214 3.371 6.876 1.00 0.00 H new ATOM 0 HG2 PRO A 38 8.406 3.218 9.320 1.00 0.00 H new ATOM 0 HG3 PRO A 38 7.237 2.005 8.836 1.00 0.00 H new ATOM 0 HD2 PRO A 38 10.273 1.831 8.797 1.00 0.00 H new ATOM 0 HD3 PRO A 38 9.117 0.597 9.259 1.00 0.00 H new ATOM 608 N ASP A 39 10.910 2.172 5.339 1.00 0.00 N ATOM 609 CA ASP A 39 11.935 2.561 4.370 1.00 0.00 C ATOM 610 C ASP A 39 12.151 1.413 3.389 1.00 0.00 C ATOM 611 O ASP A 39 11.779 0.279 3.678 1.00 0.00 O ATOM 612 CB ASP A 39 13.260 2.890 5.073 1.00 0.00 C ATOM 613 CG ASP A 39 14.229 3.567 4.101 1.00 0.00 C ATOM 614 OD1 ASP A 39 15.183 2.928 3.609 1.00 0.00 O ATOM 615 OD2 ASP A 39 14.023 4.772 3.816 1.00 0.00 O ATOM 0 H ASP A 39 11.304 1.761 6.185 1.00 0.00 H new ATOM 0 HA ASP A 39 11.598 3.453 3.841 1.00 0.00 H new ATOM 0 HB2 ASP A 39 13.074 3.544 5.925 1.00 0.00 H new ATOM 0 HB3 ASP A 39 13.707 1.976 5.464 1.00 0.00 H new ATOM 620 N GLN A 40 12.761 1.673 2.227 1.00 0.00 N ATOM 621 CA GLN A 40 13.015 0.638 1.228 1.00 0.00 C ATOM 622 C GLN A 40 11.717 -0.062 0.804 1.00 0.00 C ATOM 623 O GLN A 40 11.757 -1.205 0.354 1.00 0.00 O ATOM 624 CB GLN A 40 14.132 -0.293 1.749 1.00 0.00 C ATOM 625 CG GLN A 40 14.731 -1.269 0.719 1.00 0.00 C ATOM 626 CD GLN A 40 16.093 -1.815 1.151 1.00 0.00 C ATOM 627 OE1 GLN A 40 16.800 -1.233 1.971 1.00 0.00 O ATOM 628 NE2 GLN A 40 16.500 -2.957 0.637 1.00 0.00 N ATOM 0 H GLN A 40 13.089 2.600 1.957 1.00 0.00 H new ATOM 0 HA GLN A 40 13.385 1.074 0.300 1.00 0.00 H new ATOM 0 HB2 GLN A 40 14.937 0.325 2.146 1.00 0.00 H new ATOM 0 HB3 GLN A 40 13.735 -0.873 2.582 1.00 0.00 H new ATOM 0 HG2 GLN A 40 14.042 -2.100 0.567 1.00 0.00 H new ATOM 0 HG3 GLN A 40 14.834 -0.761 -0.240 1.00 0.00 H new ATOM 0 HE21 GLN A 40 15.919 -3.446 -0.044 1.00 0.00 H new ATOM 0 HE22 GLN A 40 17.396 -3.353 0.920 1.00 0.00 H new ATOM 637 N ASN A 41 10.555 0.602 0.903 1.00 0.00 N ATOM 638 CA ASN A 41 9.281 0.002 0.530 1.00 0.00 C ATOM 639 C ASN A 41 8.180 1.060 0.407 1.00 0.00 C ATOM 640 O ASN A 41 8.245 2.071 1.103 1.00 0.00 O ATOM 641 CB ASN A 41 8.882 -0.974 1.652 1.00 0.00 C ATOM 642 CG ASN A 41 8.113 -2.156 1.110 1.00 0.00 C ATOM 643 OD1 ASN A 41 6.919 -2.065 0.853 1.00 0.00 O ATOM 644 ND2 ASN A 41 8.767 -3.288 0.911 1.00 0.00 N ATOM 0 H ASN A 41 10.480 1.561 1.242 1.00 0.00 H new ATOM 0 HA ASN A 41 9.391 -0.497 -0.433 1.00 0.00 H new ATOM 0 HB2 ASN A 41 9.777 -1.325 2.165 1.00 0.00 H new ATOM 0 HB3 ASN A 41 8.275 -0.452 2.391 1.00 0.00 H new ATOM 0 HD21 ASN A 41 8.277 -4.101 0.538 1.00 0.00 H new ATOM 0 HD22 ASN A 41 9.761 -3.348 1.130 1.00 0.00 H new ATOM 651 N ARG A 42 7.192 0.862 -0.473 1.00 0.00 N ATOM 652 CA ARG A 42 6.045 1.761 -0.666 1.00 0.00 C ATOM 653 C ARG A 42 4.950 1.059 -1.473 1.00 0.00 C ATOM 654 O ARG A 42 5.254 0.159 -2.261 1.00 0.00 O ATOM 655 CB ARG A 42 6.437 3.088 -1.346 1.00 0.00 C ATOM 656 CG ARG A 42 6.918 2.918 -2.793 1.00 0.00 C ATOM 657 CD ARG A 42 7.102 4.270 -3.483 1.00 0.00 C ATOM 658 NE ARG A 42 7.478 4.078 -4.893 1.00 0.00 N ATOM 659 CZ ARG A 42 7.303 4.952 -5.886 1.00 0.00 C ATOM 660 NH1 ARG A 42 6.837 6.172 -5.671 1.00 0.00 N ATOM 661 NH2 ARG A 42 7.620 4.611 -7.125 1.00 0.00 N ATOM 0 H ARG A 42 7.166 0.049 -1.089 1.00 0.00 H new ATOM 0 HA ARG A 42 5.667 2.009 0.326 1.00 0.00 H new ATOM 0 HB2 ARG A 42 5.579 3.760 -1.334 1.00 0.00 H new ATOM 0 HB3 ARG A 42 7.225 3.566 -0.764 1.00 0.00 H new ATOM 0 HG2 ARG A 42 7.861 2.372 -2.803 1.00 0.00 H new ATOM 0 HG3 ARG A 42 6.197 2.319 -3.350 1.00 0.00 H new ATOM 0 HD2 ARG A 42 6.179 4.846 -3.421 1.00 0.00 H new ATOM 0 HD3 ARG A 42 7.872 4.846 -2.970 1.00 0.00 H new ATOM 0 HE ARG A 42 7.916 3.189 -5.135 1.00 0.00 H new ATOM 0 HH11 ARG A 42 6.600 6.468 -4.724 1.00 0.00 H new ATOM 0 HH12 ARG A 42 6.715 6.816 -6.452 1.00 0.00 H new ATOM 0 HH21 ARG A 42 7.997 3.683 -7.318 1.00 0.00 H new ATOM 0 HH22 ARG A 42 7.488 5.276 -7.887 1.00 0.00 H new ATOM 675 N LEU A 43 3.701 1.514 -1.325 1.00 0.00 N ATOM 676 CA LEU A 43 2.537 0.977 -2.033 1.00 0.00 C ATOM 677 C LEU A 43 2.271 1.811 -3.291 1.00 0.00 C ATOM 678 O LEU A 43 2.621 2.993 -3.361 1.00 0.00 O ATOM 679 CB LEU A 43 1.263 1.059 -1.163 1.00 0.00 C ATOM 680 CG LEU A 43 1.018 -0.013 -0.085 1.00 0.00 C ATOM 681 CD1 LEU A 43 0.679 -1.366 -0.718 1.00 0.00 C ATOM 682 CD2 LEU A 43 2.153 -0.151 0.927 1.00 0.00 C ATOM 0 H LEU A 43 3.468 2.282 -0.696 1.00 0.00 H new ATOM 0 HA LEU A 43 2.756 -0.063 -2.277 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.267 2.029 -0.666 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.405 1.050 -1.836 1.00 0.00 H new ATOM 0 HG LEU A 43 0.157 0.338 0.484 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.511 -2.103 0.067 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -0.222 -1.269 -1.323 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.507 -1.690 -1.349 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.902 -0.926 1.651 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.072 -0.423 0.408 1.00 0.00 H new ATOM 0 HD23 LEU A 43 2.296 0.797 1.445 1.00 0.00 H new ATOM 694 N ILE A 44 1.555 1.225 -4.251 1.00 0.00 N ATOM 695 CA ILE A 44 1.149 1.803 -5.530 1.00 0.00 C ATOM 696 C ILE A 44 -0.281 1.302 -5.803 1.00 0.00 C ATOM 697 O ILE A 44 -0.631 0.247 -5.291 1.00 0.00 O ATOM 698 CB ILE A 44 2.116 1.297 -6.631 1.00 0.00 C ATOM 699 CG1 ILE A 44 3.609 1.596 -6.383 1.00 0.00 C ATOM 700 CG2 ILE A 44 1.744 1.726 -8.060 1.00 0.00 C ATOM 701 CD1 ILE A 44 4.005 3.076 -6.420 1.00 0.00 C ATOM 0 H ILE A 44 1.221 0.267 -4.147 1.00 0.00 H new ATOM 0 HA ILE A 44 1.177 2.893 -5.517 1.00 0.00 H new ATOM 0 HB ILE A 44 1.978 0.219 -6.552 1.00 0.00 H new ATOM 0 HG12 ILE A 44 3.886 1.189 -5.410 1.00 0.00 H new ATOM 0 HG13 ILE A 44 4.197 1.063 -7.130 1.00 0.00 H new ATOM 0 HG21 ILE A 44 2.476 1.326 -8.762 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.755 1.342 -8.309 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.737 2.814 -8.123 1.00 0.00 H new ATOM 0 HD11 ILE A 44 5.075 3.171 -6.234 1.00 0.00 H new ATOM 0 HD12 ILE A 44 3.769 3.491 -7.400 1.00 0.00 H new ATOM 0 HD13 ILE A 44 3.453 3.620 -5.653 1.00 0.00 H new ATOM 713 N PHE A 45 -1.093 2.010 -6.594 1.00 0.00 N ATOM 714 CA PHE A 45 -2.469 1.667 -6.997 1.00 0.00 C ATOM 715 C PHE A 45 -2.531 2.033 -8.480 1.00 0.00 C ATOM 716 O PHE A 45 -2.718 3.202 -8.838 1.00 0.00 O ATOM 717 CB PHE A 45 -3.534 2.443 -6.202 1.00 0.00 C ATOM 718 CG PHE A 45 -4.893 2.429 -6.880 1.00 0.00 C ATOM 719 CD1 PHE A 45 -5.462 3.625 -7.361 1.00 0.00 C ATOM 720 CD2 PHE A 45 -5.539 1.203 -7.118 1.00 0.00 C ATOM 721 CE1 PHE A 45 -6.665 3.593 -8.086 1.00 0.00 C ATOM 722 CE2 PHE A 45 -6.724 1.169 -7.875 1.00 0.00 C ATOM 723 CZ PHE A 45 -7.288 2.363 -8.357 1.00 0.00 C ATOM 0 H PHE A 45 -0.791 2.896 -6.999 1.00 0.00 H new ATOM 0 HA PHE A 45 -2.685 0.616 -6.803 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -3.625 2.011 -5.205 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -3.206 3.475 -6.074 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -4.972 4.569 -7.172 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -5.126 0.288 -6.720 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -7.111 4.513 -8.435 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -7.202 0.224 -8.086 1.00 0.00 H new ATOM 0 HZ PHE A 45 -8.200 2.335 -8.935 1.00 0.00 H new ATOM 733 N ALA A 46 -2.404 1.028 -9.343 1.00 0.00 N ATOM 734 CA ALA A 46 -2.417 1.118 -10.792 1.00 0.00 C ATOM 735 C ALA A 46 -1.517 2.278 -11.224 1.00 0.00 C ATOM 736 O ALA A 46 -1.965 3.298 -11.754 1.00 0.00 O ATOM 737 CB ALA A 46 -3.867 1.169 -11.281 1.00 0.00 C ATOM 0 H ALA A 46 -2.281 0.068 -9.022 1.00 0.00 H new ATOM 0 HA ALA A 46 -1.993 0.236 -11.272 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.882 1.237 -12.369 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -4.389 0.265 -10.966 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -4.364 2.041 -10.856 1.00 0.00 H new ATOM 743 N GLY A 47 -0.239 2.157 -10.876 1.00 0.00 N ATOM 744 CA GLY A 47 0.805 3.121 -11.164 1.00 0.00 C ATOM 745 C GLY A 47 0.813 4.361 -10.262 1.00 0.00 C ATOM 746 O GLY A 47 1.859 5.013 -10.171 1.00 0.00 O ATOM 0 H GLY A 47 0.107 1.346 -10.363 1.00 0.00 H new ATOM 0 HA2 GLY A 47 1.771 2.623 -11.079 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.703 3.445 -12.200 1.00 0.00 H new ATOM 750 N LYS A 48 -0.293 4.714 -9.589 1.00 0.00 N ATOM 751 CA LYS A 48 -0.343 5.886 -8.721 1.00 0.00 C ATOM 752 C LYS A 48 0.568 5.638 -7.535 1.00 0.00 C ATOM 753 O LYS A 48 0.469 4.600 -6.890 1.00 0.00 O ATOM 754 CB LYS A 48 -1.779 6.212 -8.288 1.00 0.00 C ATOM 755 CG LYS A 48 -1.853 7.584 -7.585 1.00 0.00 C ATOM 756 CD LYS A 48 -3.013 8.449 -8.091 1.00 0.00 C ATOM 757 CE LYS A 48 -2.736 8.953 -9.516 1.00 0.00 C ATOM 758 NZ LYS A 48 -3.910 9.640 -10.083 1.00 0.00 N ATOM 0 H LYS A 48 -1.170 4.194 -9.635 1.00 0.00 H new ATOM 0 HA LYS A 48 0.006 6.763 -9.267 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -2.433 6.212 -9.160 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -2.144 5.436 -7.615 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -1.961 7.432 -6.511 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -0.915 8.117 -7.738 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -3.937 7.870 -8.078 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -3.159 9.297 -7.422 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -1.885 9.634 -9.503 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -2.462 8.113 -10.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -3.689 9.968 -11.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -4.714 8.982 -10.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -4.156 10.456 -9.487 1.00 0.00 H new ATOM 772 N GLN A 49 1.436 6.600 -7.261 1.00 0.00 N ATOM 773 CA GLN A 49 2.414 6.568 -6.191 1.00 0.00 C ATOM 774 C GLN A 49 1.665 6.902 -4.903 1.00 0.00 C ATOM 775 O GLN A 49 1.073 7.979 -4.827 1.00 0.00 O ATOM 776 CB GLN A 49 3.531 7.595 -6.479 1.00 0.00 C ATOM 777 CG GLN A 49 4.167 7.501 -7.884 1.00 0.00 C ATOM 778 CD GLN A 49 3.443 8.356 -8.933 1.00 0.00 C ATOM 779 OE1 GLN A 49 3.651 9.566 -9.014 1.00 0.00 O ATOM 780 NE2 GLN A 49 2.577 7.778 -9.753 1.00 0.00 N ATOM 0 H GLN A 49 1.477 7.462 -7.805 1.00 0.00 H new ATOM 0 HA GLN A 49 2.890 5.591 -6.104 1.00 0.00 H new ATOM 0 HB2 GLN A 49 3.123 8.597 -6.349 1.00 0.00 H new ATOM 0 HB3 GLN A 49 4.317 7.472 -5.733 1.00 0.00 H new ATOM 0 HG2 GLN A 49 5.209 7.814 -7.826 1.00 0.00 H new ATOM 0 HG3 GLN A 49 4.165 6.460 -8.208 1.00 0.00 H new ATOM 0 HE21 GLN A 49 2.404 6.775 -9.687 1.00 0.00 H new ATOM 0 HE22 GLN A 49 2.084 8.336 -10.450 1.00 0.00 H new ATOM 789 N LEU A 50 1.661 6.002 -3.914 1.00 0.00 N ATOM 790 CA LEU A 50 0.951 6.223 -2.655 1.00 0.00 C ATOM 791 C LEU A 50 1.934 6.459 -1.520 1.00 0.00 C ATOM 792 O LEU A 50 3.024 5.869 -1.477 1.00 0.00 O ATOM 793 CB LEU A 50 0.053 5.019 -2.317 1.00 0.00 C ATOM 794 CG LEU A 50 -0.888 4.575 -3.453 1.00 0.00 C ATOM 795 CD1 LEU A 50 -1.673 3.340 -3.018 1.00 0.00 C ATOM 796 CD2 LEU A 50 -1.866 5.677 -3.866 1.00 0.00 C ATOM 0 H LEU A 50 2.147 5.107 -3.965 1.00 0.00 H new ATOM 0 HA LEU A 50 0.326 7.108 -2.775 1.00 0.00 H new ATOM 0 HB2 LEU A 50 0.687 4.177 -2.040 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.548 5.266 -1.442 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.265 4.346 -4.317 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.338 3.029 -3.824 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.980 2.531 -2.786 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.263 3.577 -2.133 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.506 5.313 -4.669 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.481 5.957 -3.011 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.308 6.547 -4.212 1.00 0.00 H new ATOM 808 N GLU A 51 1.543 7.304 -0.574 1.00 0.00 N ATOM 809 CA GLU A 51 2.335 7.642 0.589 1.00 0.00 C ATOM 810 C GLU A 51 1.438 8.221 1.675 1.00 0.00 C ATOM 811 O GLU A 51 0.259 8.508 1.451 1.00 0.00 O ATOM 812 CB GLU A 51 3.439 8.633 0.202 1.00 0.00 C ATOM 813 CG GLU A 51 2.932 10.025 -0.185 1.00 0.00 C ATOM 814 CD GLU A 51 3.746 10.586 -1.354 1.00 0.00 C ATOM 815 OE1 GLU A 51 4.806 11.198 -1.101 1.00 0.00 O ATOM 816 OE2 GLU A 51 3.407 10.371 -2.545 1.00 0.00 O ATOM 0 H GLU A 51 0.642 7.782 -0.601 1.00 0.00 H new ATOM 0 HA GLU A 51 2.808 6.741 0.979 1.00 0.00 H new ATOM 0 HB2 GLU A 51 4.132 8.731 1.038 1.00 0.00 H new ATOM 0 HB3 GLU A 51 4.004 8.220 -0.634 1.00 0.00 H new ATOM 0 HG2 GLU A 51 1.879 9.971 -0.460 1.00 0.00 H new ATOM 0 HG3 GLU A 51 3.004 10.696 0.671 1.00 0.00 H new ATOM 823 N ASP A 52 2.007 8.330 2.869 1.00 0.00 N ATOM 824 CA ASP A 52 1.359 8.871 4.047 1.00 0.00 C ATOM 825 C ASP A 52 1.081 10.359 3.852 1.00 0.00 C ATOM 826 O ASP A 52 1.778 11.028 3.093 1.00 0.00 O ATOM 827 CB ASP A 52 2.193 8.574 5.303 1.00 0.00 C ATOM 828 CG ASP A 52 3.680 8.925 5.173 1.00 0.00 C ATOM 829 OD1 ASP A 52 4.164 9.852 5.862 1.00 0.00 O ATOM 830 OD2 ASP A 52 4.406 8.191 4.451 1.00 0.00 O ATOM 0 H ASP A 52 2.967 8.032 3.045 1.00 0.00 H new ATOM 0 HA ASP A 52 0.395 8.384 4.194 1.00 0.00 H new ATOM 0 HB2 ASP A 52 1.773 9.128 6.143 1.00 0.00 H new ATOM 0 HB3 ASP A 52 2.102 7.515 5.543 1.00 0.00 H new ATOM 835 N GLY A 53 0.052 10.871 4.535 1.00 0.00 N ATOM 836 CA GLY A 53 -0.398 12.262 4.462 1.00 0.00 C ATOM 837 C GLY A 53 -1.788 12.377 3.816 1.00 0.00 C ATOM 838 O GLY A 53 -2.340 13.478 3.710 1.00 0.00 O ATOM 0 H GLY A 53 -0.508 10.308 5.175 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -0.426 12.688 5.465 1.00 0.00 H new ATOM 0 HA3 GLY A 53 0.320 12.847 3.887 1.00 0.00 H new ATOM 842 N ARG A 54 -2.369 11.252 3.378 1.00 0.00 N ATOM 843 CA ARG A 54 -3.668 11.122 2.733 1.00 0.00 C ATOM 844 C ARG A 54 -4.414 9.885 3.230 1.00 0.00 C ATOM 845 O ARG A 54 -3.923 9.164 4.102 1.00 0.00 O ATOM 846 CB ARG A 54 -3.455 10.979 1.233 1.00 0.00 C ATOM 847 CG ARG A 54 -2.470 11.974 0.623 1.00 0.00 C ATOM 848 CD ARG A 54 -2.950 12.254 -0.785 1.00 0.00 C ATOM 849 NE ARG A 54 -1.889 12.872 -1.576 1.00 0.00 N ATOM 850 CZ ARG A 54 -1.905 13.194 -2.864 1.00 0.00 C ATOM 851 NH1 ARG A 54 -2.979 12.952 -3.610 1.00 0.00 N ATOM 852 NH2 ARG A 54 -0.831 13.771 -3.388 1.00 0.00 N ATOM 0 H ARG A 54 -1.905 10.349 3.475 1.00 0.00 H new ATOM 0 HA ARG A 54 -4.259 12.007 2.969 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -3.102 9.969 1.026 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -4.417 11.090 0.732 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -2.434 12.892 1.209 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -1.461 11.563 0.613 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -3.269 11.325 -1.258 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -3.819 12.912 -0.755 1.00 0.00 H new ATOM 0 HE ARG A 54 -1.026 13.083 -1.075 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -3.801 12.515 -3.194 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -2.981 13.203 -4.599 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -0.016 13.958 -2.804 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -0.820 14.027 -4.375 1.00 0.00 H new ATOM 866 N THR A 55 -5.569 9.623 2.626 1.00 0.00 N ATOM 867 CA THR A 55 -6.454 8.496 2.888 1.00 0.00 C ATOM 868 C THR A 55 -6.716 7.749 1.590 1.00 0.00 C ATOM 869 O THR A 55 -6.316 8.183 0.505 1.00 0.00 O ATOM 870 CB THR A 55 -7.802 8.964 3.460 1.00 0.00 C ATOM 871 OG1 THR A 55 -8.363 9.999 2.671 1.00 0.00 O ATOM 872 CG2 THR A 55 -7.720 9.414 4.900 1.00 0.00 C ATOM 0 H THR A 55 -5.934 10.232 1.894 1.00 0.00 H new ATOM 0 HA THR A 55 -5.967 7.849 3.618 1.00 0.00 H new ATOM 0 HB THR A 55 -8.450 8.088 3.431 1.00 0.00 H new ATOM 0 HG1 THR A 55 -9.220 10.276 3.057 1.00 0.00 H new ATOM 0 HG21 THR A 55 -8.706 9.731 5.239 1.00 0.00 H new ATOM 0 HG22 THR A 55 -7.371 8.588 5.520 1.00 0.00 H new ATOM 0 HG23 THR A 55 -7.023 10.248 4.981 1.00 0.00 H new ATOM 880 N LEU A 56 -7.425 6.627 1.700 1.00 0.00 N ATOM 881 CA LEU A 56 -7.787 5.818 0.550 1.00 0.00 C ATOM 882 C LEU A 56 -8.700 6.623 -0.384 1.00 0.00 C ATOM 883 O LEU A 56 -8.594 6.505 -1.608 1.00 0.00 O ATOM 884 CB LEU A 56 -8.506 4.545 1.033 1.00 0.00 C ATOM 885 CG LEU A 56 -7.882 3.275 0.423 1.00 0.00 C ATOM 886 CD1 LEU A 56 -7.110 2.496 1.487 1.00 0.00 C ATOM 887 CD2 LEU A 56 -8.960 2.412 -0.223 1.00 0.00 C ATOM 0 H LEU A 56 -7.762 6.258 2.589 1.00 0.00 H new ATOM 0 HA LEU A 56 -6.889 5.536 0.001 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -8.457 4.489 2.120 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -9.561 4.598 0.764 1.00 0.00 H new ATOM 0 HG LEU A 56 -7.176 3.568 -0.354 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -6.676 1.602 1.040 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -6.315 3.122 1.891 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -7.788 2.207 2.290 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -8.504 1.519 -0.649 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -9.693 2.121 0.530 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -9.455 2.978 -1.012 1.00 0.00 H new ATOM 899 N SER A 57 -9.587 7.452 0.185 1.00 0.00 N ATOM 900 CA SER A 57 -10.512 8.255 -0.605 1.00 0.00 C ATOM 901 C SER A 57 -9.784 9.387 -1.348 1.00 0.00 C ATOM 902 O SER A 57 -10.181 9.706 -2.473 1.00 0.00 O ATOM 903 CB SER A 57 -11.662 8.762 0.280 1.00 0.00 C ATOM 904 OG SER A 57 -12.925 8.591 -0.342 1.00 0.00 O ATOM 0 H SER A 57 -9.678 7.579 1.193 1.00 0.00 H new ATOM 0 HA SER A 57 -10.951 7.626 -1.379 1.00 0.00 H new ATOM 0 HB2 SER A 57 -11.651 8.229 1.230 1.00 0.00 H new ATOM 0 HB3 SER A 57 -11.508 9.817 0.505 1.00 0.00 H new ATOM 0 HG SER A 57 -13.630 8.923 0.252 1.00 0.00 H new ATOM 910 N ASP A 58 -8.715 9.972 -0.786 1.00 0.00 N ATOM 911 CA ASP A 58 -7.955 11.058 -1.438 1.00 0.00 C ATOM 912 C ASP A 58 -7.210 10.546 -2.670 1.00 0.00 C ATOM 913 O ASP A 58 -6.800 11.345 -3.515 1.00 0.00 O ATOM 914 CB ASP A 58 -6.840 11.622 -0.551 1.00 0.00 C ATOM 915 CG ASP A 58 -7.261 12.532 0.602 1.00 0.00 C ATOM 916 OD1 ASP A 58 -6.537 12.543 1.627 1.00 0.00 O ATOM 917 OD2 ASP A 58 -8.245 13.296 0.485 1.00 0.00 O ATOM 0 H ASP A 58 -8.351 9.709 0.130 1.00 0.00 H new ATOM 0 HA ASP A 58 -8.708 11.812 -1.668 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -6.283 10.783 -0.134 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -6.151 12.178 -1.187 1.00 0.00 H new ATOM 922 N TYR A 59 -6.993 9.231 -2.776 1.00 0.00 N ATOM 923 CA TYR A 59 -6.292 8.647 -3.907 1.00 0.00 C ATOM 924 C TYR A 59 -7.255 7.961 -4.886 1.00 0.00 C ATOM 925 O TYR A 59 -6.803 7.459 -5.919 1.00 0.00 O ATOM 926 CB TYR A 59 -5.208 7.690 -3.401 1.00 0.00 C ATOM 927 CG TYR A 59 -3.906 8.371 -3.029 1.00 0.00 C ATOM 928 CD1 TYR A 59 -3.118 8.956 -4.039 1.00 0.00 C ATOM 929 CD2 TYR A 59 -3.448 8.367 -1.699 1.00 0.00 C ATOM 930 CE1 TYR A 59 -1.863 9.511 -3.735 1.00 0.00 C ATOM 931 CE2 TYR A 59 -2.189 8.909 -1.390 1.00 0.00 C ATOM 932 CZ TYR A 59 -1.390 9.477 -2.405 1.00 0.00 C ATOM 933 OH TYR A 59 -0.176 9.992 -2.084 1.00 0.00 O ATOM 0 H TYR A 59 -7.299 8.551 -2.080 1.00 0.00 H new ATOM 0 HA TYR A 59 -5.811 9.447 -4.470 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -5.588 7.156 -2.530 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -5.009 6.944 -4.171 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -3.481 8.978 -5.056 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -4.063 7.948 -0.916 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -1.264 9.960 -4.514 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -1.831 8.891 -0.371 1.00 0.00 H new ATOM 0 HH TYR A 59 -0.195 10.324 -1.162 1.00 0.00 H new ATOM 943 N ASN A 60 -8.565 7.980 -4.602 1.00 0.00 N ATOM 944 CA ASN A 60 -9.649 7.361 -5.370 1.00 0.00 C ATOM 945 C ASN A 60 -9.256 5.941 -5.745 1.00 0.00 C ATOM 946 O ASN A 60 -8.959 5.609 -6.895 1.00 0.00 O ATOM 947 CB ASN A 60 -10.135 8.194 -6.552 1.00 0.00 C ATOM 948 CG ASN A 60 -11.551 7.833 -6.908 1.00 0.00 C ATOM 949 OD1 ASN A 60 -11.904 6.709 -7.258 1.00 0.00 O ATOM 950 ND2 ASN A 60 -12.392 8.824 -6.859 1.00 0.00 N ATOM 0 H ASN A 60 -8.916 8.461 -3.774 1.00 0.00 H new ATOM 0 HA ASN A 60 -10.528 7.317 -4.727 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -10.075 9.254 -6.306 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -9.485 8.029 -7.411 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -13.369 8.677 -7.114 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -12.075 9.748 -6.565 1.00 0.00 H new ATOM 957 N ILE A 61 -9.208 5.132 -4.697 1.00 0.00 N ATOM 958 CA ILE A 61 -8.851 3.725 -4.714 1.00 0.00 C ATOM 959 C ILE A 61 -10.148 2.965 -4.468 1.00 0.00 C ATOM 960 O ILE A 61 -10.719 3.049 -3.377 1.00 0.00 O ATOM 961 CB ILE A 61 -7.764 3.436 -3.646 1.00 0.00 C ATOM 962 CG1 ILE A 61 -6.494 4.277 -3.901 1.00 0.00 C ATOM 963 CG2 ILE A 61 -7.426 1.934 -3.609 1.00 0.00 C ATOM 964 CD1 ILE A 61 -5.389 4.099 -2.855 1.00 0.00 C ATOM 0 H ILE A 61 -9.431 5.462 -3.758 1.00 0.00 H new ATOM 0 HA ILE A 61 -8.414 3.412 -5.663 1.00 0.00 H new ATOM 0 HB ILE A 61 -8.164 3.723 -2.673 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -6.093 4.018 -4.881 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -6.773 5.330 -3.939 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -6.662 1.752 -2.854 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -8.323 1.365 -3.363 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -7.054 1.621 -4.585 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -4.537 4.727 -3.115 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -5.767 4.388 -1.874 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -5.076 3.055 -2.830 1.00 0.00 H new ATOM 976 N GLN A 62 -10.671 2.293 -5.495 1.00 0.00 N ATOM 977 CA GLN A 62 -11.897 1.517 -5.347 1.00 0.00 C ATOM 978 C GLN A 62 -11.570 0.291 -4.489 1.00 0.00 C ATOM 979 O GLN A 62 -10.398 -0.067 -4.309 1.00 0.00 O ATOM 980 CB GLN A 62 -12.462 1.058 -6.705 1.00 0.00 C ATOM 981 CG GLN A 62 -12.780 2.190 -7.696 1.00 0.00 C ATOM 982 CD GLN A 62 -11.515 2.783 -8.310 1.00 0.00 C ATOM 983 OE1 GLN A 62 -10.702 2.077 -8.891 1.00 0.00 O ATOM 984 NE2 GLN A 62 -11.272 4.066 -8.129 1.00 0.00 N ATOM 0 H GLN A 62 -10.266 2.272 -6.431 1.00 0.00 H new ATOM 0 HA GLN A 62 -12.657 2.143 -4.880 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -11.745 0.381 -7.169 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -13.372 0.485 -6.527 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -13.423 1.808 -8.489 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -13.337 2.975 -7.184 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -11.953 4.651 -7.644 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -10.403 4.474 -8.474 1.00 0.00 H new ATOM 993 N LYS A 63 -12.590 -0.346 -3.917 1.00 0.00 N ATOM 994 CA LYS A 63 -12.359 -1.538 -3.112 1.00 0.00 C ATOM 995 C LYS A 63 -11.941 -2.671 -4.052 1.00 0.00 C ATOM 996 O LYS A 63 -12.132 -2.595 -5.269 1.00 0.00 O ATOM 997 CB LYS A 63 -13.602 -1.887 -2.275 1.00 0.00 C ATOM 998 CG LYS A 63 -14.864 -2.133 -3.113 1.00 0.00 C ATOM 999 CD LYS A 63 -16.026 -2.661 -2.269 1.00 0.00 C ATOM 1000 CE LYS A 63 -17.268 -2.797 -3.153 1.00 0.00 C ATOM 1001 NZ LYS A 63 -18.374 -3.503 -2.477 1.00 0.00 N ATOM 0 H LYS A 63 -13.566 -0.062 -3.995 1.00 0.00 H new ATOM 0 HA LYS A 63 -11.558 -1.366 -2.393 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -13.391 -2.777 -1.683 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -13.796 -1.076 -1.573 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -15.163 -1.204 -3.598 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -14.639 -2.847 -3.905 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -15.767 -3.626 -1.835 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -16.227 -1.982 -1.440 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -17.605 -1.805 -3.453 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -17.003 -3.333 -4.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -19.189 -3.567 -3.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -18.065 -4.460 -2.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -18.648 -2.980 -1.621 1.00 0.00 H new ATOM 1015 N GLU A 64 -11.368 -3.727 -3.484 1.00 0.00 N ATOM 1016 CA GLU A 64 -10.913 -4.920 -4.188 1.00 0.00 C ATOM 1017 C GLU A 64 -9.930 -4.593 -5.332 1.00 0.00 C ATOM 1018 O GLU A 64 -9.866 -5.318 -6.330 1.00 0.00 O ATOM 1019 CB GLU A 64 -12.149 -5.745 -4.605 1.00 0.00 C ATOM 1020 CG GLU A 64 -13.007 -6.158 -3.398 1.00 0.00 C ATOM 1021 CD GLU A 64 -14.301 -6.840 -3.832 1.00 0.00 C ATOM 1022 OE1 GLU A 64 -15.366 -6.175 -3.868 1.00 0.00 O ATOM 1023 OE2 GLU A 64 -14.244 -8.061 -4.111 1.00 0.00 O ATOM 0 H GLU A 64 -11.201 -3.777 -2.479 1.00 0.00 H new ATOM 0 HA GLU A 64 -10.315 -5.543 -3.523 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -12.756 -5.162 -5.297 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -11.824 -6.637 -5.140 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -12.436 -6.833 -2.760 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -13.243 -5.277 -2.801 1.00 0.00 H new ATOM 1030 N SER A 65 -9.193 -3.480 -5.208 1.00 0.00 N ATOM 1031 CA SER A 65 -8.191 -2.977 -6.150 1.00 0.00 C ATOM 1032 C SER A 65 -6.951 -3.891 -6.174 1.00 0.00 C ATOM 1033 O SER A 65 -6.973 -4.958 -5.556 1.00 0.00 O ATOM 1034 CB SER A 65 -7.893 -1.503 -5.832 1.00 0.00 C ATOM 1035 OG SER A 65 -8.020 -1.213 -4.456 1.00 0.00 O ATOM 0 H SER A 65 -9.289 -2.871 -4.395 1.00 0.00 H new ATOM 0 HA SER A 65 -8.575 -3.004 -7.170 1.00 0.00 H new ATOM 0 HB2 SER A 65 -6.882 -1.261 -6.160 1.00 0.00 H new ATOM 0 HB3 SER A 65 -8.573 -0.867 -6.399 1.00 0.00 H new ATOM 0 HG SER A 65 -8.742 -0.564 -4.324 1.00 0.00 H new ATOM 1041 N THR A 66 -5.887 -3.552 -6.918 1.00 0.00 N ATOM 1042 CA THR A 66 -4.705 -4.393 -6.992 1.00 0.00 C ATOM 1043 C THR A 66 -3.561 -3.424 -6.866 1.00 0.00 C ATOM 1044 O THR A 66 -3.178 -2.761 -7.835 1.00 0.00 O ATOM 1045 CB THR A 66 -4.614 -5.227 -8.288 1.00 0.00 C ATOM 1046 OG1 THR A 66 -5.679 -4.981 -9.201 1.00 0.00 O ATOM 1047 CG2 THR A 66 -4.475 -6.722 -7.988 1.00 0.00 C ATOM 0 H THR A 66 -5.831 -2.699 -7.474 1.00 0.00 H new ATOM 0 HA THR A 66 -4.711 -5.151 -6.209 1.00 0.00 H new ATOM 0 HB THR A 66 -3.705 -4.893 -8.789 1.00 0.00 H new ATOM 0 HG1 THR A 66 -5.561 -5.538 -9.999 1.00 0.00 H new ATOM 0 HG21 THR A 66 -4.414 -7.277 -8.924 1.00 0.00 H new ATOM 0 HG22 THR A 66 -3.570 -6.893 -7.405 1.00 0.00 H new ATOM 0 HG23 THR A 66 -5.342 -7.061 -7.421 1.00 0.00 H new ATOM 1055 N LEU A 67 -3.143 -3.234 -5.630 1.00 0.00 N ATOM 1056 CA LEU A 67 -2.053 -2.360 -5.305 1.00 0.00 C ATOM 1057 C LEU A 67 -0.779 -3.144 -5.607 1.00 0.00 C ATOM 1058 O LEU A 67 -0.810 -4.366 -5.784 1.00 0.00 O ATOM 1059 CB LEU A 67 -2.175 -1.903 -3.841 1.00 0.00 C ATOM 1060 CG LEU A 67 -3.200 -0.760 -3.669 1.00 0.00 C ATOM 1061 CD1 LEU A 67 -4.645 -1.174 -3.974 1.00 0.00 C ATOM 1062 CD2 LEU A 67 -3.133 -0.190 -2.254 1.00 0.00 C ATOM 0 H LEU A 67 -3.561 -3.691 -4.820 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.048 -1.441 -5.891 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.470 -2.750 -3.221 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.200 -1.571 -3.483 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.921 -0.003 -4.402 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.306 -0.319 -3.831 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.715 -1.518 -5.006 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -4.942 -1.979 -3.302 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.862 0.614 -2.151 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.357 -0.977 -1.534 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -2.133 0.200 -2.066 1.00 0.00 H new ATOM 1074 N HIS A 68 0.343 -2.452 -5.689 1.00 0.00 N ATOM 1075 CA HIS A 68 1.642 -3.039 -5.963 1.00 0.00 C ATOM 1076 C HIS A 68 2.589 -2.564 -4.871 1.00 0.00 C ATOM 1077 O HIS A 68 2.304 -1.575 -4.185 1.00 0.00 O ATOM 1078 CB HIS A 68 2.097 -2.641 -7.374 1.00 0.00 C ATOM 1079 CG HIS A 68 3.135 -3.551 -7.965 1.00 0.00 C ATOM 1080 ND1 HIS A 68 4.480 -3.447 -7.719 1.00 0.00 N ATOM 1081 CD2 HIS A 68 2.933 -4.586 -8.838 1.00 0.00 C ATOM 1082 CE1 HIS A 68 5.082 -4.446 -8.385 1.00 0.00 C ATOM 1083 NE2 HIS A 68 4.187 -5.141 -9.110 1.00 0.00 N ATOM 0 H HIS A 68 0.377 -1.440 -5.564 1.00 0.00 H new ATOM 0 HA HIS A 68 1.615 -4.129 -5.949 1.00 0.00 H new ATOM 0 HB2 HIS A 68 1.228 -2.623 -8.032 1.00 0.00 H new ATOM 0 HB3 HIS A 68 2.494 -1.627 -7.343 1.00 0.00 H new ATOM 0 HD2 HIS A 68 1.985 -4.912 -9.240 1.00 0.00 H new ATOM 0 HE1 HIS A 68 6.139 -4.662 -8.344 1.00 0.00 H new ATOM 0 HE2 HIS A 68 4.385 -5.921 -9.736 1.00 0.00 H new ATOM 1090 N LEU A 69 3.699 -3.267 -4.700 1.00 0.00 N ATOM 1091 CA LEU A 69 4.726 -2.976 -3.723 1.00 0.00 C ATOM 1092 C LEU A 69 6.020 -2.880 -4.484 1.00 0.00 C ATOM 1093 O LEU A 69 6.383 -3.775 -5.240 1.00 0.00 O ATOM 1094 CB LEU A 69 4.831 -4.075 -2.667 1.00 0.00 C ATOM 1095 CG LEU A 69 3.682 -4.028 -1.656 1.00 0.00 C ATOM 1096 CD1 LEU A 69 3.552 -5.374 -0.945 1.00 0.00 C ATOM 1097 CD2 LEU A 69 3.900 -2.915 -0.632 1.00 0.00 C ATOM 0 H LEU A 69 3.913 -4.089 -5.264 1.00 0.00 H new ATOM 0 HA LEU A 69 4.490 -2.052 -3.195 1.00 0.00 H new ATOM 0 HB2 LEU A 69 4.838 -5.048 -3.159 1.00 0.00 H new ATOM 0 HB3 LEU A 69 5.780 -3.978 -2.139 1.00 0.00 H new ATOM 0 HG LEU A 69 2.760 -3.819 -2.198 1.00 0.00 H new ATOM 0 HD11 LEU A 69 2.732 -5.329 -0.228 1.00 0.00 H new ATOM 0 HD12 LEU A 69 3.351 -6.155 -1.678 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.480 -5.599 -0.420 1.00 0.00 H new ATOM 0 HD21 LEU A 69 3.070 -2.903 0.075 1.00 0.00 H new ATOM 0 HD22 LEU A 69 4.832 -3.092 -0.095 1.00 0.00 H new ATOM 0 HD23 LEU A 69 3.954 -1.955 -1.145 1.00 0.00 H new ATOM 1109 N VAL A 70 6.689 -1.761 -4.285 1.00 0.00 N ATOM 1110 CA VAL A 70 7.957 -1.430 -4.893 1.00 0.00 C ATOM 1111 C VAL A 70 8.812 -0.809 -3.798 1.00 0.00 C ATOM 1112 O VAL A 70 8.365 -0.658 -2.655 1.00 0.00 O ATOM 1113 CB VAL A 70 7.737 -0.495 -6.102 1.00 0.00 C ATOM 1114 CG1 VAL A 70 7.020 -1.195 -7.256 1.00 0.00 C ATOM 1115 CG2 VAL A 70 6.944 0.763 -5.723 1.00 0.00 C ATOM 0 H VAL A 70 6.345 -1.026 -3.666 1.00 0.00 H new ATOM 0 HA VAL A 70 8.469 -2.306 -5.292 1.00 0.00 H new ATOM 0 HB VAL A 70 8.736 -0.206 -6.428 1.00 0.00 H new ATOM 0 HG11 VAL A 70 6.889 -0.495 -8.081 1.00 0.00 H new ATOM 0 HG12 VAL A 70 7.614 -2.045 -7.592 1.00 0.00 H new ATOM 0 HG13 VAL A 70 6.044 -1.545 -6.919 1.00 0.00 H new ATOM 0 HG21 VAL A 70 6.814 1.390 -6.605 1.00 0.00 H new ATOM 0 HG22 VAL A 70 5.967 0.474 -5.336 1.00 0.00 H new ATOM 0 HG23 VAL A 70 7.487 1.319 -4.959 1.00 0.00 H new ATOM 1125 N LEU A 71 10.044 -0.446 -4.126 1.00 0.00 N ATOM 1126 CA LEU A 71 10.961 0.170 -3.192 1.00 0.00 C ATOM 1127 C LEU A 71 11.640 1.363 -3.835 1.00 0.00 C ATOM 1128 O LEU A 71 11.510 1.628 -5.033 1.00 0.00 O ATOM 1129 CB LEU A 71 11.957 -0.875 -2.662 1.00 0.00 C ATOM 1130 CG LEU A 71 12.866 -1.590 -3.681 1.00 0.00 C ATOM 1131 CD1 LEU A 71 14.012 -0.721 -4.210 1.00 0.00 C ATOM 1132 CD2 LEU A 71 13.464 -2.814 -2.987 1.00 0.00 C ATOM 0 H LEU A 71 10.434 -0.575 -5.060 1.00 0.00 H new ATOM 0 HA LEU A 71 10.412 0.548 -2.330 1.00 0.00 H new ATOM 0 HB2 LEU A 71 12.598 -0.384 -1.930 1.00 0.00 H new ATOM 0 HB3 LEU A 71 11.389 -1.637 -2.129 1.00 0.00 H new ATOM 0 HG LEU A 71 12.251 -1.848 -4.543 1.00 0.00 H new ATOM 0 HD11 LEU A 71 14.606 -1.295 -4.921 1.00 0.00 H new ATOM 0 HD12 LEU A 71 13.602 0.159 -4.706 1.00 0.00 H new ATOM 0 HD13 LEU A 71 14.644 -0.408 -3.379 1.00 0.00 H new ATOM 0 HD21 LEU A 71 14.115 -3.345 -3.682 1.00 0.00 H new ATOM 0 HD22 LEU A 71 14.043 -2.494 -2.120 1.00 0.00 H new ATOM 0 HD23 LEU A 71 12.662 -3.477 -2.663 1.00 0.00 H new ATOM 1144 N ARG A 72 12.331 2.106 -2.985 1.00 0.00 N ATOM 1145 CA ARG A 72 13.120 3.287 -3.297 1.00 0.00 C ATOM 1146 C ARG A 72 14.264 3.273 -2.287 1.00 0.00 C ATOM 1147 O ARG A 72 14.128 2.650 -1.235 1.00 0.00 O ATOM 1148 CB ARG A 72 12.269 4.558 -3.191 1.00 0.00 C ATOM 1149 CG ARG A 72 12.943 5.736 -3.908 1.00 0.00 C ATOM 1150 CD ARG A 72 12.217 7.024 -3.560 1.00 0.00 C ATOM 1151 NE ARG A 72 12.746 8.167 -4.315 1.00 0.00 N ATOM 1152 CZ ARG A 72 12.354 9.435 -4.162 1.00 0.00 C ATOM 1153 NH1 ARG A 72 11.356 9.742 -3.339 1.00 0.00 N ATOM 1154 NH2 ARG A 72 12.966 10.411 -4.820 1.00 0.00 N ATOM 0 H ARG A 72 12.357 1.884 -1.990 1.00 0.00 H new ATOM 0 HA ARG A 72 13.496 3.279 -4.320 1.00 0.00 H new ATOM 0 HB2 ARG A 72 11.286 4.378 -3.626 1.00 0.00 H new ATOM 0 HB3 ARG A 72 12.113 4.808 -2.142 1.00 0.00 H new ATOM 0 HG2 ARG A 72 13.990 5.805 -3.612 1.00 0.00 H new ATOM 0 HG3 ARG A 72 12.926 5.577 -4.986 1.00 0.00 H new ATOM 0 HD2 ARG A 72 11.153 6.910 -3.770 1.00 0.00 H new ATOM 0 HD3 ARG A 72 12.312 7.218 -2.492 1.00 0.00 H new ATOM 0 HE ARG A 72 13.468 7.978 -5.010 1.00 0.00 H new ATOM 0 HH11 ARG A 72 10.881 9.006 -2.816 1.00 0.00 H new ATOM 0 HH12 ARG A 72 11.065 10.714 -3.230 1.00 0.00 H new ATOM 0 HH21 ARG A 72 13.741 10.195 -5.447 1.00 0.00 H new ATOM 0 HH22 ARG A 72 12.662 11.377 -4.699 1.00 0.00 H new ATOM 1168 N LEU A 73 15.371 3.939 -2.584 1.00 0.00 N ATOM 1169 CA LEU A 73 16.547 3.999 -1.724 1.00 0.00 C ATOM 1170 C LEU A 73 17.385 5.210 -2.092 1.00 0.00 C ATOM 1171 O LEU A 73 17.252 5.746 -3.196 1.00 0.00 O ATOM 1172 CB LEU A 73 17.406 2.741 -1.999 1.00 0.00 C ATOM 1173 CG LEU A 73 18.036 2.031 -0.784 1.00 0.00 C ATOM 1174 CD1 LEU A 73 19.092 2.846 -0.036 1.00 0.00 C ATOM 1175 CD2 LEU A 73 16.975 1.573 0.214 1.00 0.00 C ATOM 0 H LEU A 73 15.480 4.466 -3.451 1.00 0.00 H new ATOM 0 HA LEU A 73 16.237 4.057 -0.681 1.00 0.00 H new ATOM 0 HB2 LEU A 73 16.784 2.018 -2.526 1.00 0.00 H new ATOM 0 HB3 LEU A 73 18.211 3.025 -2.678 1.00 0.00 H new ATOM 0 HG LEU A 73 18.547 1.174 -1.223 1.00 0.00 H new ATOM 0 HD11 LEU A 73 19.476 2.263 0.801 1.00 0.00 H new ATOM 0 HD12 LEU A 73 19.910 3.090 -0.713 1.00 0.00 H new ATOM 0 HD13 LEU A 73 18.644 3.766 0.338 1.00 0.00 H new ATOM 0 HD21 LEU A 73 17.458 1.077 1.056 1.00 0.00 H new ATOM 0 HD22 LEU A 73 16.416 2.437 0.573 1.00 0.00 H new ATOM 0 HD23 LEU A 73 16.293 0.877 -0.274 1.00 0.00 H new ATOM 1187 N ARG A 74 18.225 5.671 -1.173 1.00 0.00 N ATOM 1188 CA ARG A 74 19.141 6.783 -1.412 1.00 0.00 C ATOM 1189 C ARG A 74 20.273 6.267 -2.314 1.00 0.00 C ATOM 1190 O ARG A 74 20.291 5.094 -2.682 1.00 0.00 O ATOM 1191 CB ARG A 74 19.664 7.349 -0.080 1.00 0.00 C ATOM 1192 CG ARG A 74 20.226 6.272 0.857 1.00 0.00 C ATOM 1193 CD ARG A 74 21.624 6.570 1.378 1.00 0.00 C ATOM 1194 NE ARG A 74 21.783 7.859 2.058 1.00 0.00 N ATOM 1195 CZ ARG A 74 22.983 8.412 2.258 1.00 0.00 C ATOM 1196 NH1 ARG A 74 24.091 7.798 1.863 1.00 0.00 N ATOM 1197 NH2 ARG A 74 23.062 9.588 2.854 1.00 0.00 N ATOM 0 H ARG A 74 18.291 5.281 -0.233 1.00 0.00 H new ATOM 0 HA ARG A 74 18.633 7.608 -1.912 1.00 0.00 H new ATOM 0 HB2 ARG A 74 20.442 8.084 -0.286 1.00 0.00 H new ATOM 0 HB3 ARG A 74 18.855 7.875 0.426 1.00 0.00 H new ATOM 0 HG2 ARG A 74 19.551 6.155 1.705 1.00 0.00 H new ATOM 0 HG3 ARG A 74 20.242 5.319 0.329 1.00 0.00 H new ATOM 0 HD2 ARG A 74 21.912 5.777 2.068 1.00 0.00 H new ATOM 0 HD3 ARG A 74 22.321 6.533 0.540 1.00 0.00 H new ATOM 0 HE ARG A 74 20.952 8.349 2.389 1.00 0.00 H new ATOM 0 HH11 ARG A 74 24.034 6.891 1.400 1.00 0.00 H new ATOM 0 HH12 ARG A 74 25.000 8.233 2.023 1.00 0.00 H new ATOM 0 HH21 ARG A 74 22.212 10.065 3.156 1.00 0.00 H new ATOM 0 HH22 ARG A 74 23.973 10.020 3.012 1.00 0.00 H new ATOM 1211 N GLY A 75 21.235 7.117 -2.660 1.00 0.00 N ATOM 1212 CA GLY A 75 22.363 6.755 -3.506 1.00 0.00 C ATOM 1213 C GLY A 75 23.428 5.956 -2.752 1.00 0.00 C ATOM 1214 O GLY A 75 24.609 6.250 -2.925 1.00 0.00 O ATOM 0 H GLY A 75 21.251 8.090 -2.355 1.00 0.00 H new ATOM 0 HA2 GLY A 75 22.005 6.169 -4.352 1.00 0.00 H new ATOM 0 HA3 GLY A 75 22.813 7.660 -3.913 1.00 0.00 H new ATOM 1218 N GLY A 76 23.040 4.979 -1.930 1.00 0.00 N ATOM 1219 CA GLY A 76 23.935 4.134 -1.151 1.00 0.00 C ATOM 1220 C GLY A 76 23.646 4.348 0.314 1.00 0.00 C ATOM 1221 O GLY A 76 22.648 3.774 0.789 1.00 0.00 O ATOM 0 H GLY A 76 22.057 4.749 -1.786 1.00 0.00 H new ATOM 0 HA2 GLY A 76 23.792 3.086 -1.416 1.00 0.00 H new ATOM 0 HA3 GLY A 76 24.974 4.379 -1.371 1.00 0.00 H new TER 1225 GLY A 76