USER MOD reduce.3.24.130724 H: found=0, std=0, add=621, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 621 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 5 GLN : amide:sc= 0.702 K(o=1.8,f=-7.1) USER MOD Set 1.2: A 75 LYS NZ :NH3+ -170:sc= 1.09 (180deg=-0.366) USER MOD Set 2.1: A 65 LYS NZ :NH3+ 162:sc= -1.58! (180deg=-3.55!) USER MOD Set 2.2: A 66 ASN : amide:sc= 0.277 K(o=-1.3,f=-2.5) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -178:sc= -0.187 (180deg=-0.225) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= 0.0236 X(o=0.024,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 152:sc= 0.842 (180deg=-0.11) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.00306 USER MOD Single : A 41 SER OG : rot 180:sc= -0.0481 USER MOD Single : A 43 SER OG : rot 165:sc= -0.939 USER MOD Single : A 44 MET CE :methyl -134:sc= -2.14 (180deg=-3.85!) USER MOD Single : A 58 LYS NZ :NH3+ 166:sc= 1.16 (180deg=0.835) USER MOD Single : A 68 LYS NZ :NH3+ 164:sc= -0.0554 (180deg=-0.249) USER MOD Single : A 69 THR OG1 : rot -110:sc= -2.33! USER MOD Single : A 74 THR OG1 : rot -172:sc= -1.54 USER MOD Single : A 76 TYR OH : rot -116:sc= 1.19 USER MOD Single : A 80 HIS : no HD1:sc= -1.08 K(o=-1.1,f=0.11) USER MOD Single : A 81 GLN : amide:sc= -1.52! K(o=-1.5!,f=-0.016) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -17.338 9.189 2.737 1.00 0.00 N ATOM 2 CA MET A 1 -17.160 8.215 3.843 1.00 0.00 C ATOM 3 C MET A 1 -15.900 7.373 3.638 1.00 0.00 C ATOM 4 O MET A 1 -15.296 6.900 4.601 1.00 0.00 O ATOM 5 CB MET A 1 -18.393 7.309 3.976 1.00 0.00 C ATOM 6 CG MET A 1 -18.707 6.483 2.734 1.00 0.00 C ATOM 7 SD MET A 1 -20.178 5.459 2.935 1.00 0.00 S ATOM 8 CE MET A 1 -20.293 4.699 1.316 1.00 0.00 C ATOM 0 H1 MET A 1 -18.181 9.770 2.918 1.00 0.00 H new ATOM 0 H2 MET A 1 -16.501 9.803 2.677 1.00 0.00 H new ATOM 0 H3 MET A 1 -17.457 8.677 1.839 1.00 0.00 H new ATOM 0 HA MET A 1 -17.045 8.780 4.768 1.00 0.00 H new ATOM 0 HB2 MET A 1 -18.243 6.633 4.818 1.00 0.00 H new ATOM 0 HB3 MET A 1 -19.259 7.927 4.214 1.00 0.00 H new ATOM 0 HG2 MET A 1 -18.847 7.151 1.884 1.00 0.00 H new ATOM 0 HG3 MET A 1 -17.854 5.845 2.501 1.00 0.00 H new ATOM 0 HE1 MET A 1 -21.157 4.036 1.286 1.00 0.00 H new ATOM 0 HE2 MET A 1 -20.404 5.474 0.557 1.00 0.00 H new ATOM 0 HE3 MET A 1 -19.388 4.125 1.119 1.00 0.00 H new ATOM 20 N ALA A 2 -15.501 7.190 2.385 1.00 0.00 N ATOM 21 CA ALA A 2 -14.294 6.441 2.069 1.00 0.00 C ATOM 22 C ALA A 2 -13.148 7.398 1.755 1.00 0.00 C ATOM 23 O ALA A 2 -13.366 8.596 1.557 1.00 0.00 O ATOM 24 CB ALA A 2 -14.541 5.494 0.902 1.00 0.00 C ATOM 0 H ALA A 2 -15.998 7.551 1.571 1.00 0.00 H new ATOM 0 HA ALA A 2 -14.017 5.843 2.937 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -13.627 4.943 0.681 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -15.333 4.793 1.164 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -14.840 6.068 0.025 1.00 0.00 H new ATOM 30 N ALA A 3 -11.935 6.870 1.708 1.00 0.00 N ATOM 31 CA ALA A 3 -10.761 7.682 1.456 1.00 0.00 C ATOM 32 C ALA A 3 -10.385 7.588 -0.006 1.00 0.00 C ATOM 33 O ALA A 3 -10.391 6.496 -0.583 1.00 0.00 O ATOM 34 CB ALA A 3 -9.595 7.226 2.325 1.00 0.00 C ATOM 0 H ALA A 3 -11.740 5.878 1.842 1.00 0.00 H new ATOM 0 HA ALA A 3 -10.990 8.718 1.706 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -8.724 7.848 2.121 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -9.867 7.317 3.376 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -9.359 6.186 2.100 1.00 0.00 H new ATOM 40 N THR A 4 -10.075 8.714 -0.611 1.00 0.00 N ATOM 41 CA THR A 4 -9.652 8.711 -1.988 1.00 0.00 C ATOM 42 C THR A 4 -8.142 8.480 -2.057 1.00 0.00 C ATOM 43 O THR A 4 -7.529 8.110 -1.053 1.00 0.00 O ATOM 44 CB THR A 4 -10.057 10.016 -2.688 1.00 0.00 C ATOM 45 OG1 THR A 4 -11.252 10.528 -2.082 1.00 0.00 O ATOM 46 CG2 THR A 4 -10.329 9.754 -4.159 1.00 0.00 C ATOM 0 H THR A 4 -10.108 9.634 -0.173 1.00 0.00 H new ATOM 0 HA THR A 4 -10.151 7.898 -2.516 1.00 0.00 H new ATOM 0 HB THR A 4 -9.246 10.737 -2.590 1.00 0.00 H new ATOM 0 HG1 THR A 4 -11.512 11.362 -2.526 1.00 0.00 H new ATOM 0 HG21 THR A 4 -10.616 10.685 -4.648 1.00 0.00 H new ATOM 0 HG22 THR A 4 -9.429 9.359 -4.631 1.00 0.00 H new ATOM 0 HG23 THR A 4 -11.138 9.030 -4.256 1.00 0.00 H new ATOM 54 N GLN A 5 -7.544 8.705 -3.219 1.00 0.00 N ATOM 55 CA GLN A 5 -6.177 8.266 -3.463 1.00 0.00 C ATOM 56 C GLN A 5 -5.182 8.869 -2.472 1.00 0.00 C ATOM 57 O GLN A 5 -4.479 8.138 -1.789 1.00 0.00 O ATOM 58 CB GLN A 5 -5.748 8.594 -4.888 1.00 0.00 C ATOM 59 CG GLN A 5 -4.451 7.908 -5.284 1.00 0.00 C ATOM 60 CD GLN A 5 -4.020 8.237 -6.691 1.00 0.00 C ATOM 61 OE1 GLN A 5 -4.432 7.576 -7.641 1.00 0.00 O ATOM 62 NE2 GLN A 5 -3.175 9.245 -6.827 1.00 0.00 N ATOM 0 H GLN A 5 -7.982 9.187 -4.004 1.00 0.00 H new ATOM 0 HA GLN A 5 -6.170 7.185 -3.322 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -6.537 8.296 -5.578 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -5.628 9.673 -4.988 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -3.664 8.202 -4.590 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -4.573 6.829 -5.189 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -2.863 9.763 -6.006 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -2.836 9.505 -7.753 1.00 0.00 H new ATOM 71 N GLU A 6 -5.141 10.191 -2.372 1.00 0.00 N ATOM 72 CA GLU A 6 -4.129 10.852 -1.547 1.00 0.00 C ATOM 73 C GLU A 6 -4.339 10.545 -0.067 1.00 0.00 C ATOM 74 O GLU A 6 -3.382 10.447 0.699 1.00 0.00 O ATOM 75 CB GLU A 6 -4.131 12.364 -1.789 1.00 0.00 C ATOM 76 CG GLU A 6 -5.418 13.058 -1.381 1.00 0.00 C ATOM 77 CD GLU A 6 -5.409 14.531 -1.730 1.00 0.00 C ATOM 78 OE1 GLU A 6 -4.849 15.331 -0.953 1.00 0.00 O ATOM 79 OE2 GLU A 6 -5.952 14.895 -2.794 1.00 0.00 O ATOM 0 H GLU A 6 -5.787 10.824 -2.844 1.00 0.00 H new ATOM 0 HA GLU A 6 -3.155 10.459 -1.838 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -3.301 12.810 -1.240 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -3.950 12.551 -2.847 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -6.261 12.575 -1.874 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -5.567 12.942 -0.308 1.00 0.00 H new ATOM 86 N GLU A 7 -5.595 10.370 0.324 1.00 0.00 N ATOM 87 CA GLU A 7 -5.933 10.082 1.711 1.00 0.00 C ATOM 88 C GLU A 7 -5.481 8.680 2.096 1.00 0.00 C ATOM 89 O GLU A 7 -4.852 8.483 3.137 1.00 0.00 O ATOM 90 CB GLU A 7 -7.436 10.226 1.917 1.00 0.00 C ATOM 91 CG GLU A 7 -7.951 11.624 1.616 1.00 0.00 C ATOM 92 CD GLU A 7 -9.458 11.703 1.637 1.00 0.00 C ATOM 93 OE1 GLU A 7 -10.091 11.138 0.720 1.00 0.00 O ATOM 94 OE2 GLU A 7 -10.014 12.341 2.554 1.00 0.00 O ATOM 0 H GLU A 7 -6.398 10.423 -0.302 1.00 0.00 H new ATOM 0 HA GLU A 7 -5.414 10.795 2.351 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -7.954 9.510 1.279 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -7.681 9.970 2.948 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -7.544 12.323 2.347 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -7.588 11.938 0.638 1.00 0.00 H new ATOM 101 N ILE A 8 -5.794 7.708 1.251 1.00 0.00 N ATOM 102 CA ILE A 8 -5.386 6.335 1.498 1.00 0.00 C ATOM 103 C ILE A 8 -3.871 6.220 1.313 1.00 0.00 C ATOM 104 O ILE A 8 -3.209 5.470 2.022 1.00 0.00 O ATOM 105 CB ILE A 8 -6.162 5.346 0.579 1.00 0.00 C ATOM 106 CG1 ILE A 8 -6.123 3.903 1.122 1.00 0.00 C ATOM 107 CG2 ILE A 8 -5.635 5.396 -0.846 1.00 0.00 C ATOM 108 CD1 ILE A 8 -4.827 3.156 0.874 1.00 0.00 C ATOM 0 H ILE A 8 -6.327 7.845 0.392 1.00 0.00 H new ATOM 0 HA ILE A 8 -5.632 6.062 2.524 1.00 0.00 H new ATOM 0 HB ILE A 8 -7.204 5.666 0.573 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -6.308 3.931 2.196 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -6.940 3.340 0.672 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -6.195 4.696 -1.466 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -5.752 6.405 -1.242 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -4.580 5.124 -0.853 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -4.900 2.152 1.293 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -4.645 3.089 -0.199 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -4.003 3.689 1.349 1.00 0.00 H new ATOM 120 N VAL A 9 -3.328 7.011 0.388 1.00 0.00 N ATOM 121 CA VAL A 9 -1.886 7.084 0.177 1.00 0.00 C ATOM 122 C VAL A 9 -1.176 7.575 1.437 1.00 0.00 C ATOM 123 O VAL A 9 -0.152 7.025 1.824 1.00 0.00 O ATOM 124 CB VAL A 9 -1.539 7.994 -1.032 1.00 0.00 C ATOM 125 CG1 VAL A 9 -0.160 8.630 -0.901 1.00 0.00 C ATOM 126 CG2 VAL A 9 -1.606 7.198 -2.327 1.00 0.00 C ATOM 0 H VAL A 9 -3.871 7.614 -0.230 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.534 6.077 -0.047 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.277 8.796 -1.048 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.036 9.257 -1.771 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.125 9.240 0.001 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.597 7.848 -0.840 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -1.361 7.848 -3.167 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -0.893 6.374 -2.285 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -2.612 6.800 -2.458 1.00 0.00 H new ATOM 136 N ALA A 10 -1.737 8.594 2.086 1.00 0.00 N ATOM 137 CA ALA A 10 -1.172 9.112 3.327 1.00 0.00 C ATOM 138 C ALA A 10 -1.177 8.043 4.414 1.00 0.00 C ATOM 139 O ALA A 10 -0.184 7.850 5.117 1.00 0.00 O ATOM 140 CB ALA A 10 -1.937 10.345 3.789 1.00 0.00 C ATOM 0 H ALA A 10 -2.580 9.075 1.773 1.00 0.00 H new ATOM 0 HA ALA A 10 -0.138 9.398 3.135 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -1.501 10.717 4.716 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -1.877 11.119 3.023 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -2.981 10.083 3.959 1.00 0.00 H new ATOM 146 N GLY A 11 -2.293 7.342 4.538 1.00 0.00 N ATOM 147 CA GLY A 11 -2.400 6.279 5.517 1.00 0.00 C ATOM 148 C GLY A 11 -1.521 5.092 5.177 1.00 0.00 C ATOM 149 O GLY A 11 -1.016 4.404 6.068 1.00 0.00 O ATOM 0 H GLY A 11 -3.131 7.491 3.976 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -2.124 6.663 6.499 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -3.438 5.952 5.583 1.00 0.00 H new ATOM 153 N LEU A 12 -1.356 4.848 3.888 1.00 0.00 N ATOM 154 CA LEU A 12 -0.479 3.795 3.402 1.00 0.00 C ATOM 155 C LEU A 12 0.970 4.175 3.697 1.00 0.00 C ATOM 156 O LEU A 12 1.733 3.388 4.252 1.00 0.00 O ATOM 157 CB LEU A 12 -0.694 3.614 1.890 1.00 0.00 C ATOM 158 CG LEU A 12 -0.652 2.172 1.354 1.00 0.00 C ATOM 159 CD1 LEU A 12 0.705 1.534 1.587 1.00 0.00 C ATOM 160 CD2 LEU A 12 -1.755 1.328 1.981 1.00 0.00 C ATOM 0 H LEU A 12 -1.825 5.373 3.150 1.00 0.00 H new ATOM 0 HA LEU A 12 -0.706 2.854 3.903 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -1.660 4.046 1.630 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.066 4.194 1.366 1.00 0.00 H new ATOM 0 HG LEU A 12 -0.821 2.216 0.278 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.700 0.516 1.197 1.00 0.00 H new ATOM 0 HD12 LEU A 12 1.473 2.115 1.076 1.00 0.00 H new ATOM 0 HD13 LEU A 12 0.918 1.512 2.656 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.705 0.313 1.587 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.624 1.304 3.063 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -2.726 1.763 1.742 1.00 0.00 H new ATOM 172 N ALA A 13 1.319 5.407 3.342 1.00 0.00 N ATOM 173 CA ALA A 13 2.658 5.946 3.560 1.00 0.00 C ATOM 174 C ALA A 13 3.041 5.913 5.029 1.00 0.00 C ATOM 175 O ALA A 13 4.139 5.486 5.382 1.00 0.00 O ATOM 176 CB ALA A 13 2.732 7.370 3.044 1.00 0.00 C ATOM 0 H ALA A 13 0.679 6.063 2.893 1.00 0.00 H new ATOM 0 HA ALA A 13 3.363 5.319 3.014 1.00 0.00 H new ATOM 0 HB1 ALA A 13 3.734 7.766 3.210 1.00 0.00 H new ATOM 0 HB2 ALA A 13 2.509 7.382 1.977 1.00 0.00 H new ATOM 0 HB3 ALA A 13 2.006 7.987 3.573 1.00 0.00 H new ATOM 182 N GLU A 14 2.121 6.365 5.875 1.00 0.00 N ATOM 183 CA GLU A 14 2.316 6.369 7.320 1.00 0.00 C ATOM 184 C GLU A 14 2.728 4.984 7.807 1.00 0.00 C ATOM 185 O GLU A 14 3.561 4.840 8.701 1.00 0.00 O ATOM 186 CB GLU A 14 1.013 6.794 8.006 1.00 0.00 C ATOM 187 CG GLU A 14 1.091 6.835 9.523 1.00 0.00 C ATOM 188 CD GLU A 14 1.978 7.949 10.037 1.00 0.00 C ATOM 189 OE1 GLU A 14 1.544 9.120 9.999 1.00 0.00 O ATOM 190 OE2 GLU A 14 3.107 7.663 10.488 1.00 0.00 O ATOM 0 H GLU A 14 1.220 6.739 5.578 1.00 0.00 H new ATOM 0 HA GLU A 14 3.109 7.074 7.569 1.00 0.00 H new ATOM 0 HB2 GLU A 14 0.729 7.781 7.641 1.00 0.00 H new ATOM 0 HB3 GLU A 14 0.220 6.106 7.713 1.00 0.00 H new ATOM 0 HG2 GLU A 14 0.088 6.959 9.930 1.00 0.00 H new ATOM 0 HG3 GLU A 14 1.467 5.880 9.888 1.00 0.00 H new ATOM 197 N ILE A 15 2.154 3.972 7.183 1.00 0.00 N ATOM 198 CA ILE A 15 2.356 2.605 7.604 1.00 0.00 C ATOM 199 C ILE A 15 3.608 1.991 6.965 1.00 0.00 C ATOM 200 O ILE A 15 4.319 1.220 7.609 1.00 0.00 O ATOM 201 CB ILE A 15 1.083 1.774 7.320 1.00 0.00 C ATOM 202 CG1 ILE A 15 0.578 1.160 8.624 1.00 0.00 C ATOM 203 CG2 ILE A 15 1.317 0.702 6.261 1.00 0.00 C ATOM 204 CD1 ILE A 15 -0.796 0.546 8.515 1.00 0.00 C ATOM 0 H ILE A 15 1.539 4.077 6.376 1.00 0.00 H new ATOM 0 HA ILE A 15 2.533 2.595 8.679 1.00 0.00 H new ATOM 0 HB ILE A 15 0.323 2.442 6.916 1.00 0.00 H new ATOM 0 HG12 ILE A 15 1.283 0.396 8.952 1.00 0.00 H new ATOM 0 HG13 ILE A 15 0.562 1.930 9.395 1.00 0.00 H new ATOM 0 HG21 ILE A 15 0.394 0.145 6.097 1.00 0.00 H new ATOM 0 HG22 ILE A 15 1.627 1.173 5.329 1.00 0.00 H new ATOM 0 HG23 ILE A 15 2.097 0.020 6.600 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -1.087 0.131 9.480 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -1.514 1.311 8.218 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -0.782 -0.248 7.768 1.00 0.00 H new ATOM 216 N VAL A 16 3.902 2.350 5.716 1.00 0.00 N ATOM 217 CA VAL A 16 5.117 1.865 5.065 1.00 0.00 C ATOM 218 C VAL A 16 6.335 2.532 5.686 1.00 0.00 C ATOM 219 O VAL A 16 7.449 2.004 5.645 1.00 0.00 O ATOM 220 CB VAL A 16 5.123 2.119 3.543 1.00 0.00 C ATOM 221 CG1 VAL A 16 6.339 1.475 2.894 1.00 0.00 C ATOM 222 CG2 VAL A 16 3.853 1.595 2.902 1.00 0.00 C ATOM 0 H VAL A 16 3.325 2.965 5.142 1.00 0.00 H new ATOM 0 HA VAL A 16 5.148 0.786 5.218 1.00 0.00 H new ATOM 0 HB VAL A 16 5.172 3.196 3.385 1.00 0.00 H new ATOM 0 HG11 VAL A 16 6.323 1.667 1.821 1.00 0.00 H new ATOM 0 HG12 VAL A 16 7.247 1.897 3.324 1.00 0.00 H new ATOM 0 HG13 VAL A 16 6.319 0.400 3.071 1.00 0.00 H new ATOM 0 HG21 VAL A 16 3.881 1.786 1.829 1.00 0.00 H new ATOM 0 HG22 VAL A 16 3.773 0.522 3.078 1.00 0.00 H new ATOM 0 HG23 VAL A 16 2.991 2.100 3.338 1.00 0.00 H new ATOM 232 N ASN A 17 6.107 3.700 6.271 1.00 0.00 N ATOM 233 CA ASN A 17 7.156 4.431 6.958 1.00 0.00 C ATOM 234 C ASN A 17 7.670 3.613 8.141 1.00 0.00 C ATOM 235 O ASN A 17 8.808 3.780 8.572 1.00 0.00 O ATOM 236 CB ASN A 17 6.634 5.794 7.422 1.00 0.00 C ATOM 237 CG ASN A 17 7.744 6.726 7.865 1.00 0.00 C ATOM 238 OD1 ASN A 17 8.112 6.769 9.040 1.00 0.00 O ATOM 239 ND2 ASN A 17 8.277 7.489 6.924 1.00 0.00 N ATOM 0 H ASN A 17 5.198 4.162 6.282 1.00 0.00 H new ATOM 0 HA ASN A 17 7.984 4.601 6.270 1.00 0.00 H new ATOM 0 HB2 ASN A 17 6.076 6.260 6.610 1.00 0.00 H new ATOM 0 HB3 ASN A 17 5.936 5.650 8.247 1.00 0.00 H new ATOM 0 HD21 ASN A 17 9.022 8.144 7.160 1.00 0.00 H new ATOM 0 HD22 ASN A 17 7.943 7.422 5.963 1.00 0.00 H new ATOM 246 N GLU A 18 6.824 2.712 8.653 1.00 0.00 N ATOM 247 CA GLU A 18 7.240 1.787 9.703 1.00 0.00 C ATOM 248 C GLU A 18 8.133 0.704 9.117 1.00 0.00 C ATOM 249 O GLU A 18 9.117 0.286 9.731 1.00 0.00 O ATOM 250 CB GLU A 18 6.030 1.126 10.384 1.00 0.00 C ATOM 251 CG GLU A 18 6.414 0.391 11.663 1.00 0.00 C ATOM 252 CD GLU A 18 5.234 -0.189 12.413 1.00 0.00 C ATOM 253 OE1 GLU A 18 4.764 -1.284 12.043 1.00 0.00 O ATOM 254 OE2 GLU A 18 4.791 0.433 13.403 1.00 0.00 O ATOM 0 H GLU A 18 5.854 2.607 8.357 1.00 0.00 H new ATOM 0 HA GLU A 18 7.788 2.361 10.450 1.00 0.00 H new ATOM 0 HB2 GLU A 18 5.286 1.888 10.615 1.00 0.00 H new ATOM 0 HB3 GLU A 18 5.564 0.425 9.691 1.00 0.00 H new ATOM 0 HG2 GLU A 18 7.106 -0.414 11.414 1.00 0.00 H new ATOM 0 HG3 GLU A 18 6.947 1.078 12.320 1.00 0.00 H new ATOM 261 N ILE A 19 7.783 0.268 7.917 1.00 0.00 N ATOM 262 CA ILE A 19 8.460 -0.841 7.276 1.00 0.00 C ATOM 263 C ILE A 19 9.863 -0.461 6.830 1.00 0.00 C ATOM 264 O ILE A 19 10.838 -1.131 7.176 1.00 0.00 O ATOM 265 CB ILE A 19 7.685 -1.335 6.043 1.00 0.00 C ATOM 266 CG1 ILE A 19 6.210 -1.554 6.382 1.00 0.00 C ATOM 267 CG2 ILE A 19 8.312 -2.614 5.530 1.00 0.00 C ATOM 268 CD1 ILE A 19 5.385 -2.064 5.217 1.00 0.00 C ATOM 0 H ILE A 19 7.026 0.672 7.365 1.00 0.00 H new ATOM 0 HA ILE A 19 8.515 -1.634 8.022 1.00 0.00 H new ATOM 0 HB ILE A 19 7.738 -0.575 5.263 1.00 0.00 H new ATOM 0 HG12 ILE A 19 6.137 -2.265 7.205 1.00 0.00 H new ATOM 0 HG13 ILE A 19 5.784 -0.614 6.733 1.00 0.00 H new ATOM 0 HG21 ILE A 19 7.762 -2.964 4.656 1.00 0.00 H new ATOM 0 HG22 ILE A 19 9.350 -2.426 5.254 1.00 0.00 H new ATOM 0 HG23 ILE A 19 8.276 -3.375 6.310 1.00 0.00 H new ATOM 0 HD11 ILE A 19 4.350 -2.195 5.534 1.00 0.00 H new ATOM 0 HD12 ILE A 19 5.426 -1.344 4.400 1.00 0.00 H new ATOM 0 HD13 ILE A 19 5.785 -3.020 4.879 1.00 0.00 H new ATOM 280 N ALA A 20 9.964 0.617 6.070 1.00 0.00 N ATOM 281 CA ALA A 20 11.241 1.017 5.505 1.00 0.00 C ATOM 282 C ALA A 20 11.507 2.503 5.724 1.00 0.00 C ATOM 283 O ALA A 20 12.151 2.880 6.701 1.00 0.00 O ATOM 284 CB ALA A 20 11.297 0.653 4.031 1.00 0.00 C ATOM 0 H ALA A 20 9.182 1.227 5.831 1.00 0.00 H new ATOM 0 HA ALA A 20 12.031 0.474 6.023 1.00 0.00 H new ATOM 0 HB1 ALA A 20 12.258 0.957 3.617 1.00 0.00 H new ATOM 0 HB2 ALA A 20 11.178 -0.425 3.918 1.00 0.00 H new ATOM 0 HB3 ALA A 20 10.495 1.165 3.499 1.00 0.00 H new ATOM 290 N GLY A 21 11.015 3.354 4.827 1.00 0.00 N ATOM 291 CA GLY A 21 11.202 4.779 5.020 1.00 0.00 C ATOM 292 C GLY A 21 11.044 5.617 3.760 1.00 0.00 C ATOM 293 O GLY A 21 12.007 6.228 3.297 1.00 0.00 O ATOM 0 H GLY A 21 10.501 3.089 3.987 1.00 0.00 H new ATOM 0 HA2 GLY A 21 10.486 5.128 5.764 1.00 0.00 H new ATOM 0 HA3 GLY A 21 12.197 4.949 5.431 1.00 0.00 H new ATOM 297 N ILE A 22 9.844 5.629 3.190 1.00 0.00 N ATOM 298 CA ILE A 22 9.482 6.642 2.203 1.00 0.00 C ATOM 299 C ILE A 22 8.654 7.726 2.892 1.00 0.00 C ATOM 300 O ILE A 22 7.733 7.409 3.650 1.00 0.00 O ATOM 301 CB ILE A 22 8.666 6.055 1.015 1.00 0.00 C ATOM 302 CG1 ILE A 22 9.540 5.181 0.112 1.00 0.00 C ATOM 303 CG2 ILE A 22 8.023 7.165 0.202 1.00 0.00 C ATOM 304 CD1 ILE A 22 10.700 5.918 -0.524 1.00 0.00 C ATOM 0 H ILE A 22 9.108 4.953 3.393 1.00 0.00 H new ATOM 0 HA ILE A 22 10.406 7.050 1.793 1.00 0.00 H new ATOM 0 HB ILE A 22 7.881 5.428 1.438 1.00 0.00 H new ATOM 0 HG12 ILE A 22 9.929 4.348 0.697 1.00 0.00 H new ATOM 0 HG13 ILE A 22 8.918 4.755 -0.675 1.00 0.00 H new ATOM 0 HG21 ILE A 22 7.458 6.731 -0.623 1.00 0.00 H new ATOM 0 HG22 ILE A 22 7.351 7.740 0.839 1.00 0.00 H new ATOM 0 HG23 ILE A 22 8.798 7.821 -0.194 1.00 0.00 H new ATOM 0 HD11 ILE A 22 11.270 5.230 -1.148 1.00 0.00 H new ATOM 0 HD12 ILE A 22 10.320 6.734 -1.138 1.00 0.00 H new ATOM 0 HD13 ILE A 22 11.346 6.321 0.256 1.00 0.00 H new ATOM 316 N PRO A 23 8.998 9.011 2.684 1.00 0.00 N ATOM 317 CA PRO A 23 8.205 10.133 3.202 1.00 0.00 C ATOM 318 C PRO A 23 6.747 10.047 2.753 1.00 0.00 C ATOM 319 O PRO A 23 6.457 9.559 1.660 1.00 0.00 O ATOM 320 CB PRO A 23 8.882 11.365 2.594 1.00 0.00 C ATOM 321 CG PRO A 23 10.277 10.931 2.302 1.00 0.00 C ATOM 322 CD PRO A 23 10.191 9.472 1.946 1.00 0.00 C ATOM 0 HA PRO A 23 8.176 10.150 4.291 1.00 0.00 H new ATOM 0 HB2 PRO A 23 8.371 11.689 1.687 1.00 0.00 H new ATOM 0 HB3 PRO A 23 8.867 12.206 3.287 1.00 0.00 H new ATOM 0 HG2 PRO A 23 10.702 11.509 1.481 1.00 0.00 H new ATOM 0 HG3 PRO A 23 10.923 11.084 3.167 1.00 0.00 H new ATOM 0 HD2 PRO A 23 10.080 9.326 0.871 1.00 0.00 H new ATOM 0 HD3 PRO A 23 11.086 8.930 2.251 1.00 0.00 H new ATOM 330 N VAL A 24 5.836 10.534 3.587 1.00 0.00 N ATOM 331 CA VAL A 24 4.410 10.410 3.314 1.00 0.00 C ATOM 332 C VAL A 24 4.035 11.092 1.998 1.00 0.00 C ATOM 333 O VAL A 24 3.224 10.582 1.225 1.00 0.00 O ATOM 334 CB VAL A 24 3.561 10.997 4.461 1.00 0.00 C ATOM 335 CG1 VAL A 24 2.077 10.903 4.143 1.00 0.00 C ATOM 336 CG2 VAL A 24 3.869 10.281 5.767 1.00 0.00 C ATOM 0 H VAL A 24 6.059 11.018 4.457 1.00 0.00 H new ATOM 0 HA VAL A 24 4.196 9.344 3.232 1.00 0.00 H new ATOM 0 HB VAL A 24 3.819 12.051 4.569 1.00 0.00 H new ATOM 0 HG11 VAL A 24 1.501 11.323 4.967 1.00 0.00 H new ATOM 0 HG12 VAL A 24 1.864 11.460 3.230 1.00 0.00 H new ATOM 0 HG13 VAL A 24 1.800 9.858 4.003 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.263 10.706 6.567 1.00 0.00 H new ATOM 0 HG22 VAL A 24 3.641 9.220 5.663 1.00 0.00 H new ATOM 0 HG23 VAL A 24 4.925 10.403 6.008 1.00 0.00 H new ATOM 346 N GLU A 25 4.657 12.232 1.739 1.00 0.00 N ATOM 347 CA GLU A 25 4.379 13.008 0.536 1.00 0.00 C ATOM 348 C GLU A 25 5.049 12.374 -0.680 1.00 0.00 C ATOM 349 O GLU A 25 4.687 12.655 -1.823 1.00 0.00 O ATOM 350 CB GLU A 25 4.869 14.457 0.691 1.00 0.00 C ATOM 351 CG GLU A 25 4.405 15.156 1.965 1.00 0.00 C ATOM 352 CD GLU A 25 5.137 14.674 3.201 1.00 0.00 C ATOM 353 OE1 GLU A 25 6.368 14.858 3.273 1.00 0.00 O ATOM 354 OE2 GLU A 25 4.494 14.083 4.088 1.00 0.00 O ATOM 0 H GLU A 25 5.363 12.644 2.349 1.00 0.00 H new ATOM 0 HA GLU A 25 3.299 13.014 0.389 1.00 0.00 H new ATOM 0 HB2 GLU A 25 5.959 14.462 0.667 1.00 0.00 H new ATOM 0 HB3 GLU A 25 4.529 15.035 -0.168 1.00 0.00 H new ATOM 0 HG2 GLU A 25 4.552 16.231 1.858 1.00 0.00 H new ATOM 0 HG3 GLU A 25 3.335 14.992 2.095 1.00 0.00 H new ATOM 361 N ASP A 26 6.029 11.517 -0.429 1.00 0.00 N ATOM 362 CA ASP A 26 6.803 10.914 -1.505 1.00 0.00 C ATOM 363 C ASP A 26 6.077 9.705 -2.077 1.00 0.00 C ATOM 364 O ASP A 26 6.324 9.308 -3.216 1.00 0.00 O ATOM 365 CB ASP A 26 8.186 10.488 -1.008 1.00 0.00 C ATOM 366 CG ASP A 26 9.188 10.342 -2.137 1.00 0.00 C ATOM 367 OD1 ASP A 26 9.513 11.360 -2.782 1.00 0.00 O ATOM 368 OD2 ASP A 26 9.648 9.214 -2.391 1.00 0.00 O ATOM 0 H ASP A 26 6.306 11.224 0.508 1.00 0.00 H new ATOM 0 HA ASP A 26 6.922 11.663 -2.288 1.00 0.00 H new ATOM 0 HB2 ASP A 26 8.554 11.223 -0.292 1.00 0.00 H new ATOM 0 HB3 ASP A 26 8.102 9.540 -0.476 1.00 0.00 H new ATOM 373 N VAL A 27 5.183 9.119 -1.280 1.00 0.00 N ATOM 374 CA VAL A 27 4.423 7.950 -1.708 1.00 0.00 C ATOM 375 C VAL A 27 3.477 8.309 -2.841 1.00 0.00 C ATOM 376 O VAL A 27 2.632 9.198 -2.719 1.00 0.00 O ATOM 377 CB VAL A 27 3.644 7.300 -0.542 1.00 0.00 C ATOM 378 CG1 VAL A 27 2.709 6.203 -1.042 1.00 0.00 C ATOM 379 CG2 VAL A 27 4.615 6.730 0.480 1.00 0.00 C ATOM 0 H VAL A 27 4.969 9.437 -0.335 1.00 0.00 H new ATOM 0 HA VAL A 27 5.144 7.215 -2.067 1.00 0.00 H new ATOM 0 HB VAL A 27 3.036 8.073 -0.071 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.176 5.766 -0.197 1.00 0.00 H new ATOM 0 HG12 VAL A 27 1.991 6.628 -1.743 1.00 0.00 H new ATOM 0 HG13 VAL A 27 3.291 5.429 -1.543 1.00 0.00 H new ATOM 0 HG21 VAL A 27 4.057 6.274 1.298 1.00 0.00 H new ATOM 0 HG22 VAL A 27 5.243 5.976 0.005 1.00 0.00 H new ATOM 0 HG23 VAL A 27 5.243 7.531 0.871 1.00 0.00 H new ATOM 389 N LYS A 28 3.653 7.609 -3.945 1.00 0.00 N ATOM 390 CA LYS A 28 2.908 7.856 -5.159 1.00 0.00 C ATOM 391 C LYS A 28 2.646 6.529 -5.830 1.00 0.00 C ATOM 392 O LYS A 28 3.224 5.515 -5.446 1.00 0.00 O ATOM 393 CB LYS A 28 3.705 8.760 -6.100 1.00 0.00 C ATOM 394 CG LYS A 28 4.067 10.106 -5.498 1.00 0.00 C ATOM 395 CD LYS A 28 5.202 10.770 -6.254 1.00 0.00 C ATOM 396 CE LYS A 28 5.619 12.070 -5.581 1.00 0.00 C ATOM 397 NZ LYS A 28 6.773 12.708 -6.264 1.00 0.00 N ATOM 0 H LYS A 28 4.325 6.845 -4.023 1.00 0.00 H new ATOM 0 HA LYS A 28 1.969 8.355 -4.920 1.00 0.00 H new ATOM 0 HB2 LYS A 28 4.620 8.246 -6.393 1.00 0.00 H new ATOM 0 HB3 LYS A 28 3.126 8.923 -7.009 1.00 0.00 H new ATOM 0 HG2 LYS A 28 3.193 10.757 -5.509 1.00 0.00 H new ATOM 0 HG3 LYS A 28 4.353 9.973 -4.455 1.00 0.00 H new ATOM 0 HD2 LYS A 28 6.055 10.093 -6.305 1.00 0.00 H new ATOM 0 HD3 LYS A 28 4.892 10.970 -7.280 1.00 0.00 H new ATOM 0 HE2 LYS A 28 4.776 12.761 -5.574 1.00 0.00 H new ATOM 0 HE3 LYS A 28 5.878 11.872 -4.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 7.023 13.590 -5.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 7.587 12.060 -6.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 6.519 12.921 -7.250 1.00 0.00 H new ATOM 411 N LEU A 29 1.805 6.532 -6.838 1.00 0.00 N ATOM 412 CA LEU A 29 1.442 5.298 -7.510 1.00 0.00 C ATOM 413 C LEU A 29 2.495 4.888 -8.531 1.00 0.00 C ATOM 414 O LEU A 29 2.384 3.835 -9.158 1.00 0.00 O ATOM 415 CB LEU A 29 0.062 5.420 -8.172 1.00 0.00 C ATOM 416 CG LEU A 29 -1.125 5.098 -7.259 1.00 0.00 C ATOM 417 CD1 LEU A 29 -1.091 5.933 -5.989 1.00 0.00 C ATOM 418 CD2 LEU A 29 -2.430 5.300 -8.000 1.00 0.00 C ATOM 0 H LEU A 29 1.359 7.369 -7.212 1.00 0.00 H new ATOM 0 HA LEU A 29 1.391 4.515 -6.753 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -0.055 6.436 -8.550 1.00 0.00 H new ATOM 0 HB3 LEU A 29 0.029 4.754 -9.034 1.00 0.00 H new ATOM 0 HG LEU A 29 -1.049 4.051 -6.966 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -1.947 5.680 -5.364 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.170 5.728 -5.443 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -1.131 6.991 -6.248 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -3.264 5.067 -7.338 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -2.505 6.337 -8.328 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -2.461 4.642 -8.868 1.00 0.00 H new ATOM 430 N ASP A 30 3.520 5.713 -8.687 1.00 0.00 N ATOM 431 CA ASP A 30 4.538 5.469 -9.699 1.00 0.00 C ATOM 432 C ASP A 30 5.875 5.076 -9.076 1.00 0.00 C ATOM 433 O ASP A 30 6.848 4.851 -9.794 1.00 0.00 O ATOM 434 CB ASP A 30 4.709 6.701 -10.593 1.00 0.00 C ATOM 435 CG ASP A 30 5.280 7.900 -9.858 1.00 0.00 C ATOM 436 OD1 ASP A 30 5.066 8.012 -8.636 1.00 0.00 O ATOM 437 OD2 ASP A 30 5.922 8.751 -10.513 1.00 0.00 O ATOM 0 H ASP A 30 3.669 6.554 -8.129 1.00 0.00 H new ATOM 0 HA ASP A 30 4.200 4.631 -10.308 1.00 0.00 H new ATOM 0 HB2 ASP A 30 5.364 6.449 -11.427 1.00 0.00 H new ATOM 0 HB3 ASP A 30 3.742 6.970 -11.018 1.00 0.00 H new ATOM 442 N LYS A 31 5.931 4.968 -7.747 1.00 0.00 N ATOM 443 CA LYS A 31 7.152 4.533 -7.101 1.00 0.00 C ATOM 444 C LYS A 31 7.007 3.057 -6.727 1.00 0.00 C ATOM 445 O LYS A 31 5.926 2.608 -6.335 1.00 0.00 O ATOM 446 CB LYS A 31 7.475 5.423 -5.893 1.00 0.00 C ATOM 447 CG LYS A 31 6.895 4.964 -4.572 1.00 0.00 C ATOM 448 CD LYS A 31 6.727 6.117 -3.610 1.00 0.00 C ATOM 449 CE LYS A 31 8.056 6.765 -3.250 1.00 0.00 C ATOM 450 NZ LYS A 31 8.474 7.814 -4.223 1.00 0.00 N ATOM 0 H LYS A 31 5.157 5.173 -7.115 1.00 0.00 H new ATOM 0 HA LYS A 31 7.998 4.632 -7.782 1.00 0.00 H new ATOM 0 HB2 LYS A 31 8.558 5.488 -5.791 1.00 0.00 H new ATOM 0 HB3 LYS A 31 7.113 6.430 -6.099 1.00 0.00 H new ATOM 0 HG2 LYS A 31 5.929 4.488 -4.743 1.00 0.00 H new ATOM 0 HG3 LYS A 31 7.547 4.211 -4.129 1.00 0.00 H new ATOM 0 HD2 LYS A 31 6.069 6.864 -4.053 1.00 0.00 H new ATOM 0 HD3 LYS A 31 6.240 5.762 -2.702 1.00 0.00 H new ATOM 0 HE2 LYS A 31 7.981 7.208 -2.257 1.00 0.00 H new ATOM 0 HE3 LYS A 31 8.827 5.996 -3.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 9.067 8.519 -3.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 9.016 7.375 -4.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 7.631 8.281 -4.614 1.00 0.00 H new ATOM 464 N SER A 32 8.072 2.297 -6.871 1.00 0.00 N ATOM 465 CA SER A 32 7.985 0.852 -6.739 1.00 0.00 C ATOM 466 C SER A 32 8.179 0.406 -5.293 1.00 0.00 C ATOM 467 O SER A 32 9.056 0.900 -4.595 1.00 0.00 O ATOM 468 CB SER A 32 9.022 0.196 -7.644 1.00 0.00 C ATOM 469 OG SER A 32 8.862 0.631 -8.983 1.00 0.00 O ATOM 0 H SER A 32 9.006 2.651 -7.079 1.00 0.00 H new ATOM 0 HA SER A 32 6.986 0.539 -7.043 1.00 0.00 H new ATOM 0 HB2 SER A 32 10.025 0.441 -7.294 1.00 0.00 H new ATOM 0 HB3 SER A 32 8.922 -0.888 -7.594 1.00 0.00 H new ATOM 0 HG SER A 32 9.537 0.201 -9.549 1.00 0.00 H new ATOM 475 N PHE A 33 7.345 -0.530 -4.849 1.00 0.00 N ATOM 476 CA PHE A 33 7.428 -1.077 -3.498 1.00 0.00 C ATOM 477 C PHE A 33 8.787 -1.719 -3.268 1.00 0.00 C ATOM 478 O PHE A 33 9.452 -1.475 -2.262 1.00 0.00 O ATOM 479 CB PHE A 33 6.335 -2.127 -3.284 1.00 0.00 C ATOM 480 CG PHE A 33 5.279 -1.735 -2.287 1.00 0.00 C ATOM 481 CD1 PHE A 33 5.622 -1.143 -1.082 1.00 0.00 C ATOM 482 CD2 PHE A 33 3.941 -1.970 -2.554 1.00 0.00 C ATOM 483 CE1 PHE A 33 4.649 -0.799 -0.161 1.00 0.00 C ATOM 484 CE2 PHE A 33 2.964 -1.628 -1.639 1.00 0.00 C ATOM 485 CZ PHE A 33 3.319 -1.038 -0.443 1.00 0.00 C ATOM 0 H PHE A 33 6.595 -0.930 -5.413 1.00 0.00 H new ATOM 0 HA PHE A 33 7.291 -0.259 -2.791 1.00 0.00 H new ATOM 0 HB2 PHE A 33 5.855 -2.333 -4.241 1.00 0.00 H new ATOM 0 HB3 PHE A 33 6.801 -3.056 -2.954 1.00 0.00 H new ATOM 0 HD1 PHE A 33 6.661 -0.948 -0.859 1.00 0.00 H new ATOM 0 HD2 PHE A 33 3.657 -2.427 -3.490 1.00 0.00 H new ATOM 0 HE1 PHE A 33 4.929 -0.344 0.777 1.00 0.00 H new ATOM 0 HE2 PHE A 33 1.925 -1.822 -1.859 1.00 0.00 H new ATOM 0 HZ PHE A 33 2.557 -0.764 0.272 1.00 0.00 H new ATOM 495 N THR A 34 9.194 -2.533 -4.218 1.00 0.00 N ATOM 496 CA THR A 34 10.437 -3.260 -4.115 1.00 0.00 C ATOM 497 C THR A 34 11.641 -2.335 -4.306 1.00 0.00 C ATOM 498 O THR A 34 12.684 -2.521 -3.677 1.00 0.00 O ATOM 499 CB THR A 34 10.460 -4.393 -5.154 1.00 0.00 C ATOM 500 OG1 THR A 34 10.185 -3.855 -6.452 1.00 0.00 O ATOM 501 CG2 THR A 34 9.418 -5.454 -4.821 1.00 0.00 C ATOM 0 H THR A 34 8.675 -2.708 -5.078 1.00 0.00 H new ATOM 0 HA THR A 34 10.505 -3.686 -3.114 1.00 0.00 H new ATOM 0 HB THR A 34 11.447 -4.855 -5.140 1.00 0.00 H new ATOM 0 HG1 THR A 34 10.201 -4.576 -7.115 1.00 0.00 H new ATOM 0 HG21 THR A 34 9.453 -6.246 -5.570 1.00 0.00 H new ATOM 0 HG22 THR A 34 9.629 -5.875 -3.838 1.00 0.00 H new ATOM 0 HG23 THR A 34 8.426 -5.001 -4.817 1.00 0.00 H new ATOM 509 N ASP A 35 11.483 -1.323 -5.153 1.00 0.00 N ATOM 510 CA ASP A 35 12.593 -0.435 -5.503 1.00 0.00 C ATOM 511 C ASP A 35 12.652 0.780 -4.579 1.00 0.00 C ATOM 512 O ASP A 35 13.586 0.931 -3.791 1.00 0.00 O ATOM 513 CB ASP A 35 12.473 0.017 -6.966 1.00 0.00 C ATOM 514 CG ASP A 35 13.678 0.807 -7.438 1.00 0.00 C ATOM 515 OD1 ASP A 35 14.648 0.183 -7.920 1.00 0.00 O ATOM 516 OD2 ASP A 35 13.657 2.048 -7.352 1.00 0.00 O ATOM 0 H ASP A 35 10.600 -1.095 -5.610 1.00 0.00 H new ATOM 0 HA ASP A 35 13.519 -0.996 -5.377 1.00 0.00 H new ATOM 0 HB2 ASP A 35 12.346 -0.859 -7.603 1.00 0.00 H new ATOM 0 HB3 ASP A 35 11.577 0.627 -7.081 1.00 0.00 H new ATOM 521 N ASP A 36 11.633 1.624 -4.665 1.00 0.00 N ATOM 522 CA ASP A 36 11.597 2.883 -3.924 1.00 0.00 C ATOM 523 C ASP A 36 11.274 2.651 -2.458 1.00 0.00 C ATOM 524 O ASP A 36 11.953 3.171 -1.576 1.00 0.00 O ATOM 525 CB ASP A 36 10.552 3.839 -4.510 1.00 0.00 C ATOM 526 CG ASP A 36 10.843 4.241 -5.941 1.00 0.00 C ATOM 527 OD1 ASP A 36 10.455 3.491 -6.859 1.00 0.00 O ATOM 528 OD2 ASP A 36 11.437 5.322 -6.149 1.00 0.00 O ATOM 0 H ASP A 36 10.811 1.459 -5.246 1.00 0.00 H new ATOM 0 HA ASP A 36 12.588 3.328 -4.010 1.00 0.00 H new ATOM 0 HB2 ASP A 36 9.571 3.366 -4.465 1.00 0.00 H new ATOM 0 HB3 ASP A 36 10.502 4.735 -3.891 1.00 0.00 H new ATOM 533 N LEU A 37 10.224 1.873 -2.204 1.00 0.00 N ATOM 534 CA LEU A 37 9.765 1.635 -0.837 1.00 0.00 C ATOM 535 C LEU A 37 10.761 0.763 -0.079 1.00 0.00 C ATOM 536 O LEU A 37 10.686 0.666 1.142 1.00 0.00 O ATOM 537 CB LEU A 37 8.367 0.984 -0.807 1.00 0.00 C ATOM 538 CG LEU A 37 7.166 1.876 -1.196 1.00 0.00 C ATOM 539 CD1 LEU A 37 7.020 3.060 -0.265 1.00 0.00 C ATOM 540 CD2 LEU A 37 7.280 2.366 -2.619 1.00 0.00 C ATOM 0 H LEU A 37 9.677 1.399 -2.923 1.00 0.00 H new ATOM 0 HA LEU A 37 9.694 2.606 -0.347 1.00 0.00 H new ATOM 0 HB2 LEU A 37 8.380 0.124 -1.476 1.00 0.00 H new ATOM 0 HB3 LEU A 37 8.193 0.603 0.199 1.00 0.00 H new ATOM 0 HG LEU A 37 6.276 1.252 -1.107 1.00 0.00 H new ATOM 0 HD11 LEU A 37 6.165 3.662 -0.573 1.00 0.00 H new ATOM 0 HD12 LEU A 37 6.866 2.705 0.754 1.00 0.00 H new ATOM 0 HD13 LEU A 37 7.924 3.668 -0.305 1.00 0.00 H new ATOM 0 HD21 LEU A 37 6.419 2.990 -2.859 1.00 0.00 H new ATOM 0 HD22 LEU A 37 8.194 2.950 -2.731 1.00 0.00 H new ATOM 0 HD23 LEU A 37 7.310 1.513 -3.296 1.00 0.00 H new ATOM 552 N ASP A 38 11.679 0.123 -0.821 1.00 0.00 N ATOM 553 CA ASP A 38 12.760 -0.683 -0.233 1.00 0.00 C ATOM 554 C ASP A 38 12.173 -1.831 0.589 1.00 0.00 C ATOM 555 O ASP A 38 12.759 -2.295 1.570 1.00 0.00 O ATOM 556 CB ASP A 38 13.652 0.218 0.637 1.00 0.00 C ATOM 557 CG ASP A 38 14.960 -0.432 1.052 1.00 0.00 C ATOM 558 OD1 ASP A 38 15.816 -0.676 0.173 1.00 0.00 O ATOM 559 OD2 ASP A 38 15.163 -0.655 2.262 1.00 0.00 O ATOM 0 H ASP A 38 11.693 0.150 -1.841 1.00 0.00 H new ATOM 0 HA ASP A 38 13.368 -1.116 -1.027 1.00 0.00 H new ATOM 0 HB2 ASP A 38 13.870 1.135 0.089 1.00 0.00 H new ATOM 0 HB3 ASP A 38 13.100 0.505 1.532 1.00 0.00 H new ATOM 564 N VAL A 39 11.021 -2.311 0.147 1.00 0.00 N ATOM 565 CA VAL A 39 10.222 -3.232 0.932 1.00 0.00 C ATOM 566 C VAL A 39 10.457 -4.694 0.515 1.00 0.00 C ATOM 567 O VAL A 39 10.808 -4.978 -0.632 1.00 0.00 O ATOM 568 CB VAL A 39 8.725 -2.866 0.804 1.00 0.00 C ATOM 569 CG1 VAL A 39 8.043 -3.641 -0.310 1.00 0.00 C ATOM 570 CG2 VAL A 39 8.018 -3.053 2.131 1.00 0.00 C ATOM 0 H VAL A 39 10.618 -2.074 -0.759 1.00 0.00 H new ATOM 0 HA VAL A 39 10.530 -3.141 1.974 1.00 0.00 H new ATOM 0 HB VAL A 39 8.662 -1.813 0.532 1.00 0.00 H new ATOM 0 HG11 VAL A 39 6.993 -3.353 -0.364 1.00 0.00 H new ATOM 0 HG12 VAL A 39 8.530 -3.418 -1.259 1.00 0.00 H new ATOM 0 HG13 VAL A 39 8.116 -4.709 -0.107 1.00 0.00 H new ATOM 0 HG21 VAL A 39 6.966 -2.791 2.023 1.00 0.00 H new ATOM 0 HG22 VAL A 39 8.102 -4.093 2.445 1.00 0.00 H new ATOM 0 HG23 VAL A 39 8.477 -2.409 2.882 1.00 0.00 H new ATOM 580 N ASP A 40 10.282 -5.609 1.467 1.00 0.00 N ATOM 581 CA ASP A 40 10.437 -7.043 1.215 1.00 0.00 C ATOM 582 C ASP A 40 9.080 -7.706 1.125 1.00 0.00 C ATOM 583 O ASP A 40 8.090 -7.124 1.549 1.00 0.00 O ATOM 584 CB ASP A 40 11.221 -7.723 2.344 1.00 0.00 C ATOM 585 CG ASP A 40 12.537 -7.052 2.668 1.00 0.00 C ATOM 586 OD1 ASP A 40 12.522 -6.032 3.391 1.00 0.00 O ATOM 587 OD2 ASP A 40 13.589 -7.555 2.219 1.00 0.00 O ATOM 0 H ASP A 40 10.030 -5.381 2.429 1.00 0.00 H new ATOM 0 HA ASP A 40 10.981 -7.151 0.276 1.00 0.00 H new ATOM 0 HB2 ASP A 40 10.603 -7.741 3.242 1.00 0.00 H new ATOM 0 HB3 ASP A 40 11.412 -8.760 2.067 1.00 0.00 H new ATOM 592 N SER A 41 9.054 -8.941 0.623 1.00 0.00 N ATOM 593 CA SER A 41 7.811 -9.689 0.447 1.00 0.00 C ATOM 594 C SER A 41 6.985 -9.703 1.731 1.00 0.00 C ATOM 595 O SER A 41 5.822 -9.296 1.743 1.00 0.00 O ATOM 596 CB SER A 41 8.125 -11.118 0.005 1.00 0.00 C ATOM 597 OG SER A 41 9.034 -11.741 0.903 1.00 0.00 O ATOM 0 H SER A 41 9.889 -9.448 0.329 1.00 0.00 H new ATOM 0 HA SER A 41 7.221 -9.193 -0.324 1.00 0.00 H new ATOM 0 HB2 SER A 41 7.203 -11.698 -0.045 1.00 0.00 H new ATOM 0 HB3 SER A 41 8.550 -11.107 -0.999 1.00 0.00 H new ATOM 0 HG SER A 41 9.218 -12.655 0.600 1.00 0.00 H new ATOM 603 N LEU A 42 7.592 -10.164 2.814 1.00 0.00 N ATOM 604 CA LEU A 42 6.934 -10.143 4.110 1.00 0.00 C ATOM 605 C LEU A 42 6.646 -8.715 4.540 1.00 0.00 C ATOM 606 O LEU A 42 5.529 -8.397 4.921 1.00 0.00 O ATOM 607 CB LEU A 42 7.786 -10.846 5.172 1.00 0.00 C ATOM 608 CG LEU A 42 7.327 -10.641 6.622 1.00 0.00 C ATOM 609 CD1 LEU A 42 5.877 -11.069 6.799 1.00 0.00 C ATOM 610 CD2 LEU A 42 8.236 -11.398 7.580 1.00 0.00 C ATOM 0 H LEU A 42 8.534 -10.555 2.821 1.00 0.00 H new ATOM 0 HA LEU A 42 5.991 -10.681 4.013 1.00 0.00 H new ATOM 0 HB2 LEU A 42 7.794 -11.915 4.959 1.00 0.00 H new ATOM 0 HB3 LEU A 42 8.814 -10.495 5.080 1.00 0.00 H new ATOM 0 HG LEU A 42 7.393 -9.578 6.854 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.576 -10.914 7.835 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.240 -10.476 6.143 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.776 -12.124 6.546 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.896 -11.242 8.604 1.00 0.00 H new ATOM 0 HD22 LEU A 42 8.206 -12.462 7.346 1.00 0.00 H new ATOM 0 HD23 LEU A 42 9.258 -11.033 7.477 1.00 0.00 H new ATOM 622 N SER A 43 7.656 -7.864 4.450 1.00 0.00 N ATOM 623 CA SER A 43 7.554 -6.484 4.896 1.00 0.00 C ATOM 624 C SER A 43 6.319 -5.789 4.308 1.00 0.00 C ATOM 625 O SER A 43 5.479 -5.263 5.053 1.00 0.00 O ATOM 626 CB SER A 43 8.835 -5.750 4.504 1.00 0.00 C ATOM 627 OG SER A 43 9.977 -6.489 4.909 1.00 0.00 O ATOM 0 H SER A 43 8.568 -8.110 4.066 1.00 0.00 H new ATOM 0 HA SER A 43 7.435 -6.466 5.979 1.00 0.00 H new ATOM 0 HB2 SER A 43 8.858 -5.597 3.425 1.00 0.00 H new ATOM 0 HB3 SER A 43 8.851 -4.763 4.966 1.00 0.00 H new ATOM 0 HG SER A 43 10.771 -6.142 4.450 1.00 0.00 H new ATOM 633 N MET A 44 6.194 -5.820 2.979 1.00 0.00 N ATOM 634 CA MET A 44 5.064 -5.193 2.298 1.00 0.00 C ATOM 635 C MET A 44 3.748 -5.797 2.759 1.00 0.00 C ATOM 636 O MET A 44 2.838 -5.083 3.146 1.00 0.00 O ATOM 637 CB MET A 44 5.199 -5.285 0.763 1.00 0.00 C ATOM 638 CG MET A 44 5.635 -6.649 0.241 1.00 0.00 C ATOM 639 SD MET A 44 6.490 -6.573 -1.352 1.00 0.00 S ATOM 640 CE MET A 44 5.338 -5.624 -2.334 1.00 0.00 C ATOM 0 H MET A 44 6.862 -6.273 2.355 1.00 0.00 H new ATOM 0 HA MET A 44 5.070 -4.136 2.566 1.00 0.00 H new ATOM 0 HB2 MET A 44 4.241 -5.028 0.312 1.00 0.00 H new ATOM 0 HB3 MET A 44 5.919 -4.537 0.430 1.00 0.00 H new ATOM 0 HG2 MET A 44 6.291 -7.117 0.975 1.00 0.00 H new ATOM 0 HG3 MET A 44 4.758 -7.289 0.144 1.00 0.00 H new ATOM 0 HE1 MET A 44 5.207 -6.102 -3.305 1.00 0.00 H new ATOM 0 HE2 MET A 44 4.377 -5.574 -1.821 1.00 0.00 H new ATOM 0 HE3 MET A 44 5.726 -4.615 -2.476 1.00 0.00 H new ATOM 650 N VAL A 45 3.656 -7.109 2.764 1.00 0.00 N ATOM 651 CA VAL A 45 2.419 -7.761 3.151 1.00 0.00 C ATOM 652 C VAL A 45 2.138 -7.572 4.647 1.00 0.00 C ATOM 653 O VAL A 45 0.997 -7.614 5.080 1.00 0.00 O ATOM 654 CB VAL A 45 2.442 -9.260 2.774 1.00 0.00 C ATOM 655 CG1 VAL A 45 1.175 -9.971 3.232 1.00 0.00 C ATOM 656 CG2 VAL A 45 2.618 -9.404 1.268 1.00 0.00 C ATOM 0 H VAL A 45 4.413 -7.742 2.508 1.00 0.00 H new ATOM 0 HA VAL A 45 1.606 -7.289 2.599 1.00 0.00 H new ATOM 0 HB VAL A 45 3.283 -9.730 3.285 1.00 0.00 H new ATOM 0 HG11 VAL A 45 1.226 -11.023 2.950 1.00 0.00 H new ATOM 0 HG12 VAL A 45 1.083 -9.890 4.315 1.00 0.00 H new ATOM 0 HG13 VAL A 45 0.308 -9.510 2.759 1.00 0.00 H new ATOM 0 HG21 VAL A 45 2.634 -10.461 1.003 1.00 0.00 H new ATOM 0 HG22 VAL A 45 1.789 -8.914 0.756 1.00 0.00 H new ATOM 0 HG23 VAL A 45 3.557 -8.940 0.965 1.00 0.00 H new ATOM 666 N GLU A 46 3.167 -7.296 5.429 1.00 0.00 N ATOM 667 CA GLU A 46 3.005 -7.218 6.874 1.00 0.00 C ATOM 668 C GLU A 46 2.279 -5.941 7.294 1.00 0.00 C ATOM 669 O GLU A 46 1.133 -5.991 7.758 1.00 0.00 O ATOM 670 CB GLU A 46 4.381 -7.288 7.556 1.00 0.00 C ATOM 671 CG GLU A 46 4.341 -7.122 9.068 1.00 0.00 C ATOM 672 CD GLU A 46 3.719 -8.310 9.768 1.00 0.00 C ATOM 673 OE1 GLU A 46 2.487 -8.484 9.678 1.00 0.00 O ATOM 674 OE2 GLU A 46 4.462 -9.073 10.413 1.00 0.00 O ATOM 0 H GLU A 46 4.115 -7.123 5.094 1.00 0.00 H new ATOM 0 HA GLU A 46 2.395 -8.065 7.189 1.00 0.00 H new ATOM 0 HB2 GLU A 46 4.842 -8.247 7.320 1.00 0.00 H new ATOM 0 HB3 GLU A 46 5.022 -6.514 7.134 1.00 0.00 H new ATOM 0 HG2 GLU A 46 5.355 -6.976 9.441 1.00 0.00 H new ATOM 0 HG3 GLU A 46 3.777 -6.223 9.316 1.00 0.00 H new ATOM 681 N VAL A 47 2.900 -4.789 7.085 1.00 0.00 N ATOM 682 CA VAL A 47 2.320 -3.561 7.586 1.00 0.00 C ATOM 683 C VAL A 47 1.348 -2.961 6.574 1.00 0.00 C ATOM 684 O VAL A 47 0.445 -2.213 6.940 1.00 0.00 O ATOM 685 CB VAL A 47 3.414 -2.545 7.981 1.00 0.00 C ATOM 686 CG1 VAL A 47 2.820 -1.364 8.726 1.00 0.00 C ATOM 687 CG2 VAL A 47 4.472 -3.222 8.837 1.00 0.00 C ATOM 0 H VAL A 47 3.783 -4.683 6.585 1.00 0.00 H new ATOM 0 HA VAL A 47 1.756 -3.803 8.487 1.00 0.00 H new ATOM 0 HB VAL A 47 3.876 -2.173 7.067 1.00 0.00 H new ATOM 0 HG11 VAL A 47 3.613 -0.665 8.992 1.00 0.00 H new ATOM 0 HG12 VAL A 47 2.092 -0.861 8.090 1.00 0.00 H new ATOM 0 HG13 VAL A 47 2.328 -1.716 9.633 1.00 0.00 H new ATOM 0 HG21 VAL A 47 5.238 -2.496 9.110 1.00 0.00 H new ATOM 0 HG22 VAL A 47 4.010 -3.619 9.741 1.00 0.00 H new ATOM 0 HG23 VAL A 47 4.928 -4.037 8.275 1.00 0.00 H new ATOM 697 N VAL A 48 1.491 -3.326 5.304 1.00 0.00 N ATOM 698 CA VAL A 48 0.585 -2.809 4.283 1.00 0.00 C ATOM 699 C VAL A 48 -0.747 -3.566 4.322 1.00 0.00 C ATOM 700 O VAL A 48 -1.786 -3.020 3.958 1.00 0.00 O ATOM 701 CB VAL A 48 1.208 -2.851 2.868 1.00 0.00 C ATOM 702 CG1 VAL A 48 0.288 -2.229 1.820 1.00 0.00 C ATOM 703 CG2 VAL A 48 2.552 -2.142 2.875 1.00 0.00 C ATOM 0 H VAL A 48 2.209 -3.964 4.961 1.00 0.00 H new ATOM 0 HA VAL A 48 0.400 -1.759 4.511 1.00 0.00 H new ATOM 0 HB VAL A 48 1.348 -3.897 2.597 1.00 0.00 H new ATOM 0 HG11 VAL A 48 0.765 -2.280 0.841 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -0.655 -2.775 1.793 1.00 0.00 H new ATOM 0 HG13 VAL A 48 0.096 -1.187 2.077 1.00 0.00 H new ATOM 0 HG21 VAL A 48 2.986 -2.175 1.876 1.00 0.00 H new ATOM 0 HG22 VAL A 48 2.414 -1.104 3.177 1.00 0.00 H new ATOM 0 HG23 VAL A 48 3.221 -2.638 3.578 1.00 0.00 H new ATOM 713 N VAL A 49 -0.723 -4.817 4.792 1.00 0.00 N ATOM 714 CA VAL A 49 -1.964 -5.532 5.085 1.00 0.00 C ATOM 715 C VAL A 49 -2.593 -4.954 6.348 1.00 0.00 C ATOM 716 O VAL A 49 -3.813 -4.841 6.464 1.00 0.00 O ATOM 717 CB VAL A 49 -1.737 -7.057 5.233 1.00 0.00 C ATOM 718 CG1 VAL A 49 -2.807 -7.713 6.095 1.00 0.00 C ATOM 719 CG2 VAL A 49 -1.707 -7.711 3.861 1.00 0.00 C ATOM 0 H VAL A 49 0.129 -5.347 4.975 1.00 0.00 H new ATOM 0 HA VAL A 49 -2.643 -5.396 4.243 1.00 0.00 H new ATOM 0 HB VAL A 49 -0.779 -7.200 5.732 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -2.608 -8.782 6.171 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -2.795 -7.270 7.091 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -3.786 -7.558 5.641 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -1.547 -8.783 3.973 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -2.656 -7.536 3.354 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -0.896 -7.283 3.271 1.00 0.00 H new ATOM 729 N ALA A 50 -1.748 -4.547 7.288 1.00 0.00 N ATOM 730 CA ALA A 50 -2.222 -3.810 8.453 1.00 0.00 C ATOM 731 C ALA A 50 -2.911 -2.515 8.007 1.00 0.00 C ATOM 732 O ALA A 50 -3.771 -1.977 8.704 1.00 0.00 O ATOM 733 CB ALA A 50 -1.066 -3.515 9.401 1.00 0.00 C ATOM 0 H ALA A 50 -0.742 -4.712 7.268 1.00 0.00 H new ATOM 0 HA ALA A 50 -2.949 -4.420 8.989 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.436 -2.964 10.266 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -0.619 -4.452 9.732 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -0.315 -2.917 8.884 1.00 0.00 H new ATOM 739 N ALA A 51 -2.530 -2.030 6.824 1.00 0.00 N ATOM 740 CA ALA A 51 -3.118 -0.824 6.255 1.00 0.00 C ATOM 741 C ALA A 51 -4.426 -1.112 5.524 1.00 0.00 C ATOM 742 O ALA A 51 -5.370 -0.332 5.632 1.00 0.00 O ATOM 743 CB ALA A 51 -2.142 -0.144 5.306 1.00 0.00 C ATOM 0 H ALA A 51 -1.812 -2.460 6.241 1.00 0.00 H new ATOM 0 HA ALA A 51 -3.338 -0.157 7.089 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -2.602 0.754 4.893 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -1.237 0.129 5.849 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.887 -0.827 4.495 1.00 0.00 H new ATOM 749 N GLU A 52 -4.492 -2.231 4.794 1.00 0.00 N ATOM 750 CA GLU A 52 -5.668 -2.538 3.982 1.00 0.00 C ATOM 751 C GLU A 52 -6.893 -2.628 4.875 1.00 0.00 C ATOM 752 O GLU A 52 -7.917 -1.987 4.630 1.00 0.00 O ATOM 753 CB GLU A 52 -5.490 -3.846 3.177 1.00 0.00 C ATOM 754 CG GLU A 52 -5.318 -5.098 4.026 1.00 0.00 C ATOM 755 CD GLU A 52 -5.738 -6.371 3.315 1.00 0.00 C ATOM 756 OE1 GLU A 52 -6.825 -6.384 2.697 1.00 0.00 O ATOM 757 OE2 GLU A 52 -5.006 -7.375 3.410 1.00 0.00 O ATOM 0 H GLU A 52 -3.751 -2.931 4.750 1.00 0.00 H new ATOM 0 HA GLU A 52 -5.799 -1.732 3.260 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -6.357 -3.979 2.530 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -4.621 -3.742 2.528 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -4.273 -5.185 4.324 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -5.902 -4.991 4.940 1.00 0.00 H new ATOM 764 N GLU A 53 -6.751 -3.369 5.951 1.00 0.00 N ATOM 765 CA GLU A 53 -7.852 -3.618 6.848 1.00 0.00 C ATOM 766 C GLU A 53 -8.340 -2.343 7.528 1.00 0.00 C ATOM 767 O GLU A 53 -9.532 -2.198 7.791 1.00 0.00 O ATOM 768 CB GLU A 53 -7.449 -4.622 7.905 1.00 0.00 C ATOM 769 CG GLU A 53 -6.938 -5.937 7.352 1.00 0.00 C ATOM 770 CD GLU A 53 -6.819 -7.000 8.425 1.00 0.00 C ATOM 771 OE1 GLU A 53 -7.856 -7.360 9.020 1.00 0.00 O ATOM 772 OE2 GLU A 53 -5.691 -7.466 8.693 1.00 0.00 O ATOM 0 H GLU A 53 -5.875 -3.812 6.226 1.00 0.00 H new ATOM 0 HA GLU A 53 -8.670 -4.015 6.246 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -6.676 -4.180 8.533 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -8.307 -4.820 8.547 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -7.611 -6.287 6.569 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -5.964 -5.780 6.888 1.00 0.00 H new ATOM 779 N ARG A 54 -7.429 -1.414 7.808 1.00 0.00 N ATOM 780 CA ARG A 54 -7.796 -0.213 8.553 1.00 0.00 C ATOM 781 C ARG A 54 -8.438 0.832 7.643 1.00 0.00 C ATOM 782 O ARG A 54 -8.914 1.866 8.107 1.00 0.00 O ATOM 783 CB ARG A 54 -6.594 0.368 9.308 1.00 0.00 C ATOM 784 CG ARG A 54 -5.569 1.102 8.461 1.00 0.00 C ATOM 785 CD ARG A 54 -4.535 1.751 9.365 1.00 0.00 C ATOM 786 NE ARG A 54 -3.609 2.634 8.651 1.00 0.00 N ATOM 787 CZ ARG A 54 -3.162 3.787 9.156 1.00 0.00 C ATOM 788 NH1 ARG A 54 -3.647 4.240 10.304 1.00 0.00 N ATOM 789 NH2 ARG A 54 -2.246 4.501 8.515 1.00 0.00 N ATOM 0 H ARG A 54 -6.447 -1.467 7.536 1.00 0.00 H new ATOM 0 HA ARG A 54 -8.539 -0.504 9.295 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -6.965 1.054 10.070 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -6.090 -0.445 9.830 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -5.083 0.407 7.776 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -6.061 1.860 7.851 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -5.048 2.323 10.138 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -3.965 0.971 9.870 1.00 0.00 H new ATOM 0 HE ARG A 54 -3.290 2.355 7.723 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -4.361 3.708 10.801 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -3.306 5.120 10.690 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -1.874 4.171 7.624 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -1.914 5.380 8.913 1.00 0.00 H new ATOM 803 N PHE A 55 -8.448 0.556 6.348 1.00 0.00 N ATOM 804 CA PHE A 55 -9.199 1.369 5.403 1.00 0.00 C ATOM 805 C PHE A 55 -10.453 0.624 4.969 1.00 0.00 C ATOM 806 O PHE A 55 -11.187 1.077 4.094 1.00 0.00 O ATOM 807 CB PHE A 55 -8.343 1.739 4.191 1.00 0.00 C ATOM 808 CG PHE A 55 -7.304 2.787 4.496 1.00 0.00 C ATOM 809 CD1 PHE A 55 -7.667 4.120 4.627 1.00 0.00 C ATOM 810 CD2 PHE A 55 -5.970 2.444 4.643 1.00 0.00 C ATOM 811 CE1 PHE A 55 -6.720 5.085 4.910 1.00 0.00 C ATOM 812 CE2 PHE A 55 -5.019 3.407 4.925 1.00 0.00 C ATOM 813 CZ PHE A 55 -5.394 4.730 5.053 1.00 0.00 C ATOM 0 H PHE A 55 -7.945 -0.225 5.927 1.00 0.00 H new ATOM 0 HA PHE A 55 -9.489 2.297 5.896 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -7.847 0.843 3.817 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -8.991 2.101 3.393 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -8.701 4.406 4.506 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -5.669 1.412 4.536 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -7.017 6.117 5.019 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -3.983 3.125 5.045 1.00 0.00 H new ATOM 0 HZ PHE A 55 -4.651 5.485 5.265 1.00 0.00 H new ATOM 823 N ASP A 56 -10.682 -0.515 5.622 1.00 0.00 N ATOM 824 CA ASP A 56 -11.845 -1.361 5.370 1.00 0.00 C ATOM 825 C ASP A 56 -11.877 -1.855 3.925 1.00 0.00 C ATOM 826 O ASP A 56 -12.705 -1.431 3.119 1.00 0.00 O ATOM 827 CB ASP A 56 -13.136 -0.620 5.731 1.00 0.00 C ATOM 828 CG ASP A 56 -14.367 -1.499 5.629 1.00 0.00 C ATOM 829 OD1 ASP A 56 -14.297 -2.685 6.021 1.00 0.00 O ATOM 830 OD2 ASP A 56 -15.424 -0.995 5.197 1.00 0.00 O ATOM 0 H ASP A 56 -10.061 -0.878 6.345 1.00 0.00 H new ATOM 0 HA ASP A 56 -11.765 -2.240 6.009 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -13.055 -0.233 6.747 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -13.253 0.239 5.071 1.00 0.00 H new ATOM 835 N VAL A 57 -10.927 -2.717 3.596 1.00 0.00 N ATOM 836 CA VAL A 57 -10.887 -3.363 2.294 1.00 0.00 C ATOM 837 C VAL A 57 -10.461 -4.815 2.464 1.00 0.00 C ATOM 838 O VAL A 57 -9.930 -5.189 3.511 1.00 0.00 O ATOM 839 CB VAL A 57 -9.890 -2.645 1.357 1.00 0.00 C ATOM 840 CG1 VAL A 57 -8.478 -2.824 1.873 1.00 0.00 C ATOM 841 CG2 VAL A 57 -9.985 -3.155 -0.071 1.00 0.00 C ATOM 0 H VAL A 57 -10.167 -2.987 4.220 1.00 0.00 H new ATOM 0 HA VAL A 57 -11.881 -3.314 1.850 1.00 0.00 H new ATOM 0 HB VAL A 57 -10.149 -1.586 1.349 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -7.780 -2.315 1.208 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -8.400 -2.400 2.874 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -8.236 -3.886 1.909 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -9.267 -2.623 -0.696 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -9.764 -4.222 -0.092 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -10.992 -2.986 -0.452 1.00 0.00 H new ATOM 851 N LYS A 58 -10.723 -5.636 1.462 1.00 0.00 N ATOM 852 CA LYS A 58 -10.173 -6.975 1.432 1.00 0.00 C ATOM 853 C LYS A 58 -9.370 -7.176 0.159 1.00 0.00 C ATOM 854 O LYS A 58 -9.929 -7.223 -0.939 1.00 0.00 O ATOM 855 CB LYS A 58 -11.286 -8.027 1.519 1.00 0.00 C ATOM 856 CG LYS A 58 -10.777 -9.463 1.445 1.00 0.00 C ATOM 857 CD LYS A 58 -9.866 -9.792 2.618 1.00 0.00 C ATOM 858 CE LYS A 58 -9.151 -11.122 2.437 1.00 0.00 C ATOM 859 NZ LYS A 58 -8.219 -11.104 1.279 1.00 0.00 N ATOM 0 H LYS A 58 -11.311 -5.398 0.663 1.00 0.00 H new ATOM 0 HA LYS A 58 -9.519 -7.096 2.295 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -11.830 -7.891 2.453 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -11.996 -7.860 0.709 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -11.623 -10.150 1.436 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -10.236 -9.611 0.510 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -9.128 -8.998 2.736 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -10.454 -9.820 3.535 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -8.596 -11.361 3.344 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -9.888 -11.913 2.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -7.586 -11.928 1.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -8.764 -11.140 0.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -7.654 -10.231 1.302 1.00 0.00 H new ATOM 873 N ILE A 59 -8.062 -7.280 0.301 1.00 0.00 N ATOM 874 CA ILE A 59 -7.215 -7.638 -0.819 1.00 0.00 C ATOM 875 C ILE A 59 -6.490 -8.936 -0.500 1.00 0.00 C ATOM 876 O ILE A 59 -6.289 -9.266 0.670 1.00 0.00 O ATOM 877 CB ILE A 59 -6.177 -6.539 -1.170 1.00 0.00 C ATOM 878 CG1 ILE A 59 -5.155 -6.370 -0.048 1.00 0.00 C ATOM 879 CG2 ILE A 59 -6.862 -5.206 -1.459 1.00 0.00 C ATOM 880 CD1 ILE A 59 -4.070 -5.369 -0.377 1.00 0.00 C ATOM 0 H ILE A 59 -7.565 -7.122 1.178 1.00 0.00 H new ATOM 0 HA ILE A 59 -7.861 -7.755 -1.689 1.00 0.00 H new ATOM 0 HB ILE A 59 -5.654 -6.861 -2.070 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -5.670 -6.053 0.859 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -4.697 -7.336 0.166 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -6.110 -4.455 -1.702 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -7.544 -5.322 -2.302 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -7.423 -4.887 -0.580 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -3.377 -5.296 0.461 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -3.531 -5.696 -1.267 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -4.519 -4.393 -0.563 1.00 0.00 H new ATOM 892 N PRO A 60 -6.148 -9.729 -1.518 1.00 0.00 N ATOM 893 CA PRO A 60 -5.347 -10.931 -1.325 1.00 0.00 C ATOM 894 C PRO A 60 -3.977 -10.584 -0.764 1.00 0.00 C ATOM 895 O PRO A 60 -3.234 -9.807 -1.362 1.00 0.00 O ATOM 896 CB PRO A 60 -5.223 -11.524 -2.735 1.00 0.00 C ATOM 897 CG PRO A 60 -6.339 -10.909 -3.505 1.00 0.00 C ATOM 898 CD PRO A 60 -6.529 -9.539 -2.921 1.00 0.00 C ATOM 0 HA PRO A 60 -5.797 -11.625 -0.615 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -4.257 -11.287 -3.181 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -5.307 -12.611 -2.716 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -6.098 -10.852 -4.566 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -7.249 -11.502 -3.416 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -5.900 -8.798 -3.414 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -7.560 -9.197 -3.018 1.00 0.00 H new ATOM 906 N ASP A 61 -3.663 -11.140 0.400 1.00 0.00 N ATOM 907 CA ASP A 61 -2.357 -10.950 1.028 1.00 0.00 C ATOM 908 C ASP A 61 -1.245 -11.307 0.049 1.00 0.00 C ATOM 909 O ASP A 61 -0.221 -10.625 -0.034 1.00 0.00 O ATOM 910 CB ASP A 61 -2.242 -11.823 2.286 1.00 0.00 C ATOM 911 CG ASP A 61 -2.369 -13.304 1.975 1.00 0.00 C ATOM 912 OD1 ASP A 61 -3.511 -13.774 1.778 1.00 0.00 O ATOM 913 OD2 ASP A 61 -1.333 -13.995 1.900 1.00 0.00 O ATOM 0 H ASP A 61 -4.300 -11.732 0.934 1.00 0.00 H new ATOM 0 HA ASP A 61 -2.257 -9.902 1.312 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -1.282 -11.637 2.768 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -3.017 -11.536 2.997 1.00 0.00 H new ATOM 918 N ASP A 62 -1.478 -12.366 -0.714 1.00 0.00 N ATOM 919 CA ASP A 62 -0.521 -12.840 -1.696 1.00 0.00 C ATOM 920 C ASP A 62 -0.291 -11.771 -2.757 1.00 0.00 C ATOM 921 O ASP A 62 0.831 -11.561 -3.216 1.00 0.00 O ATOM 922 CB ASP A 62 -1.038 -14.126 -2.347 1.00 0.00 C ATOM 923 CG ASP A 62 0.073 -14.966 -2.944 1.00 0.00 C ATOM 924 OD1 ASP A 62 0.439 -14.744 -4.114 1.00 0.00 O ATOM 925 OD2 ASP A 62 0.589 -15.856 -2.236 1.00 0.00 O ATOM 0 H ASP A 62 -2.335 -12.918 -0.668 1.00 0.00 H new ATOM 0 HA ASP A 62 0.426 -13.051 -1.199 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -1.574 -14.715 -1.603 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -1.755 -13.871 -3.128 1.00 0.00 H new ATOM 930 N ASP A 63 -1.360 -11.060 -3.090 1.00 0.00 N ATOM 931 CA ASP A 63 -1.330 -10.077 -4.169 1.00 0.00 C ATOM 932 C ASP A 63 -0.430 -8.893 -3.817 1.00 0.00 C ATOM 933 O ASP A 63 0.243 -8.349 -4.691 1.00 0.00 O ATOM 934 CB ASP A 63 -2.742 -9.571 -4.481 1.00 0.00 C ATOM 935 CG ASP A 63 -3.065 -9.616 -5.965 1.00 0.00 C ATOM 936 OD1 ASP A 63 -2.265 -9.107 -6.772 1.00 0.00 O ATOM 937 OD2 ASP A 63 -4.129 -10.164 -6.333 1.00 0.00 O ATOM 0 H ASP A 63 -2.265 -11.145 -2.626 1.00 0.00 H new ATOM 0 HA ASP A 63 -0.923 -10.574 -5.050 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -3.469 -10.174 -3.937 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -2.845 -8.547 -4.122 1.00 0.00 H new ATOM 942 N VAL A 64 -0.401 -8.513 -2.531 1.00 0.00 N ATOM 943 CA VAL A 64 0.394 -7.361 -2.087 1.00 0.00 C ATOM 944 C VAL A 64 1.863 -7.558 -2.431 1.00 0.00 C ATOM 945 O VAL A 64 2.560 -6.620 -2.790 1.00 0.00 O ATOM 946 CB VAL A 64 0.283 -7.116 -0.565 1.00 0.00 C ATOM 947 CG1 VAL A 64 0.952 -5.802 -0.189 1.00 0.00 C ATOM 948 CG2 VAL A 64 -1.169 -7.122 -0.107 1.00 0.00 C ATOM 0 H VAL A 64 -0.915 -8.983 -1.786 1.00 0.00 H new ATOM 0 HA VAL A 64 -0.010 -6.494 -2.610 1.00 0.00 H new ATOM 0 HB VAL A 64 0.797 -7.932 -0.057 1.00 0.00 H new ATOM 0 HG11 VAL A 64 0.865 -5.644 0.886 1.00 0.00 H new ATOM 0 HG12 VAL A 64 2.005 -5.838 -0.467 1.00 0.00 H new ATOM 0 HG13 VAL A 64 0.465 -4.982 -0.717 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -1.212 -6.947 0.968 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -1.717 -6.335 -0.625 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -1.619 -8.088 -0.336 1.00 0.00 H new ATOM 958 N LYS A 65 2.316 -8.791 -2.327 1.00 0.00 N ATOM 959 CA LYS A 65 3.699 -9.129 -2.626 1.00 0.00 C ATOM 960 C LYS A 65 3.943 -9.143 -4.136 1.00 0.00 C ATOM 961 O LYS A 65 5.051 -8.871 -4.604 1.00 0.00 O ATOM 962 CB LYS A 65 4.034 -10.486 -1.981 1.00 0.00 C ATOM 963 CG LYS A 65 5.290 -11.170 -2.505 1.00 0.00 C ATOM 964 CD LYS A 65 5.012 -12.001 -3.754 1.00 0.00 C ATOM 965 CE LYS A 65 4.364 -13.343 -3.424 1.00 0.00 C ATOM 966 NZ LYS A 65 2.946 -13.216 -2.990 1.00 0.00 N ATOM 0 H LYS A 65 1.744 -9.583 -2.036 1.00 0.00 H new ATOM 0 HA LYS A 65 4.360 -8.370 -2.208 1.00 0.00 H new ATOM 0 HB2 LYS A 65 4.142 -10.341 -0.906 1.00 0.00 H new ATOM 0 HB3 LYS A 65 3.188 -11.157 -2.128 1.00 0.00 H new ATOM 0 HG2 LYS A 65 6.045 -10.417 -2.732 1.00 0.00 H new ATOM 0 HG3 LYS A 65 5.704 -11.812 -1.728 1.00 0.00 H new ATOM 0 HD2 LYS A 65 4.360 -11.440 -4.423 1.00 0.00 H new ATOM 0 HD3 LYS A 65 5.946 -12.173 -4.289 1.00 0.00 H new ATOM 0 HE2 LYS A 65 4.413 -13.989 -4.301 1.00 0.00 H new ATOM 0 HE3 LYS A 65 4.936 -13.832 -2.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 2.473 -14.139 -3.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 2.913 -12.898 -2.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 2.459 -12.522 -3.593 1.00 0.00 H new ATOM 980 N ASN A 66 2.895 -9.442 -4.891 1.00 0.00 N ATOM 981 CA ASN A 66 3.007 -9.595 -6.339 1.00 0.00 C ATOM 982 C ASN A 66 3.034 -8.247 -7.047 1.00 0.00 C ATOM 983 O ASN A 66 3.519 -8.146 -8.174 1.00 0.00 O ATOM 984 CB ASN A 66 1.861 -10.454 -6.878 1.00 0.00 C ATOM 985 CG ASN A 66 2.108 -11.940 -6.688 1.00 0.00 C ATOM 986 OD1 ASN A 66 1.880 -12.484 -5.611 1.00 0.00 O ATOM 987 ND2 ASN A 66 2.563 -12.613 -7.737 1.00 0.00 N ATOM 0 H ASN A 66 1.954 -9.584 -4.525 1.00 0.00 H new ATOM 0 HA ASN A 66 3.953 -10.097 -6.543 1.00 0.00 H new ATOM 0 HB2 ASN A 66 0.935 -10.176 -6.375 1.00 0.00 H new ATOM 0 HB3 ASN A 66 1.722 -10.245 -7.939 1.00 0.00 H new ATOM 0 HD21 ASN A 66 2.735 -13.616 -7.664 1.00 0.00 H new ATOM 0 HD22 ASN A 66 2.741 -12.128 -8.616 1.00 0.00 H new ATOM 994 N LEU A 67 2.524 -7.214 -6.394 1.00 0.00 N ATOM 995 CA LEU A 67 2.547 -5.875 -6.968 1.00 0.00 C ATOM 996 C LEU A 67 3.875 -5.192 -6.679 1.00 0.00 C ATOM 997 O LEU A 67 4.296 -5.072 -5.530 1.00 0.00 O ATOM 998 CB LEU A 67 1.350 -5.041 -6.478 1.00 0.00 C ATOM 999 CG LEU A 67 1.042 -5.108 -4.979 1.00 0.00 C ATOM 1000 CD1 LEU A 67 1.571 -3.878 -4.253 1.00 0.00 C ATOM 1001 CD2 LEU A 67 -0.457 -5.251 -4.755 1.00 0.00 C ATOM 0 H LEU A 67 2.092 -7.275 -5.472 1.00 0.00 H new ATOM 0 HA LEU A 67 2.452 -5.961 -8.050 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.528 -3.999 -6.744 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.463 -5.363 -7.024 1.00 0.00 H new ATOM 0 HG LEU A 67 1.546 -5.983 -4.569 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.338 -3.954 -3.191 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.651 -3.815 -4.383 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.103 -2.984 -4.664 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.662 -5.298 -3.686 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.973 -4.393 -5.187 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -0.811 -6.165 -5.232 1.00 0.00 H new ATOM 1013 N LYS A 68 4.544 -4.768 -7.747 1.00 0.00 N ATOM 1014 CA LYS A 68 5.889 -4.211 -7.648 1.00 0.00 C ATOM 1015 C LYS A 68 5.870 -2.741 -7.254 1.00 0.00 C ATOM 1016 O LYS A 68 6.895 -2.187 -6.867 1.00 0.00 O ATOM 1017 CB LYS A 68 6.649 -4.375 -8.971 1.00 0.00 C ATOM 1018 CG LYS A 68 7.070 -5.807 -9.278 1.00 0.00 C ATOM 1019 CD LYS A 68 5.907 -6.669 -9.742 1.00 0.00 C ATOM 1020 CE LYS A 68 6.259 -8.148 -9.691 1.00 0.00 C ATOM 1021 NZ LYS A 68 6.470 -8.610 -8.293 1.00 0.00 N ATOM 0 H LYS A 68 4.174 -4.800 -8.697 1.00 0.00 H new ATOM 0 HA LYS A 68 6.402 -4.768 -6.864 1.00 0.00 H new ATOM 0 HB2 LYS A 68 6.022 -4.011 -9.785 1.00 0.00 H new ATOM 0 HB3 LYS A 68 7.538 -3.744 -8.947 1.00 0.00 H new ATOM 0 HG2 LYS A 68 7.841 -5.798 -10.048 1.00 0.00 H new ATOM 0 HG3 LYS A 68 7.514 -6.251 -8.387 1.00 0.00 H new ATOM 0 HD2 LYS A 68 5.037 -6.478 -9.113 1.00 0.00 H new ATOM 0 HD3 LYS A 68 5.631 -6.394 -10.760 1.00 0.00 H new ATOM 0 HE2 LYS A 68 5.460 -8.729 -10.151 1.00 0.00 H new ATOM 0 HE3 LYS A 68 7.161 -8.329 -10.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 6.439 -9.649 -8.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 7.397 -8.281 -7.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 5.722 -8.223 -7.683 1.00 0.00 H new ATOM 1035 N THR A 69 4.714 -2.109 -7.351 1.00 0.00 N ATOM 1036 CA THR A 69 4.601 -0.696 -7.034 1.00 0.00 C ATOM 1037 C THR A 69 3.617 -0.490 -5.896 1.00 0.00 C ATOM 1038 O THR A 69 2.665 -1.255 -5.752 1.00 0.00 O ATOM 1039 CB THR A 69 4.140 0.119 -8.257 1.00 0.00 C ATOM 1040 OG1 THR A 69 2.843 -0.316 -8.673 1.00 0.00 O ATOM 1041 CG2 THR A 69 5.114 -0.040 -9.407 1.00 0.00 C ATOM 0 H THR A 69 3.843 -2.550 -7.646 1.00 0.00 H new ATOM 0 HA THR A 69 5.589 -0.346 -6.735 1.00 0.00 H new ATOM 0 HB THR A 69 4.101 1.170 -7.970 1.00 0.00 H new ATOM 0 HG1 THR A 69 2.915 -0.786 -9.530 1.00 0.00 H new ATOM 0 HG21 THR A 69 4.768 0.544 -10.260 1.00 0.00 H new ATOM 0 HG22 THR A 69 6.099 0.312 -9.101 1.00 0.00 H new ATOM 0 HG23 THR A 69 5.176 -1.091 -9.688 1.00 0.00 H new ATOM 1049 N VAL A 70 3.847 0.536 -5.087 1.00 0.00 N ATOM 1050 CA VAL A 70 2.926 0.856 -4.004 1.00 0.00 C ATOM 1051 C VAL A 70 1.578 1.265 -4.571 1.00 0.00 C ATOM 1052 O VAL A 70 0.527 0.924 -4.023 1.00 0.00 O ATOM 1053 CB VAL A 70 3.477 1.977 -3.084 1.00 0.00 C ATOM 1054 CG1 VAL A 70 4.170 3.052 -3.892 1.00 0.00 C ATOM 1055 CG2 VAL A 70 2.365 2.592 -2.242 1.00 0.00 C ATOM 0 H VAL A 70 4.654 1.155 -5.158 1.00 0.00 H new ATOM 0 HA VAL A 70 2.810 -0.041 -3.396 1.00 0.00 H new ATOM 0 HB VAL A 70 4.207 1.521 -2.415 1.00 0.00 H new ATOM 0 HG11 VAL A 70 4.546 3.825 -3.222 1.00 0.00 H new ATOM 0 HG12 VAL A 70 5.002 2.613 -4.444 1.00 0.00 H new ATOM 0 HG13 VAL A 70 3.462 3.493 -4.593 1.00 0.00 H new ATOM 0 HG21 VAL A 70 2.780 3.375 -1.607 1.00 0.00 H new ATOM 0 HG22 VAL A 70 1.607 3.021 -2.898 1.00 0.00 H new ATOM 0 HG23 VAL A 70 1.912 1.821 -1.619 1.00 0.00 H new ATOM 1065 N GLY A 71 1.626 1.961 -5.699 1.00 0.00 N ATOM 1066 CA GLY A 71 0.425 2.476 -6.310 1.00 0.00 C ATOM 1067 C GLY A 71 -0.484 1.388 -6.831 1.00 0.00 C ATOM 1068 O GLY A 71 -1.707 1.555 -6.859 1.00 0.00 O ATOM 0 H GLY A 71 2.486 2.178 -6.203 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -0.118 3.078 -5.581 1.00 0.00 H new ATOM 0 HA3 GLY A 71 0.697 3.139 -7.131 1.00 0.00 H new ATOM 1072 N ASP A 72 0.112 0.274 -7.240 1.00 0.00 N ATOM 1073 CA ASP A 72 -0.649 -0.864 -7.738 1.00 0.00 C ATOM 1074 C ASP A 72 -1.561 -1.379 -6.634 1.00 0.00 C ATOM 1075 O ASP A 72 -2.725 -1.700 -6.865 1.00 0.00 O ATOM 1076 CB ASP A 72 0.298 -1.971 -8.205 1.00 0.00 C ATOM 1077 CG ASP A 72 -0.317 -2.875 -9.253 1.00 0.00 C ATOM 1078 OD1 ASP A 72 -1.022 -3.834 -8.885 1.00 0.00 O ATOM 1079 OD2 ASP A 72 -0.072 -2.635 -10.457 1.00 0.00 O ATOM 0 H ASP A 72 1.122 0.135 -7.236 1.00 0.00 H new ATOM 0 HA ASP A 72 -1.254 -0.550 -8.589 1.00 0.00 H new ATOM 0 HB2 ASP A 72 1.204 -1.519 -8.609 1.00 0.00 H new ATOM 0 HB3 ASP A 72 0.597 -2.571 -7.346 1.00 0.00 H new ATOM 1084 N ALA A 73 -1.021 -1.409 -5.419 1.00 0.00 N ATOM 1085 CA ALA A 73 -1.784 -1.812 -4.245 1.00 0.00 C ATOM 1086 C ALA A 73 -2.855 -0.800 -3.919 1.00 0.00 C ATOM 1087 O ALA A 73 -3.959 -1.162 -3.529 1.00 0.00 O ATOM 1088 CB ALA A 73 -0.892 -1.945 -3.032 1.00 0.00 C ATOM 0 H ALA A 73 -0.052 -1.157 -5.223 1.00 0.00 H new ATOM 0 HA ALA A 73 -2.237 -2.774 -4.483 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -1.490 -2.247 -2.172 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -0.127 -2.697 -3.224 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -0.415 -0.987 -2.824 1.00 0.00 H new ATOM 1094 N THR A 74 -2.522 0.473 -4.065 1.00 0.00 N ATOM 1095 CA THR A 74 -3.410 1.521 -3.623 1.00 0.00 C ATOM 1096 C THR A 74 -4.682 1.500 -4.440 1.00 0.00 C ATOM 1097 O THR A 74 -5.772 1.435 -3.888 1.00 0.00 O ATOM 1098 CB THR A 74 -2.763 2.911 -3.712 1.00 0.00 C ATOM 1099 OG1 THR A 74 -1.343 2.790 -3.823 1.00 0.00 O ATOM 1100 CG2 THR A 74 -3.098 3.712 -2.471 1.00 0.00 C ATOM 0 H THR A 74 -1.650 0.797 -4.483 1.00 0.00 H new ATOM 0 HA THR A 74 -3.637 1.330 -2.574 1.00 0.00 H new ATOM 0 HB THR A 74 -3.150 3.420 -4.595 1.00 0.00 H new ATOM 0 HG1 THR A 74 -0.933 3.677 -3.752 1.00 0.00 H new ATOM 0 HG21 THR A 74 -2.637 4.697 -2.538 1.00 0.00 H new ATOM 0 HG22 THR A 74 -4.179 3.822 -2.390 1.00 0.00 H new ATOM 0 HG23 THR A 74 -2.719 3.194 -1.590 1.00 0.00 H new ATOM 1108 N LYS A 75 -4.535 1.507 -5.758 1.00 0.00 N ATOM 1109 CA LYS A 75 -5.683 1.422 -6.646 1.00 0.00 C ATOM 1110 C LYS A 75 -6.443 0.117 -6.405 1.00 0.00 C ATOM 1111 O LYS A 75 -7.668 0.096 -6.437 1.00 0.00 O ATOM 1112 CB LYS A 75 -5.246 1.520 -8.110 1.00 0.00 C ATOM 1113 CG LYS A 75 -4.937 2.935 -8.595 1.00 0.00 C ATOM 1114 CD LYS A 75 -6.132 3.868 -8.429 1.00 0.00 C ATOM 1115 CE LYS A 75 -6.237 4.872 -9.575 1.00 0.00 C ATOM 1116 NZ LYS A 75 -5.081 5.806 -9.657 1.00 0.00 N ATOM 0 H LYS A 75 -3.635 1.570 -6.233 1.00 0.00 H new ATOM 0 HA LYS A 75 -6.346 2.260 -6.431 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -4.360 0.901 -8.252 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -6.032 1.100 -8.738 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -4.087 3.331 -8.039 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -4.645 2.903 -9.645 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -7.048 3.279 -8.378 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -6.045 4.404 -7.484 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -6.322 4.329 -10.516 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -7.153 5.451 -9.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -5.292 6.561 -10.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -4.906 6.225 -8.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -4.235 5.286 -9.966 1.00 0.00 H new ATOM 1130 N TYR A 76 -5.696 -0.950 -6.131 1.00 0.00 N ATOM 1131 CA TYR A 76 -6.267 -2.268 -5.851 1.00 0.00 C ATOM 1132 C TYR A 76 -7.120 -2.230 -4.576 1.00 0.00 C ATOM 1133 O TYR A 76 -8.163 -2.879 -4.482 1.00 0.00 O ATOM 1134 CB TYR A 76 -5.123 -3.273 -5.698 1.00 0.00 C ATOM 1135 CG TYR A 76 -5.515 -4.728 -5.851 1.00 0.00 C ATOM 1136 CD1 TYR A 76 -6.113 -5.424 -4.810 1.00 0.00 C ATOM 1137 CD2 TYR A 76 -5.255 -5.411 -7.032 1.00 0.00 C ATOM 1138 CE1 TYR A 76 -6.449 -6.757 -4.942 1.00 0.00 C ATOM 1139 CE2 TYR A 76 -5.592 -6.743 -7.173 1.00 0.00 C ATOM 1140 CZ TYR A 76 -6.184 -7.412 -6.124 1.00 0.00 C ATOM 1141 OH TYR A 76 -6.504 -8.743 -6.256 1.00 0.00 O ATOM 0 H TYR A 76 -4.677 -0.927 -6.096 1.00 0.00 H new ATOM 0 HA TYR A 76 -6.915 -2.567 -6.675 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -4.356 -3.041 -6.437 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -4.671 -3.137 -4.716 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -6.319 -4.914 -3.880 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -4.782 -4.893 -7.853 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -6.917 -7.283 -4.123 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -5.392 -7.258 -8.101 1.00 0.00 H new ATOM 0 HH TYR A 76 -5.685 -9.265 -6.383 1.00 0.00 H new ATOM 1151 N ILE A 77 -6.649 -1.483 -3.588 1.00 0.00 N ATOM 1152 CA ILE A 77 -7.399 -1.263 -2.356 1.00 0.00 C ATOM 1153 C ILE A 77 -8.624 -0.399 -2.631 1.00 0.00 C ATOM 1154 O ILE A 77 -9.683 -0.577 -2.034 1.00 0.00 O ATOM 1155 CB ILE A 77 -6.512 -0.591 -1.277 1.00 0.00 C ATOM 1156 CG1 ILE A 77 -5.535 -1.610 -0.695 1.00 0.00 C ATOM 1157 CG2 ILE A 77 -7.355 0.031 -0.169 1.00 0.00 C ATOM 1158 CD1 ILE A 77 -4.485 -0.998 0.207 1.00 0.00 C ATOM 0 H ILE A 77 -5.743 -1.015 -3.615 1.00 0.00 H new ATOM 0 HA ILE A 77 -7.722 -2.234 -1.980 1.00 0.00 H new ATOM 0 HB ILE A 77 -5.950 0.212 -1.754 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -6.095 -2.357 -0.132 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -5.039 -2.133 -1.513 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -6.701 0.493 0.570 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -8.014 0.788 -0.594 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -7.954 -0.743 0.310 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -3.827 -1.781 0.583 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -3.899 -0.272 -0.357 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -4.971 -0.499 1.045 1.00 0.00 H new ATOM 1170 N LEU A 78 -8.473 0.510 -3.571 1.00 0.00 N ATOM 1171 CA LEU A 78 -9.483 1.513 -3.843 1.00 0.00 C ATOM 1172 C LEU A 78 -10.655 0.956 -4.655 1.00 0.00 C ATOM 1173 O LEU A 78 -11.799 1.353 -4.444 1.00 0.00 O ATOM 1174 CB LEU A 78 -8.832 2.696 -4.558 1.00 0.00 C ATOM 1175 CG LEU A 78 -7.748 3.412 -3.743 1.00 0.00 C ATOM 1176 CD1 LEU A 78 -7.106 4.514 -4.571 1.00 0.00 C ATOM 1177 CD2 LEU A 78 -8.355 3.987 -2.472 1.00 0.00 C ATOM 0 H LEU A 78 -7.648 0.575 -4.168 1.00 0.00 H new ATOM 0 HA LEU A 78 -9.902 1.843 -2.893 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -8.394 2.344 -5.492 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -9.606 3.416 -4.821 1.00 0.00 H new ATOM 0 HG LEU A 78 -6.975 2.693 -3.471 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -6.339 5.013 -3.980 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -6.653 4.082 -5.463 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -7.866 5.238 -4.865 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -7.581 4.495 -1.896 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -9.139 4.698 -2.733 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -8.781 3.181 -1.875 1.00 0.00 H new ATOM 1189 N ASP A 79 -10.384 0.038 -5.576 1.00 0.00 N ATOM 1190 CA ASP A 79 -11.452 -0.522 -6.403 1.00 0.00 C ATOM 1191 C ASP A 79 -12.105 -1.734 -5.735 1.00 0.00 C ATOM 1192 O ASP A 79 -13.087 -2.273 -6.241 1.00 0.00 O ATOM 1193 CB ASP A 79 -10.949 -0.881 -7.811 1.00 0.00 C ATOM 1194 CG ASP A 79 -10.119 -2.148 -7.864 1.00 0.00 C ATOM 1195 OD1 ASP A 79 -9.038 -2.181 -7.251 1.00 0.00 O ATOM 1196 OD2 ASP A 79 -10.533 -3.107 -8.547 1.00 0.00 O ATOM 0 H ASP A 79 -9.453 -0.330 -5.769 1.00 0.00 H new ATOM 0 HA ASP A 79 -12.212 0.252 -6.507 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -11.806 -0.992 -8.475 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -10.354 -0.053 -8.195 1.00 0.00 H new ATOM 1201 N HIS A 80 -11.567 -2.156 -4.594 1.00 0.00 N ATOM 1202 CA HIS A 80 -12.127 -3.294 -3.859 1.00 0.00 C ATOM 1203 C HIS A 80 -12.491 -2.910 -2.426 1.00 0.00 C ATOM 1204 O HIS A 80 -12.714 -3.783 -1.587 1.00 0.00 O ATOM 1205 CB HIS A 80 -11.138 -4.472 -3.817 1.00 0.00 C ATOM 1206 CG HIS A 80 -10.841 -5.089 -5.151 1.00 0.00 C ATOM 1207 ND1 HIS A 80 -11.593 -6.105 -5.702 1.00 0.00 N ATOM 1208 CD2 HIS A 80 -9.854 -4.836 -6.038 1.00 0.00 C ATOM 1209 CE1 HIS A 80 -11.078 -6.444 -6.870 1.00 0.00 C ATOM 1210 NE2 HIS A 80 -10.022 -5.687 -7.102 1.00 0.00 N ATOM 0 H HIS A 80 -10.748 -1.732 -4.157 1.00 0.00 H new ATOM 0 HA HIS A 80 -13.029 -3.595 -4.391 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -10.203 -4.128 -3.375 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -11.539 -5.242 -3.157 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -9.074 -4.097 -5.930 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -11.458 -7.213 -7.526 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -9.430 -5.727 -7.932 1.00 0.00 H new ATOM 1219 N GLN A 81 -12.555 -1.610 -2.143 1.00 0.00 N ATOM 1220 CA GLN A 81 -12.786 -1.137 -0.778 1.00 0.00 C ATOM 1221 C GLN A 81 -14.240 -1.346 -0.349 1.00 0.00 C ATOM 1222 O GLN A 81 -15.134 -1.468 -1.191 1.00 0.00 O ATOM 1223 CB GLN A 81 -12.408 0.343 -0.653 1.00 0.00 C ATOM 1224 CG GLN A 81 -13.197 1.262 -1.571 1.00 0.00 C ATOM 1225 CD GLN A 81 -12.749 2.707 -1.472 1.00 0.00 C ATOM 1226 OE1 GLN A 81 -13.539 3.630 -1.665 1.00 0.00 O ATOM 1227 NE2 GLN A 81 -11.474 2.913 -1.174 1.00 0.00 N ATOM 0 H GLN A 81 -12.451 -0.869 -2.836 1.00 0.00 H new ATOM 0 HA GLN A 81 -12.152 -1.725 -0.114 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -12.559 0.660 0.379 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -11.346 0.456 -0.869 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -13.089 0.921 -2.601 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -14.256 1.196 -1.323 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -10.851 2.120 -1.021 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -11.116 3.865 -1.097 1.00 0.00 H new ATOM 1236 N ALA A 82 -14.447 -1.388 0.968 1.00 0.00 N ATOM 1237 CA ALA A 82 -15.772 -1.530 1.568 1.00 0.00 C ATOM 1238 C ALA A 82 -16.414 -2.867 1.201 1.00 0.00 C ATOM 1239 O ALA A 82 -15.990 -3.899 1.766 1.00 0.00 O ATOM 1240 CB ALA A 82 -16.669 -0.363 1.175 1.00 0.00 C ATOM 1241 OXT ALA A 82 -17.356 -2.884 0.375 1.00 0.00 O ATOM 0 H ALA A 82 -13.693 -1.324 1.652 1.00 0.00 H new ATOM 0 HA ALA A 82 -15.650 -1.516 2.651 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -17.650 -0.488 1.632 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -16.224 0.570 1.521 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -16.775 -0.335 0.091 1.00 0.00 H new TER 1247 ALA A 82