USER MOD reduce.3.24.130724 H: found=0, std=0, add=510, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 511 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 7 THR OG1 : rot -160:sc= 0.43 USER MOD Set 1.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 6 LYS NZ :NH3+ 153:sc= -0.777 (180deg=-1.67) USER MOD Single : A 11 LYS NZ :NH3+ -154:sc= 0.651 (180deg=-0.316!) 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 22 THR OG1 : rot 180:sc= -0.0856 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=-0.059) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -1.78! C(o=-1.8!,f=-2.4!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -1.31! K(o=-1.3!,f=0) USER MOD Single : A 41 GLN : amide:sc= -8.35! C(o=-8.3!,f=-1.8!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.781 K(o=-0.78,f=-1.7!) USER MOD ----------------------------------------------------------------- ATOM 20 N GLN A 2 52.929 -9.797 1.637 1.00 0.00 N ATOM 21 CA GLN A 2 53.633 -8.540 1.860 1.00 0.00 C ATOM 22 C GLN A 2 54.954 -8.786 2.580 1.00 0.00 C ATOM 23 O GLN A 2 55.125 -9.803 3.251 1.00 0.00 O ATOM 24 CB GLN A 2 52.763 -7.594 2.691 1.00 0.00 C ATOM 25 CG GLN A 2 52.861 -7.976 4.170 1.00 0.00 C ATOM 26 CD GLN A 2 51.630 -7.478 4.919 1.00 0.00 C ATOM 27 OE1 GLN A 2 51.063 -6.444 4.565 1.00 0.00 O ATOM 28 NE2 GLN A 2 51.176 -8.158 5.936 1.00 0.00 N ATOM 0 HA GLN A 2 53.841 -8.085 0.892 1.00 0.00 H new ATOM 0 HB2 GLN A 2 53.089 -6.564 2.548 1.00 0.00 H new ATOM 0 HB3 GLN A 2 51.727 -7.649 2.358 1.00 0.00 H new ATOM 0 HG2 GLN A 2 52.945 -9.058 4.270 1.00 0.00 H new ATOM 0 HG3 GLN A 2 53.762 -7.545 4.607 1.00 0.00 H new ATOM 0 HE21 GLN A 2 51.647 -9.014 6.228 1.00 0.00 H new ATOM 0 HE22 GLN A 2 50.350 -7.833 6.439 1.00 0.00 H new ATOM 37 N ILE A 3 55.883 -7.845 2.431 1.00 0.00 N ATOM 38 CA ILE A 3 57.192 -7.962 3.068 1.00 0.00 C ATOM 39 C ILE A 3 57.499 -6.717 3.894 1.00 0.00 C ATOM 40 O ILE A 3 56.970 -5.638 3.628 1.00 0.00 O ATOM 41 CB ILE A 3 58.274 -8.153 2.005 1.00 0.00 C ATOM 42 CG1 ILE A 3 58.115 -7.089 0.919 1.00 0.00 C ATOM 43 CG2 ILE A 3 58.136 -9.543 1.381 1.00 0.00 C ATOM 44 CD1 ILE A 3 59.487 -6.750 0.334 1.00 0.00 C ATOM 0 H ILE A 3 55.755 -6.998 1.878 1.00 0.00 H new ATOM 0 HA ILE A 3 57.178 -8.828 3.730 1.00 0.00 H new ATOM 0 HB ILE A 3 59.257 -8.058 2.466 1.00 0.00 H new ATOM 0 HG12 ILE A 3 57.452 -7.452 0.133 1.00 0.00 H new ATOM 0 HG13 ILE A 3 57.654 -6.194 1.336 1.00 0.00 H new ATOM 0 HG21 ILE A 3 58.907 -9.680 0.623 1.00 0.00 H new ATOM 0 HG22 ILE A 3 58.249 -10.302 2.155 1.00 0.00 H new ATOM 0 HG23 ILE A 3 57.153 -9.639 0.920 1.00 0.00 H new ATOM 0 HD11 ILE A 3 59.375 -5.991 -0.441 1.00 0.00 H new ATOM 0 HD12 ILE A 3 60.135 -6.370 1.123 1.00 0.00 H new ATOM 0 HD13 ILE A 3 59.930 -7.647 -0.098 1.00 0.00 H new ATOM 56 N PHE A 4 58.357 -6.876 4.897 1.00 0.00 N ATOM 57 CA PHE A 4 58.730 -5.762 5.762 1.00 0.00 C ATOM 58 C PHE A 4 60.152 -5.304 5.460 1.00 0.00 C ATOM 59 O PHE A 4 61.038 -6.124 5.220 1.00 0.00 O ATOM 60 CB PHE A 4 58.634 -6.187 7.229 1.00 0.00 C ATOM 61 CG PHE A 4 57.182 -6.311 7.624 1.00 0.00 C ATOM 62 CD1 PHE A 4 56.437 -5.164 7.920 1.00 0.00 C ATOM 63 CD2 PHE A 4 56.584 -7.574 7.696 1.00 0.00 C ATOM 64 CE1 PHE A 4 55.091 -5.281 8.289 1.00 0.00 C ATOM 65 CE2 PHE A 4 55.237 -7.690 8.063 1.00 0.00 C ATOM 66 CZ PHE A 4 54.491 -6.544 8.360 1.00 0.00 C ATOM 0 H PHE A 4 58.806 -7.762 5.130 1.00 0.00 H new ATOM 0 HA PHE A 4 58.044 -4.936 5.575 1.00 0.00 H new ATOM 0 HB2 PHE A 4 59.145 -7.139 7.377 1.00 0.00 H new ATOM 0 HB3 PHE A 4 59.133 -5.455 7.864 1.00 0.00 H new ATOM 0 HD1 PHE A 4 56.899 -4.190 7.864 1.00 0.00 H new ATOM 0 HD2 PHE A 4 57.160 -8.459 7.469 1.00 0.00 H new ATOM 0 HE1 PHE A 4 54.516 -4.396 8.519 1.00 0.00 H new ATOM 0 HE2 PHE A 4 54.774 -8.664 8.117 1.00 0.00 H new ATOM 0 HZ PHE A 4 53.453 -6.634 8.644 1.00 0.00 H new ATOM 76 N VAL A 5 60.363 -3.990 5.476 1.00 0.00 N ATOM 77 CA VAL A 5 61.684 -3.425 5.207 1.00 0.00 C ATOM 78 C VAL A 5 62.139 -2.557 6.374 1.00 0.00 C ATOM 79 O VAL A 5 61.500 -1.557 6.703 1.00 0.00 O ATOM 80 CB VAL A 5 61.647 -2.588 3.927 1.00 0.00 C ATOM 81 CG1 VAL A 5 63.008 -1.925 3.712 1.00 0.00 C ATOM 82 CG2 VAL A 5 61.330 -3.496 2.735 1.00 0.00 C ATOM 0 H VAL A 5 59.639 -3.298 5.672 1.00 0.00 H new ATOM 0 HA VAL A 5 62.391 -4.245 5.080 1.00 0.00 H new ATOM 0 HB VAL A 5 60.878 -1.820 4.016 1.00 0.00 H new ATOM 0 HG11 VAL A 5 62.982 -1.329 2.800 1.00 0.00 H new ATOM 0 HG12 VAL A 5 63.237 -1.281 4.561 1.00 0.00 H new ATOM 0 HG13 VAL A 5 63.776 -2.693 3.622 1.00 0.00 H new ATOM 0 HG21 VAL A 5 61.303 -2.902 1.822 1.00 0.00 H new ATOM 0 HG22 VAL A 5 62.100 -4.262 2.647 1.00 0.00 H new ATOM 0 HG23 VAL A 5 60.361 -3.971 2.887 1.00 0.00 H new ATOM 92 N LYS A 6 63.245 -2.946 7.000 1.00 0.00 N ATOM 93 CA LYS A 6 63.776 -2.195 8.131 1.00 0.00 C ATOM 94 C LYS A 6 64.913 -1.282 7.686 1.00 0.00 C ATOM 95 O LYS A 6 65.806 -1.700 6.949 1.00 0.00 O ATOM 96 CB LYS A 6 64.284 -3.159 9.205 1.00 0.00 C ATOM 97 CG LYS A 6 65.213 -2.411 10.164 1.00 0.00 C ATOM 98 CD LYS A 6 65.236 -3.128 11.515 1.00 0.00 C ATOM 99 CE LYS A 6 65.658 -4.585 11.312 1.00 0.00 C ATOM 100 NZ LYS A 6 66.808 -4.643 10.367 1.00 0.00 N ATOM 0 H LYS A 6 63.788 -3.771 6.745 1.00 0.00 H new ATOM 0 HA LYS A 6 62.974 -1.581 8.542 1.00 0.00 H new ATOM 0 HB2 LYS A 6 63.444 -3.585 9.754 1.00 0.00 H new ATOM 0 HB3 LYS A 6 64.815 -3.990 8.741 1.00 0.00 H new ATOM 0 HG2 LYS A 6 66.220 -2.363 9.749 1.00 0.00 H new ATOM 0 HG3 LYS A 6 64.871 -1.384 10.291 1.00 0.00 H new ATOM 0 HD2 LYS A 6 65.929 -2.628 12.192 1.00 0.00 H new ATOM 0 HD3 LYS A 6 64.250 -3.085 11.979 1.00 0.00 H new ATOM 0 HE2 LYS A 6 65.936 -5.031 12.267 1.00 0.00 H new ATOM 0 HE3 LYS A 6 64.823 -5.165 10.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 67.375 -5.493 10.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 66.453 -4.681 9.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 67.400 -3.796 10.488 1.00 0.00 H new ATOM 114 N THR A 7 64.873 -0.031 8.139 1.00 0.00 N ATOM 115 CA THR A 7 65.905 0.935 7.783 1.00 0.00 C ATOM 116 C THR A 7 66.865 1.146 8.948 1.00 0.00 C ATOM 117 O THR A 7 66.773 0.469 9.971 1.00 0.00 O ATOM 118 CB THR A 7 65.261 2.270 7.401 1.00 0.00 C ATOM 119 OG1 THR A 7 64.999 3.021 8.579 1.00 0.00 O ATOM 120 CG2 THR A 7 63.952 2.014 6.655 1.00 0.00 C ATOM 0 H THR A 7 64.142 0.334 8.749 1.00 0.00 H new ATOM 0 HA THR A 7 66.464 0.545 6.932 1.00 0.00 H new ATOM 0 HB THR A 7 65.939 2.829 6.756 1.00 0.00 H new ATOM 0 HG1 THR A 7 64.323 3.704 8.388 1.00 0.00 H new ATOM 0 HG21 THR A 7 63.495 2.966 6.384 1.00 0.00 H new ATOM 0 HG22 THR A 7 64.155 1.439 5.752 1.00 0.00 H new ATOM 0 HG23 THR A 7 63.271 1.455 7.296 1.00 0.00 H new ATOM 128 N LEU A 8 67.787 2.090 8.785 1.00 0.00 N ATOM 129 CA LEU A 8 68.761 2.381 9.831 1.00 0.00 C ATOM 130 C LEU A 8 68.132 3.237 10.925 1.00 0.00 C ATOM 131 O LEU A 8 68.753 3.503 11.955 1.00 0.00 O ATOM 132 CB LEU A 8 69.964 3.115 9.235 1.00 0.00 C ATOM 133 CG LEU A 8 70.788 2.143 8.390 1.00 0.00 C ATOM 134 CD1 LEU A 8 71.466 2.905 7.250 1.00 0.00 C ATOM 135 CD2 LEU A 8 71.855 1.484 9.267 1.00 0.00 C ATOM 0 H LEU A 8 67.880 2.662 7.946 1.00 0.00 H new ATOM 0 HA LEU A 8 69.090 1.438 10.267 1.00 0.00 H new ATOM 0 HB2 LEU A 8 69.626 3.950 8.622 1.00 0.00 H new ATOM 0 HB3 LEU A 8 70.580 3.533 10.032 1.00 0.00 H new ATOM 0 HG LEU A 8 70.133 1.377 7.976 1.00 0.00 H new ATOM 0 HD11 LEU A 8 72.053 2.212 6.648 1.00 0.00 H new ATOM 0 HD12 LEU A 8 70.707 3.376 6.625 1.00 0.00 H new ATOM 0 HD13 LEU A 8 72.121 3.671 7.664 1.00 0.00 H new ATOM 0 HD21 LEU A 8 72.443 0.791 8.666 1.00 0.00 H new ATOM 0 HD22 LEU A 8 72.510 2.251 9.681 1.00 0.00 H new ATOM 0 HD23 LEU A 8 71.373 0.941 10.080 1.00 0.00 H new ATOM 147 N THR A 9 66.895 3.667 10.697 1.00 0.00 N ATOM 148 CA THR A 9 66.189 4.492 11.671 1.00 0.00 C ATOM 149 C THR A 9 65.242 3.641 12.509 1.00 0.00 C ATOM 150 O THR A 9 64.672 4.115 13.492 1.00 0.00 O ATOM 151 CB THR A 9 65.398 5.586 10.953 1.00 0.00 C ATOM 152 OG1 THR A 9 64.089 5.113 10.671 1.00 0.00 O ATOM 153 CG2 THR A 9 66.103 5.956 9.647 1.00 0.00 C ATOM 0 H THR A 9 66.363 3.459 9.852 1.00 0.00 H new ATOM 0 HA THR A 9 66.925 4.951 12.331 1.00 0.00 H new ATOM 0 HB THR A 9 65.336 6.468 11.590 1.00 0.00 H new ATOM 0 HG1 THR A 9 63.580 5.813 10.212 1.00 0.00 H new ATOM 0 HG21 THR A 9 65.538 6.736 9.137 1.00 0.00 H new ATOM 0 HG22 THR A 9 67.107 6.320 9.866 1.00 0.00 H new ATOM 0 HG23 THR A 9 66.167 5.076 9.006 1.00 0.00 H new ATOM 161 N GLY A 10 65.076 2.384 12.113 1.00 0.00 N ATOM 162 CA GLY A 10 64.192 1.476 12.836 1.00 0.00 C ATOM 163 C GLY A 10 62.837 1.368 12.144 1.00 0.00 C ATOM 164 O GLY A 10 62.318 0.271 11.944 1.00 0.00 O ATOM 0 H GLY A 10 65.538 1.972 11.302 1.00 0.00 H new ATOM 0 HA2 GLY A 10 64.651 0.490 12.900 1.00 0.00 H new ATOM 0 HA3 GLY A 10 64.056 1.831 13.857 1.00 0.00 H new ATOM 168 N LYS A 11 62.270 2.514 11.783 1.00 0.00 N ATOM 169 CA LYS A 11 60.975 2.538 11.115 1.00 0.00 C ATOM 170 C LYS A 11 60.895 1.433 10.065 1.00 0.00 C ATOM 171 O LYS A 11 61.687 1.401 9.124 1.00 0.00 O ATOM 172 CB LYS A 11 60.754 3.897 10.448 1.00 0.00 C ATOM 173 CG LYS A 11 59.365 3.936 9.809 1.00 0.00 C ATOM 174 CD LYS A 11 59.504 4.042 8.288 1.00 0.00 C ATOM 175 CE LYS A 11 60.093 5.406 7.925 1.00 0.00 C ATOM 176 NZ LYS A 11 61.299 5.213 7.070 1.00 0.00 N ATOM 0 H LYS A 11 62.684 3.433 11.941 1.00 0.00 H new ATOM 0 HA LYS A 11 60.199 2.372 11.862 1.00 0.00 H new ATOM 0 HB2 LYS A 11 60.849 4.695 11.185 1.00 0.00 H new ATOM 0 HB3 LYS A 11 61.519 4.070 9.691 1.00 0.00 H new ATOM 0 HG2 LYS A 11 58.807 3.037 10.072 1.00 0.00 H new ATOM 0 HG3 LYS A 11 58.800 4.786 10.193 1.00 0.00 H new ATOM 0 HD2 LYS A 11 60.147 3.245 7.914 1.00 0.00 H new ATOM 0 HD3 LYS A 11 58.531 3.916 7.813 1.00 0.00 H new ATOM 0 HE2 LYS A 11 59.352 6.006 7.397 1.00 0.00 H new ATOM 0 HE3 LYS A 11 60.359 5.952 8.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 61.936 6.028 7.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 61.795 4.346 7.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 61.009 5.130 6.075 1.00 0.00 H new ATOM 190 N THR A 12 59.933 0.532 10.232 1.00 0.00 N ATOM 191 CA THR A 12 59.760 -0.569 9.293 1.00 0.00 C ATOM 192 C THR A 12 58.698 -0.223 8.254 1.00 0.00 C ATOM 193 O THR A 12 57.624 0.276 8.592 1.00 0.00 O ATOM 194 CB THR A 12 59.346 -1.837 10.044 1.00 0.00 C ATOM 195 OG1 THR A 12 60.071 -1.920 11.263 1.00 0.00 O ATOM 196 CG2 THR A 12 59.650 -3.065 9.183 1.00 0.00 C ATOM 0 H THR A 12 59.266 0.542 11.003 1.00 0.00 H new ATOM 0 HA THR A 12 60.709 -0.741 8.785 1.00 0.00 H new ATOM 0 HB THR A 12 58.278 -1.801 10.257 1.00 0.00 H new ATOM 0 HG1 THR A 12 59.806 -2.730 11.746 1.00 0.00 H new ATOM 0 HG21 THR A 12 59.355 -3.967 9.719 1.00 0.00 H new ATOM 0 HG22 THR A 12 59.094 -3.000 8.248 1.00 0.00 H new ATOM 0 HG23 THR A 12 60.718 -3.104 8.968 1.00 0.00 H new ATOM 204 N ILE A 13 59.006 -0.494 6.989 1.00 0.00 N ATOM 205 CA ILE A 13 58.072 -0.210 5.903 1.00 0.00 C ATOM 206 C ILE A 13 57.458 -1.500 5.374 1.00 0.00 C ATOM 207 O ILE A 13 58.091 -2.555 5.396 1.00 0.00 O ATOM 208 CB ILE A 13 58.797 0.510 4.765 1.00 0.00 C ATOM 209 CG1 ILE A 13 60.087 1.141 5.297 1.00 0.00 C ATOM 210 CG2 ILE A 13 57.894 1.604 4.195 1.00 0.00 C ATOM 211 CD1 ILE A 13 60.678 2.064 4.231 1.00 0.00 C ATOM 0 H ILE A 13 59.890 -0.907 6.691 1.00 0.00 H new ATOM 0 HA ILE A 13 57.278 0.428 6.291 1.00 0.00 H new ATOM 0 HB ILE A 13 59.040 -0.207 3.981 1.00 0.00 H new ATOM 0 HG12 ILE A 13 59.881 1.704 6.207 1.00 0.00 H new ATOM 0 HG13 ILE A 13 60.804 0.363 5.559 1.00 0.00 H new ATOM 0 HG21 ILE A 13 58.411 2.117 3.384 1.00 0.00 H new ATOM 0 HG22 ILE A 13 56.976 1.156 3.814 1.00 0.00 H new ATOM 0 HG23 ILE A 13 57.650 2.320 4.980 1.00 0.00 H new ATOM 0 HD11 ILE A 13 61.596 2.514 4.608 1.00 0.00 H new ATOM 0 HD12 ILE A 13 60.899 1.488 3.332 1.00 0.00 H new ATOM 0 HD13 ILE A 13 59.961 2.849 3.991 1.00 0.00 H new ATOM 223 N THR A 14 56.222 -1.406 4.893 1.00 0.00 N ATOM 224 CA THR A 14 55.531 -2.570 4.351 1.00 0.00 C ATOM 225 C THR A 14 55.487 -2.497 2.829 1.00 0.00 C ATOM 226 O THR A 14 54.934 -1.555 2.260 1.00 0.00 O ATOM 227 CB THR A 14 54.104 -2.632 4.903 1.00 0.00 C ATOM 228 OG1 THR A 14 54.082 -2.095 6.219 1.00 0.00 O ATOM 229 CG2 THR A 14 53.631 -4.086 4.937 1.00 0.00 C ATOM 0 H THR A 14 55.682 -0.541 4.868 1.00 0.00 H new ATOM 0 HA THR A 14 56.073 -3.468 4.648 1.00 0.00 H new ATOM 0 HB THR A 14 53.441 -2.051 4.262 1.00 0.00 H new ATOM 0 HG1 THR A 14 53.169 -2.133 6.572 1.00 0.00 H new ATOM 0 HG21 THR A 14 52.615 -4.129 5.330 1.00 0.00 H new ATOM 0 HG22 THR A 14 53.647 -4.498 3.928 1.00 0.00 H new ATOM 0 HG23 THR A 14 54.293 -4.669 5.577 1.00 0.00 H new ATOM 237 N LEU A 15 56.076 -3.498 2.178 1.00 0.00 N ATOM 238 CA LEU A 15 56.108 -3.542 0.718 1.00 0.00 C ATOM 239 C LEU A 15 55.315 -4.738 0.202 1.00 0.00 C ATOM 240 O LEU A 15 55.431 -5.846 0.725 1.00 0.00 O ATOM 241 CB LEU A 15 57.559 -3.644 0.232 1.00 0.00 C ATOM 242 CG LEU A 15 58.028 -2.295 -0.327 1.00 0.00 C ATOM 243 CD1 LEU A 15 57.253 -1.961 -1.606 1.00 0.00 C ATOM 244 CD2 LEU A 15 57.792 -1.198 0.714 1.00 0.00 C ATOM 0 H LEU A 15 56.535 -4.286 2.636 1.00 0.00 H new ATOM 0 HA LEU A 15 55.657 -2.627 0.334 1.00 0.00 H new ATOM 0 HB2 LEU A 15 58.205 -3.949 1.055 1.00 0.00 H new ATOM 0 HB3 LEU A 15 57.639 -4.412 -0.537 1.00 0.00 H new ATOM 0 HG LEU A 15 59.091 -2.356 -0.558 1.00 0.00 H new ATOM 0 HD11 LEU A 15 57.592 -1.002 -1.997 1.00 0.00 H new ATOM 0 HD12 LEU A 15 57.427 -2.738 -2.350 1.00 0.00 H new ATOM 0 HD13 LEU A 15 56.188 -1.906 -1.382 1.00 0.00 H new ATOM 0 HD21 LEU A 15 58.126 -0.240 0.315 1.00 0.00 H new ATOM 0 HD22 LEU A 15 56.729 -1.142 0.950 1.00 0.00 H new ATOM 0 HD23 LEU A 15 58.353 -1.429 1.620 1.00 0.00 H new ATOM 256 N GLU A 16 54.510 -4.505 -0.831 1.00 0.00 N ATOM 257 CA GLU A 16 53.707 -5.570 -1.416 1.00 0.00 C ATOM 258 C GLU A 16 54.330 -6.049 -2.722 1.00 0.00 C ATOM 259 O GLU A 16 54.615 -5.249 -3.614 1.00 0.00 O ATOM 260 CB GLU A 16 52.285 -5.067 -1.680 1.00 0.00 C ATOM 261 CG GLU A 16 51.450 -6.192 -2.295 1.00 0.00 C ATOM 262 CD GLU A 16 49.967 -5.848 -2.208 1.00 0.00 C ATOM 263 OE1 GLU A 16 49.160 -6.731 -2.445 1.00 0.00 O ATOM 264 OE2 GLU A 16 49.661 -4.707 -1.906 1.00 0.00 O ATOM 0 H GLU A 16 54.398 -3.594 -1.276 1.00 0.00 H new ATOM 0 HA GLU A 16 53.672 -6.403 -0.714 1.00 0.00 H new ATOM 0 HB2 GLU A 16 51.829 -4.729 -0.749 1.00 0.00 H new ATOM 0 HB3 GLU A 16 52.310 -4.210 -2.353 1.00 0.00 H new ATOM 0 HG2 GLU A 16 51.737 -6.341 -3.336 1.00 0.00 H new ATOM 0 HG3 GLU A 16 51.646 -7.129 -1.773 1.00 0.00 H new ATOM 271 N VAL A 17 54.544 -7.356 -2.829 1.00 0.00 N ATOM 272 CA VAL A 17 55.139 -7.925 -4.032 1.00 0.00 C ATOM 273 C VAL A 17 54.478 -9.253 -4.384 1.00 0.00 C ATOM 274 O VAL A 17 53.716 -9.809 -3.592 1.00 0.00 O ATOM 275 CB VAL A 17 56.638 -8.139 -3.820 1.00 0.00 C ATOM 276 CG1 VAL A 17 57.317 -6.789 -3.572 1.00 0.00 C ATOM 277 CG2 VAL A 17 56.857 -9.047 -2.608 1.00 0.00 C ATOM 0 H VAL A 17 54.316 -8.036 -2.104 1.00 0.00 H new ATOM 0 HA VAL A 17 54.983 -7.228 -4.855 1.00 0.00 H new ATOM 0 HB VAL A 17 57.067 -8.605 -4.707 1.00 0.00 H new ATOM 0 HG11 VAL A 17 58.386 -6.942 -3.421 1.00 0.00 H new ATOM 0 HG12 VAL A 17 57.161 -6.140 -4.434 1.00 0.00 H new ATOM 0 HG13 VAL A 17 56.888 -6.323 -2.685 1.00 0.00 H new ATOM 0 HG21 VAL A 17 57.925 -9.200 -2.456 1.00 0.00 H new ATOM 0 HG22 VAL A 17 56.428 -8.580 -1.721 1.00 0.00 H new ATOM 0 HG23 VAL A 17 56.374 -10.009 -2.782 1.00 0.00 H new ATOM 287 N GLU A 18 54.778 -9.755 -5.579 1.00 0.00 N ATOM 288 CA GLU A 18 54.213 -11.021 -6.035 1.00 0.00 C ATOM 289 C GLU A 18 55.314 -11.902 -6.635 1.00 0.00 C ATOM 290 O GLU A 18 56.326 -11.390 -7.113 1.00 0.00 O ATOM 291 CB GLU A 18 53.128 -10.752 -7.084 1.00 0.00 C ATOM 292 CG GLU A 18 52.688 -9.289 -7.006 1.00 0.00 C ATOM 293 CD GLU A 18 51.509 -9.049 -7.942 1.00 0.00 C ATOM 294 OE1 GLU A 18 50.605 -9.868 -7.945 1.00 0.00 O ATOM 295 OE2 GLU A 18 51.528 -8.051 -8.644 1.00 0.00 O ATOM 0 H GLU A 18 55.406 -9.307 -6.246 1.00 0.00 H new ATOM 0 HA GLU A 18 53.770 -11.542 -5.186 1.00 0.00 H new ATOM 0 HB2 GLU A 18 53.509 -10.975 -8.081 1.00 0.00 H new ATOM 0 HB3 GLU A 18 52.274 -11.408 -6.915 1.00 0.00 H new ATOM 0 HG2 GLU A 18 52.407 -9.039 -5.983 1.00 0.00 H new ATOM 0 HG3 GLU A 18 53.517 -8.636 -7.278 1.00 0.00 H new ATOM 302 N PRO A 19 55.148 -13.205 -6.617 1.00 0.00 N ATOM 303 CA PRO A 19 56.166 -14.147 -7.170 1.00 0.00 C ATOM 304 C PRO A 19 56.276 -14.056 -8.690 1.00 0.00 C ATOM 305 O PRO A 19 56.840 -14.942 -9.334 1.00 0.00 O ATOM 306 CB PRO A 19 55.664 -15.529 -6.745 1.00 0.00 C ATOM 307 CG PRO A 19 54.200 -15.370 -6.508 1.00 0.00 C ATOM 308 CD PRO A 19 53.980 -13.922 -6.073 1.00 0.00 C ATOM 0 HA PRO A 19 57.166 -13.920 -6.799 1.00 0.00 H new ATOM 0 HB2 PRO A 19 55.857 -16.271 -7.520 1.00 0.00 H new ATOM 0 HB3 PRO A 19 56.172 -15.870 -5.843 1.00 0.00 H new ATOM 0 HG2 PRO A 19 53.635 -15.592 -7.413 1.00 0.00 H new ATOM 0 HG3 PRO A 19 53.855 -16.062 -5.739 1.00 0.00 H new ATOM 0 HD2 PRO A 19 53.046 -13.523 -6.470 1.00 0.00 H new ATOM 0 HD3 PRO A 19 53.928 -13.835 -4.988 1.00 0.00 H new ATOM 316 N SER A 20 55.734 -12.981 -9.253 1.00 0.00 N ATOM 317 CA SER A 20 55.772 -12.774 -10.697 1.00 0.00 C ATOM 318 C SER A 20 56.574 -11.520 -11.036 1.00 0.00 C ATOM 319 O SER A 20 57.183 -11.430 -12.101 1.00 0.00 O ATOM 320 CB SER A 20 54.351 -12.632 -11.241 1.00 0.00 C ATOM 321 OG SER A 20 53.916 -11.288 -11.075 1.00 0.00 O ATOM 0 H SER A 20 55.264 -12.240 -8.733 1.00 0.00 H new ATOM 0 HA SER A 20 56.253 -13.637 -11.157 1.00 0.00 H new ATOM 0 HB2 SER A 20 54.324 -12.908 -12.295 1.00 0.00 H new ATOM 0 HB3 SER A 20 53.679 -13.311 -10.717 1.00 0.00 H new ATOM 0 HG SER A 20 53.005 -11.193 -11.425 1.00 0.00 H new ATOM 327 N ASP A 21 56.568 -10.556 -10.121 1.00 0.00 N ATOM 328 CA ASP A 21 57.298 -9.311 -10.333 1.00 0.00 C ATOM 329 C ASP A 21 58.722 -9.427 -9.798 1.00 0.00 C ATOM 330 O ASP A 21 58.995 -10.222 -8.899 1.00 0.00 O ATOM 331 CB ASP A 21 56.581 -8.158 -9.630 1.00 0.00 C ATOM 332 CG ASP A 21 55.408 -7.679 -10.477 1.00 0.00 C ATOM 333 OD1 ASP A 21 54.741 -8.519 -11.060 1.00 0.00 O ATOM 334 OD2 ASP A 21 55.191 -6.479 -10.531 1.00 0.00 O ATOM 0 H ASP A 21 56.070 -10.611 -9.232 1.00 0.00 H new ATOM 0 HA ASP A 21 57.338 -9.114 -11.404 1.00 0.00 H new ATOM 0 HB2 ASP A 21 56.225 -8.482 -8.652 1.00 0.00 H new ATOM 0 HB3 ASP A 21 57.277 -7.336 -9.460 1.00 0.00 H new ATOM 339 N THR A 22 59.626 -8.630 -10.358 1.00 0.00 N ATOM 340 CA THR A 22 61.020 -8.652 -9.931 1.00 0.00 C ATOM 341 C THR A 22 61.252 -7.651 -8.803 1.00 0.00 C ATOM 342 O THR A 22 60.514 -6.675 -8.665 1.00 0.00 O ATOM 343 CB THR A 22 61.935 -8.316 -11.111 1.00 0.00 C ATOM 344 OG1 THR A 22 61.641 -7.006 -11.576 1.00 0.00 O ATOM 345 CG2 THR A 22 61.706 -9.323 -12.239 1.00 0.00 C ATOM 0 H THR A 22 59.420 -7.965 -11.104 1.00 0.00 H new ATOM 0 HA THR A 22 61.252 -9.653 -9.566 1.00 0.00 H new ATOM 0 HB THR A 22 62.976 -8.364 -10.791 1.00 0.00 H new ATOM 0 HG1 THR A 22 62.227 -6.788 -12.331 1.00 0.00 H new ATOM 0 HG21 THR A 22 62.358 -9.083 -13.079 1.00 0.00 H new ATOM 0 HG22 THR A 22 61.930 -10.328 -11.881 1.00 0.00 H new ATOM 0 HG23 THR A 22 60.666 -9.277 -12.562 1.00 0.00 H new ATOM 353 N ILE A 23 62.282 -7.900 -8.002 1.00 0.00 N ATOM 354 CA ILE A 23 62.603 -7.013 -6.889 1.00 0.00 C ATOM 355 C ILE A 23 62.803 -5.584 -7.384 1.00 0.00 C ATOM 356 O ILE A 23 62.851 -4.643 -6.592 1.00 0.00 O ATOM 357 CB ILE A 23 63.878 -7.495 -6.190 1.00 0.00 C ATOM 358 CG1 ILE A 23 63.659 -8.911 -5.640 1.00 0.00 C ATOM 359 CG2 ILE A 23 64.230 -6.537 -5.048 1.00 0.00 C ATOM 360 CD1 ILE A 23 63.083 -8.848 -4.222 1.00 0.00 C ATOM 0 H ILE A 23 62.905 -8.702 -8.101 1.00 0.00 H new ATOM 0 HA ILE A 23 61.772 -7.029 -6.184 1.00 0.00 H new ATOM 0 HB ILE A 23 64.701 -7.514 -6.905 1.00 0.00 H new ATOM 0 HG12 ILE A 23 62.980 -9.460 -6.292 1.00 0.00 H new ATOM 0 HG13 ILE A 23 64.603 -9.455 -5.632 1.00 0.00 H new ATOM 0 HG21 ILE A 23 65.137 -6.881 -4.551 1.00 0.00 H new ATOM 0 HG22 ILE A 23 64.393 -5.537 -5.449 1.00 0.00 H new ATOM 0 HG23 ILE A 23 63.411 -6.511 -4.330 1.00 0.00 H new ATOM 0 HD11 ILE A 23 62.933 -9.860 -3.845 1.00 0.00 H new ATOM 0 HD12 ILE A 23 63.777 -8.317 -3.571 1.00 0.00 H new ATOM 0 HD13 ILE A 23 62.128 -8.322 -4.240 1.00 0.00 H new ATOM 372 N GLU A 24 62.918 -5.430 -8.699 1.00 0.00 N ATOM 373 CA GLU A 24 63.110 -4.110 -9.290 1.00 0.00 C ATOM 374 C GLU A 24 61.941 -3.193 -8.945 1.00 0.00 C ATOM 375 O GLU A 24 62.132 -2.015 -8.643 1.00 0.00 O ATOM 376 CB GLU A 24 63.237 -4.232 -10.810 1.00 0.00 C ATOM 377 CG GLU A 24 63.505 -2.852 -11.415 1.00 0.00 C ATOM 378 CD GLU A 24 62.321 -2.419 -12.272 1.00 0.00 C ATOM 379 OE1 GLU A 24 61.895 -3.206 -13.101 1.00 0.00 O ATOM 380 OE2 GLU A 24 61.858 -1.305 -12.090 1.00 0.00 O ATOM 0 H GLU A 24 62.882 -6.196 -9.371 1.00 0.00 H new ATOM 0 HA GLU A 24 64.025 -3.680 -8.883 1.00 0.00 H new ATOM 0 HB2 GLU A 24 64.048 -4.915 -11.064 1.00 0.00 H new ATOM 0 HB3 GLU A 24 62.323 -4.653 -11.229 1.00 0.00 H new ATOM 0 HG2 GLU A 24 63.675 -2.125 -10.621 1.00 0.00 H new ATOM 0 HG3 GLU A 24 64.411 -2.881 -12.020 1.00 0.00 H new ATOM 387 N ASN A 25 60.732 -3.742 -8.996 1.00 0.00 N ATOM 388 CA ASN A 25 59.538 -2.964 -8.687 1.00 0.00 C ATOM 389 C ASN A 25 59.548 -2.520 -7.228 1.00 0.00 C ATOM 390 O ASN A 25 59.190 -1.386 -6.912 1.00 0.00 O ATOM 391 CB ASN A 25 58.285 -3.800 -8.958 1.00 0.00 C ATOM 392 CG ASN A 25 57.420 -3.118 -10.013 1.00 0.00 C ATOM 393 OD1 ASN A 25 57.055 -1.951 -9.859 1.00 0.00 O ATOM 394 ND2 ASN A 25 57.067 -3.779 -11.080 1.00 0.00 N ATOM 0 H ASN A 25 60.554 -4.715 -9.246 1.00 0.00 H new ATOM 0 HA ASN A 25 59.531 -2.079 -9.324 1.00 0.00 H new ATOM 0 HB2 ASN A 25 58.569 -4.796 -9.297 1.00 0.00 H new ATOM 0 HB3 ASN A 25 57.717 -3.927 -8.037 1.00 0.00 H new ATOM 0 HD21 ASN A 25 56.488 -3.330 -11.789 1.00 0.00 H new ATOM 0 HD22 ASN A 25 57.370 -4.745 -11.205 1.00 0.00 H new ATOM 401 N ALA A 26 59.963 -3.421 -6.345 1.00 0.00 N ATOM 402 CA ALA A 26 60.016 -3.112 -4.920 1.00 0.00 C ATOM 403 C ALA A 26 60.962 -1.944 -4.660 1.00 0.00 C ATOM 404 O ALA A 26 60.654 -1.046 -3.876 1.00 0.00 O ATOM 405 CB ALA A 26 60.490 -4.339 -4.137 1.00 0.00 C ATOM 0 H ALA A 26 60.266 -4.364 -6.587 1.00 0.00 H new ATOM 0 HA ALA A 26 59.015 -2.835 -4.590 1.00 0.00 H new ATOM 0 HB1 ALA A 26 60.527 -4.100 -3.074 1.00 0.00 H new ATOM 0 HB2 ALA A 26 59.797 -5.164 -4.300 1.00 0.00 H new ATOM 0 HB3 ALA A 26 61.484 -4.627 -4.479 1.00 0.00 H new ATOM 411 N LYS A 27 62.113 -1.963 -5.323 1.00 0.00 N ATOM 412 CA LYS A 27 63.097 -0.898 -5.156 1.00 0.00 C ATOM 413 C LYS A 27 62.516 0.441 -5.596 1.00 0.00 C ATOM 414 O LYS A 27 62.698 1.458 -4.927 1.00 0.00 O ATOM 415 CB LYS A 27 64.349 -1.210 -5.978 1.00 0.00 C ATOM 416 CG LYS A 27 65.140 -2.330 -5.299 1.00 0.00 C ATOM 417 CD LYS A 27 66.095 -2.967 -6.309 1.00 0.00 C ATOM 418 CE LYS A 27 66.966 -1.881 -6.943 1.00 0.00 C ATOM 419 NZ LYS A 27 68.198 -2.502 -7.509 1.00 0.00 N ATOM 0 H LYS A 27 62.387 -2.697 -5.976 1.00 0.00 H new ATOM 0 HA LYS A 27 63.363 -0.836 -4.101 1.00 0.00 H new ATOM 0 HB2 LYS A 27 64.069 -1.509 -6.988 1.00 0.00 H new ATOM 0 HB3 LYS A 27 64.968 -0.318 -6.070 1.00 0.00 H new ATOM 0 HG2 LYS A 27 65.701 -1.932 -4.453 1.00 0.00 H new ATOM 0 HG3 LYS A 27 64.458 -3.083 -4.903 1.00 0.00 H new ATOM 0 HD2 LYS A 27 66.722 -3.709 -5.815 1.00 0.00 H new ATOM 0 HD3 LYS A 27 65.530 -3.491 -7.080 1.00 0.00 H new ATOM 0 HE2 LYS A 27 66.411 -1.367 -7.728 1.00 0.00 H new ATOM 0 HE3 LYS A 27 67.233 -1.132 -6.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 68.791 -1.765 -7.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 68.729 -2.974 -6.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 67.934 -3.201 -8.232 1.00 0.00 H new ATOM 433 N ALA A 28 61.816 0.434 -6.727 1.00 0.00 N ATOM 434 CA ALA A 28 61.212 1.656 -7.246 1.00 0.00 C ATOM 435 C ALA A 28 60.113 2.148 -6.312 1.00 0.00 C ATOM 436 O ALA A 28 59.906 3.352 -6.162 1.00 0.00 O ATOM 437 CB ALA A 28 60.627 1.399 -8.636 1.00 0.00 C ATOM 0 H ALA A 28 61.654 -0.396 -7.297 1.00 0.00 H new ATOM 0 HA ALA A 28 61.985 2.422 -7.313 1.00 0.00 H new ATOM 0 HB1 ALA A 28 60.178 2.316 -9.017 1.00 0.00 H new ATOM 0 HB2 ALA A 28 61.420 1.076 -9.310 1.00 0.00 H new ATOM 0 HB3 ALA A 28 59.866 0.621 -8.572 1.00 0.00 H new ATOM 443 N LYS A 29 59.412 1.209 -5.684 1.00 0.00 N ATOM 444 CA LYS A 29 58.336 1.560 -4.764 1.00 0.00 C ATOM 445 C LYS A 29 58.892 2.294 -3.548 1.00 0.00 C ATOM 446 O LYS A 29 58.362 3.327 -3.141 1.00 0.00 O ATOM 447 CB LYS A 29 57.605 0.296 -4.310 1.00 0.00 C ATOM 448 CG LYS A 29 56.341 0.106 -5.152 1.00 0.00 C ATOM 449 CD LYS A 29 55.826 -1.325 -4.984 1.00 0.00 C ATOM 450 CE LYS A 29 54.429 -1.439 -5.598 1.00 0.00 C ATOM 451 NZ LYS A 29 53.408 -1.051 -4.585 1.00 0.00 N ATOM 0 H LYS A 29 59.568 0.207 -5.794 1.00 0.00 H new ATOM 0 HA LYS A 29 57.637 2.216 -5.283 1.00 0.00 H new ATOM 0 HB2 LYS A 29 58.257 -0.571 -4.414 1.00 0.00 H new ATOM 0 HB3 LYS A 29 57.343 0.374 -3.255 1.00 0.00 H new ATOM 0 HG2 LYS A 29 55.575 0.818 -4.844 1.00 0.00 H new ATOM 0 HG3 LYS A 29 56.557 0.305 -6.202 1.00 0.00 H new ATOM 0 HD2 LYS A 29 56.506 -2.027 -5.467 1.00 0.00 H new ATOM 0 HD3 LYS A 29 55.793 -1.589 -3.927 1.00 0.00 H new ATOM 0 HE2 LYS A 29 54.351 -0.794 -6.474 1.00 0.00 H new ATOM 0 HE3 LYS A 29 54.251 -2.460 -5.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 52.458 -1.128 -5.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 53.477 -1.683 -3.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 53.574 -0.070 -4.283 1.00 0.00 H new ATOM 465 N ILE A 30 59.962 1.754 -2.975 1.00 0.00 N ATOM 466 CA ILE A 30 60.583 2.367 -1.806 1.00 0.00 C ATOM 467 C ILE A 30 61.080 3.771 -2.140 1.00 0.00 C ATOM 468 O ILE A 30 61.058 4.666 -1.295 1.00 0.00 O ATOM 469 CB ILE A 30 61.748 1.505 -1.323 1.00 0.00 C ATOM 470 CG1 ILE A 30 61.209 0.410 -0.402 1.00 0.00 C ATOM 471 CG2 ILE A 30 62.754 2.367 -0.552 1.00 0.00 C ATOM 472 CD1 ILE A 30 62.283 -0.654 -0.198 1.00 0.00 C ATOM 0 H ILE A 30 60.415 0.899 -3.298 1.00 0.00 H new ATOM 0 HA ILE A 30 59.838 2.440 -1.014 1.00 0.00 H new ATOM 0 HB ILE A 30 62.248 1.058 -2.182 1.00 0.00 H new ATOM 0 HG12 ILE A 30 60.918 0.837 0.558 1.00 0.00 H new ATOM 0 HG13 ILE A 30 60.315 -0.038 -0.836 1.00 0.00 H new ATOM 0 HG21 ILE A 30 63.581 1.744 -0.211 1.00 0.00 H new ATOM 0 HG22 ILE A 30 63.136 3.152 -1.205 1.00 0.00 H new ATOM 0 HG23 ILE A 30 62.261 2.819 0.309 1.00 0.00 H new ATOM 0 HD11 ILE A 30 61.901 -1.436 0.458 1.00 0.00 H new ATOM 0 HD12 ILE A 30 62.552 -1.088 -1.161 1.00 0.00 H new ATOM 0 HD13 ILE A 30 63.164 -0.199 0.254 1.00 0.00 H new ATOM 484 N GLN A 31 61.533 3.952 -3.375 1.00 0.00 N ATOM 485 CA GLN A 31 62.040 5.246 -3.810 1.00 0.00 C ATOM 486 C GLN A 31 60.929 6.293 -3.809 1.00 0.00 C ATOM 487 O GLN A 31 61.138 7.430 -3.393 1.00 0.00 O ATOM 488 CB GLN A 31 62.631 5.130 -5.215 1.00 0.00 C ATOM 489 CG GLN A 31 62.948 6.527 -5.755 1.00 0.00 C ATOM 490 CD GLN A 31 61.754 7.068 -6.535 1.00 0.00 C ATOM 491 OE1 GLN A 31 61.134 6.339 -7.309 1.00 0.00 O ATOM 492 NE2 GLN A 31 61.396 8.313 -6.379 1.00 0.00 N ATOM 0 H GLN A 31 61.559 3.223 -4.088 1.00 0.00 H new ATOM 0 HA GLN A 31 62.816 5.560 -3.112 1.00 0.00 H new ATOM 0 HB2 GLN A 31 63.537 4.524 -5.191 1.00 0.00 H new ATOM 0 HB3 GLN A 31 61.927 4.624 -5.876 1.00 0.00 H new ATOM 0 HG2 GLN A 31 63.189 7.198 -4.931 1.00 0.00 H new ATOM 0 HG3 GLN A 31 63.826 6.486 -6.400 1.00 0.00 H new ATOM 0 HE21 GLN A 31 61.911 8.915 -5.737 1.00 0.00 H new ATOM 0 HE22 GLN A 31 60.601 8.684 -6.899 1.00 0.00 H new ATOM 501 N ASP A 32 59.752 5.903 -4.284 1.00 0.00 N ATOM 502 CA ASP A 32 58.620 6.823 -4.340 1.00 0.00 C ATOM 503 C ASP A 32 58.005 7.019 -2.958 1.00 0.00 C ATOM 504 O ASP A 32 57.227 7.949 -2.744 1.00 0.00 O ATOM 505 CB ASP A 32 57.557 6.281 -5.298 1.00 0.00 C ATOM 506 CG ASP A 32 57.903 6.662 -6.732 1.00 0.00 C ATOM 507 OD1 ASP A 32 57.975 5.769 -7.560 1.00 0.00 O ATOM 508 OD2 ASP A 32 58.084 7.842 -6.986 1.00 0.00 O ATOM 0 H ASP A 32 59.556 4.965 -4.633 1.00 0.00 H new ATOM 0 HA ASP A 32 58.983 7.786 -4.698 1.00 0.00 H new ATOM 0 HB2 ASP A 32 57.493 5.197 -5.207 1.00 0.00 H new ATOM 0 HB3 ASP A 32 56.579 6.682 -5.033 1.00 0.00 H new ATOM 513 N LYS A 33 58.344 6.136 -2.025 1.00 0.00 N ATOM 514 CA LYS A 33 57.801 6.228 -0.672 1.00 0.00 C ATOM 515 C LYS A 33 58.729 7.019 0.248 1.00 0.00 C ATOM 516 O LYS A 33 58.267 7.810 1.070 1.00 0.00 O ATOM 517 CB LYS A 33 57.594 4.825 -0.098 1.00 0.00 C ATOM 518 CG LYS A 33 56.619 4.047 -0.983 1.00 0.00 C ATOM 519 CD LYS A 33 55.289 3.869 -0.249 1.00 0.00 C ATOM 520 CE LYS A 33 54.289 3.162 -1.166 1.00 0.00 C ATOM 521 NZ LYS A 33 52.918 3.286 -0.595 1.00 0.00 N ATOM 0 H LYS A 33 58.984 5.357 -2.176 1.00 0.00 H new ATOM 0 HA LYS A 33 56.846 6.751 -0.730 1.00 0.00 H new ATOM 0 HB2 LYS A 33 58.548 4.300 -0.041 1.00 0.00 H new ATOM 0 HB3 LYS A 33 57.205 4.891 0.918 1.00 0.00 H new ATOM 0 HG2 LYS A 33 56.460 4.579 -1.921 1.00 0.00 H new ATOM 0 HG3 LYS A 33 57.039 3.074 -1.236 1.00 0.00 H new ATOM 0 HD2 LYS A 33 55.439 3.287 0.660 1.00 0.00 H new ATOM 0 HD3 LYS A 33 54.897 4.840 0.055 1.00 0.00 H new ATOM 0 HE2 LYS A 33 54.320 3.601 -2.163 1.00 0.00 H new ATOM 0 HE3 LYS A 33 54.557 2.111 -1.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 52.238 2.806 -1.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 52.894 2.848 0.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 52.665 4.292 -0.516 1.00 0.00 H new ATOM 535 N GLU A 34 60.033 6.795 0.114 1.00 0.00 N ATOM 536 CA GLU A 34 61.007 7.488 0.955 1.00 0.00 C ATOM 537 C GLU A 34 61.712 8.602 0.188 1.00 0.00 C ATOM 538 O GLU A 34 62.352 9.467 0.785 1.00 0.00 O ATOM 539 CB GLU A 34 62.043 6.492 1.478 1.00 0.00 C ATOM 540 CG GLU A 34 61.339 5.408 2.299 1.00 0.00 C ATOM 541 CD GLU A 34 61.947 5.337 3.696 1.00 0.00 C ATOM 542 OE1 GLU A 34 61.187 5.258 4.647 1.00 0.00 O ATOM 543 OE2 GLU A 34 63.162 5.360 3.795 1.00 0.00 O ATOM 0 H GLU A 34 60.438 6.146 -0.561 1.00 0.00 H new ATOM 0 HA GLU A 34 60.470 7.936 1.791 1.00 0.00 H new ATOM 0 HB2 GLU A 34 62.582 6.040 0.645 1.00 0.00 H new ATOM 0 HB3 GLU A 34 62.781 7.007 2.093 1.00 0.00 H new ATOM 0 HG2 GLU A 34 60.273 5.626 2.368 1.00 0.00 H new ATOM 0 HG3 GLU A 34 61.435 4.443 1.802 1.00 0.00 H new ATOM 550 N GLY A 35 61.597 8.580 -1.136 1.00 0.00 N ATOM 551 CA GLY A 35 62.236 9.602 -1.960 1.00 0.00 C ATOM 552 C GLY A 35 63.720 9.304 -2.145 1.00 0.00 C ATOM 553 O GLY A 35 64.485 10.162 -2.588 1.00 0.00 O ATOM 0 H GLY A 35 61.074 7.876 -1.657 1.00 0.00 H new ATOM 0 HA2 GLY A 35 61.747 9.649 -2.933 1.00 0.00 H new ATOM 0 HA3 GLY A 35 62.113 10.580 -1.494 1.00 0.00 H new ATOM 557 N ILE A 36 64.123 8.085 -1.800 1.00 0.00 N ATOM 558 CA ILE A 36 65.521 7.687 -1.932 1.00 0.00 C ATOM 559 C ILE A 36 65.770 7.064 -3.314 1.00 0.00 C ATOM 560 O ILE A 36 64.997 6.211 -3.748 1.00 0.00 O ATOM 561 CB ILE A 36 65.868 6.667 -0.842 1.00 0.00 C ATOM 562 CG1 ILE A 36 65.459 7.223 0.524 1.00 0.00 C ATOM 563 CG2 ILE A 36 67.374 6.395 -0.846 1.00 0.00 C ATOM 564 CD1 ILE A 36 65.717 6.170 1.603 1.00 0.00 C ATOM 0 H ILE A 36 63.507 7.361 -1.430 1.00 0.00 H new ATOM 0 HA ILE A 36 66.151 8.570 -1.824 1.00 0.00 H new ATOM 0 HB ILE A 36 65.333 5.738 -1.037 1.00 0.00 H new ATOM 0 HG12 ILE A 36 66.024 8.129 0.743 1.00 0.00 H new ATOM 0 HG13 ILE A 36 64.404 7.499 0.515 1.00 0.00 H new ATOM 0 HG21 ILE A 36 67.615 5.669 -0.069 1.00 0.00 H new ATOM 0 HG22 ILE A 36 67.670 5.998 -1.817 1.00 0.00 H new ATOM 0 HG23 ILE A 36 67.912 7.323 -0.654 1.00 0.00 H new ATOM 0 HD11 ILE A 36 65.426 6.567 2.576 1.00 0.00 H new ATOM 0 HD12 ILE A 36 65.133 5.276 1.386 1.00 0.00 H new ATOM 0 HD13 ILE A 36 66.777 5.916 1.618 1.00 0.00 H new ATOM 576 N PRO A 37 66.815 7.452 -4.018 1.00 0.00 N ATOM 577 CA PRO A 37 67.110 6.880 -5.366 1.00 0.00 C ATOM 578 C PRO A 37 67.612 5.438 -5.276 1.00 0.00 C ATOM 579 O PRO A 37 68.058 4.995 -4.218 1.00 0.00 O ATOM 580 CB PRO A 37 68.193 7.803 -5.931 1.00 0.00 C ATOM 581 CG PRO A 37 68.863 8.408 -4.745 1.00 0.00 C ATOM 582 CD PRO A 37 67.822 8.460 -3.627 1.00 0.00 C ATOM 0 HA PRO A 37 66.221 6.834 -5.994 1.00 0.00 H new ATOM 0 HB2 PRO A 37 68.904 7.246 -6.541 1.00 0.00 H new ATOM 0 HB3 PRO A 37 67.759 8.572 -6.570 1.00 0.00 H new ATOM 0 HG2 PRO A 37 69.725 7.813 -4.443 1.00 0.00 H new ATOM 0 HG3 PRO A 37 69.231 9.407 -4.977 1.00 0.00 H new ATOM 0 HD2 PRO A 37 68.265 8.225 -2.659 1.00 0.00 H new ATOM 0 HD3 PRO A 37 67.379 9.452 -3.542 1.00 0.00 H new ATOM 590 N PRO A 38 67.547 4.704 -6.358 1.00 0.00 N ATOM 591 CA PRO A 38 68.005 3.283 -6.393 1.00 0.00 C ATOM 592 C PRO A 38 69.518 3.159 -6.231 1.00 0.00 C ATOM 593 O PRO A 38 70.026 2.109 -5.835 1.00 0.00 O ATOM 594 CB PRO A 38 67.563 2.784 -7.771 1.00 0.00 C ATOM 595 CG PRO A 38 67.405 4.007 -8.612 1.00 0.00 C ATOM 596 CD PRO A 38 67.031 5.145 -7.664 1.00 0.00 C ATOM 0 HA PRO A 38 67.584 2.703 -5.572 1.00 0.00 H new ATOM 0 HB2 PRO A 38 68.303 2.108 -8.199 1.00 0.00 H new ATOM 0 HB3 PRO A 38 66.626 2.231 -7.705 1.00 0.00 H new ATOM 0 HG2 PRO A 38 68.329 4.234 -9.143 1.00 0.00 H new ATOM 0 HG3 PRO A 38 66.632 3.861 -9.366 1.00 0.00 H new ATOM 0 HD2 PRO A 38 67.482 6.087 -7.974 1.00 0.00 H new ATOM 0 HD3 PRO A 38 65.953 5.302 -7.635 1.00 0.00 H new ATOM 604 N ASP A 39 70.233 4.234 -6.545 1.00 0.00 N ATOM 605 CA ASP A 39 71.688 4.233 -6.435 1.00 0.00 C ATOM 606 C ASP A 39 72.124 4.283 -4.973 1.00 0.00 C ATOM 607 O ASP A 39 73.188 3.774 -4.618 1.00 0.00 O ATOM 608 CB ASP A 39 72.268 5.434 -7.182 1.00 0.00 C ATOM 609 CG ASP A 39 71.488 5.674 -8.471 1.00 0.00 C ATOM 610 OD1 ASP A 39 71.450 6.809 -8.915 1.00 0.00 O ATOM 611 OD2 ASP A 39 70.942 4.717 -8.996 1.00 0.00 O ATOM 0 H ASP A 39 69.833 5.112 -6.876 1.00 0.00 H new ATOM 0 HA ASP A 39 72.062 3.310 -6.879 1.00 0.00 H new ATOM 0 HB2 ASP A 39 72.224 6.321 -6.550 1.00 0.00 H new ATOM 0 HB3 ASP A 39 73.319 5.257 -7.411 1.00 0.00 H new ATOM 616 N GLN A 40 71.300 4.902 -4.131 1.00 0.00 N ATOM 617 CA GLN A 40 71.617 5.015 -2.709 1.00 0.00 C ATOM 618 C GLN A 40 70.762 4.057 -1.886 1.00 0.00 C ATOM 619 O GLN A 40 70.622 4.225 -0.674 1.00 0.00 O ATOM 620 CB GLN A 40 71.376 6.449 -2.233 1.00 0.00 C ATOM 621 CG GLN A 40 72.347 7.395 -2.941 1.00 0.00 C ATOM 622 CD GLN A 40 72.121 8.825 -2.462 1.00 0.00 C ATOM 623 OE1 GLN A 40 72.853 9.735 -2.852 1.00 0.00 O ATOM 624 NE2 GLN A 40 71.146 9.076 -1.632 1.00 0.00 N ATOM 0 H GLN A 40 70.415 5.330 -4.405 1.00 0.00 H new ATOM 0 HA GLN A 40 72.667 4.755 -2.572 1.00 0.00 H new ATOM 0 HB2 GLN A 40 70.348 6.744 -2.442 1.00 0.00 H new ATOM 0 HB3 GLN A 40 71.513 6.512 -1.153 1.00 0.00 H new ATOM 0 HG2 GLN A 40 73.375 7.093 -2.739 1.00 0.00 H new ATOM 0 HG3 GLN A 40 72.203 7.337 -4.020 1.00 0.00 H new ATOM 0 HE21 GLN A 40 70.542 8.319 -1.311 1.00 0.00 H new ATOM 0 HE22 GLN A 40 70.988 10.029 -1.304 1.00 0.00 H new ATOM 633 N GLN A 41 70.192 3.056 -2.552 1.00 0.00 N ATOM 634 CA GLN A 41 69.350 2.076 -1.876 1.00 0.00 C ATOM 635 C GLN A 41 69.819 0.661 -2.204 1.00 0.00 C ATOM 636 O GLN A 41 69.970 0.302 -3.373 1.00 0.00 O ATOM 637 CB GLN A 41 67.892 2.270 -2.310 1.00 0.00 C ATOM 638 CG GLN A 41 67.141 0.936 -2.261 1.00 0.00 C ATOM 639 CD GLN A 41 65.638 1.189 -2.298 1.00 0.00 C ATOM 640 OE1 GLN A 41 65.164 1.999 -3.096 1.00 0.00 O ATOM 641 NE2 GLN A 41 64.855 0.543 -1.479 1.00 0.00 N ATOM 0 H GLN A 41 70.298 2.903 -3.555 1.00 0.00 H new ATOM 0 HA GLN A 41 69.424 2.220 -0.798 1.00 0.00 H new ATOM 0 HB2 GLN A 41 67.404 2.994 -1.657 1.00 0.00 H new ATOM 0 HB3 GLN A 41 67.857 2.678 -3.320 1.00 0.00 H new ATOM 0 HG2 GLN A 41 67.435 0.311 -3.104 1.00 0.00 H new ATOM 0 HG3 GLN A 41 67.405 0.392 -1.354 1.00 0.00 H new ATOM 0 HE21 GLN A 41 65.249 -0.127 -0.819 1.00 0.00 H new ATOM 0 HE22 GLN A 41 63.849 0.708 -1.499 1.00 0.00 H new ATOM 650 N ARG A 42 70.044 -0.136 -1.164 1.00 0.00 N ATOM 651 CA ARG A 42 70.494 -1.511 -1.346 1.00 0.00 C ATOM 652 C ARG A 42 69.688 -2.456 -0.463 1.00 0.00 C ATOM 653 O ARG A 42 69.718 -2.353 0.763 1.00 0.00 O ATOM 654 CB ARG A 42 71.978 -1.626 -0.996 1.00 0.00 C ATOM 655 CG ARG A 42 72.753 -2.117 -2.219 1.00 0.00 C ATOM 656 CD ARG A 42 74.247 -2.146 -1.896 1.00 0.00 C ATOM 657 NE ARG A 42 75.003 -2.641 -3.040 1.00 0.00 N ATOM 658 CZ ARG A 42 76.327 -2.539 -3.083 1.00 0.00 C ATOM 659 NH1 ARG A 42 76.982 -2.989 -4.117 1.00 0.00 N ATOM 660 NH2 ARG A 42 76.973 -1.988 -2.091 1.00 0.00 N ATOM 0 H ARG A 42 69.923 0.145 -0.191 1.00 0.00 H new ATOM 0 HA ARG A 42 70.345 -1.788 -2.390 1.00 0.00 H new ATOM 0 HB2 ARG A 42 72.362 -0.659 -0.673 1.00 0.00 H new ATOM 0 HB3 ARG A 42 72.114 -2.317 -0.164 1.00 0.00 H new ATOM 0 HG2 ARG A 42 72.412 -3.112 -2.504 1.00 0.00 H new ATOM 0 HG3 ARG A 42 72.566 -1.461 -3.069 1.00 0.00 H new ATOM 0 HD2 ARG A 42 74.588 -1.145 -1.632 1.00 0.00 H new ATOM 0 HD3 ARG A 42 74.426 -2.783 -1.030 1.00 0.00 H new ATOM 0 HE ARG A 42 74.507 -3.073 -3.820 1.00 0.00 H new ATOM 0 HH11 ARG A 42 76.478 -3.419 -4.892 1.00 0.00 H new ATOM 0 HH12 ARG A 42 77.998 -2.911 -4.150 1.00 0.00 H new ATOM 0 HH21 ARG A 42 76.461 -1.635 -1.282 1.00 0.00 H new ATOM 0 HH22 ARG A 42 77.989 -1.910 -2.125 1.00 0.00 H new ATOM 674 N LEU A 43 68.964 -3.376 -1.093 1.00 0.00 N ATOM 675 CA LEU A 43 68.151 -4.333 -0.351 1.00 0.00 C ATOM 676 C LEU A 43 68.933 -5.618 -0.096 1.00 0.00 C ATOM 677 O LEU A 43 69.314 -6.318 -1.033 1.00 0.00 O ATOM 678 CB LEU A 43 66.876 -4.653 -1.135 1.00 0.00 C ATOM 679 CG LEU A 43 65.733 -3.753 -0.656 1.00 0.00 C ATOM 680 CD1 LEU A 43 64.549 -3.880 -1.617 1.00 0.00 C ATOM 681 CD2 LEU A 43 65.288 -4.169 0.752 1.00 0.00 C ATOM 0 H LEU A 43 68.923 -3.479 -2.107 1.00 0.00 H new ATOM 0 HA LEU A 43 67.885 -3.889 0.608 1.00 0.00 H new ATOM 0 HB2 LEU A 43 67.047 -4.503 -2.201 1.00 0.00 H new ATOM 0 HB3 LEU A 43 66.608 -5.701 -0.999 1.00 0.00 H new ATOM 0 HG LEU A 43 66.081 -2.720 -0.631 1.00 0.00 H new ATOM 0 HD11 LEU A 43 63.735 -3.240 -1.277 1.00 0.00 H new ATOM 0 HD12 LEU A 43 64.858 -3.575 -2.617 1.00 0.00 H new ATOM 0 HD13 LEU A 43 64.210 -4.916 -1.642 1.00 0.00 H new ATOM 0 HD21 LEU A 43 64.475 -3.522 1.083 1.00 0.00 H new ATOM 0 HD22 LEU A 43 64.945 -5.203 0.734 1.00 0.00 H new ATOM 0 HD23 LEU A 43 66.128 -4.077 1.441 1.00 0.00 H new ATOM 693 N ILE A 44 69.165 -5.917 1.180 1.00 0.00 N ATOM 694 CA ILE A 44 69.902 -7.119 1.560 1.00 0.00 C ATOM 695 C ILE A 44 68.992 -8.080 2.319 1.00 0.00 C ATOM 696 O ILE A 44 68.137 -7.658 3.097 1.00 0.00 O ATOM 697 CB ILE A 44 71.101 -6.741 2.437 1.00 0.00 C ATOM 698 CG1 ILE A 44 72.283 -6.335 1.551 1.00 0.00 C ATOM 699 CG2 ILE A 44 71.508 -7.938 3.301 1.00 0.00 C ATOM 700 CD1 ILE A 44 71.904 -5.119 0.702 1.00 0.00 C ATOM 0 H ILE A 44 68.854 -5.346 1.966 1.00 0.00 H new ATOM 0 HA ILE A 44 70.259 -7.611 0.655 1.00 0.00 H new ATOM 0 HB ILE A 44 70.822 -5.905 3.079 1.00 0.00 H new ATOM 0 HG12 ILE A 44 73.149 -6.102 2.170 1.00 0.00 H new ATOM 0 HG13 ILE A 44 72.567 -7.166 0.905 1.00 0.00 H new ATOM 0 HG21 ILE A 44 72.361 -7.665 3.923 1.00 0.00 H new ATOM 0 HG22 ILE A 44 70.672 -8.228 3.938 1.00 0.00 H new ATOM 0 HG23 ILE A 44 71.781 -8.775 2.658 1.00 0.00 H new ATOM 0 HD11 ILE A 44 72.749 -4.836 0.074 1.00 0.00 H new ATOM 0 HD12 ILE A 44 71.051 -5.368 0.071 1.00 0.00 H new ATOM 0 HD13 ILE A 44 71.642 -4.287 1.355 1.00 0.00 H new ATOM 712 N PHE A 45 69.185 -9.376 2.089 1.00 0.00 N ATOM 713 CA PHE A 45 68.377 -10.389 2.759 1.00 0.00 C ATOM 714 C PHE A 45 69.130 -11.718 2.822 1.00 0.00 C ATOM 715 O PHE A 45 68.535 -12.789 2.710 1.00 0.00 O ATOM 716 CB PHE A 45 67.052 -10.578 2.015 1.00 0.00 C ATOM 717 CG PHE A 45 66.217 -11.616 2.726 1.00 0.00 C ATOM 718 CD1 PHE A 45 65.979 -12.857 2.120 1.00 0.00 C ATOM 719 CD2 PHE A 45 65.687 -11.343 3.993 1.00 0.00 C ATOM 720 CE1 PHE A 45 65.212 -13.824 2.783 1.00 0.00 C ATOM 721 CE2 PHE A 45 64.921 -12.309 4.654 1.00 0.00 C ATOM 722 CZ PHE A 45 64.683 -13.548 4.050 1.00 0.00 C ATOM 0 H PHE A 45 69.888 -9.747 1.449 1.00 0.00 H new ATOM 0 HA PHE A 45 68.173 -10.053 3.776 1.00 0.00 H new ATOM 0 HB2 PHE A 45 66.512 -9.632 1.967 1.00 0.00 H new ATOM 0 HB3 PHE A 45 67.241 -10.890 0.988 1.00 0.00 H new ATOM 0 HD1 PHE A 45 66.387 -13.068 1.142 1.00 0.00 H new ATOM 0 HD2 PHE A 45 65.870 -10.386 4.460 1.00 0.00 H new ATOM 0 HE1 PHE A 45 65.029 -14.781 2.318 1.00 0.00 H new ATOM 0 HE2 PHE A 45 64.513 -12.098 5.631 1.00 0.00 H new ATOM 0 HZ PHE A 45 64.091 -14.292 4.561 1.00 0.00 H new ATOM 879 N LEU A 56 68.437 -10.754 -5.606 1.00 0.00 N ATOM 880 CA LEU A 56 67.751 -10.994 -4.340 1.00 0.00 C ATOM 881 C LEU A 56 66.543 -11.901 -4.554 1.00 0.00 C ATOM 882 O LEU A 56 66.216 -12.726 -3.701 1.00 0.00 O ATOM 883 CB LEU A 56 67.292 -9.667 -3.728 1.00 0.00 C ATOM 884 CG LEU A 56 68.495 -8.743 -3.511 1.00 0.00 C ATOM 885 CD1 LEU A 56 68.032 -7.286 -3.558 1.00 0.00 C ATOM 886 CD2 LEU A 56 69.124 -9.030 -2.145 1.00 0.00 C ATOM 0 HA LEU A 56 68.447 -11.483 -3.659 1.00 0.00 H new ATOM 0 HB2 LEU A 56 66.568 -9.186 -4.385 1.00 0.00 H new ATOM 0 HB3 LEU A 56 66.788 -9.850 -2.779 1.00 0.00 H new ATOM 0 HG LEU A 56 69.232 -8.919 -4.295 1.00 0.00 H new ATOM 0 HD11 LEU A 56 68.887 -6.627 -3.404 1.00 0.00 H new ATOM 0 HD12 LEU A 56 67.584 -7.078 -4.530 1.00 0.00 H new ATOM 0 HD13 LEU A 56 67.295 -7.113 -2.774 1.00 0.00 H new ATOM 0 HD21 LEU A 56 69.979 -8.372 -1.993 1.00 0.00 H new ATOM 0 HD22 LEU A 56 68.387 -8.855 -1.361 1.00 0.00 H new ATOM 0 HD23 LEU A 56 69.454 -10.068 -2.107 1.00 0.00 H new ATOM 898 N SER A 57 65.886 -11.744 -5.699 1.00 0.00 N ATOM 899 CA SER A 57 64.716 -12.554 -6.014 1.00 0.00 C ATOM 900 C SER A 57 65.101 -14.026 -6.131 1.00 0.00 C ATOM 901 O SER A 57 64.297 -14.912 -5.841 1.00 0.00 O ATOM 902 CB SER A 57 64.092 -12.082 -7.328 1.00 0.00 C ATOM 903 OG SER A 57 64.656 -12.820 -8.405 1.00 0.00 O ATOM 0 H SER A 57 66.142 -11.068 -6.419 1.00 0.00 H new ATOM 0 HA SER A 57 63.991 -12.442 -5.208 1.00 0.00 H new ATOM 0 HB2 SER A 57 63.011 -12.222 -7.302 1.00 0.00 H new ATOM 0 HB3 SER A 57 64.272 -11.016 -7.468 1.00 0.00 H new ATOM 0 HG SER A 57 64.258 -12.522 -9.250 1.00 0.00 H new ATOM 909 N ASP A 58 66.335 -14.278 -6.554 1.00 0.00 N ATOM 910 CA ASP A 58 66.816 -15.646 -6.704 1.00 0.00 C ATOM 911 C ASP A 58 66.783 -16.375 -5.364 1.00 0.00 C ATOM 912 O ASP A 58 66.920 -17.596 -5.307 1.00 0.00 O ATOM 913 CB ASP A 58 68.245 -15.640 -7.248 1.00 0.00 C ATOM 914 CG ASP A 58 68.500 -16.908 -8.057 1.00 0.00 C ATOM 915 OD1 ASP A 58 68.831 -17.915 -7.455 1.00 0.00 O ATOM 916 OD2 ASP A 58 68.362 -16.851 -9.268 1.00 0.00 O ATOM 0 H ASP A 58 67.016 -13.559 -6.797 1.00 0.00 H new ATOM 0 HA ASP A 58 66.163 -16.166 -7.405 1.00 0.00 H new ATOM 0 HB2 ASP A 58 68.401 -14.762 -7.874 1.00 0.00 H new ATOM 0 HB3 ASP A 58 68.956 -15.575 -6.425 1.00 0.00 H new ATOM 921 N TYR A 59 66.599 -15.616 -4.289 1.00 0.00 N ATOM 922 CA TYR A 59 66.548 -16.198 -2.953 1.00 0.00 C ATOM 923 C TYR A 59 65.124 -16.620 -2.609 1.00 0.00 C ATOM 924 O TYR A 59 64.865 -17.144 -1.525 1.00 0.00 O ATOM 925 CB TYR A 59 67.046 -15.184 -1.922 1.00 0.00 C ATOM 926 CG TYR A 59 67.926 -15.881 -0.912 1.00 0.00 C ATOM 927 CD1 TYR A 59 67.511 -15.997 0.419 1.00 0.00 C ATOM 928 CD2 TYR A 59 69.159 -16.410 -1.310 1.00 0.00 C ATOM 929 CE1 TYR A 59 68.330 -16.644 1.353 1.00 0.00 C ATOM 930 CE2 TYR A 59 69.977 -17.057 -0.376 1.00 0.00 C ATOM 931 CZ TYR A 59 69.562 -17.174 0.956 1.00 0.00 C ATOM 932 OH TYR A 59 70.369 -17.812 1.877 1.00 0.00 O ATOM 0 H TYR A 59 66.483 -14.603 -4.316 1.00 0.00 H new ATOM 0 HA TYR A 59 67.191 -17.078 -2.935 1.00 0.00 H new ATOM 0 HB2 TYR A 59 67.603 -14.389 -2.418 1.00 0.00 H new ATOM 0 HB3 TYR A 59 66.200 -14.715 -1.420 1.00 0.00 H new ATOM 0 HD1 TYR A 59 66.560 -15.588 0.726 1.00 0.00 H new ATOM 0 HD2 TYR A 59 69.479 -16.319 -2.337 1.00 0.00 H new ATOM 0 HE1 TYR A 59 68.010 -16.734 2.381 1.00 0.00 H new ATOM 0 HE2 TYR A 59 70.928 -17.466 -0.683 1.00 0.00 H new ATOM 0 HH TYR A 59 71.187 -18.122 1.436 1.00 0.00 H new ATOM 942 N ASN A 60 64.203 -16.389 -3.540 1.00 0.00 N ATOM 943 CA ASN A 60 62.806 -16.750 -3.326 1.00 0.00 C ATOM 944 C ASN A 60 62.295 -16.160 -2.016 1.00 0.00 C ATOM 945 O ASN A 60 61.713 -16.865 -1.191 1.00 0.00 O ATOM 946 CB ASN A 60 62.659 -18.272 -3.294 1.00 0.00 C ATOM 947 CG ASN A 60 63.277 -18.883 -4.547 1.00 0.00 C ATOM 948 OD1 ASN A 60 62.661 -18.872 -5.612 1.00 0.00 O ATOM 949 ND2 ASN A 60 64.464 -19.419 -4.482 1.00 0.00 N ATOM 0 H ASN A 60 64.397 -15.957 -4.443 1.00 0.00 H new ATOM 0 HA ASN A 60 62.216 -16.346 -4.148 1.00 0.00 H new ATOM 0 HB2 ASN A 60 63.146 -18.674 -2.406 1.00 0.00 H new ATOM 0 HB3 ASN A 60 61.605 -18.542 -3.230 1.00 0.00 H new ATOM 0 HD21 ASN A 60 64.884 -19.831 -5.315 1.00 0.00 H new ATOM 0 HD22 ASN A 60 64.972 -19.427 -3.598 1.00 0.00 H new ATOM 956 N ILE A 61 62.512 -14.862 -1.832 1.00 0.00 N ATOM 957 CA ILE A 61 62.066 -14.188 -0.616 1.00 0.00 C ATOM 958 C ILE A 61 60.669 -14.657 -0.226 1.00 0.00 C ATOM 959 O ILE A 61 59.795 -14.812 -1.079 1.00 0.00 O ATOM 960 CB ILE A 61 62.059 -12.674 -0.832 1.00 0.00 C ATOM 961 CG1 ILE A 61 63.475 -12.129 -0.639 1.00 0.00 C ATOM 962 CG2 ILE A 61 61.118 -12.015 0.180 1.00 0.00 C ATOM 963 CD1 ILE A 61 63.573 -10.736 -1.260 1.00 0.00 C ATOM 0 H ILE A 61 62.990 -14.259 -2.502 1.00 0.00 H new ATOM 0 HA ILE A 61 62.757 -14.436 0.190 1.00 0.00 H new ATOM 0 HB ILE A 61 61.715 -12.453 -1.842 1.00 0.00 H new ATOM 0 HG12 ILE A 61 63.717 -12.083 0.423 1.00 0.00 H new ATOM 0 HG13 ILE A 61 64.200 -12.798 -1.103 1.00 0.00 H new ATOM 0 HG21 ILE A 61 61.114 -10.936 0.025 1.00 0.00 H new ATOM 0 HG22 ILE A 61 60.109 -12.404 0.046 1.00 0.00 H new ATOM 0 HG23 ILE A 61 61.460 -12.235 1.191 1.00 0.00 H new ATOM 0 HD11 ILE A 61 64.582 -10.347 -1.123 1.00 0.00 H new ATOM 0 HD12 ILE A 61 63.349 -10.796 -2.325 1.00 0.00 H new ATOM 0 HD13 ILE A 61 62.858 -10.071 -0.776 1.00 0.00 H new ATOM 975 N GLN A 62 60.466 -14.884 1.068 1.00 0.00 N ATOM 976 CA GLN A 62 59.169 -15.337 1.560 1.00 0.00 C ATOM 977 C GLN A 62 58.354 -14.159 2.085 1.00 0.00 C ATOM 978 O GLN A 62 58.846 -13.032 2.151 1.00 0.00 O ATOM 979 CB GLN A 62 59.364 -16.363 2.676 1.00 0.00 C ATOM 980 CG GLN A 62 60.305 -17.470 2.195 1.00 0.00 C ATOM 981 CD GLN A 62 59.724 -18.836 2.545 1.00 0.00 C ATOM 982 OE1 GLN A 62 59.944 -19.341 3.646 1.00 0.00 O ATOM 983 NE2 GLN A 62 58.992 -19.469 1.669 1.00 0.00 N ATOM 0 H GLN A 62 61.176 -14.763 1.790 1.00 0.00 H new ATOM 0 HA GLN A 62 58.628 -15.798 0.733 1.00 0.00 H new ATOM 0 HB2 GLN A 62 59.777 -15.879 3.561 1.00 0.00 H new ATOM 0 HB3 GLN A 62 58.403 -16.788 2.965 1.00 0.00 H new ATOM 0 HG2 GLN A 62 60.450 -17.393 1.118 1.00 0.00 H new ATOM 0 HG3 GLN A 62 61.285 -17.353 2.658 1.00 0.00 H new ATOM 0 HE21 GLN A 62 58.811 -19.049 0.757 1.00 0.00 H new ATOM 0 HE22 GLN A 62 58.601 -20.383 1.896 1.00 0.00 H new ATOM 992 N LYS A 63 57.108 -14.428 2.458 1.00 0.00 N ATOM 993 CA LYS A 63 56.233 -13.382 2.975 1.00 0.00 C ATOM 994 C LYS A 63 56.600 -13.040 4.416 1.00 0.00 C ATOM 995 O LYS A 63 57.326 -13.786 5.074 1.00 0.00 O ATOM 996 CB LYS A 63 54.775 -13.844 2.914 1.00 0.00 C ATOM 997 CG LYS A 63 54.580 -15.046 3.840 1.00 0.00 C ATOM 998 CD LYS A 63 53.669 -16.070 3.161 1.00 0.00 C ATOM 999 CE LYS A 63 53.162 -17.071 4.202 1.00 0.00 C ATOM 1000 NZ LYS A 63 52.351 -18.123 3.525 1.00 0.00 N ATOM 0 H LYS A 63 56.683 -15.354 2.413 1.00 0.00 H new ATOM 0 HA LYS A 63 56.358 -12.492 2.359 1.00 0.00 H new ATOM 0 HB2 LYS A 63 54.112 -13.031 3.212 1.00 0.00 H new ATOM 0 HB3 LYS A 63 54.510 -14.113 1.891 1.00 0.00 H new ATOM 0 HG2 LYS A 63 55.544 -15.499 4.073 1.00 0.00 H new ATOM 0 HG3 LYS A 63 54.142 -14.724 4.785 1.00 0.00 H new ATOM 0 HD2 LYS A 63 52.828 -15.566 2.686 1.00 0.00 H new ATOM 0 HD3 LYS A 63 54.214 -16.592 2.374 1.00 0.00 H new ATOM 0 HE2 LYS A 63 54.003 -17.526 4.725 1.00 0.00 H new ATOM 0 HE3 LYS A 63 52.560 -16.558 4.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 52.006 -18.804 4.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 51.541 -17.682 3.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 52.940 -18.619 2.825 1.00 0.00 H new ATOM 1014 N GLU A 64 56.096 -11.909 4.897 1.00 0.00 N ATOM 1015 CA GLU A 64 56.377 -11.479 6.262 1.00 0.00 C ATOM 1016 C GLU A 64 57.867 -11.608 6.567 1.00 0.00 C ATOM 1017 O GLU A 64 58.253 -12.019 7.662 1.00 0.00 O ATOM 1018 CB GLU A 64 55.577 -12.326 7.253 1.00 0.00 C ATOM 1019 CG GLU A 64 54.095 -12.290 6.876 1.00 0.00 C ATOM 1020 CD GLU A 64 53.301 -13.211 7.797 1.00 0.00 C ATOM 1021 OE1 GLU A 64 53.792 -14.289 8.092 1.00 0.00 O ATOM 1022 OE2 GLU A 64 52.215 -12.824 8.195 1.00 0.00 O ATOM 0 H GLU A 64 55.495 -11.278 4.367 1.00 0.00 H new ATOM 0 HA GLU A 64 56.085 -10.433 6.361 1.00 0.00 H new ATOM 0 HB2 GLU A 64 55.940 -13.354 7.245 1.00 0.00 H new ATOM 0 HB3 GLU A 64 55.715 -11.947 8.266 1.00 0.00 H new ATOM 0 HG2 GLU A 64 53.716 -11.271 6.953 1.00 0.00 H new ATOM 0 HG3 GLU A 64 53.967 -12.601 5.839 1.00 0.00 H new ATOM 1029 N SER A 65 58.698 -11.257 5.591 1.00 0.00 N ATOM 1030 CA SER A 65 60.145 -11.336 5.766 1.00 0.00 C ATOM 1031 C SER A 65 60.729 -9.955 6.042 1.00 0.00 C ATOM 1032 O SER A 65 60.293 -8.959 5.464 1.00 0.00 O ATOM 1033 CB SER A 65 60.790 -11.923 4.511 1.00 0.00 C ATOM 1034 OG SER A 65 60.995 -13.318 4.698 1.00 0.00 O ATOM 0 H SER A 65 58.398 -10.917 4.677 1.00 0.00 H new ATOM 0 HA SER A 65 60.354 -11.982 6.619 1.00 0.00 H new ATOM 0 HB2 SER A 65 60.151 -11.750 3.645 1.00 0.00 H new ATOM 0 HB3 SER A 65 61.740 -11.428 4.310 1.00 0.00 H new ATOM 0 HG SER A 65 61.407 -13.699 3.894 1.00 0.00 H new ATOM 1040 N THR A 66 61.719 -9.903 6.927 1.00 0.00 N ATOM 1041 CA THR A 66 62.356 -8.638 7.272 1.00 0.00 C ATOM 1042 C THR A 66 63.494 -8.331 6.303 1.00 0.00 C ATOM 1043 O THR A 66 64.483 -9.061 6.239 1.00 0.00 O ATOM 1044 CB THR A 66 62.904 -8.701 8.700 1.00 0.00 C ATOM 1045 OG1 THR A 66 62.080 -9.551 9.484 1.00 0.00 O ATOM 1046 CG2 THR A 66 62.915 -7.297 9.307 1.00 0.00 C ATOM 0 H THR A 66 62.095 -10.716 7.415 1.00 0.00 H new ATOM 0 HA THR A 66 61.610 -7.846 7.204 1.00 0.00 H new ATOM 0 HB THR A 66 63.920 -9.094 8.682 1.00 0.00 H new ATOM 0 HG1 THR A 66 62.430 -9.594 10.398 1.00 0.00 H new ATOM 0 HG21 THR A 66 63.305 -7.343 10.324 1.00 0.00 H new ATOM 0 HG22 THR A 66 63.548 -6.645 8.705 1.00 0.00 H new ATOM 0 HG23 THR A 66 61.900 -6.901 9.326 1.00 0.00 H new ATOM 1054 N LEU A 67 63.344 -7.247 5.550 1.00 0.00 N ATOM 1055 CA LEU A 67 64.362 -6.849 4.586 1.00 0.00 C ATOM 1056 C LEU A 67 65.268 -5.775 5.179 1.00 0.00 C ATOM 1057 O LEU A 67 64.805 -4.884 5.890 1.00 0.00 O ATOM 1058 CB LEU A 67 63.694 -6.313 3.317 1.00 0.00 C ATOM 1059 CG LEU A 67 63.637 -7.420 2.263 1.00 0.00 C ATOM 1060 CD1 LEU A 67 62.885 -8.626 2.828 1.00 0.00 C ATOM 1061 CD2 LEU A 67 62.913 -6.905 1.017 1.00 0.00 C ATOM 0 H LEU A 67 62.532 -6.631 5.588 1.00 0.00 H new ATOM 0 HA LEU A 67 64.966 -7.722 4.339 1.00 0.00 H new ATOM 0 HB2 LEU A 67 62.688 -5.961 3.544 1.00 0.00 H new ATOM 0 HB3 LEU A 67 64.252 -5.459 2.933 1.00 0.00 H new ATOM 0 HG LEU A 67 64.651 -7.717 1.996 1.00 0.00 H new ATOM 0 HD11 LEU A 67 62.845 -9.414 2.076 1.00 0.00 H new ATOM 0 HD12 LEU A 67 63.402 -8.995 3.714 1.00 0.00 H new ATOM 0 HD13 LEU A 67 61.871 -8.329 3.097 1.00 0.00 H new ATOM 0 HD21 LEU A 67 62.873 -7.695 0.267 1.00 0.00 H new ATOM 0 HD22 LEU A 67 61.899 -6.606 1.283 1.00 0.00 H new ATOM 0 HD23 LEU A 67 63.450 -6.047 0.612 1.00 0.00 H new ATOM 1073 N HIS A 68 66.560 -5.865 4.881 1.00 0.00 N ATOM 1074 CA HIS A 68 67.520 -4.895 5.391 1.00 0.00 C ATOM 1075 C HIS A 68 67.821 -3.836 4.336 1.00 0.00 C ATOM 1076 O HIS A 68 68.441 -4.125 3.312 1.00 0.00 O ATOM 1077 CB HIS A 68 68.816 -5.602 5.794 1.00 0.00 C ATOM 1078 CG HIS A 68 68.532 -6.581 6.899 1.00 0.00 C ATOM 1079 ND1 HIS A 68 67.649 -7.637 6.743 1.00 0.00 N ATOM 1080 CD2 HIS A 68 69.009 -6.678 8.183 1.00 0.00 C ATOM 1081 CE1 HIS A 68 67.623 -8.318 7.903 1.00 0.00 C ATOM 1082 NE2 HIS A 68 68.433 -7.775 8.815 1.00 0.00 N ATOM 0 H HIS A 68 66.964 -6.594 4.293 1.00 0.00 H new ATOM 0 HA HIS A 68 67.087 -4.409 6.265 1.00 0.00 H new ATOM 0 HB2 HIS A 68 69.242 -6.121 4.935 1.00 0.00 H new ATOM 0 HB3 HIS A 68 69.554 -4.871 6.123 1.00 0.00 H new ATOM 0 HD2 HIS A 68 69.723 -6.005 8.634 1.00 0.00 H new ATOM 0 HE1 HIS A 68 67.020 -9.197 8.076 1.00 0.00 H new ATOM 0 HE2 HIS A 68 68.595 -8.096 9.770 1.00 0.00 H new ATOM 1090 N LEU A 69 67.376 -2.610 4.590 1.00 0.00 N ATOM 1091 CA LEU A 69 67.601 -1.516 3.653 1.00 0.00 C ATOM 1092 C LEU A 69 68.899 -0.786 3.987 1.00 0.00 C ATOM 1093 O LEU A 69 69.022 -0.174 5.048 1.00 0.00 O ATOM 1094 CB LEU A 69 66.429 -0.532 3.710 1.00 0.00 C ATOM 1095 CG LEU A 69 66.567 0.506 2.594 1.00 0.00 C ATOM 1096 CD1 LEU A 69 65.446 0.309 1.572 1.00 0.00 C ATOM 1097 CD2 LEU A 69 66.467 1.910 3.194 1.00 0.00 C ATOM 0 H LEU A 69 66.861 -2.350 5.431 1.00 0.00 H new ATOM 0 HA LEU A 69 67.678 -1.930 2.648 1.00 0.00 H new ATOM 0 HB2 LEU A 69 65.486 -1.069 3.605 1.00 0.00 H new ATOM 0 HB3 LEU A 69 66.406 -0.035 4.680 1.00 0.00 H new ATOM 0 HG LEU A 69 67.532 0.386 2.102 1.00 0.00 H new ATOM 0 HD11 LEU A 69 65.544 1.048 0.777 1.00 0.00 H new ATOM 0 HD12 LEU A 69 65.513 -0.692 1.147 1.00 0.00 H new ATOM 0 HD13 LEU A 69 64.480 0.430 2.063 1.00 0.00 H new ATOM 0 HD21 LEU A 69 66.565 2.652 2.402 1.00 0.00 H new ATOM 0 HD22 LEU A 69 65.501 2.028 3.684 1.00 0.00 H new ATOM 0 HD23 LEU A 69 67.264 2.051 3.924 1.00 0.00 H new ATOM 1109 N VAL A 70 69.864 -0.857 3.074 1.00 0.00 N ATOM 1110 CA VAL A 70 71.152 -0.202 3.279 1.00 0.00 C ATOM 1111 C VAL A 70 71.266 1.041 2.401 1.00 0.00 C ATOM 1112 O VAL A 70 70.743 1.075 1.288 1.00 0.00 O ATOM 1113 CB VAL A 70 72.287 -1.169 2.945 1.00 0.00 C ATOM 1114 CG1 VAL A 70 73.577 -0.693 3.614 1.00 0.00 C ATOM 1115 CG2 VAL A 70 71.934 -2.566 3.460 1.00 0.00 C ATOM 0 H VAL A 70 69.779 -1.359 2.190 1.00 0.00 H new ATOM 0 HA VAL A 70 71.225 0.097 4.325 1.00 0.00 H new ATOM 0 HB VAL A 70 72.428 -1.203 1.865 1.00 0.00 H new ATOM 0 HG11 VAL A 70 74.386 -1.383 3.376 1.00 0.00 H new ATOM 0 HG12 VAL A 70 73.830 0.303 3.250 1.00 0.00 H new ATOM 0 HG13 VAL A 70 73.436 -0.659 4.694 1.00 0.00 H new ATOM 0 HG21 VAL A 70 72.743 -3.257 3.222 1.00 0.00 H new ATOM 0 HG22 VAL A 70 71.793 -2.531 4.540 1.00 0.00 H new ATOM 0 HG23 VAL A 70 71.014 -2.907 2.985 1.00 0.00 H new ATOM 1125 N LEU A 71 71.955 2.057 2.915 1.00 0.00 N ATOM 1126 CA LEU A 71 72.138 3.303 2.175 1.00 0.00 C ATOM 1127 C LEU A 71 73.597 3.472 1.765 1.00 0.00 C ATOM 1128 O LEU A 71 74.479 3.606 2.614 1.00 0.00 O ATOM 1129 CB LEU A 71 71.708 4.491 3.039 1.00 0.00 C ATOM 1130 CG LEU A 71 70.297 4.248 3.578 1.00 0.00 C ATOM 1131 CD1 LEU A 71 69.874 5.431 4.453 1.00 0.00 C ATOM 1132 CD2 LEU A 71 69.318 4.109 2.408 1.00 0.00 C ATOM 0 H LEU A 71 72.394 2.043 3.836 1.00 0.00 H new ATOM 0 HA LEU A 71 71.522 3.265 1.277 1.00 0.00 H new ATOM 0 HB2 LEU A 71 72.406 4.624 3.865 1.00 0.00 H new ATOM 0 HB3 LEU A 71 71.731 5.409 2.451 1.00 0.00 H new ATOM 0 HG LEU A 71 70.289 3.333 4.171 1.00 0.00 H new ATOM 0 HD11 LEU A 71 68.869 5.258 4.837 1.00 0.00 H new ATOM 0 HD12 LEU A 71 70.569 5.533 5.287 1.00 0.00 H new ATOM 0 HD13 LEU A 71 69.883 6.345 3.859 1.00 0.00 H new ATOM 0 HD21 LEU A 71 68.313 3.936 2.793 1.00 0.00 H new ATOM 0 HD22 LEU A 71 69.327 5.024 1.815 1.00 0.00 H new ATOM 0 HD23 LEU A 71 69.616 3.268 1.782 1.00 0.00 H new ATOM 1144 N ARG A 72 73.843 3.468 0.458 1.00 0.00 N ATOM 1145 CA ARG A 72 75.199 3.623 -0.059 1.00 0.00 C ATOM 1146 C ARG A 72 75.393 5.020 -0.640 1.00 0.00 C ATOM 1147 O ARG A 72 74.709 5.410 -1.588 1.00 0.00 O ATOM 1148 CB ARG A 72 75.464 2.576 -1.147 1.00 0.00 C ATOM 1149 CG ARG A 72 76.388 1.481 -0.607 1.00 0.00 C ATOM 1150 CD ARG A 72 77.824 2.005 -0.551 1.00 0.00 C ATOM 1151 NE ARG A 72 78.493 1.521 0.652 1.00 0.00 N ATOM 1152 CZ ARG A 72 79.547 2.156 1.154 1.00 0.00 C ATOM 1153 NH1 ARG A 72 80.136 1.698 2.225 1.00 0.00 N ATOM 1154 NH2 ARG A 72 79.992 3.238 0.578 1.00 0.00 N ATOM 0 H ARG A 72 73.126 3.360 -0.259 1.00 0.00 H new ATOM 0 HA ARG A 72 75.901 3.482 0.763 1.00 0.00 H new ATOM 0 HB2 ARG A 72 74.523 2.138 -1.478 1.00 0.00 H new ATOM 0 HB3 ARG A 72 75.919 3.050 -2.017 1.00 0.00 H new ATOM 0 HG2 ARG A 72 76.063 1.174 0.387 1.00 0.00 H new ATOM 0 HG3 ARG A 72 76.336 0.599 -1.246 1.00 0.00 H new ATOM 0 HD2 ARG A 72 78.372 1.680 -1.436 1.00 0.00 H new ATOM 0 HD3 ARG A 72 77.821 3.095 -0.560 1.00 0.00 H new ATOM 0 HE ARG A 72 78.146 0.681 1.115 1.00 0.00 H new ATOM 0 HH11 ARG A 72 79.787 0.853 2.677 1.00 0.00 H new ATOM 0 HH12 ARG A 72 80.945 2.185 2.610 1.00 0.00 H new ATOM 0 HH21 ARG A 72 79.531 3.597 -0.258 1.00 0.00 H new ATOM 0 HH22 ARG A 72 80.801 3.725 0.964 1.00 0.00 H new