USER MOD reduce.3.24.130724 H: found=0, std=0, add=555, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 555 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 27 LYS NZ :NH3+ -141:sc= -8.64! (180deg=-9.57!) USER MOD Set 1.2: A 41 GLN : amide:sc= -7.43! C(o=-16!,f=-21!) USER MOD Single : A 2 GLN : amide:sc= -2.23! C(o=-2.2!,f=-4.6!) USER MOD Single : A 6 LYS NZ :NH3+ -167:sc=-0.00898 (180deg=-0.215) USER MOD Single : A 7 THR OG1 : rot -88:sc= 0.0264 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.139) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc=-0.00431 USER MOD Single : A 20 SER OG : rot 180:sc= 0.144 USER MOD Single : A 22 THR OG1 : rot 177:sc= -3.5! USER MOD Single : A 25 ASN : amide:sc= -0.0523 X(o=-0.052,f=-0.28) USER MOD Single : A 29 LYS NZ :NH3+ 171:sc= 0.33 (180deg=0.201) USER MOD Single : A 31 GLN :FLIP amide:sc= -2.7! C(o=-4.6!,f=-2.7!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.54 K(o=-0.54,f=-2.2!) USER MOD Single : A 48 LYS NZ :NH3+ -153:sc= -0.409 (180deg=-1.68!) USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-1.1!) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= -5.04! 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=-0.041) USER MOD Single : A 63 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.181) USER MOD Single : A 65 SER OG : rot 180:sc= -0.423 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.281 X(o=-0.28,f=-0.21) USER MOD ----------------------------------------------------------------- ATOM 20 N GLN A 2 51.214 -5.643 4.519 1.00 0.00 N ATOM 21 CA GLN A 2 52.190 -6.311 3.668 1.00 0.00 C ATOM 22 C GLN A 2 52.712 -5.364 2.606 1.00 0.00 C ATOM 23 O GLN A 2 52.114 -4.327 2.335 1.00 0.00 O ATOM 24 CB GLN A 2 51.534 -7.530 3.005 1.00 0.00 C ATOM 25 CG GLN A 2 51.775 -8.779 3.866 1.00 0.00 C ATOM 26 CD GLN A 2 53.117 -9.410 3.505 1.00 0.00 C ATOM 27 OE1 GLN A 2 53.437 -9.557 2.326 1.00 0.00 O ATOM 28 NE2 GLN A 2 53.925 -9.794 4.455 1.00 0.00 N ATOM 0 HA GLN A 2 53.031 -6.634 4.281 1.00 0.00 H new ATOM 0 HB2 GLN A 2 50.464 -7.359 2.886 1.00 0.00 H new ATOM 0 HB3 GLN A 2 51.946 -7.679 2.007 1.00 0.00 H new ATOM 0 HG2 GLN A 2 51.762 -8.511 4.922 1.00 0.00 H new ATOM 0 HG3 GLN A 2 50.972 -9.499 3.710 1.00 0.00 H new ATOM 0 HE21 GLN A 2 53.658 -9.671 5.432 1.00 0.00 H new ATOM 0 HE22 GLN A 2 54.823 -10.217 4.221 1.00 0.00 H new ATOM 37 N ILE A 3 53.821 -5.749 1.990 1.00 0.00 N ATOM 38 CA ILE A 3 54.414 -4.962 0.921 1.00 0.00 C ATOM 39 C ILE A 3 54.954 -5.904 -0.124 1.00 0.00 C ATOM 40 O ILE A 3 55.535 -6.943 0.187 1.00 0.00 O ATOM 41 CB ILE A 3 55.496 -4.010 1.446 1.00 0.00 C ATOM 42 CG1 ILE A 3 54.790 -2.785 2.068 1.00 0.00 C ATOM 43 CG2 ILE A 3 56.410 -3.565 0.288 1.00 0.00 C ATOM 44 CD1 ILE A 3 55.575 -1.502 1.799 1.00 0.00 C ATOM 0 H ILE A 3 54.329 -6.605 2.214 1.00 0.00 H new ATOM 0 HA ILE A 3 53.650 -4.326 0.474 1.00 0.00 H new ATOM 0 HB ILE A 3 56.112 -4.509 2.194 1.00 0.00 H new ATOM 0 HG12 ILE A 3 53.785 -2.693 1.656 1.00 0.00 H new ATOM 0 HG13 ILE A 3 54.682 -2.930 3.143 1.00 0.00 H new ATOM 0 HG21 ILE A 3 57.176 -2.889 0.668 1.00 0.00 H new ATOM 0 HG22 ILE A 3 56.886 -4.439 -0.157 1.00 0.00 H new ATOM 0 HG23 ILE A 3 55.816 -3.051 -0.468 1.00 0.00 H new ATOM 0 HD11 ILE A 3 55.055 -0.656 2.248 1.00 0.00 H new ATOM 0 HD12 ILE A 3 56.571 -1.587 2.233 1.00 0.00 H new ATOM 0 HD13 ILE A 3 55.660 -1.346 0.724 1.00 0.00 H new ATOM 56 N PHE A 4 54.700 -5.552 -1.370 1.00 0.00 N ATOM 57 CA PHE A 4 55.092 -6.376 -2.497 1.00 0.00 C ATOM 58 C PHE A 4 56.253 -5.740 -3.261 1.00 0.00 C ATOM 59 O PHE A 4 56.260 -4.538 -3.517 1.00 0.00 O ATOM 60 CB PHE A 4 53.881 -6.496 -3.425 1.00 0.00 C ATOM 61 CG PHE A 4 52.903 -7.565 -2.974 1.00 0.00 C ATOM 62 CD1 PHE A 4 52.980 -8.144 -1.697 1.00 0.00 C ATOM 63 CD2 PHE A 4 51.899 -7.971 -3.862 1.00 0.00 C ATOM 64 CE1 PHE A 4 52.054 -9.126 -1.318 1.00 0.00 C ATOM 65 CE2 PHE A 4 50.976 -8.952 -3.480 1.00 0.00 C ATOM 66 CZ PHE A 4 51.055 -9.530 -2.210 1.00 0.00 C ATOM 0 H PHE A 4 54.218 -4.691 -1.629 1.00 0.00 H new ATOM 0 HA PHE A 4 55.418 -7.354 -2.142 1.00 0.00 H new ATOM 0 HB2 PHE A 4 53.367 -5.536 -3.472 1.00 0.00 H new ATOM 0 HB3 PHE A 4 54.223 -6.724 -4.435 1.00 0.00 H new ATOM 0 HD1 PHE A 4 53.751 -7.833 -1.008 1.00 0.00 H new ATOM 0 HD2 PHE A 4 51.837 -7.526 -4.844 1.00 0.00 H new ATOM 0 HE1 PHE A 4 52.112 -9.571 -0.336 1.00 0.00 H new ATOM 0 HE2 PHE A 4 50.203 -9.262 -4.167 1.00 0.00 H new ATOM 0 HZ PHE A 4 50.345 -10.289 -1.917 1.00 0.00 H new ATOM 76 N VAL A 5 57.233 -6.566 -3.621 1.00 0.00 N ATOM 77 CA VAL A 5 58.400 -6.093 -4.363 1.00 0.00 C ATOM 78 C VAL A 5 58.658 -6.996 -5.566 1.00 0.00 C ATOM 79 O VAL A 5 58.634 -8.221 -5.445 1.00 0.00 O ATOM 80 CB VAL A 5 59.627 -6.078 -3.450 1.00 0.00 C ATOM 81 CG1 VAL A 5 60.733 -5.235 -4.088 1.00 0.00 C ATOM 82 CG2 VAL A 5 59.242 -5.472 -2.098 1.00 0.00 C ATOM 0 H VAL A 5 57.243 -7.564 -3.412 1.00 0.00 H new ATOM 0 HA VAL A 5 58.207 -5.080 -4.717 1.00 0.00 H new ATOM 0 HB VAL A 5 59.987 -7.097 -3.308 1.00 0.00 H new ATOM 0 HG11 VAL A 5 61.606 -5.226 -3.435 1.00 0.00 H new ATOM 0 HG12 VAL A 5 61.006 -5.663 -5.053 1.00 0.00 H new ATOM 0 HG13 VAL A 5 60.376 -4.215 -4.231 1.00 0.00 H new ATOM 0 HG21 VAL A 5 60.114 -5.459 -1.444 1.00 0.00 H new ATOM 0 HG22 VAL A 5 58.883 -4.453 -2.245 1.00 0.00 H new ATOM 0 HG23 VAL A 5 58.454 -6.072 -1.642 1.00 0.00 H new ATOM 92 N LYS A 6 58.896 -6.390 -6.727 1.00 0.00 N ATOM 93 CA LYS A 6 59.148 -7.161 -7.944 1.00 0.00 C ATOM 94 C LYS A 6 60.623 -7.107 -8.329 1.00 0.00 C ATOM 95 O LYS A 6 61.237 -6.041 -8.333 1.00 0.00 O ATOM 96 CB LYS A 6 58.300 -6.616 -9.096 1.00 0.00 C ATOM 97 CG LYS A 6 58.355 -7.594 -10.271 1.00 0.00 C ATOM 98 CD LYS A 6 57.562 -7.029 -11.451 1.00 0.00 C ATOM 99 CE LYS A 6 57.453 -8.092 -12.544 1.00 0.00 C ATOM 100 NZ LYS A 6 58.808 -8.374 -13.098 1.00 0.00 N ATOM 0 H LYS A 6 58.920 -5.378 -6.852 1.00 0.00 H new ATOM 0 HA LYS A 6 58.876 -8.198 -7.749 1.00 0.00 H new ATOM 0 HB2 LYS A 6 57.269 -6.479 -8.770 1.00 0.00 H new ATOM 0 HB3 LYS A 6 58.670 -5.638 -9.404 1.00 0.00 H new ATOM 0 HG2 LYS A 6 59.390 -7.766 -10.565 1.00 0.00 H new ATOM 0 HG3 LYS A 6 57.944 -8.559 -9.973 1.00 0.00 H new ATOM 0 HD2 LYS A 6 56.568 -6.725 -11.123 1.00 0.00 H new ATOM 0 HD3 LYS A 6 58.055 -6.139 -11.842 1.00 0.00 H new ATOM 0 HE2 LYS A 6 57.017 -9.005 -12.137 1.00 0.00 H new ATOM 0 HE3 LYS A 6 56.789 -7.748 -13.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 58.716 -8.922 -13.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 59.295 -7.477 -13.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 59.359 -8.920 -12.406 1.00 0.00 H new ATOM 114 N THR A 7 61.180 -8.269 -8.661 1.00 0.00 N ATOM 115 CA THR A 7 62.583 -8.360 -9.060 1.00 0.00 C ATOM 116 C THR A 7 62.689 -8.850 -10.500 1.00 0.00 C ATOM 117 O THR A 7 61.825 -9.586 -10.979 1.00 0.00 O ATOM 118 CB THR A 7 63.328 -9.325 -8.135 1.00 0.00 C ATOM 119 OG1 THR A 7 62.618 -10.554 -8.065 1.00 0.00 O ATOM 120 CG2 THR A 7 63.437 -8.714 -6.737 1.00 0.00 C ATOM 0 H THR A 7 60.683 -9.160 -8.662 1.00 0.00 H new ATOM 0 HA THR A 7 63.032 -7.370 -8.985 1.00 0.00 H new ATOM 0 HB THR A 7 64.329 -9.506 -8.527 1.00 0.00 H new ATOM 0 HG1 THR A 7 61.947 -10.504 -7.352 1.00 0.00 H new ATOM 0 HG21 THR A 7 63.968 -9.402 -6.079 1.00 0.00 H new ATOM 0 HG22 THR A 7 63.983 -7.772 -6.793 1.00 0.00 H new ATOM 0 HG23 THR A 7 62.438 -8.531 -6.341 1.00 0.00 H new ATOM 128 N LEU A 8 63.748 -8.439 -11.189 1.00 0.00 N ATOM 129 CA LEU A 8 63.950 -8.845 -12.575 1.00 0.00 C ATOM 130 C LEU A 8 64.168 -10.352 -12.673 1.00 0.00 C ATOM 131 O LEU A 8 64.292 -10.900 -13.768 1.00 0.00 O ATOM 132 CB LEU A 8 65.155 -8.112 -13.170 1.00 0.00 C ATOM 133 CG LEU A 8 64.987 -6.601 -12.979 1.00 0.00 C ATOM 134 CD1 LEU A 8 66.168 -5.873 -13.622 1.00 0.00 C ATOM 135 CD2 LEU A 8 63.680 -6.136 -13.636 1.00 0.00 C ATOM 0 H LEU A 8 64.475 -7.830 -10.814 1.00 0.00 H new ATOM 0 HA LEU A 8 63.054 -8.584 -13.138 1.00 0.00 H new ATOM 0 HB2 LEU A 8 66.072 -8.449 -12.688 1.00 0.00 H new ATOM 0 HB3 LEU A 8 65.248 -8.346 -14.231 1.00 0.00 H new ATOM 0 HG LEU A 8 64.954 -6.374 -11.913 1.00 0.00 H new ATOM 0 HD11 LEU A 8 66.050 -4.798 -13.487 1.00 0.00 H new ATOM 0 HD12 LEU A 8 67.096 -6.198 -13.151 1.00 0.00 H new ATOM 0 HD13 LEU A 8 66.201 -6.103 -14.687 1.00 0.00 H new ATOM 0 HD21 LEU A 8 63.565 -5.061 -13.497 1.00 0.00 H new ATOM 0 HD22 LEU A 8 63.707 -6.363 -14.702 1.00 0.00 H new ATOM 0 HD23 LEU A 8 62.838 -6.653 -13.176 1.00 0.00 H new ATOM 147 N THR A 9 64.220 -11.017 -11.523 1.00 0.00 N ATOM 148 CA THR A 9 64.427 -12.462 -11.496 1.00 0.00 C ATOM 149 C THR A 9 63.088 -13.197 -11.512 1.00 0.00 C ATOM 150 O THR A 9 63.039 -14.416 -11.668 1.00 0.00 O ATOM 151 CB THR A 9 65.215 -12.851 -10.243 1.00 0.00 C ATOM 152 OG1 THR A 9 66.400 -12.070 -10.170 1.00 0.00 O ATOM 153 CG2 THR A 9 65.581 -14.335 -10.302 1.00 0.00 C ATOM 0 H THR A 9 64.123 -10.584 -10.605 1.00 0.00 H new ATOM 0 HA THR A 9 64.992 -12.748 -12.383 1.00 0.00 H new ATOM 0 HB THR A 9 64.603 -12.669 -9.360 1.00 0.00 H new ATOM 0 HG1 THR A 9 66.905 -12.316 -9.367 1.00 0.00 H new ATOM 0 HG21 THR A 9 66.142 -14.607 -9.408 1.00 0.00 H new ATOM 0 HG22 THR A 9 64.671 -14.932 -10.355 1.00 0.00 H new ATOM 0 HG23 THR A 9 66.191 -14.524 -11.185 1.00 0.00 H new ATOM 161 N GLY A 10 62.003 -12.442 -11.360 1.00 0.00 N ATOM 162 CA GLY A 10 60.665 -13.027 -11.369 1.00 0.00 C ATOM 163 C GLY A 10 60.329 -13.679 -10.032 1.00 0.00 C ATOM 164 O GLY A 10 59.237 -14.221 -9.855 1.00 0.00 O ATOM 0 H GLY A 10 62.023 -11.431 -11.230 1.00 0.00 H new ATOM 0 HA2 GLY A 10 59.930 -12.253 -11.592 1.00 0.00 H new ATOM 0 HA3 GLY A 10 60.597 -13.770 -12.164 1.00 0.00 H new ATOM 168 N LYS A 11 61.266 -13.630 -9.094 1.00 0.00 N ATOM 169 CA LYS A 11 61.044 -14.226 -7.783 1.00 0.00 C ATOM 170 C LYS A 11 60.154 -13.329 -6.927 1.00 0.00 C ATOM 171 O LYS A 11 60.460 -12.155 -6.716 1.00 0.00 O ATOM 172 CB LYS A 11 62.381 -14.447 -7.074 1.00 0.00 C ATOM 173 CG LYS A 11 62.136 -15.114 -5.719 1.00 0.00 C ATOM 174 CD LYS A 11 63.462 -15.612 -5.139 1.00 0.00 C ATOM 175 CE LYS A 11 63.187 -16.469 -3.902 1.00 0.00 C ATOM 176 NZ LYS A 11 62.643 -15.608 -2.816 1.00 0.00 N ATOM 0 H LYS A 11 62.178 -13.189 -9.214 1.00 0.00 H new ATOM 0 HA LYS A 11 60.545 -15.185 -7.923 1.00 0.00 H new ATOM 0 HB2 LYS A 11 63.031 -15.072 -7.687 1.00 0.00 H new ATOM 0 HB3 LYS A 11 62.893 -13.495 -6.935 1.00 0.00 H new ATOM 0 HG2 LYS A 11 61.672 -14.405 -5.033 1.00 0.00 H new ATOM 0 HG3 LYS A 11 61.443 -15.947 -5.834 1.00 0.00 H new ATOM 0 HD2 LYS A 11 64.002 -16.194 -5.886 1.00 0.00 H new ATOM 0 HD3 LYS A 11 64.096 -14.766 -4.875 1.00 0.00 H new ATOM 0 HE2 LYS A 11 62.477 -17.260 -4.144 1.00 0.00 H new ATOM 0 HE3 LYS A 11 64.105 -16.955 -3.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 62.614 -16.147 -1.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 63.253 -14.774 -2.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 61.681 -15.301 -3.066 1.00 0.00 H new ATOM 190 N THR A 12 59.054 -13.893 -6.435 1.00 0.00 N ATOM 191 CA THR A 12 58.126 -13.139 -5.597 1.00 0.00 C ATOM 192 C THR A 12 58.623 -13.109 -4.154 1.00 0.00 C ATOM 193 O THR A 12 58.812 -14.154 -3.533 1.00 0.00 O ATOM 194 CB THR A 12 56.734 -13.780 -5.651 1.00 0.00 C ATOM 195 OG1 THR A 12 56.175 -13.586 -6.943 1.00 0.00 O ATOM 196 CG2 THR A 12 55.825 -13.136 -4.602 1.00 0.00 C ATOM 0 H THR A 12 58.785 -14.863 -6.601 1.00 0.00 H new ATOM 0 HA THR A 12 58.066 -12.117 -5.972 1.00 0.00 H new ATOM 0 HB THR A 12 56.821 -14.847 -5.445 1.00 0.00 H new ATOM 0 HG1 THR A 12 55.286 -13.997 -6.980 1.00 0.00 H new ATOM 0 HG21 THR A 12 54.837 -13.595 -4.645 1.00 0.00 H new ATOM 0 HG22 THR A 12 56.252 -13.285 -3.610 1.00 0.00 H new ATOM 0 HG23 THR A 12 55.738 -12.068 -4.803 1.00 0.00 H new ATOM 204 N ILE A 13 58.840 -11.905 -3.632 1.00 0.00 N ATOM 205 CA ILE A 13 59.326 -11.745 -2.262 1.00 0.00 C ATOM 206 C ILE A 13 58.331 -10.941 -1.426 1.00 0.00 C ATOM 207 O ILE A 13 57.892 -9.865 -1.832 1.00 0.00 O ATOM 208 CB ILE A 13 60.682 -11.037 -2.283 1.00 0.00 C ATOM 209 CG1 ILE A 13 61.337 -11.132 -0.902 1.00 0.00 C ATOM 210 CG2 ILE A 13 60.486 -9.566 -2.654 1.00 0.00 C ATOM 211 CD1 ILE A 13 62.790 -10.646 -0.981 1.00 0.00 C ATOM 0 H ILE A 13 58.688 -11.029 -4.133 1.00 0.00 H new ATOM 0 HA ILE A 13 59.435 -12.731 -1.810 1.00 0.00 H new ATOM 0 HB ILE A 13 61.325 -11.516 -3.021 1.00 0.00 H new ATOM 0 HG12 ILE A 13 60.781 -10.530 -0.184 1.00 0.00 H new ATOM 0 HG13 ILE A 13 61.307 -12.162 -0.545 1.00 0.00 H new ATOM 0 HG21 ILE A 13 61.453 -9.063 -2.669 1.00 0.00 H new ATOM 0 HG22 ILE A 13 60.026 -9.498 -3.640 1.00 0.00 H new ATOM 0 HG23 ILE A 13 59.839 -9.088 -1.918 1.00 0.00 H new ATOM 0 HD11 ILE A 13 63.251 -10.716 0.004 1.00 0.00 H new ATOM 0 HD12 ILE A 13 63.344 -11.267 -1.685 1.00 0.00 H new ATOM 0 HD13 ILE A 13 62.809 -9.610 -1.318 1.00 0.00 H new ATOM 223 N THR A 14 57.979 -11.476 -0.259 1.00 0.00 N ATOM 224 CA THR A 14 57.031 -10.808 0.633 1.00 0.00 C ATOM 225 C THR A 14 57.697 -10.446 1.956 1.00 0.00 C ATOM 226 O THR A 14 58.447 -11.241 2.523 1.00 0.00 O ATOM 227 CB THR A 14 55.839 -11.728 0.907 1.00 0.00 C ATOM 228 OG1 THR A 14 56.182 -12.653 1.931 1.00 0.00 O ATOM 229 CG2 THR A 14 55.472 -12.487 -0.370 1.00 0.00 C ATOM 0 H THR A 14 58.333 -12.366 0.091 1.00 0.00 H new ATOM 0 HA THR A 14 56.690 -9.894 0.146 1.00 0.00 H new ATOM 0 HB THR A 14 54.985 -11.131 1.228 1.00 0.00 H new ATOM 0 HG1 THR A 14 55.419 -13.242 2.109 1.00 0.00 H new ATOM 0 HG21 THR A 14 54.623 -13.142 -0.173 1.00 0.00 H new ATOM 0 HG22 THR A 14 55.208 -11.776 -1.153 1.00 0.00 H new ATOM 0 HG23 THR A 14 56.323 -13.085 -0.695 1.00 0.00 H new ATOM 237 N LEU A 15 57.409 -9.243 2.446 1.00 0.00 N ATOM 238 CA LEU A 15 57.975 -8.778 3.711 1.00 0.00 C ATOM 239 C LEU A 15 56.870 -8.581 4.729 1.00 0.00 C ATOM 240 O LEU A 15 55.762 -8.175 4.379 1.00 0.00 O ATOM 241 CB LEU A 15 58.727 -7.443 3.530 1.00 0.00 C ATOM 242 CG LEU A 15 58.957 -7.146 2.046 1.00 0.00 C ATOM 243 CD1 LEU A 15 59.360 -5.680 1.880 1.00 0.00 C ATOM 244 CD2 LEU A 15 60.081 -8.039 1.513 1.00 0.00 C ATOM 0 H LEU A 15 56.789 -8.574 1.989 1.00 0.00 H new ATOM 0 HA LEU A 15 58.678 -9.535 4.059 1.00 0.00 H new ATOM 0 HB2 LEU A 15 58.155 -6.634 3.983 1.00 0.00 H new ATOM 0 HB3 LEU A 15 59.684 -7.486 4.050 1.00 0.00 H new ATOM 0 HG LEU A 15 58.040 -7.342 1.491 1.00 0.00 H new ATOM 0 HD11 LEU A 15 59.525 -5.465 0.824 1.00 0.00 H new ATOM 0 HD12 LEU A 15 58.565 -5.039 2.261 1.00 0.00 H new ATOM 0 HD13 LEU A 15 60.278 -5.490 2.436 1.00 0.00 H new ATOM 0 HD21 LEU A 15 60.244 -7.827 0.456 1.00 0.00 H new ATOM 0 HD22 LEU A 15 60.998 -7.841 2.069 1.00 0.00 H new ATOM 0 HD23 LEU A 15 59.802 -9.086 1.634 1.00 0.00 H new ATOM 256 N GLU A 16 57.180 -8.823 5.995 1.00 0.00 N ATOM 257 CA GLU A 16 56.189 -8.610 7.031 1.00 0.00 C ATOM 258 C GLU A 16 56.446 -7.229 7.589 1.00 0.00 C ATOM 259 O GLU A 16 57.472 -6.981 8.225 1.00 0.00 O ATOM 260 CB GLU A 16 56.330 -9.660 8.140 1.00 0.00 C ATOM 261 CG GLU A 16 56.258 -11.072 7.540 1.00 0.00 C ATOM 262 CD GLU A 16 54.811 -11.556 7.502 1.00 0.00 C ATOM 263 OE1 GLU A 16 53.988 -10.860 6.932 1.00 0.00 O ATOM 264 OE2 GLU A 16 54.548 -12.618 8.044 1.00 0.00 O ATOM 0 H GLU A 16 58.087 -9.158 6.321 1.00 0.00 H new ATOM 0 HA GLU A 16 55.180 -8.698 6.628 1.00 0.00 H new ATOM 0 HB2 GLU A 16 57.278 -9.525 8.661 1.00 0.00 H new ATOM 0 HB3 GLU A 16 55.539 -9.529 8.879 1.00 0.00 H new ATOM 0 HG2 GLU A 16 56.674 -11.069 6.533 1.00 0.00 H new ATOM 0 HG3 GLU A 16 56.863 -11.758 8.133 1.00 0.00 H new ATOM 271 N VAL A 17 55.533 -6.318 7.297 1.00 0.00 N ATOM 272 CA VAL A 17 55.695 -4.943 7.722 1.00 0.00 C ATOM 273 C VAL A 17 54.359 -4.266 7.964 1.00 0.00 C ATOM 274 O VAL A 17 53.298 -4.812 7.669 1.00 0.00 O ATOM 275 CB VAL A 17 56.449 -4.180 6.628 1.00 0.00 C ATOM 276 CG1 VAL A 17 55.637 -4.199 5.334 1.00 0.00 C ATOM 277 CG2 VAL A 17 56.666 -2.729 7.062 1.00 0.00 C ATOM 0 H VAL A 17 54.679 -6.506 6.771 1.00 0.00 H new ATOM 0 HA VAL A 17 56.249 -4.937 8.661 1.00 0.00 H new ATOM 0 HB VAL A 17 57.414 -4.659 6.463 1.00 0.00 H new ATOM 0 HG11 VAL A 17 56.176 -3.655 4.558 1.00 0.00 H new ATOM 0 HG12 VAL A 17 55.484 -5.230 5.015 1.00 0.00 H new ATOM 0 HG13 VAL A 17 54.670 -3.725 5.504 1.00 0.00 H new ATOM 0 HG21 VAL A 17 57.203 -2.192 6.280 1.00 0.00 H new ATOM 0 HG22 VAL A 17 55.701 -2.252 7.233 1.00 0.00 H new ATOM 0 HG23 VAL A 17 57.249 -2.708 7.983 1.00 0.00 H new ATOM 287 N GLU A 18 54.443 -3.035 8.456 1.00 0.00 N ATOM 288 CA GLU A 18 53.274 -2.205 8.685 1.00 0.00 C ATOM 289 C GLU A 18 53.223 -1.213 7.523 1.00 0.00 C ATOM 290 O GLU A 18 54.141 -1.188 6.712 1.00 0.00 O ATOM 291 CB GLU A 18 53.410 -1.471 10.027 1.00 0.00 C ATOM 292 CG GLU A 18 54.893 -1.266 10.351 1.00 0.00 C ATOM 293 CD GLU A 18 55.501 -2.567 10.865 1.00 0.00 C ATOM 294 OE1 GLU A 18 54.797 -3.303 11.537 1.00 0.00 O ATOM 295 OE2 GLU A 18 56.663 -2.807 10.583 1.00 0.00 O ATOM 0 H GLU A 18 55.325 -2.588 8.706 1.00 0.00 H new ATOM 0 HA GLU A 18 52.359 -2.795 8.732 1.00 0.00 H new ATOM 0 HB2 GLU A 18 52.901 -0.508 9.980 1.00 0.00 H new ATOM 0 HB3 GLU A 18 52.930 -2.047 10.819 1.00 0.00 H new ATOM 0 HG2 GLU A 18 55.426 -0.934 9.460 1.00 0.00 H new ATOM 0 HG3 GLU A 18 55.005 -0.482 11.100 1.00 0.00 H new ATOM 302 N PRO A 19 52.216 -0.406 7.383 1.00 0.00 N ATOM 303 CA PRO A 19 52.154 0.538 6.268 1.00 0.00 C ATOM 304 C PRO A 19 53.104 1.690 6.484 1.00 0.00 C ATOM 305 O PRO A 19 53.286 2.512 5.587 1.00 0.00 O ATOM 306 CB PRO A 19 50.695 0.978 6.192 1.00 0.00 C ATOM 307 CG PRO A 19 49.986 0.232 7.273 1.00 0.00 C ATOM 308 CD PRO A 19 51.049 -0.256 8.232 1.00 0.00 C ATOM 0 HA PRO A 19 52.467 0.090 5.325 1.00 0.00 H new ATOM 0 HB2 PRO A 19 50.604 2.055 6.336 1.00 0.00 H new ATOM 0 HB3 PRO A 19 50.268 0.750 5.215 1.00 0.00 H new ATOM 0 HG2 PRO A 19 49.271 0.877 7.783 1.00 0.00 H new ATOM 0 HG3 PRO A 19 49.423 -0.605 6.861 1.00 0.00 H new ATOM 0 HD2 PRO A 19 51.225 0.459 9.036 1.00 0.00 H new ATOM 0 HD3 PRO A 19 50.767 -1.199 8.700 1.00 0.00 H new ATOM 316 N SER A 20 53.740 1.767 7.664 1.00 0.00 N ATOM 317 CA SER A 20 54.654 2.865 7.839 1.00 0.00 C ATOM 318 C SER A 20 55.894 2.488 7.080 1.00 0.00 C ATOM 319 O SER A 20 56.523 3.333 6.458 1.00 0.00 O ATOM 320 CB SER A 20 54.971 3.070 9.325 1.00 0.00 C ATOM 321 OG SER A 20 54.531 1.933 10.057 1.00 0.00 O ATOM 0 H SER A 20 53.640 1.124 8.450 1.00 0.00 H new ATOM 0 HA SER A 20 54.231 3.801 7.475 1.00 0.00 H new ATOM 0 HB2 SER A 20 56.042 3.215 9.464 1.00 0.00 H new ATOM 0 HB3 SER A 20 54.477 3.969 9.694 1.00 0.00 H new ATOM 0 HG SER A 20 54.733 2.058 11.008 1.00 0.00 H new ATOM 327 N ASP A 21 56.118 1.183 6.954 1.00 0.00 N ATOM 328 CA ASP A 21 57.135 0.720 6.044 1.00 0.00 C ATOM 329 C ASP A 21 58.269 1.704 5.935 1.00 0.00 C ATOM 330 O ASP A 21 58.419 2.290 4.870 1.00 0.00 O ATOM 331 CB ASP A 21 56.546 0.404 4.680 1.00 0.00 C ATOM 332 CG ASP A 21 56.360 -1.099 4.533 1.00 0.00 C ATOM 333 OD1 ASP A 21 57.341 -1.778 4.280 1.00 0.00 O ATOM 334 OD2 ASP A 21 55.237 -1.545 4.677 1.00 0.00 O ATOM 0 H ASP A 21 55.618 0.452 7.460 1.00 0.00 H new ATOM 0 HA ASP A 21 57.545 -0.204 6.452 1.00 0.00 H new ATOM 0 HB2 ASP A 21 55.589 0.911 4.561 1.00 0.00 H new ATOM 0 HB3 ASP A 21 57.204 0.777 3.895 1.00 0.00 H new ATOM 339 N THR A 22 59.032 1.993 6.956 1.00 0.00 N ATOM 340 CA THR A 22 60.010 3.028 6.711 1.00 0.00 C ATOM 341 C THR A 22 61.189 2.356 6.067 1.00 0.00 C ATOM 342 O THR A 22 61.563 1.238 6.393 1.00 0.00 O ATOM 343 CB THR A 22 60.414 3.723 8.021 1.00 0.00 C ATOM 344 OG1 THR A 22 61.719 3.319 8.391 1.00 0.00 O ATOM 345 CG2 THR A 22 59.428 3.351 9.130 1.00 0.00 C ATOM 0 H THR A 22 59.009 1.574 7.886 1.00 0.00 H new ATOM 0 HA THR A 22 59.605 3.805 6.063 1.00 0.00 H new ATOM 0 HB THR A 22 60.398 4.803 7.873 1.00 0.00 H new ATOM 0 HG1 THR A 22 61.994 3.800 9.199 1.00 0.00 H new ATOM 0 HG21 THR A 22 59.719 3.846 10.057 1.00 0.00 H new ATOM 0 HG22 THR A 22 58.425 3.670 8.847 1.00 0.00 H new ATOM 0 HG23 THR A 22 59.437 2.271 9.278 1.00 0.00 H new ATOM 353 N ILE A 23 61.673 3.028 5.038 1.00 0.00 N ATOM 354 CA ILE A 23 62.712 2.490 4.187 1.00 0.00 C ATOM 355 C ILE A 23 63.896 2.034 5.007 1.00 0.00 C ATOM 356 O ILE A 23 64.419 0.948 4.774 1.00 0.00 O ATOM 357 CB ILE A 23 63.097 3.539 3.135 1.00 0.00 C ATOM 358 CG1 ILE A 23 61.971 4.596 3.059 1.00 0.00 C ATOM 359 CG2 ILE A 23 63.281 2.878 1.757 1.00 0.00 C ATOM 360 CD1 ILE A 23 60.688 3.964 2.547 1.00 0.00 C ATOM 0 H ILE A 23 61.356 3.960 4.771 1.00 0.00 H new ATOM 0 HA ILE A 23 62.341 1.608 3.665 1.00 0.00 H new ATOM 0 HB ILE A 23 64.039 4.009 3.419 1.00 0.00 H new ATOM 0 HG12 ILE A 23 61.803 5.029 4.045 1.00 0.00 H new ATOM 0 HG13 ILE A 23 62.271 5.410 2.400 1.00 0.00 H new ATOM 0 HG21 ILE A 23 63.554 3.636 1.023 1.00 0.00 H new ATOM 0 HG22 ILE A 23 64.071 2.129 1.815 1.00 0.00 H new ATOM 0 HG23 ILE A 23 62.349 2.400 1.455 1.00 0.00 H new ATOM 0 HD11 ILE A 23 59.904 4.720 2.499 1.00 0.00 H new ATOM 0 HD12 ILE A 23 60.857 3.552 1.552 1.00 0.00 H new ATOM 0 HD13 ILE A 23 60.381 3.166 3.222 1.00 0.00 H new ATOM 372 N GLU A 24 64.279 2.791 6.015 1.00 0.00 N ATOM 373 CA GLU A 24 65.348 2.311 6.854 1.00 0.00 C ATOM 374 C GLU A 24 64.837 1.007 7.474 1.00 0.00 C ATOM 375 O GLU A 24 65.600 0.081 7.749 1.00 0.00 O ATOM 376 CB GLU A 24 65.724 3.345 7.930 1.00 0.00 C ATOM 377 CG GLU A 24 64.657 3.395 9.034 1.00 0.00 C ATOM 378 CD GLU A 24 65.102 2.570 10.237 1.00 0.00 C ATOM 379 OE1 GLU A 24 65.950 3.046 10.976 1.00 0.00 O ATOM 380 OE2 GLU A 24 64.589 1.477 10.404 1.00 0.00 O ATOM 0 H GLU A 24 63.886 3.699 6.263 1.00 0.00 H new ATOM 0 HA GLU A 24 66.260 2.142 6.281 1.00 0.00 H new ATOM 0 HB2 GLU A 24 66.691 3.090 8.364 1.00 0.00 H new ATOM 0 HB3 GLU A 24 65.829 4.330 7.474 1.00 0.00 H new ATOM 0 HG2 GLU A 24 64.485 4.428 9.336 1.00 0.00 H new ATOM 0 HG3 GLU A 24 63.710 3.013 8.652 1.00 0.00 H new ATOM 387 N ASN A 25 63.506 0.958 7.652 1.00 0.00 N ATOM 388 CA ASN A 25 62.818 -0.215 8.198 1.00 0.00 C ATOM 389 C ASN A 25 62.626 -1.312 7.142 1.00 0.00 C ATOM 390 O ASN A 25 62.875 -2.488 7.408 1.00 0.00 O ATOM 391 CB ASN A 25 61.454 0.205 8.755 1.00 0.00 C ATOM 392 CG ASN A 25 61.081 -0.668 9.950 1.00 0.00 C ATOM 393 OD1 ASN A 25 61.876 -0.828 10.877 1.00 0.00 O ATOM 394 ND2 ASN A 25 59.911 -1.243 9.983 1.00 0.00 N ATOM 0 H ASN A 25 62.882 1.731 7.421 1.00 0.00 H new ATOM 0 HA ASN A 25 63.441 -0.625 8.993 1.00 0.00 H new ATOM 0 HB2 ASN A 25 61.483 1.252 9.055 1.00 0.00 H new ATOM 0 HB3 ASN A 25 60.693 0.117 7.979 1.00 0.00 H new ATOM 0 HD21 ASN A 25 59.652 -1.827 10.778 1.00 0.00 H new ATOM 0 HD22 ASN A 25 59.255 -1.109 9.214 1.00 0.00 H new ATOM 401 N VAL A 26 62.172 -0.923 5.948 1.00 0.00 N ATOM 402 CA VAL A 26 61.943 -1.887 4.873 1.00 0.00 C ATOM 403 C VAL A 26 63.270 -2.376 4.316 1.00 0.00 C ATOM 404 O VAL A 26 63.470 -3.570 4.111 1.00 0.00 O ATOM 405 CB VAL A 26 61.125 -1.254 3.743 1.00 0.00 C ATOM 406 CG1 VAL A 26 60.657 -2.347 2.775 1.00 0.00 C ATOM 407 CG2 VAL A 26 59.904 -0.536 4.322 1.00 0.00 C ATOM 0 H VAL A 26 61.958 0.044 5.704 1.00 0.00 H new ATOM 0 HA VAL A 26 61.387 -2.729 5.286 1.00 0.00 H new ATOM 0 HB VAL A 26 61.748 -0.535 3.212 1.00 0.00 H new ATOM 0 HG11 VAL A 26 60.075 -1.896 1.971 1.00 0.00 H new ATOM 0 HG12 VAL A 26 61.524 -2.856 2.354 1.00 0.00 H new ATOM 0 HG13 VAL A 26 60.039 -3.067 3.311 1.00 0.00 H new ATOM 0 HG21 VAL A 26 59.327 -0.088 3.513 1.00 0.00 H new ATOM 0 HG22 VAL A 26 59.281 -1.252 4.858 1.00 0.00 H new ATOM 0 HG23 VAL A 26 60.232 0.245 5.008 1.00 0.00 H new ATOM 417 N LYS A 27 64.175 -1.439 4.077 1.00 0.00 N ATOM 418 CA LYS A 27 65.486 -1.773 3.541 1.00 0.00 C ATOM 419 C LYS A 27 66.165 -2.806 4.415 1.00 0.00 C ATOM 420 O LYS A 27 66.622 -3.843 3.933 1.00 0.00 O ATOM 421 CB LYS A 27 66.345 -0.520 3.522 1.00 0.00 C ATOM 422 CG LYS A 27 65.714 0.524 2.594 1.00 0.00 C ATOM 423 CD LYS A 27 66.311 0.405 1.183 1.00 0.00 C ATOM 424 CE LYS A 27 65.198 0.198 0.160 1.00 0.00 C ATOM 425 NZ LYS A 27 64.862 -1.251 0.094 1.00 0.00 N ATOM 0 H LYS A 27 64.026 -0.444 4.245 1.00 0.00 H new ATOM 0 HA LYS A 27 65.364 -2.174 2.535 1.00 0.00 H new ATOM 0 HB2 LYS A 27 66.438 -0.116 4.530 1.00 0.00 H new ATOM 0 HB3 LYS A 27 67.352 -0.762 3.181 1.00 0.00 H new ATOM 0 HG2 LYS A 27 64.634 0.381 2.554 1.00 0.00 H new ATOM 0 HG3 LYS A 27 65.889 1.525 2.988 1.00 0.00 H new ATOM 0 HD2 LYS A 27 66.875 1.306 0.941 1.00 0.00 H new ATOM 0 HD3 LYS A 27 67.011 -0.430 1.145 1.00 0.00 H new ATOM 0 HE2 LYS A 27 64.317 0.776 0.440 1.00 0.00 H new ATOM 0 HE3 LYS A 27 65.516 0.556 -0.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 64.677 -1.520 -0.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 65.659 -1.809 0.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 64.015 -1.437 0.668 1.00 0.00 H new ATOM 439 N ALA A 28 66.221 -2.518 5.704 1.00 0.00 N ATOM 440 CA ALA A 28 66.838 -3.431 6.642 1.00 0.00 C ATOM 441 C ALA A 28 66.151 -4.788 6.558 1.00 0.00 C ATOM 442 O ALA A 28 66.800 -5.830 6.653 1.00 0.00 O ATOM 443 CB ALA A 28 66.744 -2.861 8.055 1.00 0.00 C ATOM 0 H ALA A 28 65.849 -1.664 6.120 1.00 0.00 H new ATOM 0 HA ALA A 28 67.891 -3.558 6.393 1.00 0.00 H new ATOM 0 HB1 ALA A 28 67.210 -3.552 8.758 1.00 0.00 H new ATOM 0 HB2 ALA A 28 67.258 -1.901 8.095 1.00 0.00 H new ATOM 0 HB3 ALA A 28 65.696 -2.723 8.323 1.00 0.00 H new ATOM 449 N LYS A 29 64.839 -4.770 6.337 1.00 0.00 N ATOM 450 CA LYS A 29 64.094 -6.010 6.194 1.00 0.00 C ATOM 451 C LYS A 29 64.600 -6.725 4.944 1.00 0.00 C ATOM 452 O LYS A 29 64.709 -7.951 4.913 1.00 0.00 O ATOM 453 CB LYS A 29 62.577 -5.735 6.094 1.00 0.00 C ATOM 454 CG LYS A 29 61.919 -5.986 7.456 1.00 0.00 C ATOM 455 CD LYS A 29 60.458 -5.531 7.419 1.00 0.00 C ATOM 456 CE LYS A 29 59.919 -5.429 8.846 1.00 0.00 C ATOM 457 NZ LYS A 29 59.911 -6.781 9.472 1.00 0.00 N ATOM 0 H LYS A 29 64.279 -3.921 6.255 1.00 0.00 H new ATOM 0 HA LYS A 29 64.248 -6.638 7.071 1.00 0.00 H new ATOM 0 HB2 LYS A 29 62.404 -4.706 5.779 1.00 0.00 H new ATOM 0 HB3 LYS A 29 62.129 -6.380 5.338 1.00 0.00 H new ATOM 0 HG2 LYS A 29 61.973 -7.046 7.706 1.00 0.00 H new ATOM 0 HG3 LYS A 29 62.458 -5.447 8.235 1.00 0.00 H new ATOM 0 HD2 LYS A 29 60.379 -4.565 6.919 1.00 0.00 H new ATOM 0 HD3 LYS A 29 59.861 -6.238 6.843 1.00 0.00 H new ATOM 0 HE2 LYS A 29 60.537 -4.749 9.432 1.00 0.00 H new ATOM 0 HE3 LYS A 29 58.911 -5.015 8.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 59.691 -6.693 10.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 59.190 -7.373 9.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 60.846 -7.222 9.358 1.00 0.00 H new ATOM 471 N ILE A 30 64.923 -5.935 3.917 1.00 0.00 N ATOM 472 CA ILE A 30 65.438 -6.488 2.668 1.00 0.00 C ATOM 473 C ILE A 30 66.903 -6.910 2.830 1.00 0.00 C ATOM 474 O ILE A 30 67.363 -7.837 2.163 1.00 0.00 O ATOM 475 CB ILE A 30 65.308 -5.466 1.538 1.00 0.00 C ATOM 476 CG1 ILE A 30 63.842 -5.056 1.387 1.00 0.00 C ATOM 477 CG2 ILE A 30 65.780 -6.086 0.221 1.00 0.00 C ATOM 478 CD1 ILE A 30 63.723 -3.937 0.348 1.00 0.00 C ATOM 0 H ILE A 30 64.837 -4.919 3.928 1.00 0.00 H new ATOM 0 HA ILE A 30 64.847 -7.368 2.414 1.00 0.00 H new ATOM 0 HB ILE A 30 65.919 -4.595 1.776 1.00 0.00 H new ATOM 0 HG12 ILE A 30 63.244 -5.914 1.081 1.00 0.00 H new ATOM 0 HG13 ILE A 30 63.448 -4.719 2.346 1.00 0.00 H new ATOM 0 HG21 ILE A 30 65.685 -5.353 -0.581 1.00 0.00 H new ATOM 0 HG22 ILE A 30 66.823 -6.389 0.314 1.00 0.00 H new ATOM 0 HG23 ILE A 30 65.169 -6.958 -0.010 1.00 0.00 H new ATOM 0 HD11 ILE A 30 62.677 -3.648 0.243 1.00 0.00 H new ATOM 0 HD12 ILE A 30 64.307 -3.076 0.672 1.00 0.00 H new ATOM 0 HD13 ILE A 30 64.100 -4.290 -0.612 1.00 0.00 H new ATOM 490 N GLN A 31 67.631 -6.237 3.724 1.00 0.00 N ATOM 491 CA GLN A 31 69.035 -6.577 3.951 1.00 0.00 C ATOM 492 C GLN A 31 69.147 -8.050 4.343 1.00 0.00 C ATOM 493 O GLN A 31 70.103 -8.732 3.972 1.00 0.00 O ATOM 494 CB GLN A 31 69.623 -5.700 5.064 1.00 0.00 C ATOM 495 CG GLN A 31 71.120 -6.023 5.252 1.00 0.00 C ATOM 496 CD GLN A 31 71.969 -4.782 4.988 1.00 0.00 C ATOM 497 OE1 GLN A 31 71.735 -4.058 3.930 1.00 0.00 O flip ATOM 498 NE2 GLN A 31 72.871 -4.467 5.765 1.00 0.00 N flip ATOM 0 H GLN A 31 67.279 -5.467 4.293 1.00 0.00 H new ATOM 0 HA GLN A 31 69.594 -6.400 3.032 1.00 0.00 H new ATOM 0 HB2 GLN A 31 69.498 -4.647 4.813 1.00 0.00 H new ATOM 0 HB3 GLN A 31 69.085 -5.872 5.996 1.00 0.00 H new ATOM 0 HG2 GLN A 31 71.296 -6.383 6.265 1.00 0.00 H new ATOM 0 HG3 GLN A 31 71.414 -6.824 4.573 1.00 0.00 H new ATOM 0 HE21 GLN A 31 73.053 -5.035 6.593 1.00 0.00 H new ATOM 0 HE22 GLN A 31 73.436 -3.638 5.581 1.00 0.00 H new ATOM 507 N ASP A 32 68.152 -8.536 5.089 1.00 0.00 N ATOM 508 CA ASP A 32 68.133 -9.933 5.520 1.00 0.00 C ATOM 509 C ASP A 32 67.908 -10.858 4.325 1.00 0.00 C ATOM 510 O ASP A 32 68.593 -11.870 4.175 1.00 0.00 O ATOM 511 CB ASP A 32 67.022 -10.145 6.555 1.00 0.00 C ATOM 512 CG ASP A 32 67.514 -9.759 7.947 1.00 0.00 C ATOM 513 OD1 ASP A 32 67.983 -8.643 8.100 1.00 0.00 O ATOM 514 OD2 ASP A 32 67.417 -10.586 8.838 1.00 0.00 O ATOM 0 H ASP A 32 67.354 -7.985 5.405 1.00 0.00 H new ATOM 0 HA ASP A 32 69.097 -10.171 5.971 1.00 0.00 H new ATOM 0 HB2 ASP A 32 66.151 -9.546 6.291 1.00 0.00 H new ATOM 0 HB3 ASP A 32 66.705 -11.188 6.550 1.00 0.00 H new ATOM 519 N LYS A 33 66.956 -10.495 3.468 1.00 0.00 N ATOM 520 CA LYS A 33 66.669 -11.295 2.281 1.00 0.00 C ATOM 521 C LYS A 33 67.922 -11.343 1.419 1.00 0.00 C ATOM 522 O LYS A 33 68.412 -12.412 1.053 1.00 0.00 O ATOM 523 CB LYS A 33 65.519 -10.662 1.484 1.00 0.00 C ATOM 524 CG LYS A 33 64.336 -10.341 2.412 1.00 0.00 C ATOM 525 CD LYS A 33 63.477 -11.595 2.627 1.00 0.00 C ATOM 526 CE LYS A 33 62.106 -11.200 3.189 1.00 0.00 C ATOM 527 NZ LYS A 33 62.220 -10.949 4.655 1.00 0.00 N ATOM 0 H LYS A 33 66.377 -9.662 3.572 1.00 0.00 H new ATOM 0 HA LYS A 33 66.375 -12.302 2.576 1.00 0.00 H new ATOM 0 HB2 LYS A 33 65.865 -9.750 0.997 1.00 0.00 H new ATOM 0 HB3 LYS A 33 65.197 -11.342 0.696 1.00 0.00 H new ATOM 0 HG2 LYS A 33 64.705 -9.975 3.370 1.00 0.00 H new ATOM 0 HG3 LYS A 33 63.730 -9.546 1.979 1.00 0.00 H new ATOM 0 HD2 LYS A 33 63.353 -12.127 1.684 1.00 0.00 H new ATOM 0 HD3 LYS A 33 63.979 -12.276 3.314 1.00 0.00 H new ATOM 0 HE2 LYS A 33 61.738 -10.307 2.684 1.00 0.00 H new ATOM 0 HE3 LYS A 33 61.382 -11.993 3.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 61.290 -10.681 5.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 62.553 -11.812 5.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 62.898 -10.178 4.824 1.00 0.00 H new ATOM 541 N GLU A 34 68.443 -10.158 1.141 1.00 0.00 N ATOM 542 CA GLU A 34 69.664 -9.989 0.366 1.00 0.00 C ATOM 543 C GLU A 34 70.377 -8.765 0.916 1.00 0.00 C ATOM 544 O GLU A 34 69.730 -7.896 1.494 1.00 0.00 O ATOM 545 CB GLU A 34 69.342 -9.788 -1.120 1.00 0.00 C ATOM 546 CG GLU A 34 69.184 -11.149 -1.805 1.00 0.00 C ATOM 547 CD GLU A 34 68.487 -10.977 -3.150 1.00 0.00 C ATOM 548 OE1 GLU A 34 68.144 -9.854 -3.478 1.00 0.00 O ATOM 549 OE2 GLU A 34 68.307 -11.972 -3.834 1.00 0.00 O ATOM 0 H GLU A 34 68.027 -9.279 1.449 1.00 0.00 H new ATOM 0 HA GLU A 34 70.291 -10.877 0.447 1.00 0.00 H new ATOM 0 HB2 GLU A 34 68.426 -9.208 -1.228 1.00 0.00 H new ATOM 0 HB3 GLU A 34 70.138 -9.219 -1.600 1.00 0.00 H new ATOM 0 HG2 GLU A 34 70.162 -11.609 -1.949 1.00 0.00 H new ATOM 0 HG3 GLU A 34 68.606 -11.820 -1.170 1.00 0.00 H new ATOM 556 N GLY A 35 71.691 -8.685 0.771 1.00 0.00 N ATOM 557 CA GLY A 35 72.394 -7.534 1.320 1.00 0.00 C ATOM 558 C GLY A 35 72.211 -6.315 0.449 1.00 0.00 C ATOM 559 O GLY A 35 72.674 -6.259 -0.690 1.00 0.00 O ATOM 0 H GLY A 35 72.275 -9.374 0.297 1.00 0.00 H new ATOM 0 HA2 GLY A 35 72.026 -7.325 2.324 1.00 0.00 H new ATOM 0 HA3 GLY A 35 73.456 -7.763 1.411 1.00 0.00 H new ATOM 563 N ILE A 36 71.573 -5.319 1.033 1.00 0.00 N ATOM 564 CA ILE A 36 71.361 -4.057 0.365 1.00 0.00 C ATOM 565 C ILE A 36 71.333 -2.966 1.422 1.00 0.00 C ATOM 566 O ILE A 36 70.466 -2.955 2.293 1.00 0.00 O ATOM 567 CB ILE A 36 70.039 -4.069 -0.412 1.00 0.00 C ATOM 568 CG1 ILE A 36 68.874 -4.428 0.529 1.00 0.00 C ATOM 569 CG2 ILE A 36 70.125 -5.110 -1.533 1.00 0.00 C ATOM 570 CD1 ILE A 36 68.242 -3.164 1.138 1.00 0.00 C ATOM 0 H ILE A 36 71.191 -5.364 1.978 1.00 0.00 H new ATOM 0 HA ILE A 36 72.165 -3.877 -0.349 1.00 0.00 H new ATOM 0 HB ILE A 36 69.862 -3.080 -0.834 1.00 0.00 H new ATOM 0 HG12 ILE A 36 68.117 -4.987 -0.021 1.00 0.00 H new ATOM 0 HG13 ILE A 36 69.234 -5.078 1.326 1.00 0.00 H new ATOM 0 HG21 ILE A 36 69.188 -5.124 -2.090 1.00 0.00 H new ATOM 0 HG22 ILE A 36 70.943 -4.853 -2.206 1.00 0.00 H new ATOM 0 HG23 ILE A 36 70.305 -6.095 -1.102 1.00 0.00 H new ATOM 0 HD11 ILE A 36 67.422 -3.449 1.798 1.00 0.00 H new ATOM 0 HD12 ILE A 36 68.995 -2.620 1.708 1.00 0.00 H new ATOM 0 HD13 ILE A 36 67.861 -2.527 0.340 1.00 0.00 H new ATOM 582 N PRO A 37 72.251 -2.057 1.370 1.00 0.00 N ATOM 583 CA PRO A 37 72.310 -0.948 2.348 1.00 0.00 C ATOM 584 C PRO A 37 71.201 0.088 2.105 1.00 0.00 C ATOM 585 O PRO A 37 71.015 0.544 0.976 1.00 0.00 O ATOM 586 CB PRO A 37 73.707 -0.342 2.152 1.00 0.00 C ATOM 587 CG PRO A 37 74.391 -1.123 1.071 1.00 0.00 C ATOM 588 CD PRO A 37 73.337 -1.992 0.395 1.00 0.00 C ATOM 0 HA PRO A 37 72.150 -1.293 3.370 1.00 0.00 H new ATOM 0 HB2 PRO A 37 73.633 0.710 1.876 1.00 0.00 H new ATOM 0 HB3 PRO A 37 74.279 -0.389 3.079 1.00 0.00 H new ATOM 0 HG2 PRO A 37 74.855 -0.452 0.348 1.00 0.00 H new ATOM 0 HG3 PRO A 37 75.186 -1.740 1.489 1.00 0.00 H new ATOM 0 HD2 PRO A 37 73.003 -1.554 -0.546 1.00 0.00 H new ATOM 0 HD3 PRO A 37 73.726 -2.984 0.165 1.00 0.00 H new ATOM 596 N PRO A 38 70.473 0.475 3.128 1.00 0.00 N ATOM 597 CA PRO A 38 69.385 1.483 2.984 1.00 0.00 C ATOM 598 C PRO A 38 69.912 2.821 2.480 1.00 0.00 C ATOM 599 O PRO A 38 69.327 3.441 1.591 1.00 0.00 O ATOM 600 CB PRO A 38 68.795 1.655 4.386 1.00 0.00 C ATOM 601 CG PRO A 38 69.539 0.737 5.302 1.00 0.00 C ATOM 602 CD PRO A 38 70.614 -0.005 4.504 1.00 0.00 C ATOM 0 HA PRO A 38 68.647 1.147 2.255 1.00 0.00 H new ATOM 0 HB2 PRO A 38 68.891 2.689 4.718 1.00 0.00 H new ATOM 0 HB3 PRO A 38 67.731 1.418 4.386 1.00 0.00 H new ATOM 0 HG2 PRO A 38 69.997 1.304 6.112 1.00 0.00 H new ATOM 0 HG3 PRO A 38 68.852 0.025 5.760 1.00 0.00 H new ATOM 0 HD2 PRO A 38 71.610 0.206 4.894 1.00 0.00 H new ATOM 0 HD3 PRO A 38 70.472 -1.084 4.561 1.00 0.00 H new ATOM 610 N ASP A 39 71.015 3.259 3.067 1.00 0.00 N ATOM 611 CA ASP A 39 71.621 4.527 2.692 1.00 0.00 C ATOM 612 C ASP A 39 72.025 4.515 1.223 1.00 0.00 C ATOM 613 O ASP A 39 72.284 5.564 0.633 1.00 0.00 O ATOM 614 CB ASP A 39 72.855 4.779 3.565 1.00 0.00 C ATOM 615 CG ASP A 39 73.555 3.457 3.868 1.00 0.00 C ATOM 616 OD1 ASP A 39 73.002 2.676 4.625 1.00 0.00 O ATOM 617 OD2 ASP A 39 74.633 3.244 3.337 1.00 0.00 O ATOM 0 H ASP A 39 71.508 2.756 3.804 1.00 0.00 H new ATOM 0 HA ASP A 39 70.893 5.324 2.844 1.00 0.00 H new ATOM 0 HB2 ASP A 39 73.541 5.455 3.054 1.00 0.00 H new ATOM 0 HB3 ASP A 39 72.560 5.266 4.495 1.00 0.00 H new ATOM 622 N GLN A 40 72.095 3.319 0.642 1.00 0.00 N ATOM 623 CA GLN A 40 72.490 3.182 -0.756 1.00 0.00 C ATOM 624 C GLN A 40 71.330 2.727 -1.641 1.00 0.00 C ATOM 625 O GLN A 40 71.420 2.822 -2.865 1.00 0.00 O ATOM 626 CB GLN A 40 73.633 2.173 -0.869 1.00 0.00 C ATOM 627 CG GLN A 40 74.842 2.679 -0.080 1.00 0.00 C ATOM 628 CD GLN A 40 75.553 3.779 -0.862 1.00 0.00 C ATOM 629 OE1 GLN A 40 75.026 4.883 -1.001 1.00 0.00 O ATOM 630 NE2 GLN A 40 76.725 3.542 -1.383 1.00 0.00 N ATOM 0 H GLN A 40 71.885 2.439 1.113 1.00 0.00 H new ATOM 0 HA GLN A 40 72.811 4.164 -1.103 1.00 0.00 H new ATOM 0 HB2 GLN A 40 73.315 1.203 -0.485 1.00 0.00 H new ATOM 0 HB3 GLN A 40 73.903 2.029 -1.915 1.00 0.00 H new ATOM 0 HG2 GLN A 40 74.520 3.060 0.889 1.00 0.00 H new ATOM 0 HG3 GLN A 40 75.530 1.856 0.114 1.00 0.00 H new ATOM 0 HE21 GLN A 40 77.159 2.626 -1.266 1.00 0.00 H new ATOM 0 HE22 GLN A 40 77.207 4.272 -1.907 1.00 0.00 H new ATOM 639 N GLN A 41 70.252 2.213 -1.042 1.00 0.00 N ATOM 640 CA GLN A 41 69.123 1.738 -1.845 1.00 0.00 C ATOM 641 C GLN A 41 67.873 2.604 -1.692 1.00 0.00 C ATOM 642 O GLN A 41 67.514 3.025 -0.593 1.00 0.00 O ATOM 643 CB GLN A 41 68.777 0.292 -1.500 1.00 0.00 C ATOM 644 CG GLN A 41 67.863 -0.267 -2.597 1.00 0.00 C ATOM 645 CD GLN A 41 67.443 -1.693 -2.267 1.00 0.00 C ATOM 646 OE1 GLN A 41 67.786 -2.210 -1.209 1.00 0.00 O ATOM 647 NE2 GLN A 41 66.714 -2.363 -3.117 1.00 0.00 N ATOM 0 H GLN A 41 70.138 2.117 -0.033 1.00 0.00 H new ATOM 0 HA GLN A 41 69.448 1.805 -2.883 1.00 0.00 H new ATOM 0 HB2 GLN A 41 69.685 -0.306 -1.423 1.00 0.00 H new ATOM 0 HB3 GLN A 41 68.279 0.243 -0.531 1.00 0.00 H new ATOM 0 HG2 GLN A 41 66.980 0.364 -2.699 1.00 0.00 H new ATOM 0 HG3 GLN A 41 68.382 -0.247 -3.556 1.00 0.00 H new ATOM 0 HE21 GLN A 41 66.430 -1.931 -3.996 1.00 0.00 H new ATOM 0 HE22 GLN A 41 66.428 -3.318 -2.902 1.00 0.00 H new ATOM 656 N ARG A 42 67.216 2.844 -2.829 1.00 0.00 N ATOM 657 CA ARG A 42 65.990 3.640 -2.885 1.00 0.00 C ATOM 658 C ARG A 42 64.903 2.864 -3.635 1.00 0.00 C ATOM 659 O ARG A 42 65.202 2.134 -4.580 1.00 0.00 O ATOM 660 CB ARG A 42 66.255 4.970 -3.597 1.00 0.00 C ATOM 661 CG ARG A 42 67.584 5.560 -3.116 1.00 0.00 C ATOM 662 CD ARG A 42 67.903 6.823 -3.921 1.00 0.00 C ATOM 663 NE ARG A 42 66.923 7.869 -3.635 1.00 0.00 N ATOM 664 CZ ARG A 42 66.151 8.376 -4.594 1.00 0.00 C ATOM 665 NH1 ARG A 42 65.065 7.752 -4.958 1.00 0.00 N ATOM 666 NH2 ARG A 42 66.483 9.498 -5.175 1.00 0.00 N ATOM 0 H ARG A 42 67.520 2.491 -3.737 1.00 0.00 H new ATOM 0 HA ARG A 42 65.655 3.843 -1.868 1.00 0.00 H new ATOM 0 HB2 ARG A 42 66.284 4.816 -4.676 1.00 0.00 H new ATOM 0 HB3 ARG A 42 65.443 5.669 -3.396 1.00 0.00 H new ATOM 0 HG2 ARG A 42 67.525 5.798 -2.054 1.00 0.00 H new ATOM 0 HG3 ARG A 42 68.383 4.828 -3.235 1.00 0.00 H new ATOM 0 HD2 ARG A 42 68.904 7.176 -3.674 1.00 0.00 H new ATOM 0 HD3 ARG A 42 67.899 6.594 -4.987 1.00 0.00 H new ATOM 0 HE ARG A 42 66.829 8.218 -2.681 1.00 0.00 H new ATOM 0 HH11 ARG A 42 64.806 6.874 -4.508 1.00 0.00 H new ATOM 0 HH12 ARG A 42 64.475 8.142 -5.693 1.00 0.00 H new ATOM 0 HH21 ARG A 42 67.334 9.986 -4.894 1.00 0.00 H new ATOM 0 HH22 ARG A 42 65.892 9.886 -5.910 1.00 0.00 H new ATOM 680 N LEU A 43 63.644 3.014 -3.214 1.00 0.00 N ATOM 681 CA LEU A 43 62.538 2.303 -3.867 1.00 0.00 C ATOM 682 C LEU A 43 61.566 3.287 -4.516 1.00 0.00 C ATOM 683 O LEU A 43 61.705 4.502 -4.376 1.00 0.00 O ATOM 684 CB LEU A 43 61.766 1.457 -2.847 1.00 0.00 C ATOM 685 CG LEU A 43 62.733 0.643 -1.989 1.00 0.00 C ATOM 686 CD1 LEU A 43 61.963 0.042 -0.810 1.00 0.00 C ATOM 687 CD2 LEU A 43 63.349 -0.479 -2.830 1.00 0.00 C ATOM 0 H LEU A 43 63.366 3.612 -2.436 1.00 0.00 H new ATOM 0 HA LEU A 43 62.970 1.658 -4.633 1.00 0.00 H new ATOM 0 HB2 LEU A 43 61.162 2.104 -2.211 1.00 0.00 H new ATOM 0 HB3 LEU A 43 61.079 0.788 -3.365 1.00 0.00 H new ATOM 0 HG LEU A 43 63.531 1.287 -1.619 1.00 0.00 H new ATOM 0 HD11 LEU A 43 62.644 -0.542 -0.190 1.00 0.00 H new ATOM 0 HD12 LEU A 43 61.527 0.843 -0.214 1.00 0.00 H new ATOM 0 HD13 LEU A 43 61.170 -0.604 -1.185 1.00 0.00 H new ATOM 0 HD21 LEU A 43 64.038 -1.058 -2.215 1.00 0.00 H new ATOM 0 HD22 LEU A 43 62.559 -1.131 -3.201 1.00 0.00 H new ATOM 0 HD23 LEU A 43 63.889 -0.047 -3.673 1.00 0.00 H new ATOM 699 N ILE A 44 60.584 2.744 -5.236 1.00 0.00 N ATOM 700 CA ILE A 44 59.587 3.569 -5.918 1.00 0.00 C ATOM 701 C ILE A 44 58.181 3.009 -5.690 1.00 0.00 C ATOM 702 O ILE A 44 57.971 1.797 -5.737 1.00 0.00 O ATOM 703 CB ILE A 44 59.892 3.606 -7.420 1.00 0.00 C ATOM 704 CG1 ILE A 44 59.072 4.716 -8.087 1.00 0.00 C ATOM 705 CG2 ILE A 44 59.530 2.259 -8.050 1.00 0.00 C ATOM 706 CD1 ILE A 44 59.517 4.891 -9.544 1.00 0.00 C ATOM 0 H ILE A 44 60.458 1.740 -5.362 1.00 0.00 H new ATOM 0 HA ILE A 44 59.630 4.579 -5.511 1.00 0.00 H new ATOM 0 HB ILE A 44 60.954 3.803 -7.565 1.00 0.00 H new ATOM 0 HG12 ILE A 44 58.011 4.469 -8.049 1.00 0.00 H new ATOM 0 HG13 ILE A 44 59.201 5.652 -7.543 1.00 0.00 H new ATOM 0 HG21 ILE A 44 59.747 2.287 -9.118 1.00 0.00 H new ATOM 0 HG22 ILE A 44 60.116 1.469 -7.581 1.00 0.00 H new ATOM 0 HG23 ILE A 44 58.469 2.061 -7.901 1.00 0.00 H new ATOM 0 HD11 ILE A 44 58.930 5.681 -10.011 1.00 0.00 H new ATOM 0 HD12 ILE A 44 60.573 5.159 -9.572 1.00 0.00 H new ATOM 0 HD13 ILE A 44 59.365 3.957 -10.086 1.00 0.00 H new ATOM 718 N PHE A 45 57.223 3.902 -5.444 1.00 0.00 N ATOM 719 CA PHE A 45 55.837 3.494 -5.209 1.00 0.00 C ATOM 720 C PHE A 45 54.886 4.253 -6.133 1.00 0.00 C ATOM 721 O PHE A 45 54.773 5.477 -6.056 1.00 0.00 O ATOM 722 CB PHE A 45 55.457 3.761 -3.746 1.00 0.00 C ATOM 723 CG PHE A 45 53.960 3.948 -3.630 1.00 0.00 C ATOM 724 CD1 PHE A 45 53.096 2.892 -3.949 1.00 0.00 C ATOM 725 CD2 PHE A 45 53.437 5.176 -3.208 1.00 0.00 C ATOM 726 CE1 PHE A 45 51.710 3.066 -3.846 1.00 0.00 C ATOM 727 CE2 PHE A 45 52.051 5.350 -3.106 1.00 0.00 C ATOM 728 CZ PHE A 45 51.188 4.295 -3.424 1.00 0.00 C ATOM 0 H PHE A 45 57.379 4.909 -5.402 1.00 0.00 H new ATOM 0 HA PHE A 45 55.751 2.428 -5.420 1.00 0.00 H new ATOM 0 HB2 PHE A 45 55.778 2.929 -3.120 1.00 0.00 H new ATOM 0 HB3 PHE A 45 55.973 4.650 -3.383 1.00 0.00 H new ATOM 0 HD1 PHE A 45 53.499 1.944 -4.274 1.00 0.00 H new ATOM 0 HD2 PHE A 45 54.103 5.990 -2.961 1.00 0.00 H new ATOM 0 HE1 PHE A 45 51.044 2.252 -4.092 1.00 0.00 H new ATOM 0 HE2 PHE A 45 51.648 6.298 -2.782 1.00 0.00 H new ATOM 0 HZ PHE A 45 50.119 4.429 -3.344 1.00 0.00 H new ATOM 738 N ALA A 46 54.197 3.514 -6.998 1.00 0.00 N ATOM 739 CA ALA A 46 53.248 4.120 -7.926 1.00 0.00 C ATOM 740 C ALA A 46 53.867 5.329 -8.620 1.00 0.00 C ATOM 741 O ALA A 46 53.232 6.376 -8.745 1.00 0.00 O ATOM 742 CB ALA A 46 51.987 4.552 -7.176 1.00 0.00 C ATOM 0 H ALA A 46 54.277 2.500 -7.076 1.00 0.00 H new ATOM 0 HA ALA A 46 52.987 3.378 -8.681 1.00 0.00 H new ATOM 0 HB1 ALA A 46 51.284 5.003 -7.876 1.00 0.00 H new ATOM 0 HB2 ALA A 46 51.526 3.682 -6.709 1.00 0.00 H new ATOM 0 HB3 ALA A 46 52.251 5.279 -6.408 1.00 0.00 H new ATOM 748 N GLY A 47 55.108 5.177 -9.070 1.00 0.00 N ATOM 749 CA GLY A 47 55.801 6.265 -9.749 1.00 0.00 C ATOM 750 C GLY A 47 56.472 7.191 -8.741 1.00 0.00 C ATOM 751 O GLY A 47 57.396 7.929 -9.082 1.00 0.00 O ATOM 0 H GLY A 47 55.651 4.318 -8.978 1.00 0.00 H new ATOM 0 HA2 GLY A 47 56.549 5.858 -10.429 1.00 0.00 H new ATOM 0 HA3 GLY A 47 55.093 6.831 -10.355 1.00 0.00 H new ATOM 755 N LYS A 48 56.003 7.143 -7.497 1.00 0.00 N ATOM 756 CA LYS A 48 56.568 7.981 -6.445 1.00 0.00 C ATOM 757 C LYS A 48 57.879 7.386 -5.941 1.00 0.00 C ATOM 758 O LYS A 48 57.975 6.182 -5.721 1.00 0.00 O ATOM 759 CB LYS A 48 55.581 8.110 -5.283 1.00 0.00 C ATOM 760 CG LYS A 48 55.955 9.330 -4.436 1.00 0.00 C ATOM 761 CD LYS A 48 54.942 9.507 -3.299 1.00 0.00 C ATOM 762 CE LYS A 48 53.667 10.173 -3.830 1.00 0.00 C ATOM 763 NZ LYS A 48 54.024 11.381 -4.628 1.00 0.00 N ATOM 0 H LYS A 48 55.240 6.538 -7.195 1.00 0.00 H new ATOM 0 HA LYS A 48 56.762 8.970 -6.859 1.00 0.00 H new ATOM 0 HB2 LYS A 48 54.565 8.214 -5.663 1.00 0.00 H new ATOM 0 HB3 LYS A 48 55.601 7.208 -4.671 1.00 0.00 H new ATOM 0 HG2 LYS A 48 56.957 9.205 -4.026 1.00 0.00 H new ATOM 0 HG3 LYS A 48 55.975 10.224 -5.059 1.00 0.00 H new ATOM 0 HD2 LYS A 48 54.701 8.538 -2.862 1.00 0.00 H new ATOM 0 HD3 LYS A 48 55.376 10.115 -2.506 1.00 0.00 H new ATOM 0 HE2 LYS A 48 53.108 9.470 -4.448 1.00 0.00 H new ATOM 0 HE3 LYS A 48 53.019 10.453 -3.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 53.237 12.061 -4.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 54.877 11.821 -4.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 54.207 11.104 -5.614 1.00 0.00 H new ATOM 777 N GLN A 49 58.887 8.235 -5.772 1.00 0.00 N ATOM 778 CA GLN A 49 60.193 7.775 -5.308 1.00 0.00 C ATOM 779 C GLN A 49 60.243 7.686 -3.786 1.00 0.00 C ATOM 780 O GLN A 49 60.099 8.693 -3.092 1.00 0.00 O ATOM 781 CB GLN A 49 61.285 8.736 -5.788 1.00 0.00 C ATOM 782 CG GLN A 49 61.022 9.140 -7.240 1.00 0.00 C ATOM 783 CD GLN A 49 61.952 10.280 -7.637 1.00 0.00 C ATOM 784 OE1 GLN A 49 62.900 10.589 -6.915 1.00 0.00 O ATOM 785 NE2 GLN A 49 61.736 10.926 -8.748 1.00 0.00 N ATOM 0 H GLN A 49 58.827 9.238 -5.947 1.00 0.00 H new ATOM 0 HA GLN A 49 60.360 6.780 -5.721 1.00 0.00 H new ATOM 0 HB2 GLN A 49 61.307 9.622 -5.153 1.00 0.00 H new ATOM 0 HB3 GLN A 49 62.262 8.260 -5.705 1.00 0.00 H new ATOM 0 HG2 GLN A 49 61.178 8.286 -7.898 1.00 0.00 H new ATOM 0 HG3 GLN A 49 59.983 9.448 -7.359 1.00 0.00 H new ATOM 0 HE21 GLN A 49 60.950 10.667 -9.344 1.00 0.00 H new ATOM 0 HE22 GLN A 49 62.353 11.690 -9.022 1.00 0.00 H new ATOM 794 N LEU A 50 60.474 6.480 -3.270 1.00 0.00 N ATOM 795 CA LEU A 50 60.569 6.292 -1.828 1.00 0.00 C ATOM 796 C LEU A 50 61.976 6.693 -1.369 1.00 0.00 C ATOM 797 O LEU A 50 62.936 6.594 -2.133 1.00 0.00 O ATOM 798 CB LEU A 50 60.222 4.841 -1.466 1.00 0.00 C ATOM 799 CG LEU A 50 58.704 4.734 -1.239 1.00 0.00 C ATOM 800 CD1 LEU A 50 58.296 3.265 -1.101 1.00 0.00 C ATOM 801 CD2 LEU A 50 58.304 5.504 0.024 1.00 0.00 C ATOM 0 H LEU A 50 60.597 5.631 -3.822 1.00 0.00 H new ATOM 0 HA LEU A 50 59.852 6.927 -1.308 1.00 0.00 H new ATOM 0 HB2 LEU A 50 60.532 4.168 -2.266 1.00 0.00 H new ATOM 0 HB3 LEU A 50 60.760 4.537 -0.568 1.00 0.00 H new ATOM 0 HG LEU A 50 58.190 5.168 -2.097 1.00 0.00 H new ATOM 0 HD11 LEU A 50 57.220 3.200 -0.941 1.00 0.00 H new ATOM 0 HD12 LEU A 50 58.560 2.727 -2.011 1.00 0.00 H new ATOM 0 HD13 LEU A 50 58.817 2.821 -0.253 1.00 0.00 H new ATOM 0 HD21 LEU A 50 57.228 5.421 0.175 1.00 0.00 H new ATOM 0 HD22 LEU A 50 58.824 5.085 0.885 1.00 0.00 H new ATOM 0 HD23 LEU A 50 58.575 6.554 -0.089 1.00 0.00 H new ATOM 813 N GLU A 51 62.070 7.246 -0.159 1.00 0.00 N ATOM 814 CA GLU A 51 63.343 7.780 0.348 1.00 0.00 C ATOM 815 C GLU A 51 64.175 6.856 1.258 1.00 0.00 C ATOM 816 O GLU A 51 63.887 5.683 1.475 1.00 0.00 O ATOM 817 CB GLU A 51 63.055 9.075 1.114 1.00 0.00 C ATOM 818 CG GLU A 51 62.221 10.026 0.238 1.00 0.00 C ATOM 819 CD GLU A 51 62.782 11.444 0.314 1.00 0.00 C ATOM 820 OE1 GLU A 51 63.956 11.612 0.024 1.00 0.00 O ATOM 821 OE2 GLU A 51 62.030 12.340 0.660 1.00 0.00 O ATOM 0 H GLU A 51 61.287 7.337 0.488 1.00 0.00 H new ATOM 0 HA GLU A 51 63.956 7.920 -0.542 1.00 0.00 H new ATOM 0 HB2 GLU A 51 62.518 8.851 2.036 1.00 0.00 H new ATOM 0 HB3 GLU A 51 63.991 9.555 1.399 1.00 0.00 H new ATOM 0 HG2 GLU A 51 62.228 9.680 -0.795 1.00 0.00 H new ATOM 0 HG3 GLU A 51 61.183 10.020 0.569 1.00 0.00 H new ATOM 828 N ASP A 52 65.226 7.495 1.766 1.00 0.00 N ATOM 829 CA ASP A 52 66.236 6.950 2.685 1.00 0.00 C ATOM 830 C ASP A 52 65.662 6.344 3.960 1.00 0.00 C ATOM 831 O ASP A 52 66.412 6.085 4.902 1.00 0.00 O ATOM 832 CB ASP A 52 67.222 8.047 3.076 1.00 0.00 C ATOM 833 CG ASP A 52 66.466 9.290 3.534 1.00 0.00 C ATOM 834 OD1 ASP A 52 65.751 9.195 4.517 1.00 0.00 O ATOM 835 OD2 ASP A 52 66.617 10.321 2.897 1.00 0.00 O ATOM 0 H ASP A 52 65.412 8.471 1.535 1.00 0.00 H new ATOM 0 HA ASP A 52 66.723 6.142 2.139 1.00 0.00 H new ATOM 0 HB2 ASP A 52 67.874 7.693 3.875 1.00 0.00 H new ATOM 0 HB3 ASP A 52 67.861 8.292 2.228 1.00 0.00 H new ATOM 840 N GLY A 53 64.353 6.209 4.049 1.00 0.00 N ATOM 841 CA GLY A 53 63.736 5.744 5.290 1.00 0.00 C ATOM 842 C GLY A 53 62.743 6.750 5.833 1.00 0.00 C ATOM 843 O GLY A 53 62.590 6.929 7.041 1.00 0.00 O ATOM 0 H GLY A 53 63.699 6.410 3.293 1.00 0.00 H new ATOM 0 HA2 GLY A 53 63.231 4.794 5.112 1.00 0.00 H new ATOM 0 HA3 GLY A 53 64.510 5.559 6.034 1.00 0.00 H new ATOM 847 N ARG A 54 61.957 7.282 4.895 1.00 0.00 N ATOM 848 CA ARG A 54 60.837 8.134 5.234 1.00 0.00 C ATOM 849 C ARG A 54 59.745 7.135 5.549 1.00 0.00 C ATOM 850 O ARG A 54 59.912 5.958 5.224 1.00 0.00 O ATOM 851 CB ARG A 54 60.406 9.005 4.042 1.00 0.00 C ATOM 852 CG ARG A 54 61.316 10.240 3.935 1.00 0.00 C ATOM 853 CD ARG A 54 60.831 11.340 4.888 1.00 0.00 C ATOM 854 NE ARG A 54 61.460 12.616 4.553 1.00 0.00 N ATOM 855 CZ ARG A 54 62.690 12.911 4.964 1.00 0.00 C ATOM 856 NH1 ARG A 54 63.698 12.168 4.594 1.00 0.00 N ATOM 857 NH2 ARG A 54 62.890 13.948 5.731 1.00 0.00 N ATOM 0 H ARG A 54 62.084 7.132 3.894 1.00 0.00 H new ATOM 0 HA ARG A 54 61.068 8.825 6.045 1.00 0.00 H new ATOM 0 HB2 ARG A 54 60.457 8.425 3.120 1.00 0.00 H new ATOM 0 HB3 ARG A 54 59.369 9.317 4.166 1.00 0.00 H new ATOM 0 HG2 ARG A 54 62.343 9.966 4.177 1.00 0.00 H new ATOM 0 HG3 ARG A 54 61.318 10.611 2.910 1.00 0.00 H new ATOM 0 HD2 ARG A 54 59.747 11.434 4.824 1.00 0.00 H new ATOM 0 HD3 ARG A 54 61.068 11.069 5.917 1.00 0.00 H new ATOM 0 HE ARG A 54 60.945 13.295 3.992 1.00 0.00 H new ATOM 0 HH11 ARG A 54 63.542 11.361 3.990 1.00 0.00 H new ATOM 0 HH12 ARG A 54 64.641 12.394 4.909 1.00 0.00 H new ATOM 0 HH21 ARG A 54 62.103 14.532 6.015 1.00 0.00 H new ATOM 0 HH22 ARG A 54 63.833 14.175 6.047 1.00 0.00 H new ATOM 871 N THR A 55 58.648 7.516 6.171 1.00 0.00 N ATOM 872 CA THR A 55 57.659 6.489 6.451 1.00 0.00 C ATOM 873 C THR A 55 56.706 6.311 5.278 1.00 0.00 C ATOM 874 O THR A 55 56.302 7.274 4.628 1.00 0.00 O ATOM 875 CB THR A 55 56.876 6.883 7.689 1.00 0.00 C ATOM 876 OG1 THR A 55 57.754 6.928 8.805 1.00 0.00 O ATOM 877 CG2 THR A 55 55.770 5.871 7.955 1.00 0.00 C ATOM 0 H THR A 55 58.423 8.463 6.476 1.00 0.00 H new ATOM 0 HA THR A 55 58.174 5.542 6.615 1.00 0.00 H new ATOM 0 HB THR A 55 56.428 7.864 7.531 1.00 0.00 H new ATOM 0 HG1 THR A 55 57.251 7.184 9.606 1.00 0.00 H new ATOM 0 HG21 THR A 55 55.215 6.164 8.846 1.00 0.00 H new ATOM 0 HG22 THR A 55 55.094 5.838 7.101 1.00 0.00 H new ATOM 0 HG23 THR A 55 56.208 4.885 8.109 1.00 0.00 H new ATOM 885 N LEU A 56 56.338 5.059 5.040 1.00 0.00 N ATOM 886 CA LEU A 56 55.411 4.709 3.975 1.00 0.00 C ATOM 887 C LEU A 56 53.959 5.021 4.340 1.00 0.00 C ATOM 888 O LEU A 56 53.157 5.376 3.478 1.00 0.00 O ATOM 889 CB LEU A 56 55.599 3.247 3.583 1.00 0.00 C ATOM 890 CG LEU A 56 56.327 3.178 2.228 1.00 0.00 C ATOM 891 CD1 LEU A 56 57.749 3.691 2.401 1.00 0.00 C ATOM 892 CD2 LEU A 56 56.377 1.734 1.708 1.00 0.00 C ATOM 0 H LEU A 56 56.673 4.260 5.579 1.00 0.00 H new ATOM 0 HA LEU A 56 55.640 5.332 3.110 1.00 0.00 H new ATOM 0 HB2 LEU A 56 56.175 2.724 4.346 1.00 0.00 H new ATOM 0 HB3 LEU A 56 54.632 2.748 3.516 1.00 0.00 H new ATOM 0 HG LEU A 56 55.784 3.791 1.509 1.00 0.00 H new ATOM 0 HD11 LEU A 56 58.271 3.645 1.445 1.00 0.00 H new ATOM 0 HD12 LEU A 56 57.723 4.723 2.751 1.00 0.00 H new ATOM 0 HD13 LEU A 56 58.273 3.073 3.130 1.00 0.00 H new ATOM 0 HD21 LEU A 56 56.896 1.710 0.750 1.00 0.00 H new ATOM 0 HD22 LEU A 56 56.909 1.108 2.424 1.00 0.00 H new ATOM 0 HD23 LEU A 56 55.362 1.358 1.580 1.00 0.00 H new ATOM 904 N SER A 57 53.615 4.885 5.615 1.00 0.00 N ATOM 905 CA SER A 57 52.249 5.159 6.034 1.00 0.00 C ATOM 906 C SER A 57 51.914 6.573 5.648 1.00 0.00 C ATOM 907 O SER A 57 50.797 6.874 5.226 1.00 0.00 O ATOM 908 CB SER A 57 52.084 4.996 7.549 1.00 0.00 C ATOM 909 OG SER A 57 52.024 3.612 7.870 1.00 0.00 O ATOM 0 H SER A 57 54.247 4.594 6.360 1.00 0.00 H new ATOM 0 HA SER A 57 51.580 4.449 5.546 1.00 0.00 H new ATOM 0 HB2 SER A 57 52.918 5.466 8.070 1.00 0.00 H new ATOM 0 HB3 SER A 57 51.176 5.498 7.883 1.00 0.00 H new ATOM 0 HG SER A 57 51.920 3.505 8.839 1.00 0.00 H new ATOM 915 N ASP A 58 52.917 7.441 5.754 1.00 0.00 N ATOM 916 CA ASP A 58 52.756 8.832 5.371 1.00 0.00 C ATOM 917 C ASP A 58 52.591 8.892 3.857 1.00 0.00 C ATOM 918 O ASP A 58 52.002 9.827 3.315 1.00 0.00 O ATOM 919 CB ASP A 58 53.988 9.641 5.811 1.00 0.00 C ATOM 920 CG ASP A 58 54.313 10.728 4.787 1.00 0.00 C ATOM 921 OD1 ASP A 58 53.426 11.505 4.475 1.00 0.00 O ATOM 922 OD2 ASP A 58 55.444 10.765 4.331 1.00 0.00 O ATOM 0 H ASP A 58 53.846 7.202 6.102 1.00 0.00 H new ATOM 0 HA ASP A 58 51.879 9.261 5.855 1.00 0.00 H new ATOM 0 HB2 ASP A 58 53.803 10.095 6.785 1.00 0.00 H new ATOM 0 HB3 ASP A 58 54.844 8.976 5.927 1.00 0.00 H new ATOM 927 N TYR A 59 53.107 7.862 3.188 1.00 0.00 N ATOM 928 CA TYR A 59 53.010 7.769 1.738 1.00 0.00 C ATOM 929 C TYR A 59 51.662 7.177 1.356 1.00 0.00 C ATOM 930 O TYR A 59 51.401 6.894 0.187 1.00 0.00 O ATOM 931 CB TYR A 59 54.140 6.890 1.187 1.00 0.00 C ATOM 932 CG TYR A 59 55.273 7.769 0.771 1.00 0.00 C ATOM 933 CD1 TYR A 59 55.750 8.732 1.658 1.00 0.00 C ATOM 934 CD2 TYR A 59 55.829 7.639 -0.502 1.00 0.00 C ATOM 935 CE1 TYR A 59 56.801 9.575 1.273 1.00 0.00 C ATOM 936 CE2 TYR A 59 56.877 8.483 -0.892 1.00 0.00 C ATOM 937 CZ TYR A 59 57.364 9.451 -0.004 1.00 0.00 C ATOM 938 OH TYR A 59 58.395 10.285 -0.387 1.00 0.00 O ATOM 0 H TYR A 59 53.595 7.083 3.629 1.00 0.00 H new ATOM 0 HA TYR A 59 53.102 8.767 1.310 1.00 0.00 H new ATOM 0 HB2 TYR A 59 54.471 6.181 1.946 1.00 0.00 H new ATOM 0 HB3 TYR A 59 53.784 6.306 0.338 1.00 0.00 H new ATOM 0 HD1 TYR A 59 55.311 8.828 2.640 1.00 0.00 H new ATOM 0 HD2 TYR A 59 55.453 6.891 -1.184 1.00 0.00 H new ATOM 0 HE1 TYR A 59 57.177 10.319 1.960 1.00 0.00 H new ATOM 0 HE2 TYR A 59 57.309 8.387 -1.877 1.00 0.00 H new ATOM 0 HH TYR A 59 58.671 10.066 -1.301 1.00 0.00 H new ATOM 948 N ASN A 60 50.810 6.995 2.357 1.00 0.00 N ATOM 949 CA ASN A 60 49.489 6.437 2.126 1.00 0.00 C ATOM 950 C ASN A 60 49.603 5.089 1.420 1.00 0.00 C ATOM 951 O ASN A 60 48.856 4.804 0.483 1.00 0.00 O ATOM 952 CB ASN A 60 48.664 7.408 1.273 1.00 0.00 C ATOM 953 CG ASN A 60 47.184 7.286 1.618 1.00 0.00 C ATOM 954 OD1 ASN A 60 46.439 6.595 0.923 1.00 0.00 O ATOM 955 ND2 ASN A 60 46.710 7.922 2.653 1.00 0.00 N ATOM 0 H ASN A 60 51.011 7.225 3.330 1.00 0.00 H new ATOM 0 HA ASN A 60 48.992 6.288 3.084 1.00 0.00 H new ATOM 0 HB2 ASN A 60 49.001 8.430 1.444 1.00 0.00 H new ATOM 0 HB3 ASN A 60 48.817 7.194 0.215 1.00 0.00 H new ATOM 0 HD21 ASN A 60 45.720 7.847 2.888 1.00 0.00 H new ATOM 0 HD22 ASN A 60 47.329 8.494 3.228 1.00 0.00 H new ATOM 962 N ILE A 61 50.547 4.264 1.871 1.00 0.00 N ATOM 963 CA ILE A 61 50.744 2.954 1.261 1.00 0.00 C ATOM 964 C ILE A 61 49.533 2.061 1.493 1.00 0.00 C ATOM 965 O ILE A 61 48.876 2.104 2.534 1.00 0.00 O ATOM 966 CB ILE A 61 52.017 2.278 1.758 1.00 0.00 C ATOM 967 CG1 ILE A 61 53.237 3.018 1.206 1.00 0.00 C ATOM 968 CG2 ILE A 61 52.058 0.824 1.282 1.00 0.00 C ATOM 969 CD1 ILE A 61 53.182 3.114 -0.325 1.00 0.00 C ATOM 0 H ILE A 61 51.177 4.476 2.644 1.00 0.00 H new ATOM 0 HA ILE A 61 50.858 3.112 0.189 1.00 0.00 H new ATOM 0 HB ILE A 61 52.029 2.303 2.848 1.00 0.00 H new ATOM 0 HG12 ILE A 61 53.283 4.019 1.634 1.00 0.00 H new ATOM 0 HG13 ILE A 61 54.147 2.500 1.508 1.00 0.00 H new ATOM 0 HG21 ILE A 61 52.971 0.349 1.642 1.00 0.00 H new ATOM 0 HG22 ILE A 61 51.192 0.289 1.672 1.00 0.00 H new ATOM 0 HG23 ILE A 61 52.040 0.797 0.192 1.00 0.00 H new ATOM 0 HD11 ILE A 61 54.062 3.645 -0.688 1.00 0.00 H new ATOM 0 HD12 ILE A 61 53.161 2.111 -0.752 1.00 0.00 H new ATOM 0 HD13 ILE A 61 52.284 3.654 -0.624 1.00 0.00 H new ATOM 981 N GLN A 62 49.223 1.315 0.445 1.00 0.00 N ATOM 982 CA GLN A 62 48.060 0.444 0.393 1.00 0.00 C ATOM 983 C GLN A 62 48.369 -1.002 0.793 1.00 0.00 C ATOM 984 O GLN A 62 49.478 -1.344 1.197 1.00 0.00 O ATOM 985 CB GLN A 62 47.516 0.473 -1.044 1.00 0.00 C ATOM 986 CG GLN A 62 46.228 -0.349 -1.159 1.00 0.00 C ATOM 987 CD GLN A 62 45.364 0.193 -2.293 1.00 0.00 C ATOM 988 OE1 GLN A 62 45.868 0.463 -3.384 1.00 0.00 O ATOM 989 NE2 GLN A 62 44.085 0.371 -2.101 1.00 0.00 N ATOM 0 H GLN A 62 49.782 1.297 -0.408 1.00 0.00 H new ATOM 0 HA GLN A 62 47.329 0.812 1.113 1.00 0.00 H new ATOM 0 HB2 GLN A 62 47.322 1.503 -1.343 1.00 0.00 H new ATOM 0 HB3 GLN A 62 48.266 0.078 -1.729 1.00 0.00 H new ATOM 0 HG2 GLN A 62 46.470 -1.396 -1.343 1.00 0.00 H new ATOM 0 HG3 GLN A 62 45.676 -0.310 -0.220 1.00 0.00 H new ATOM 0 HE21 GLN A 62 43.669 0.147 -1.197 1.00 0.00 H new ATOM 0 HE22 GLN A 62 43.502 0.734 -2.855 1.00 0.00 H new ATOM 998 N LYS A 63 47.320 -1.807 0.672 1.00 0.00 N ATOM 999 CA LYS A 63 47.287 -3.237 0.978 1.00 0.00 C ATOM 1000 C LYS A 63 48.529 -4.013 0.528 1.00 0.00 C ATOM 1001 O LYS A 63 48.416 -5.205 0.279 1.00 0.00 O ATOM 1002 CB LYS A 63 46.045 -3.863 0.327 1.00 0.00 C ATOM 1003 CG LYS A 63 45.260 -4.692 1.352 1.00 0.00 C ATOM 1004 CD LYS A 63 46.032 -5.974 1.671 1.00 0.00 C ATOM 1005 CE LYS A 63 45.199 -6.851 2.608 1.00 0.00 C ATOM 1006 NZ LYS A 63 45.114 -6.205 3.948 1.00 0.00 N ATOM 0 H LYS A 63 46.419 -1.463 0.340 1.00 0.00 H new ATOM 0 HA LYS A 63 47.258 -3.311 2.065 1.00 0.00 H new ATOM 0 HB2 LYS A 63 45.407 -3.079 -0.081 1.00 0.00 H new ATOM 0 HB3 LYS A 63 46.345 -4.496 -0.508 1.00 0.00 H new ATOM 0 HG2 LYS A 63 45.105 -4.112 2.262 1.00 0.00 H new ATOM 0 HG3 LYS A 63 44.274 -4.937 0.958 1.00 0.00 H new ATOM 0 HD2 LYS A 63 46.255 -6.515 0.752 1.00 0.00 H new ATOM 0 HD3 LYS A 63 46.987 -5.730 2.137 1.00 0.00 H new ATOM 0 HE2 LYS A 63 44.200 -6.994 2.197 1.00 0.00 H new ATOM 0 HE3 LYS A 63 45.651 -7.839 2.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 44.745 -6.888 4.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 46.061 -5.891 4.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 44.477 -5.384 3.898 1.00 0.00 H new ATOM 1020 N GLU A 64 49.683 -3.352 0.402 1.00 0.00 N ATOM 1021 CA GLU A 64 50.914 -4.017 -0.060 1.00 0.00 C ATOM 1022 C GLU A 64 51.107 -3.953 -1.570 1.00 0.00 C ATOM 1023 O GLU A 64 51.348 -4.953 -2.244 1.00 0.00 O ATOM 1024 CB GLU A 64 50.923 -5.494 0.382 1.00 0.00 C ATOM 1025 CG GLU A 64 50.196 -6.397 -0.638 1.00 0.00 C ATOM 1026 CD GLU A 64 49.467 -7.525 0.086 1.00 0.00 C ATOM 1027 OE1 GLU A 64 50.137 -8.348 0.688 1.00 0.00 O ATOM 1028 OE2 GLU A 64 48.248 -7.549 0.029 1.00 0.00 O ATOM 0 H GLU A 64 49.795 -2.360 0.612 1.00 0.00 H new ATOM 0 HA GLU A 64 51.739 -3.472 0.399 1.00 0.00 H new ATOM 0 HB2 GLU A 64 51.952 -5.833 0.500 1.00 0.00 H new ATOM 0 HB3 GLU A 64 50.444 -5.586 1.357 1.00 0.00 H new ATOM 0 HG2 GLU A 64 49.485 -5.807 -1.216 1.00 0.00 H new ATOM 0 HG3 GLU A 64 50.915 -6.813 -1.344 1.00 0.00 H new ATOM 1035 N SER A 65 51.053 -2.737 -2.076 1.00 0.00 N ATOM 1036 CA SER A 65 51.266 -2.495 -3.487 1.00 0.00 C ATOM 1037 C SER A 65 52.647 -2.999 -3.913 1.00 0.00 C ATOM 1038 O SER A 65 53.570 -3.070 -3.102 1.00 0.00 O ATOM 1039 CB SER A 65 51.190 -1.004 -3.744 1.00 0.00 C ATOM 1040 OG SER A 65 50.243 -0.424 -2.858 1.00 0.00 O ATOM 0 H SER A 65 50.862 -1.898 -1.527 1.00 0.00 H new ATOM 0 HA SER A 65 50.502 -3.023 -4.058 1.00 0.00 H new ATOM 0 HB2 SER A 65 52.169 -0.548 -3.598 1.00 0.00 H new ATOM 0 HB3 SER A 65 50.901 -0.816 -4.778 1.00 0.00 H new ATOM 0 HG SER A 65 50.192 0.541 -3.020 1.00 0.00 H new ATOM 1046 N THR A 66 52.770 -3.364 -5.186 1.00 0.00 N ATOM 1047 CA THR A 66 54.032 -3.882 -5.713 1.00 0.00 C ATOM 1048 C THR A 66 54.962 -2.764 -6.186 1.00 0.00 C ATOM 1049 O THR A 66 54.632 -2.015 -7.105 1.00 0.00 O ATOM 1050 CB THR A 66 53.744 -4.823 -6.884 1.00 0.00 C ATOM 1051 OG1 THR A 66 52.807 -5.810 -6.478 1.00 0.00 O ATOM 1052 CG2 THR A 66 55.041 -5.500 -7.328 1.00 0.00 C ATOM 0 H THR A 66 52.016 -3.312 -5.870 1.00 0.00 H new ATOM 0 HA THR A 66 54.533 -4.414 -4.904 1.00 0.00 H new ATOM 0 HB THR A 66 53.332 -4.252 -7.716 1.00 0.00 H new ATOM 0 HG1 THR A 66 52.621 -6.412 -7.228 1.00 0.00 H new ATOM 0 HG21 THR A 66 54.834 -6.170 -8.162 1.00 0.00 H new ATOM 0 HG22 THR A 66 55.759 -4.742 -7.641 1.00 0.00 H new ATOM 0 HG23 THR A 66 55.456 -6.072 -6.498 1.00 0.00 H new ATOM 1060 N LEU A 67 56.144 -2.680 -5.567 1.00 0.00 N ATOM 1061 CA LEU A 67 57.137 -1.676 -5.949 1.00 0.00 C ATOM 1062 C LEU A 67 58.168 -2.328 -6.867 1.00 0.00 C ATOM 1063 O LEU A 67 58.682 -3.404 -6.558 1.00 0.00 O ATOM 1064 CB LEU A 67 57.847 -1.109 -4.707 1.00 0.00 C ATOM 1065 CG LEU A 67 56.857 -0.321 -3.843 1.00 0.00 C ATOM 1066 CD1 LEU A 67 55.717 -1.234 -3.379 1.00 0.00 C ATOM 1067 CD2 LEU A 67 57.591 0.230 -2.621 1.00 0.00 C ATOM 0 H LEU A 67 56.434 -3.292 -4.804 1.00 0.00 H new ATOM 0 HA LEU A 67 56.634 -0.857 -6.462 1.00 0.00 H new ATOM 0 HB2 LEU A 67 58.281 -1.922 -4.125 1.00 0.00 H new ATOM 0 HB3 LEU A 67 58.669 -0.462 -5.013 1.00 0.00 H new ATOM 0 HG LEU A 67 56.440 0.497 -4.430 1.00 0.00 H new ATOM 0 HD11 LEU A 67 55.020 -0.663 -2.766 1.00 0.00 H new ATOM 0 HD12 LEU A 67 55.193 -1.633 -4.248 1.00 0.00 H new ATOM 0 HD13 LEU A 67 56.126 -2.057 -2.793 1.00 0.00 H new ATOM 0 HD21 LEU A 67 56.893 0.792 -2.001 1.00 0.00 H new ATOM 0 HD22 LEU A 67 58.006 -0.596 -2.043 1.00 0.00 H new ATOM 0 HD23 LEU A 67 58.398 0.887 -2.947 1.00 0.00 H new ATOM 1079 N HIS A 68 58.462 -1.689 -7.997 1.00 0.00 N ATOM 1080 CA HIS A 68 59.428 -2.244 -8.946 1.00 0.00 C ATOM 1081 C HIS A 68 60.599 -1.292 -9.162 1.00 0.00 C ATOM 1082 O HIS A 68 60.416 -0.080 -9.280 1.00 0.00 O ATOM 1083 CB HIS A 68 58.740 -2.538 -10.287 1.00 0.00 C ATOM 1084 CG HIS A 68 58.761 -1.312 -11.161 1.00 0.00 C ATOM 1085 ND1 HIS A 68 59.606 -1.202 -12.255 1.00 0.00 N ATOM 1086 CD2 HIS A 68 58.051 -0.138 -11.116 1.00 0.00 C ATOM 1087 CE1 HIS A 68 59.384 -0.001 -12.819 1.00 0.00 C ATOM 1088 NE2 HIS A 68 58.446 0.689 -12.164 1.00 0.00 N ATOM 0 H HIS A 68 58.052 -0.798 -8.277 1.00 0.00 H new ATOM 0 HA HIS A 68 59.817 -3.172 -8.527 1.00 0.00 H new ATOM 0 HB2 HIS A 68 59.246 -3.362 -10.791 1.00 0.00 H new ATOM 0 HB3 HIS A 68 57.711 -2.853 -10.115 1.00 0.00 H new ATOM 0 HD2 HIS A 68 57.300 0.107 -10.379 1.00 0.00 H new ATOM 0 HE1 HIS A 68 59.901 0.361 -13.695 1.00 0.00 H new ATOM 0 HE2 HIS A 68 58.095 1.621 -12.384 1.00 0.00 H new ATOM 1096 N LEU A 69 61.801 -1.857 -9.221 1.00 0.00 N ATOM 1097 CA LEU A 69 63.007 -1.063 -9.433 1.00 0.00 C ATOM 1098 C LEU A 69 63.738 -1.539 -10.687 1.00 0.00 C ATOM 1099 O LEU A 69 63.961 -2.736 -10.872 1.00 0.00 O ATOM 1100 CB LEU A 69 63.942 -1.157 -8.211 1.00 0.00 C ATOM 1101 CG LEU A 69 63.487 -2.279 -7.270 1.00 0.00 C ATOM 1102 CD1 LEU A 69 63.796 -3.639 -7.899 1.00 0.00 C ATOM 1103 CD2 LEU A 69 64.236 -2.154 -5.943 1.00 0.00 C ATOM 0 H LEU A 69 61.966 -2.859 -9.125 1.00 0.00 H new ATOM 0 HA LEU A 69 62.713 -0.022 -9.566 1.00 0.00 H new ATOM 0 HB2 LEU A 69 64.964 -1.344 -8.541 1.00 0.00 H new ATOM 0 HB3 LEU A 69 63.948 -0.207 -7.677 1.00 0.00 H new ATOM 0 HG LEU A 69 62.414 -2.197 -7.100 1.00 0.00 H new ATOM 0 HD11 LEU A 69 63.471 -4.433 -7.227 1.00 0.00 H new ATOM 0 HD12 LEU A 69 63.269 -3.729 -8.849 1.00 0.00 H new ATOM 0 HD13 LEU A 69 64.869 -3.725 -8.070 1.00 0.00 H new ATOM 0 HD21 LEU A 69 63.917 -2.949 -5.269 1.00 0.00 H new ATOM 0 HD22 LEU A 69 65.308 -2.237 -6.121 1.00 0.00 H new ATOM 0 HD23 LEU A 69 64.017 -1.186 -5.492 1.00 0.00 H new