USER MOD reduce.3.24.130724 H: found=0, std=0, add=439, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 439 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 49 GLN : amide:sc= 0.602 K(o=1.4,f=-1.7) USER MOD Set 1.2: A 52 LYS NZ :NH3+ -137:sc= 0.763 (180deg=0) USER MOD Set 2.1: A 11 MET CE :methyl -119:sc= -18.4! (180deg=-20.1!) USER MOD Set 2.2: A 31 TYR OH : rot 56:sc= -3.28! USER MOD Single : A 1 GLY N :NH3+ 174:sc= 0 (180deg=-0.0183) USER MOD Single : A 3 SER OG : rot 43:sc= 0.994 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.132) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -0.172 X(o=-0.17,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -0.498 X(o=-0.5,f=0) USER MOD Single : A 35 CYS SG : rot 180:sc= 0 USER MOD Single : A 38 MET CE :methyl -110:sc= -1.29 (180deg=-4.16!) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 GLN :FLIP amide:sc= 0 F(o=-0.53,f=0) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.701 -10.980 -13.063 1.00 0.00 N ATOM 2 CA GLY A 1 -7.668 -10.170 -12.271 1.00 0.00 C ATOM 3 C GLY A 1 -6.981 -9.257 -11.275 1.00 0.00 C ATOM 4 O GLY A 1 -7.450 -9.092 -10.149 1.00 0.00 O ATOM 0 H1 GLY A 1 -7.220 -11.659 -13.656 1.00 0.00 H new ATOM 0 H2 GLY A 1 -6.137 -10.351 -13.670 1.00 0.00 H new ATOM 0 H3 GLY A 1 -6.070 -11.496 -12.417 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.276 -9.571 -12.949 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.346 -10.837 -11.739 1.00 0.00 H new ATOM 10 N GLY A 2 -5.867 -8.663 -11.689 1.00 0.00 N ATOM 11 CA GLY A 2 -5.132 -7.770 -10.812 1.00 0.00 C ATOM 12 C GLY A 2 -4.076 -8.493 -10.001 1.00 0.00 C ATOM 13 O GLY A 2 -4.000 -9.722 -10.022 1.00 0.00 O ATOM 0 H GLY A 2 -5.460 -8.784 -12.616 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -4.657 -6.990 -11.408 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -5.829 -7.275 -10.136 1.00 0.00 H new ATOM 17 N SER A 3 -3.258 -7.730 -9.283 1.00 0.00 N ATOM 18 CA SER A 3 -2.200 -8.306 -8.460 1.00 0.00 C ATOM 19 C SER A 3 -1.606 -7.257 -7.526 1.00 0.00 C ATOM 20 O SER A 3 -1.874 -6.063 -7.665 1.00 0.00 O ATOM 21 CB SER A 3 -1.103 -8.899 -9.345 1.00 0.00 C ATOM 22 OG SER A 3 -1.342 -10.271 -9.604 1.00 0.00 O ATOM 0 H SER A 3 -3.307 -6.712 -9.254 1.00 0.00 H new ATOM 0 HA SER A 3 -2.636 -9.100 -7.854 1.00 0.00 H new ATOM 0 HB2 SER A 3 -1.055 -8.351 -10.286 1.00 0.00 H new ATOM 0 HB3 SER A 3 -0.135 -8.781 -8.858 1.00 0.00 H new ATOM 0 HG SER A 3 -2.292 -10.406 -9.803 1.00 0.00 H new ATOM 28 N VAL A 4 -0.795 -7.710 -6.575 1.00 0.00 N ATOM 29 CA VAL A 4 -0.160 -6.811 -5.619 1.00 0.00 C ATOM 30 C VAL A 4 0.853 -5.911 -6.316 1.00 0.00 C ATOM 31 O VAL A 4 1.001 -4.736 -5.978 1.00 0.00 O ATOM 32 CB VAL A 4 0.540 -7.602 -4.492 1.00 0.00 C ATOM 33 CG1 VAL A 4 1.945 -8.029 -4.901 1.00 0.00 C ATOM 34 CG2 VAL A 4 0.574 -6.785 -3.209 1.00 0.00 C ATOM 0 H VAL A 4 -0.562 -8.695 -6.446 1.00 0.00 H new ATOM 0 HA VAL A 4 -0.943 -6.194 -5.179 1.00 0.00 H new ATOM 0 HB VAL A 4 -0.038 -8.508 -4.310 1.00 0.00 H new ATOM 0 HG11 VAL A 4 2.409 -8.583 -4.085 1.00 0.00 H new ATOM 0 HG12 VAL A 4 1.889 -8.664 -5.785 1.00 0.00 H new ATOM 0 HG13 VAL A 4 2.543 -7.146 -5.126 1.00 0.00 H new ATOM 0 HG21 VAL A 4 1.071 -7.358 -2.426 1.00 0.00 H new ATOM 0 HG22 VAL A 4 1.120 -5.858 -3.382 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -0.445 -6.553 -2.898 1.00 0.00 H new ATOM 44 N GLU A 5 1.546 -6.482 -7.291 1.00 0.00 N ATOM 45 CA GLU A 5 2.553 -5.751 -8.051 1.00 0.00 C ATOM 46 C GLU A 5 1.941 -4.523 -8.717 1.00 0.00 C ATOM 47 O GLU A 5 2.567 -3.466 -8.787 1.00 0.00 O ATOM 48 CB GLU A 5 3.185 -6.659 -9.109 1.00 0.00 C ATOM 49 CG GLU A 5 3.483 -8.064 -8.609 1.00 0.00 C ATOM 50 CD GLU A 5 4.415 -8.825 -9.531 1.00 0.00 C ATOM 51 OE1 GLU A 5 5.275 -8.182 -10.169 1.00 0.00 O ATOM 52 OE2 GLU A 5 4.286 -10.065 -9.615 1.00 0.00 O ATOM 0 H GLU A 5 1.429 -7.454 -7.576 1.00 0.00 H new ATOM 0 HA GLU A 5 3.328 -5.421 -7.359 1.00 0.00 H new ATOM 0 HB2 GLU A 5 2.516 -6.722 -9.967 1.00 0.00 H new ATOM 0 HB3 GLU A 5 4.111 -6.204 -9.460 1.00 0.00 H new ATOM 0 HG2 GLU A 5 3.928 -8.005 -7.616 1.00 0.00 H new ATOM 0 HG3 GLU A 5 2.548 -8.615 -8.507 1.00 0.00 H new ATOM 59 N ASP A 6 0.712 -4.670 -9.199 1.00 0.00 N ATOM 60 CA ASP A 6 0.013 -3.571 -9.853 1.00 0.00 C ATOM 61 C ASP A 6 -0.297 -2.463 -8.851 1.00 0.00 C ATOM 62 O ASP A 6 -0.256 -1.279 -9.185 1.00 0.00 O ATOM 63 CB ASP A 6 -1.280 -4.074 -10.501 1.00 0.00 C ATOM 64 CG ASP A 6 -1.331 -3.786 -11.989 1.00 0.00 C ATOM 65 OD1 ASP A 6 -1.903 -4.610 -12.734 1.00 0.00 O ATOM 66 OD2 ASP A 6 -0.797 -2.738 -12.410 1.00 0.00 O ATOM 0 H ASP A 6 0.180 -5.539 -9.149 1.00 0.00 H new ATOM 0 HA ASP A 6 0.660 -3.165 -10.630 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -1.371 -5.148 -10.338 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -2.134 -3.604 -10.013 1.00 0.00 H new ATOM 71 N ILE A 7 -0.603 -2.859 -7.620 1.00 0.00 N ATOM 72 CA ILE A 7 -0.915 -1.904 -6.565 1.00 0.00 C ATOM 73 C ILE A 7 0.327 -1.118 -6.161 1.00 0.00 C ATOM 74 O ILE A 7 0.272 0.098 -5.975 1.00 0.00 O ATOM 75 CB ILE A 7 -1.498 -2.611 -5.323 1.00 0.00 C ATOM 76 CG1 ILE A 7 -2.747 -3.408 -5.706 1.00 0.00 C ATOM 77 CG2 ILE A 7 -1.821 -1.601 -4.230 1.00 0.00 C ATOM 78 CD1 ILE A 7 -3.192 -4.385 -4.640 1.00 0.00 C ATOM 0 H ILE A 7 -0.641 -3.836 -7.329 1.00 0.00 H new ATOM 0 HA ILE A 7 -1.663 -1.217 -6.962 1.00 0.00 H new ATOM 0 HB ILE A 7 -0.750 -3.302 -4.935 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -3.561 -2.714 -5.914 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.551 -3.954 -6.629 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -2.231 -2.121 -3.364 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -0.911 -1.075 -3.941 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -2.552 -0.884 -4.602 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -4.082 -4.914 -4.980 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -2.394 -5.103 -4.448 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -3.421 -3.843 -3.722 1.00 0.00 H new ATOM 90 N LYS A 8 1.449 -1.819 -6.031 1.00 0.00 N ATOM 91 CA LYS A 8 2.705 -1.183 -5.654 1.00 0.00 C ATOM 92 C LYS A 8 3.172 -0.226 -6.745 1.00 0.00 C ATOM 93 O LYS A 8 3.598 0.895 -6.463 1.00 0.00 O ATOM 94 CB LYS A 8 3.779 -2.241 -5.391 1.00 0.00 C ATOM 95 CG LYS A 8 3.746 -2.802 -3.978 1.00 0.00 C ATOM 96 CD LYS A 8 3.935 -4.311 -3.970 1.00 0.00 C ATOM 97 CE LYS A 8 5.364 -4.695 -3.619 1.00 0.00 C ATOM 98 NZ LYS A 8 5.414 -5.798 -2.619 1.00 0.00 N ATOM 0 H LYS A 8 1.513 -2.826 -6.181 1.00 0.00 H new ATOM 0 HA LYS A 8 2.538 -0.613 -4.740 1.00 0.00 H new ATOM 0 HB2 LYS A 8 3.654 -3.059 -6.101 1.00 0.00 H new ATOM 0 HB3 LYS A 8 4.760 -1.805 -5.577 1.00 0.00 H new ATOM 0 HG2 LYS A 8 4.529 -2.334 -3.382 1.00 0.00 H new ATOM 0 HG3 LYS A 8 2.795 -2.551 -3.509 1.00 0.00 H new ATOM 0 HD2 LYS A 8 3.250 -4.760 -3.251 1.00 0.00 H new ATOM 0 HD3 LYS A 8 3.679 -4.715 -4.949 1.00 0.00 H new ATOM 0 HE2 LYS A 8 5.890 -5.001 -4.523 1.00 0.00 H new ATOM 0 HE3 LYS A 8 5.887 -3.824 -3.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 6.405 -6.030 -2.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 4.934 -5.498 -1.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 4.937 -6.638 -3.004 1.00 0.00 H new ATOM 112 N ALA A 9 3.086 -0.675 -7.993 1.00 0.00 N ATOM 113 CA ALA A 9 3.495 0.141 -9.129 1.00 0.00 C ATOM 114 C ALA A 9 2.609 1.374 -9.264 1.00 0.00 C ATOM 115 O ALA A 9 3.097 2.478 -9.509 1.00 0.00 O ATOM 116 CB ALA A 9 3.459 -0.681 -10.409 1.00 0.00 C ATOM 0 H ALA A 9 2.736 -1.600 -8.243 1.00 0.00 H new ATOM 0 HA ALA A 9 4.517 0.477 -8.956 1.00 0.00 H new ATOM 0 HB1 ALA A 9 3.767 -0.059 -11.250 1.00 0.00 H new ATOM 0 HB2 ALA A 9 4.138 -1.528 -10.317 1.00 0.00 H new ATOM 0 HB3 ALA A 9 2.446 -1.045 -10.579 1.00 0.00 H new ATOM 122 N LYS A 10 1.303 1.181 -9.100 1.00 0.00 N ATOM 123 CA LYS A 10 0.354 2.282 -9.202 1.00 0.00 C ATOM 124 C LYS A 10 0.616 3.320 -8.117 1.00 0.00 C ATOM 125 O LYS A 10 0.672 4.521 -8.390 1.00 0.00 O ATOM 126 CB LYS A 10 -1.080 1.761 -9.092 1.00 0.00 C ATOM 127 CG LYS A 10 -2.118 2.715 -9.664 1.00 0.00 C ATOM 128 CD LYS A 10 -3.114 1.992 -10.560 1.00 0.00 C ATOM 129 CE LYS A 10 -3.239 2.668 -11.916 1.00 0.00 C ATOM 130 NZ LYS A 10 -3.704 4.078 -11.794 1.00 0.00 N ATOM 0 H LYS A 10 0.880 0.275 -8.897 1.00 0.00 H new ATOM 0 HA LYS A 10 0.484 2.755 -10.175 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -1.152 0.805 -9.611 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -1.310 1.572 -8.043 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -2.651 3.205 -8.849 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -1.618 3.498 -10.234 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -2.798 0.958 -10.696 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -4.089 1.966 -10.074 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -2.274 2.647 -12.422 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -3.938 2.108 -12.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -4.050 4.411 -12.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -4.474 4.131 -11.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -2.914 4.679 -11.484 1.00 0.00 H new ATOM 144 N MET A 11 0.787 2.850 -6.884 1.00 0.00 N ATOM 145 CA MET A 11 1.053 3.744 -5.766 1.00 0.00 C ATOM 146 C MET A 11 2.350 4.507 -6.001 1.00 0.00 C ATOM 147 O MET A 11 2.427 5.708 -5.753 1.00 0.00 O ATOM 148 CB MET A 11 1.133 2.954 -4.458 1.00 0.00 C ATOM 149 CG MET A 11 -0.189 2.324 -4.050 1.00 0.00 C ATOM 150 SD MET A 11 0.026 0.781 -3.143 1.00 0.00 S ATOM 151 CE MET A 11 -1.247 0.944 -1.894 1.00 0.00 C ATOM 0 H MET A 11 0.746 1.861 -6.637 1.00 0.00 H new ATOM 0 HA MET A 11 0.234 4.459 -5.690 1.00 0.00 H new ATOM 0 HB2 MET A 11 1.884 2.170 -4.561 1.00 0.00 H new ATOM 0 HB3 MET A 11 1.472 3.617 -3.662 1.00 0.00 H new ATOM 0 HG2 MET A 11 -0.747 3.028 -3.433 1.00 0.00 H new ATOM 0 HG3 MET A 11 -0.788 2.136 -4.941 1.00 0.00 H new ATOM 0 HE1 MET A 11 -0.789 0.938 -0.905 1.00 0.00 H new ATOM 0 HE2 MET A 11 -1.782 1.882 -2.040 1.00 0.00 H new ATOM 0 HE3 MET A 11 -1.946 0.111 -1.976 1.00 0.00 H new ATOM 161 N GLN A 12 3.359 3.805 -6.508 1.00 0.00 N ATOM 162 CA GLN A 12 4.644 4.422 -6.802 1.00 0.00 C ATOM 163 C GLN A 12 4.469 5.511 -7.850 1.00 0.00 C ATOM 164 O GLN A 12 5.075 6.579 -7.761 1.00 0.00 O ATOM 165 CB GLN A 12 5.643 3.372 -7.295 1.00 0.00 C ATOM 166 CG GLN A 12 7.062 3.605 -6.804 1.00 0.00 C ATOM 167 CD GLN A 12 7.949 4.230 -7.863 1.00 0.00 C ATOM 168 OE1 GLN A 12 8.469 3.540 -8.740 1.00 0.00 O ATOM 169 NE2 GLN A 12 8.127 5.544 -7.786 1.00 0.00 N ATOM 0 H GLN A 12 3.310 2.809 -6.723 1.00 0.00 H new ATOM 0 HA GLN A 12 5.035 4.868 -5.887 1.00 0.00 H new ATOM 0 HB2 GLN A 12 5.312 2.386 -6.969 1.00 0.00 H new ATOM 0 HB3 GLN A 12 5.641 3.364 -8.385 1.00 0.00 H new ATOM 0 HG2 GLN A 12 7.038 4.252 -5.927 1.00 0.00 H new ATOM 0 HG3 GLN A 12 7.494 2.656 -6.488 1.00 0.00 H new ATOM 0 HE21 GLN A 12 7.677 6.077 -7.042 1.00 0.00 H new ATOM 0 HE22 GLN A 12 8.714 6.020 -8.471 1.00 0.00 H new ATOM 178 N ALA A 13 3.620 5.237 -8.838 1.00 0.00 N ATOM 179 CA ALA A 13 3.346 6.199 -9.895 1.00 0.00 C ATOM 180 C ALA A 13 2.747 7.469 -9.307 1.00 0.00 C ATOM 181 O ALA A 13 3.177 8.577 -9.626 1.00 0.00 O ATOM 182 CB ALA A 13 2.410 5.596 -10.932 1.00 0.00 C ATOM 0 H ALA A 13 3.112 4.357 -8.926 1.00 0.00 H new ATOM 0 HA ALA A 13 4.284 6.454 -10.388 1.00 0.00 H new ATOM 0 HB1 ALA A 13 2.215 6.328 -11.716 1.00 0.00 H new ATOM 0 HB2 ALA A 13 2.873 4.711 -11.369 1.00 0.00 H new ATOM 0 HB3 ALA A 13 1.471 5.316 -10.455 1.00 0.00 H new ATOM 188 N SER A 14 1.760 7.297 -8.432 1.00 0.00 N ATOM 189 CA SER A 14 1.112 8.431 -7.783 1.00 0.00 C ATOM 190 C SER A 14 2.130 9.218 -6.964 1.00 0.00 C ATOM 191 O SER A 14 2.107 10.448 -6.937 1.00 0.00 O ATOM 192 CB SER A 14 -0.029 7.952 -6.884 1.00 0.00 C ATOM 193 OG SER A 14 -1.239 7.840 -7.612 1.00 0.00 O ATOM 0 H SER A 14 1.393 6.386 -8.157 1.00 0.00 H new ATOM 0 HA SER A 14 0.698 9.082 -8.553 1.00 0.00 H new ATOM 0 HB2 SER A 14 0.228 6.986 -6.449 1.00 0.00 H new ATOM 0 HB3 SER A 14 -0.162 8.649 -6.057 1.00 0.00 H new ATOM 0 HG SER A 14 -1.952 7.531 -7.015 1.00 0.00 H new ATOM 199 N ILE A 15 3.031 8.492 -6.308 1.00 0.00 N ATOM 200 CA ILE A 15 4.073 9.109 -5.497 1.00 0.00 C ATOM 201 C ILE A 15 5.040 9.884 -6.382 1.00 0.00 C ATOM 202 O ILE A 15 5.441 11.003 -6.061 1.00 0.00 O ATOM 203 CB ILE A 15 4.853 8.041 -4.698 1.00 0.00 C ATOM 204 CG1 ILE A 15 3.939 7.420 -3.640 1.00 0.00 C ATOM 205 CG2 ILE A 15 6.102 8.640 -4.059 1.00 0.00 C ATOM 206 CD1 ILE A 15 4.674 6.757 -2.491 1.00 0.00 C ATOM 0 H ILE A 15 3.059 7.473 -6.323 1.00 0.00 H new ATOM 0 HA ILE A 15 3.593 9.793 -4.797 1.00 0.00 H new ATOM 0 HB ILE A 15 5.180 7.259 -5.383 1.00 0.00 H new ATOM 0 HG12 ILE A 15 3.287 8.196 -3.239 1.00 0.00 H new ATOM 0 HG13 ILE A 15 3.297 6.681 -4.120 1.00 0.00 H new ATOM 0 HG21 ILE A 15 6.632 7.867 -3.503 1.00 0.00 H new ATOM 0 HG22 ILE A 15 6.753 9.039 -4.837 1.00 0.00 H new ATOM 0 HG23 ILE A 15 5.814 9.443 -3.380 1.00 0.00 H new ATOM 0 HD11 ILE A 15 3.952 6.343 -1.787 1.00 0.00 H new ATOM 0 HD12 ILE A 15 5.305 5.956 -2.876 1.00 0.00 H new ATOM 0 HD13 ILE A 15 5.295 7.495 -1.982 1.00 0.00 H new ATOM 218 N GLU A 16 5.403 9.272 -7.497 1.00 0.00 N ATOM 219 CA GLU A 16 6.322 9.885 -8.449 1.00 0.00 C ATOM 220 C GLU A 16 5.674 11.080 -9.143 1.00 0.00 C ATOM 221 O GLU A 16 6.361 11.998 -9.588 1.00 0.00 O ATOM 222 CB GLU A 16 6.770 8.857 -9.490 1.00 0.00 C ATOM 223 CG GLU A 16 7.753 9.412 -10.509 1.00 0.00 C ATOM 224 CD GLU A 16 7.123 9.619 -11.873 1.00 0.00 C ATOM 225 OE1 GLU A 16 6.909 10.788 -12.257 1.00 0.00 O ATOM 226 OE2 GLU A 16 6.846 8.612 -12.558 1.00 0.00 O ATOM 0 H GLU A 16 5.074 8.345 -7.769 1.00 0.00 H new ATOM 0 HA GLU A 16 7.193 10.239 -7.898 1.00 0.00 H new ATOM 0 HB2 GLU A 16 7.229 8.011 -8.979 1.00 0.00 H new ATOM 0 HB3 GLU A 16 5.893 8.476 -10.013 1.00 0.00 H new ATOM 0 HG2 GLU A 16 8.148 10.361 -10.148 1.00 0.00 H new ATOM 0 HG3 GLU A 16 8.598 8.730 -10.603 1.00 0.00 H new ATOM 233 N LYS A 17 4.347 11.061 -9.233 1.00 0.00 N ATOM 234 CA LYS A 17 3.609 12.144 -9.874 1.00 0.00 C ATOM 235 C LYS A 17 3.213 13.223 -8.866 1.00 0.00 C ATOM 236 O LYS A 17 2.376 14.076 -9.158 1.00 0.00 O ATOM 237 CB LYS A 17 2.358 11.596 -10.563 1.00 0.00 C ATOM 238 CG LYS A 17 2.651 10.860 -11.861 1.00 0.00 C ATOM 239 CD LYS A 17 1.663 11.236 -12.954 1.00 0.00 C ATOM 240 CE LYS A 17 0.300 10.607 -12.712 1.00 0.00 C ATOM 241 NZ LYS A 17 -0.804 11.450 -13.250 1.00 0.00 N ATOM 0 H LYS A 17 3.762 10.308 -8.870 1.00 0.00 H new ATOM 0 HA LYS A 17 4.264 12.597 -10.618 1.00 0.00 H new ATOM 0 HB2 LYS A 17 1.844 10.920 -9.880 1.00 0.00 H new ATOM 0 HB3 LYS A 17 1.676 12.421 -10.769 1.00 0.00 H new ATOM 0 HG2 LYS A 17 3.664 11.091 -12.190 1.00 0.00 H new ATOM 0 HG3 LYS A 17 2.610 9.785 -11.687 1.00 0.00 H new ATOM 0 HD2 LYS A 17 1.562 12.320 -12.998 1.00 0.00 H new ATOM 0 HD3 LYS A 17 2.048 10.913 -13.921 1.00 0.00 H new ATOM 0 HE2 LYS A 17 0.266 9.623 -13.179 1.00 0.00 H new ATOM 0 HE3 LYS A 17 0.154 10.457 -11.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -1.716 10.987 -13.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -0.788 12.381 -12.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -0.679 11.572 -14.275 1.00 0.00 H new ATOM 255 N GLY A 18 3.817 13.182 -7.680 1.00 0.00 N ATOM 256 CA GLY A 18 3.507 14.164 -6.659 1.00 0.00 C ATOM 257 C GLY A 18 2.580 13.618 -5.591 1.00 0.00 C ATOM 258 O GLY A 18 1.734 14.341 -5.064 1.00 0.00 O ATOM 0 H GLY A 18 4.513 12.487 -7.410 1.00 0.00 H new ATOM 0 HA2 GLY A 18 4.432 14.504 -6.193 1.00 0.00 H new ATOM 0 HA3 GLY A 18 3.046 15.035 -7.125 1.00 0.00 H new ATOM 262 N GLY A 19 2.738 12.337 -5.272 1.00 0.00 N ATOM 263 CA GLY A 19 1.901 11.716 -4.263 1.00 0.00 C ATOM 264 C GLY A 19 2.651 11.445 -2.973 1.00 0.00 C ATOM 265 O GLY A 19 3.795 11.870 -2.812 1.00 0.00 O ATOM 0 H GLY A 19 3.431 11.719 -5.694 1.00 0.00 H new ATOM 0 HA2 GLY A 19 1.048 12.362 -4.055 1.00 0.00 H new ATOM 0 HA3 GLY A 19 1.503 10.779 -4.652 1.00 0.00 H new ATOM 269 N SER A 20 2.005 10.737 -2.054 1.00 0.00 N ATOM 270 CA SER A 20 2.616 10.409 -0.772 1.00 0.00 C ATOM 271 C SER A 20 1.847 9.292 -0.074 1.00 0.00 C ATOM 272 O SER A 20 0.616 9.262 -0.099 1.00 0.00 O ATOM 273 CB SER A 20 2.665 11.647 0.125 1.00 0.00 C ATOM 274 OG SER A 20 1.413 11.874 0.750 1.00 0.00 O ATOM 0 H SER A 20 1.057 10.379 -2.173 1.00 0.00 H new ATOM 0 HA SER A 20 3.633 10.064 -0.960 1.00 0.00 H new ATOM 0 HB2 SER A 20 3.436 11.519 0.885 1.00 0.00 H new ATOM 0 HB3 SER A 20 2.942 12.519 -0.468 1.00 0.00 H new ATOM 0 HG SER A 20 1.471 12.670 1.319 1.00 0.00 H new ATOM 280 N LEU A 21 2.580 8.374 0.548 1.00 0.00 N ATOM 281 CA LEU A 21 1.965 7.255 1.253 1.00 0.00 C ATOM 282 C LEU A 21 2.057 7.448 2.765 1.00 0.00 C ATOM 283 O LEU A 21 3.031 8.007 3.269 1.00 0.00 O ATOM 284 CB LEU A 21 2.640 5.940 0.851 1.00 0.00 C ATOM 285 CG LEU A 21 2.009 5.226 -0.347 1.00 0.00 C ATOM 286 CD1 LEU A 21 1.824 6.188 -1.512 1.00 0.00 C ATOM 287 CD2 LEU A 21 2.861 4.036 -0.764 1.00 0.00 C ATOM 0 H LEU A 21 3.600 8.383 0.578 1.00 0.00 H new ATOM 0 HA LEU A 21 0.912 7.215 0.974 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.687 6.142 0.624 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.624 5.265 1.707 1.00 0.00 H new ATOM 0 HG LEU A 21 1.026 4.860 -0.050 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.374 5.659 -2.352 1.00 0.00 H new ATOM 0 HD12 LEU A 21 1.172 7.007 -1.208 1.00 0.00 H new ATOM 0 HD13 LEU A 21 2.793 6.588 -1.811 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.399 3.539 -1.617 1.00 0.00 H new ATOM 0 HD22 LEU A 21 3.857 4.381 -1.041 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.938 3.335 0.067 1.00 0.00 H new ATOM 299 N PRO A 22 1.040 6.984 3.512 1.00 0.00 N ATOM 300 CA PRO A 22 1.014 7.108 4.973 1.00 0.00 C ATOM 301 C PRO A 22 2.275 6.548 5.622 1.00 0.00 C ATOM 302 O PRO A 22 3.130 5.975 4.947 1.00 0.00 O ATOM 303 CB PRO A 22 -0.208 6.283 5.382 1.00 0.00 C ATOM 304 CG PRO A 22 -1.085 6.279 4.179 1.00 0.00 C ATOM 305 CD PRO A 22 -0.161 6.302 2.994 1.00 0.00 C ATOM 0 HA PRO A 22 0.966 8.149 5.292 1.00 0.00 H new ATOM 0 HB2 PRO A 22 0.076 5.270 5.668 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -0.715 6.726 6.239 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -1.720 5.393 4.162 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -1.746 7.145 4.175 1.00 0.00 H new ATOM 0 HD2 PRO A 22 0.068 5.296 2.643 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -0.598 6.841 2.154 1.00 0.00 H new ATOM 313 N LYS A 23 2.383 6.718 6.935 1.00 0.00 N ATOM 314 CA LYS A 23 3.541 6.229 7.677 1.00 0.00 C ATOM 315 C LYS A 23 3.124 5.305 8.823 1.00 0.00 C ATOM 316 O LYS A 23 3.970 4.683 9.464 1.00 0.00 O ATOM 317 CB LYS A 23 4.359 7.405 8.220 1.00 0.00 C ATOM 318 CG LYS A 23 3.673 8.165 9.346 1.00 0.00 C ATOM 319 CD LYS A 23 2.533 9.032 8.829 1.00 0.00 C ATOM 320 CE LYS A 23 1.195 8.610 9.418 1.00 0.00 C ATOM 321 NZ LYS A 23 0.060 9.358 8.811 1.00 0.00 N ATOM 0 H LYS A 23 1.684 7.190 7.508 1.00 0.00 H new ATOM 0 HA LYS A 23 4.157 5.651 6.988 1.00 0.00 H new ATOM 0 HB2 LYS A 23 5.319 7.033 8.578 1.00 0.00 H new ATOM 0 HB3 LYS A 23 4.570 8.096 7.404 1.00 0.00 H new ATOM 0 HG2 LYS A 23 3.288 7.458 10.080 1.00 0.00 H new ATOM 0 HG3 LYS A 23 4.403 8.792 9.859 1.00 0.00 H new ATOM 0 HD2 LYS A 23 2.727 10.075 9.077 1.00 0.00 H new ATOM 0 HD3 LYS A 23 2.489 8.966 7.742 1.00 0.00 H new ATOM 0 HE2 LYS A 23 1.050 7.541 9.261 1.00 0.00 H new ATOM 0 HE3 LYS A 23 1.204 8.776 10.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -0.833 9.041 9.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 0.184 10.376 8.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 0.035 9.180 7.787 1.00 0.00 H new ATOM 335 N VAL A 24 1.820 5.213 9.072 1.00 0.00 N ATOM 336 CA VAL A 24 1.306 4.357 10.134 1.00 0.00 C ATOM 337 C VAL A 24 0.680 3.098 9.548 1.00 0.00 C ATOM 338 O VAL A 24 0.091 3.135 8.471 1.00 0.00 O ATOM 339 CB VAL A 24 0.258 5.090 10.994 1.00 0.00 C ATOM 340 CG1 VAL A 24 -0.143 4.239 12.189 1.00 0.00 C ATOM 341 CG2 VAL A 24 0.788 6.443 11.449 1.00 0.00 C ATOM 0 H VAL A 24 1.103 5.720 8.553 1.00 0.00 H new ATOM 0 HA VAL A 24 2.150 4.087 10.769 1.00 0.00 H new ATOM 0 HB VAL A 24 -0.629 5.260 10.383 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -0.884 4.773 12.784 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.569 3.298 11.839 1.00 0.00 H new ATOM 0 HG13 VAL A 24 0.735 4.034 12.801 1.00 0.00 H new ATOM 0 HG21 VAL A 24 0.033 6.944 12.055 1.00 0.00 H new ATOM 0 HG22 VAL A 24 1.692 6.299 12.041 1.00 0.00 H new ATOM 0 HG23 VAL A 24 1.019 7.055 10.577 1.00 0.00 H new ATOM 351 N GLU A 25 0.818 1.985 10.255 1.00 0.00 N ATOM 352 CA GLU A 25 0.270 0.715 9.796 1.00 0.00 C ATOM 353 C GLU A 25 -1.239 0.806 9.565 1.00 0.00 C ATOM 354 O GLU A 25 -1.746 0.341 8.545 1.00 0.00 O ATOM 355 CB GLU A 25 0.575 -0.388 10.812 1.00 0.00 C ATOM 356 CG GLU A 25 0.156 -1.775 10.353 1.00 0.00 C ATOM 357 CD GLU A 25 0.665 -2.870 11.269 1.00 0.00 C ATOM 358 OE1 GLU A 25 0.503 -2.737 12.501 1.00 0.00 O ATOM 359 OE2 GLU A 25 1.226 -3.861 10.756 1.00 0.00 O ATOM 0 H GLU A 25 1.305 1.935 11.150 1.00 0.00 H new ATOM 0 HA GLU A 25 0.743 0.473 8.844 1.00 0.00 H new ATOM 0 HB2 GLU A 25 1.645 -0.392 11.020 1.00 0.00 H new ATOM 0 HB3 GLU A 25 0.068 -0.157 11.749 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -0.932 -1.824 10.303 1.00 0.00 H new ATOM 0 HG3 GLU A 25 0.529 -1.948 9.344 1.00 0.00 H new ATOM 366 N ALA A 26 -1.953 1.397 10.519 1.00 0.00 N ATOM 367 CA ALA A 26 -3.404 1.529 10.413 1.00 0.00 C ATOM 368 C ALA A 26 -3.810 2.498 9.306 1.00 0.00 C ATOM 369 O ALA A 26 -4.790 2.265 8.596 1.00 0.00 O ATOM 370 CB ALA A 26 -3.983 1.984 11.744 1.00 0.00 C ATOM 0 H ALA A 26 -1.553 1.791 11.371 1.00 0.00 H new ATOM 0 HA ALA A 26 -3.806 0.549 10.155 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -5.065 2.080 11.656 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -3.745 1.250 12.514 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -3.554 2.948 12.017 1.00 0.00 H new ATOM 376 N LYS A 27 -3.053 3.580 9.152 1.00 0.00 N ATOM 377 CA LYS A 27 -3.352 4.566 8.120 1.00 0.00 C ATOM 378 C LYS A 27 -2.986 4.016 6.750 1.00 0.00 C ATOM 379 O LYS A 27 -3.664 4.278 5.754 1.00 0.00 O ATOM 380 CB LYS A 27 -2.589 5.865 8.385 1.00 0.00 C ATOM 381 CG LYS A 27 -2.866 6.465 9.753 1.00 0.00 C ATOM 382 CD LYS A 27 -3.835 7.633 9.665 1.00 0.00 C ATOM 383 CE LYS A 27 -5.280 7.160 9.669 1.00 0.00 C ATOM 384 NZ LYS A 27 -5.773 6.891 11.047 1.00 0.00 N ATOM 0 H LYS A 27 -2.236 3.795 9.723 1.00 0.00 H new ATOM 0 HA LYS A 27 -4.421 4.779 8.142 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -1.520 5.674 8.291 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -2.851 6.594 7.618 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -3.277 5.699 10.411 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -1.930 6.800 10.200 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.670 8.308 10.505 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.640 8.201 8.756 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -5.910 7.915 9.199 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -5.367 6.254 9.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -6.762 6.571 11.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -5.188 6.152 11.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -5.714 7.762 11.613 1.00 0.00 H new ATOM 398 N PHE A 28 -1.919 3.230 6.717 1.00 0.00 N ATOM 399 CA PHE A 28 -1.465 2.616 5.485 1.00 0.00 C ATOM 400 C PHE A 28 -2.464 1.558 5.044 1.00 0.00 C ATOM 401 O PHE A 28 -2.889 1.529 3.891 1.00 0.00 O ATOM 402 CB PHE A 28 -0.080 1.996 5.681 1.00 0.00 C ATOM 403 CG PHE A 28 0.423 1.252 4.479 1.00 0.00 C ATOM 404 CD1 PHE A 28 0.427 -0.132 4.461 1.00 0.00 C ATOM 405 CD2 PHE A 28 0.889 1.936 3.369 1.00 0.00 C ATOM 406 CE1 PHE A 28 0.888 -0.822 3.358 1.00 0.00 C ATOM 407 CE2 PHE A 28 1.351 1.252 2.261 1.00 0.00 C ATOM 408 CZ PHE A 28 1.351 -0.129 2.255 1.00 0.00 C ATOM 0 H PHE A 28 -1.352 3.004 7.534 1.00 0.00 H new ATOM 0 HA PHE A 28 -1.392 3.379 4.710 1.00 0.00 H new ATOM 0 HB2 PHE A 28 0.629 2.785 5.932 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -0.114 1.315 6.531 1.00 0.00 H new ATOM 0 HD1 PHE A 28 0.065 -0.678 5.320 1.00 0.00 H new ATOM 0 HD2 PHE A 28 0.891 3.016 3.369 1.00 0.00 H new ATOM 0 HE1 PHE A 28 0.887 -1.902 3.357 1.00 0.00 H new ATOM 0 HE2 PHE A 28 1.712 1.797 1.401 1.00 0.00 H new ATOM 0 HZ PHE A 28 1.712 -0.666 1.391 1.00 0.00 H new ATOM 418 N ILE A 29 -2.852 0.703 5.984 1.00 0.00 N ATOM 419 CA ILE A 29 -3.820 -0.346 5.708 1.00 0.00 C ATOM 420 C ILE A 29 -5.140 0.262 5.252 1.00 0.00 C ATOM 421 O ILE A 29 -5.773 -0.231 4.320 1.00 0.00 O ATOM 422 CB ILE A 29 -4.059 -1.231 6.952 1.00 0.00 C ATOM 423 CG1 ILE A 29 -2.780 -1.983 7.318 1.00 0.00 C ATOM 424 CG2 ILE A 29 -5.199 -2.211 6.708 1.00 0.00 C ATOM 425 CD1 ILE A 29 -2.740 -2.443 8.759 1.00 0.00 C ATOM 0 H ILE A 29 -2.509 0.718 6.944 1.00 0.00 H new ATOM 0 HA ILE A 29 -3.414 -0.972 4.913 1.00 0.00 H new ATOM 0 HB ILE A 29 -4.338 -0.585 7.785 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -2.679 -2.850 6.665 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -1.922 -1.338 7.127 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -5.349 -2.823 7.597 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -6.113 -1.659 6.489 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -4.952 -2.853 5.863 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -1.804 -2.969 8.947 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -2.809 -1.578 9.419 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -3.578 -3.114 8.950 1.00 0.00 H new ATOM 437 N ASN A 30 -5.549 1.339 5.916 1.00 0.00 N ATOM 438 CA ASN A 30 -6.793 2.013 5.573 1.00 0.00 C ATOM 439 C ASN A 30 -6.724 2.609 4.169 1.00 0.00 C ATOM 440 O ASN A 30 -7.695 2.549 3.415 1.00 0.00 O ATOM 441 CB ASN A 30 -7.098 3.113 6.591 1.00 0.00 C ATOM 442 CG ASN A 30 -8.525 3.616 6.487 1.00 0.00 C ATOM 443 OD1 ASN A 30 -8.764 4.815 6.342 1.00 0.00 O ATOM 444 ND2 ASN A 30 -9.482 2.699 6.561 1.00 0.00 N ATOM 0 H ASN A 30 -5.038 1.761 6.691 1.00 0.00 H new ATOM 0 HA ASN A 30 -7.594 1.274 5.594 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -6.922 2.732 7.597 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -6.410 3.945 6.440 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -10.461 2.977 6.497 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -9.238 1.716 6.681 1.00 0.00 H new ATOM 451 N TYR A 31 -5.576 3.188 3.822 1.00 0.00 N ATOM 452 CA TYR A 31 -5.399 3.796 2.505 1.00 0.00 C ATOM 453 C TYR A 31 -5.381 2.736 1.400 1.00 0.00 C ATOM 454 O TYR A 31 -6.112 2.846 0.416 1.00 0.00 O ATOM 455 CB TYR A 31 -4.124 4.662 2.494 1.00 0.00 C ATOM 456 CG TYR A 31 -3.063 4.279 1.474 1.00 0.00 C ATOM 457 CD1 TYR A 31 -3.315 4.342 0.107 1.00 0.00 C ATOM 458 CD2 TYR A 31 -1.799 3.879 1.886 1.00 0.00 C ATOM 459 CE1 TYR A 31 -2.336 4.016 -0.814 1.00 0.00 C ATOM 460 CE2 TYR A 31 -0.818 3.549 0.973 1.00 0.00 C ATOM 461 CZ TYR A 31 -1.091 3.620 -0.375 1.00 0.00 C ATOM 462 OH TYR A 31 -0.112 3.300 -1.288 1.00 0.00 O ATOM 0 H TYR A 31 -4.759 3.249 4.430 1.00 0.00 H new ATOM 0 HA TYR A 31 -6.251 4.444 2.300 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -4.414 5.697 2.315 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -3.675 4.624 3.487 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -4.290 4.650 -0.240 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -1.579 3.825 2.942 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -2.546 4.071 -1.872 1.00 0.00 H new ATOM 0 HE2 TYR A 31 0.158 3.237 1.314 1.00 0.00 H new ATOM 0 HH TYR A 31 0.027 4.055 -1.897 1.00 0.00 H new ATOM 472 N VAL A 32 -4.548 1.714 1.566 1.00 0.00 N ATOM 473 CA VAL A 32 -4.449 0.644 0.575 1.00 0.00 C ATOM 474 C VAL A 32 -5.737 -0.168 0.501 1.00 0.00 C ATOM 475 O VAL A 32 -6.227 -0.481 -0.583 1.00 0.00 O ATOM 476 CB VAL A 32 -3.283 -0.312 0.888 1.00 0.00 C ATOM 477 CG1 VAL A 32 -3.061 -1.284 -0.263 1.00 0.00 C ATOM 478 CG2 VAL A 32 -2.018 0.474 1.184 1.00 0.00 C ATOM 0 H VAL A 32 -3.934 1.602 2.373 1.00 0.00 H new ATOM 0 HA VAL A 32 -4.270 1.130 -0.384 1.00 0.00 H new ATOM 0 HB VAL A 32 -3.540 -0.892 1.774 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -2.233 -1.951 -0.022 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -3.965 -1.872 -0.423 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -2.826 -0.727 -1.170 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -1.204 -0.216 1.403 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -1.756 1.081 0.318 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -2.185 1.122 2.044 1.00 0.00 H new ATOM 488 N LYS A 33 -6.272 -0.518 1.665 1.00 0.00 N ATOM 489 CA LYS A 33 -7.496 -1.309 1.740 1.00 0.00 C ATOM 490 C LYS A 33 -8.682 -0.573 1.123 1.00 0.00 C ATOM 491 O LYS A 33 -9.572 -1.191 0.547 1.00 0.00 O ATOM 492 CB LYS A 33 -7.806 -1.670 3.194 1.00 0.00 C ATOM 493 CG LYS A 33 -8.874 -2.743 3.340 1.00 0.00 C ATOM 494 CD LYS A 33 -10.168 -2.177 3.907 1.00 0.00 C ATOM 495 CE LYS A 33 -10.481 -2.759 5.276 1.00 0.00 C ATOM 496 NZ LYS A 33 -11.930 -2.659 5.605 1.00 0.00 N ATOM 0 H LYS A 33 -5.877 -0.266 2.571 1.00 0.00 H new ATOM 0 HA LYS A 33 -7.333 -2.222 1.167 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -6.891 -2.012 3.678 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -8.130 -0.773 3.721 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -9.070 -3.196 2.368 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -8.507 -3.535 3.992 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -10.090 -1.092 3.981 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -10.990 -2.391 3.224 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -10.174 -3.804 5.305 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -9.900 -2.235 6.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -12.101 -3.067 6.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -12.218 -1.660 5.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -12.484 -3.181 4.896 1.00 0.00 H new ATOM 510 N ASN A 34 -8.701 0.745 1.254 1.00 0.00 N ATOM 511 CA ASN A 34 -9.795 1.542 0.709 1.00 0.00 C ATOM 512 C ASN A 34 -9.652 1.736 -0.799 1.00 0.00 C ATOM 513 O ASN A 34 -10.634 1.675 -1.538 1.00 0.00 O ATOM 514 CB ASN A 34 -9.855 2.906 1.399 1.00 0.00 C ATOM 515 CG ASN A 34 -10.719 2.889 2.646 1.00 0.00 C ATOM 516 OD1 ASN A 34 -11.482 3.821 2.898 1.00 0.00 O ATOM 517 ND2 ASN A 34 -10.603 1.826 3.433 1.00 0.00 N ATOM 0 H ASN A 34 -7.977 1.284 1.729 1.00 0.00 H new ATOM 0 HA ASN A 34 -10.721 0.998 0.897 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -8.846 3.220 1.665 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -10.245 3.646 0.700 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -11.159 1.759 4.285 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -9.958 1.076 3.185 1.00 0.00 H new ATOM 524 N CYS A 35 -8.428 1.997 -1.244 1.00 0.00 N ATOM 525 CA CYS A 35 -8.160 2.234 -2.660 1.00 0.00 C ATOM 526 C CYS A 35 -8.052 0.942 -3.473 1.00 0.00 C ATOM 527 O CYS A 35 -8.543 0.875 -4.600 1.00 0.00 O ATOM 528 CB CYS A 35 -6.875 3.052 -2.817 1.00 0.00 C ATOM 529 SG CYS A 35 -7.108 4.634 -3.661 1.00 0.00 S ATOM 0 H CYS A 35 -7.604 2.050 -0.645 1.00 0.00 H new ATOM 0 HA CYS A 35 -9.012 2.788 -3.054 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -6.452 3.238 -1.830 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -6.146 2.461 -3.370 1.00 0.00 H new ATOM 0 HG CYS A 35 -5.968 5.254 -3.744 1.00 0.00 H new ATOM 535 N PHE A 36 -7.378 -0.069 -2.928 1.00 0.00 N ATOM 536 CA PHE A 36 -7.188 -1.326 -3.654 1.00 0.00 C ATOM 537 C PHE A 36 -7.946 -2.500 -3.033 1.00 0.00 C ATOM 538 O PHE A 36 -7.940 -3.602 -3.583 1.00 0.00 O ATOM 539 CB PHE A 36 -5.697 -1.657 -3.735 1.00 0.00 C ATOM 540 CG PHE A 36 -4.846 -0.473 -4.097 1.00 0.00 C ATOM 541 CD1 PHE A 36 -4.376 -0.309 -5.390 1.00 0.00 C ATOM 542 CD2 PHE A 36 -4.523 0.480 -3.144 1.00 0.00 C ATOM 543 CE1 PHE A 36 -3.599 0.784 -5.725 1.00 0.00 C ATOM 544 CE2 PHE A 36 -3.746 1.573 -3.472 1.00 0.00 C ATOM 545 CZ PHE A 36 -3.283 1.726 -4.765 1.00 0.00 C ATOM 0 H PHE A 36 -6.959 -0.045 -1.998 1.00 0.00 H new ATOM 0 HA PHE A 36 -7.599 -1.178 -4.653 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -5.367 -2.053 -2.775 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -5.546 -2.444 -4.474 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -4.619 -1.043 -6.144 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -4.884 0.366 -2.132 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -3.239 0.902 -6.736 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -3.500 2.307 -2.719 1.00 0.00 H new ATOM 0 HZ PHE A 36 -2.675 2.580 -5.025 1.00 0.00 H new ATOM 555 N ARG A 37 -8.600 -2.277 -1.899 1.00 0.00 N ATOM 556 CA ARG A 37 -9.352 -3.343 -1.242 1.00 0.00 C ATOM 557 C ARG A 37 -8.432 -4.484 -0.814 1.00 0.00 C ATOM 558 O ARG A 37 -8.861 -5.634 -0.715 1.00 0.00 O ATOM 559 CB ARG A 37 -10.444 -3.873 -2.177 1.00 0.00 C ATOM 560 CG ARG A 37 -11.835 -3.367 -1.833 1.00 0.00 C ATOM 561 CD ARG A 37 -12.806 -3.570 -2.986 1.00 0.00 C ATOM 562 NE ARG A 37 -13.551 -2.352 -3.296 1.00 0.00 N ATOM 563 CZ ARG A 37 -14.565 -1.896 -2.564 1.00 0.00 C ATOM 564 NH1 ARG A 37 -14.958 -2.554 -1.480 1.00 0.00 N ATOM 565 NH2 ARG A 37 -15.187 -0.779 -2.915 1.00 0.00 N ATOM 0 H ARG A 37 -8.626 -1.378 -1.418 1.00 0.00 H new ATOM 0 HA ARG A 37 -9.816 -2.926 -0.348 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -10.205 -3.586 -3.201 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -10.443 -4.962 -2.142 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -12.204 -3.888 -0.950 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -11.785 -2.308 -1.581 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -12.256 -3.893 -3.870 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -13.505 -4.368 -2.735 1.00 0.00 H new ATOM 0 HE ARG A 37 -13.278 -1.820 -4.122 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -14.482 -3.413 -1.205 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -15.736 -2.200 -0.923 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -14.889 -0.269 -3.746 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -15.964 -0.430 -2.354 1.00 0.00 H new ATOM 579 N MET A 38 -7.168 -4.161 -0.555 1.00 0.00 N ATOM 580 CA MET A 38 -6.197 -5.164 -0.132 1.00 0.00 C ATOM 581 C MET A 38 -6.501 -5.638 1.287 1.00 0.00 C ATOM 582 O MET A 38 -5.797 -5.290 2.234 1.00 0.00 O ATOM 583 CB MET A 38 -4.776 -4.596 -0.207 1.00 0.00 C ATOM 584 CG MET A 38 -4.182 -4.632 -1.605 1.00 0.00 C ATOM 585 SD MET A 38 -4.030 -6.308 -2.252 1.00 0.00 S ATOM 586 CE MET A 38 -5.467 -6.391 -3.319 1.00 0.00 C ATOM 0 H MET A 38 -6.793 -3.215 -0.630 1.00 0.00 H new ATOM 0 HA MET A 38 -6.269 -6.018 -0.806 1.00 0.00 H new ATOM 0 HB2 MET A 38 -4.786 -3.566 0.149 1.00 0.00 H new ATOM 0 HB3 MET A 38 -4.132 -5.160 0.468 1.00 0.00 H new ATOM 0 HG2 MET A 38 -4.807 -4.043 -2.276 1.00 0.00 H new ATOM 0 HG3 MET A 38 -3.199 -4.162 -1.590 1.00 0.00 H new ATOM 0 HE1 MET A 38 -6.202 -7.070 -2.887 1.00 0.00 H new ATOM 0 HE2 MET A 38 -5.904 -5.398 -3.418 1.00 0.00 H new ATOM 0 HE3 MET A 38 -5.170 -6.756 -4.302 1.00 0.00 H new ATOM 596 N THR A 39 -7.564 -6.427 1.424 1.00 0.00 N ATOM 597 CA THR A 39 -7.973 -6.944 2.727 1.00 0.00 C ATOM 598 C THR A 39 -7.261 -8.253 3.068 1.00 0.00 C ATOM 599 O THR A 39 -7.584 -8.898 4.065 1.00 0.00 O ATOM 600 CB THR A 39 -9.488 -7.156 2.756 1.00 0.00 C ATOM 601 OG1 THR A 39 -10.168 -5.964 2.409 1.00 0.00 O ATOM 602 CG2 THR A 39 -10.003 -7.602 4.107 1.00 0.00 C ATOM 0 H THR A 39 -8.157 -6.722 0.649 1.00 0.00 H new ATOM 0 HA THR A 39 -7.691 -6.205 3.477 1.00 0.00 H new ATOM 0 HB THR A 39 -9.683 -7.946 2.031 1.00 0.00 H new ATOM 0 HG1 THR A 39 -11.135 -6.121 2.432 1.00 0.00 H new ATOM 0 HG21 THR A 39 -11.084 -7.734 4.059 1.00 0.00 H new ATOM 0 HG22 THR A 39 -9.534 -8.547 4.381 1.00 0.00 H new ATOM 0 HG23 THR A 39 -9.763 -6.847 4.855 1.00 0.00 H new ATOM 610 N ASP A 40 -6.291 -8.641 2.244 1.00 0.00 N ATOM 611 CA ASP A 40 -5.544 -9.872 2.479 1.00 0.00 C ATOM 612 C ASP A 40 -4.376 -9.616 3.425 1.00 0.00 C ATOM 613 O ASP A 40 -3.556 -8.730 3.184 1.00 0.00 O ATOM 614 CB ASP A 40 -5.030 -10.445 1.157 1.00 0.00 C ATOM 615 CG ASP A 40 -5.058 -11.960 1.135 1.00 0.00 C ATOM 616 OD1 ASP A 40 -4.162 -12.561 0.505 1.00 0.00 O ATOM 617 OD2 ASP A 40 -5.975 -12.547 1.747 1.00 0.00 O ATOM 0 H ASP A 40 -6.006 -8.124 1.413 1.00 0.00 H new ATOM 0 HA ASP A 40 -6.215 -10.597 2.940 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -5.637 -10.061 0.337 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -4.010 -10.101 0.987 1.00 0.00 H new ATOM 622 N GLN A 41 -4.307 -10.389 4.505 1.00 0.00 N ATOM 623 CA GLN A 41 -3.237 -10.231 5.486 1.00 0.00 C ATOM 624 C GLN A 41 -1.867 -10.335 4.821 1.00 0.00 C ATOM 625 O GLN A 41 -0.919 -9.663 5.226 1.00 0.00 O ATOM 626 CB GLN A 41 -3.369 -11.287 6.587 1.00 0.00 C ATOM 627 CG GLN A 41 -3.548 -10.697 7.976 1.00 0.00 C ATOM 628 CD GLN A 41 -4.600 -11.426 8.789 1.00 0.00 C ATOM 629 OE1 GLN A 41 -4.478 -12.622 9.054 1.00 0.00 O ATOM 630 NE2 GLN A 41 -5.643 -10.707 9.188 1.00 0.00 N ATOM 0 H GLN A 41 -4.976 -11.128 4.723 1.00 0.00 H new ATOM 0 HA GLN A 41 -3.327 -9.240 5.931 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -4.220 -11.930 6.362 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -2.481 -11.919 6.581 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -2.596 -10.731 8.506 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -3.826 -9.647 7.887 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -5.703 -9.718 8.946 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -6.384 -11.144 9.737 1.00 0.00 H new ATOM 639 N GLU A 42 -1.773 -11.171 3.792 1.00 0.00 N ATOM 640 CA GLU A 42 -0.521 -11.347 3.067 1.00 0.00 C ATOM 641 C GLU A 42 -0.177 -10.086 2.282 1.00 0.00 C ATOM 642 O GLU A 42 0.957 -9.606 2.316 1.00 0.00 O ATOM 643 CB GLU A 42 -0.614 -12.547 2.123 1.00 0.00 C ATOM 644 CG GLU A 42 0.612 -13.445 2.157 1.00 0.00 C ATOM 645 CD GLU A 42 1.438 -13.355 0.888 1.00 0.00 C ATOM 646 OE1 GLU A 42 1.575 -12.237 0.347 1.00 0.00 O ATOM 647 OE2 GLU A 42 1.948 -14.401 0.436 1.00 0.00 O ATOM 0 H GLU A 42 -2.547 -11.736 3.442 1.00 0.00 H new ATOM 0 HA GLU A 42 0.272 -11.533 3.792 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -1.493 -13.136 2.384 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -0.762 -12.187 1.105 1.00 0.00 H new ATOM 0 HG2 GLU A 42 1.233 -13.173 3.010 1.00 0.00 H new ATOM 0 HG3 GLU A 42 0.297 -14.477 2.308 1.00 0.00 H new ATOM 654 N ALA A 43 -1.172 -9.550 1.581 1.00 0.00 N ATOM 655 CA ALA A 43 -0.985 -8.341 0.792 1.00 0.00 C ATOM 656 C ALA A 43 -0.700 -7.150 1.696 1.00 0.00 C ATOM 657 O ALA A 43 0.118 -6.292 1.371 1.00 0.00 O ATOM 658 CB ALA A 43 -2.211 -8.074 -0.068 1.00 0.00 C ATOM 0 H ALA A 43 -2.116 -9.936 1.545 1.00 0.00 H new ATOM 0 HA ALA A 43 -0.127 -8.487 0.136 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -2.055 -7.167 -0.652 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -2.373 -8.916 -0.742 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.084 -7.948 0.572 1.00 0.00 H new ATOM 664 N ILE A 44 -1.377 -7.113 2.839 1.00 0.00 N ATOM 665 CA ILE A 44 -1.195 -6.037 3.802 1.00 0.00 C ATOM 666 C ILE A 44 0.212 -6.079 4.389 1.00 0.00 C ATOM 667 O ILE A 44 0.882 -5.052 4.500 1.00 0.00 O ATOM 668 CB ILE A 44 -2.232 -6.125 4.942 1.00 0.00 C ATOM 669 CG1 ILE A 44 -3.646 -5.945 4.385 1.00 0.00 C ATOM 670 CG2 ILE A 44 -1.947 -5.084 6.015 1.00 0.00 C ATOM 671 CD1 ILE A 44 -4.734 -6.379 5.343 1.00 0.00 C ATOM 0 H ILE A 44 -2.058 -7.818 3.120 1.00 0.00 H new ATOM 0 HA ILE A 44 -1.339 -5.094 3.274 1.00 0.00 H new ATOM 0 HB ILE A 44 -2.157 -7.112 5.399 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -3.796 -4.896 4.129 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -3.739 -6.515 3.461 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -2.691 -5.165 6.808 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -0.954 -5.253 6.431 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -1.992 -4.087 5.576 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -5.709 -6.223 4.881 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -4.610 -7.436 5.580 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -4.668 -5.792 6.259 1.00 0.00 H new ATOM 683 N GLN A 45 0.656 -7.277 4.755 1.00 0.00 N ATOM 684 CA GLN A 45 1.986 -7.458 5.321 1.00 0.00 C ATOM 685 C GLN A 45 3.053 -7.052 4.311 1.00 0.00 C ATOM 686 O GLN A 45 4.015 -6.364 4.650 1.00 0.00 O ATOM 687 CB GLN A 45 2.190 -8.915 5.746 1.00 0.00 C ATOM 688 CG GLN A 45 2.172 -9.116 7.253 1.00 0.00 C ATOM 689 CD GLN A 45 0.961 -9.898 7.724 1.00 0.00 C ATOM 690 OE1 GLN A 45 -0.149 -9.200 7.936 1.00 0.00 O flip ATOM 691 NE2 GLN A 45 1.023 -11.116 7.895 1.00 0.00 N flip ATOM 0 H GLN A 45 0.113 -8.136 4.669 1.00 0.00 H new ATOM 0 HA GLN A 45 2.077 -6.820 6.200 1.00 0.00 H new ATOM 0 HB2 GLN A 45 1.410 -9.529 5.296 1.00 0.00 H new ATOM 0 HB3 GLN A 45 3.142 -9.270 5.351 1.00 0.00 H new ATOM 0 HG2 GLN A 45 3.078 -9.640 7.557 1.00 0.00 H new ATOM 0 HG3 GLN A 45 2.186 -8.144 7.745 1.00 0.00 H new ATOM 0 HE21 GLN A 45 1.897 -11.612 7.720 1.00 0.00 H new ATOM 0 HE22 GLN A 45 0.200 -11.629 8.212 1.00 0.00 H new ATOM 700 N ASP A 46 2.871 -7.479 3.066 1.00 0.00 N ATOM 701 CA ASP A 46 3.814 -7.156 2.003 1.00 0.00 C ATOM 702 C ASP A 46 3.766 -5.667 1.676 1.00 0.00 C ATOM 703 O ASP A 46 4.804 -5.021 1.518 1.00 0.00 O ATOM 704 CB ASP A 46 3.505 -7.981 0.751 1.00 0.00 C ATOM 705 CG ASP A 46 4.653 -8.892 0.361 1.00 0.00 C ATOM 706 OD1 ASP A 46 4.609 -10.088 0.718 1.00 0.00 O ATOM 707 OD2 ASP A 46 5.596 -8.410 -0.301 1.00 0.00 O ATOM 0 H ASP A 46 2.079 -8.049 2.769 1.00 0.00 H new ATOM 0 HA ASP A 46 4.818 -7.402 2.348 1.00 0.00 H new ATOM 0 HB2 ASP A 46 2.612 -8.581 0.926 1.00 0.00 H new ATOM 0 HB3 ASP A 46 3.280 -7.309 -0.077 1.00 0.00 H new ATOM 712 N LEU A 47 2.555 -5.125 1.579 1.00 0.00 N ATOM 713 CA LEU A 47 2.378 -3.710 1.274 1.00 0.00 C ATOM 714 C LEU A 47 2.939 -2.850 2.400 1.00 0.00 C ATOM 715 O LEU A 47 3.535 -1.796 2.158 1.00 0.00 O ATOM 716 CB LEU A 47 0.892 -3.397 1.069 1.00 0.00 C ATOM 717 CG LEU A 47 0.415 -3.392 -0.386 1.00 0.00 C ATOM 718 CD1 LEU A 47 0.956 -2.172 -1.115 1.00 0.00 C ATOM 719 CD2 LEU A 47 0.832 -4.673 -1.096 1.00 0.00 C ATOM 0 H LEU A 47 1.685 -5.643 1.707 1.00 0.00 H new ATOM 0 HA LEU A 47 2.920 -3.483 0.356 1.00 0.00 H new ATOM 0 HB2 LEU A 47 0.304 -4.129 1.623 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.680 -2.421 1.506 1.00 0.00 H new ATOM 0 HG LEU A 47 -0.674 -3.343 -0.391 1.00 0.00 H new ATOM 0 HD11 LEU A 47 0.609 -2.182 -2.148 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.602 -1.267 -0.622 1.00 0.00 H new ATOM 0 HD13 LEU A 47 2.046 -2.192 -1.098 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.482 -4.647 -2.128 1.00 0.00 H new ATOM 0 HD22 LEU A 47 1.919 -4.759 -1.083 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.394 -5.531 -0.586 1.00 0.00 H new ATOM 731 N TRP A 48 2.765 -3.315 3.633 1.00 0.00 N ATOM 732 CA TRP A 48 3.272 -2.590 4.785 1.00 0.00 C ATOM 733 C TRP A 48 4.790 -2.662 4.813 1.00 0.00 C ATOM 734 O TRP A 48 5.467 -1.662 5.052 1.00 0.00 O ATOM 735 CB TRP A 48 2.686 -3.147 6.084 1.00 0.00 C ATOM 736 CG TRP A 48 3.150 -2.414 7.308 1.00 0.00 C ATOM 737 CD1 TRP A 48 3.520 -2.966 8.500 1.00 0.00 C ATOM 738 CD2 TRP A 48 3.296 -0.993 7.460 1.00 0.00 C ATOM 739 NE1 TRP A 48 3.888 -1.980 9.384 1.00 0.00 N ATOM 740 CE2 TRP A 48 3.760 -0.762 8.770 1.00 0.00 C ATOM 741 CE3 TRP A 48 3.083 0.106 6.620 1.00 0.00 C ATOM 742 CZ2 TRP A 48 4.012 0.519 9.255 1.00 0.00 C ATOM 743 CZ3 TRP A 48 3.334 1.374 7.102 1.00 0.00 C ATOM 744 CH2 TRP A 48 3.795 1.573 8.409 1.00 0.00 C ATOM 0 H TRP A 48 2.280 -4.184 3.856 1.00 0.00 H new ATOM 0 HA TRP A 48 2.967 -1.547 4.700 1.00 0.00 H new ATOM 0 HB2 TRP A 48 1.598 -3.101 6.032 1.00 0.00 H new ATOM 0 HB3 TRP A 48 2.957 -4.199 6.175 1.00 0.00 H new ATOM 0 HD1 TRP A 48 3.523 -4.024 8.717 1.00 0.00 H new ATOM 0 HE1 TRP A 48 4.205 -2.131 10.342 1.00 0.00 H new ATOM 0 HE3 TRP A 48 2.728 -0.036 5.610 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 4.366 0.675 10.263 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 3.172 2.228 6.460 1.00 0.00 H new ATOM 0 HH2 TRP A 48 3.983 2.578 8.757 1.00 0.00 H new ATOM 755 N GLN A 49 5.321 -3.850 4.538 1.00 0.00 N ATOM 756 CA GLN A 49 6.762 -4.045 4.502 1.00 0.00 C ATOM 757 C GLN A 49 7.365 -3.148 3.429 1.00 0.00 C ATOM 758 O GLN A 49 8.467 -2.621 3.585 1.00 0.00 O ATOM 759 CB GLN A 49 7.100 -5.512 4.222 1.00 0.00 C ATOM 760 CG GLN A 49 7.842 -6.193 5.361 1.00 0.00 C ATOM 761 CD GLN A 49 7.037 -6.220 6.646 1.00 0.00 C ATOM 762 OE1 GLN A 49 7.480 -5.721 7.680 1.00 0.00 O ATOM 763 NE2 GLN A 49 5.847 -6.806 6.586 1.00 0.00 N ATOM 0 H GLN A 49 4.775 -4.688 4.338 1.00 0.00 H new ATOM 0 HA GLN A 49 7.183 -3.781 5.472 1.00 0.00 H new ATOM 0 HB2 GLN A 49 6.177 -6.057 4.023 1.00 0.00 H new ATOM 0 HB3 GLN A 49 7.706 -5.571 3.318 1.00 0.00 H new ATOM 0 HG2 GLN A 49 8.089 -7.214 5.070 1.00 0.00 H new ATOM 0 HG3 GLN A 49 8.784 -5.675 5.538 1.00 0.00 H new ATOM 0 HE21 GLN A 49 5.520 -7.207 5.707 1.00 0.00 H new ATOM 0 HE22 GLN A 49 5.260 -6.855 7.419 1.00 0.00 H new ATOM 772 N TRP A 50 6.614 -2.964 2.345 1.00 0.00 N ATOM 773 CA TRP A 50 7.050 -2.114 1.249 1.00 0.00 C ATOM 774 C TRP A 50 7.079 -0.658 1.699 1.00 0.00 C ATOM 775 O TRP A 50 8.020 0.074 1.399 1.00 0.00 O ATOM 776 CB TRP A 50 6.120 -2.274 0.045 1.00 0.00 C ATOM 777 CG TRP A 50 6.553 -1.480 -1.150 1.00 0.00 C ATOM 778 CD1 TRP A 50 7.703 -1.639 -1.867 1.00 0.00 C ATOM 779 CD2 TRP A 50 5.841 -0.401 -1.767 1.00 0.00 C ATOM 780 NE1 TRP A 50 7.751 -0.725 -2.891 1.00 0.00 N ATOM 781 CE2 TRP A 50 6.620 0.046 -2.852 1.00 0.00 C ATOM 782 CE3 TRP A 50 4.621 0.231 -1.509 1.00 0.00 C ATOM 783 CZ2 TRP A 50 6.217 1.095 -3.675 1.00 0.00 C ATOM 784 CZ3 TRP A 50 4.223 1.271 -2.327 1.00 0.00 C ATOM 785 CH2 TRP A 50 5.019 1.694 -3.399 1.00 0.00 C ATOM 0 H TRP A 50 5.700 -3.395 2.206 1.00 0.00 H new ATOM 0 HA TRP A 50 8.055 -2.415 0.953 1.00 0.00 H new ATOM 0 HB2 TRP A 50 6.068 -3.328 -0.227 1.00 0.00 H new ATOM 0 HB3 TRP A 50 5.113 -1.969 0.330 1.00 0.00 H new ATOM 0 HD1 TRP A 50 8.465 -2.376 -1.660 1.00 0.00 H new ATOM 0 HE1 TRP A 50 8.507 -0.635 -3.570 1.00 0.00 H new ATOM 0 HE3 TRP A 50 4.000 -0.088 -0.685 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 6.829 1.424 -4.502 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 3.282 1.766 -2.137 1.00 0.00 H new ATOM 0 HH2 TRP A 50 4.680 2.510 -4.020 1.00 0.00 H new ATOM 796 N ARG A 51 6.043 -0.248 2.429 1.00 0.00 N ATOM 797 CA ARG A 51 5.957 1.122 2.930 1.00 0.00 C ATOM 798 C ARG A 51 7.128 1.436 3.855 1.00 0.00 C ATOM 799 O ARG A 51 7.719 2.514 3.786 1.00 0.00 O ATOM 800 CB ARG A 51 4.644 1.334 3.688 1.00 0.00 C ATOM 801 CG ARG A 51 4.218 2.790 3.768 1.00 0.00 C ATOM 802 CD ARG A 51 4.889 3.504 4.932 1.00 0.00 C ATOM 803 NE ARG A 51 5.934 4.421 4.482 1.00 0.00 N ATOM 804 CZ ARG A 51 6.791 5.027 5.301 1.00 0.00 C ATOM 805 NH1 ARG A 51 6.730 4.818 6.610 1.00 0.00 N ATOM 806 NH2 ARG A 51 7.712 5.845 4.809 1.00 0.00 N ATOM 0 H ARG A 51 5.255 -0.842 2.686 1.00 0.00 H new ATOM 0 HA ARG A 51 5.992 1.793 2.072 1.00 0.00 H new ATOM 0 HB2 ARG A 51 3.856 0.759 3.201 1.00 0.00 H new ATOM 0 HB3 ARG A 51 4.749 0.939 4.698 1.00 0.00 H new ATOM 0 HG2 ARG A 51 4.470 3.296 2.836 1.00 0.00 H new ATOM 0 HG3 ARG A 51 3.135 2.848 3.880 1.00 0.00 H new ATOM 0 HD2 ARG A 51 4.140 4.058 5.498 1.00 0.00 H new ATOM 0 HD3 ARG A 51 5.320 2.767 5.609 1.00 0.00 H new ATOM 0 HE ARG A 51 6.011 4.608 3.482 1.00 0.00 H new ATOM 0 HH11 ARG A 51 6.024 4.190 6.994 1.00 0.00 H new ATOM 0 HH12 ARG A 51 7.389 5.285 7.232 1.00 0.00 H new ATOM 0 HH21 ARG A 51 7.763 6.009 3.804 1.00 0.00 H new ATOM 0 HH22 ARG A 51 8.369 6.310 5.436 1.00 0.00 H new ATOM 820 N LYS A 52 7.453 0.484 4.721 1.00 0.00 N ATOM 821 CA LYS A 52 8.550 0.647 5.669 1.00 0.00 C ATOM 822 C LYS A 52 9.888 0.621 4.947 1.00 0.00 C ATOM 823 O LYS A 52 10.848 1.268 5.365 1.00 0.00 O ATOM 824 CB LYS A 52 8.505 -0.455 6.730 1.00 0.00 C ATOM 825 CG LYS A 52 7.177 -0.535 7.466 1.00 0.00 C ATOM 826 CD LYS A 52 7.371 -0.896 8.930 1.00 0.00 C ATOM 827 CE LYS A 52 7.009 -2.347 9.200 1.00 0.00 C ATOM 828 NZ LYS A 52 8.198 -3.240 9.119 1.00 0.00 N ATOM 0 H LYS A 52 6.971 -0.412 4.787 1.00 0.00 H new ATOM 0 HA LYS A 52 8.438 1.614 6.160 1.00 0.00 H new ATOM 0 HB2 LYS A 52 8.706 -1.415 6.254 1.00 0.00 H new ATOM 0 HB3 LYS A 52 9.302 -0.285 7.453 1.00 0.00 H new ATOM 0 HG2 LYS A 52 6.661 0.422 7.392 1.00 0.00 H new ATOM 0 HG3 LYS A 52 6.540 -1.279 6.988 1.00 0.00 H new ATOM 0 HD2 LYS A 52 8.408 -0.720 9.215 1.00 0.00 H new ATOM 0 HD3 LYS A 52 6.755 -0.245 9.551 1.00 0.00 H new ATOM 0 HE2 LYS A 52 6.559 -2.431 10.189 1.00 0.00 H new ATOM 0 HE3 LYS A 52 6.259 -2.674 8.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 7.947 -4.106 8.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 8.968 -2.749 8.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 8.511 -3.489 10.079 1.00 0.00 H new ATOM 842 N SER A 53 9.937 -0.120 3.847 1.00 0.00 N ATOM 843 CA SER A 53 11.148 -0.219 3.048 1.00 0.00 C ATOM 844 C SER A 53 11.173 0.881 1.991 1.00 0.00 C ATOM 845 O SER A 53 12.197 1.118 1.351 1.00 0.00 O ATOM 846 CB SER A 53 11.236 -1.592 2.379 1.00 0.00 C ATOM 847 OG SER A 53 11.858 -2.536 3.233 1.00 0.00 O ATOM 0 H SER A 53 9.150 -0.661 3.489 1.00 0.00 H new ATOM 0 HA SER A 53 12.008 -0.096 3.706 1.00 0.00 H new ATOM 0 HB2 SER A 53 10.236 -1.937 2.117 1.00 0.00 H new ATOM 0 HB3 SER A 53 11.799 -1.512 1.449 1.00 0.00 H new ATOM 0 HG SER A 53 11.901 -3.406 2.783 1.00 0.00 H new ATOM 853 N LEU A 54 10.035 1.551 1.814 1.00 0.00 N ATOM 854 CA LEU A 54 9.928 2.627 0.834 1.00 0.00 C ATOM 855 C LEU A 54 10.801 3.812 1.232 1.00 0.00 C ATOM 856 O LEU A 54 10.787 4.827 0.504 1.00 0.00 O ATOM 857 CB LEU A 54 8.473 3.076 0.691 1.00 0.00 C ATOM 858 CG LEU A 54 8.073 3.541 -0.710 1.00 0.00 C ATOM 859 CD1 LEU A 54 8.385 2.464 -1.738 1.00 0.00 C ATOM 860 CD2 LEU A 54 6.597 3.905 -0.749 1.00 0.00 C ATOM 861 OXT LEU A 54 11.491 3.717 2.269 1.00 0.00 O ATOM 0 H LEU A 54 9.178 1.367 2.335 1.00 0.00 H new ATOM 0 HA LEU A 54 10.277 2.246 -0.126 1.00 0.00 H new ATOM 0 HB2 LEU A 54 7.824 2.250 0.982 1.00 0.00 H new ATOM 0 HB3 LEU A 54 8.289 3.889 1.393 1.00 0.00 H new ATOM 0 HG LEU A 54 8.653 4.430 -0.957 1.00 0.00 H new ATOM 0 HD11 LEU A 54 8.094 2.812 -2.729 1.00 0.00 H new ATOM 0 HD12 LEU A 54 9.454 2.250 -1.728 1.00 0.00 H new ATOM 0 HD13 LEU A 54 7.831 1.557 -1.495 1.00 0.00 H new ATOM 0 HD21 LEU A 54 6.330 4.234 -1.753 1.00 0.00 H new ATOM 0 HD22 LEU A 54 6.000 3.033 -0.482 1.00 0.00 H new ATOM 0 HD23 LEU A 54 6.402 4.710 -0.040 1.00 0.00 H new TER 873 LEU A 54