USER MOD reduce.3.24.130724 H: found=0, std=0, add=441, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 440 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -163:sc= 0 (180deg=-0.169) USER MOD Single : A 2 SER OG : rot -65:sc= 1.17 USER MOD Single : A 6 SER OG : rot -50:sc= 0.00201 USER MOD Single : A 9 THR OG1 : rot 49:sc= -0.274 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 34:sc= 0.524 USER MOD Single : A 21 SER OG : rot 78:sc= 0.00543 USER MOD Single : A 32 THR OG1 : rot 56:sc= 1.23 USER MOD Single : A 38 SER OG : rot 78:sc= 0.206 USER MOD Single : A 39 HIS : no HD1:sc= 0 X(o=0,f=-0.0055) USER MOD Single : A 44 LYS NZ :NH3+ -154:sc= -0.0113 (180deg=-0.261) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.640 23.239 -17.293 1.00 0.00 N ATOM 2 CA MET A 1 -12.165 23.433 -18.693 1.00 0.00 C ATOM 3 C MET A 1 -11.442 22.175 -19.160 1.00 0.00 C ATOM 4 O MET A 1 -12.008 21.360 -19.889 1.00 0.00 O ATOM 5 CB MET A 1 -11.217 24.632 -18.747 1.00 0.00 C ATOM 6 CG MET A 1 -12.027 25.926 -18.676 1.00 0.00 C ATOM 7 SD MET A 1 -10.906 27.326 -18.424 1.00 0.00 S ATOM 8 CE MET A 1 -12.133 28.484 -17.773 1.00 0.00 C ATOM 0 H1 MET A 1 -13.365 23.951 -17.070 1.00 0.00 H new ATOM 0 H2 MET A 1 -13.048 22.287 -17.193 1.00 0.00 H new ATOM 0 H3 MET A 1 -11.840 23.343 -16.637 1.00 0.00 H new ATOM 0 HA MET A 1 -13.016 23.621 -19.348 1.00 0.00 H new ATOM 0 HB2 MET A 1 -10.510 24.587 -17.919 1.00 0.00 H new ATOM 0 HB3 MET A 1 -10.633 24.606 -19.667 1.00 0.00 H new ATOM 0 HG2 MET A 1 -12.596 26.063 -19.596 1.00 0.00 H new ATOM 0 HG3 MET A 1 -12.748 25.872 -17.860 1.00 0.00 H new ATOM 0 HE1 MET A 1 -11.651 29.435 -17.545 1.00 0.00 H new ATOM 0 HE2 MET A 1 -12.914 28.643 -18.517 1.00 0.00 H new ATOM 0 HE3 MET A 1 -12.575 28.074 -16.865 1.00 0.00 H new ATOM 20 N SER A 2 -10.191 22.025 -18.736 1.00 0.00 N ATOM 21 CA SER A 2 -9.395 20.861 -19.115 1.00 0.00 C ATOM 22 C SER A 2 -8.748 20.229 -17.887 1.00 0.00 C ATOM 23 O SER A 2 -7.676 19.630 -17.977 1.00 0.00 O ATOM 24 CB SER A 2 -8.311 21.275 -20.111 1.00 0.00 C ATOM 25 OG SER A 2 -7.505 20.146 -20.420 1.00 0.00 O ATOM 0 H SER A 2 -9.708 22.691 -18.133 1.00 0.00 H new ATOM 0 HA SER A 2 -10.055 20.128 -19.579 1.00 0.00 H new ATOM 0 HB2 SER A 2 -8.766 21.671 -21.019 1.00 0.00 H new ATOM 0 HB3 SER A 2 -7.697 22.071 -19.689 1.00 0.00 H new ATOM 0 HG SER A 2 -7.025 19.857 -19.616 1.00 0.00 H new ATOM 31 N GLU A 3 -9.408 20.362 -16.742 1.00 0.00 N ATOM 32 CA GLU A 3 -8.889 19.795 -15.503 1.00 0.00 C ATOM 33 C GLU A 3 -10.033 19.305 -14.619 1.00 0.00 C ATOM 34 O GLU A 3 -10.242 19.816 -13.517 1.00 0.00 O ATOM 35 CB GLU A 3 -8.072 20.844 -14.749 1.00 0.00 C ATOM 36 CG GLU A 3 -7.253 20.162 -13.653 1.00 0.00 C ATOM 37 CD GLU A 3 -6.679 21.209 -12.704 1.00 0.00 C ATOM 38 OE1 GLU A 3 -7.435 22.065 -12.272 1.00 0.00 O ATOM 39 OE2 GLU A 3 -5.494 21.140 -12.422 1.00 0.00 O ATOM 0 H GLU A 3 -10.297 20.853 -16.646 1.00 0.00 H new ATOM 0 HA GLU A 3 -8.249 18.949 -15.753 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -7.411 21.369 -15.438 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -8.735 21.591 -14.311 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -7.881 19.463 -13.100 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -6.445 19.581 -14.099 1.00 0.00 H new ATOM 46 N PRO A 4 -10.773 18.334 -15.084 1.00 0.00 N ATOM 47 CA PRO A 4 -11.921 17.761 -14.329 1.00 0.00 C ATOM 48 C PRO A 4 -11.469 16.830 -13.208 1.00 0.00 C ATOM 49 O PRO A 4 -11.955 16.919 -12.081 1.00 0.00 O ATOM 50 CB PRO A 4 -12.703 16.994 -15.394 1.00 0.00 C ATOM 51 CG PRO A 4 -11.704 16.628 -16.443 1.00 0.00 C ATOM 52 CD PRO A 4 -10.590 17.674 -16.386 1.00 0.00 C ATOM 0 HA PRO A 4 -12.510 18.532 -13.831 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -13.171 16.105 -14.972 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -13.502 17.607 -15.811 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -11.305 15.630 -16.263 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -12.168 16.613 -17.429 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -9.606 17.211 -16.462 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -10.671 18.386 -17.207 1.00 0.00 H new ATOM 60 N VAL A 5 -10.538 15.936 -13.527 1.00 0.00 N ATOM 61 CA VAL A 5 -10.027 14.991 -12.540 1.00 0.00 C ATOM 62 C VAL A 5 -11.161 14.473 -11.661 1.00 0.00 C ATOM 63 O VAL A 5 -11.377 14.969 -10.555 1.00 0.00 O ATOM 64 CB VAL A 5 -8.968 15.667 -11.668 1.00 0.00 C ATOM 65 CG1 VAL A 5 -8.364 14.640 -10.709 1.00 0.00 C ATOM 66 CG2 VAL A 5 -7.866 16.243 -12.559 1.00 0.00 C ATOM 0 H VAL A 5 -10.124 15.846 -14.455 1.00 0.00 H new ATOM 0 HA VAL A 5 -9.577 14.150 -13.067 1.00 0.00 H new ATOM 0 HB VAL A 5 -9.429 16.471 -11.095 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -7.609 15.122 -10.088 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -9.149 14.230 -10.074 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -7.903 13.835 -11.281 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -7.111 16.725 -11.938 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -7.405 15.439 -13.133 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -8.296 16.976 -13.242 1.00 0.00 H new ATOM 76 N SER A 6 -11.882 13.475 -12.161 1.00 0.00 N ATOM 77 CA SER A 6 -12.993 12.899 -11.410 1.00 0.00 C ATOM 78 C SER A 6 -14.077 13.944 -11.172 1.00 0.00 C ATOM 79 O SER A 6 -14.963 13.754 -10.339 1.00 0.00 O ATOM 80 CB SER A 6 -12.494 12.365 -10.068 1.00 0.00 C ATOM 81 OG SER A 6 -13.327 11.294 -9.649 1.00 0.00 O ATOM 0 H SER A 6 -11.720 13.051 -13.074 1.00 0.00 H new ATOM 0 HA SER A 6 -13.415 12.080 -11.992 1.00 0.00 H new ATOM 0 HB2 SER A 6 -11.463 12.024 -10.160 1.00 0.00 H new ATOM 0 HB3 SER A 6 -12.501 13.160 -9.322 1.00 0.00 H new ATOM 0 HG SER A 6 -14.266 11.570 -9.701 1.00 0.00 H new ATOM 87 N LEU A 7 -14.001 15.047 -11.909 1.00 0.00 N ATOM 88 CA LEU A 7 -14.982 16.118 -11.768 1.00 0.00 C ATOM 89 C LEU A 7 -14.949 16.690 -10.355 1.00 0.00 C ATOM 90 O LEU A 7 -15.981 17.074 -9.806 1.00 0.00 O ATOM 91 CB LEU A 7 -16.385 15.586 -12.070 1.00 0.00 C ATOM 92 CG LEU A 7 -17.188 16.655 -12.813 1.00 0.00 C ATOM 93 CD1 LEU A 7 -16.808 16.647 -14.294 1.00 0.00 C ATOM 94 CD2 LEU A 7 -18.683 16.358 -12.671 1.00 0.00 C ATOM 0 H LEU A 7 -13.276 15.223 -12.605 1.00 0.00 H new ATOM 0 HA LEU A 7 -14.733 16.908 -12.476 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -16.320 14.680 -12.673 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -16.890 15.316 -11.143 1.00 0.00 H new ATOM 0 HG LEU A 7 -16.967 17.634 -12.388 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -17.382 17.410 -14.821 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -15.744 16.857 -14.398 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -17.028 15.668 -14.721 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -19.257 17.119 -13.200 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -18.901 15.378 -13.096 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -18.957 16.365 -11.616 1.00 0.00 H new ATOM 106 N LEU A 8 -13.757 16.741 -9.772 1.00 0.00 N ATOM 107 CA LEU A 8 -13.601 17.266 -8.421 1.00 0.00 C ATOM 108 C LEU A 8 -13.383 18.767 -8.455 1.00 0.00 C ATOM 109 O LEU A 8 -12.446 19.238 -9.107 1.00 0.00 O ATOM 110 CB LEU A 8 -12.406 16.602 -7.737 1.00 0.00 C ATOM 111 CG LEU A 8 -12.892 15.791 -6.536 1.00 0.00 C ATOM 112 CD1 LEU A 8 -11.721 15.009 -5.939 1.00 0.00 C ATOM 113 CD2 LEU A 8 -13.461 16.740 -5.479 1.00 0.00 C ATOM 0 H LEU A 8 -12.891 16.428 -10.210 1.00 0.00 H new ATOM 0 HA LEU A 8 -14.512 17.049 -7.863 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -11.885 15.953 -8.441 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -11.692 17.359 -7.413 1.00 0.00 H new ATOM 0 HG LEU A 8 -13.667 15.095 -6.857 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -12.068 14.431 -5.083 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -11.313 14.334 -6.691 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -10.946 15.704 -5.617 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -13.808 16.163 -4.622 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -12.685 17.435 -5.159 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -14.296 17.298 -5.903 1.00 0.00 H new ATOM 125 N THR A 9 -14.258 19.507 -7.753 1.00 0.00 N ATOM 126 CA THR A 9 -14.171 20.966 -7.705 1.00 0.00 C ATOM 127 C THR A 9 -12.713 21.420 -7.828 1.00 0.00 C ATOM 128 O THR A 9 -11.977 21.444 -6.840 1.00 0.00 O ATOM 129 CB THR A 9 -14.754 21.487 -6.399 1.00 0.00 C ATOM 130 OG1 THR A 9 -14.353 20.650 -5.326 1.00 0.00 O ATOM 131 CG2 THR A 9 -16.279 21.502 -6.511 1.00 0.00 C ATOM 0 H THR A 9 -15.030 19.114 -7.214 1.00 0.00 H new ATOM 0 HA THR A 9 -14.743 21.369 -8.541 1.00 0.00 H new ATOM 0 HB THR A 9 -14.391 22.497 -6.208 1.00 0.00 H new ATOM 0 HG1 THR A 9 -13.386 20.496 -5.375 1.00 0.00 H new ATOM 0 HG21 THR A 9 -16.709 21.874 -5.581 1.00 0.00 H new ATOM 0 HG22 THR A 9 -16.577 22.152 -7.334 1.00 0.00 H new ATOM 0 HG23 THR A 9 -16.640 20.491 -6.699 1.00 0.00 H new ATOM 139 N PRO A 10 -12.275 21.755 -9.020 1.00 0.00 N ATOM 140 CA PRO A 10 -10.868 22.195 -9.264 1.00 0.00 C ATOM 141 C PRO A 10 -10.450 23.340 -8.342 1.00 0.00 C ATOM 142 O PRO A 10 -9.286 23.450 -7.960 1.00 0.00 O ATOM 143 CB PRO A 10 -10.879 22.652 -10.728 1.00 0.00 C ATOM 144 CG PRO A 10 -12.032 21.949 -11.356 1.00 0.00 C ATOM 145 CD PRO A 10 -13.065 21.759 -10.262 1.00 0.00 C ATOM 0 HA PRO A 10 -10.152 21.397 -9.065 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -10.992 23.734 -10.801 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -9.944 22.395 -11.226 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -12.442 22.534 -12.180 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -11.723 20.989 -11.769 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -13.801 22.563 -10.264 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -13.613 20.825 -10.389 1.00 0.00 H new ATOM 153 N SER A 11 -11.410 24.189 -7.992 1.00 0.00 N ATOM 154 CA SER A 11 -11.133 25.322 -7.118 1.00 0.00 C ATOM 155 C SER A 11 -10.840 24.846 -5.698 1.00 0.00 C ATOM 156 O SER A 11 -10.224 25.563 -4.910 1.00 0.00 O ATOM 157 CB SER A 11 -12.329 26.274 -7.102 1.00 0.00 C ATOM 158 OG SER A 11 -12.677 26.612 -8.439 1.00 0.00 O ATOM 0 H SER A 11 -12.380 24.115 -8.298 1.00 0.00 H new ATOM 0 HA SER A 11 -10.257 25.846 -7.501 1.00 0.00 H new ATOM 0 HB2 SER A 11 -13.176 25.805 -6.601 1.00 0.00 H new ATOM 0 HB3 SER A 11 -12.084 27.175 -6.539 1.00 0.00 H new ATOM 0 HG SER A 11 -13.445 27.221 -8.433 1.00 0.00 H new ATOM 164 N ASP A 12 -11.287 23.638 -5.380 1.00 0.00 N ATOM 165 CA ASP A 12 -11.068 23.077 -4.051 1.00 0.00 C ATOM 166 C ASP A 12 -9.801 22.237 -4.029 1.00 0.00 C ATOM 167 O ASP A 12 -9.127 22.140 -3.004 1.00 0.00 O ATOM 168 CB ASP A 12 -12.263 22.215 -3.644 1.00 0.00 C ATOM 169 CG ASP A 12 -12.675 22.540 -2.211 1.00 0.00 C ATOM 170 OD1 ASP A 12 -11.905 22.244 -1.312 1.00 0.00 O ATOM 171 OD2 ASP A 12 -13.756 23.079 -2.037 1.00 0.00 O ATOM 0 H ASP A 12 -11.800 23.030 -6.019 1.00 0.00 H new ATOM 0 HA ASP A 12 -10.957 23.899 -3.344 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -13.098 22.394 -4.321 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -12.006 21.159 -3.727 1.00 0.00 H new ATOM 176 N LEU A 13 -9.485 21.622 -5.163 1.00 0.00 N ATOM 177 CA LEU A 13 -8.299 20.784 -5.259 1.00 0.00 C ATOM 178 C LEU A 13 -7.133 21.418 -4.521 1.00 0.00 C ATOM 179 O LEU A 13 -6.590 22.433 -4.961 1.00 0.00 O ATOM 180 CB LEU A 13 -7.919 20.576 -6.732 1.00 0.00 C ATOM 181 CG LEU A 13 -7.814 19.080 -7.042 1.00 0.00 C ATOM 182 CD1 LEU A 13 -6.787 18.436 -6.108 1.00 0.00 C ATOM 183 CD2 LEU A 13 -9.181 18.420 -6.839 1.00 0.00 C ATOM 0 H LEU A 13 -10.030 21.688 -6.023 1.00 0.00 H new ATOM 0 HA LEU A 13 -8.524 19.821 -4.801 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.667 21.037 -7.377 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -6.969 21.067 -6.943 1.00 0.00 H new ATOM 0 HG LEU A 13 -7.497 18.943 -8.076 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -6.712 17.371 -6.328 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -5.815 18.907 -6.256 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -7.101 18.571 -5.073 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -9.107 17.355 -7.059 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -9.501 18.555 -5.806 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -9.910 18.879 -7.507 1.00 0.00 H new ATOM 195 N ASP A 14 -6.751 20.809 -3.399 1.00 0.00 N ATOM 196 CA ASP A 14 -5.646 21.321 -2.602 1.00 0.00 C ATOM 197 C ASP A 14 -4.552 20.264 -2.453 1.00 0.00 C ATOM 198 O ASP A 14 -4.803 19.070 -2.610 1.00 0.00 O ATOM 199 CB ASP A 14 -6.148 21.737 -1.218 1.00 0.00 C ATOM 200 CG ASP A 14 -6.203 23.256 -1.121 1.00 0.00 C ATOM 201 OD1 ASP A 14 -6.933 23.854 -1.894 1.00 0.00 O ATOM 202 OD2 ASP A 14 -5.512 23.803 -0.275 1.00 0.00 O ATOM 0 H ASP A 14 -7.189 19.967 -3.026 1.00 0.00 H new ATOM 0 HA ASP A 14 -5.228 22.188 -3.113 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -7.138 21.317 -1.039 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -5.488 21.338 -0.447 1.00 0.00 H new ATOM 207 N PRO A 15 -3.354 20.686 -2.152 1.00 0.00 N ATOM 208 CA PRO A 15 -2.194 19.764 -1.976 1.00 0.00 C ATOM 209 C PRO A 15 -2.380 18.826 -0.789 1.00 0.00 C ATOM 210 O PRO A 15 -1.898 17.694 -0.801 1.00 0.00 O ATOM 211 CB PRO A 15 -1.007 20.708 -1.748 1.00 0.00 C ATOM 212 CG PRO A 15 -1.604 21.992 -1.282 1.00 0.00 C ATOM 213 CD PRO A 15 -2.970 22.090 -1.945 1.00 0.00 C ATOM 0 HA PRO A 15 -2.061 19.107 -2.836 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -0.320 20.302 -1.006 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -0.437 20.850 -2.666 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -1.696 22.007 -0.196 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -0.975 22.837 -1.560 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -3.687 22.613 -1.312 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -2.920 22.635 -2.887 1.00 0.00 H new ATOM 221 N LEU A 16 -3.079 19.306 0.234 1.00 0.00 N ATOM 222 CA LEU A 16 -3.319 18.501 1.426 1.00 0.00 C ATOM 223 C LEU A 16 -4.139 17.264 1.084 1.00 0.00 C ATOM 224 O LEU A 16 -3.758 16.141 1.416 1.00 0.00 O ATOM 225 CB LEU A 16 -4.057 19.335 2.478 1.00 0.00 C ATOM 226 CG LEU A 16 -3.226 19.391 3.762 1.00 0.00 C ATOM 227 CD1 LEU A 16 -3.935 20.272 4.792 1.00 0.00 C ATOM 228 CD2 LEU A 16 -3.059 17.977 4.332 1.00 0.00 C ATOM 0 H LEU A 16 -3.486 20.241 0.262 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.357 18.181 1.826 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -4.232 20.343 2.101 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -5.034 18.898 2.684 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.245 19.809 3.537 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.343 20.311 5.706 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -4.051 21.279 4.391 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -4.917 19.854 5.014 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.467 18.021 5.246 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.040 17.556 4.555 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.552 17.348 3.601 1.00 0.00 H new ATOM 240 N ILE A 17 -5.267 17.477 0.416 1.00 0.00 N ATOM 241 CA ILE A 17 -6.137 16.373 0.032 1.00 0.00 C ATOM 242 C ILE A 17 -5.449 15.486 -1.000 1.00 0.00 C ATOM 243 O ILE A 17 -5.648 14.272 -1.020 1.00 0.00 O ATOM 244 CB ILE A 17 -7.446 16.913 -0.547 1.00 0.00 C ATOM 245 CG1 ILE A 17 -8.140 17.795 0.496 1.00 0.00 C ATOM 246 CG2 ILE A 17 -8.363 15.745 -0.914 1.00 0.00 C ATOM 247 CD1 ILE A 17 -9.139 18.719 -0.201 1.00 0.00 C ATOM 0 H ILE A 17 -5.599 18.398 0.131 1.00 0.00 H new ATOM 0 HA ILE A 17 -6.353 15.780 0.920 1.00 0.00 H new ATOM 0 HB ILE A 17 -7.232 17.502 -1.439 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -8.654 17.174 1.229 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -7.401 18.384 1.039 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -9.296 16.130 -1.326 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -7.871 15.115 -1.655 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -8.577 15.156 -0.022 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -9.633 19.347 0.541 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -8.613 19.350 -0.917 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -9.885 18.120 -0.724 1.00 0.00 H new ATOM 259 N LEU A 18 -4.639 16.103 -1.855 1.00 0.00 N ATOM 260 CA LEU A 18 -3.924 15.361 -2.887 1.00 0.00 C ATOM 261 C LEU A 18 -2.973 14.347 -2.255 1.00 0.00 C ATOM 262 O LEU A 18 -2.913 13.192 -2.673 1.00 0.00 O ATOM 263 CB LEU A 18 -3.130 16.326 -3.770 1.00 0.00 C ATOM 264 CG LEU A 18 -3.507 16.104 -5.236 1.00 0.00 C ATOM 265 CD1 LEU A 18 -2.735 17.089 -6.116 1.00 0.00 C ATOM 266 CD2 LEU A 18 -3.149 14.672 -5.642 1.00 0.00 C ATOM 0 H LEU A 18 -4.462 17.108 -1.854 1.00 0.00 H new ATOM 0 HA LEU A 18 -4.654 14.828 -3.497 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.340 17.356 -3.481 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.061 16.167 -3.630 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.578 16.263 -5.364 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.003 16.931 -7.161 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.986 18.109 -5.827 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -1.664 16.929 -5.988 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -3.417 14.512 -6.686 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.078 14.514 -5.514 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -3.697 13.968 -5.015 1.00 0.00 H new ATOM 278 N THR A 19 -2.233 14.788 -1.244 1.00 0.00 N ATOM 279 CA THR A 19 -1.289 13.908 -0.564 1.00 0.00 C ATOM 280 C THR A 19 -2.024 12.755 0.112 1.00 0.00 C ATOM 281 O THR A 19 -1.587 11.605 0.048 1.00 0.00 O ATOM 282 CB THR A 19 -0.501 14.699 0.482 1.00 0.00 C ATOM 283 OG1 THR A 19 -1.365 15.629 1.121 1.00 0.00 O ATOM 284 CG2 THR A 19 0.646 15.449 -0.199 1.00 0.00 C ATOM 0 H THR A 19 -2.267 15.740 -0.880 1.00 0.00 H new ATOM 0 HA THR A 19 -0.601 13.500 -1.304 1.00 0.00 H new ATOM 0 HB THR A 19 -0.093 14.013 1.224 1.00 0.00 H new ATOM 0 HG1 THR A 19 -2.265 15.246 1.189 1.00 0.00 H new ATOM 0 HG21 THR A 19 1.206 16.012 0.547 1.00 0.00 H new ATOM 0 HG22 THR A 19 1.309 14.735 -0.688 1.00 0.00 H new ATOM 0 HG23 THR A 19 0.241 16.135 -0.943 1.00 0.00 H new ATOM 292 N LEU A 20 -3.142 13.071 0.756 1.00 0.00 N ATOM 293 CA LEU A 20 -3.931 12.052 1.439 1.00 0.00 C ATOM 294 C LEU A 20 -4.358 10.962 0.460 1.00 0.00 C ATOM 295 O LEU A 20 -4.214 9.772 0.739 1.00 0.00 O ATOM 296 CB LEU A 20 -5.172 12.688 2.071 1.00 0.00 C ATOM 297 CG LEU A 20 -5.826 11.693 3.035 1.00 0.00 C ATOM 298 CD1 LEU A 20 -5.259 11.890 4.441 1.00 0.00 C ATOM 299 CD2 LEU A 20 -7.338 11.927 3.055 1.00 0.00 C ATOM 0 H LEU A 20 -3.520 14.016 0.820 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.316 11.604 2.219 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.895 13.598 2.604 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -5.880 12.977 1.295 1.00 0.00 H new ATOM 0 HG LEU A 20 -5.618 10.676 2.703 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.726 11.181 5.124 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -4.182 11.723 4.426 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -5.464 12.906 4.777 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -7.806 11.220 3.740 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -7.544 12.945 3.386 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -7.742 11.783 2.053 1.00 0.00 H new ATOM 311 N SER A 21 -4.884 11.377 -0.687 1.00 0.00 N ATOM 312 CA SER A 21 -5.330 10.427 -1.699 1.00 0.00 C ATOM 313 C SER A 21 -4.170 9.539 -2.141 1.00 0.00 C ATOM 314 O SER A 21 -4.350 8.351 -2.406 1.00 0.00 O ATOM 315 CB SER A 21 -5.894 11.176 -2.906 1.00 0.00 C ATOM 316 OG SER A 21 -7.131 11.776 -2.548 1.00 0.00 O ATOM 0 H SER A 21 -5.011 12.357 -0.938 1.00 0.00 H new ATOM 0 HA SER A 21 -6.110 9.800 -1.268 1.00 0.00 H new ATOM 0 HB2 SER A 21 -5.189 11.938 -3.238 1.00 0.00 H new ATOM 0 HB3 SER A 21 -6.037 10.490 -3.740 1.00 0.00 H new ATOM 0 HG SER A 21 -6.962 12.591 -2.030 1.00 0.00 H new ATOM 322 N LEU A 22 -2.980 10.125 -2.216 1.00 0.00 N ATOM 323 CA LEU A 22 -1.796 9.379 -2.627 1.00 0.00 C ATOM 324 C LEU A 22 -1.547 8.210 -1.676 1.00 0.00 C ATOM 325 O LEU A 22 -1.406 7.065 -2.107 1.00 0.00 O ATOM 326 CB LEU A 22 -0.575 10.298 -2.636 1.00 0.00 C ATOM 327 CG LEU A 22 0.439 9.790 -3.661 1.00 0.00 C ATOM 328 CD1 LEU A 22 0.119 10.377 -5.038 1.00 0.00 C ATOM 329 CD2 LEU A 22 1.848 10.217 -3.241 1.00 0.00 C ATOM 0 H LEU A 22 -2.810 11.107 -1.999 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.964 8.991 -3.631 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.875 11.317 -2.880 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.122 10.328 -1.645 1.00 0.00 H new ATOM 0 HG LEU A 22 0.387 8.702 -3.710 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.844 10.013 -5.766 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.883 10.072 -5.340 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.168 11.465 -4.990 1.00 0.00 H new ATOM 0 HD21 LEU A 22 2.571 9.855 -3.972 1.00 0.00 H new ATOM 0 HD22 LEU A 22 1.898 11.305 -3.189 1.00 0.00 H new ATOM 0 HD23 LEU A 22 2.079 9.796 -2.263 1.00 0.00 H new ATOM 341 N ILE A 23 -1.488 8.508 -0.383 1.00 0.00 N ATOM 342 CA ILE A 23 -1.254 7.474 0.618 1.00 0.00 C ATOM 343 C ILE A 23 -2.345 6.411 0.552 1.00 0.00 C ATOM 344 O ILE A 23 -2.071 5.218 0.680 1.00 0.00 O ATOM 345 CB ILE A 23 -1.224 8.097 2.016 1.00 0.00 C ATOM 346 CG1 ILE A 23 -0.205 9.238 2.044 1.00 0.00 C ATOM 347 CG2 ILE A 23 -0.825 7.033 3.041 1.00 0.00 C ATOM 348 CD1 ILE A 23 -0.308 9.985 3.375 1.00 0.00 C ATOM 0 H ILE A 23 -1.598 9.449 -0.005 1.00 0.00 H new ATOM 0 HA ILE A 23 -0.292 7.004 0.412 1.00 0.00 H new ATOM 0 HB ILE A 23 -2.212 8.485 2.261 1.00 0.00 H new ATOM 0 HG12 ILE A 23 0.802 8.843 1.914 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -0.388 9.923 1.216 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -0.804 7.477 4.036 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -1.550 6.219 3.022 1.00 0.00 H new ATOM 0 HG23 ILE A 23 0.163 6.644 2.796 1.00 0.00 H new ATOM 0 HD11 ILE A 23 0.418 10.797 3.393 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -1.312 10.394 3.486 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -0.104 9.297 4.195 1.00 0.00 H new ATOM 360 N LEU A 24 -3.581 6.854 0.354 1.00 0.00 N ATOM 361 CA LEU A 24 -4.707 5.930 0.273 1.00 0.00 C ATOM 362 C LEU A 24 -4.511 4.946 -0.875 1.00 0.00 C ATOM 363 O LEU A 24 -4.764 3.751 -0.730 1.00 0.00 O ATOM 364 CB LEU A 24 -6.008 6.709 0.065 1.00 0.00 C ATOM 365 CG LEU A 24 -7.113 6.104 0.935 1.00 0.00 C ATOM 366 CD1 LEU A 24 -6.923 6.544 2.389 1.00 0.00 C ATOM 367 CD2 LEU A 24 -8.477 6.585 0.432 1.00 0.00 C ATOM 0 H LEU A 24 -3.828 7.838 0.247 1.00 0.00 H new ATOM 0 HA LEU A 24 -4.764 5.372 1.208 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.861 7.758 0.323 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -6.299 6.677 -0.985 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.064 5.017 0.877 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -7.711 6.112 3.006 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -5.952 6.203 2.749 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.970 7.631 2.449 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -9.265 6.155 1.050 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -8.523 7.673 0.489 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -8.615 6.270 -0.602 1.00 0.00 H new ATOM 379 N VAL A 25 -4.062 5.459 -2.015 1.00 0.00 N ATOM 380 CA VAL A 25 -3.836 4.615 -3.182 1.00 0.00 C ATOM 381 C VAL A 25 -2.746 3.587 -2.896 1.00 0.00 C ATOM 382 O VAL A 25 -2.868 2.419 -3.266 1.00 0.00 O ATOM 383 CB VAL A 25 -3.429 5.476 -4.379 1.00 0.00 C ATOM 384 CG1 VAL A 25 -3.212 4.584 -5.603 1.00 0.00 C ATOM 385 CG2 VAL A 25 -4.536 6.489 -4.677 1.00 0.00 C ATOM 0 H VAL A 25 -3.849 6.447 -2.156 1.00 0.00 H new ATOM 0 HA VAL A 25 -4.763 4.090 -3.413 1.00 0.00 H new ATOM 0 HB VAL A 25 -2.504 6.004 -4.147 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -2.922 5.199 -6.455 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -2.423 3.862 -5.392 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -4.136 4.054 -5.836 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -4.247 7.103 -5.530 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -5.461 5.960 -4.907 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.690 7.126 -3.806 1.00 0.00 H new ATOM 395 N VAL A 26 -1.683 4.029 -2.234 1.00 0.00 N ATOM 396 CA VAL A 26 -0.576 3.137 -1.903 1.00 0.00 C ATOM 397 C VAL A 26 -1.073 1.958 -1.071 1.00 0.00 C ATOM 398 O VAL A 26 -0.687 0.814 -1.305 1.00 0.00 O ATOM 399 CB VAL A 26 0.493 3.902 -1.120 1.00 0.00 C ATOM 400 CG1 VAL A 26 1.566 2.926 -0.632 1.00 0.00 C ATOM 401 CG2 VAL A 26 1.136 4.954 -2.026 1.00 0.00 C ATOM 0 H VAL A 26 -1.563 4.991 -1.918 1.00 0.00 H new ATOM 0 HA VAL A 26 -0.146 2.759 -2.830 1.00 0.00 H new ATOM 0 HB VAL A 26 0.032 4.393 -0.263 1.00 0.00 H new ATOM 0 HG11 VAL A 26 2.327 3.471 -0.074 1.00 0.00 H new ATOM 0 HG12 VAL A 26 1.109 2.177 0.015 1.00 0.00 H new ATOM 0 HG13 VAL A 26 2.027 2.434 -1.488 1.00 0.00 H new ATOM 0 HG21 VAL A 26 1.897 5.499 -1.468 1.00 0.00 H new ATOM 0 HG22 VAL A 26 1.596 4.463 -2.884 1.00 0.00 H new ATOM 0 HG23 VAL A 26 0.373 5.651 -2.373 1.00 0.00 H new ATOM 411 N ILE A 27 -1.932 2.247 -0.099 1.00 0.00 N ATOM 412 CA ILE A 27 -2.475 1.200 0.760 1.00 0.00 C ATOM 413 C ILE A 27 -3.420 0.296 -0.026 1.00 0.00 C ATOM 414 O ILE A 27 -3.388 -0.927 0.119 1.00 0.00 O ATOM 415 CB ILE A 27 -3.226 1.827 1.935 1.00 0.00 C ATOM 416 CG1 ILE A 27 -2.239 2.593 2.819 1.00 0.00 C ATOM 417 CG2 ILE A 27 -3.897 0.726 2.759 1.00 0.00 C ATOM 418 CD1 ILE A 27 -2.941 3.805 3.435 1.00 0.00 C ATOM 0 H ILE A 27 -2.265 3.188 0.113 1.00 0.00 H new ATOM 0 HA ILE A 27 -1.647 0.600 1.136 1.00 0.00 H new ATOM 0 HB ILE A 27 -3.985 2.512 1.557 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -1.857 1.942 3.605 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -1.381 2.917 2.229 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -4.432 1.173 3.597 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -4.599 0.178 2.131 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -3.138 0.041 3.138 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -2.239 4.351 4.065 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -3.301 4.459 2.641 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -3.784 3.469 4.039 1.00 0.00 H new ATOM 430 N LEU A 28 -4.258 0.903 -0.857 1.00 0.00 N ATOM 431 CA LEU A 28 -5.208 0.140 -1.660 1.00 0.00 C ATOM 432 C LEU A 28 -4.475 -0.857 -2.552 1.00 0.00 C ATOM 433 O LEU A 28 -4.930 -1.985 -2.740 1.00 0.00 O ATOM 434 CB LEU A 28 -6.039 1.089 -2.526 1.00 0.00 C ATOM 435 CG LEU A 28 -7.472 1.145 -1.991 1.00 0.00 C ATOM 436 CD1 LEU A 28 -7.463 1.649 -0.546 1.00 0.00 C ATOM 437 CD2 LEU A 28 -8.301 2.097 -2.857 1.00 0.00 C ATOM 0 H LEU A 28 -4.300 1.913 -0.993 1.00 0.00 H new ATOM 0 HA LEU A 28 -5.867 -0.408 -0.987 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -5.598 2.086 -2.519 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -6.039 0.748 -3.561 1.00 0.00 H new ATOM 0 HG LEU A 28 -7.909 0.147 -2.023 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -8.485 1.688 -0.168 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -6.873 0.972 0.072 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -7.025 2.647 -0.511 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -9.322 2.138 -2.478 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -7.861 3.094 -2.825 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -8.311 1.738 -3.886 1.00 0.00 H new ATOM 449 N VAL A 29 -3.339 -0.432 -3.096 1.00 0.00 N ATOM 450 CA VAL A 29 -2.552 -1.297 -3.966 1.00 0.00 C ATOM 451 C VAL A 29 -1.941 -2.446 -3.169 1.00 0.00 C ATOM 452 O VAL A 29 -1.903 -3.585 -3.633 1.00 0.00 O ATOM 453 CB VAL A 29 -1.440 -0.490 -4.637 1.00 0.00 C ATOM 454 CG1 VAL A 29 -0.386 -1.441 -5.206 1.00 0.00 C ATOM 455 CG2 VAL A 29 -2.035 0.347 -5.774 1.00 0.00 C ATOM 0 H VAL A 29 -2.946 0.498 -2.951 1.00 0.00 H new ATOM 0 HA VAL A 29 -3.211 -1.710 -4.729 1.00 0.00 H new ATOM 0 HB VAL A 29 -0.976 0.167 -3.902 1.00 0.00 H new ATOM 0 HG11 VAL A 29 0.405 -0.863 -5.684 1.00 0.00 H new ATOM 0 HG12 VAL A 29 0.038 -2.039 -4.399 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -0.849 -2.099 -5.941 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -1.244 0.923 -6.254 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -2.499 -0.313 -6.507 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.786 1.027 -5.371 1.00 0.00 H new ATOM 465 N LEU A 30 -1.466 -2.139 -1.967 1.00 0.00 N ATOM 466 CA LEU A 30 -0.859 -3.155 -1.117 1.00 0.00 C ATOM 467 C LEU A 30 -1.909 -4.162 -0.653 1.00 0.00 C ATOM 468 O LEU A 30 -1.643 -5.363 -0.586 1.00 0.00 O ATOM 469 CB LEU A 30 -0.207 -2.497 0.103 1.00 0.00 C ATOM 470 CG LEU A 30 1.316 -2.585 -0.022 1.00 0.00 C ATOM 471 CD1 LEU A 30 1.774 -1.813 -1.261 1.00 0.00 C ATOM 472 CD2 LEU A 30 1.962 -1.977 1.225 1.00 0.00 C ATOM 0 H LEU A 30 -1.489 -1.203 -1.562 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.099 -3.679 -1.696 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.517 -1.455 0.176 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.537 -2.992 1.016 1.00 0.00 H new ATOM 0 HG LEU A 30 1.614 -3.629 -0.116 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.859 -1.876 -1.349 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.312 -2.244 -2.149 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.478 -0.768 -1.169 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.047 -2.038 1.139 1.00 0.00 H new ATOM 0 HD22 LEU A 30 1.663 -0.933 1.317 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.636 -2.527 2.108 1.00 0.00 H new ATOM 484 N LEU A 31 -3.097 -3.662 -0.334 1.00 0.00 N ATOM 485 CA LEU A 31 -4.180 -4.524 0.123 1.00 0.00 C ATOM 486 C LEU A 31 -4.525 -5.557 -0.946 1.00 0.00 C ATOM 487 O LEU A 31 -4.728 -6.734 -0.645 1.00 0.00 O ATOM 488 CB LEU A 31 -5.419 -3.683 0.442 1.00 0.00 C ATOM 489 CG LEU A 31 -5.560 -3.536 1.958 1.00 0.00 C ATOM 490 CD1 LEU A 31 -6.573 -2.434 2.271 1.00 0.00 C ATOM 491 CD2 LEU A 31 -6.043 -4.859 2.561 1.00 0.00 C ATOM 0 H LEU A 31 -3.334 -2.671 -0.383 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.853 -5.043 1.024 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.334 -2.701 -0.023 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -6.309 -4.156 0.028 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.593 -3.275 2.387 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -6.674 -2.329 3.351 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.229 -1.492 1.845 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -7.540 -2.695 1.840 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -6.143 -4.752 3.641 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -7.010 -5.123 2.132 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.321 -5.645 2.340 1.00 0.00 H new ATOM 503 N THR A 32 -4.588 -5.111 -2.194 1.00 0.00 N ATOM 504 CA THR A 32 -4.909 -6.007 -3.297 1.00 0.00 C ATOM 505 C THR A 32 -3.827 -7.071 -3.454 1.00 0.00 C ATOM 506 O THR A 32 -4.126 -8.251 -3.642 1.00 0.00 O ATOM 507 CB THR A 32 -5.032 -5.213 -4.596 1.00 0.00 C ATOM 508 OG1 THR A 32 -4.205 -4.059 -4.526 1.00 0.00 O ATOM 509 CG2 THR A 32 -6.487 -4.791 -4.803 1.00 0.00 C ATOM 0 H THR A 32 -4.423 -4.142 -2.466 1.00 0.00 H new ATOM 0 HA THR A 32 -5.858 -6.496 -3.078 1.00 0.00 H new ATOM 0 HB THR A 32 -4.715 -5.835 -5.433 1.00 0.00 H new ATOM 0 HG1 THR A 32 -3.282 -4.329 -4.335 1.00 0.00 H new ATOM 0 HG21 THR A 32 -6.573 -4.225 -5.730 1.00 0.00 H new ATOM 0 HG22 THR A 32 -7.118 -5.678 -4.859 1.00 0.00 H new ATOM 0 HG23 THR A 32 -6.808 -4.170 -3.967 1.00 0.00 H new ATOM 517 N VAL A 33 -2.570 -6.649 -3.379 1.00 0.00 N ATOM 518 CA VAL A 33 -1.455 -7.578 -3.515 1.00 0.00 C ATOM 519 C VAL A 33 -1.604 -8.734 -2.533 1.00 0.00 C ATOM 520 O VAL A 33 -1.470 -9.899 -2.905 1.00 0.00 O ATOM 521 CB VAL A 33 -0.136 -6.849 -3.253 1.00 0.00 C ATOM 522 CG1 VAL A 33 1.000 -7.868 -3.139 1.00 0.00 C ATOM 523 CG2 VAL A 33 0.155 -5.890 -4.410 1.00 0.00 C ATOM 0 H VAL A 33 -2.299 -5.678 -3.226 1.00 0.00 H new ATOM 0 HA VAL A 33 -1.455 -7.975 -4.530 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.213 -6.286 -2.323 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.939 -7.347 -2.952 1.00 0.00 H new ATOM 0 HG12 VAL A 33 0.794 -8.551 -2.315 1.00 0.00 H new ATOM 0 HG13 VAL A 33 1.077 -8.433 -4.068 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.095 -5.370 -4.224 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.230 -6.454 -5.340 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -0.652 -5.162 -4.491 1.00 0.00 H new ATOM 533 N LEU A 34 -1.889 -8.403 -1.277 1.00 0.00 N ATOM 534 CA LEU A 34 -2.060 -9.425 -0.252 1.00 0.00 C ATOM 535 C LEU A 34 -3.296 -10.270 -0.546 1.00 0.00 C ATOM 536 O LEU A 34 -3.292 -11.483 -0.339 1.00 0.00 O ATOM 537 CB LEU A 34 -2.203 -8.768 1.122 1.00 0.00 C ATOM 538 CG LEU A 34 -0.873 -8.857 1.874 1.00 0.00 C ATOM 539 CD1 LEU A 34 -0.878 -7.867 3.040 1.00 0.00 C ATOM 540 CD2 LEU A 34 -0.684 -10.278 2.414 1.00 0.00 C ATOM 0 H LEU A 34 -2.005 -7.445 -0.948 1.00 0.00 H new ATOM 0 HA LEU A 34 -1.181 -10.070 -0.255 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -2.499 -7.725 1.009 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.989 -9.262 1.693 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.056 -8.615 1.194 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.069 -7.931 3.575 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.011 -6.855 2.658 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.696 -8.109 3.719 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.263 -10.341 2.949 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.501 -10.521 3.093 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.679 -10.985 1.584 1.00 0.00 H new ATOM 552 N ALA A 35 -4.351 -9.619 -1.030 1.00 0.00 N ATOM 553 CA ALA A 35 -5.588 -10.323 -1.347 1.00 0.00 C ATOM 554 C ALA A 35 -5.349 -11.354 -2.445 1.00 0.00 C ATOM 555 O ALA A 35 -5.872 -12.467 -2.392 1.00 0.00 O ATOM 556 CB ALA A 35 -6.653 -9.324 -1.801 1.00 0.00 C ATOM 0 H ALA A 35 -4.374 -8.615 -1.209 1.00 0.00 H new ATOM 0 HA ALA A 35 -5.934 -10.839 -0.451 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -7.575 -9.856 -2.036 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -6.842 -8.606 -1.003 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -6.302 -8.796 -2.688 1.00 0.00 H new ATOM 562 N LEU A 36 -4.553 -10.975 -3.440 1.00 0.00 N ATOM 563 CA LEU A 36 -4.250 -11.876 -4.546 1.00 0.00 C ATOM 564 C LEU A 36 -3.421 -13.062 -4.062 1.00 0.00 C ATOM 565 O LEU A 36 -3.688 -14.207 -4.426 1.00 0.00 O ATOM 566 CB LEU A 36 -3.481 -11.124 -5.636 1.00 0.00 C ATOM 567 CG LEU A 36 -3.652 -11.847 -6.973 1.00 0.00 C ATOM 568 CD1 LEU A 36 -4.929 -11.360 -7.663 1.00 0.00 C ATOM 569 CD2 LEU A 36 -2.447 -11.551 -7.868 1.00 0.00 C ATOM 0 H LEU A 36 -4.110 -10.059 -3.503 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.190 -12.248 -4.954 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.848 -10.101 -5.714 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -2.424 -11.065 -5.375 1.00 0.00 H new ATOM 0 HG LEU A 36 -3.723 -12.920 -6.797 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -5.048 -11.877 -8.615 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -5.789 -11.569 -7.027 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -4.861 -10.286 -7.839 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -2.567 -12.065 -8.821 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -2.378 -10.477 -8.041 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -1.537 -11.899 -7.380 1.00 0.00 H new ATOM 581 N LEU A 37 -2.415 -12.778 -3.242 1.00 0.00 N ATOM 582 CA LEU A 37 -1.555 -13.832 -2.715 1.00 0.00 C ATOM 583 C LEU A 37 -2.378 -14.866 -1.957 1.00 0.00 C ATOM 584 O LEU A 37 -2.150 -16.069 -2.082 1.00 0.00 O ATOM 585 CB LEU A 37 -0.504 -13.226 -1.781 1.00 0.00 C ATOM 586 CG LEU A 37 0.895 -13.616 -2.262 1.00 0.00 C ATOM 587 CD1 LEU A 37 1.945 -12.950 -1.372 1.00 0.00 C ATOM 588 CD2 LEU A 37 1.054 -15.136 -2.185 1.00 0.00 C ATOM 0 H LEU A 37 -2.176 -11.837 -2.930 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.058 -14.324 -3.551 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.603 -12.141 -1.761 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -0.661 -13.580 -0.762 1.00 0.00 H new ATOM 0 HG LEU A 37 1.030 -13.286 -3.292 1.00 0.00 H new ATOM 0 HD11 LEU A 37 2.942 -13.228 -1.715 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.832 -11.867 -1.424 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.811 -13.280 -0.342 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.050 -15.415 -2.527 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.919 -15.464 -1.154 1.00 0.00 H new ATOM 0 HD23 LEU A 37 0.306 -15.613 -2.818 1.00 0.00 H new ATOM 600 N SER A 38 -3.340 -14.391 -1.173 1.00 0.00 N ATOM 601 CA SER A 38 -4.195 -15.286 -0.400 1.00 0.00 C ATOM 602 C SER A 38 -5.005 -16.184 -1.328 1.00 0.00 C ATOM 603 O SER A 38 -5.118 -17.388 -1.098 1.00 0.00 O ATOM 604 CB SER A 38 -5.140 -14.471 0.482 1.00 0.00 C ATOM 605 OG SER A 38 -4.385 -13.767 1.458 1.00 0.00 O ATOM 0 H SER A 38 -3.547 -13.399 -1.056 1.00 0.00 H new ATOM 0 HA SER A 38 -3.562 -15.912 0.230 1.00 0.00 H new ATOM 0 HB2 SER A 38 -5.710 -13.770 -0.128 1.00 0.00 H new ATOM 0 HB3 SER A 38 -5.860 -15.129 0.968 1.00 0.00 H new ATOM 0 HG SER A 38 -3.970 -12.981 1.046 1.00 0.00 H new ATOM 611 N HIS A 39 -5.569 -15.590 -2.375 1.00 0.00 N ATOM 612 CA HIS A 39 -6.368 -16.348 -3.331 1.00 0.00 C ATOM 613 C HIS A 39 -5.540 -17.470 -3.951 1.00 0.00 C ATOM 614 O HIS A 39 -6.012 -18.599 -4.093 1.00 0.00 O ATOM 615 CB HIS A 39 -6.880 -15.420 -4.435 1.00 0.00 C ATOM 616 CG HIS A 39 -8.348 -15.664 -4.656 1.00 0.00 C ATOM 617 ND1 HIS A 39 -9.313 -15.201 -3.779 1.00 0.00 N ATOM 618 CD2 HIS A 39 -9.029 -16.321 -5.651 1.00 0.00 C ATOM 619 CE1 HIS A 39 -10.512 -15.581 -4.255 1.00 0.00 C ATOM 620 NE2 HIS A 39 -10.395 -16.269 -5.395 1.00 0.00 N ATOM 0 H HIS A 39 -5.489 -14.594 -2.582 1.00 0.00 H new ATOM 0 HA HIS A 39 -7.215 -16.786 -2.802 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -6.711 -14.380 -4.157 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -6.328 -15.597 -5.358 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -8.573 -16.804 -6.503 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -11.453 -15.358 -3.775 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -11.146 -16.670 -5.957 1.00 0.00 H new ATOM 628 N ARG A 40 -4.303 -17.153 -4.317 1.00 0.00 N ATOM 629 CA ARG A 40 -3.418 -18.143 -4.920 1.00 0.00 C ATOM 630 C ARG A 40 -3.123 -19.270 -3.935 1.00 0.00 C ATOM 631 O ARG A 40 -3.155 -20.447 -4.294 1.00 0.00 O ATOM 632 CB ARG A 40 -2.107 -17.481 -5.347 1.00 0.00 C ATOM 633 CG ARG A 40 -1.344 -18.419 -6.285 1.00 0.00 C ATOM 634 CD ARG A 40 -1.722 -18.113 -7.735 1.00 0.00 C ATOM 635 NE ARG A 40 -1.371 -16.736 -8.068 1.00 0.00 N ATOM 636 CZ ARG A 40 -0.122 -16.400 -8.374 1.00 0.00 C ATOM 637 NH1 ARG A 40 0.816 -17.308 -8.380 1.00 0.00 N ATOM 638 NH2 ARG A 40 0.167 -15.162 -8.668 1.00 0.00 N ATOM 0 H ARG A 40 -3.892 -16.226 -4.208 1.00 0.00 H new ATOM 0 HA ARG A 40 -3.916 -18.561 -5.795 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -2.311 -16.535 -5.848 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -1.500 -17.253 -4.471 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -0.270 -18.296 -6.145 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -1.579 -19.457 -6.048 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -1.206 -18.800 -8.406 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -2.791 -18.269 -7.880 1.00 0.00 H new ATOM 0 HE ARG A 40 -2.097 -16.019 -8.066 1.00 0.00 H new ATOM 0 HH11 ARG A 40 0.590 -18.276 -8.150 1.00 0.00 H new ATOM 0 HH12 ARG A 40 1.774 -17.050 -8.615 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -0.566 -14.452 -8.663 1.00 0.00 H new ATOM 0 HH22 ARG A 40 1.125 -14.904 -8.903 1.00 0.00 H new ATOM 652 N ARG A 41 -2.837 -18.901 -2.691 1.00 0.00 N ATOM 653 CA ARG A 41 -2.538 -19.890 -1.661 1.00 0.00 C ATOM 654 C ARG A 41 -3.720 -20.834 -1.466 1.00 0.00 C ATOM 655 O ARG A 41 -3.547 -22.047 -1.358 1.00 0.00 O ATOM 656 CB ARG A 41 -2.222 -19.187 -0.339 1.00 0.00 C ATOM 657 CG ARG A 41 -0.811 -18.596 -0.400 1.00 0.00 C ATOM 658 CD ARG A 41 -0.511 -17.856 0.904 1.00 0.00 C ATOM 659 NE ARG A 41 -0.109 -18.802 1.942 1.00 0.00 N ATOM 660 CZ ARG A 41 -0.321 -18.543 3.229 1.00 0.00 C ATOM 661 NH1 ARG A 41 -0.896 -17.428 3.584 1.00 0.00 N ATOM 662 NH2 ARG A 41 0.047 -19.404 4.136 1.00 0.00 N ATOM 0 H ARG A 41 -2.806 -17.932 -2.373 1.00 0.00 H new ATOM 0 HA ARG A 41 -1.672 -20.470 -1.981 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -2.950 -18.398 -0.151 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -2.297 -19.893 0.488 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -0.080 -19.389 -0.557 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -0.727 -17.913 -1.246 1.00 0.00 H new ATOM 0 HD2 ARG A 41 0.281 -17.125 0.742 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -1.393 -17.303 1.228 1.00 0.00 H new ATOM 0 HE ARG A 41 0.342 -19.677 1.675 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -1.183 -16.754 2.874 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -1.058 -17.230 4.571 1.00 0.00 H new ATOM 0 HH21 ARG A 41 0.497 -20.276 3.858 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -0.115 -19.206 5.123 1.00 0.00 H new ATOM 676 N ALA A 42 -4.922 -20.268 -1.424 1.00 0.00 N ATOM 677 CA ALA A 42 -6.127 -21.071 -1.243 1.00 0.00 C ATOM 678 C ALA A 42 -6.253 -22.104 -2.359 1.00 0.00 C ATOM 679 O ALA A 42 -6.576 -23.265 -2.111 1.00 0.00 O ATOM 680 CB ALA A 42 -7.361 -20.167 -1.239 1.00 0.00 C ATOM 0 H ALA A 42 -5.088 -19.265 -1.512 1.00 0.00 H new ATOM 0 HA ALA A 42 -6.056 -21.591 -0.288 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -8.256 -20.774 -1.103 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -7.283 -19.448 -0.423 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -7.424 -19.634 -2.188 1.00 0.00 H new ATOM 686 N LEU A 43 -5.995 -21.673 -3.587 1.00 0.00 N ATOM 687 CA LEU A 43 -6.083 -22.571 -4.732 1.00 0.00 C ATOM 688 C LEU A 43 -5.063 -23.698 -4.607 1.00 0.00 C ATOM 689 O LEU A 43 -5.382 -24.866 -4.828 1.00 0.00 O ATOM 690 CB LEU A 43 -5.832 -21.794 -6.028 1.00 0.00 C ATOM 691 CG LEU A 43 -6.824 -22.249 -7.100 1.00 0.00 C ATOM 692 CD1 LEU A 43 -6.559 -21.485 -8.398 1.00 0.00 C ATOM 693 CD2 LEU A 43 -6.655 -23.751 -7.348 1.00 0.00 C ATOM 0 H LEU A 43 -5.725 -20.716 -3.815 1.00 0.00 H new ATOM 0 HA LEU A 43 -7.084 -23.002 -4.756 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -5.940 -20.724 -5.849 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -4.810 -21.959 -6.370 1.00 0.00 H new ATOM 0 HG LEU A 43 -7.841 -22.049 -6.762 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -7.266 -21.809 -9.162 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -6.680 -20.416 -8.222 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -5.542 -21.684 -8.736 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -7.362 -24.075 -8.112 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -5.638 -23.952 -7.686 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -6.845 -24.296 -6.423 1.00 0.00 H new ATOM 705 N LYS A 44 -3.834 -23.341 -4.256 1.00 0.00 N ATOM 706 CA LYS A 44 -2.776 -24.333 -4.109 1.00 0.00 C ATOM 707 C LYS A 44 -3.167 -25.386 -3.077 1.00 0.00 C ATOM 708 O LYS A 44 -2.894 -26.573 -3.252 1.00 0.00 O ATOM 709 CB LYS A 44 -1.475 -23.649 -3.679 1.00 0.00 C ATOM 710 CG LYS A 44 -0.293 -24.275 -4.425 1.00 0.00 C ATOM 711 CD LYS A 44 1.001 -23.569 -4.012 1.00 0.00 C ATOM 712 CE LYS A 44 1.664 -22.958 -5.248 1.00 0.00 C ATOM 713 NZ LYS A 44 2.091 -24.048 -6.172 1.00 0.00 N ATOM 0 H LYS A 44 -3.546 -22.380 -4.069 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.627 -24.824 -5.071 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -1.527 -22.581 -3.891 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -1.336 -23.754 -2.603 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -0.228 -25.339 -4.198 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -0.441 -24.187 -5.501 1.00 0.00 H new ATOM 0 HD2 LYS A 44 0.786 -22.791 -3.279 1.00 0.00 H new ATOM 0 HD3 LYS A 44 1.678 -24.277 -3.535 1.00 0.00 H new ATOM 0 HE2 LYS A 44 0.968 -22.289 -5.754 1.00 0.00 H new ATOM 0 HE3 LYS A 44 2.525 -22.358 -4.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 2.888 -23.718 -6.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 2.386 -24.877 -5.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 1.297 -24.310 -6.791 1.00 0.00 H new ATOM 727 N GLN A 45 -3.804 -24.943 -2.000 1.00 0.00 N ATOM 728 CA GLN A 45 -4.227 -25.856 -0.946 1.00 0.00 C ATOM 729 C GLN A 45 -5.294 -26.815 -1.462 1.00 0.00 C ATOM 730 O GLN A 45 -5.280 -28.004 -1.144 1.00 0.00 O ATOM 731 CB GLN A 45 -4.781 -25.064 0.240 1.00 0.00 C ATOM 732 CG GLN A 45 -5.361 -26.030 1.274 1.00 0.00 C ATOM 733 CD GLN A 45 -5.365 -25.378 2.652 1.00 0.00 C ATOM 734 OE1 GLN A 45 -4.348 -25.378 3.344 1.00 0.00 O ATOM 735 NE2 GLN A 45 -6.457 -24.818 3.096 1.00 0.00 N ATOM 0 H GLN A 45 -4.038 -23.964 -1.834 1.00 0.00 H new ATOM 0 HA GLN A 45 -3.361 -26.434 -0.624 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -3.991 -24.464 0.691 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -5.552 -24.372 -0.100 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -6.376 -26.311 0.992 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -4.772 -26.947 1.298 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -7.300 -24.818 2.522 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -6.467 -24.380 4.017 1.00 0.00 H new ATOM 744 N LYS A 46 -6.221 -26.290 -2.256 1.00 0.00 N ATOM 745 CA LYS A 46 -7.293 -27.111 -2.810 1.00 0.00 C ATOM 746 C LYS A 46 -6.732 -28.147 -3.775 1.00 0.00 C ATOM 747 O LYS A 46 -7.265 -29.251 -3.897 1.00 0.00 O ATOM 748 CB LYS A 46 -8.306 -26.224 -3.537 1.00 0.00 C ATOM 749 CG LYS A 46 -9.653 -26.944 -3.607 1.00 0.00 C ATOM 750 CD LYS A 46 -10.658 -26.075 -4.366 1.00 0.00 C ATOM 751 CE LYS A 46 -12.013 -26.786 -4.424 1.00 0.00 C ATOM 752 NZ LYS A 46 -12.175 -27.438 -5.754 1.00 0.00 N ATOM 0 H LYS A 46 -6.253 -25.308 -2.529 1.00 0.00 H new ATOM 0 HA LYS A 46 -7.789 -27.630 -1.990 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -8.416 -25.274 -3.014 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -7.951 -25.995 -4.542 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -9.538 -27.906 -4.107 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -10.020 -27.149 -2.601 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -10.764 -25.109 -3.872 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -10.295 -25.879 -5.375 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -12.079 -27.531 -3.631 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -12.818 -26.071 -4.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -13.095 -27.921 -5.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -12.130 -26.717 -6.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -11.413 -28.132 -5.896 1.00 0.00 H new ATOM 766 N ILE A 47 -5.652 -27.788 -4.460 1.00 0.00 N ATOM 767 CA ILE A 47 -5.027 -28.699 -5.412 1.00 0.00 C ATOM 768 C ILE A 47 -4.284 -29.812 -4.683 1.00 0.00 C ATOM 769 O ILE A 47 -4.283 -30.959 -5.122 1.00 0.00 O ATOM 770 CB ILE A 47 -4.049 -27.933 -6.309 1.00 0.00 C ATOM 771 CG1 ILE A 47 -4.815 -26.865 -7.103 1.00 0.00 C ATOM 772 CG2 ILE A 47 -3.364 -28.904 -7.273 1.00 0.00 C ATOM 773 CD1 ILE A 47 -5.359 -27.462 -8.406 1.00 0.00 C ATOM 0 H ILE A 47 -5.194 -26.881 -4.375 1.00 0.00 H new ATOM 0 HA ILE A 47 -5.811 -29.142 -6.026 1.00 0.00 H new ATOM 0 HB ILE A 47 -3.291 -27.451 -5.692 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -5.637 -26.475 -6.502 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -4.157 -26.026 -7.326 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -2.669 -28.356 -7.909 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -2.818 -29.657 -6.704 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -4.116 -29.392 -7.893 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -5.900 -26.695 -8.960 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -4.531 -27.830 -9.011 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -6.034 -28.286 -8.175 1.00 0.00 H new ATOM 785 N TRP A 48 -3.654 -29.463 -3.566 1.00 0.00 N ATOM 786 CA TRP A 48 -2.913 -30.442 -2.784 1.00 0.00 C ATOM 787 C TRP A 48 -2.973 -30.091 -1.299 1.00 0.00 C ATOM 788 O TRP A 48 -2.002 -29.595 -0.726 1.00 0.00 O ATOM 789 CB TRP A 48 -1.456 -30.481 -3.241 1.00 0.00 C ATOM 790 CG TRP A 48 -0.719 -31.521 -2.458 1.00 0.00 C ATOM 791 CD1 TRP A 48 -0.822 -32.856 -2.648 1.00 0.00 C ATOM 792 CD2 TRP A 48 0.231 -31.334 -1.369 1.00 0.00 C ATOM 793 NE1 TRP A 48 0.003 -33.502 -1.746 1.00 0.00 N ATOM 794 CE2 TRP A 48 0.674 -32.607 -0.936 1.00 0.00 C ATOM 795 CE3 TRP A 48 0.746 -30.197 -0.720 1.00 0.00 C ATOM 796 CZ2 TRP A 48 1.595 -32.745 0.103 1.00 0.00 C ATOM 797 CZ3 TRP A 48 1.673 -30.333 0.324 1.00 0.00 C ATOM 798 CH2 TRP A 48 2.097 -31.604 0.736 1.00 0.00 C ATOM 0 H TRP A 48 -3.642 -28.517 -3.185 1.00 0.00 H new ATOM 0 HA TRP A 48 -3.366 -31.422 -2.936 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -1.403 -30.706 -4.306 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -0.992 -29.505 -3.098 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -1.447 -33.339 -3.385 1.00 0.00 H new ATOM 0 HE1 TRP A 48 0.104 -34.515 -1.686 1.00 0.00 H new ATOM 0 HE3 TRP A 48 0.425 -29.213 -1.028 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 1.918 -33.727 0.416 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 2.063 -29.453 0.814 1.00 0.00 H new ATOM 0 HH2 TRP A 48 2.810 -31.702 1.541 1.00 0.00 H new ATOM 809 N PRO A 49 -4.096 -30.336 -0.672 1.00 0.00 N ATOM 810 CA PRO A 49 -4.294 -30.039 0.773 1.00 0.00 C ATOM 811 C PRO A 49 -3.696 -31.117 1.672 1.00 0.00 C ATOM 812 O PRO A 49 -3.426 -32.197 1.171 1.00 0.00 O ATOM 813 CB PRO A 49 -5.816 -29.986 0.917 1.00 0.00 C ATOM 814 CG PRO A 49 -6.364 -30.840 -0.180 1.00 0.00 C ATOM 815 CD PRO A 49 -5.298 -30.926 -1.275 1.00 0.00 C ATOM 816 OXT PRO A 49 -3.519 -30.848 2.848 1.00 0.00 O ATOM 0 HA PRO A 49 -3.797 -29.118 1.077 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -6.129 -30.357 1.893 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -6.180 -28.962 0.833 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -6.609 -31.834 0.195 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -7.285 -30.412 -0.575 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -5.123 -31.959 -1.577 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -5.602 -30.380 -2.168 1.00 0.00 H new TER 824 PRO A 49