USER MOD reduce.3.24.130724 H: found=0, std=0, add=441, rem=0, adj=9 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 Set 1.1: A 9 THR OG1 : rot -61:sc= -0.552 USER MOD Set 1.2: A 11 SER OG : rot 180:sc= 0.139 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot -64:sc= 0.873 USER MOD Single : A 6 SER OG : rot -41:sc= 0.00973 USER MOD Single : A 19 THR OG1 : rot 87:sc= 0.866 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.144 USER MOD Single : A 38 SER OG : rot 180:sc= -0.271 USER MOD Single : A 39 HIS : no HD1:sc=-0.00785 X(o=-0.0079,f=-0.12) USER MOD Single : A 44 LYS NZ :NH3+ -159:sc= 0 (180deg=-0.0048) USER MOD Single : A 45 GLN : amide:sc= -0.14 K(o=-0.14,f=-2.2!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -17.147 30.760 -23.823 1.00 0.00 N ATOM 2 CA MET A 1 -16.731 29.389 -23.412 1.00 0.00 C ATOM 3 C MET A 1 -15.241 29.390 -23.087 1.00 0.00 C ATOM 4 O MET A 1 -14.402 29.229 -23.972 1.00 0.00 O ATOM 5 CB MET A 1 -17.015 28.411 -24.553 1.00 0.00 C ATOM 6 CG MET A 1 -18.378 27.752 -24.332 1.00 0.00 C ATOM 7 SD MET A 1 -18.248 26.527 -23.005 1.00 0.00 S ATOM 8 CE MET A 1 -20.009 26.446 -22.597 1.00 0.00 C ATOM 0 H1 MET A 1 -18.163 30.762 -24.045 1.00 0.00 H new ATOM 0 H2 MET A 1 -16.961 31.427 -23.047 1.00 0.00 H new ATOM 0 H3 MET A 1 -16.608 31.049 -24.664 1.00 0.00 H new ATOM 0 HA MET A 1 -17.291 29.082 -22.528 1.00 0.00 H new ATOM 0 HB2 MET A 1 -17.004 28.936 -25.508 1.00 0.00 H new ATOM 0 HB3 MET A 1 -16.235 27.651 -24.598 1.00 0.00 H new ATOM 0 HG2 MET A 1 -19.121 28.506 -24.073 1.00 0.00 H new ATOM 0 HG3 MET A 1 -18.716 27.274 -25.251 1.00 0.00 H new ATOM 0 HE1 MET A 1 -20.162 25.735 -21.785 1.00 0.00 H new ATOM 0 HE2 MET A 1 -20.356 27.431 -22.286 1.00 0.00 H new ATOM 0 HE3 MET A 1 -20.571 26.123 -23.473 1.00 0.00 H new ATOM 20 N SER A 2 -14.920 29.572 -21.810 1.00 0.00 N ATOM 21 CA SER A 2 -13.527 29.593 -21.377 1.00 0.00 C ATOM 22 C SER A 2 -13.438 29.714 -19.860 1.00 0.00 C ATOM 23 O SER A 2 -13.416 30.819 -19.317 1.00 0.00 O ATOM 24 CB SER A 2 -12.796 30.767 -22.029 1.00 0.00 C ATOM 25 OG SER A 2 -11.752 31.205 -21.169 1.00 0.00 O ATOM 0 H SER A 2 -15.600 29.706 -21.062 1.00 0.00 H new ATOM 0 HA SER A 2 -13.057 28.658 -21.682 1.00 0.00 H new ATOM 0 HB2 SER A 2 -12.386 30.465 -22.993 1.00 0.00 H new ATOM 0 HB3 SER A 2 -13.492 31.583 -22.220 1.00 0.00 H new ATOM 0 HG SER A 2 -12.137 31.554 -20.338 1.00 0.00 H new ATOM 31 N GLU A 3 -13.388 28.572 -19.182 1.00 0.00 N ATOM 32 CA GLU A 3 -13.306 28.563 -17.726 1.00 0.00 C ATOM 33 C GLU A 3 -12.466 27.385 -17.245 1.00 0.00 C ATOM 34 O GLU A 3 -12.915 26.581 -16.425 1.00 0.00 O ATOM 35 CB GLU A 3 -14.710 28.473 -17.124 1.00 0.00 C ATOM 36 CG GLU A 3 -15.437 29.804 -17.319 1.00 0.00 C ATOM 37 CD GLU A 3 -16.797 29.760 -16.632 1.00 0.00 C ATOM 38 OE1 GLU A 3 -17.522 28.808 -16.860 1.00 0.00 O ATOM 39 OE2 GLU A 3 -17.093 30.683 -15.890 1.00 0.00 O ATOM 0 H GLU A 3 -13.403 27.648 -19.613 1.00 0.00 H new ATOM 0 HA GLU A 3 -12.832 29.489 -17.401 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -15.270 27.668 -17.600 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -14.647 28.233 -16.063 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -14.839 30.618 -16.909 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -15.564 30.006 -18.383 1.00 0.00 H new ATOM 46 N PRO A 4 -11.264 27.272 -17.738 1.00 0.00 N ATOM 47 CA PRO A 4 -10.333 26.171 -17.360 1.00 0.00 C ATOM 48 C PRO A 4 -9.895 26.265 -15.900 1.00 0.00 C ATOM 49 O PRO A 4 -9.130 27.155 -15.527 1.00 0.00 O ATOM 50 CB PRO A 4 -9.142 26.361 -18.300 1.00 0.00 C ATOM 51 CG PRO A 4 -9.195 27.791 -18.725 1.00 0.00 C ATOM 52 CD PRO A 4 -10.660 28.189 -18.717 1.00 0.00 C ATOM 0 HA PRO A 4 -10.801 25.191 -17.453 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -8.203 26.136 -17.794 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -9.209 25.693 -19.159 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -8.619 28.419 -18.046 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -8.764 27.917 -19.718 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -10.791 29.231 -18.424 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -11.111 28.076 -19.703 1.00 0.00 H new ATOM 60 N VAL A 5 -10.387 25.344 -15.078 1.00 0.00 N ATOM 61 CA VAL A 5 -10.044 25.336 -13.661 1.00 0.00 C ATOM 62 C VAL A 5 -8.669 24.711 -13.444 1.00 0.00 C ATOM 63 O VAL A 5 -8.292 24.395 -12.316 1.00 0.00 O ATOM 64 CB VAL A 5 -11.094 24.551 -12.874 1.00 0.00 C ATOM 65 CG1 VAL A 5 -12.458 25.225 -13.028 1.00 0.00 C ATOM 66 CG2 VAL A 5 -11.170 23.120 -13.414 1.00 0.00 C ATOM 0 H VAL A 5 -11.020 24.598 -15.366 1.00 0.00 H new ATOM 0 HA VAL A 5 -10.021 26.367 -13.307 1.00 0.00 H new ATOM 0 HB VAL A 5 -10.816 24.530 -11.820 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -13.206 24.665 -12.467 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -12.405 26.244 -12.645 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -12.736 25.247 -14.082 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -11.918 22.559 -12.854 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -11.447 23.143 -14.468 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -10.198 22.638 -13.305 1.00 0.00 H new ATOM 76 N SER A 6 -7.928 24.533 -14.533 1.00 0.00 N ATOM 77 CA SER A 6 -6.600 23.938 -14.451 1.00 0.00 C ATOM 78 C SER A 6 -5.654 24.843 -13.668 1.00 0.00 C ATOM 79 O SER A 6 -4.531 24.455 -13.346 1.00 0.00 O ATOM 80 CB SER A 6 -6.042 23.709 -15.856 1.00 0.00 C ATOM 81 OG SER A 6 -5.057 22.686 -15.810 1.00 0.00 O ATOM 0 H SER A 6 -8.222 24.790 -15.475 1.00 0.00 H new ATOM 0 HA SER A 6 -6.683 22.983 -13.933 1.00 0.00 H new ATOM 0 HB2 SER A 6 -6.845 23.426 -16.537 1.00 0.00 H new ATOM 0 HB3 SER A 6 -5.607 24.631 -16.242 1.00 0.00 H new ATOM 0 HG SER A 6 -4.496 22.807 -15.015 1.00 0.00 H new ATOM 87 N LEU A 7 -6.115 26.052 -13.366 1.00 0.00 N ATOM 88 CA LEU A 7 -5.303 27.006 -12.620 1.00 0.00 C ATOM 89 C LEU A 7 -5.086 26.521 -11.189 1.00 0.00 C ATOM 90 O LEU A 7 -4.110 26.895 -10.539 1.00 0.00 O ATOM 91 CB LEU A 7 -5.989 28.373 -12.599 1.00 0.00 C ATOM 92 CG LEU A 7 -4.937 29.469 -12.411 1.00 0.00 C ATOM 93 CD1 LEU A 7 -4.467 29.966 -13.778 1.00 0.00 C ATOM 94 CD2 LEU A 7 -5.550 30.633 -11.629 1.00 0.00 C ATOM 0 H LEU A 7 -7.041 26.393 -13.624 1.00 0.00 H new ATOM 0 HA LEU A 7 -4.335 27.094 -13.113 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -6.534 28.533 -13.529 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -6.720 28.413 -11.791 1.00 0.00 H new ATOM 0 HG LEU A 7 -4.087 29.066 -11.860 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -3.718 30.746 -13.644 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -4.032 29.137 -14.336 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -5.316 30.369 -14.330 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -4.802 31.415 -11.494 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -6.399 31.035 -12.181 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -5.885 30.280 -10.654 1.00 0.00 H new ATOM 106 N LEU A 8 -6.002 25.687 -10.708 1.00 0.00 N ATOM 107 CA LEU A 8 -5.890 25.144 -9.359 1.00 0.00 C ATOM 108 C LEU A 8 -5.667 26.263 -8.346 1.00 0.00 C ATOM 109 O LEU A 8 -5.519 27.427 -8.718 1.00 0.00 O ATOM 110 CB LEU A 8 -4.728 24.152 -9.289 1.00 0.00 C ATOM 111 CG LEU A 8 -5.274 22.723 -9.325 1.00 0.00 C ATOM 112 CD1 LEU A 8 -6.064 22.509 -10.618 1.00 0.00 C ATOM 113 CD2 LEU A 8 -4.109 21.732 -9.270 1.00 0.00 C ATOM 0 H LEU A 8 -6.823 25.375 -11.226 1.00 0.00 H new ATOM 0 HA LEU A 8 -6.821 24.631 -9.117 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -4.047 24.314 -10.125 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -4.155 24.311 -8.376 1.00 0.00 H new ATOM 0 HG LEU A 8 -5.930 22.563 -8.469 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -6.452 21.491 -10.643 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -6.893 23.215 -10.659 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -5.409 22.668 -11.475 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -4.496 20.713 -9.296 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -3.454 21.893 -10.126 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -3.546 21.883 -8.349 1.00 0.00 H new ATOM 125 N THR A 9 -5.646 25.902 -7.069 1.00 0.00 N ATOM 126 CA THR A 9 -5.429 26.884 -6.011 1.00 0.00 C ATOM 127 C THR A 9 -4.611 26.276 -4.876 1.00 0.00 C ATOM 128 O THR A 9 -5.150 25.924 -3.826 1.00 0.00 O ATOM 129 CB THR A 9 -6.773 27.374 -5.470 1.00 0.00 C ATOM 130 OG1 THR A 9 -6.600 27.853 -4.143 1.00 0.00 O ATOM 131 CG2 THR A 9 -7.778 26.223 -5.473 1.00 0.00 C ATOM 0 H THR A 9 -5.775 24.945 -6.741 1.00 0.00 H new ATOM 0 HA THR A 9 -4.878 27.726 -6.429 1.00 0.00 H new ATOM 0 HB THR A 9 -7.148 28.179 -6.102 1.00 0.00 H new ATOM 0 HG1 THR A 9 -6.283 27.123 -3.571 1.00 0.00 H new ATOM 0 HG21 THR A 9 -8.735 26.574 -5.087 1.00 0.00 H new ATOM 0 HG22 THR A 9 -7.910 25.858 -6.491 1.00 0.00 H new ATOM 0 HG23 THR A 9 -7.407 25.415 -4.843 1.00 0.00 H new ATOM 139 N PRO A 10 -3.327 26.149 -5.071 1.00 0.00 N ATOM 140 CA PRO A 10 -2.408 25.568 -4.051 1.00 0.00 C ATOM 141 C PRO A 10 -2.547 26.254 -2.695 1.00 0.00 C ATOM 142 O PRO A 10 -2.533 25.600 -1.653 1.00 0.00 O ATOM 143 CB PRO A 10 -1.017 25.803 -4.642 1.00 0.00 C ATOM 144 CG PRO A 10 -1.229 25.970 -6.110 1.00 0.00 C ATOM 145 CD PRO A 10 -2.612 26.549 -6.294 1.00 0.00 C ATOM 0 HA PRO A 10 -2.622 24.517 -3.858 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -0.552 26.689 -4.210 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -0.355 24.962 -4.434 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -0.474 26.631 -6.536 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -1.140 25.013 -6.624 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -2.580 27.633 -6.402 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -3.095 26.153 -7.187 1.00 0.00 H new ATOM 153 N SER A 11 -2.682 27.577 -2.717 1.00 0.00 N ATOM 154 CA SER A 11 -2.827 28.340 -1.484 1.00 0.00 C ATOM 155 C SER A 11 -3.851 27.682 -0.563 1.00 0.00 C ATOM 156 O SER A 11 -3.677 27.655 0.655 1.00 0.00 O ATOM 157 CB SER A 11 -3.270 29.769 -1.803 1.00 0.00 C ATOM 158 OG SER A 11 -3.401 29.915 -3.211 1.00 0.00 O ATOM 0 H SER A 11 -2.694 28.138 -3.569 1.00 0.00 H new ATOM 0 HA SER A 11 -1.862 28.363 -0.978 1.00 0.00 H new ATOM 0 HB2 SER A 11 -4.219 29.986 -1.313 1.00 0.00 H new ATOM 0 HB3 SER A 11 -2.542 30.483 -1.418 1.00 0.00 H new ATOM 0 HG SER A 11 -3.686 30.829 -3.420 1.00 0.00 H new ATOM 164 N ASP A 12 -4.917 27.153 -1.155 1.00 0.00 N ATOM 165 CA ASP A 12 -5.967 26.505 -0.377 1.00 0.00 C ATOM 166 C ASP A 12 -5.737 24.999 -0.317 1.00 0.00 C ATOM 167 O ASP A 12 -5.944 24.371 0.721 1.00 0.00 O ATOM 168 CB ASP A 12 -7.332 26.792 -1.004 1.00 0.00 C ATOM 169 CG ASP A 12 -8.038 27.903 -0.232 1.00 0.00 C ATOM 170 OD1 ASP A 12 -8.453 27.648 0.887 1.00 0.00 O ATOM 171 OD2 ASP A 12 -8.152 28.991 -0.773 1.00 0.00 O ATOM 0 H ASP A 12 -5.076 27.160 -2.162 1.00 0.00 H new ATOM 0 HA ASP A 12 -5.942 26.904 0.637 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -7.208 27.085 -2.047 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -7.942 25.889 -0.997 1.00 0.00 H new ATOM 176 N LEU A 13 -5.311 24.426 -1.438 1.00 0.00 N ATOM 177 CA LEU A 13 -5.042 22.994 -1.498 1.00 0.00 C ATOM 178 C LEU A 13 -3.745 22.661 -0.766 1.00 0.00 C ATOM 179 O LEU A 13 -2.685 22.550 -1.383 1.00 0.00 O ATOM 180 CB LEU A 13 -4.939 22.542 -2.955 1.00 0.00 C ATOM 181 CG LEU A 13 -6.240 21.852 -3.369 1.00 0.00 C ATOM 182 CD1 LEU A 13 -6.407 20.556 -2.575 1.00 0.00 C ATOM 183 CD2 LEU A 13 -7.421 22.781 -3.081 1.00 0.00 C ATOM 0 H LEU A 13 -5.146 24.927 -2.311 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.865 22.468 -1.013 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.749 23.400 -3.600 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.098 21.859 -3.076 1.00 0.00 H new ATOM 0 HG LEU A 13 -6.207 21.623 -4.434 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -7.334 20.065 -2.871 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -5.565 19.894 -2.778 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -6.441 20.784 -1.510 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -8.349 22.291 -3.375 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -7.453 23.009 -2.016 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -7.303 23.705 -3.647 1.00 0.00 H new ATOM 195 N ASP A 14 -3.836 22.505 0.549 1.00 0.00 N ATOM 196 CA ASP A 14 -2.665 22.169 1.352 1.00 0.00 C ATOM 197 C ASP A 14 -2.013 20.890 0.840 1.00 0.00 C ATOM 198 O ASP A 14 -2.672 20.040 0.240 1.00 0.00 O ATOM 199 CB ASP A 14 -3.070 21.987 2.816 1.00 0.00 C ATOM 200 CG ASP A 14 -2.751 23.250 3.606 1.00 0.00 C ATOM 201 OD1 ASP A 14 -2.865 24.325 3.039 1.00 0.00 O ATOM 202 OD2 ASP A 14 -2.400 23.126 4.767 1.00 0.00 O ATOM 0 H ASP A 14 -4.701 22.605 1.080 1.00 0.00 H new ATOM 0 HA ASP A 14 -1.947 22.986 1.273 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -4.135 21.766 2.882 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -2.541 21.136 3.245 1.00 0.00 H new ATOM 207 N PRO A 15 -0.736 20.743 1.066 1.00 0.00 N ATOM 208 CA PRO A 15 0.035 19.552 0.608 1.00 0.00 C ATOM 209 C PRO A 15 -0.474 18.259 1.242 1.00 0.00 C ATOM 210 O PRO A 15 -0.221 17.166 0.736 1.00 0.00 O ATOM 211 CB PRO A 15 1.466 19.852 1.055 1.00 0.00 C ATOM 212 CG PRO A 15 1.341 20.888 2.124 1.00 0.00 C ATOM 213 CD PRO A 15 0.112 21.704 1.786 1.00 0.00 C ATOM 0 HA PRO A 15 -0.056 19.395 -0.467 1.00 0.00 H new ATOM 0 HB2 PRO A 15 1.955 18.955 1.434 1.00 0.00 H new ATOM 0 HB3 PRO A 15 2.069 20.217 0.223 1.00 0.00 H new ATOM 0 HG2 PRO A 15 1.241 20.424 3.105 1.00 0.00 H new ATOM 0 HG3 PRO A 15 2.229 21.519 2.159 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -0.379 22.083 2.682 1.00 0.00 H new ATOM 0 HD3 PRO A 15 0.358 22.567 1.168 1.00 0.00 H new ATOM 221 N LEU A 16 -1.193 18.394 2.353 1.00 0.00 N ATOM 222 CA LEU A 16 -1.732 17.231 3.047 1.00 0.00 C ATOM 223 C LEU A 16 -2.755 16.511 2.173 1.00 0.00 C ATOM 224 O LEU A 16 -2.890 15.288 2.237 1.00 0.00 O ATOM 225 CB LEU A 16 -2.393 17.664 4.358 1.00 0.00 C ATOM 226 CG LEU A 16 -2.565 16.449 5.269 1.00 0.00 C ATOM 227 CD1 LEU A 16 -1.296 16.247 6.098 1.00 0.00 C ATOM 228 CD2 LEU A 16 -3.755 16.679 6.204 1.00 0.00 C ATOM 0 H LEU A 16 -1.414 19.290 2.788 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.910 16.548 3.263 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.783 18.419 4.853 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.362 18.120 4.156 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.745 15.562 4.662 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.420 15.380 6.747 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.449 16.084 5.432 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.114 17.133 6.706 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.879 15.813 6.855 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.575 17.566 6.811 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -4.660 16.822 5.613 1.00 0.00 H new ATOM 240 N ILE A 17 -3.472 17.277 1.358 1.00 0.00 N ATOM 241 CA ILE A 17 -4.478 16.700 0.473 1.00 0.00 C ATOM 242 C ILE A 17 -3.824 15.783 -0.556 1.00 0.00 C ATOM 243 O ILE A 17 -4.264 14.653 -0.760 1.00 0.00 O ATOM 244 CB ILE A 17 -5.240 17.815 -0.247 1.00 0.00 C ATOM 245 CG1 ILE A 17 -5.636 18.893 0.764 1.00 0.00 C ATOM 246 CG2 ILE A 17 -6.500 17.236 -0.894 1.00 0.00 C ATOM 247 CD1 ILE A 17 -6.286 18.238 1.983 1.00 0.00 C ATOM 0 H ILE A 17 -3.377 18.290 1.291 1.00 0.00 H new ATOM 0 HA ILE A 17 -5.172 16.115 1.076 1.00 0.00 H new ATOM 0 HB ILE A 17 -4.605 18.252 -1.017 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -4.757 19.461 1.069 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -6.328 19.599 0.306 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -7.043 18.030 -1.407 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -6.219 16.466 -1.612 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -7.137 16.800 -0.124 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -6.568 19.007 2.702 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -7.175 17.690 1.671 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -5.579 17.549 2.446 1.00 0.00 H new ATOM 259 N LEU A 18 -2.772 16.278 -1.200 1.00 0.00 N ATOM 260 CA LEU A 18 -2.066 15.494 -2.205 1.00 0.00 C ATOM 261 C LEU A 18 -1.529 14.201 -1.598 1.00 0.00 C ATOM 262 O LEU A 18 -1.598 13.138 -2.215 1.00 0.00 O ATOM 263 CB LEU A 18 -0.906 16.307 -2.783 1.00 0.00 C ATOM 264 CG LEU A 18 -1.207 16.663 -4.239 1.00 0.00 C ATOM 265 CD1 LEU A 18 -2.447 17.559 -4.301 1.00 0.00 C ATOM 266 CD2 LEU A 18 -0.012 17.408 -4.838 1.00 0.00 C ATOM 0 H LEU A 18 -2.392 17.212 -1.045 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.768 15.245 -3.001 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.758 17.215 -2.199 1.00 0.00 H new ATOM 0 HB3 LEU A 18 0.019 15.734 -2.722 1.00 0.00 H new ATOM 0 HG LEU A 18 -1.390 15.750 -4.805 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -2.661 17.813 -5.339 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.299 17.031 -3.873 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.265 18.472 -3.735 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -0.225 17.662 -5.876 1.00 0.00 H new ATOM 0 HD22 LEU A 18 0.169 18.321 -4.271 1.00 0.00 H new ATOM 0 HD23 LEU A 18 0.872 16.772 -4.795 1.00 0.00 H new ATOM 278 N THR A 19 -0.996 14.300 -0.385 1.00 0.00 N ATOM 279 CA THR A 19 -0.452 13.132 0.297 1.00 0.00 C ATOM 280 C THR A 19 -1.571 12.171 0.689 1.00 0.00 C ATOM 281 O THR A 19 -1.404 10.954 0.632 1.00 0.00 O ATOM 282 CB THR A 19 0.311 13.567 1.550 1.00 0.00 C ATOM 283 OG1 THR A 19 0.947 14.814 1.306 1.00 0.00 O ATOM 284 CG2 THR A 19 1.365 12.515 1.899 1.00 0.00 C ATOM 0 H THR A 19 -0.929 15.170 0.143 1.00 0.00 H new ATOM 0 HA THR A 19 0.229 12.621 -0.384 1.00 0.00 H new ATOM 0 HB THR A 19 -0.385 13.670 2.382 1.00 0.00 H new ATOM 0 HG1 THR A 19 0.322 15.543 1.500 1.00 0.00 H new ATOM 0 HG21 THR A 19 1.908 12.826 2.792 1.00 0.00 H new ATOM 0 HG22 THR A 19 0.877 11.559 2.086 1.00 0.00 H new ATOM 0 HG23 THR A 19 2.063 12.410 1.068 1.00 0.00 H new ATOM 292 N LEU A 20 -2.710 12.728 1.086 1.00 0.00 N ATOM 293 CA LEU A 20 -3.853 11.913 1.480 1.00 0.00 C ATOM 294 C LEU A 20 -4.286 11.007 0.332 1.00 0.00 C ATOM 295 O LEU A 20 -4.490 9.806 0.518 1.00 0.00 O ATOM 296 CB LEU A 20 -5.019 12.810 1.894 1.00 0.00 C ATOM 297 CG LEU A 20 -5.899 12.072 2.905 1.00 0.00 C ATOM 298 CD1 LEU A 20 -5.396 12.354 4.322 1.00 0.00 C ATOM 299 CD2 LEU A 20 -7.344 12.558 2.770 1.00 0.00 C ATOM 0 H LEU A 20 -2.866 13.734 1.143 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.557 11.292 2.326 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.642 13.735 2.331 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -5.607 13.087 1.019 1.00 0.00 H new ATOM 0 HG LEU A 20 -5.855 11.000 2.712 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -6.023 11.828 5.042 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -4.366 12.010 4.418 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -5.440 13.425 4.517 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -7.973 12.034 3.489 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -7.387 13.630 2.964 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -7.703 12.357 1.760 1.00 0.00 H new ATOM 311 N SER A 21 -4.425 11.589 -0.854 1.00 0.00 N ATOM 312 CA SER A 21 -4.840 10.826 -2.025 1.00 0.00 C ATOM 313 C SER A 21 -3.798 9.767 -2.374 1.00 0.00 C ATOM 314 O SER A 21 -4.135 8.613 -2.634 1.00 0.00 O ATOM 315 CB SER A 21 -5.037 11.763 -3.216 1.00 0.00 C ATOM 316 OG SER A 21 -6.388 11.689 -3.653 1.00 0.00 O ATOM 0 H SER A 21 -4.258 12.580 -1.029 1.00 0.00 H new ATOM 0 HA SER A 21 -5.782 10.329 -1.795 1.00 0.00 H new ATOM 0 HB2 SER A 21 -4.790 12.786 -2.933 1.00 0.00 H new ATOM 0 HB3 SER A 21 -4.364 11.485 -4.027 1.00 0.00 H new ATOM 0 HG SER A 21 -6.518 12.290 -4.416 1.00 0.00 H new ATOM 322 N LEU A 22 -2.532 10.171 -2.377 1.00 0.00 N ATOM 323 CA LEU A 22 -1.449 9.251 -2.703 1.00 0.00 C ATOM 324 C LEU A 22 -1.490 8.030 -1.791 1.00 0.00 C ATOM 325 O LEU A 22 -1.296 6.899 -2.240 1.00 0.00 O ATOM 326 CB LEU A 22 -0.100 9.957 -2.552 1.00 0.00 C ATOM 327 CG LEU A 22 0.456 10.295 -3.937 1.00 0.00 C ATOM 328 CD1 LEU A 22 0.825 9.004 -4.668 1.00 0.00 C ATOM 329 CD2 LEU A 22 -0.603 11.051 -4.740 1.00 0.00 C ATOM 0 H LEU A 22 -2.232 11.121 -2.159 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.575 8.924 -3.735 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.217 10.867 -1.963 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.599 9.317 -2.014 1.00 0.00 H new ATOM 0 HG LEU A 22 1.344 10.918 -3.830 1.00 0.00 H new ATOM 0 HD11 LEU A 22 1.221 9.245 -5.655 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.580 8.465 -4.096 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.063 8.380 -4.776 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.208 11.292 -5.727 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.491 10.429 -4.847 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.866 11.972 -4.219 1.00 0.00 H new ATOM 341 N ILE A 23 -1.742 8.264 -0.506 1.00 0.00 N ATOM 342 CA ILE A 23 -1.799 7.176 0.462 1.00 0.00 C ATOM 343 C ILE A 23 -3.026 6.303 0.217 1.00 0.00 C ATOM 344 O ILE A 23 -2.954 5.077 0.299 1.00 0.00 O ATOM 345 CB ILE A 23 -1.849 7.743 1.882 1.00 0.00 C ATOM 346 CG1 ILE A 23 -0.523 8.438 2.199 1.00 0.00 C ATOM 347 CG2 ILE A 23 -2.077 6.604 2.878 1.00 0.00 C ATOM 348 CD1 ILE A 23 -0.730 9.437 3.340 1.00 0.00 C ATOM 0 H ILE A 23 -1.909 9.191 -0.114 1.00 0.00 H new ATOM 0 HA ILE A 23 -0.904 6.565 0.346 1.00 0.00 H new ATOM 0 HB ILE A 23 -2.665 8.462 1.958 1.00 0.00 H new ATOM 0 HG12 ILE A 23 0.229 7.700 2.479 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -0.149 8.953 1.314 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -2.113 7.007 3.890 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -3.020 6.107 2.652 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -1.261 5.886 2.802 1.00 0.00 H new ATOM 0 HD11 ILE A 23 0.214 9.932 3.566 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -1.468 10.182 3.042 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -1.084 8.909 4.226 1.00 0.00 H new ATOM 360 N LEU A 24 -4.151 6.945 -0.086 1.00 0.00 N ATOM 361 CA LEU A 24 -5.386 6.215 -0.348 1.00 0.00 C ATOM 362 C LEU A 24 -5.200 5.250 -1.513 1.00 0.00 C ATOM 363 O LEU A 24 -5.596 4.086 -1.437 1.00 0.00 O ATOM 364 CB LEU A 24 -6.513 7.199 -0.672 1.00 0.00 C ATOM 365 CG LEU A 24 -7.354 7.444 0.582 1.00 0.00 C ATOM 366 CD1 LEU A 24 -8.178 8.720 0.404 1.00 0.00 C ATOM 367 CD2 LEU A 24 -8.296 6.257 0.801 1.00 0.00 C ATOM 0 H LEU A 24 -4.232 7.959 -0.156 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.646 5.644 0.543 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -6.096 8.139 -1.033 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -7.139 6.801 -1.470 1.00 0.00 H new ATOM 0 HG LEU A 24 -6.697 7.554 1.445 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -8.777 8.894 1.298 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.509 9.566 0.245 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -8.836 8.611 -0.458 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -8.897 6.429 1.694 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -8.952 6.149 -0.062 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -7.710 5.346 0.927 1.00 0.00 H new ATOM 379 N VAL A 25 -4.595 5.739 -2.590 1.00 0.00 N ATOM 380 CA VAL A 25 -4.376 4.913 -3.773 1.00 0.00 C ATOM 381 C VAL A 25 -3.514 3.702 -3.429 1.00 0.00 C ATOM 382 O VAL A 25 -3.807 2.581 -3.844 1.00 0.00 O ATOM 383 CB VAL A 25 -3.690 5.736 -4.864 1.00 0.00 C ATOM 384 CG1 VAL A 25 -3.425 4.849 -6.083 1.00 0.00 C ATOM 385 CG2 VAL A 25 -4.598 6.900 -5.270 1.00 0.00 C ATOM 0 H VAL A 25 -4.250 6.695 -2.669 1.00 0.00 H new ATOM 0 HA VAL A 25 -5.344 4.565 -4.135 1.00 0.00 H new ATOM 0 HB VAL A 25 -2.745 6.125 -4.485 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -2.936 5.436 -6.861 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -2.780 4.019 -5.795 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -4.370 4.460 -6.462 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -4.110 7.488 -6.048 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -5.543 6.510 -5.649 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.788 7.532 -4.403 1.00 0.00 H new ATOM 395 N VAL A 26 -2.451 3.936 -2.668 1.00 0.00 N ATOM 396 CA VAL A 26 -1.553 2.857 -2.273 1.00 0.00 C ATOM 397 C VAL A 26 -2.294 1.824 -1.432 1.00 0.00 C ATOM 398 O VAL A 26 -2.137 0.619 -1.631 1.00 0.00 O ATOM 399 CB VAL A 26 -0.378 3.422 -1.472 1.00 0.00 C ATOM 400 CG1 VAL A 26 0.297 2.293 -0.692 1.00 0.00 C ATOM 401 CG2 VAL A 26 0.634 4.055 -2.430 1.00 0.00 C ATOM 0 H VAL A 26 -2.191 4.857 -2.314 1.00 0.00 H new ATOM 0 HA VAL A 26 -1.178 2.373 -3.175 1.00 0.00 H new ATOM 0 HB VAL A 26 -0.742 4.178 -0.776 1.00 0.00 H new ATOM 0 HG11 VAL A 26 1.134 2.695 -0.121 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -0.423 1.841 -0.010 1.00 0.00 H new ATOM 0 HG13 VAL A 26 0.662 1.538 -1.388 1.00 0.00 H new ATOM 0 HG21 VAL A 26 1.471 4.458 -1.860 1.00 0.00 H new ATOM 0 HG22 VAL A 26 0.998 3.299 -3.126 1.00 0.00 H new ATOM 0 HG23 VAL A 26 0.154 4.859 -2.987 1.00 0.00 H new ATOM 411 N ILE A 27 -3.104 2.304 -0.493 1.00 0.00 N ATOM 412 CA ILE A 27 -3.871 1.411 0.368 1.00 0.00 C ATOM 413 C ILE A 27 -4.735 0.473 -0.467 1.00 0.00 C ATOM 414 O ILE A 27 -4.841 -0.718 -0.171 1.00 0.00 O ATOM 415 CB ILE A 27 -4.761 2.228 1.305 1.00 0.00 C ATOM 416 CG1 ILE A 27 -3.953 2.652 2.534 1.00 0.00 C ATOM 417 CG2 ILE A 27 -5.953 1.378 1.748 1.00 0.00 C ATOM 418 CD1 ILE A 27 -3.990 1.535 3.580 1.00 0.00 C ATOM 0 H ILE A 27 -3.245 3.297 -0.310 1.00 0.00 H new ATOM 0 HA ILE A 27 -3.173 0.816 0.957 1.00 0.00 H new ATOM 0 HB ILE A 27 -5.121 3.114 0.782 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -2.922 2.864 2.249 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -4.363 3.571 2.953 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -6.587 1.961 2.416 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -6.529 1.075 0.874 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -5.594 0.492 2.271 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -3.415 1.837 4.455 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -5.023 1.345 3.873 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -3.559 0.627 3.158 1.00 0.00 H new ATOM 430 N LEU A 28 -5.350 1.014 -1.512 1.00 0.00 N ATOM 431 CA LEU A 28 -6.200 0.214 -2.387 1.00 0.00 C ATOM 432 C LEU A 28 -5.372 -0.834 -3.124 1.00 0.00 C ATOM 433 O LEU A 28 -5.727 -2.013 -3.149 1.00 0.00 O ATOM 434 CB LEU A 28 -6.904 1.117 -3.401 1.00 0.00 C ATOM 435 CG LEU A 28 -8.403 0.815 -3.400 1.00 0.00 C ATOM 436 CD1 LEU A 28 -9.095 1.658 -4.473 1.00 0.00 C ATOM 437 CD2 LEU A 28 -8.623 -0.670 -3.700 1.00 0.00 C ATOM 0 H LEU A 28 -5.277 1.997 -1.774 1.00 0.00 H new ATOM 0 HA LEU A 28 -6.946 -0.293 -1.774 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -6.733 2.164 -3.151 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -6.490 0.955 -4.396 1.00 0.00 H new ATOM 0 HG LEU A 28 -8.821 1.056 -2.423 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -10.163 1.442 -4.472 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -8.938 2.716 -4.262 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -8.677 1.417 -5.451 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -9.691 -0.887 -3.700 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -8.204 -0.910 -4.677 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -8.130 -1.272 -2.937 1.00 0.00 H new ATOM 449 N VAL A 29 -4.269 -0.399 -3.722 1.00 0.00 N ATOM 450 CA VAL A 29 -3.398 -1.308 -4.456 1.00 0.00 C ATOM 451 C VAL A 29 -2.879 -2.410 -3.537 1.00 0.00 C ATOM 452 O VAL A 29 -2.788 -3.572 -3.934 1.00 0.00 O ATOM 453 CB VAL A 29 -2.218 -0.538 -5.049 1.00 0.00 C ATOM 454 CG1 VAL A 29 -1.289 -1.509 -5.781 1.00 0.00 C ATOM 455 CG2 VAL A 29 -2.740 0.510 -6.036 1.00 0.00 C ATOM 0 H VAL A 29 -3.958 0.572 -3.713 1.00 0.00 H new ATOM 0 HA VAL A 29 -3.975 -1.763 -5.261 1.00 0.00 H new ATOM 0 HB VAL A 29 -1.667 -0.044 -4.249 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -0.448 -0.959 -6.204 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -0.918 -2.256 -5.080 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -1.838 -2.004 -6.582 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -1.900 1.060 -6.460 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -3.290 0.014 -6.836 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -3.402 1.202 -5.515 1.00 0.00 H new ATOM 465 N LEU A 30 -2.540 -2.037 -2.308 1.00 0.00 N ATOM 466 CA LEU A 30 -2.027 -3.001 -1.341 1.00 0.00 C ATOM 467 C LEU A 30 -3.075 -4.069 -1.042 1.00 0.00 C ATOM 468 O LEU A 30 -2.771 -5.260 -1.015 1.00 0.00 O ATOM 469 CB LEU A 30 -1.639 -2.287 -0.045 1.00 0.00 C ATOM 470 CG LEU A 30 -0.684 -3.170 0.759 1.00 0.00 C ATOM 471 CD1 LEU A 30 0.762 -2.777 0.447 1.00 0.00 C ATOM 472 CD2 LEU A 30 -0.952 -2.980 2.253 1.00 0.00 C ATOM 0 H LEU A 30 -2.610 -1.081 -1.959 1.00 0.00 H new ATOM 0 HA LEU A 30 -1.146 -3.481 -1.768 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.164 -1.332 -0.272 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.530 -2.068 0.543 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.842 -4.214 0.490 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.442 -3.407 1.021 1.00 0.00 H new ATOM 0 HD12 LEU A 30 0.954 -2.911 -0.618 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.921 -1.733 0.716 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.272 -3.609 2.828 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.794 -1.935 2.521 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -1.981 -3.260 2.477 1.00 0.00 H new ATOM 484 N LEU A 31 -4.309 -3.632 -0.818 1.00 0.00 N ATOM 485 CA LEU A 31 -5.394 -4.558 -0.512 1.00 0.00 C ATOM 486 C LEU A 31 -5.545 -5.591 -1.623 1.00 0.00 C ATOM 487 O LEU A 31 -5.748 -6.777 -1.359 1.00 0.00 O ATOM 488 CB LEU A 31 -6.707 -3.791 -0.344 1.00 0.00 C ATOM 489 CG LEU A 31 -7.477 -4.349 0.852 1.00 0.00 C ATOM 490 CD1 LEU A 31 -6.754 -3.973 2.147 1.00 0.00 C ATOM 491 CD2 LEU A 31 -8.890 -3.763 0.868 1.00 0.00 C ATOM 0 H LEU A 31 -4.582 -2.650 -0.842 1.00 0.00 H new ATOM 0 HA LEU A 31 -5.154 -5.073 0.418 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.504 -2.730 -0.196 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.309 -3.877 -1.249 1.00 0.00 H new ATOM 0 HG LEU A 31 -7.535 -5.434 0.771 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -7.304 -4.371 3.000 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.748 -4.392 2.137 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -6.695 -2.888 2.229 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -9.439 -4.161 1.721 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -8.833 -2.677 0.948 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -9.406 -4.032 -0.054 1.00 0.00 H new ATOM 503 N THR A 32 -5.446 -5.134 -2.867 1.00 0.00 N ATOM 504 CA THR A 32 -5.571 -6.028 -4.012 1.00 0.00 C ATOM 505 C THR A 32 -4.447 -7.060 -4.013 1.00 0.00 C ATOM 506 O THR A 32 -4.677 -8.243 -4.259 1.00 0.00 O ATOM 507 CB THR A 32 -5.527 -5.223 -5.313 1.00 0.00 C ATOM 508 OG1 THR A 32 -5.390 -3.842 -5.007 1.00 0.00 O ATOM 509 CG2 THR A 32 -6.820 -5.448 -6.099 1.00 0.00 C ATOM 0 H THR A 32 -5.281 -4.157 -3.107 1.00 0.00 H new ATOM 0 HA THR A 32 -6.526 -6.548 -3.939 1.00 0.00 H new ATOM 0 HB THR A 32 -4.679 -5.549 -5.915 1.00 0.00 H new ATOM 0 HG1 THR A 32 -5.360 -3.324 -5.838 1.00 0.00 H new ATOM 0 HG21 THR A 32 -6.787 -4.874 -7.025 1.00 0.00 H new ATOM 0 HG22 THR A 32 -6.924 -6.508 -6.332 1.00 0.00 H new ATOM 0 HG23 THR A 32 -7.671 -5.123 -5.500 1.00 0.00 H new ATOM 517 N VAL A 33 -3.232 -6.601 -3.734 1.00 0.00 N ATOM 518 CA VAL A 33 -2.079 -7.494 -3.700 1.00 0.00 C ATOM 519 C VAL A 33 -2.315 -8.635 -2.715 1.00 0.00 C ATOM 520 O VAL A 33 -2.058 -9.799 -3.026 1.00 0.00 O ATOM 521 CB VAL A 33 -0.826 -6.717 -3.291 1.00 0.00 C ATOM 522 CG1 VAL A 33 0.347 -7.683 -3.131 1.00 0.00 C ATOM 523 CG2 VAL A 33 -0.493 -5.686 -4.371 1.00 0.00 C ATOM 0 H VAL A 33 -3.020 -5.624 -3.530 1.00 0.00 H new ATOM 0 HA VAL A 33 -1.938 -7.911 -4.697 1.00 0.00 H new ATOM 0 HB VAL A 33 -1.007 -6.209 -2.344 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.239 -7.128 -2.840 1.00 0.00 H new ATOM 0 HG12 VAL A 33 0.110 -8.419 -2.362 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.530 -8.193 -4.077 1.00 0.00 H new ATOM 0 HG21 VAL A 33 0.399 -5.131 -4.082 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.312 -6.196 -5.317 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -1.329 -4.995 -4.485 1.00 0.00 H new ATOM 533 N LEU A 34 -2.803 -8.294 -1.527 1.00 0.00 N ATOM 534 CA LEU A 34 -3.070 -9.299 -0.504 1.00 0.00 C ATOM 535 C LEU A 34 -4.179 -10.243 -0.957 1.00 0.00 C ATOM 536 O LEU A 34 -4.121 -11.449 -0.713 1.00 0.00 O ATOM 537 CB LEU A 34 -3.479 -8.619 0.803 1.00 0.00 C ATOM 538 CG LEU A 34 -2.365 -8.786 1.836 1.00 0.00 C ATOM 539 CD1 LEU A 34 -1.064 -8.194 1.287 1.00 0.00 C ATOM 540 CD2 LEU A 34 -2.750 -8.056 3.125 1.00 0.00 C ATOM 0 H LEU A 34 -3.020 -7.337 -1.250 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.160 -9.876 -0.343 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.672 -7.560 0.629 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -4.405 -9.055 1.178 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.223 -9.846 2.046 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.270 -8.314 2.024 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.787 -8.712 0.369 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.207 -7.134 1.076 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.956 -8.175 3.862 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.893 -6.996 2.914 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.676 -8.476 3.518 1.00 0.00 H new ATOM 552 N ALA A 35 -5.189 -9.687 -1.618 1.00 0.00 N ATOM 553 CA ALA A 35 -6.313 -10.488 -2.091 1.00 0.00 C ATOM 554 C ALA A 35 -5.832 -11.576 -3.045 1.00 0.00 C ATOM 555 O ALA A 35 -6.195 -12.745 -2.902 1.00 0.00 O ATOM 556 CB ALA A 35 -7.329 -9.594 -2.805 1.00 0.00 C ATOM 0 H ALA A 35 -5.253 -8.693 -1.837 1.00 0.00 H new ATOM 0 HA ALA A 35 -6.786 -10.959 -1.229 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -8.165 -10.200 -3.155 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -7.695 -8.835 -2.113 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -6.852 -9.109 -3.656 1.00 0.00 H new ATOM 562 N LEU A 36 -5.014 -11.186 -4.016 1.00 0.00 N ATOM 563 CA LEU A 36 -4.490 -12.138 -4.989 1.00 0.00 C ATOM 564 C LEU A 36 -3.622 -13.185 -4.301 1.00 0.00 C ATOM 565 O LEU A 36 -3.739 -14.381 -4.576 1.00 0.00 O ATOM 566 CB LEU A 36 -3.665 -11.402 -6.047 1.00 0.00 C ATOM 567 CG LEU A 36 -4.445 -11.354 -7.362 1.00 0.00 C ATOM 568 CD1 LEU A 36 -5.801 -10.687 -7.128 1.00 0.00 C ATOM 569 CD2 LEU A 36 -3.651 -10.551 -8.395 1.00 0.00 C ATOM 0 H LEU A 36 -4.701 -10.225 -4.150 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.331 -12.639 -5.468 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.440 -10.391 -5.709 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -2.711 -11.908 -6.196 1.00 0.00 H new ATOM 0 HG LEU A 36 -4.600 -12.368 -7.730 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -6.356 -10.653 -8.065 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -6.366 -11.259 -6.392 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -5.649 -9.673 -6.760 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -4.205 -10.516 -9.333 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.496 -9.537 -8.027 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -2.685 -11.028 -8.562 1.00 0.00 H new ATOM 581 N LEU A 37 -2.751 -12.730 -3.407 1.00 0.00 N ATOM 582 CA LEU A 37 -1.868 -13.639 -2.685 1.00 0.00 C ATOM 583 C LEU A 37 -2.678 -14.657 -1.889 1.00 0.00 C ATOM 584 O LEU A 37 -2.356 -15.844 -1.872 1.00 0.00 O ATOM 585 CB LEU A 37 -0.967 -12.846 -1.735 1.00 0.00 C ATOM 586 CG LEU A 37 0.335 -13.615 -1.505 1.00 0.00 C ATOM 587 CD1 LEU A 37 1.374 -13.184 -2.543 1.00 0.00 C ATOM 588 CD2 LEU A 37 0.863 -13.312 -0.101 1.00 0.00 C ATOM 0 H LEU A 37 -2.638 -11.745 -3.166 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.253 -14.171 -3.411 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.752 -11.864 -2.156 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -1.477 -12.681 -0.786 1.00 0.00 H new ATOM 0 HG LEU A 37 0.147 -14.684 -1.602 1.00 0.00 H new ATOM 0 HD11 LEU A 37 2.302 -13.732 -2.379 1.00 0.00 H new ATOM 0 HD12 LEU A 37 0.999 -13.398 -3.544 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.563 -12.115 -2.447 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.791 -13.859 0.065 1.00 0.00 H new ATOM 0 HD22 LEU A 37 1.051 -12.242 -0.006 1.00 0.00 H new ATOM 0 HD23 LEU A 37 0.124 -13.618 0.640 1.00 0.00 H new ATOM 600 N SER A 38 -3.731 -14.183 -1.232 1.00 0.00 N ATOM 601 CA SER A 38 -4.588 -15.062 -0.445 1.00 0.00 C ATOM 602 C SER A 38 -5.197 -16.148 -1.328 1.00 0.00 C ATOM 603 O SER A 38 -5.157 -17.331 -0.989 1.00 0.00 O ATOM 604 CB SER A 38 -5.704 -14.253 0.213 1.00 0.00 C ATOM 605 OG SER A 38 -6.948 -14.596 -0.384 1.00 0.00 O ATOM 0 H SER A 38 -4.010 -13.202 -1.228 1.00 0.00 H new ATOM 0 HA SER A 38 -3.980 -15.534 0.326 1.00 0.00 H new ATOM 0 HB2 SER A 38 -5.733 -14.456 1.284 1.00 0.00 H new ATOM 0 HB3 SER A 38 -5.513 -13.186 0.096 1.00 0.00 H new ATOM 0 HG SER A 38 -7.666 -14.080 0.037 1.00 0.00 H new ATOM 611 N HIS A 39 -5.755 -15.737 -2.461 1.00 0.00 N ATOM 612 CA HIS A 39 -6.373 -16.683 -3.383 1.00 0.00 C ATOM 613 C HIS A 39 -5.350 -17.708 -3.863 1.00 0.00 C ATOM 614 O HIS A 39 -5.644 -18.899 -3.951 1.00 0.00 O ATOM 615 CB HIS A 39 -6.954 -15.937 -4.585 1.00 0.00 C ATOM 616 CG HIS A 39 -7.728 -16.898 -5.445 1.00 0.00 C ATOM 617 ND1 HIS A 39 -8.714 -17.724 -4.928 1.00 0.00 N ATOM 618 CD2 HIS A 39 -7.674 -17.174 -6.789 1.00 0.00 C ATOM 619 CE1 HIS A 39 -9.207 -18.452 -5.946 1.00 0.00 C ATOM 620 NE2 HIS A 39 -8.609 -18.157 -7.102 1.00 0.00 N ATOM 0 H HIS A 39 -5.792 -14.763 -2.762 1.00 0.00 H new ATOM 0 HA HIS A 39 -7.174 -17.204 -2.858 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -7.604 -15.130 -4.246 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -6.152 -15.478 -5.164 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -7.008 -16.701 -7.495 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -9.992 -19.186 -5.841 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -8.797 -18.564 -8.018 1.00 0.00 H new ATOM 628 N ARG A 40 -4.147 -17.234 -4.174 1.00 0.00 N ATOM 629 CA ARG A 40 -3.093 -18.116 -4.661 1.00 0.00 C ATOM 630 C ARG A 40 -2.750 -19.172 -3.618 1.00 0.00 C ATOM 631 O ARG A 40 -2.593 -20.350 -3.939 1.00 0.00 O ATOM 632 CB ARG A 40 -1.841 -17.300 -4.995 1.00 0.00 C ATOM 633 CG ARG A 40 -0.922 -18.122 -5.900 1.00 0.00 C ATOM 634 CD ARG A 40 -1.137 -17.708 -7.356 1.00 0.00 C ATOM 635 NE ARG A 40 -0.627 -18.740 -8.254 1.00 0.00 N ATOM 636 CZ ARG A 40 -0.938 -18.740 -9.546 1.00 0.00 C ATOM 637 NH1 ARG A 40 -1.711 -17.809 -10.033 1.00 0.00 N ATOM 638 NH2 ARG A 40 -0.470 -19.674 -10.329 1.00 0.00 N ATOM 0 H ARG A 40 -3.880 -16.253 -4.098 1.00 0.00 H new ATOM 0 HA ARG A 40 -3.452 -18.616 -5.561 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -2.121 -16.371 -5.491 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -1.317 -17.027 -4.079 1.00 0.00 H new ATOM 0 HG2 ARG A 40 0.119 -17.967 -5.617 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -1.130 -19.185 -5.778 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -2.199 -17.545 -7.543 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -0.631 -16.763 -7.552 1.00 0.00 H new ATOM 0 HE ARG A 40 -0.022 -19.473 -7.884 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -2.078 -17.079 -9.422 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -1.949 -17.811 -11.025 1.00 0.00 H new ATOM 0 HH21 ARG A 40 0.134 -20.403 -9.949 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -0.708 -19.675 -11.321 1.00 0.00 H new ATOM 652 N ARG A 41 -2.637 -18.743 -2.365 1.00 0.00 N ATOM 653 CA ARG A 41 -2.318 -19.663 -1.278 1.00 0.00 C ATOM 654 C ARG A 41 -3.440 -20.678 -1.088 1.00 0.00 C ATOM 655 O ARG A 41 -3.188 -21.860 -0.854 1.00 0.00 O ATOM 656 CB ARG A 41 -2.106 -18.884 0.021 1.00 0.00 C ATOM 657 CG ARG A 41 -0.855 -18.012 -0.103 1.00 0.00 C ATOM 658 CD ARG A 41 0.177 -18.450 0.937 1.00 0.00 C ATOM 659 NE ARG A 41 -0.416 -18.445 2.269 1.00 0.00 N ATOM 660 CZ ARG A 41 -0.477 -17.330 2.990 1.00 0.00 C ATOM 661 NH1 ARG A 41 -0.004 -16.214 2.506 1.00 0.00 N ATOM 662 NH2 ARG A 41 -1.014 -17.350 4.179 1.00 0.00 N ATOM 0 H ARG A 41 -2.760 -17.772 -2.078 1.00 0.00 H new ATOM 0 HA ARG A 41 -1.402 -20.195 -1.535 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -2.976 -18.262 0.230 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -1.999 -19.574 0.858 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -0.436 -18.099 -1.106 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -1.113 -16.963 0.045 1.00 0.00 H new ATOM 0 HD2 ARG A 41 0.543 -19.448 0.698 1.00 0.00 H new ATOM 0 HD3 ARG A 41 1.037 -17.780 0.911 1.00 0.00 H new ATOM 0 HE ARG A 41 -0.790 -19.312 2.654 1.00 0.00 H new ATOM 0 HH11 ARG A 41 0.412 -16.198 1.575 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -0.051 -15.358 3.059 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -1.387 -18.221 4.555 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -1.061 -16.494 4.732 1.00 0.00 H new ATOM 676 N ALA A 42 -4.679 -20.210 -1.193 1.00 0.00 N ATOM 677 CA ALA A 42 -5.834 -21.086 -1.030 1.00 0.00 C ATOM 678 C ALA A 42 -5.877 -22.126 -2.145 1.00 0.00 C ATOM 679 O ALA A 42 -6.162 -23.299 -1.901 1.00 0.00 O ATOM 680 CB ALA A 42 -7.122 -20.261 -1.049 1.00 0.00 C ATOM 0 H ALA A 42 -4.909 -19.236 -1.389 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.746 -21.599 -0.072 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -7.980 -20.923 -0.927 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -7.103 -19.537 -0.234 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -7.203 -19.734 -2.000 1.00 0.00 H new ATOM 686 N LEU A 43 -5.593 -21.688 -3.367 1.00 0.00 N ATOM 687 CA LEU A 43 -5.622 -22.588 -4.515 1.00 0.00 C ATOM 688 C LEU A 43 -4.533 -23.649 -4.393 1.00 0.00 C ATOM 689 O LEU A 43 -4.720 -24.794 -4.805 1.00 0.00 O ATOM 690 CB LEU A 43 -5.419 -21.793 -5.807 1.00 0.00 C ATOM 691 CG LEU A 43 -6.612 -22.015 -6.737 1.00 0.00 C ATOM 692 CD1 LEU A 43 -6.455 -21.146 -7.986 1.00 0.00 C ATOM 693 CD2 LEU A 43 -6.672 -23.488 -7.145 1.00 0.00 C ATOM 0 H LEU A 43 -5.342 -20.724 -3.587 1.00 0.00 H new ATOM 0 HA LEU A 43 -6.593 -23.082 -4.540 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -5.314 -20.732 -5.581 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -4.498 -22.107 -6.299 1.00 0.00 H new ATOM 0 HG LEU A 43 -7.532 -21.743 -6.219 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -7.306 -21.305 -8.649 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -6.412 -20.096 -7.696 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -5.535 -21.417 -8.505 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -7.522 -23.648 -7.808 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -5.752 -23.760 -7.663 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -6.784 -24.108 -6.255 1.00 0.00 H new ATOM 705 N LYS A 44 -3.397 -23.261 -3.822 1.00 0.00 N ATOM 706 CA LYS A 44 -2.287 -24.190 -3.646 1.00 0.00 C ATOM 707 C LYS A 44 -2.658 -25.286 -2.652 1.00 0.00 C ATOM 708 O LYS A 44 -2.478 -26.473 -2.927 1.00 0.00 O ATOM 709 CB LYS A 44 -1.053 -23.439 -3.143 1.00 0.00 C ATOM 710 CG LYS A 44 0.194 -24.299 -3.362 1.00 0.00 C ATOM 711 CD LYS A 44 1.418 -23.578 -2.796 1.00 0.00 C ATOM 712 CE LYS A 44 2.687 -24.148 -3.432 1.00 0.00 C ATOM 713 NZ LYS A 44 2.906 -23.510 -4.762 1.00 0.00 N ATOM 0 H LYS A 44 -3.222 -22.318 -3.476 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.065 -24.649 -4.609 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -0.951 -22.491 -3.671 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -1.164 -23.204 -2.084 1.00 0.00 H new ATOM 0 HG2 LYS A 44 0.071 -25.266 -2.875 1.00 0.00 H new ATOM 0 HG3 LYS A 44 0.333 -24.493 -4.426 1.00 0.00 H new ATOM 0 HD2 LYS A 44 1.348 -22.509 -2.995 1.00 0.00 H new ATOM 0 HD3 LYS A 44 1.456 -23.699 -1.713 1.00 0.00 H new ATOM 0 HE2 LYS A 44 3.544 -23.966 -2.784 1.00 0.00 H new ATOM 0 HE3 LYS A 44 2.596 -25.228 -3.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 3.525 -24.115 -5.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 1.992 -23.389 -5.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 3.354 -22.581 -4.632 1.00 0.00 H new ATOM 727 N GLN A 45 -3.178 -24.880 -1.498 1.00 0.00 N ATOM 728 CA GLN A 45 -3.581 -25.838 -0.474 1.00 0.00 C ATOM 729 C GLN A 45 -4.559 -26.858 -1.051 1.00 0.00 C ATOM 730 O GLN A 45 -4.452 -28.054 -0.784 1.00 0.00 O ATOM 731 CB GLN A 45 -4.236 -25.105 0.698 1.00 0.00 C ATOM 732 CG GLN A 45 -4.567 -26.106 1.805 1.00 0.00 C ATOM 733 CD GLN A 45 -4.466 -25.429 3.168 1.00 0.00 C ATOM 734 OE1 GLN A 45 -4.317 -24.210 3.246 1.00 0.00 O ATOM 735 NE2 GLN A 45 -4.541 -26.151 4.253 1.00 0.00 N ATOM 0 H GLN A 45 -3.329 -23.902 -1.249 1.00 0.00 H new ATOM 0 HA GLN A 45 -2.692 -26.362 -0.122 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -3.566 -24.334 1.079 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -5.144 -24.602 0.365 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -5.572 -26.502 1.660 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -3.881 -26.952 1.758 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -4.665 -27.161 4.186 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -4.476 -25.705 5.168 1.00 0.00 H new ATOM 744 N LYS A 46 -5.511 -26.374 -1.842 1.00 0.00 N ATOM 745 CA LYS A 46 -6.500 -27.254 -2.454 1.00 0.00 C ATOM 746 C LYS A 46 -5.817 -28.310 -3.319 1.00 0.00 C ATOM 747 O LYS A 46 -6.126 -29.497 -3.227 1.00 0.00 O ATOM 748 CB LYS A 46 -7.466 -26.436 -3.313 1.00 0.00 C ATOM 749 CG LYS A 46 -8.197 -25.420 -2.432 1.00 0.00 C ATOM 750 CD LYS A 46 -9.684 -25.774 -2.371 1.00 0.00 C ATOM 751 CE LYS A 46 -10.383 -24.871 -1.352 1.00 0.00 C ATOM 752 NZ LYS A 46 -10.552 -25.608 -0.069 1.00 0.00 N ATOM 0 H LYS A 46 -5.619 -25.386 -2.073 1.00 0.00 H new ATOM 0 HA LYS A 46 -7.054 -27.754 -1.660 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -6.920 -25.921 -4.104 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -8.185 -27.095 -3.799 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -7.771 -25.420 -1.429 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -8.068 -24.415 -2.834 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -10.139 -25.651 -3.354 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -9.808 -26.820 -2.091 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -9.797 -23.966 -1.190 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -11.354 -24.557 -1.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -11.027 -24.995 0.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -11.128 -26.459 -0.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -9.619 -25.886 0.297 1.00 0.00 H new ATOM 766 N ILE A 47 -4.886 -27.867 -4.159 1.00 0.00 N ATOM 767 CA ILE A 47 -4.165 -28.782 -5.035 1.00 0.00 C ATOM 768 C ILE A 47 -2.902 -29.297 -4.349 1.00 0.00 C ATOM 769 O ILE A 47 -2.099 -30.005 -4.956 1.00 0.00 O ATOM 770 CB ILE A 47 -3.787 -28.073 -6.336 1.00 0.00 C ATOM 771 CG1 ILE A 47 -3.682 -29.101 -7.464 1.00 0.00 C ATOM 772 CG2 ILE A 47 -2.441 -27.368 -6.162 1.00 0.00 C ATOM 773 CD1 ILE A 47 -3.213 -28.409 -8.744 1.00 0.00 C ATOM 0 H ILE A 47 -4.615 -26.888 -4.251 1.00 0.00 H new ATOM 0 HA ILE A 47 -4.815 -29.628 -5.259 1.00 0.00 H new ATOM 0 HB ILE A 47 -4.552 -27.337 -6.584 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -2.982 -29.890 -7.187 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -4.649 -29.576 -7.628 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -2.172 -26.863 -7.090 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -2.515 -26.635 -5.358 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -1.675 -28.103 -5.914 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -3.138 -29.142 -9.547 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -3.929 -27.636 -9.023 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -2.237 -27.955 -8.575 1.00 0.00 H new ATOM 785 N TRP A 48 -2.733 -28.932 -3.081 1.00 0.00 N ATOM 786 CA TRP A 48 -1.565 -29.364 -2.322 1.00 0.00 C ATOM 787 C TRP A 48 -1.890 -29.436 -0.834 1.00 0.00 C ATOM 788 O TRP A 48 -1.460 -28.588 -0.052 1.00 0.00 O ATOM 789 CB TRP A 48 -0.407 -28.390 -2.548 1.00 0.00 C ATOM 790 CG TRP A 48 0.886 -29.076 -2.242 1.00 0.00 C ATOM 791 CD1 TRP A 48 1.533 -29.923 -3.074 1.00 0.00 C ATOM 792 CD2 TRP A 48 1.699 -28.986 -1.036 1.00 0.00 C ATOM 793 NE1 TRP A 48 2.691 -30.360 -2.456 1.00 0.00 N ATOM 794 CE2 TRP A 48 2.837 -29.810 -1.197 1.00 0.00 C ATOM 795 CE3 TRP A 48 1.560 -28.276 0.172 1.00 0.00 C ATOM 796 CZ2 TRP A 48 3.805 -29.926 -0.198 1.00 0.00 C ATOM 797 CZ3 TRP A 48 2.531 -28.392 1.179 1.00 0.00 C ATOM 798 CH2 TRP A 48 3.650 -29.215 0.994 1.00 0.00 C ATOM 0 H TRP A 48 -3.384 -28.343 -2.562 1.00 0.00 H new ATOM 0 HA TRP A 48 -1.277 -30.357 -2.667 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -0.409 -28.038 -3.580 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -0.526 -27.513 -1.912 1.00 0.00 H new ATOM 0 HD1 TRP A 48 1.200 -30.211 -4.060 1.00 0.00 H new ATOM 0 HE1 TRP A 48 3.355 -31.009 -2.878 1.00 0.00 H new ATOM 0 HE3 TRP A 48 0.702 -27.639 0.325 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 4.667 -30.560 -0.346 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 2.415 -27.844 2.102 1.00 0.00 H new ATOM 0 HH2 TRP A 48 4.393 -29.299 1.773 1.00 0.00 H new ATOM 809 N PRO A 49 -2.637 -30.428 -0.437 1.00 0.00 N ATOM 810 CA PRO A 49 -3.043 -30.618 0.985 1.00 0.00 C ATOM 811 C PRO A 49 -1.838 -30.712 1.918 1.00 0.00 C ATOM 812 O PRO A 49 -1.116 -31.691 1.826 1.00 0.00 O ATOM 813 CB PRO A 49 -3.825 -31.931 0.969 1.00 0.00 C ATOM 814 CG PRO A 49 -4.273 -32.111 -0.444 1.00 0.00 C ATOM 815 CD PRO A 49 -3.178 -31.483 -1.308 1.00 0.00 C ATOM 816 OXT PRO A 49 -1.656 -29.803 2.711 1.00 0.00 O ATOM 0 HA PRO A 49 -3.626 -29.777 1.360 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -3.200 -32.764 1.292 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -4.676 -31.889 1.648 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -4.403 -33.167 -0.682 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -5.234 -31.625 -0.615 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -2.414 -32.210 -1.584 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -3.580 -31.075 -2.236 1.00 0.00 H new TER 824 PRO A 49