USER MOD reduce.3.24.130724 H: found=0, std=0, add=458, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 460 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 4 ASN : amide:sc= -0.543 X(o=-0.54,f=-0.13) USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 THR OG1 : rot 103:sc= 0.81 USER MOD Single : A 10 LYS NZ :NH3+ -119:sc= -0.283 (180deg=-1.95!) USER MOD Single : A 13 GLN : amide:sc= 0.672 K(o=0.67,f=-0.16) USER MOD Single : A 17 GLN : amide:sc= 0.294 X(o=0.29,f=0) USER MOD Single : A 18 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0113) USER MOD Single : A 19 LYS NZ :NH3+ -116:sc= 0 (180deg=-0.157) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 ASN : amide:sc= 0.785 K(o=0.78,f=0) USER MOD Single : A 27 SER OG : rot -42:sc= 0.127 USER MOD Single : A3291 THR OG1 : rot 180:sc= 0 USER MOD Single : A3295 GLN : amide:sc= -0.0707 X(o=-0.071,f=-0.071) USER MOD Single : A3299 SER OG : rot 180:sc= 0 USER MOD Single : A3301 GLN : amide:sc= -1.06! K(o=-1.1!,f=-0.075) USER MOD Single : A3302 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A3306 ASN : amide:sc= 0.494 K(o=0.49,f=-0.12) USER MOD Single : A3308 SER OG : rot 180:sc= 0 USER MOD Single : A3315 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A3317 ASN : amide:sc= -0.319 X(o=-0.32,f=-0.044) USER MOD ----------------------------------------------------------------- ATOM 32 N ILE A 3 -22.523 10.031 -3.660 1.00 0.00 N ATOM 33 CA ILE A 3 -21.447 9.546 -4.504 1.00 0.00 C ATOM 34 C ILE A 3 -20.776 8.308 -3.894 1.00 0.00 C ATOM 35 O ILE A 3 -20.636 8.175 -2.673 1.00 0.00 O ATOM 36 CB ILE A 3 -20.478 10.704 -4.804 1.00 0.00 C ATOM 37 CG1 ILE A 3 -19.451 10.266 -5.864 1.00 0.00 C ATOM 38 CG2 ILE A 3 -19.810 11.230 -3.521 1.00 0.00 C ATOM 39 CD1 ILE A 3 -18.885 11.452 -6.639 1.00 0.00 C ATOM 0 HA ILE A 3 -21.843 9.205 -5.460 1.00 0.00 H new ATOM 0 HB ILE A 3 -21.045 11.540 -5.213 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -18.636 9.729 -5.379 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -19.922 9.571 -6.559 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -19.133 12.047 -3.772 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -20.575 11.591 -2.834 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -19.248 10.425 -3.047 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -18.165 11.095 -7.375 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -19.695 11.975 -7.147 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -18.390 12.135 -5.949 1.00 0.00 H new ATOM 51 N ASN A 4 -20.297 7.425 -4.765 1.00 0.00 N ATOM 52 CA ASN A 4 -19.636 6.168 -4.432 1.00 0.00 C ATOM 53 C ASN A 4 -18.147 6.206 -4.762 1.00 0.00 C ATOM 54 O ASN A 4 -17.350 5.983 -3.860 1.00 0.00 O ATOM 55 CB ASN A 4 -20.372 4.988 -5.094 1.00 0.00 C ATOM 56 CG ASN A 4 -20.688 5.263 -6.550 1.00 0.00 C ATOM 57 OD1 ASN A 4 -21.733 5.826 -6.877 1.00 0.00 O ATOM 58 ND2 ASN A 4 -19.739 5.056 -7.432 1.00 0.00 N ATOM 0 H ASN A 4 -20.363 7.574 -5.772 1.00 0.00 H new ATOM 0 HA ASN A 4 -19.692 6.019 -3.354 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -19.759 4.090 -5.019 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -21.297 4.788 -4.553 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -19.864 5.362 -8.397 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -18.876 4.589 -7.153 1.00 0.00 H new ATOM 65 N GLU A 5 -17.754 6.635 -5.965 1.00 0.00 N ATOM 66 CA GLU A 5 -16.346 6.687 -6.388 1.00 0.00 C ATOM 67 C GLU A 5 -15.507 7.568 -5.461 1.00 0.00 C ATOM 68 O GLU A 5 -14.346 7.272 -5.184 1.00 0.00 O ATOM 69 CB GLU A 5 -16.213 7.216 -7.819 1.00 0.00 C ATOM 70 CG GLU A 5 -16.827 6.280 -8.862 1.00 0.00 C ATOM 71 CD GLU A 5 -16.308 6.631 -10.253 1.00 0.00 C ATOM 72 OE1 GLU A 5 -15.284 6.045 -10.683 1.00 0.00 O ATOM 73 OE2 GLU A 5 -16.891 7.539 -10.895 1.00 0.00 O ATOM 0 H GLU A 5 -18.406 6.959 -6.679 1.00 0.00 H new ATOM 0 HA GLU A 5 -15.974 5.663 -6.341 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -16.695 8.192 -7.886 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -15.158 7.365 -8.049 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -16.580 5.245 -8.624 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -17.914 6.361 -8.840 1.00 0.00 H new ATOM 80 N GLN A 6 -16.102 8.655 -4.972 1.00 0.00 N ATOM 81 CA GLN A 6 -15.437 9.570 -4.063 1.00 0.00 C ATOM 82 C GLN A 6 -15.303 8.904 -2.694 1.00 0.00 C ATOM 83 O GLN A 6 -14.259 9.022 -2.066 1.00 0.00 O ATOM 84 CB GLN A 6 -16.247 10.862 -3.956 1.00 0.00 C ATOM 85 CG GLN A 6 -15.414 12.022 -3.415 1.00 0.00 C ATOM 86 CD GLN A 6 -16.251 13.292 -3.272 1.00 0.00 C ATOM 87 OE1 GLN A 6 -16.481 13.793 -2.171 1.00 0.00 O ATOM 88 NE2 GLN A 6 -16.766 13.818 -4.372 1.00 0.00 N ATOM 0 H GLN A 6 -17.060 8.921 -5.199 1.00 0.00 H new ATOM 0 HA GLN A 6 -14.443 9.814 -4.438 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -16.639 11.126 -4.938 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -17.105 10.698 -3.304 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -14.995 11.750 -2.446 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -14.574 12.212 -4.084 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -16.570 13.396 -5.279 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -17.359 14.646 -4.312 1.00 0.00 H new ATOM 97 N THR A 7 -16.345 8.201 -2.236 1.00 0.00 N ATOM 98 CA THR A 7 -16.336 7.526 -0.947 1.00 0.00 C ATOM 99 C THR A 7 -15.197 6.511 -0.862 1.00 0.00 C ATOM 100 O THR A 7 -14.596 6.416 0.196 1.00 0.00 O ATOM 101 CB THR A 7 -17.673 6.829 -0.678 1.00 0.00 C ATOM 102 OG1 THR A 7 -18.746 7.757 -0.609 1.00 0.00 O ATOM 103 CG2 THR A 7 -17.651 6.058 0.644 1.00 0.00 C ATOM 0 H THR A 7 -17.216 8.088 -2.754 1.00 0.00 H new ATOM 0 HA THR A 7 -16.180 8.289 -0.185 1.00 0.00 H new ATOM 0 HB THR A 7 -17.822 6.144 -1.513 1.00 0.00 H new ATOM 0 HG1 THR A 7 -19.262 7.723 -1.442 1.00 0.00 H new ATOM 0 HG21 THR A 7 -18.616 5.577 0.801 1.00 0.00 H new ATOM 0 HG22 THR A 7 -16.869 5.300 0.610 1.00 0.00 H new ATOM 0 HG23 THR A 7 -17.452 6.748 1.464 1.00 0.00 H new ATOM 111 N LEU A 8 -14.809 5.841 -1.952 1.00 0.00 N ATOM 112 CA LEU A 8 -13.735 4.849 -1.969 1.00 0.00 C ATOM 113 C LEU A 8 -12.481 5.491 -1.356 1.00 0.00 C ATOM 114 O LEU A 8 -11.678 4.773 -0.781 1.00 0.00 O ATOM 115 CB LEU A 8 -13.421 4.408 -3.410 1.00 0.00 C ATOM 116 CG LEU A 8 -14.604 4.088 -4.341 1.00 0.00 C ATOM 117 CD1 LEU A 8 -14.144 3.621 -5.723 1.00 0.00 C ATOM 118 CD2 LEU A 8 -15.551 3.065 -3.736 1.00 0.00 C ATOM 0 H LEU A 8 -15.243 5.978 -2.865 1.00 0.00 H new ATOM 0 HA LEU A 8 -14.044 3.972 -1.400 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -12.830 5.195 -3.879 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -12.788 3.522 -3.358 1.00 0.00 H new ATOM 0 HG LEU A 8 -15.147 5.025 -4.462 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -15.014 3.407 -6.343 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -13.548 4.404 -6.192 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -13.542 2.718 -5.620 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -16.369 2.872 -4.430 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -15.011 2.138 -3.545 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -15.953 3.451 -2.799 1.00 0.00 H new ATOM 130 N ASP A 9 -12.292 6.818 -1.459 1.00 0.00 N ATOM 131 CA ASP A 9 -11.147 7.557 -0.908 1.00 0.00 C ATOM 132 C ASP A 9 -10.968 7.238 0.574 1.00 0.00 C ATOM 133 O ASP A 9 -9.840 6.988 1.011 1.00 0.00 O ATOM 134 CB ASP A 9 -11.341 9.077 -1.055 1.00 0.00 C ATOM 135 CG ASP A 9 -10.182 9.907 -0.479 1.00 0.00 C ATOM 136 OD1 ASP A 9 -10.079 10.071 0.760 1.00 0.00 O ATOM 137 OD2 ASP A 9 -9.372 10.445 -1.268 1.00 0.00 O ATOM 0 H ASP A 9 -12.954 7.423 -1.944 1.00 0.00 H new ATOM 0 HA ASP A 9 -10.265 7.248 -1.469 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -11.459 9.319 -2.111 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -12.266 9.366 -0.556 1.00 0.00 H new ATOM 142 N LYS A 10 -12.063 7.212 1.349 1.00 0.00 N ATOM 143 CA LYS A 10 -11.966 6.914 2.779 1.00 0.00 C ATOM 144 C LYS A 10 -11.605 5.454 3.019 1.00 0.00 C ATOM 145 O LYS A 10 -11.151 5.102 4.113 1.00 0.00 O ATOM 146 CB LYS A 10 -13.214 7.355 3.558 1.00 0.00 C ATOM 147 CG LYS A 10 -14.375 6.366 3.465 1.00 0.00 C ATOM 148 CD LYS A 10 -15.679 6.793 4.114 1.00 0.00 C ATOM 149 CE LYS A 10 -15.535 6.865 5.627 1.00 0.00 C ATOM 150 NZ LYS A 10 -14.954 8.151 6.074 1.00 0.00 N ATOM 0 H LYS A 10 -13.009 7.391 1.013 1.00 0.00 H new ATOM 0 HA LYS A 10 -11.146 7.512 3.178 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -12.948 7.492 4.606 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -13.542 8.324 3.183 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -14.568 6.164 2.411 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -14.060 5.426 3.918 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -15.981 7.766 3.727 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -16.468 6.087 3.853 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -16.513 6.730 6.090 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -14.904 6.045 5.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -14.058 7.973 6.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -14.776 8.757 5.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -15.618 8.627 6.717 1.00 0.00 H new ATOM 164 N LEU A 11 -11.984 4.577 2.092 1.00 0.00 N ATOM 165 CA LEU A 11 -11.717 3.157 2.160 1.00 0.00 C ATOM 166 C LEU A 11 -10.252 2.884 1.808 1.00 0.00 C ATOM 167 O LEU A 11 -9.520 2.310 2.606 1.00 0.00 O ATOM 168 CB LEU A 11 -12.689 2.368 1.255 1.00 0.00 C ATOM 169 CG LEU A 11 -14.162 2.223 1.686 1.00 0.00 C ATOM 170 CD1 LEU A 11 -14.371 1.869 3.155 1.00 0.00 C ATOM 171 CD2 LEU A 11 -15.018 3.438 1.357 1.00 0.00 C ATOM 0 H LEU A 11 -12.498 4.850 1.254 1.00 0.00 H new ATOM 0 HA LEU A 11 -11.886 2.811 3.180 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -12.679 2.839 0.272 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -12.282 1.364 1.132 1.00 0.00 H new ATOM 0 HG LEU A 11 -14.491 1.375 1.086 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -15.438 1.789 3.362 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -13.887 0.917 3.372 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -13.937 2.648 3.782 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -16.041 3.263 1.689 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -14.616 4.315 1.865 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -15.010 3.608 0.280 1.00 0.00 H new ATOM 183 N ARG A 12 -9.765 3.333 0.651 1.00 0.00 N ATOM 184 CA ARG A 12 -8.386 3.104 0.205 1.00 0.00 C ATOM 185 C ARG A 12 -7.362 3.651 1.180 1.00 0.00 C ATOM 186 O ARG A 12 -6.400 2.959 1.484 1.00 0.00 O ATOM 187 CB ARG A 12 -8.183 3.568 -1.245 1.00 0.00 C ATOM 188 CG ARG A 12 -8.787 4.939 -1.563 1.00 0.00 C ATOM 189 CD ARG A 12 -7.925 5.861 -2.408 1.00 0.00 C ATOM 190 NE ARG A 12 -7.623 7.143 -1.755 1.00 0.00 N ATOM 191 CZ ARG A 12 -7.125 8.205 -2.398 1.00 0.00 C ATOM 192 NH1 ARG A 12 -7.003 8.228 -3.717 1.00 0.00 N ATOM 193 NH2 ARG A 12 -6.722 9.259 -1.713 1.00 0.00 N ATOM 0 H ARG A 12 -10.322 3.872 -0.012 1.00 0.00 H new ATOM 0 HA ARG A 12 -8.212 2.028 0.201 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -7.114 3.598 -1.458 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -8.621 2.828 -1.915 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -9.736 4.787 -2.078 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -9.012 5.443 -0.623 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -6.990 5.354 -2.646 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -8.432 6.054 -3.353 1.00 0.00 H new ATOM 0 HE ARG A 12 -7.803 7.228 -0.755 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -7.293 7.421 -4.270 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -6.620 9.052 -4.179 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -6.791 9.263 -0.695 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -6.342 10.070 -2.201 1.00 0.00 H new ATOM 207 N GLN A 13 -7.584 4.837 1.737 1.00 0.00 N ATOM 208 CA GLN A 13 -6.683 5.438 2.716 1.00 0.00 C ATOM 209 C GLN A 13 -6.527 4.525 3.945 1.00 0.00 C ATOM 210 O GLN A 13 -5.493 4.558 4.611 1.00 0.00 O ATOM 211 CB GLN A 13 -7.121 6.871 3.028 1.00 0.00 C ATOM 212 CG GLN A 13 -8.455 6.977 3.766 1.00 0.00 C ATOM 213 CD GLN A 13 -8.357 6.916 5.283 1.00 0.00 C ATOM 214 OE1 GLN A 13 -7.602 7.645 5.918 1.00 0.00 O ATOM 215 NE2 GLN A 13 -9.139 6.060 5.912 1.00 0.00 N ATOM 0 H GLN A 13 -8.398 5.412 1.521 1.00 0.00 H new ATOM 0 HA GLN A 13 -5.679 5.524 2.301 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -6.348 7.352 3.628 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -7.191 7.428 2.094 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -8.935 7.915 3.485 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -9.106 6.172 3.426 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -9.765 5.456 5.380 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -9.117 6.002 6.930 1.00 0.00 H new ATOM 224 N ALA A 14 -7.560 3.747 4.289 1.00 0.00 N ATOM 225 CA ALA A 14 -7.522 2.822 5.411 1.00 0.00 C ATOM 226 C ALA A 14 -6.690 1.594 5.018 1.00 0.00 C ATOM 227 O ALA A 14 -5.829 1.140 5.776 1.00 0.00 O ATOM 228 CB ALA A 14 -8.944 2.381 5.768 1.00 0.00 C ATOM 0 H ALA A 14 -8.449 3.747 3.789 1.00 0.00 H new ATOM 0 HA ALA A 14 -7.073 3.314 6.274 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -8.910 1.688 6.609 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -9.538 3.253 6.040 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -9.398 1.887 4.909 1.00 0.00 H new ATOM 234 N VAL A 15 -6.944 1.046 3.822 1.00 0.00 N ATOM 235 CA VAL A 15 -6.224 -0.127 3.335 1.00 0.00 C ATOM 236 C VAL A 15 -4.744 0.202 3.139 1.00 0.00 C ATOM 237 O VAL A 15 -3.887 -0.614 3.471 1.00 0.00 O ATOM 238 CB VAL A 15 -6.868 -0.745 2.084 1.00 0.00 C ATOM 239 CG1 VAL A 15 -6.264 -2.125 1.788 1.00 0.00 C ATOM 240 CG2 VAL A 15 -8.374 -0.926 2.233 1.00 0.00 C ATOM 0 H VAL A 15 -7.647 1.402 3.175 1.00 0.00 H new ATOM 0 HA VAL A 15 -6.294 -0.901 4.099 1.00 0.00 H new ATOM 0 HB VAL A 15 -6.669 -0.048 1.270 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -6.734 -2.545 0.899 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -5.192 -2.024 1.619 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -6.437 -2.787 2.636 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -8.780 -1.366 1.322 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -8.580 -1.585 3.077 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -8.841 0.043 2.407 1.00 0.00 H new ATOM 250 N LEU A 16 -4.411 1.399 2.651 1.00 0.00 N ATOM 251 CA LEU A 16 -3.006 1.763 2.477 1.00 0.00 C ATOM 252 C LEU A 16 -2.326 1.791 3.848 1.00 0.00 C ATOM 253 O LEU A 16 -1.254 1.219 3.988 1.00 0.00 O ATOM 254 CB LEU A 16 -2.787 3.008 1.593 1.00 0.00 C ATOM 255 CG LEU A 16 -3.014 4.415 2.154 1.00 0.00 C ATOM 256 CD1 LEU A 16 -1.750 4.968 2.824 1.00 0.00 C ATOM 257 CD2 LEU A 16 -3.451 5.343 1.005 1.00 0.00 C ATOM 0 H LEU A 16 -5.080 2.118 2.375 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.506 0.994 1.888 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.759 2.968 1.232 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.435 2.901 0.723 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.791 4.365 2.916 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.950 5.968 3.210 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.458 4.314 3.646 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.942 5.016 2.094 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.616 6.349 1.392 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.672 5.371 0.243 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -4.375 4.967 0.565 1.00 0.00 H new ATOM 269 N GLN A 17 -2.976 2.335 4.889 1.00 0.00 N ATOM 270 CA GLN A 17 -2.391 2.389 6.230 1.00 0.00 C ATOM 271 C GLN A 17 -2.028 0.991 6.742 1.00 0.00 C ATOM 272 O GLN A 17 -0.895 0.807 7.191 1.00 0.00 O ATOM 273 CB GLN A 17 -3.321 3.133 7.201 1.00 0.00 C ATOM 274 CG GLN A 17 -3.166 4.644 7.005 1.00 0.00 C ATOM 275 CD GLN A 17 -4.200 5.455 7.761 1.00 0.00 C ATOM 276 OE1 GLN A 17 -4.204 5.515 8.988 1.00 0.00 O ATOM 277 NE2 GLN A 17 -5.100 6.104 7.055 1.00 0.00 N ATOM 0 H GLN A 17 -3.908 2.743 4.823 1.00 0.00 H new ATOM 0 HA GLN A 17 -1.460 2.953 6.169 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -4.356 2.838 7.027 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -3.081 2.863 8.229 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -2.170 4.945 7.329 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -3.239 4.875 5.942 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -5.087 6.047 6.037 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -5.811 6.664 7.526 1.00 0.00 H new ATOM 286 N LYS A 18 -2.922 -0.012 6.680 1.00 0.00 N ATOM 287 CA LYS A 18 -2.542 -1.346 7.142 1.00 0.00 C ATOM 288 C LYS A 18 -1.468 -1.912 6.218 1.00 0.00 C ATOM 289 O LYS A 18 -0.498 -2.475 6.715 1.00 0.00 O ATOM 290 CB LYS A 18 -3.766 -2.262 7.253 1.00 0.00 C ATOM 291 CG LYS A 18 -4.611 -2.322 5.974 1.00 0.00 C ATOM 292 CD LYS A 18 -6.066 -2.694 6.208 1.00 0.00 C ATOM 293 CE LYS A 18 -6.254 -4.173 6.559 1.00 0.00 C ATOM 294 NZ LYS A 18 -6.163 -4.473 8.002 1.00 0.00 N ATOM 0 H LYS A 18 -3.875 0.074 6.328 1.00 0.00 H new ATOM 0 HA LYS A 18 -2.123 -1.280 8.146 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -3.433 -3.269 7.505 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -4.393 -1.918 8.076 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -4.570 -1.352 5.479 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -4.167 -3.047 5.292 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -6.467 -2.081 7.015 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -6.644 -2.462 5.313 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -7.227 -4.500 6.193 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -5.501 -4.758 6.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -6.385 -5.476 8.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -5.199 -4.273 8.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -6.841 -3.881 8.523 1.00 0.00 H new ATOM 308 N LYS A 19 -1.563 -1.684 4.904 1.00 0.00 N ATOM 309 CA LYS A 19 -0.578 -2.174 3.947 1.00 0.00 C ATOM 310 C LYS A 19 0.820 -1.670 4.291 1.00 0.00 C ATOM 311 O LYS A 19 1.764 -2.430 4.079 1.00 0.00 O ATOM 312 CB LYS A 19 -0.985 -1.878 2.494 1.00 0.00 C ATOM 313 CG LYS A 19 -1.914 -2.977 1.942 1.00 0.00 C ATOM 314 CD LYS A 19 -2.453 -2.636 0.542 1.00 0.00 C ATOM 315 CE LYS A 19 -3.031 -3.847 -0.211 1.00 0.00 C ATOM 316 NZ LYS A 19 -4.067 -4.620 0.509 1.00 0.00 N ATOM 0 H LYS A 19 -2.325 -1.155 4.479 1.00 0.00 H new ATOM 0 HA LYS A 19 -0.548 -3.261 4.027 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -1.489 -0.913 2.444 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -0.093 -1.805 1.871 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -1.371 -3.921 1.900 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -2.750 -3.120 2.626 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -3.227 -1.875 0.636 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -1.649 -2.201 -0.051 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -3.455 -3.497 -1.152 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -2.211 -4.520 -0.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -3.718 -5.583 0.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -4.282 -4.154 1.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -4.930 -4.668 -0.070 1.00 0.00 H new ATOM 330 N ILE A 20 1.008 -0.468 4.863 1.00 0.00 N ATOM 331 CA ILE A 20 2.362 -0.031 5.204 1.00 0.00 C ATOM 332 C ILE A 20 2.921 -0.961 6.288 1.00 0.00 C ATOM 333 O ILE A 20 4.109 -1.266 6.263 1.00 0.00 O ATOM 334 CB ILE A 20 2.488 1.449 5.628 1.00 0.00 C ATOM 335 CG1 ILE A 20 1.612 2.444 4.852 1.00 0.00 C ATOM 336 CG2 ILE A 20 3.959 1.885 5.496 1.00 0.00 C ATOM 337 CD1 ILE A 20 1.797 2.408 3.334 1.00 0.00 C ATOM 0 H ILE A 20 0.266 0.194 5.090 1.00 0.00 H new ATOM 0 HA ILE A 20 2.949 -0.096 4.288 1.00 0.00 H new ATOM 0 HB ILE A 20 2.128 1.481 6.656 1.00 0.00 H new ATOM 0 HG12 ILE A 20 0.566 2.243 5.082 1.00 0.00 H new ATOM 0 HG13 ILE A 20 1.828 3.452 5.207 1.00 0.00 H new ATOM 0 HG21 ILE A 20 4.057 2.929 5.793 1.00 0.00 H new ATOM 0 HG22 ILE A 20 4.582 1.264 6.140 1.00 0.00 H new ATOM 0 HG23 ILE A 20 4.281 1.771 4.461 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.139 3.143 2.870 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.833 2.642 3.088 1.00 0.00 H new ATOM 0 HD13 ILE A 20 1.551 1.414 2.961 1.00 0.00 H new ATOM 349 N LYS A 21 2.090 -1.414 7.235 1.00 0.00 N ATOM 350 CA LYS A 21 2.509 -2.330 8.296 1.00 0.00 C ATOM 351 C LYS A 21 2.736 -3.721 7.709 1.00 0.00 C ATOM 352 O LYS A 21 3.598 -4.450 8.180 1.00 0.00 O ATOM 353 CB LYS A 21 1.435 -2.495 9.376 1.00 0.00 C ATOM 354 CG LYS A 21 0.918 -1.174 9.948 1.00 0.00 C ATOM 355 CD LYS A 21 0.161 -1.393 11.268 1.00 0.00 C ATOM 356 CE LYS A 21 -1.357 -1.394 11.080 1.00 0.00 C ATOM 357 NZ LYS A 21 -1.925 -0.047 11.268 1.00 0.00 N ATOM 0 H LYS A 21 1.105 -1.153 7.284 1.00 0.00 H new ATOM 0 HA LYS A 21 3.414 -1.907 8.733 1.00 0.00 H new ATOM 0 HB2 LYS A 21 0.596 -3.051 8.957 1.00 0.00 H new ATOM 0 HB3 LYS A 21 1.842 -3.096 10.189 1.00 0.00 H new ATOM 0 HG2 LYS A 21 1.755 -0.496 10.115 1.00 0.00 H new ATOM 0 HG3 LYS A 21 0.259 -0.695 9.224 1.00 0.00 H new ATOM 0 HD2 LYS A 21 0.470 -2.342 11.707 1.00 0.00 H new ATOM 0 HD3 LYS A 21 0.436 -0.610 11.975 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -1.601 -1.757 10.081 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -1.812 -2.084 11.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -2.956 -0.083 11.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -1.713 0.288 12.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -1.508 0.606 10.574 1.00 0.00 H new ATOM 371 N GLU A 22 2.002 -4.091 6.662 1.00 0.00 N ATOM 372 CA GLU A 22 2.133 -5.402 6.047 1.00 0.00 C ATOM 373 C GLU A 22 3.477 -5.509 5.354 1.00 0.00 C ATOM 374 O GLU A 22 4.228 -6.437 5.641 1.00 0.00 O ATOM 375 CB GLU A 22 1.012 -5.647 5.023 1.00 0.00 C ATOM 376 CG GLU A 22 -0.339 -5.778 5.721 1.00 0.00 C ATOM 377 CD GLU A 22 -1.533 -5.785 4.751 1.00 0.00 C ATOM 378 OE1 GLU A 22 -2.493 -5.018 5.015 1.00 0.00 O ATOM 379 OE2 GLU A 22 -1.521 -6.543 3.755 1.00 0.00 O ATOM 0 H GLU A 22 1.305 -3.492 6.221 1.00 0.00 H new ATOM 0 HA GLU A 22 2.057 -6.155 6.832 1.00 0.00 H new ATOM 0 HB2 GLU A 22 0.979 -4.824 4.309 1.00 0.00 H new ATOM 0 HB3 GLU A 22 1.223 -6.554 4.456 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -0.350 -6.699 6.304 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -0.457 -4.954 6.424 1.00 0.00 H new ATOM 386 N ARG A 23 3.834 -4.534 4.518 1.00 0.00 N ATOM 387 CA ARG A 23 5.107 -4.561 3.805 1.00 0.00 C ATOM 388 C ARG A 23 6.291 -4.488 4.757 1.00 0.00 C ATOM 389 O ARG A 23 7.298 -5.127 4.482 1.00 0.00 O ATOM 390 CB ARG A 23 5.153 -3.476 2.717 1.00 0.00 C ATOM 391 CG ARG A 23 4.862 -2.051 3.206 1.00 0.00 C ATOM 392 CD ARG A 23 6.102 -1.225 3.585 1.00 0.00 C ATOM 393 NE ARG A 23 7.061 -1.147 2.465 1.00 0.00 N ATOM 394 CZ ARG A 23 6.753 -0.675 1.252 1.00 0.00 C ATOM 395 NH1 ARG A 23 5.689 0.093 1.098 1.00 0.00 N ATOM 396 NH2 ARG A 23 7.473 -0.985 0.192 1.00 0.00 N ATOM 0 H ARG A 23 3.258 -3.716 4.319 1.00 0.00 H new ATOM 0 HA ARG A 23 5.187 -5.523 3.298 1.00 0.00 H new ATOM 0 HB2 ARG A 23 6.139 -3.490 2.253 1.00 0.00 H new ATOM 0 HB3 ARG A 23 4.432 -3.731 1.940 1.00 0.00 H new ATOM 0 HG2 ARG A 23 4.316 -1.520 2.426 1.00 0.00 H new ATOM 0 HG3 ARG A 23 4.204 -2.108 4.073 1.00 0.00 H new ATOM 0 HD2 ARG A 23 5.797 -0.220 3.875 1.00 0.00 H new ATOM 0 HD3 ARG A 23 6.588 -1.673 4.452 1.00 0.00 H new ATOM 0 HE ARG A 23 8.014 -1.472 2.626 1.00 0.00 H new ATOM 0 HH11 ARG A 23 5.106 0.324 1.902 1.00 0.00 H new ATOM 0 HH12 ARG A 23 5.451 0.455 0.175 1.00 0.00 H new ATOM 0 HH21 ARG A 23 8.284 -1.597 0.287 1.00 0.00 H new ATOM 0 HH22 ARG A 23 7.219 -0.613 -0.723 1.00 0.00 H new ATOM 410 N ILE A 24 6.220 -3.732 5.854 1.00 0.00 N ATOM 411 CA ILE A 24 7.338 -3.642 6.793 1.00 0.00 C ATOM 412 C ILE A 24 7.420 -4.914 7.640 1.00 0.00 C ATOM 413 O ILE A 24 8.514 -5.452 7.807 1.00 0.00 O ATOM 414 CB ILE A 24 7.238 -2.359 7.660 1.00 0.00 C ATOM 415 CG1 ILE A 24 8.440 -2.176 8.611 1.00 0.00 C ATOM 416 CG2 ILE A 24 5.942 -2.325 8.470 1.00 0.00 C ATOM 417 CD1 ILE A 24 8.228 -1.057 9.638 1.00 0.00 C ATOM 0 H ILE A 24 5.405 -3.176 6.113 1.00 0.00 H new ATOM 0 HA ILE A 24 8.267 -3.563 6.229 1.00 0.00 H new ATOM 0 HB ILE A 24 7.244 -1.531 6.951 1.00 0.00 H new ATOM 0 HG12 ILE A 24 8.626 -3.113 9.136 1.00 0.00 H new ATOM 0 HG13 ILE A 24 9.331 -1.957 8.023 1.00 0.00 H new ATOM 0 HG21 ILE A 24 5.908 -1.412 9.064 1.00 0.00 H new ATOM 0 HG22 ILE A 24 5.089 -2.349 7.792 1.00 0.00 H new ATOM 0 HG23 ILE A 24 5.904 -3.190 9.132 1.00 0.00 H new ATOM 0 HD11 ILE A 24 9.108 -0.978 10.277 1.00 0.00 H new ATOM 0 HD12 ILE A 24 8.071 -0.112 9.119 1.00 0.00 H new ATOM 0 HD13 ILE A 24 7.355 -1.285 10.249 1.00 0.00 H new ATOM 429 N GLN A 25 6.292 -5.416 8.150 1.00 0.00 N ATOM 430 CA GLN A 25 6.284 -6.588 9.003 1.00 0.00 C ATOM 431 C GLN A 25 6.569 -7.872 8.232 1.00 0.00 C ATOM 432 O GLN A 25 7.420 -8.641 8.663 1.00 0.00 O ATOM 433 CB GLN A 25 4.954 -6.635 9.766 1.00 0.00 C ATOM 434 CG GLN A 25 5.006 -7.606 10.943 1.00 0.00 C ATOM 435 CD GLN A 25 3.850 -7.327 11.894 1.00 0.00 C ATOM 436 OE1 GLN A 25 2.679 -7.442 11.537 1.00 0.00 O ATOM 437 NE2 GLN A 25 4.118 -6.858 13.100 1.00 0.00 N ATOM 0 H GLN A 25 5.368 -5.018 7.979 1.00 0.00 H new ATOM 0 HA GLN A 25 7.098 -6.510 9.723 1.00 0.00 H new ATOM 0 HB2 GLN A 25 4.709 -5.637 10.129 1.00 0.00 H new ATOM 0 HB3 GLN A 25 4.156 -6.932 9.086 1.00 0.00 H new ATOM 0 HG2 GLN A 25 4.952 -8.633 10.582 1.00 0.00 H new ATOM 0 HG3 GLN A 25 5.955 -7.503 11.469 1.00 0.00 H new ATOM 0 HE21 GLN A 25 5.086 -6.759 13.405 1.00 0.00 H new ATOM 0 HE22 GLN A 25 3.357 -6.595 13.726 1.00 0.00 H new ATOM 446 N ASN A 26 5.916 -8.098 7.090 1.00 0.00 N ATOM 447 CA ASN A 26 6.149 -9.309 6.303 1.00 0.00 C ATOM 448 C ASN A 26 7.471 -9.167 5.549 1.00 0.00 C ATOM 449 O ASN A 26 8.339 -10.033 5.617 1.00 0.00 O ATOM 450 CB ASN A 26 5.001 -9.538 5.296 1.00 0.00 C ATOM 451 CG ASN A 26 3.664 -9.866 5.949 1.00 0.00 C ATOM 452 OD1 ASN A 26 3.216 -11.005 5.952 1.00 0.00 O ATOM 453 ND2 ASN A 26 2.957 -8.867 6.450 1.00 0.00 N ATOM 0 H ASN A 26 5.225 -7.462 6.692 1.00 0.00 H new ATOM 0 HA ASN A 26 6.191 -10.165 6.976 1.00 0.00 H new ATOM 0 HB2 ASN A 26 4.885 -8.645 4.683 1.00 0.00 H new ATOM 0 HB3 ASN A 26 5.276 -10.352 4.625 1.00 0.00 H new ATOM 0 HD21 ASN A 26 2.032 -9.043 6.842 1.00 0.00 H new ATOM 0 HD22 ASN A 26 3.337 -7.920 6.444 1.00 0.00 H new ATOM 460 N SER A 27 7.643 -8.051 4.830 1.00 0.00 N ATOM 461 CA SER A 27 8.827 -7.718 4.027 1.00 0.00 C ATOM 462 C SER A 27 9.200 -8.789 2.986 1.00 0.00 C ATOM 463 O SER A 27 10.303 -8.745 2.439 1.00 0.00 O ATOM 464 CB SER A 27 9.976 -7.317 4.971 1.00 0.00 C ATOM 465 OG SER A 27 10.979 -6.567 4.303 1.00 0.00 O ATOM 0 H SER A 27 6.930 -7.323 4.790 1.00 0.00 H new ATOM 0 HA SER A 27 8.590 -6.859 3.400 1.00 0.00 H new ATOM 0 HB2 SER A 27 9.577 -6.731 5.799 1.00 0.00 H new ATOM 0 HB3 SER A 27 10.421 -8.214 5.401 1.00 0.00 H new ATOM 0 HG SER A 27 11.153 -6.963 3.424 1.00 0.00 H new ATOM 834 N ILE A3289 6.500 6.338 7.253 1.00 0.00 N ATOM 835 CA ILE A3289 7.870 6.805 7.123 1.00 0.00 C ATOM 836 C ILE A3289 7.867 7.484 5.765 1.00 0.00 C ATOM 837 O ILE A3289 7.793 6.814 4.745 1.00 0.00 O ATOM 838 CB ILE A3289 8.881 5.650 7.282 1.00 0.00 C ATOM 839 CG1 ILE A3289 8.657 4.928 8.636 1.00 0.00 C ATOM 840 CG2 ILE A3289 10.290 6.255 7.209 1.00 0.00 C ATOM 841 CD1 ILE A3289 9.506 3.672 8.851 1.00 0.00 C ATOM 0 HA ILE A3289 8.191 7.496 7.902 1.00 0.00 H new ATOM 0 HB ILE A3289 8.752 4.910 6.492 1.00 0.00 H new ATOM 0 HG12 ILE A3289 8.865 5.630 9.443 1.00 0.00 H new ATOM 0 HG13 ILE A3289 7.605 4.654 8.714 1.00 0.00 H new ATOM 0 HG21 ILE A3289 11.032 5.464 7.318 1.00 0.00 H new ATOM 0 HG22 ILE A3289 10.425 6.748 6.246 1.00 0.00 H new ATOM 0 HG23 ILE A3289 10.415 6.983 8.011 1.00 0.00 H new ATOM 0 HD11 ILE A3289 9.277 3.240 9.825 1.00 0.00 H new ATOM 0 HD12 ILE A3289 9.284 2.945 8.070 1.00 0.00 H new ATOM 0 HD13 ILE A3289 10.563 3.936 8.811 1.00 0.00 H new ATOM 853 N GLU A3290 7.866 8.806 5.726 1.00 0.00 N ATOM 854 CA GLU A3290 7.826 9.581 4.495 1.00 0.00 C ATOM 855 C GLU A3290 9.125 9.478 3.686 1.00 0.00 C ATOM 856 O GLU A3290 9.083 9.700 2.483 1.00 0.00 O ATOM 857 CB GLU A3290 7.401 11.006 4.862 1.00 0.00 C ATOM 858 CG GLU A3290 7.466 12.037 3.724 1.00 0.00 C ATOM 859 CD GLU A3290 7.020 13.419 4.204 1.00 0.00 C ATOM 860 OE1 GLU A3290 6.225 14.076 3.493 1.00 0.00 O ATOM 861 OE2 GLU A3290 7.464 13.830 5.309 1.00 0.00 O ATOM 0 H GLU A3290 7.894 9.383 6.566 1.00 0.00 H new ATOM 0 HA GLU A3290 7.088 9.172 3.805 1.00 0.00 H new ATOM 0 HB2 GLU A3290 6.379 10.974 5.240 1.00 0.00 H new ATOM 0 HB3 GLU A3290 8.033 11.354 5.679 1.00 0.00 H new ATOM 0 HG2 GLU A3290 8.484 12.094 3.339 1.00 0.00 H new ATOM 0 HG3 GLU A3290 6.831 11.713 2.899 1.00 0.00 H new ATOM 868 N THR A3291 10.240 9.000 4.246 1.00 0.00 N ATOM 869 CA THR A3291 11.504 8.888 3.507 1.00 0.00 C ATOM 870 C THR A3291 12.149 7.520 3.725 1.00 0.00 C ATOM 871 O THR A3291 13.151 7.358 4.428 1.00 0.00 O ATOM 872 CB THR A3291 12.368 10.129 3.779 1.00 0.00 C ATOM 873 OG1 THR A3291 13.628 10.092 3.133 1.00 0.00 O ATOM 874 CG2 THR A3291 12.587 10.449 5.256 1.00 0.00 C ATOM 0 H THR A3291 10.294 8.682 5.214 1.00 0.00 H new ATOM 0 HA THR A3291 11.342 8.903 2.429 1.00 0.00 H new ATOM 0 HB THR A3291 11.765 10.929 3.351 1.00 0.00 H new ATOM 0 HG1 THR A3291 14.128 10.908 3.344 1.00 0.00 H new ATOM 0 HG21 THR A3291 13.208 11.340 5.347 1.00 0.00 H new ATOM 0 HG22 THR A3291 11.625 10.626 5.736 1.00 0.00 H new ATOM 0 HG23 THR A3291 13.085 9.609 5.740 1.00 0.00 H new ATOM 882 N PHE A3292 11.549 6.506 3.103 1.00 0.00 N ATOM 883 CA PHE A3292 12.001 5.135 3.177 1.00 0.00 C ATOM 884 C PHE A3292 11.464 4.368 1.974 1.00 0.00 C ATOM 885 O PHE A3292 12.234 4.067 1.061 1.00 0.00 O ATOM 886 CB PHE A3292 11.538 4.558 4.517 1.00 0.00 C ATOM 887 CG PHE A3292 11.840 3.092 4.790 1.00 0.00 C ATOM 888 CD1 PHE A3292 12.937 2.428 4.204 1.00 0.00 C ATOM 889 CD2 PHE A3292 11.030 2.395 5.701 1.00 0.00 C ATOM 890 CE1 PHE A3292 13.214 1.089 4.533 1.00 0.00 C ATOM 891 CE2 PHE A3292 11.309 1.060 6.037 1.00 0.00 C ATOM 892 CZ PHE A3292 12.404 0.403 5.451 1.00 0.00 C ATOM 0 H PHE A3292 10.718 6.627 2.524 1.00 0.00 H new ATOM 0 HA PHE A3292 13.088 5.058 3.138 1.00 0.00 H new ATOM 0 HB2 PHE A3292 11.991 5.149 5.313 1.00 0.00 H new ATOM 0 HB3 PHE A3292 10.460 4.699 4.590 1.00 0.00 H new ATOM 0 HD1 PHE A3292 13.567 2.950 3.499 1.00 0.00 H new ATOM 0 HD2 PHE A3292 10.182 2.892 6.149 1.00 0.00 H new ATOM 0 HE1 PHE A3292 14.054 0.586 4.077 1.00 0.00 H new ATOM 0 HE2 PHE A3292 10.682 0.539 6.745 1.00 0.00 H new ATOM 0 HZ PHE A3292 12.621 -0.624 5.706 1.00 0.00 H new ATOM 902 N PHE A3293 10.152 4.136 1.936 1.00 0.00 N ATOM 903 CA PHE A3293 9.405 3.408 0.909 1.00 0.00 C ATOM 904 C PHE A3293 8.508 4.292 0.042 1.00 0.00 C ATOM 905 O PHE A3293 7.690 3.765 -0.703 1.00 0.00 O ATOM 906 CB PHE A3293 8.590 2.288 1.596 1.00 0.00 C ATOM 907 CG PHE A3293 8.041 2.583 2.984 1.00 0.00 C ATOM 908 CD1 PHE A3293 8.242 1.671 4.038 1.00 0.00 C ATOM 909 CD2 PHE A3293 7.314 3.764 3.225 1.00 0.00 C ATOM 910 CE1 PHE A3293 7.717 1.937 5.315 1.00 0.00 C ATOM 911 CE2 PHE A3293 6.798 4.031 4.501 1.00 0.00 C ATOM 912 CZ PHE A3293 6.995 3.118 5.550 1.00 0.00 C ATOM 0 H PHE A3293 9.538 4.477 2.676 1.00 0.00 H new ATOM 0 HA PHE A3293 10.130 2.986 0.213 1.00 0.00 H new ATOM 0 HB2 PHE A3293 7.752 2.033 0.948 1.00 0.00 H new ATOM 0 HB3 PHE A3293 9.222 1.402 1.663 1.00 0.00 H new ATOM 0 HD1 PHE A3293 8.802 0.764 3.865 1.00 0.00 H new ATOM 0 HD2 PHE A3293 7.153 4.468 2.422 1.00 0.00 H new ATOM 0 HE1 PHE A3293 7.870 1.231 6.118 1.00 0.00 H new ATOM 0 HE2 PHE A3293 6.247 4.943 4.678 1.00 0.00 H new ATOM 0 HZ PHE A3293 6.594 3.323 6.531 1.00 0.00 H new ATOM 922 N ALA A3294 8.661 5.613 0.082 1.00 0.00 N ATOM 923 CA ALA A3294 7.870 6.591 -0.650 1.00 0.00 C ATOM 924 C ALA A3294 7.756 6.305 -2.132 1.00 0.00 C ATOM 925 O ALA A3294 6.718 6.616 -2.710 1.00 0.00 O ATOM 926 CB ALA A3294 8.460 7.994 -0.482 1.00 0.00 C ATOM 0 H ALA A3294 9.380 6.051 0.658 1.00 0.00 H new ATOM 0 HA ALA A3294 6.870 6.526 -0.221 1.00 0.00 H new ATOM 0 HB1 ALA A3294 7.855 8.712 -1.036 1.00 0.00 H new ATOM 0 HB2 ALA A3294 8.465 8.263 0.574 1.00 0.00 H new ATOM 0 HB3 ALA A3294 9.481 8.008 -0.864 1.00 0.00 H new ATOM 932 N GLN A3295 8.805 5.745 -2.733 1.00 0.00 N ATOM 933 CA GLN A3295 8.754 5.468 -4.172 1.00 0.00 C ATOM 934 C GLN A3295 7.895 4.242 -4.450 1.00 0.00 C ATOM 935 O GLN A3295 7.346 4.081 -5.533 1.00 0.00 O ATOM 936 CB GLN A3295 10.156 5.314 -4.759 1.00 0.00 C ATOM 937 CG GLN A3295 11.080 6.496 -4.445 1.00 0.00 C ATOM 938 CD GLN A3295 10.432 7.880 -4.566 1.00 0.00 C ATOM 939 OE1 GLN A3295 9.945 8.277 -5.623 1.00 0.00 O ATOM 940 NE2 GLN A3295 10.389 8.633 -3.476 1.00 0.00 N ATOM 0 H GLN A3295 9.673 5.481 -2.268 1.00 0.00 H new ATOM 0 HA GLN A3295 8.291 6.322 -4.666 1.00 0.00 H new ATOM 0 HB2 GLN A3295 10.605 4.399 -4.373 1.00 0.00 H new ATOM 0 HB3 GLN A3295 10.079 5.200 -5.840 1.00 0.00 H new ATOM 0 HG2 GLN A3295 11.462 6.379 -3.431 1.00 0.00 H new ATOM 0 HG3 GLN A3295 11.938 6.454 -5.116 1.00 0.00 H new ATOM 0 HE21 GLN A3295 10.796 8.293 -2.605 1.00 0.00 H new ATOM 0 HE22 GLN A3295 9.949 9.552 -3.508 1.00 0.00 H new ATOM 949 N ASP A3296 7.876 3.302 -3.518 1.00 0.00 N ATOM 950 CA ASP A3296 7.064 2.092 -3.605 1.00 0.00 C ATOM 951 C ASP A3296 5.609 2.351 -3.177 1.00 0.00 C ATOM 952 O ASP A3296 4.677 1.735 -3.703 1.00 0.00 O ATOM 953 CB ASP A3296 7.730 0.984 -2.786 1.00 0.00 C ATOM 954 CG ASP A3296 7.363 -0.388 -3.337 1.00 0.00 C ATOM 955 OD1 ASP A3296 6.723 -1.172 -2.600 1.00 0.00 O ATOM 956 OD2 ASP A3296 7.792 -0.701 -4.472 1.00 0.00 O ATOM 0 H ASP A3296 8.432 3.357 -2.665 1.00 0.00 H new ATOM 0 HA ASP A3296 7.010 1.767 -4.644 1.00 0.00 H new ATOM 0 HB2 ASP A3296 8.812 1.111 -2.805 1.00 0.00 H new ATOM 0 HB3 ASP A3296 7.419 1.058 -1.744 1.00 0.00 H new ATOM 961 N ILE A3297 5.405 3.265 -2.218 1.00 0.00 N ATOM 962 CA ILE A3297 4.133 3.684 -1.622 1.00 0.00 C ATOM 963 C ILE A3297 3.156 4.111 -2.712 1.00 0.00 C ATOM 964 O ILE A3297 1.996 3.696 -2.691 1.00 0.00 O ATOM 965 CB ILE A3297 4.404 4.789 -0.547 1.00 0.00 C ATOM 966 CG1 ILE A3297 4.247 4.340 0.926 1.00 0.00 C ATOM 967 CG2 ILE A3297 3.563 6.065 -0.719 1.00 0.00 C ATOM 968 CD1 ILE A3297 4.779 2.947 1.217 1.00 0.00 C ATOM 0 H ILE A3297 6.190 3.770 -1.807 1.00 0.00 H new ATOM 0 HA ILE A3297 3.657 2.851 -1.105 1.00 0.00 H new ATOM 0 HB ILE A3297 5.455 5.002 -0.743 1.00 0.00 H new ATOM 0 HG12 ILE A3297 4.763 5.054 1.568 1.00 0.00 H new ATOM 0 HG13 ILE A3297 3.191 4.376 1.194 1.00 0.00 H new ATOM 0 HG21 ILE A3297 3.815 6.776 0.068 1.00 0.00 H new ATOM 0 HG22 ILE A3297 3.773 6.511 -1.691 1.00 0.00 H new ATOM 0 HG23 ILE A3297 2.504 5.814 -0.656 1.00 0.00 H new ATOM 0 HD11 ILE A3297 4.629 2.713 2.271 1.00 0.00 H new ATOM 0 HD12 ILE A3297 4.247 2.219 0.604 1.00 0.00 H new ATOM 0 HD13 ILE A3297 5.843 2.908 0.985 1.00 0.00 H new ATOM 980 N GLU A3298 3.636 4.909 -3.661 1.00 0.00 N ATOM 981 CA GLU A3298 2.872 5.437 -4.778 1.00 0.00 C ATOM 982 C GLU A3298 2.390 4.300 -5.675 1.00 0.00 C ATOM 983 O GLU A3298 1.333 4.400 -6.285 1.00 0.00 O ATOM 984 CB GLU A3298 3.714 6.445 -5.577 1.00 0.00 C ATOM 985 CG GLU A3298 5.129 5.938 -5.849 1.00 0.00 C ATOM 986 CD GLU A3298 5.778 6.532 -7.088 1.00 0.00 C ATOM 987 OE1 GLU A3298 6.535 7.516 -6.988 1.00 0.00 O ATOM 988 OE2 GLU A3298 5.567 5.933 -8.171 1.00 0.00 O ATOM 0 H GLU A3298 4.609 5.216 -3.670 1.00 0.00 H new ATOM 0 HA GLU A3298 1.998 5.959 -4.388 1.00 0.00 H new ATOM 0 HB2 GLU A3298 3.219 6.657 -6.525 1.00 0.00 H new ATOM 0 HB3 GLU A3298 3.767 7.385 -5.028 1.00 0.00 H new ATOM 0 HG2 GLU A3298 5.754 6.159 -4.984 1.00 0.00 H new ATOM 0 HG3 GLU A3298 5.100 4.853 -5.953 1.00 0.00 H new ATOM 995 N SER A3299 3.142 3.207 -5.771 1.00 0.00 N ATOM 996 CA SER A3299 2.756 2.086 -6.616 1.00 0.00 C ATOM 997 C SER A3299 1.652 1.272 -5.951 1.00 0.00 C ATOM 998 O SER A3299 0.623 0.975 -6.557 1.00 0.00 O ATOM 999 CB SER A3299 3.964 1.221 -6.987 1.00 0.00 C ATOM 1000 OG SER A3299 3.606 0.344 -8.039 1.00 0.00 O ATOM 0 H SER A3299 4.022 3.076 -5.273 1.00 0.00 H new ATOM 0 HA SER A3299 2.358 2.483 -7.550 1.00 0.00 H new ATOM 0 HB2 SER A3299 4.798 1.853 -7.293 1.00 0.00 H new ATOM 0 HB3 SER A3299 4.297 0.651 -6.120 1.00 0.00 H new ATOM 0 HG SER A3299 4.378 -0.210 -8.280 1.00 0.00 H new ATOM 1006 N VAL A3300 1.837 0.935 -4.677 1.00 0.00 N ATOM 1007 CA VAL A3300 0.846 0.134 -3.968 1.00 0.00 C ATOM 1008 C VAL A3300 -0.438 0.943 -3.733 1.00 0.00 C ATOM 1009 O VAL A3300 -1.540 0.394 -3.751 1.00 0.00 O ATOM 1010 CB VAL A3300 1.491 -0.487 -2.718 1.00 0.00 C ATOM 1011 CG1 VAL A3300 1.756 0.558 -1.634 1.00 0.00 C ATOM 1012 CG2 VAL A3300 0.645 -1.637 -2.177 1.00 0.00 C ATOM 0 H VAL A3300 2.651 1.200 -4.122 1.00 0.00 H new ATOM 0 HA VAL A3300 0.515 -0.711 -4.571 1.00 0.00 H new ATOM 0 HB VAL A3300 2.457 -0.891 -3.020 1.00 0.00 H new ATOM 0 HG11 VAL A3300 2.212 0.077 -0.769 1.00 0.00 H new ATOM 0 HG12 VAL A3300 2.430 1.322 -2.022 1.00 0.00 H new ATOM 0 HG13 VAL A3300 0.815 1.021 -1.338 1.00 0.00 H new ATOM 0 HG21 VAL A3300 1.125 -2.057 -1.293 1.00 0.00 H new ATOM 0 HG22 VAL A3300 -0.345 -1.267 -1.911 1.00 0.00 H new ATOM 0 HG23 VAL A3300 0.550 -2.409 -2.940 1.00 0.00 H new ATOM 1022 N GLN A3301 -0.347 2.255 -3.496 1.00 0.00 N ATOM 1023 CA GLN A3301 -1.535 3.089 -3.294 1.00 0.00 C ATOM 1024 C GLN A3301 -2.276 3.253 -4.615 1.00 0.00 C ATOM 1025 O GLN A3301 -3.497 3.421 -4.590 1.00 0.00 O ATOM 1026 CB GLN A3301 -1.220 4.429 -2.625 1.00 0.00 C ATOM 1027 CG GLN A3301 -0.460 5.434 -3.492 1.00 0.00 C ATOM 1028 CD GLN A3301 -1.284 6.540 -4.164 1.00 0.00 C ATOM 1029 OE1 GLN A3301 -0.803 7.659 -4.308 1.00 0.00 O ATOM 1030 NE2 GLN A3301 -2.506 6.277 -4.598 1.00 0.00 N ATOM 0 H GLN A3301 0.536 2.762 -3.439 1.00 0.00 H new ATOM 0 HA GLN A3301 -2.191 2.576 -2.591 1.00 0.00 H new ATOM 0 HB2 GLN A3301 -2.157 4.886 -2.306 1.00 0.00 H new ATOM 0 HB3 GLN A3301 -0.636 4.238 -1.725 1.00 0.00 H new ATOM 0 HG2 GLN A3301 0.301 5.908 -2.872 1.00 0.00 H new ATOM 0 HG3 GLN A3301 0.063 4.881 -4.272 1.00 0.00 H new ATOM 0 HE21 GLN A3301 -2.901 5.345 -4.476 1.00 0.00 H new ATOM 0 HE22 GLN A3301 -3.053 7.007 -5.055 1.00 0.00 H new ATOM 1039 N LYS A3302 -1.561 3.246 -5.748 1.00 0.00 N ATOM 1040 CA LYS A3302 -2.150 3.373 -7.074 1.00 0.00 C ATOM 1041 C LYS A3302 -3.097 2.217 -7.344 1.00 0.00 C ATOM 1042 O LYS A3302 -4.034 2.384 -8.126 1.00 0.00 O ATOM 1043 CB LYS A3302 -1.074 3.435 -8.159 1.00 0.00 C ATOM 1044 CG LYS A3302 -0.739 4.892 -8.505 1.00 0.00 C ATOM 1045 CD LYS A3302 0.455 4.944 -9.449 1.00 0.00 C ATOM 1046 CE LYS A3302 0.095 4.413 -10.838 1.00 0.00 C ATOM 1047 NZ LYS A3302 1.303 4.160 -11.638 1.00 0.00 N ATOM 0 H LYS A3302 -0.546 3.150 -5.762 1.00 0.00 H new ATOM 0 HA LYS A3302 -2.710 4.308 -7.101 1.00 0.00 H new ATOM 0 HB2 LYS A3302 -0.176 2.921 -7.818 1.00 0.00 H new ATOM 0 HB3 LYS A3302 -1.420 2.914 -9.052 1.00 0.00 H new ATOM 0 HG2 LYS A3302 -1.601 5.371 -8.969 1.00 0.00 H new ATOM 0 HG3 LYS A3302 -0.517 5.449 -7.594 1.00 0.00 H new ATOM 0 HD2 LYS A3302 0.810 5.971 -9.532 1.00 0.00 H new ATOM 0 HD3 LYS A3302 1.274 4.356 -9.034 1.00 0.00 H new ATOM 0 HE2 LYS A3302 -0.480 3.492 -10.741 1.00 0.00 H new ATOM 0 HE3 LYS A3302 -0.541 5.133 -11.352 1.00 0.00 H new ATOM 0 HZ1 LYS A3302 1.030 3.801 -12.575 1.00 0.00 H new ATOM 0 HZ2 LYS A3302 1.838 5.045 -11.749 1.00 0.00 H new ATOM 0 HZ3 LYS A3302 1.897 3.455 -11.157 1.00 0.00 H new ATOM 1061 N GLU A3303 -2.856 1.056 -6.730 1.00 0.00 N ATOM 1062 CA GLU A3303 -3.712 -0.109 -6.915 1.00 0.00 C ATOM 1063 C GLU A3303 -5.065 0.147 -6.230 1.00 0.00 C ATOM 1064 O GLU A3303 -6.128 -0.119 -6.789 1.00 0.00 O ATOM 1065 CB GLU A3303 -2.982 -1.396 -6.443 1.00 0.00 C ATOM 1066 CG GLU A3303 -3.430 -1.919 -5.066 1.00 0.00 C ATOM 1067 CD GLU A3303 -2.593 -3.045 -4.457 1.00 0.00 C ATOM 1068 OE1 GLU A3303 -1.401 -3.212 -4.801 1.00 0.00 O ATOM 1069 OE2 GLU A3303 -3.120 -3.726 -3.543 1.00 0.00 O ATOM 0 H GLU A3303 -2.070 0.902 -6.098 1.00 0.00 H new ATOM 0 HA GLU A3303 -3.926 -0.274 -7.971 1.00 0.00 H new ATOM 0 HB2 GLU A3303 -3.140 -2.180 -7.184 1.00 0.00 H new ATOM 0 HB3 GLU A3303 -1.910 -1.199 -6.411 1.00 0.00 H new ATOM 0 HG2 GLU A3303 -3.434 -1.082 -4.368 1.00 0.00 H new ATOM 0 HG3 GLU A3303 -4.459 -2.267 -5.152 1.00 0.00 H new ATOM 1076 N LEU A3304 -5.023 0.748 -5.039 1.00 0.00 N ATOM 1077 CA LEU A3304 -6.188 1.036 -4.222 1.00 0.00 C ATOM 1078 C LEU A3304 -7.064 2.188 -4.705 1.00 0.00 C ATOM 1079 O LEU A3304 -8.281 2.128 -4.569 1.00 0.00 O ATOM 1080 CB LEU A3304 -5.742 1.377 -2.812 1.00 0.00 C ATOM 1081 CG LEU A3304 -4.879 0.346 -2.078 1.00 0.00 C ATOM 1082 CD1 LEU A3304 -4.719 0.897 -0.670 1.00 0.00 C ATOM 1083 CD2 LEU A3304 -5.420 -1.073 -2.000 1.00 0.00 C ATOM 0 H LEU A3304 -4.149 1.054 -4.610 1.00 0.00 H new ATOM 0 HA LEU A3304 -6.793 0.131 -4.280 1.00 0.00 H new ATOM 0 HB2 LEU A3304 -5.187 2.314 -2.851 1.00 0.00 H new ATOM 0 HB3 LEU A3304 -6.633 1.559 -2.211 1.00 0.00 H new ATOM 0 HG LEU A3304 -3.955 0.230 -2.644 1.00 0.00 H new ATOM 0 HD11 LEU A3304 -4.110 0.213 -0.079 1.00 0.00 H new ATOM 0 HD12 LEU A3304 -4.232 1.871 -0.714 1.00 0.00 H new ATOM 0 HD13 LEU A3304 -5.700 1.003 -0.207 1.00 0.00 H new ATOM 0 HD21 LEU A3304 -4.715 -1.702 -1.456 1.00 0.00 H new ATOM 0 HD22 LEU A3304 -6.378 -1.069 -1.481 1.00 0.00 H new ATOM 0 HD23 LEU A3304 -5.555 -1.467 -3.007 1.00 0.00 H new ATOM 1095 N GLU A3305 -6.481 3.260 -5.234 1.00 0.00 N ATOM 1096 CA GLU A3305 -7.253 4.415 -5.704 1.00 0.00 C ATOM 1097 C GLU A3305 -8.202 4.072 -6.853 1.00 0.00 C ATOM 1098 O GLU A3305 -9.143 4.825 -7.113 1.00 0.00 O ATOM 1099 CB GLU A3305 -6.329 5.582 -6.057 1.00 0.00 C ATOM 1100 CG GLU A3305 -5.290 5.159 -7.089 1.00 0.00 C ATOM 1101 CD GLU A3305 -4.382 6.305 -7.516 1.00 0.00 C ATOM 1102 OE1 GLU A3305 -3.973 6.300 -8.699 1.00 0.00 O ATOM 1103 OE2 GLU A3305 -4.064 7.177 -6.677 1.00 0.00 O ATOM 0 H GLU A3305 -5.472 3.356 -5.350 1.00 0.00 H new ATOM 0 HA GLU A3305 -7.891 4.726 -4.877 1.00 0.00 H new ATOM 0 HB2 GLU A3305 -6.918 6.412 -6.447 1.00 0.00 H new ATOM 0 HB3 GLU A3305 -5.829 5.940 -5.157 1.00 0.00 H new ATOM 0 HG2 GLU A3305 -4.682 4.354 -6.677 1.00 0.00 H new ATOM 0 HG3 GLU A3305 -5.798 4.758 -7.966 1.00 0.00 H new ATOM 1110 N ASN A3306 -7.989 2.946 -7.532 1.00 0.00 N ATOM 1111 CA ASN A3306 -8.844 2.500 -8.624 1.00 0.00 C ATOM 1112 C ASN A3306 -9.666 1.280 -8.212 1.00 0.00 C ATOM 1113 O ASN A3306 -10.432 0.776 -9.036 1.00 0.00 O ATOM 1114 CB ASN A3306 -8.025 2.259 -9.898 1.00 0.00 C ATOM 1115 CG ASN A3306 -7.263 0.943 -9.915 1.00 0.00 C ATOM 1116 OD1 ASN A3306 -7.795 -0.109 -10.248 1.00 0.00 O ATOM 1117 ND2 ASN A3306 -5.981 0.964 -9.612 1.00 0.00 N ATOM 0 H ASN A3306 -7.212 2.315 -7.336 1.00 0.00 H new ATOM 0 HA ASN A3306 -9.556 3.293 -8.854 1.00 0.00 H new ATOM 0 HB2 ASN A3306 -8.695 2.288 -10.757 1.00 0.00 H new ATOM 0 HB3 ASN A3306 -7.315 3.077 -10.020 1.00 0.00 H new ATOM 0 HD21 ASN A3306 -5.433 0.105 -9.655 1.00 0.00 H new ATOM 0 HD22 ASN A3306 -5.537 1.839 -9.335 1.00 0.00 H new ATOM 1124 N LEU A3307 -9.491 0.797 -6.975 1.00 0.00 N ATOM 1125 CA LEU A3307 -10.193 -0.360 -6.451 1.00 0.00 C ATOM 1126 C LEU A3307 -11.563 0.079 -5.940 1.00 0.00 C ATOM 1127 O LEU A3307 -11.723 1.226 -5.517 1.00 0.00 O ATOM 1128 CB LEU A3307 -9.326 -0.928 -5.314 1.00 0.00 C ATOM 1129 CG LEU A3307 -8.936 -2.411 -5.292 1.00 0.00 C ATOM 1130 CD1 LEU A3307 -9.093 -3.135 -6.618 1.00 0.00 C ATOM 1131 CD2 LEU A3307 -7.514 -2.631 -4.778 1.00 0.00 C ATOM 0 H LEU A3307 -8.844 1.214 -6.306 1.00 0.00 H new ATOM 0 HA LEU A3307 -10.353 -1.124 -7.212 1.00 0.00 H new ATOM 0 HB2 LEU A3307 -8.400 -0.353 -5.299 1.00 0.00 H new ATOM 0 HB3 LEU A3307 -9.846 -0.719 -4.379 1.00 0.00 H new ATOM 0 HG LEU A3307 -9.656 -2.846 -4.599 1.00 0.00 H new ATOM 0 HD11 LEU A3307 -8.793 -4.176 -6.502 1.00 0.00 H new ATOM 0 HD12 LEU A3307 -10.135 -3.091 -6.936 1.00 0.00 H new ATOM 0 HD13 LEU A3307 -8.464 -2.658 -7.370 1.00 0.00 H new ATOM 0 HD21 LEU A3307 -7.287 -3.697 -4.782 1.00 0.00 H new ATOM 0 HD22 LEU A3307 -6.809 -2.107 -5.423 1.00 0.00 H new ATOM 0 HD23 LEU A3307 -7.431 -2.246 -3.762 1.00 0.00 H new ATOM 1143 N SER A3308 -12.526 -0.839 -5.958 1.00 0.00 N ATOM 1144 CA SER A3308 -13.898 -0.618 -5.517 1.00 0.00 C ATOM 1145 C SER A3308 -14.013 -0.796 -3.999 1.00 0.00 C ATOM 1146 O SER A3308 -13.095 -1.317 -3.370 1.00 0.00 O ATOM 1147 CB SER A3308 -14.788 -1.606 -6.277 1.00 0.00 C ATOM 1148 OG SER A3308 -14.583 -1.477 -7.679 1.00 0.00 O ATOM 0 H SER A3308 -12.366 -1.789 -6.292 1.00 0.00 H new ATOM 0 HA SER A3308 -14.216 0.402 -5.731 1.00 0.00 H new ATOM 0 HB2 SER A3308 -14.563 -2.625 -5.962 1.00 0.00 H new ATOM 0 HB3 SER A3308 -15.835 -1.422 -6.037 1.00 0.00 H new ATOM 0 HG SER A3308 -15.156 -2.115 -8.153 1.00 0.00 H new ATOM 1154 N GLU A3309 -15.129 -0.400 -3.373 1.00 0.00 N ATOM 1155 CA GLU A3309 -15.292 -0.554 -1.931 1.00 0.00 C ATOM 1156 C GLU A3309 -15.193 -2.017 -1.584 1.00 0.00 C ATOM 1157 O GLU A3309 -14.370 -2.371 -0.769 1.00 0.00 O ATOM 1158 CB GLU A3309 -16.690 -0.145 -1.450 1.00 0.00 C ATOM 1159 CG GLU A3309 -16.870 1.285 -0.978 1.00 0.00 C ATOM 1160 CD GLU A3309 -18.147 1.400 -0.147 1.00 0.00 C ATOM 1161 OE1 GLU A3309 -18.058 1.698 1.061 1.00 0.00 O ATOM 1162 OE2 GLU A3309 -19.247 1.137 -0.697 1.00 0.00 O ATOM 0 H GLU A3309 -15.926 0.027 -3.845 1.00 0.00 H new ATOM 0 HA GLU A3309 -14.527 0.070 -1.468 1.00 0.00 H new ATOM 0 HB2 GLU A3309 -17.393 -0.323 -2.264 1.00 0.00 H new ATOM 0 HB3 GLU A3309 -16.974 -0.809 -0.633 1.00 0.00 H new ATOM 0 HG2 GLU A3309 -16.010 1.592 -0.383 1.00 0.00 H new ATOM 0 HG3 GLU A3309 -16.921 1.957 -1.835 1.00 0.00 H new ATOM 1169 N GLU A3310 -15.901 -2.871 -2.303 1.00 0.00 N ATOM 1170 CA GLU A3310 -15.967 -4.300 -2.071 1.00 0.00 C ATOM 1171 C GLU A3310 -14.572 -4.909 -1.976 1.00 0.00 C ATOM 1172 O GLU A3310 -14.419 -6.006 -1.440 1.00 0.00 O ATOM 1173 CB GLU A3310 -16.800 -4.935 -3.199 1.00 0.00 C ATOM 1174 CG GLU A3310 -18.201 -4.304 -3.349 1.00 0.00 C ATOM 1175 CD GLU A3310 -18.941 -4.838 -4.574 1.00 0.00 C ATOM 1176 OE1 GLU A3310 -19.102 -6.069 -4.711 1.00 0.00 O ATOM 1177 OE2 GLU A3310 -19.318 -4.042 -5.468 1.00 0.00 O ATOM 0 H GLU A3310 -16.468 -2.573 -3.097 1.00 0.00 H new ATOM 0 HA GLU A3310 -16.450 -4.501 -1.114 1.00 0.00 H new ATOM 0 HB2 GLU A3310 -16.261 -4.835 -4.141 1.00 0.00 H new ATOM 0 HB3 GLU A3310 -16.908 -6.002 -3.006 1.00 0.00 H new ATOM 0 HG2 GLU A3310 -18.788 -4.508 -2.454 1.00 0.00 H new ATOM 0 HG3 GLU A3310 -18.104 -3.221 -3.427 1.00 0.00 H new ATOM 1184 N GLU A3311 -13.601 -4.318 -2.667 1.00 0.00 N ATOM 1185 CA GLU A3311 -12.227 -4.736 -2.641 1.00 0.00 C ATOM 1186 C GLU A3311 -11.493 -4.181 -1.403 1.00 0.00 C ATOM 1187 O GLU A3311 -10.840 -4.925 -0.678 1.00 0.00 O ATOM 1188 CB GLU A3311 -11.598 -4.231 -3.932 1.00 0.00 C ATOM 1189 CG GLU A3311 -12.214 -4.754 -5.241 1.00 0.00 C ATOM 1190 CD GLU A3311 -11.409 -5.943 -5.768 1.00 0.00 C ATOM 1191 OE1 GLU A3311 -11.152 -6.887 -4.979 1.00 0.00 O ATOM 1192 OE2 GLU A3311 -10.953 -5.898 -6.930 1.00 0.00 O ATOM 0 H GLU A3311 -13.766 -3.514 -3.273 1.00 0.00 H new ATOM 0 HA GLU A3311 -12.152 -5.821 -2.571 1.00 0.00 H new ATOM 0 HB2 GLU A3311 -11.656 -3.143 -3.938 1.00 0.00 H new ATOM 0 HB3 GLU A3311 -10.540 -4.494 -3.923 1.00 0.00 H new ATOM 0 HG2 GLU A3311 -13.248 -5.053 -5.070 1.00 0.00 H new ATOM 0 HG3 GLU A3311 -12.231 -3.959 -5.986 1.00 0.00 H new ATOM 1199 N LEU A3312 -11.572 -2.855 -1.175 1.00 0.00 N ATOM 1200 CA LEU A3312 -10.907 -2.125 -0.079 1.00 0.00 C ATOM 1201 C LEU A3312 -11.558 -2.284 1.290 1.00 0.00 C ATOM 1202 O LEU A3312 -10.913 -2.619 2.282 1.00 0.00 O ATOM 1203 CB LEU A3312 -10.866 -0.609 -0.360 1.00 0.00 C ATOM 1204 CG LEU A3312 -10.494 -0.195 -1.789 1.00 0.00 C ATOM 1205 CD1 LEU A3312 -11.243 1.082 -2.156 1.00 0.00 C ATOM 1206 CD2 LEU A3312 -8.982 -0.074 -1.944 1.00 0.00 C ATOM 0 H LEU A3312 -12.123 -2.239 -1.773 1.00 0.00 H new ATOM 0 HA LEU A3312 -9.914 -2.573 -0.048 1.00 0.00 H new ATOM 0 HB2 LEU A3312 -11.845 -0.191 -0.126 1.00 0.00 H new ATOM 0 HB3 LEU A3312 -10.152 -0.153 0.326 1.00 0.00 H new ATOM 0 HG LEU A3312 -10.802 -0.968 -2.493 1.00 0.00 H new ATOM 0 HD11 LEU A3312 -10.980 1.379 -3.171 1.00 0.00 H new ATOM 0 HD12 LEU A3312 -12.317 0.904 -2.096 1.00 0.00 H new ATOM 0 HD13 LEU A3312 -10.968 1.877 -1.463 1.00 0.00 H new ATOM 0 HD21 LEU A3312 -8.743 0.221 -2.966 1.00 0.00 H new ATOM 0 HD22 LEU A3312 -8.604 0.679 -1.252 1.00 0.00 H new ATOM 0 HD23 LEU A3312 -8.516 -1.035 -1.725 1.00 0.00 H new ATOM 1218 N LEU A3313 -12.855 -1.996 1.342 1.00 0.00 N ATOM 1219 CA LEU A3313 -13.752 -2.064 2.471 1.00 0.00 C ATOM 1220 C LEU A3313 -13.640 -3.472 3.020 1.00 0.00 C ATOM 1221 O LEU A3313 -13.540 -3.631 4.232 1.00 0.00 O ATOM 1222 CB LEU A3313 -15.178 -1.668 2.009 1.00 0.00 C ATOM 1223 CG LEU A3313 -16.323 -1.805 3.030 1.00 0.00 C ATOM 1224 CD1 LEU A3313 -16.814 -3.242 3.213 1.00 0.00 C ATOM 1225 CD2 LEU A3313 -16.066 -1.194 4.405 1.00 0.00 C ATOM 0 H LEU A3313 -13.344 -1.678 0.505 1.00 0.00 H new ATOM 0 HA LEU A3313 -13.502 -1.366 3.270 1.00 0.00 H new ATOM 0 HB2 LEU A3313 -15.147 -0.630 1.676 1.00 0.00 H new ATOM 0 HB3 LEU A3313 -15.430 -2.274 1.139 1.00 0.00 H new ATOM 0 HG LEU A3313 -17.104 -1.210 2.557 1.00 0.00 H new ATOM 0 HD11 LEU A3313 -17.620 -3.260 3.946 1.00 0.00 H new ATOM 0 HD12 LEU A3313 -17.181 -3.625 2.261 1.00 0.00 H new ATOM 0 HD13 LEU A3313 -15.991 -3.866 3.562 1.00 0.00 H new ATOM 0 HD21 LEU A3313 -16.938 -1.349 5.041 1.00 0.00 H new ATOM 0 HD22 LEU A3313 -15.197 -1.670 4.858 1.00 0.00 H new ATOM 0 HD23 LEU A3313 -15.880 -0.125 4.299 1.00 0.00 H new ATOM 1237 N ALA A3314 -13.557 -4.486 2.157 1.00 0.00 N ATOM 1238 CA ALA A3314 -13.454 -5.846 2.650 1.00 0.00 C ATOM 1239 C ALA A3314 -12.137 -6.082 3.421 1.00 0.00 C ATOM 1240 O ALA A3314 -12.084 -6.872 4.363 1.00 0.00 O ATOM 1241 CB ALA A3314 -13.564 -6.780 1.444 1.00 0.00 C ATOM 0 H ALA A3314 -13.559 -4.390 1.142 1.00 0.00 H new ATOM 0 HA ALA A3314 -14.256 -6.043 3.361 1.00 0.00 H new ATOM 0 HB1 ALA A3314 -13.490 -7.815 1.778 1.00 0.00 H new ATOM 0 HB2 ALA A3314 -14.523 -6.625 0.950 1.00 0.00 H new ATOM 0 HB3 ALA A3314 -12.757 -6.566 0.743 1.00 0.00 H new ATOM 1247 N MET A3315 -11.062 -5.366 3.072 1.00 0.00 N ATOM 1248 CA MET A3315 -9.749 -5.529 3.704 1.00 0.00 C ATOM 1249 C MET A3315 -9.689 -4.875 5.073 1.00 0.00 C ATOM 1250 O MET A3315 -9.359 -5.499 6.083 1.00 0.00 O ATOM 1251 CB MET A3315 -8.651 -4.881 2.845 1.00 0.00 C ATOM 1252 CG MET A3315 -8.694 -5.314 1.387 1.00 0.00 C ATOM 1253 SD MET A3315 -7.261 -6.318 0.912 1.00 0.00 S ATOM 1254 CE MET A3315 -7.917 -7.068 -0.596 1.00 0.00 C ATOM 0 H MET A3315 -11.079 -4.655 2.341 1.00 0.00 H new ATOM 0 HA MET A3315 -9.591 -6.603 3.802 1.00 0.00 H new ATOM 0 HB2 MET A3315 -8.750 -3.797 2.898 1.00 0.00 H new ATOM 0 HB3 MET A3315 -7.676 -5.133 3.263 1.00 0.00 H new ATOM 0 HG2 MET A3315 -9.606 -5.883 1.208 1.00 0.00 H new ATOM 0 HG3 MET A3315 -8.740 -4.430 0.751 1.00 0.00 H new ATOM 0 HE1 MET A3315 -7.165 -7.726 -1.032 1.00 0.00 H new ATOM 0 HE2 MET A3315 -8.810 -7.646 -0.356 1.00 0.00 H new ATOM 0 HE3 MET A3315 -8.172 -6.285 -1.310 1.00 0.00 H new ATOM 1264 N LEU A3316 -9.988 -3.580 5.118 1.00 0.00 N ATOM 1265 CA LEU A3316 -9.984 -2.795 6.347 1.00 0.00 C ATOM 1266 C LEU A3316 -11.019 -3.326 7.324 1.00 0.00 C ATOM 1267 O LEU A3316 -10.783 -3.275 8.533 1.00 0.00 O ATOM 1268 CB LEU A3316 -10.229 -1.315 6.041 1.00 0.00 C ATOM 1269 CG LEU A3316 -11.517 -1.064 5.223 1.00 0.00 C ATOM 1270 CD1 LEU A3316 -12.752 -0.770 6.077 1.00 0.00 C ATOM 1271 CD2 LEU A3316 -11.325 0.164 4.343 1.00 0.00 C ATOM 0 H LEU A3316 -10.243 -3.040 4.291 1.00 0.00 H new ATOM 0 HA LEU A3316 -9.002 -2.887 6.812 1.00 0.00 H new ATOM 0 HB2 LEU A3316 -10.289 -0.763 6.979 1.00 0.00 H new ATOM 0 HB3 LEU A3316 -9.375 -0.919 5.492 1.00 0.00 H new ATOM 0 HG LEU A3316 -11.684 -1.984 4.663 1.00 0.00 H new ATOM 0 HD11 LEU A3316 -13.612 -0.606 5.428 1.00 0.00 H new ATOM 0 HD12 LEU A3316 -12.950 -1.617 6.734 1.00 0.00 H new ATOM 0 HD13 LEU A3316 -12.575 0.122 6.678 1.00 0.00 H new ATOM 0 HD21 LEU A3316 -12.232 0.343 3.765 1.00 0.00 H new ATOM 0 HD22 LEU A3316 -11.117 1.031 4.969 1.00 0.00 H new ATOM 0 HD23 LEU A3316 -10.489 -0.002 3.664 1.00 0.00 H new ATOM 1283 N ASN A3317 -12.128 -3.868 6.817 1.00 0.00 N ATOM 1284 CA ASN A3317 -13.170 -4.395 7.681 1.00 0.00 C ATOM 1285 C ASN A3317 -12.862 -5.827 8.087 1.00 0.00 C ATOM 1286 O ASN A3317 -13.250 -6.230 9.179 1.00 0.00 O ATOM 1287 CB ASN A3317 -14.547 -4.301 7.011 1.00 0.00 C ATOM 1288 CG ASN A3317 -15.637 -4.129 8.041 1.00 0.00 C ATOM 1289 OD1 ASN A3317 -16.618 -4.852 8.072 1.00 0.00 O ATOM 1290 ND2 ASN A3317 -15.552 -3.076 8.837 1.00 0.00 N ATOM 0 H ASN A3317 -12.321 -3.950 5.819 1.00 0.00 H new ATOM 0 HA ASN A3317 -13.197 -3.784 8.583 1.00 0.00 H new ATOM 0 HB2 ASN A3317 -14.561 -3.461 6.317 1.00 0.00 H new ATOM 0 HB3 ASN A3317 -14.733 -5.201 6.426 1.00 0.00 H new ATOM 0 HD21 ASN A3317 -16.311 -2.863 9.484 1.00 0.00 H new ATOM 0 HD22 ASN A3317 -14.727 -2.477 8.804 1.00 0.00 H new ATOM 1297 N GLY A3318 -12.093 -6.546 7.267 1.00 0.00 N ATOM 1298 CA GLY A3318 -11.722 -7.935 7.530 1.00 0.00 C ATOM 1299 C GLY A3318 -12.904 -8.875 7.293 1.00 0.00 C ATOM 1300 O GLY A3318 -13.061 -9.854 8.028 1.00 0.00 O ATOM 0 H GLY A3318 -11.709 -6.177 6.397 1.00 0.00 H new ATOM 0 HA2 GLY A3318 -10.891 -8.221 6.885 1.00 0.00 H new ATOM 0 HA3 GLY A3318 -11.376 -8.034 8.559 1.00 0.00 H new