USER MOD reduce.3.24.130724 H: found=0, std=0, add=486, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 485 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 39 THR OG1 : rot 89:sc= 0.102 USER MOD Set 1.2: A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 21 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 32 HIS : no HE2:sc= -0.118 K(o=-0.12,f=-0.82) USER MOD Set 3.1: A 4 GLN : amide:sc= -0.172 X(o=0.34,f=0.69) USER MOD Set 3.2: A 36 ASN : amide:sc= 0.507 K(o=0.34,f=-5.3!) USER MOD Single : A 1 ARG N :NH3+ -135:sc= 0.048 (180deg=-0.377) USER MOD Single : A 2 LYS NZ :NH3+ -166:sc= 1.25 (180deg=1.2) USER MOD Single : A 12 LYS NZ :NH3+ -172:sc= 1.18 (180deg=1.09) USER MOD Single : A 13 ASN : amide:sc= 0.53 K(o=0.53,f=-1.4) USER MOD Single : A 16 SER OG : rot 84:sc= 0.064 USER MOD Single : A 20 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0836) USER MOD Single : A 25 ASN : amide:sc= 0.767 K(o=0.77,f=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 147:sc= 0.906 (180deg=-0.154) USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 SER OG : rot 41:sc= 0.382 USER MOD Single : A 44 LYS NZ :NH3+ 154:sc= 1.28 (180deg=1.08) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 MET CE :methyl 171:sc= -0.215 (180deg=-0.355) USER MOD Single : A 51 LYS NZ :NH3+ 159:sc= 1.21 (180deg=0.417) USER MOD Single : A 52 LYS NZ :NH3+ -179:sc= 0.406 (180deg=0.359) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 -18.428 3.088 -5.537 1.00 0.00 N ATOM 2 CA ARG A 1 -17.199 2.750 -4.794 1.00 0.00 C ATOM 3 C ARG A 1 -16.205 3.905 -4.886 1.00 0.00 C ATOM 4 O ARG A 1 -16.402 4.826 -5.678 1.00 0.00 O ATOM 5 CB ARG A 1 -16.571 1.460 -5.341 1.00 0.00 C ATOM 6 CG ARG A 1 -17.581 0.306 -5.253 1.00 0.00 C ATOM 7 CD ARG A 1 -16.894 -1.014 -5.620 1.00 0.00 C ATOM 8 NE ARG A 1 -15.947 -1.434 -4.573 1.00 0.00 N ATOM 9 CZ ARG A 1 -16.326 -2.050 -3.436 1.00 0.00 C ATOM 10 NH1 ARG A 1 -17.624 -2.283 -3.189 1.00 0.00 N ATOM 11 NH2 ARG A 1 -15.400 -2.432 -2.547 1.00 0.00 N ATOM 0 H1 ARG A 1 -19.260 2.832 -4.967 1.00 0.00 H new ATOM 0 H2 ARG A 1 -18.445 4.109 -5.734 1.00 0.00 H new ATOM 0 H3 ARG A 1 -18.447 2.562 -6.434 1.00 0.00 H new ATOM 0 HA ARG A 1 -17.457 2.585 -3.748 1.00 0.00 H new ATOM 0 HB2 ARG A 1 -16.263 1.606 -6.376 1.00 0.00 H new ATOM 0 HB3 ARG A 1 -15.674 1.213 -4.773 1.00 0.00 H new ATOM 0 HG2 ARG A 1 -17.991 0.245 -4.245 1.00 0.00 H new ATOM 0 HG3 ARG A 1 -18.418 0.491 -5.927 1.00 0.00 H new ATOM 0 HD2 ARG A 1 -17.646 -1.790 -5.765 1.00 0.00 H new ATOM 0 HD3 ARG A 1 -16.366 -0.901 -6.567 1.00 0.00 H new ATOM 0 HE ARG A 1 -14.954 -1.249 -4.716 1.00 0.00 H new ATOM 0 HH11 ARG A 1 -18.332 -1.993 -3.864 1.00 0.00 H new ATOM 0 HH12 ARG A 1 -17.903 -2.750 -2.326 1.00 0.00 H new ATOM 0 HH21 ARG A 1 -14.412 -2.256 -2.732 1.00 0.00 H new ATOM 0 HH22 ARG A 1 -15.682 -2.899 -1.685 1.00 0.00 H new ATOM 27 N LYS A 2 -15.136 3.856 -4.078 1.00 0.00 N ATOM 28 CA LYS A 2 -14.118 4.901 -4.068 1.00 0.00 C ATOM 29 C LYS A 2 -13.139 4.687 -5.232 1.00 0.00 C ATOM 30 O LYS A 2 -11.924 4.660 -5.027 1.00 0.00 O ATOM 31 CB LYS A 2 -13.390 4.875 -2.715 1.00 0.00 C ATOM 32 CG LYS A 2 -12.646 6.198 -2.493 1.00 0.00 C ATOM 33 CD LYS A 2 -11.536 6.009 -1.451 1.00 0.00 C ATOM 34 CE LYS A 2 -12.142 5.628 -0.096 1.00 0.00 C ATOM 35 NZ LYS A 2 -11.107 5.589 0.953 1.00 0.00 N ATOM 0 H LYS A 2 -14.959 3.096 -3.421 1.00 0.00 H new ATOM 0 HA LYS A 2 -14.581 5.879 -4.198 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -14.107 4.712 -1.910 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -12.686 4.043 -2.688 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -12.218 6.546 -3.433 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -13.344 6.965 -2.157 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -10.846 5.232 -1.781 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -10.958 6.928 -1.354 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -12.914 6.348 0.176 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -12.626 4.654 -0.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -11.483 5.107 1.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -10.275 5.073 0.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -10.831 6.560 1.205 1.00 0.00 H new ATOM 49 N ARG A 3 -13.683 4.536 -6.452 1.00 0.00 N ATOM 50 CA ARG A 3 -12.892 4.315 -7.659 1.00 0.00 C ATOM 51 C ARG A 3 -11.835 3.230 -7.409 1.00 0.00 C ATOM 52 O ARG A 3 -12.172 2.050 -7.339 1.00 0.00 O ATOM 53 CB ARG A 3 -12.257 5.639 -8.110 1.00 0.00 C ATOM 54 CG ARG A 3 -13.354 6.602 -8.578 1.00 0.00 C ATOM 55 CD ARG A 3 -12.727 7.919 -9.043 1.00 0.00 C ATOM 56 NE ARG A 3 -11.935 7.725 -10.265 1.00 0.00 N ATOM 57 CZ ARG A 3 -11.259 8.720 -10.866 1.00 0.00 C ATOM 58 NH1 ARG A 3 -11.300 9.963 -10.365 1.00 0.00 N ATOM 59 NH2 ARG A 3 -10.545 8.468 -11.970 1.00 0.00 N ATOM 0 H ARG A 3 -14.688 4.565 -6.621 1.00 0.00 H new ATOM 0 HA ARG A 3 -13.538 3.961 -8.462 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -11.695 6.083 -7.288 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -11.549 5.458 -8.919 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -13.922 6.152 -9.392 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -14.056 6.790 -7.766 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -13.511 8.654 -9.227 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -12.092 8.321 -8.254 1.00 0.00 H new ATOM 0 HE ARG A 3 -11.896 6.793 -10.677 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -11.845 10.157 -9.525 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -10.786 10.715 -10.824 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -10.515 7.523 -12.353 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -10.031 9.221 -12.428 1.00 0.00 H new ATOM 73 N GLN A 4 -10.563 3.633 -7.278 1.00 0.00 N ATOM 74 CA GLN A 4 -9.470 2.700 -7.044 1.00 0.00 C ATOM 75 C GLN A 4 -8.305 3.427 -6.368 1.00 0.00 C ATOM 76 O GLN A 4 -7.142 3.091 -6.597 1.00 0.00 O ATOM 77 CB GLN A 4 -9.038 2.081 -8.383 1.00 0.00 C ATOM 78 CG GLN A 4 -8.694 3.183 -9.396 1.00 0.00 C ATOM 79 CD GLN A 4 -8.272 2.579 -10.729 1.00 0.00 C ATOM 80 OE1 GLN A 4 -9.084 2.450 -11.639 1.00 0.00 O ATOM 81 NE2 GLN A 4 -6.998 2.209 -10.839 1.00 0.00 N ATOM 0 H GLN A 4 -10.272 4.609 -7.332 1.00 0.00 H new ATOM 0 HA GLN A 4 -9.797 1.899 -6.381 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -8.173 1.436 -8.230 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -9.838 1.454 -8.776 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -9.558 3.831 -9.542 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -7.891 3.806 -9.003 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -6.360 2.337 -10.053 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -6.660 1.798 -11.709 1.00 0.00 H new ATOM 90 N ALA A 5 -8.622 4.429 -5.533 1.00 0.00 N ATOM 91 CA ALA A 5 -7.607 5.207 -4.840 1.00 0.00 C ATOM 92 C ALA A 5 -7.024 4.387 -3.688 1.00 0.00 C ATOM 93 O ALA A 5 -5.956 3.790 -3.835 1.00 0.00 O ATOM 94 CB ALA A 5 -8.227 6.514 -4.336 1.00 0.00 C ATOM 0 H ALA A 5 -9.580 4.713 -5.327 1.00 0.00 H new ATOM 0 HA ALA A 5 -6.794 5.453 -5.523 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -7.469 7.100 -3.816 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -8.610 7.085 -5.182 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -9.044 6.289 -3.651 1.00 0.00 H new ATOM 100 N TRP A 6 -7.725 4.360 -2.544 1.00 0.00 N ATOM 101 CA TRP A 6 -7.277 3.615 -1.378 1.00 0.00 C ATOM 102 C TRP A 6 -8.474 3.163 -0.547 1.00 0.00 C ATOM 103 O TRP A 6 -8.961 3.907 0.309 1.00 0.00 O ATOM 104 CB TRP A 6 -6.337 4.483 -0.540 1.00 0.00 C ATOM 105 CG TRP A 6 -4.958 4.598 -1.101 1.00 0.00 C ATOM 106 CD1 TRP A 6 -4.454 5.673 -1.726 1.00 0.00 C ATOM 107 CD2 TRP A 6 -3.892 3.603 -1.117 1.00 0.00 C ATOM 108 NE1 TRP A 6 -3.162 5.443 -2.134 1.00 0.00 N ATOM 109 CE2 TRP A 6 -2.758 4.167 -1.782 1.00 0.00 C ATOM 110 CE3 TRP A 6 -3.762 2.277 -0.642 1.00 0.00 C ATOM 111 CZ2 TRP A 6 -1.568 3.457 -1.965 1.00 0.00 C ATOM 112 CZ3 TRP A 6 -2.563 1.557 -0.825 1.00 0.00 C ATOM 113 CH2 TRP A 6 -1.469 2.146 -1.484 1.00 0.00 C ATOM 0 H TRP A 6 -8.609 4.852 -2.411 1.00 0.00 H new ATOM 0 HA TRP A 6 -6.736 2.728 -1.707 1.00 0.00 H new ATOM 0 HB2 TRP A 6 -6.766 5.481 -0.448 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -6.276 4.068 0.466 1.00 0.00 H new ATOM 0 HD1 TRP A 6 -4.992 6.596 -1.887 1.00 0.00 H new ATOM 0 HE1 TRP A 6 -2.581 6.120 -2.628 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -4.592 1.810 -0.132 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -0.732 3.916 -2.473 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 -2.484 0.545 -0.456 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -0.554 1.588 -1.619 1.00 0.00 H new ATOM 124 N LEU A 7 -8.936 1.936 -0.797 1.00 0.00 N ATOM 125 CA LEU A 7 -10.023 1.343 -0.038 1.00 0.00 C ATOM 126 C LEU A 7 -9.433 0.669 1.201 1.00 0.00 C ATOM 127 O LEU A 7 -8.213 0.548 1.320 1.00 0.00 O ATOM 128 CB LEU A 7 -10.763 0.315 -0.913 1.00 0.00 C ATOM 129 CG LEU A 7 -11.793 1.012 -1.819 1.00 0.00 C ATOM 130 CD1 LEU A 7 -11.094 1.671 -3.014 1.00 0.00 C ATOM 131 CD2 LEU A 7 -12.792 -0.027 -2.333 1.00 0.00 C ATOM 0 H LEU A 7 -8.564 1.332 -1.530 1.00 0.00 H new ATOM 0 HA LEU A 7 -10.737 2.108 0.268 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -10.046 -0.233 -1.524 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -11.265 -0.416 -0.279 1.00 0.00 H new ATOM 0 HG LEU A 7 -12.310 1.780 -1.243 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -11.836 2.160 -3.645 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -10.379 2.411 -2.655 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -10.569 0.911 -3.593 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -13.525 0.460 -2.976 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -12.262 -0.791 -2.901 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -13.301 -0.491 -1.488 1.00 0.00 H new ATOM 143 N TRP A 8 -10.294 0.226 2.125 1.00 0.00 N ATOM 144 CA TRP A 8 -9.839 -0.438 3.339 1.00 0.00 C ATOM 145 C TRP A 8 -9.019 -1.678 2.975 1.00 0.00 C ATOM 146 O TRP A 8 -7.998 -1.953 3.601 1.00 0.00 O ATOM 147 CB TRP A 8 -11.050 -0.818 4.194 1.00 0.00 C ATOM 148 CG TRP A 8 -10.705 -1.467 5.498 1.00 0.00 C ATOM 149 CD1 TRP A 8 -10.352 -0.820 6.623 1.00 0.00 C ATOM 150 CD2 TRP A 8 -10.663 -2.886 5.840 1.00 0.00 C ATOM 151 NE1 TRP A 8 -10.095 -1.706 7.641 1.00 0.00 N ATOM 152 CE2 TRP A 8 -10.272 -3.010 7.211 1.00 0.00 C ATOM 153 CE3 TRP A 8 -10.915 -4.089 5.137 1.00 0.00 C ATOM 154 CZ2 TRP A 8 -10.138 -4.248 7.845 1.00 0.00 C ATOM 155 CZ3 TRP A 8 -10.782 -5.343 5.776 1.00 0.00 C ATOM 156 CH2 TRP A 8 -10.395 -5.420 7.126 1.00 0.00 C ATOM 0 H TRP A 8 -11.307 0.318 2.050 1.00 0.00 H new ATOM 0 HA TRP A 8 -9.203 0.236 3.913 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -11.636 0.080 4.392 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -11.686 -1.494 3.622 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -10.280 0.254 6.714 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -9.813 -1.440 8.584 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -11.213 -4.048 4.100 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -9.839 -4.300 8.881 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -10.979 -6.249 5.223 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -10.296 -6.382 7.607 1.00 0.00 H new ATOM 167 N GLU A 9 -9.472 -2.418 1.956 1.00 0.00 N ATOM 168 CA GLU A 9 -8.783 -3.613 1.489 1.00 0.00 C ATOM 169 C GLU A 9 -7.377 -3.247 1.012 1.00 0.00 C ATOM 170 O GLU A 9 -6.395 -3.828 1.462 1.00 0.00 O ATOM 171 CB GLU A 9 -9.595 -4.248 0.344 1.00 0.00 C ATOM 172 CG GLU A 9 -10.064 -5.653 0.740 1.00 0.00 C ATOM 173 CD GLU A 9 -8.906 -6.649 0.749 1.00 0.00 C ATOM 174 OE1 GLU A 9 -8.118 -6.620 -0.226 1.00 0.00 O ATOM 175 OE2 GLU A 9 -8.832 -7.424 1.727 1.00 0.00 O ATOM 0 H GLU A 9 -10.323 -2.201 1.438 1.00 0.00 H new ATOM 0 HA GLU A 9 -8.693 -4.332 2.304 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -10.456 -3.622 0.109 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -8.985 -4.302 -0.558 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -10.524 -5.619 1.728 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -10.831 -5.991 0.043 1.00 0.00 H new ATOM 182 N GLU A 10 -7.298 -2.278 0.094 1.00 0.00 N ATOM 183 CA GLU A 10 -6.032 -1.839 -0.480 1.00 0.00 C ATOM 184 C GLU A 10 -5.060 -1.401 0.622 1.00 0.00 C ATOM 185 O GLU A 10 -3.883 -1.760 0.589 1.00 0.00 O ATOM 186 CB GLU A 10 -6.304 -0.690 -1.461 1.00 0.00 C ATOM 187 CG GLU A 10 -7.248 -1.167 -2.577 1.00 0.00 C ATOM 188 CD GLU A 10 -7.505 -0.059 -3.592 1.00 0.00 C ATOM 189 OE1 GLU A 10 -7.905 1.034 -3.151 1.00 0.00 O ATOM 190 OE2 GLU A 10 -7.291 -0.329 -4.794 1.00 0.00 O ATOM 0 H GLU A 10 -8.111 -1.780 -0.268 1.00 0.00 H new ATOM 0 HA GLU A 10 -5.567 -2.667 -1.015 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -6.748 0.153 -0.933 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -5.366 -0.338 -1.891 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -6.814 -2.031 -3.080 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -8.193 -1.493 -2.143 1.00 0.00 H new ATOM 197 N ASP A 11 -5.551 -0.623 1.594 1.00 0.00 N ATOM 198 CA ASP A 11 -4.720 -0.139 2.690 1.00 0.00 C ATOM 199 C ASP A 11 -4.239 -1.312 3.549 1.00 0.00 C ATOM 200 O ASP A 11 -3.052 -1.411 3.861 1.00 0.00 O ATOM 201 CB ASP A 11 -5.523 0.854 3.531 1.00 0.00 C ATOM 202 CG ASP A 11 -4.626 1.544 4.549 1.00 0.00 C ATOM 203 OD1 ASP A 11 -4.336 0.902 5.582 1.00 0.00 O ATOM 204 OD2 ASP A 11 -4.248 2.703 4.275 1.00 0.00 O ATOM 0 H ASP A 11 -6.523 -0.317 1.639 1.00 0.00 H new ATOM 0 HA ASP A 11 -3.842 0.365 2.286 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -5.985 1.598 2.882 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -6.331 0.333 4.045 1.00 0.00 H new ATOM 209 N LYS A 12 -5.164 -2.202 3.927 1.00 0.00 N ATOM 210 CA LYS A 12 -4.838 -3.367 4.737 1.00 0.00 C ATOM 211 C LYS A 12 -3.742 -4.188 4.060 1.00 0.00 C ATOM 212 O LYS A 12 -2.773 -4.589 4.703 1.00 0.00 O ATOM 213 CB LYS A 12 -6.093 -4.215 4.925 1.00 0.00 C ATOM 214 CG LYS A 12 -5.720 -5.556 5.576 1.00 0.00 C ATOM 215 CD LYS A 12 -6.964 -6.424 5.731 1.00 0.00 C ATOM 216 CE LYS A 12 -7.615 -6.648 4.359 1.00 0.00 C ATOM 217 NZ LYS A 12 -8.462 -7.849 4.350 1.00 0.00 N ATOM 0 H LYS A 12 -6.151 -2.130 3.679 1.00 0.00 H new ATOM 0 HA LYS A 12 -4.473 -3.042 5.711 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -6.812 -3.684 5.549 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -6.574 -4.388 3.962 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -4.980 -6.073 4.965 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -5.264 -5.382 6.551 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -6.697 -7.382 6.178 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -7.672 -5.943 6.406 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -8.215 -5.777 4.094 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -6.839 -6.744 3.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -8.776 -8.045 3.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -7.918 -8.660 4.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -9.292 -7.693 4.957 1.00 0.00 H new ATOM 231 N ASN A 13 -3.904 -4.443 2.760 1.00 0.00 N ATOM 232 CA ASN A 13 -2.948 -5.233 2.001 1.00 0.00 C ATOM 233 C ASN A 13 -1.551 -4.622 2.112 1.00 0.00 C ATOM 234 O ASN A 13 -0.558 -5.347 2.086 1.00 0.00 O ATOM 235 CB ASN A 13 -3.399 -5.303 0.536 1.00 0.00 C ATOM 236 CG ASN A 13 -4.749 -6.009 0.410 1.00 0.00 C ATOM 237 OD1 ASN A 13 -5.118 -6.811 1.267 1.00 0.00 O ATOM 238 ND2 ASN A 13 -5.488 -5.708 -0.656 1.00 0.00 N ATOM 0 H ASN A 13 -4.697 -4.108 2.213 1.00 0.00 H new ATOM 0 HA ASN A 13 -2.906 -6.244 2.407 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -3.472 -4.296 0.126 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -2.651 -5.834 -0.053 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -6.399 -6.148 -0.786 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -5.143 -5.037 -1.343 1.00 0.00 H new ATOM 245 N LEU A 14 -1.473 -3.289 2.236 1.00 0.00 N ATOM 246 CA LEU A 14 -0.198 -2.600 2.332 1.00 0.00 C ATOM 247 C LEU A 14 0.458 -2.864 3.682 1.00 0.00 C ATOM 248 O LEU A 14 1.623 -3.246 3.727 1.00 0.00 O ATOM 249 CB LEU A 14 -0.409 -1.095 2.110 1.00 0.00 C ATOM 250 CG LEU A 14 0.939 -0.398 1.866 1.00 0.00 C ATOM 251 CD1 LEU A 14 1.538 -0.850 0.530 1.00 0.00 C ATOM 252 CD2 LEU A 14 0.725 1.114 1.831 1.00 0.00 C ATOM 0 H LEU A 14 -2.286 -2.674 2.271 1.00 0.00 H new ATOM 0 HA LEU A 14 0.471 -2.980 1.560 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.068 -0.935 1.257 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.900 -0.658 2.979 1.00 0.00 H new ATOM 0 HG LEU A 14 1.624 -0.662 2.671 1.00 0.00 H new ATOM 0 HD11 LEU A 14 2.492 -0.348 0.371 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.694 -1.929 0.547 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.855 -0.595 -0.280 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.679 1.613 1.658 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.033 1.365 1.027 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.310 1.445 2.783 1.00 0.00 H new ATOM 264 N ARG A 15 -0.268 -2.660 4.790 1.00 0.00 N ATOM 265 CA ARG A 15 0.324 -2.839 6.112 1.00 0.00 C ATOM 266 C ARG A 15 0.670 -4.313 6.343 1.00 0.00 C ATOM 267 O ARG A 15 1.721 -4.617 6.901 1.00 0.00 O ATOM 268 CB ARG A 15 -0.605 -2.290 7.213 1.00 0.00 C ATOM 269 CG ARG A 15 -2.002 -2.907 7.123 1.00 0.00 C ATOM 270 CD ARG A 15 -2.900 -2.312 8.211 1.00 0.00 C ATOM 271 NE ARG A 15 -3.399 -0.984 7.817 1.00 0.00 N ATOM 272 CZ ARG A 15 -3.964 -0.123 8.684 1.00 0.00 C ATOM 273 NH1 ARG A 15 -4.081 -0.449 9.978 1.00 0.00 N ATOM 274 NH2 ARG A 15 -4.410 1.059 8.251 1.00 0.00 N ATOM 0 H ARG A 15 -1.248 -2.376 4.794 1.00 0.00 H new ATOM 0 HA ARG A 15 1.250 -2.266 6.160 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -0.175 -2.500 8.192 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -0.678 -1.206 7.123 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -2.431 -2.717 6.139 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -1.940 -3.989 7.240 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -3.741 -2.979 8.398 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -2.342 -2.233 9.144 1.00 0.00 H new ATOM 0 HE ARG A 15 -3.312 -0.703 6.840 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -3.741 -1.352 10.309 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -4.510 0.206 10.632 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -4.322 1.307 7.266 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -4.839 1.713 8.906 1.00 0.00 H new ATOM 288 N SER A 16 -0.205 -5.224 5.910 1.00 0.00 N ATOM 289 CA SER A 16 0.021 -6.651 6.082 1.00 0.00 C ATOM 290 C SER A 16 1.168 -7.122 5.185 1.00 0.00 C ATOM 291 O SER A 16 2.075 -7.811 5.649 1.00 0.00 O ATOM 292 CB SER A 16 -1.269 -7.404 5.751 1.00 0.00 C ATOM 293 OG SER A 16 -2.291 -7.002 6.640 1.00 0.00 O ATOM 0 H SER A 16 -1.078 -4.992 5.437 1.00 0.00 H new ATOM 0 HA SER A 16 0.301 -6.854 7.116 1.00 0.00 H new ATOM 0 HB2 SER A 16 -1.567 -7.202 4.722 1.00 0.00 H new ATOM 0 HB3 SER A 16 -1.106 -8.479 5.830 1.00 0.00 H new ATOM 0 HG SER A 16 -2.708 -6.180 6.308 1.00 0.00 H new ATOM 299 N GLY A 17 1.122 -6.754 3.900 1.00 0.00 N ATOM 300 CA GLY A 17 2.136 -7.160 2.940 1.00 0.00 C ATOM 301 C GLY A 17 3.514 -6.641 3.345 1.00 0.00 C ATOM 302 O GLY A 17 4.470 -7.413 3.417 1.00 0.00 O ATOM 0 H GLY A 17 0.384 -6.171 3.505 1.00 0.00 H new ATOM 0 HA2 GLY A 17 2.160 -8.247 2.869 1.00 0.00 H new ATOM 0 HA3 GLY A 17 1.877 -6.782 1.951 1.00 0.00 H new ATOM 306 N VAL A 18 3.619 -5.332 3.601 1.00 0.00 N ATOM 307 CA VAL A 18 4.890 -4.713 3.957 1.00 0.00 C ATOM 308 C VAL A 18 5.463 -5.333 5.232 1.00 0.00 C ATOM 309 O VAL A 18 6.667 -5.536 5.323 1.00 0.00 O ATOM 310 CB VAL A 18 4.695 -3.201 4.128 1.00 0.00 C ATOM 311 CG1 VAL A 18 5.956 -2.585 4.733 1.00 0.00 C ATOM 312 CG2 VAL A 18 4.436 -2.563 2.763 1.00 0.00 C ATOM 0 H VAL A 18 2.833 -4.683 3.567 1.00 0.00 H new ATOM 0 HA VAL A 18 5.605 -4.891 3.154 1.00 0.00 H new ATOM 0 HB VAL A 18 3.846 -3.022 4.788 1.00 0.00 H new ATOM 0 HG11 VAL A 18 5.815 -1.511 4.853 1.00 0.00 H new ATOM 0 HG12 VAL A 18 6.151 -3.037 5.706 1.00 0.00 H new ATOM 0 HG13 VAL A 18 6.803 -2.768 4.072 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.297 -1.489 2.884 1.00 0.00 H new ATOM 0 HG22 VAL A 18 5.287 -2.748 2.108 1.00 0.00 H new ATOM 0 HG23 VAL A 18 3.538 -2.997 2.323 1.00 0.00 H new ATOM 322 N ARG A 19 4.613 -5.632 6.218 1.00 0.00 N ATOM 323 CA ARG A 19 5.079 -6.213 7.474 1.00 0.00 C ATOM 324 C ARG A 19 5.744 -7.578 7.238 1.00 0.00 C ATOM 325 O ARG A 19 6.468 -8.058 8.108 1.00 0.00 O ATOM 326 CB ARG A 19 3.903 -6.343 8.450 1.00 0.00 C ATOM 327 CG ARG A 19 3.621 -4.987 9.109 1.00 0.00 C ATOM 328 CD ARG A 19 4.547 -4.791 10.316 1.00 0.00 C ATOM 329 NE ARG A 19 4.550 -3.389 10.759 1.00 0.00 N ATOM 330 CZ ARG A 19 3.548 -2.830 11.464 1.00 0.00 C ATOM 331 NH1 ARG A 19 2.472 -3.554 11.803 1.00 0.00 N ATOM 332 NH2 ARG A 19 3.627 -1.542 11.827 1.00 0.00 N ATOM 0 H ARG A 19 3.605 -5.482 6.169 1.00 0.00 H new ATOM 0 HA ARG A 19 5.829 -5.552 7.908 1.00 0.00 H new ATOM 0 HB2 ARG A 19 3.016 -6.692 7.921 1.00 0.00 H new ATOM 0 HB3 ARG A 19 4.132 -7.087 9.213 1.00 0.00 H new ATOM 0 HG2 ARG A 19 3.774 -4.184 8.388 1.00 0.00 H new ATOM 0 HG3 ARG A 19 2.580 -4.937 9.427 1.00 0.00 H new ATOM 0 HD2 ARG A 19 4.223 -5.434 11.135 1.00 0.00 H new ATOM 0 HD3 ARG A 19 5.560 -5.095 10.054 1.00 0.00 H new ATOM 0 HE ARG A 19 5.354 -2.809 10.520 1.00 0.00 H new ATOM 0 HH11 ARG A 19 2.409 -4.534 11.527 1.00 0.00 H new ATOM 0 HH12 ARG A 19 1.716 -3.125 12.337 1.00 0.00 H new ATOM 0 HH21 ARG A 19 4.444 -0.989 11.569 1.00 0.00 H new ATOM 0 HH22 ARG A 19 2.870 -1.115 12.361 1.00 0.00 H new ATOM 346 N LYS A 20 5.500 -8.201 6.072 1.00 0.00 N ATOM 347 CA LYS A 20 6.080 -9.503 5.752 1.00 0.00 C ATOM 348 C LYS A 20 7.240 -9.347 4.759 1.00 0.00 C ATOM 349 O LYS A 20 8.364 -9.743 5.057 1.00 0.00 O ATOM 350 CB LYS A 20 4.991 -10.418 5.170 1.00 0.00 C ATOM 351 CG LYS A 20 4.434 -11.342 6.262 1.00 0.00 C ATOM 352 CD LYS A 20 3.674 -10.521 7.312 1.00 0.00 C ATOM 353 CE LYS A 20 3.029 -11.456 8.341 1.00 0.00 C ATOM 354 NZ LYS A 20 4.049 -12.138 9.160 1.00 0.00 N ATOM 0 H LYS A 20 4.903 -7.818 5.339 1.00 0.00 H new ATOM 0 HA LYS A 20 6.475 -9.952 6.663 1.00 0.00 H new ATOM 0 HB2 LYS A 20 4.187 -9.815 4.749 1.00 0.00 H new ATOM 0 HB3 LYS A 20 5.403 -11.013 4.355 1.00 0.00 H new ATOM 0 HG2 LYS A 20 3.769 -12.083 5.818 1.00 0.00 H new ATOM 0 HG3 LYS A 20 5.249 -11.889 6.737 1.00 0.00 H new ATOM 0 HD2 LYS A 20 4.356 -9.833 7.811 1.00 0.00 H new ATOM 0 HD3 LYS A 20 2.908 -9.916 6.828 1.00 0.00 H new ATOM 0 HE2 LYS A 20 2.363 -10.884 8.988 1.00 0.00 H new ATOM 0 HE3 LYS A 20 2.416 -12.197 7.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 3.585 -12.643 9.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 4.570 -12.817 8.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 4.711 -11.435 9.546 1.00 0.00 H new ATOM 368 N TYR A 21 6.959 -8.788 3.575 1.00 0.00 N ATOM 369 CA TYR A 21 7.964 -8.644 2.524 1.00 0.00 C ATOM 370 C TYR A 21 8.950 -7.518 2.836 1.00 0.00 C ATOM 371 O TYR A 21 10.124 -7.616 2.481 1.00 0.00 O ATOM 372 CB TYR A 21 7.260 -8.377 1.191 1.00 0.00 C ATOM 373 CG TYR A 21 6.494 -9.577 0.674 1.00 0.00 C ATOM 374 CD1 TYR A 21 7.190 -10.682 0.152 1.00 0.00 C ATOM 375 CD2 TYR A 21 5.087 -9.592 0.720 1.00 0.00 C ATOM 376 CE1 TYR A 21 6.483 -11.800 -0.320 1.00 0.00 C ATOM 377 CE2 TYR A 21 4.383 -10.711 0.246 1.00 0.00 C ATOM 378 CZ TYR A 21 5.080 -11.815 -0.270 1.00 0.00 C ATOM 379 OH TYR A 21 4.396 -12.904 -0.724 1.00 0.00 O ATOM 0 H TYR A 21 6.038 -8.428 3.324 1.00 0.00 H new ATOM 0 HA TYR A 21 8.537 -9.569 2.464 1.00 0.00 H new ATOM 0 HB2 TYR A 21 6.573 -7.539 1.311 1.00 0.00 H new ATOM 0 HB3 TYR A 21 8.001 -8.079 0.449 1.00 0.00 H new ATOM 0 HD1 TYR A 21 8.269 -10.671 0.114 1.00 0.00 H new ATOM 0 HD2 TYR A 21 4.550 -8.744 1.119 1.00 0.00 H new ATOM 0 HE1 TYR A 21 7.018 -12.648 -0.721 1.00 0.00 H new ATOM 0 HE2 TYR A 21 3.304 -10.722 0.279 1.00 0.00 H new ATOM 0 HH TYR A 21 3.433 -12.753 -0.618 1.00 0.00 H new ATOM 389 N GLY A 22 8.481 -6.450 3.486 1.00 0.00 N ATOM 390 CA GLY A 22 9.323 -5.304 3.803 1.00 0.00 C ATOM 391 C GLY A 22 9.213 -4.265 2.690 1.00 0.00 C ATOM 392 O GLY A 22 9.232 -4.615 1.506 1.00 0.00 O ATOM 0 H GLY A 22 7.516 -6.359 3.803 1.00 0.00 H new ATOM 0 HA2 GLY A 22 9.017 -4.867 4.754 1.00 0.00 H new ATOM 0 HA3 GLY A 22 10.359 -5.622 3.917 1.00 0.00 H new ATOM 396 N GLU A 23 9.095 -2.985 3.069 1.00 0.00 N ATOM 397 CA GLU A 23 8.969 -1.903 2.105 1.00 0.00 C ATOM 398 C GLU A 23 10.181 -1.895 1.173 1.00 0.00 C ATOM 399 O GLU A 23 11.281 -2.276 1.573 1.00 0.00 O ATOM 400 CB GLU A 23 8.810 -0.561 2.838 1.00 0.00 C ATOM 401 CG GLU A 23 10.019 -0.280 3.740 1.00 0.00 C ATOM 402 CD GLU A 23 9.800 0.995 4.545 1.00 0.00 C ATOM 403 OE1 GLU A 23 9.944 2.082 3.943 1.00 0.00 O ATOM 404 OE2 GLU A 23 9.487 0.867 5.749 1.00 0.00 O ATOM 0 H GLU A 23 9.085 -2.681 4.043 1.00 0.00 H new ATOM 0 HA GLU A 23 8.078 -2.057 1.496 1.00 0.00 H new ATOM 0 HB2 GLU A 23 8.699 0.244 2.111 1.00 0.00 H new ATOM 0 HB3 GLU A 23 7.900 -0.576 3.438 1.00 0.00 H new ATOM 0 HG2 GLU A 23 10.179 -1.120 4.415 1.00 0.00 H new ATOM 0 HG3 GLU A 23 10.919 -0.183 3.132 1.00 0.00 H new ATOM 411 N GLY A 24 9.967 -1.468 -0.077 1.00 0.00 N ATOM 412 CA GLY A 24 11.016 -1.442 -1.085 1.00 0.00 C ATOM 413 C GLY A 24 10.770 -2.549 -2.104 1.00 0.00 C ATOM 414 O GLY A 24 10.956 -2.342 -3.302 1.00 0.00 O ATOM 0 H GLY A 24 9.063 -1.133 -0.410 1.00 0.00 H new ATOM 0 HA2 GLY A 24 11.033 -0.472 -1.583 1.00 0.00 H new ATOM 0 HA3 GLY A 24 11.990 -1.576 -0.615 1.00 0.00 H new ATOM 418 N ASN A 25 10.338 -3.727 -1.624 1.00 0.00 N ATOM 419 CA ASN A 25 10.046 -4.866 -2.492 1.00 0.00 C ATOM 420 C ASN A 25 8.654 -4.698 -3.106 1.00 0.00 C ATOM 421 O ASN A 25 7.846 -5.626 -3.089 1.00 0.00 O ATOM 422 CB ASN A 25 10.121 -6.160 -1.672 1.00 0.00 C ATOM 423 CG ASN A 25 11.476 -6.299 -0.987 1.00 0.00 C ATOM 424 OD1 ASN A 25 12.448 -6.719 -1.609 1.00 0.00 O ATOM 425 ND2 ASN A 25 11.539 -5.946 0.296 1.00 0.00 N ATOM 0 H ASN A 25 10.184 -3.910 -0.632 1.00 0.00 H new ATOM 0 HA ASN A 25 10.778 -4.916 -3.298 1.00 0.00 H new ATOM 0 HB2 ASN A 25 9.329 -6.166 -0.923 1.00 0.00 H new ATOM 0 HB3 ASN A 25 9.950 -7.017 -2.323 1.00 0.00 H new ATOM 0 HD21 ASN A 25 12.421 -6.019 0.802 1.00 0.00 H new ATOM 0 HD22 ASN A 25 10.705 -5.602 0.772 1.00 0.00 H new ATOM 432 N TRP A 26 8.377 -3.507 -3.644 1.00 0.00 N ATOM 433 CA TRP A 26 7.085 -3.194 -4.227 1.00 0.00 C ATOM 434 C TRP A 26 6.812 -4.087 -5.433 1.00 0.00 C ATOM 435 O TRP A 26 5.677 -4.501 -5.649 1.00 0.00 O ATOM 436 CB TRP A 26 7.063 -1.712 -4.611 1.00 0.00 C ATOM 437 CG TRP A 26 7.316 -0.781 -3.463 1.00 0.00 C ATOM 438 CD1 TRP A 26 8.247 0.191 -3.428 1.00 0.00 C ATOM 439 CD2 TRP A 26 6.652 -0.723 -2.163 1.00 0.00 C ATOM 440 NE1 TRP A 26 8.227 0.848 -2.223 1.00 0.00 N ATOM 441 CE2 TRP A 26 7.257 0.321 -1.392 1.00 0.00 C ATOM 442 CE3 TRP A 26 5.601 -1.443 -1.544 1.00 0.00 C ATOM 443 CZ2 TRP A 26 6.850 0.625 -0.091 1.00 0.00 C ATOM 444 CZ3 TRP A 26 5.187 -1.135 -0.232 1.00 0.00 C ATOM 445 CH2 TRP A 26 5.810 -0.105 0.492 1.00 0.00 C ATOM 0 H TRP A 26 9.047 -2.739 -3.684 1.00 0.00 H new ATOM 0 HA TRP A 26 6.294 -3.383 -3.501 1.00 0.00 H new ATOM 0 HB2 TRP A 26 7.814 -1.535 -5.381 1.00 0.00 H new ATOM 0 HB3 TRP A 26 6.094 -1.475 -5.051 1.00 0.00 H new ATOM 0 HD1 TRP A 26 8.920 0.423 -4.240 1.00 0.00 H new ATOM 0 HE1 TRP A 26 8.845 1.621 -1.975 1.00 0.00 H new ATOM 0 HE3 TRP A 26 5.110 -2.239 -2.084 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 7.335 1.417 0.460 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 4.383 -1.696 0.221 1.00 0.00 H new ATOM 0 HH2 TRP A 26 5.486 0.122 1.497 1.00 0.00 H new ATOM 456 N SER A 27 7.855 -4.389 -6.213 1.00 0.00 N ATOM 457 CA SER A 27 7.725 -5.242 -7.385 1.00 0.00 C ATOM 458 C SER A 27 7.163 -6.611 -6.989 1.00 0.00 C ATOM 459 O SER A 27 6.426 -7.223 -7.758 1.00 0.00 O ATOM 460 CB SER A 27 9.097 -5.393 -8.042 1.00 0.00 C ATOM 461 OG SER A 27 10.045 -5.799 -7.075 1.00 0.00 O ATOM 0 H SER A 27 8.802 -4.050 -6.047 1.00 0.00 H new ATOM 0 HA SER A 27 7.032 -4.788 -8.093 1.00 0.00 H new ATOM 0 HB2 SER A 27 9.047 -6.126 -8.847 1.00 0.00 H new ATOM 0 HB3 SER A 27 9.402 -4.448 -8.491 1.00 0.00 H new ATOM 0 HG SER A 27 10.923 -5.897 -7.499 1.00 0.00 H new ATOM 467 N LYS A 28 7.513 -7.088 -5.788 1.00 0.00 N ATOM 468 CA LYS A 28 7.053 -8.378 -5.300 1.00 0.00 C ATOM 469 C LYS A 28 5.672 -8.231 -4.663 1.00 0.00 C ATOM 470 O LYS A 28 4.755 -8.984 -4.986 1.00 0.00 O ATOM 471 CB LYS A 28 8.061 -8.926 -4.276 1.00 0.00 C ATOM 472 CG LYS A 28 9.487 -8.950 -4.861 1.00 0.00 C ATOM 473 CD LYS A 28 9.553 -9.811 -6.134 1.00 0.00 C ATOM 474 CE LYS A 28 9.018 -11.220 -5.851 1.00 0.00 C ATOM 475 NZ LYS A 28 9.388 -12.155 -6.928 1.00 0.00 N ATOM 0 H LYS A 28 8.119 -6.589 -5.137 1.00 0.00 H new ATOM 0 HA LYS A 28 6.977 -9.077 -6.133 1.00 0.00 H new ATOM 0 HB2 LYS A 28 8.043 -8.309 -3.377 1.00 0.00 H new ATOM 0 HB3 LYS A 28 7.770 -9.933 -3.977 1.00 0.00 H new ATOM 0 HG2 LYS A 28 9.806 -7.933 -5.090 1.00 0.00 H new ATOM 0 HG3 LYS A 28 10.181 -9.342 -4.118 1.00 0.00 H new ATOM 0 HD2 LYS A 28 8.968 -9.345 -6.927 1.00 0.00 H new ATOM 0 HD3 LYS A 28 10.582 -9.870 -6.489 1.00 0.00 H new ATOM 0 HE2 LYS A 28 9.415 -11.579 -4.901 1.00 0.00 H new ATOM 0 HE3 LYS A 28 7.933 -11.187 -5.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 9.013 -13.101 -6.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 8.988 -11.823 -7.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 10.424 -12.203 -7.006 1.00 0.00 H new ATOM 489 N ILE A 29 5.534 -7.263 -3.750 1.00 0.00 N ATOM 490 CA ILE A 29 4.285 -7.027 -3.031 1.00 0.00 C ATOM 491 C ILE A 29 3.116 -6.848 -4.009 1.00 0.00 C ATOM 492 O ILE A 29 2.050 -7.425 -3.803 1.00 0.00 O ATOM 493 CB ILE A 29 4.455 -5.790 -2.131 1.00 0.00 C ATOM 494 CG1 ILE A 29 5.393 -6.135 -0.962 1.00 0.00 C ATOM 495 CG2 ILE A 29 3.093 -5.353 -1.581 1.00 0.00 C ATOM 496 CD1 ILE A 29 5.968 -4.855 -0.346 1.00 0.00 C ATOM 0 H ILE A 29 6.286 -6.624 -3.492 1.00 0.00 H new ATOM 0 HA ILE A 29 4.052 -7.892 -2.410 1.00 0.00 H new ATOM 0 HB ILE A 29 4.882 -4.976 -2.717 1.00 0.00 H new ATOM 0 HG12 ILE A 29 4.849 -6.699 -0.204 1.00 0.00 H new ATOM 0 HG13 ILE A 29 6.203 -6.774 -1.313 1.00 0.00 H new ATOM 0 HG21 ILE A 29 3.221 -4.477 -0.945 1.00 0.00 H new ATOM 0 HG22 ILE A 29 2.429 -5.106 -2.409 1.00 0.00 H new ATOM 0 HG23 ILE A 29 2.659 -6.165 -0.997 1.00 0.00 H new ATOM 0 HD11 ILE A 29 6.630 -5.114 0.480 1.00 0.00 H new ATOM 0 HD12 ILE A 29 6.530 -4.307 -1.103 1.00 0.00 H new ATOM 0 HD13 ILE A 29 5.154 -4.231 0.023 1.00 0.00 H new ATOM 508 N LEU A 30 3.315 -6.048 -5.067 1.00 0.00 N ATOM 509 CA LEU A 30 2.271 -5.780 -6.055 1.00 0.00 C ATOM 510 C LEU A 30 1.748 -7.079 -6.673 1.00 0.00 C ATOM 511 O LEU A 30 0.553 -7.202 -6.929 1.00 0.00 O ATOM 512 CB LEU A 30 2.836 -4.874 -7.158 1.00 0.00 C ATOM 513 CG LEU A 30 2.863 -3.410 -6.694 1.00 0.00 C ATOM 514 CD1 LEU A 30 3.723 -2.591 -7.661 1.00 0.00 C ATOM 515 CD2 LEU A 30 1.439 -2.841 -6.676 1.00 0.00 C ATOM 0 H LEU A 30 4.198 -5.574 -5.257 1.00 0.00 H new ATOM 0 HA LEU A 30 1.440 -5.284 -5.554 1.00 0.00 H new ATOM 0 HB2 LEU A 30 3.844 -5.197 -7.420 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.228 -4.965 -8.058 1.00 0.00 H new ATOM 0 HG LEU A 30 3.282 -3.358 -5.689 1.00 0.00 H new ATOM 0 HD11 LEU A 30 3.746 -1.551 -7.336 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.737 -2.990 -7.673 1.00 0.00 H new ATOM 0 HD13 LEU A 30 3.299 -2.649 -8.663 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.466 -1.803 -6.346 1.00 0.00 H new ATOM 0 HD22 LEU A 30 1.014 -2.892 -7.678 1.00 0.00 H new ATOM 0 HD23 LEU A 30 0.823 -3.423 -5.991 1.00 0.00 H new ATOM 527 N LEU A 31 2.645 -8.035 -6.927 1.00 0.00 N ATOM 528 CA LEU A 31 2.280 -9.291 -7.567 1.00 0.00 C ATOM 529 C LEU A 31 1.652 -10.259 -6.563 1.00 0.00 C ATOM 530 O LEU A 31 0.644 -10.893 -6.865 1.00 0.00 O ATOM 531 CB LEU A 31 3.538 -9.921 -8.192 1.00 0.00 C ATOM 532 CG LEU A 31 3.730 -9.469 -9.655 1.00 0.00 C ATOM 533 CD1 LEU A 31 2.693 -10.145 -10.560 1.00 0.00 C ATOM 534 CD2 LEU A 31 3.607 -7.945 -9.776 1.00 0.00 C ATOM 0 H LEU A 31 3.635 -7.957 -6.695 1.00 0.00 H new ATOM 0 HA LEU A 31 1.541 -9.089 -8.343 1.00 0.00 H new ATOM 0 HB2 LEU A 31 4.414 -9.643 -7.606 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.460 -11.007 -8.153 1.00 0.00 H new ATOM 0 HG LEU A 31 4.730 -9.764 -9.972 1.00 0.00 H new ATOM 0 HD11 LEU A 31 2.840 -9.817 -11.589 1.00 0.00 H new ATOM 0 HD12 LEU A 31 2.811 -11.227 -10.503 1.00 0.00 H new ATOM 0 HD13 LEU A 31 1.690 -9.872 -10.232 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.746 -7.650 -10.816 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.619 -7.632 -9.439 1.00 0.00 H new ATOM 0 HD23 LEU A 31 4.369 -7.468 -9.159 1.00 0.00 H new ATOM 546 N HIS A 32 2.256 -10.386 -5.378 1.00 0.00 N ATOM 547 CA HIS A 32 1.785 -11.325 -4.370 1.00 0.00 C ATOM 548 C HIS A 32 0.443 -10.889 -3.782 1.00 0.00 C ATOM 549 O HIS A 32 -0.525 -11.645 -3.831 1.00 0.00 O ATOM 550 CB HIS A 32 2.839 -11.448 -3.268 1.00 0.00 C ATOM 551 CG HIS A 32 4.119 -12.068 -3.760 1.00 0.00 C ATOM 552 ND1 HIS A 32 4.152 -13.267 -4.462 1.00 0.00 N ATOM 553 CD2 HIS A 32 5.430 -11.680 -3.665 1.00 0.00 C ATOM 554 CE1 HIS A 32 5.446 -13.519 -4.740 1.00 0.00 C ATOM 555 NE2 HIS A 32 6.281 -12.586 -4.280 1.00 0.00 N ATOM 0 H HIS A 32 3.075 -9.846 -5.098 1.00 0.00 H new ATOM 0 HA HIS A 32 1.631 -12.296 -4.841 1.00 0.00 H new ATOM 0 HB2 HIS A 32 3.051 -10.459 -2.861 1.00 0.00 H new ATOM 0 HB3 HIS A 32 2.438 -12.049 -2.452 1.00 0.00 H new ATOM 0 HD1 HIS A 32 3.351 -13.845 -4.717 1.00 0.00 H new ATOM 0 HD2 HIS A 32 5.760 -10.778 -3.171 1.00 0.00 H new ATOM 0 HE1 HIS A 32 5.776 -14.392 -5.283 1.00 0.00 H new ATOM 563 N TYR A 33 0.388 -9.682 -3.213 1.00 0.00 N ATOM 564 CA TYR A 33 -0.823 -9.187 -2.568 1.00 0.00 C ATOM 565 C TYR A 33 -1.723 -8.480 -3.586 1.00 0.00 C ATOM 566 O TYR A 33 -1.295 -8.159 -4.692 1.00 0.00 O ATOM 567 CB TYR A 33 -0.436 -8.252 -1.421 1.00 0.00 C ATOM 568 CG TYR A 33 -0.313 -8.956 -0.083 1.00 0.00 C ATOM 569 CD1 TYR A 33 0.577 -10.036 0.067 1.00 0.00 C ATOM 570 CD2 TYR A 33 -1.089 -8.532 1.011 1.00 0.00 C ATOM 571 CE1 TYR A 33 0.688 -10.687 1.308 1.00 0.00 C ATOM 572 CE2 TYR A 33 -0.975 -9.183 2.250 1.00 0.00 C ATOM 573 CZ TYR A 33 -0.087 -10.261 2.399 1.00 0.00 C ATOM 574 OH TYR A 33 0.021 -10.890 3.604 1.00 0.00 O ATOM 0 H TYR A 33 1.172 -9.031 -3.188 1.00 0.00 H new ATOM 0 HA TYR A 33 -1.389 -10.025 -2.160 1.00 0.00 H new ATOM 0 HB2 TYR A 33 0.513 -7.772 -1.659 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -1.182 -7.461 -1.340 1.00 0.00 H new ATOM 0 HD1 TYR A 33 1.174 -10.364 -0.771 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -1.774 -7.704 0.898 1.00 0.00 H new ATOM 0 HE1 TYR A 33 1.370 -11.516 1.423 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -1.571 -8.855 3.089 1.00 0.00 H new ATOM 0 HH TYR A 33 -0.585 -10.468 4.249 1.00 0.00 H new ATOM 584 N LYS A 34 -2.982 -8.250 -3.194 1.00 0.00 N ATOM 585 CA LYS A 34 -3.975 -7.628 -4.056 1.00 0.00 C ATOM 586 C LYS A 34 -3.758 -6.113 -4.123 1.00 0.00 C ATOM 587 O LYS A 34 -3.894 -5.419 -3.113 1.00 0.00 O ATOM 588 CB LYS A 34 -5.368 -7.953 -3.503 1.00 0.00 C ATOM 589 CG LYS A 34 -6.454 -7.478 -4.478 1.00 0.00 C ATOM 590 CD LYS A 34 -7.790 -7.301 -3.738 1.00 0.00 C ATOM 591 CE LYS A 34 -8.261 -8.637 -3.140 1.00 0.00 C ATOM 592 NZ LYS A 34 -7.741 -8.830 -1.770 1.00 0.00 N ATOM 0 H LYS A 34 -3.334 -8.493 -2.268 1.00 0.00 H new ATOM 0 HA LYS A 34 -3.881 -8.017 -5.070 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -5.460 -9.027 -3.341 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -5.504 -7.471 -2.535 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -6.155 -6.535 -4.935 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -6.570 -8.201 -5.285 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -7.677 -6.562 -2.945 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -8.544 -6.918 -4.426 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -9.351 -8.666 -3.124 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -7.929 -9.458 -3.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -8.436 -9.359 -1.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -6.849 -9.363 -1.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -7.571 -7.903 -1.329 1.00 0.00 H new ATOM 606 N PHE A 35 -3.437 -5.606 -5.324 1.00 0.00 N ATOM 607 CA PHE A 35 -3.246 -4.180 -5.551 1.00 0.00 C ATOM 608 C PHE A 35 -3.657 -3.830 -6.977 1.00 0.00 C ATOM 609 O PHE A 35 -3.836 -4.716 -7.811 1.00 0.00 O ATOM 610 CB PHE A 35 -1.781 -3.798 -5.325 1.00 0.00 C ATOM 611 CG PHE A 35 -1.371 -3.810 -3.873 1.00 0.00 C ATOM 612 CD1 PHE A 35 -1.745 -2.749 -3.026 1.00 0.00 C ATOM 613 CD2 PHE A 35 -0.612 -4.877 -3.366 1.00 0.00 C ATOM 614 CE1 PHE A 35 -1.361 -2.761 -1.679 1.00 0.00 C ATOM 615 CE2 PHE A 35 -0.229 -4.881 -2.019 1.00 0.00 C ATOM 616 CZ PHE A 35 -0.602 -3.827 -1.179 1.00 0.00 C ATOM 0 H PHE A 35 -3.305 -6.178 -6.158 1.00 0.00 H new ATOM 0 HA PHE A 35 -3.865 -3.623 -4.848 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -1.145 -4.488 -5.879 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -1.606 -2.803 -5.735 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -2.327 -1.927 -3.415 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -0.324 -5.692 -4.013 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -1.650 -1.950 -1.027 1.00 0.00 H new ATOM 0 HE2 PHE A 35 0.356 -5.700 -1.628 1.00 0.00 H new ATOM 0 HZ PHE A 35 -0.304 -3.835 -0.141 1.00 0.00 H new ATOM 626 N ASN A 36 -3.794 -2.526 -7.247 1.00 0.00 N ATOM 627 CA ASN A 36 -4.145 -2.027 -8.569 1.00 0.00 C ATOM 628 C ASN A 36 -2.886 -1.424 -9.207 1.00 0.00 C ATOM 629 O ASN A 36 -1.778 -1.878 -8.921 1.00 0.00 O ATOM 630 CB ASN A 36 -5.273 -0.993 -8.428 1.00 0.00 C ATOM 631 CG ASN A 36 -6.141 -0.955 -9.682 1.00 0.00 C ATOM 632 OD1 ASN A 36 -5.776 -0.329 -10.669 1.00 0.00 O ATOM 633 ND2 ASN A 36 -7.289 -1.630 -9.641 1.00 0.00 N ATOM 0 H ASN A 36 -3.663 -1.792 -6.550 1.00 0.00 H new ATOM 0 HA ASN A 36 -4.507 -2.827 -9.215 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -5.889 -1.237 -7.563 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -4.846 -0.007 -8.247 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -7.905 -1.639 -10.454 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -7.552 -2.138 -8.796 1.00 0.00 H new ATOM 640 N ASN A 37 -3.045 -0.401 -10.058 1.00 0.00 N ATOM 641 CA ASN A 37 -1.913 0.258 -10.697 1.00 0.00 C ATOM 642 C ASN A 37 -1.257 1.219 -9.701 1.00 0.00 C ATOM 643 O ASN A 37 -1.251 2.431 -9.913 1.00 0.00 O ATOM 644 CB ASN A 37 -2.394 1.008 -11.946 1.00 0.00 C ATOM 645 CG ASN A 37 -2.983 0.048 -12.975 1.00 0.00 C ATOM 646 OD1 ASN A 37 -4.182 0.072 -13.233 1.00 0.00 O ATOM 647 ND2 ASN A 37 -2.136 -0.797 -13.566 1.00 0.00 N ATOM 0 H ASN A 37 -3.953 -0.015 -10.316 1.00 0.00 H new ATOM 0 HA ASN A 37 -1.175 -0.483 -11.003 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -3.144 1.747 -11.663 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -1.561 1.553 -12.389 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -2.478 -1.458 -14.263 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -1.146 -0.782 -13.320 1.00 0.00 H new ATOM 654 N ARG A 38 -0.707 0.669 -8.611 1.00 0.00 N ATOM 655 CA ARG A 38 -0.065 1.462 -7.576 1.00 0.00 C ATOM 656 C ARG A 38 1.408 1.664 -7.925 1.00 0.00 C ATOM 657 O ARG A 38 2.153 0.695 -8.063 1.00 0.00 O ATOM 658 CB ARG A 38 -0.203 0.740 -6.225 1.00 0.00 C ATOM 659 CG ARG A 38 -0.758 1.699 -5.165 1.00 0.00 C ATOM 660 CD ARG A 38 -2.284 1.776 -5.270 1.00 0.00 C ATOM 661 NE ARG A 38 -2.892 0.496 -4.890 1.00 0.00 N ATOM 662 CZ ARG A 38 -4.217 0.283 -4.887 1.00 0.00 C ATOM 663 NH1 ARG A 38 -5.067 1.281 -5.146 1.00 0.00 N ATOM 664 NH2 ARG A 38 -4.692 -0.938 -4.623 1.00 0.00 N ATOM 0 H ARG A 38 -0.699 -0.335 -8.430 1.00 0.00 H new ATOM 0 HA ARG A 38 -0.544 2.439 -7.507 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -0.865 -0.120 -6.330 1.00 0.00 H new ATOM 0 HB3 ARG A 38 0.767 0.358 -5.908 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -0.471 1.359 -4.170 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -0.326 2.691 -5.299 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -2.659 2.569 -4.623 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -2.571 2.033 -6.289 1.00 0.00 H new ATOM 0 HE ARG A 38 -2.277 -0.270 -4.614 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -4.710 2.215 -5.348 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -6.072 1.109 -5.141 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -4.048 -1.704 -4.425 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -5.698 -1.104 -4.620 1.00 0.00 H new ATOM 678 N THR A 39 1.826 2.924 -8.067 1.00 0.00 N ATOM 679 CA THR A 39 3.206 3.248 -8.389 1.00 0.00 C ATOM 680 C THR A 39 4.081 3.076 -7.143 1.00 0.00 C ATOM 681 O THR A 39 3.582 3.108 -6.017 1.00 0.00 O ATOM 682 CB THR A 39 3.267 4.690 -8.914 1.00 0.00 C ATOM 683 OG1 THR A 39 2.194 4.913 -9.803 1.00 0.00 O ATOM 684 CG2 THR A 39 4.588 4.931 -9.649 1.00 0.00 C ATOM 0 H THR A 39 1.219 3.737 -7.962 1.00 0.00 H new ATOM 0 HA THR A 39 3.583 2.576 -9.160 1.00 0.00 H new ATOM 0 HB THR A 39 3.198 5.375 -8.069 1.00 0.00 H new ATOM 0 HG1 THR A 39 1.415 5.234 -9.302 1.00 0.00 H new ATOM 0 HG21 THR A 39 4.618 5.957 -10.016 1.00 0.00 H new ATOM 0 HG22 THR A 39 5.420 4.766 -8.965 1.00 0.00 H new ATOM 0 HG23 THR A 39 4.667 4.242 -10.490 1.00 0.00 H new ATOM 692 N SER A 40 5.391 2.896 -7.349 1.00 0.00 N ATOM 693 CA SER A 40 6.337 2.725 -6.253 1.00 0.00 C ATOM 694 C SER A 40 6.219 3.890 -5.266 1.00 0.00 C ATOM 695 O SER A 40 6.162 3.676 -4.057 1.00 0.00 O ATOM 696 CB SER A 40 7.756 2.641 -6.825 1.00 0.00 C ATOM 697 OG SER A 40 8.684 2.488 -5.773 1.00 0.00 O ATOM 0 H SER A 40 5.817 2.866 -8.275 1.00 0.00 H new ATOM 0 HA SER A 40 6.113 1.804 -5.715 1.00 0.00 H new ATOM 0 HB2 SER A 40 7.831 1.800 -7.515 1.00 0.00 H new ATOM 0 HB3 SER A 40 7.983 3.542 -7.395 1.00 0.00 H new ATOM 0 HG SER A 40 8.322 1.870 -5.105 1.00 0.00 H new ATOM 703 N VAL A 41 6.185 5.124 -5.789 1.00 0.00 N ATOM 704 CA VAL A 41 6.095 6.316 -4.956 1.00 0.00 C ATOM 705 C VAL A 41 4.788 6.318 -4.152 1.00 0.00 C ATOM 706 O VAL A 41 4.780 6.748 -3.002 1.00 0.00 O ATOM 707 CB VAL A 41 6.223 7.574 -5.839 1.00 0.00 C ATOM 708 CG1 VAL A 41 5.005 7.719 -6.759 1.00 0.00 C ATOM 709 CG2 VAL A 41 6.343 8.819 -4.954 1.00 0.00 C ATOM 0 H VAL A 41 6.219 5.316 -6.790 1.00 0.00 H new ATOM 0 HA VAL A 41 6.914 6.317 -4.237 1.00 0.00 H new ATOM 0 HB VAL A 41 7.117 7.472 -6.454 1.00 0.00 H new ATOM 0 HG11 VAL A 41 5.117 8.613 -7.373 1.00 0.00 H new ATOM 0 HG12 VAL A 41 4.930 6.843 -7.404 1.00 0.00 H new ATOM 0 HG13 VAL A 41 4.101 7.804 -6.156 1.00 0.00 H new ATOM 0 HG21 VAL A 41 6.433 9.705 -5.583 1.00 0.00 H new ATOM 0 HG22 VAL A 41 5.455 8.907 -4.328 1.00 0.00 H new ATOM 0 HG23 VAL A 41 7.226 8.732 -4.321 1.00 0.00 H new ATOM 719 N MET A 42 3.687 5.835 -4.748 1.00 0.00 N ATOM 720 CA MET A 42 2.399 5.796 -4.066 1.00 0.00 C ATOM 721 C MET A 42 2.476 4.841 -2.880 1.00 0.00 C ATOM 722 O MET A 42 2.048 5.181 -1.782 1.00 0.00 O ATOM 723 CB MET A 42 1.299 5.352 -5.038 1.00 0.00 C ATOM 724 CG MET A 42 1.061 6.429 -6.097 1.00 0.00 C ATOM 725 SD MET A 42 -0.178 5.963 -7.332 1.00 0.00 S ATOM 726 CE MET A 42 -0.019 7.379 -8.447 1.00 0.00 C ATOM 0 H MET A 42 3.670 5.468 -5.700 1.00 0.00 H new ATOM 0 HA MET A 42 2.156 6.794 -3.703 1.00 0.00 H new ATOM 0 HB2 MET A 42 1.585 4.416 -5.519 1.00 0.00 H new ATOM 0 HB3 MET A 42 0.376 5.160 -4.491 1.00 0.00 H new ATOM 0 HG2 MET A 42 0.744 7.348 -5.605 1.00 0.00 H new ATOM 0 HG3 MET A 42 2.002 6.646 -6.602 1.00 0.00 H new ATOM 0 HE1 MET A 42 -0.714 7.267 -9.279 1.00 0.00 H new ATOM 0 HE2 MET A 42 -0.248 8.297 -7.905 1.00 0.00 H new ATOM 0 HE3 MET A 42 1.000 7.428 -8.830 1.00 0.00 H new ATOM 736 N LEU A 43 3.025 3.643 -3.105 1.00 0.00 N ATOM 737 CA LEU A 43 3.159 2.642 -2.056 1.00 0.00 C ATOM 738 C LEU A 43 4.066 3.172 -0.945 1.00 0.00 C ATOM 739 O LEU A 43 3.725 3.084 0.234 1.00 0.00 O ATOM 740 CB LEU A 43 3.750 1.358 -2.647 1.00 0.00 C ATOM 741 CG LEU A 43 2.764 0.713 -3.632 1.00 0.00 C ATOM 742 CD1 LEU A 43 3.535 -0.154 -4.626 1.00 0.00 C ATOM 743 CD2 LEU A 43 1.769 -0.164 -2.869 1.00 0.00 C ATOM 0 H LEU A 43 3.384 3.347 -4.013 1.00 0.00 H new ATOM 0 HA LEU A 43 2.177 2.425 -1.636 1.00 0.00 H new ATOM 0 HB2 LEU A 43 4.687 1.583 -3.157 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.984 0.657 -1.846 1.00 0.00 H new ATOM 0 HG LEU A 43 2.224 1.496 -4.164 1.00 0.00 H new ATOM 0 HD11 LEU A 43 2.837 -0.613 -5.326 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.245 0.465 -5.174 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.074 -0.934 -4.087 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.072 -0.619 -3.572 1.00 0.00 H new ATOM 0 HD22 LEU A 43 2.308 -0.946 -2.335 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.217 0.448 -2.156 1.00 0.00 H new ATOM 755 N LYS A 44 5.223 3.718 -1.331 1.00 0.00 N ATOM 756 CA LYS A 44 6.198 4.237 -0.386 1.00 0.00 C ATOM 757 C LYS A 44 5.589 5.363 0.454 1.00 0.00 C ATOM 758 O LYS A 44 5.739 5.370 1.674 1.00 0.00 O ATOM 759 CB LYS A 44 7.425 4.727 -1.171 1.00 0.00 C ATOM 760 CG LYS A 44 8.597 5.030 -0.227 1.00 0.00 C ATOM 761 CD LYS A 44 9.112 3.738 0.421 1.00 0.00 C ATOM 762 CE LYS A 44 10.531 3.961 0.950 1.00 0.00 C ATOM 763 NZ LYS A 44 11.069 2.735 1.567 1.00 0.00 N ATOM 0 H LYS A 44 5.503 3.809 -2.307 1.00 0.00 H new ATOM 0 HA LYS A 44 6.503 3.451 0.305 1.00 0.00 H new ATOM 0 HB2 LYS A 44 7.724 3.970 -1.896 1.00 0.00 H new ATOM 0 HB3 LYS A 44 7.166 5.623 -1.735 1.00 0.00 H new ATOM 0 HG2 LYS A 44 9.402 5.512 -0.781 1.00 0.00 H new ATOM 0 HG3 LYS A 44 8.278 5.729 0.546 1.00 0.00 H new ATOM 0 HD2 LYS A 44 8.452 3.439 1.235 1.00 0.00 H new ATOM 0 HD3 LYS A 44 9.107 2.927 -0.307 1.00 0.00 H new ATOM 0 HE2 LYS A 44 11.181 4.276 0.134 1.00 0.00 H new ATOM 0 HE3 LYS A 44 10.526 4.768 1.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 12.108 2.748 1.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 10.772 2.688 2.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 10.708 1.903 1.058 1.00 0.00 H new ATOM 777 N ASP A 45 4.904 6.312 -0.196 1.00 0.00 N ATOM 778 CA ASP A 45 4.293 7.438 0.498 1.00 0.00 C ATOM 779 C ASP A 45 3.176 6.952 1.422 1.00 0.00 C ATOM 780 O ASP A 45 3.117 7.349 2.586 1.00 0.00 O ATOM 781 CB ASP A 45 3.744 8.432 -0.526 1.00 0.00 C ATOM 782 CG ASP A 45 3.026 9.582 0.170 1.00 0.00 C ATOM 783 OD1 ASP A 45 3.689 10.250 0.995 1.00 0.00 O ATOM 784 OD2 ASP A 45 1.829 9.772 -0.133 1.00 0.00 O ATOM 0 H ASP A 45 4.762 6.317 -1.206 1.00 0.00 H new ATOM 0 HA ASP A 45 5.048 7.934 1.108 1.00 0.00 H new ATOM 0 HB2 ASP A 45 4.560 8.822 -1.135 1.00 0.00 H new ATOM 0 HB3 ASP A 45 3.056 7.923 -1.202 1.00 0.00 H new ATOM 789 N ARG A 46 2.291 6.093 0.903 1.00 0.00 N ATOM 790 CA ARG A 46 1.178 5.568 1.680 1.00 0.00 C ATOM 791 C ARG A 46 1.703 4.869 2.935 1.00 0.00 C ATOM 792 O ARG A 46 1.185 5.082 4.027 1.00 0.00 O ATOM 793 CB ARG A 46 0.361 4.605 0.807 1.00 0.00 C ATOM 794 CG ARG A 46 -0.866 4.089 1.574 1.00 0.00 C ATOM 795 CD ARG A 46 -1.928 5.186 1.678 1.00 0.00 C ATOM 796 NE ARG A 46 -3.116 4.697 2.389 1.00 0.00 N ATOM 797 CZ ARG A 46 -4.276 5.373 2.427 1.00 0.00 C ATOM 798 NH1 ARG A 46 -4.399 6.542 1.782 1.00 0.00 N ATOM 799 NH2 ARG A 46 -5.309 4.876 3.113 1.00 0.00 N ATOM 0 H ARG A 46 2.330 5.750 -0.057 1.00 0.00 H new ATOM 0 HA ARG A 46 0.529 6.384 1.998 1.00 0.00 H new ATOM 0 HB2 ARG A 46 0.041 5.113 -0.103 1.00 0.00 H new ATOM 0 HB3 ARG A 46 0.985 3.765 0.501 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -1.281 3.219 1.066 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -0.570 3.765 2.572 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -1.516 6.049 2.201 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -2.209 5.522 0.680 1.00 0.00 H new ATOM 0 HE ARG A 46 -3.058 3.803 2.876 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -3.610 6.922 1.259 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -5.282 7.052 1.814 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -5.214 3.987 3.605 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -6.192 5.385 3.145 1.00 0.00 H new ATOM 813 N TRP A 47 2.734 4.037 2.781 1.00 0.00 N ATOM 814 CA TRP A 47 3.314 3.328 3.907 1.00 0.00 C ATOM 815 C TRP A 47 4.002 4.317 4.855 1.00 0.00 C ATOM 816 O TRP A 47 3.925 4.164 6.072 1.00 0.00 O ATOM 817 CB TRP A 47 4.307 2.286 3.394 1.00 0.00 C ATOM 818 CG TRP A 47 5.049 1.560 4.470 1.00 0.00 C ATOM 819 CD1 TRP A 47 6.383 1.465 4.567 1.00 0.00 C ATOM 820 CD2 TRP A 47 4.525 0.825 5.621 1.00 0.00 C ATOM 821 NE1 TRP A 47 6.748 0.740 5.674 1.00 0.00 N ATOM 822 CE2 TRP A 47 5.632 0.315 6.372 1.00 0.00 C ATOM 823 CE3 TRP A 47 3.229 0.533 6.116 1.00 0.00 C ATOM 824 CZ2 TRP A 47 5.465 -0.436 7.539 1.00 0.00 C ATOM 825 CZ3 TRP A 47 3.058 -0.223 7.296 1.00 0.00 C ATOM 826 CH2 TRP A 47 4.173 -0.707 8.003 1.00 0.00 C ATOM 0 H TRP A 47 3.180 3.842 1.885 1.00 0.00 H new ATOM 0 HA TRP A 47 2.526 2.819 4.463 1.00 0.00 H new ATOM 0 HB2 TRP A 47 3.770 1.559 2.785 1.00 0.00 H new ATOM 0 HB3 TRP A 47 5.027 2.779 2.741 1.00 0.00 H new ATOM 0 HD1 TRP A 47 7.079 1.902 3.866 1.00 0.00 H new ATOM 0 HE1 TRP A 47 7.711 0.542 5.945 1.00 0.00 H new ATOM 0 HE3 TRP A 47 2.361 0.894 5.584 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 6.326 -0.804 8.078 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 2.062 -0.431 7.659 1.00 0.00 H new ATOM 0 HH2 TRP A 47 4.032 -1.287 8.903 1.00 0.00 H new ATOM 837 N ARG A 48 4.677 5.328 4.296 1.00 0.00 N ATOM 838 CA ARG A 48 5.382 6.326 5.085 1.00 0.00 C ATOM 839 C ARG A 48 4.417 7.031 6.046 1.00 0.00 C ATOM 840 O ARG A 48 4.692 7.113 7.243 1.00 0.00 O ATOM 841 CB ARG A 48 6.057 7.329 4.138 1.00 0.00 C ATOM 842 CG ARG A 48 6.574 8.539 4.920 1.00 0.00 C ATOM 843 CD ARG A 48 7.410 9.428 3.993 1.00 0.00 C ATOM 844 NE ARG A 48 7.235 10.849 4.324 1.00 0.00 N ATOM 845 CZ ARG A 48 6.192 11.585 3.890 1.00 0.00 C ATOM 846 NH1 ARG A 48 5.232 11.023 3.144 1.00 0.00 N ATOM 847 NH2 ARG A 48 6.118 12.884 4.205 1.00 0.00 N ATOM 0 H ARG A 48 4.746 5.471 3.288 1.00 0.00 H new ATOM 0 HA ARG A 48 6.148 5.841 5.690 1.00 0.00 H new ATOM 0 HB2 ARG A 48 6.883 6.846 3.616 1.00 0.00 H new ATOM 0 HB3 ARG A 48 5.347 7.656 3.378 1.00 0.00 H new ATOM 0 HG2 ARG A 48 5.737 9.106 5.328 1.00 0.00 H new ATOM 0 HG3 ARG A 48 7.177 8.208 5.765 1.00 0.00 H new ATOM 0 HD2 ARG A 48 8.463 9.159 4.078 1.00 0.00 H new ATOM 0 HD3 ARG A 48 7.119 9.254 2.957 1.00 0.00 H new ATOM 0 HE ARG A 48 7.937 11.301 4.911 1.00 0.00 H new ATOM 0 HH11 ARG A 48 5.288 10.034 2.902 1.00 0.00 H new ATOM 0 HH12 ARG A 48 4.445 11.584 2.818 1.00 0.00 H new ATOM 0 HH21 ARG A 48 6.849 13.314 4.772 1.00 0.00 H new ATOM 0 HH22 ARG A 48 5.330 13.444 3.878 1.00 0.00 H new ATOM 861 N THR A 49 3.293 7.545 5.529 1.00 0.00 N ATOM 862 CA THR A 49 2.332 8.261 6.363 1.00 0.00 C ATOM 863 C THR A 49 1.644 7.303 7.351 1.00 0.00 C ATOM 864 O THR A 49 1.127 7.747 8.371 1.00 0.00 O ATOM 865 CB THR A 49 1.310 9.003 5.478 1.00 0.00 C ATOM 866 OG1 THR A 49 0.488 9.816 6.288 1.00 0.00 O ATOM 867 CG2 THR A 49 0.435 8.017 4.706 1.00 0.00 C ATOM 0 H THR A 49 3.033 7.477 4.545 1.00 0.00 H new ATOM 0 HA THR A 49 2.864 9.005 6.955 1.00 0.00 H new ATOM 0 HB THR A 49 1.858 9.616 4.763 1.00 0.00 H new ATOM 0 HG1 THR A 49 -0.160 10.289 5.726 1.00 0.00 H new ATOM 0 HG21 THR A 49 -0.277 8.567 4.090 1.00 0.00 H new ATOM 0 HG22 THR A 49 1.063 7.396 4.068 1.00 0.00 H new ATOM 0 HG23 THR A 49 -0.107 7.384 5.409 1.00 0.00 H new ATOM 875 N MET A 50 1.644 5.993 7.055 1.00 0.00 N ATOM 876 CA MET A 50 1.025 5.004 7.934 1.00 0.00 C ATOM 877 C MET A 50 1.967 4.645 9.086 1.00 0.00 C ATOM 878 O MET A 50 1.510 4.400 10.201 1.00 0.00 O ATOM 879 CB MET A 50 0.666 3.752 7.129 1.00 0.00 C ATOM 880 CG MET A 50 -0.621 3.998 6.338 1.00 0.00 C ATOM 881 SD MET A 50 -0.967 2.738 5.083 1.00 0.00 S ATOM 882 CE MET A 50 -1.159 1.295 6.154 1.00 0.00 C ATOM 0 H MET A 50 2.067 5.601 6.214 1.00 0.00 H new ATOM 0 HA MET A 50 0.115 5.428 8.358 1.00 0.00 H new ATOM 0 HB2 MET A 50 1.480 3.500 6.449 1.00 0.00 H new ATOM 0 HB3 MET A 50 0.536 2.902 7.799 1.00 0.00 H new ATOM 0 HG2 MET A 50 -1.459 4.044 7.033 1.00 0.00 H new ATOM 0 HG3 MET A 50 -0.556 4.972 5.852 1.00 0.00 H new ATOM 0 HE1 MET A 50 -1.533 0.455 5.569 1.00 0.00 H new ATOM 0 HE2 MET A 50 -0.194 1.033 6.588 1.00 0.00 H new ATOM 0 HE3 MET A 50 -1.865 1.525 6.952 1.00 0.00 H new ATOM 892 N LYS A 51 3.281 4.607 8.822 1.00 0.00 N ATOM 893 CA LYS A 51 4.265 4.259 9.844 1.00 0.00 C ATOM 894 C LYS A 51 4.177 5.217 11.035 1.00 0.00 C ATOM 895 O LYS A 51 4.349 4.793 12.175 1.00 0.00 O ATOM 896 CB LYS A 51 5.675 4.285 9.240 1.00 0.00 C ATOM 897 CG LYS A 51 5.978 2.938 8.576 1.00 0.00 C ATOM 898 CD LYS A 51 7.468 2.849 8.222 1.00 0.00 C ATOM 899 CE LYS A 51 7.785 3.766 7.037 1.00 0.00 C ATOM 900 NZ LYS A 51 9.132 3.493 6.505 1.00 0.00 N ATOM 0 H LYS A 51 3.682 4.814 7.907 1.00 0.00 H new ATOM 0 HA LYS A 51 4.050 3.253 10.204 1.00 0.00 H new ATOM 0 HB2 LYS A 51 5.752 5.088 8.507 1.00 0.00 H new ATOM 0 HB3 LYS A 51 6.410 4.491 10.018 1.00 0.00 H new ATOM 0 HG2 LYS A 51 5.706 2.123 9.247 1.00 0.00 H new ATOM 0 HG3 LYS A 51 5.375 2.824 7.675 1.00 0.00 H new ATOM 0 HD2 LYS A 51 8.072 3.134 9.084 1.00 0.00 H new ATOM 0 HD3 LYS A 51 7.730 1.820 7.975 1.00 0.00 H new ATOM 0 HE2 LYS A 51 7.043 3.621 6.251 1.00 0.00 H new ATOM 0 HE3 LYS A 51 7.718 4.808 7.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 9.197 3.842 5.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 9.842 3.975 7.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 9.310 2.468 6.519 1.00 0.00 H new ATOM 914 N LYS A 52 3.910 6.504 10.775 1.00 0.00 N ATOM 915 CA LYS A 52 3.815 7.501 11.839 1.00 0.00 C ATOM 916 C LYS A 52 2.427 7.477 12.498 1.00 0.00 C ATOM 917 O LYS A 52 2.104 8.381 13.266 1.00 0.00 O ATOM 918 CB LYS A 52 4.111 8.893 11.261 1.00 0.00 C ATOM 919 CG LYS A 52 3.052 9.269 10.209 1.00 0.00 C ATOM 920 CD LYS A 52 2.741 10.772 10.277 1.00 0.00 C ATOM 921 CE LYS A 52 1.846 11.091 11.490 1.00 0.00 C ATOM 922 NZ LYS A 52 0.511 10.470 11.363 1.00 0.00 N ATOM 0 H LYS A 52 3.757 6.874 9.837 1.00 0.00 H new ATOM 0 HA LYS A 52 4.550 7.264 12.608 1.00 0.00 H new ATOM 0 HB2 LYS A 52 4.118 9.633 12.061 1.00 0.00 H new ATOM 0 HB3 LYS A 52 5.103 8.904 10.809 1.00 0.00 H new ATOM 0 HG2 LYS A 52 3.411 9.010 9.213 1.00 0.00 H new ATOM 0 HG3 LYS A 52 2.141 8.694 10.379 1.00 0.00 H new ATOM 0 HD2 LYS A 52 3.670 11.337 10.346 1.00 0.00 H new ATOM 0 HD3 LYS A 52 2.244 11.087 9.360 1.00 0.00 H new ATOM 0 HE2 LYS A 52 2.328 10.735 12.401 1.00 0.00 H new ATOM 0 HE3 LYS A 52 1.737 12.171 11.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -0.069 10.721 12.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 0.048 10.815 10.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 0.612 9.436 11.312 1.00 0.00 H new ATOM 936 N LEU A 53 1.610 6.454 12.192 1.00 0.00 N ATOM 937 CA LEU A 53 0.259 6.335 12.730 1.00 0.00 C ATOM 938 C LEU A 53 -0.532 7.608 12.410 1.00 0.00 C ATOM 939 O LEU A 53 -0.930 8.288 13.380 1.00 0.00 O ATOM 940 CB LEU A 53 0.309 6.068 14.245 1.00 0.00 C ATOM 941 CG LEU A 53 1.040 4.742 14.524 1.00 0.00 C ATOM 942 CD1 LEU A 53 2.420 5.026 15.123 1.00 0.00 C ATOM 943 CD2 LEU A 53 0.223 3.904 15.512 1.00 0.00 C ATOM 944 OXT LEU A 53 -0.467 8.016 11.229 1.00 0.00 O ATOM 0 H LEU A 53 1.874 5.693 11.566 1.00 0.00 H new ATOM 0 HA LEU A 53 -0.247 5.489 12.264 1.00 0.00 H new ATOM 0 HB2 LEU A 53 0.820 6.888 14.750 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.703 6.027 14.649 1.00 0.00 H new ATOM 0 HG LEU A 53 1.157 4.195 13.588 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.933 4.084 15.318 1.00 0.00 H new ATOM 0 HD12 LEU A 53 3.006 5.619 14.421 1.00 0.00 H new ATOM 0 HD13 LEU A 53 2.305 5.577 16.056 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.741 2.966 15.709 1.00 0.00 H new ATOM 0 HD22 LEU A 53 0.104 4.455 16.445 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.758 3.694 15.087 1.00 0.00 H new TER 956 LEU A 53