USER MOD reduce.3.24.130724 H: found=0, std=0, add=472, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 470 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 23 ASN : amide:sc= -0.602 K(o=-10,f=-3.7) USER MOD Set 1.2: A 26 GLN : amide:sc= -5.21! K(o=-10!,f=-3.7) USER MOD Set 1.3: A 55 GLN : amide:sc= -4.45! K(o=-10!,f=-3.7) USER MOD Set 2.1: A 21 ASN : amide:sc= -1.24 K(o=-2,f=-6.9!) USER MOD Set 2.2: A 52 ASN : amide:sc= -0.751 K(o=-2,f=-0.72) USER MOD Set 3.1: A 39 SER OG : rot -83:sc= -0.157 USER MOD Set 3.2: A 40 GLN : amide:sc= -1.42 X(o=-1.6,f=-2.1) USER MOD Single : A 1 VAL N :NH3+ -142:sc= -0.0749 (180deg=-0.665) USER MOD Single : A 3 ASN : amide:sc= -0.0275 X(o=-0.028,f=-0.29) USER MOD Single : A 4 LYS NZ :NH3+ -107:sc= 0.577 (180deg=-1.5!) USER MOD Single : A 6 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 MET CE :methyl -115:sc= -1.14 (180deg=-9.46!) USER MOD Single : A 11 ASN : amide:sc= 0.493 X(o=0.49,f=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc=-0.00757 X(o=-0.0076,f=0) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ -158:sc= 1.39 (180deg=0.985) USER MOD Single : A 33 SER OG : rot 170:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot -93:sc= 0.89 USER MOD Single : A 43 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 49 LYS NZ :NH3+ -159:sc= -0.169 (180deg=-0.878) USER MOD Single : A 50 LYS NZ :NH3+ 139:sc= 0.675 (180deg=0.0486) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 0.535 -5.994 -19.516 1.00 0.00 N ATOM 2 CA VAL A 1 1.792 -5.934 -18.713 1.00 0.00 C ATOM 3 C VAL A 1 2.203 -7.356 -18.321 1.00 0.00 C ATOM 4 O VAL A 1 1.370 -8.267 -18.291 1.00 0.00 O ATOM 5 CB VAL A 1 1.558 -5.074 -17.453 1.00 0.00 C ATOM 6 CG1 VAL A 1 2.859 -4.959 -16.640 1.00 0.00 C ATOM 7 CG2 VAL A 1 1.091 -3.665 -17.863 1.00 0.00 C ATOM 0 H1 VAL A 1 0.574 -5.284 -20.275 1.00 0.00 H new ATOM 0 H2 VAL A 1 0.435 -6.941 -19.933 1.00 0.00 H new ATOM 0 H3 VAL A 1 -0.280 -5.799 -18.900 1.00 0.00 H new ATOM 0 HA VAL A 1 2.590 -5.481 -19.301 1.00 0.00 H new ATOM 0 HB VAL A 1 0.792 -5.551 -16.842 1.00 0.00 H new ATOM 0 HG11 VAL A 1 2.681 -4.350 -15.754 1.00 0.00 H new ATOM 0 HG12 VAL A 1 3.188 -5.953 -16.337 1.00 0.00 H new ATOM 0 HG13 VAL A 1 3.631 -4.492 -17.252 1.00 0.00 H new ATOM 0 HG21 VAL A 1 0.927 -3.062 -16.970 1.00 0.00 H new ATOM 0 HG22 VAL A 1 1.854 -3.195 -18.483 1.00 0.00 H new ATOM 0 HG23 VAL A 1 0.161 -3.740 -18.426 1.00 0.00 H new ATOM 17 N ASP A 2 3.493 -7.532 -18.027 1.00 0.00 N ATOM 18 CA ASP A 2 4.024 -8.840 -17.641 1.00 0.00 C ATOM 19 C ASP A 2 3.373 -9.338 -16.346 1.00 0.00 C ATOM 20 O ASP A 2 3.047 -8.543 -15.459 1.00 0.00 O ATOM 21 CB ASP A 2 5.539 -8.754 -17.455 1.00 0.00 C ATOM 22 CG ASP A 2 6.104 -10.158 -17.277 1.00 0.00 C ATOM 23 OD1 ASP A 2 6.051 -10.656 -16.168 1.00 0.00 O ATOM 24 OD2 ASP A 2 6.558 -10.724 -18.258 1.00 0.00 O ATOM 0 H ASP A 2 4.188 -6.786 -18.049 1.00 0.00 H new ATOM 0 HA ASP A 2 3.794 -9.548 -18.437 1.00 0.00 H new ATOM 0 HB2 ASP A 2 5.996 -8.272 -18.319 1.00 0.00 H new ATOM 0 HB3 ASP A 2 5.776 -8.141 -16.585 1.00 0.00 H new ATOM 29 N ASN A 3 3.178 -10.659 -16.262 1.00 0.00 N ATOM 30 CA ASN A 3 2.551 -11.296 -15.093 1.00 0.00 C ATOM 31 C ASN A 3 3.231 -10.894 -13.776 1.00 0.00 C ATOM 32 O ASN A 3 2.602 -10.946 -12.714 1.00 0.00 O ATOM 33 CB ASN A 3 2.600 -12.826 -15.243 1.00 0.00 C ATOM 34 CG ASN A 3 1.826 -13.273 -16.487 1.00 0.00 C ATOM 35 OD1 ASN A 3 0.717 -12.798 -16.740 1.00 0.00 O ATOM 36 ND2 ASN A 3 2.347 -14.167 -17.281 1.00 0.00 N ATOM 0 H ASN A 3 3.447 -11.315 -16.996 1.00 0.00 H new ATOM 0 HA ASN A 3 1.518 -10.952 -15.054 1.00 0.00 H new ATOM 0 HB2 ASN A 3 3.636 -13.156 -15.315 1.00 0.00 H new ATOM 0 HB3 ASN A 3 2.176 -13.297 -14.356 1.00 0.00 H new ATOM 0 HD21 ASN A 3 1.837 -14.472 -18.110 1.00 0.00 H new ATOM 0 HD22 ASN A 3 3.265 -14.561 -17.073 1.00 0.00 H new ATOM 43 N LYS A 4 4.513 -10.511 -13.853 1.00 0.00 N ATOM 44 CA LYS A 4 5.290 -10.116 -12.667 1.00 0.00 C ATOM 45 C LYS A 4 4.523 -9.111 -11.801 1.00 0.00 C ATOM 46 O LYS A 4 4.565 -9.188 -10.569 1.00 0.00 O ATOM 47 CB LYS A 4 6.618 -9.480 -13.112 1.00 0.00 C ATOM 48 CG LYS A 4 7.522 -9.222 -11.892 1.00 0.00 C ATOM 49 CD LYS A 4 8.762 -8.414 -12.318 1.00 0.00 C ATOM 50 CE LYS A 4 8.461 -6.906 -12.248 1.00 0.00 C ATOM 51 NZ LYS A 4 8.780 -6.400 -10.881 1.00 0.00 N ATOM 0 H LYS A 4 5.037 -10.466 -14.727 1.00 0.00 H new ATOM 0 HA LYS A 4 5.475 -11.012 -12.074 1.00 0.00 H new ATOM 0 HB2 LYS A 4 7.126 -10.138 -13.817 1.00 0.00 H new ATOM 0 HB3 LYS A 4 6.424 -8.543 -13.634 1.00 0.00 H new ATOM 0 HG2 LYS A 4 6.968 -8.678 -11.127 1.00 0.00 H new ATOM 0 HG3 LYS A 4 7.829 -10.170 -11.450 1.00 0.00 H new ATOM 0 HD2 LYS A 4 9.603 -8.655 -11.669 1.00 0.00 H new ATOM 0 HD3 LYS A 4 9.053 -8.688 -13.332 1.00 0.00 H new ATOM 0 HE2 LYS A 4 9.051 -6.371 -12.993 1.00 0.00 H new ATOM 0 HE3 LYS A 4 7.412 -6.722 -12.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 7.897 -6.207 -10.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 9.330 -7.116 -10.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 9.336 -5.524 -10.956 1.00 0.00 H new ATOM 65 N PHE A 5 3.827 -8.177 -12.454 1.00 0.00 N ATOM 66 CA PHE A 5 3.053 -7.158 -11.740 1.00 0.00 C ATOM 67 C PHE A 5 2.006 -7.803 -10.826 1.00 0.00 C ATOM 68 O PHE A 5 1.955 -7.514 -9.627 1.00 0.00 O ATOM 69 CB PHE A 5 2.363 -6.217 -12.752 1.00 0.00 C ATOM 70 CG PHE A 5 3.143 -4.918 -12.862 1.00 0.00 C ATOM 71 CD1 PHE A 5 4.396 -4.899 -13.491 1.00 0.00 C ATOM 72 CD2 PHE A 5 2.616 -3.735 -12.324 1.00 0.00 C ATOM 73 CE1 PHE A 5 5.118 -3.701 -13.578 1.00 0.00 C ATOM 74 CE2 PHE A 5 3.337 -2.540 -12.412 1.00 0.00 C ATOM 75 CZ PHE A 5 4.589 -2.522 -13.038 1.00 0.00 C ATOM 0 H PHE A 5 3.783 -8.105 -13.471 1.00 0.00 H new ATOM 0 HA PHE A 5 3.738 -6.581 -11.119 1.00 0.00 H new ATOM 0 HB2 PHE A 5 2.302 -6.699 -13.728 1.00 0.00 H new ATOM 0 HB3 PHE A 5 1.341 -6.012 -12.434 1.00 0.00 H new ATOM 0 HD1 PHE A 5 4.805 -5.807 -13.908 1.00 0.00 H new ATOM 0 HD2 PHE A 5 1.650 -3.747 -11.840 1.00 0.00 H new ATOM 0 HE1 PHE A 5 6.083 -3.687 -14.062 1.00 0.00 H new ATOM 0 HE2 PHE A 5 2.928 -1.631 -11.997 1.00 0.00 H new ATOM 0 HZ PHE A 5 5.147 -1.599 -13.104 1.00 0.00 H new ATOM 85 N ASN A 6 1.173 -8.671 -11.401 1.00 0.00 N ATOM 86 CA ASN A 6 0.121 -9.346 -10.636 1.00 0.00 C ATOM 87 C ASN A 6 0.702 -10.227 -9.524 1.00 0.00 C ATOM 88 O ASN A 6 0.178 -10.249 -8.406 1.00 0.00 O ATOM 89 CB ASN A 6 -0.734 -10.211 -11.575 1.00 0.00 C ATOM 90 CG ASN A 6 -1.411 -9.342 -12.637 1.00 0.00 C ATOM 91 OD1 ASN A 6 -1.236 -9.571 -13.833 1.00 0.00 O ATOM 92 ND2 ASN A 6 -2.183 -8.357 -12.268 1.00 0.00 N ATOM 0 H ASN A 6 1.205 -8.923 -12.389 1.00 0.00 H new ATOM 0 HA ASN A 6 -0.494 -8.575 -10.172 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -0.109 -10.963 -12.057 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -1.489 -10.746 -10.999 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -2.641 -7.777 -12.971 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -2.328 -8.167 -11.276 1.00 0.00 H new ATOM 99 N LYS A 7 1.770 -10.965 -9.842 1.00 0.00 N ATOM 100 CA LYS A 7 2.398 -11.868 -8.869 1.00 0.00 C ATOM 101 C LYS A 7 2.934 -11.121 -7.641 1.00 0.00 C ATOM 102 O LYS A 7 2.773 -11.592 -6.511 1.00 0.00 O ATOM 103 CB LYS A 7 3.548 -12.647 -9.533 1.00 0.00 C ATOM 104 CG LYS A 7 3.020 -13.532 -10.680 1.00 0.00 C ATOM 105 CD LYS A 7 2.161 -14.679 -10.120 1.00 0.00 C ATOM 106 CE LYS A 7 1.849 -15.685 -11.235 1.00 0.00 C ATOM 107 NZ LYS A 7 1.022 -16.798 -10.683 1.00 0.00 N ATOM 0 H LYS A 7 2.216 -10.956 -10.759 1.00 0.00 H new ATOM 0 HA LYS A 7 1.625 -12.557 -8.530 1.00 0.00 H new ATOM 0 HB2 LYS A 7 4.291 -11.949 -9.919 1.00 0.00 H new ATOM 0 HB3 LYS A 7 4.049 -13.268 -8.790 1.00 0.00 H new ATOM 0 HG2 LYS A 7 2.429 -12.930 -11.370 1.00 0.00 H new ATOM 0 HG3 LYS A 7 3.856 -13.939 -11.248 1.00 0.00 H new ATOM 0 HD2 LYS A 7 2.688 -15.176 -9.306 1.00 0.00 H new ATOM 0 HD3 LYS A 7 1.234 -14.283 -9.705 1.00 0.00 H new ATOM 0 HE2 LYS A 7 1.317 -15.190 -12.047 1.00 0.00 H new ATOM 0 HE3 LYS A 7 2.775 -16.079 -11.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 0.810 -17.481 -11.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 1.546 -17.275 -9.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 0.133 -16.415 -10.303 1.00 0.00 H new ATOM 121 N GLU A 8 3.592 -9.979 -7.865 1.00 0.00 N ATOM 122 CA GLU A 8 4.173 -9.203 -6.760 1.00 0.00 C ATOM 123 C GLU A 8 3.102 -8.518 -5.901 1.00 0.00 C ATOM 124 O GLU A 8 3.124 -8.635 -4.672 1.00 0.00 O ATOM 125 CB GLU A 8 5.141 -8.150 -7.317 1.00 0.00 C ATOM 126 CG GLU A 8 6.388 -8.846 -7.905 1.00 0.00 C ATOM 127 CD GLU A 8 7.408 -7.830 -8.457 1.00 0.00 C ATOM 128 OE1 GLU A 8 7.051 -6.677 -8.662 1.00 0.00 O ATOM 129 OE2 GLU A 8 8.542 -8.230 -8.675 1.00 0.00 O ATOM 0 H GLU A 8 3.736 -9.573 -8.790 1.00 0.00 H new ATOM 0 HA GLU A 8 4.708 -9.903 -6.118 1.00 0.00 H new ATOM 0 HB2 GLU A 8 4.646 -7.559 -8.087 1.00 0.00 H new ATOM 0 HB3 GLU A 8 5.437 -7.460 -6.527 1.00 0.00 H new ATOM 0 HG2 GLU A 8 6.862 -9.453 -7.134 1.00 0.00 H new ATOM 0 HG3 GLU A 8 6.083 -9.524 -8.702 1.00 0.00 H new ATOM 136 N MET A 9 2.183 -7.795 -6.550 1.00 0.00 N ATOM 137 CA MET A 9 1.119 -7.075 -5.833 1.00 0.00 C ATOM 138 C MET A 9 0.228 -8.020 -5.028 1.00 0.00 C ATOM 139 O MET A 9 -0.348 -7.610 -4.021 1.00 0.00 O ATOM 140 CB MET A 9 0.269 -6.254 -6.818 1.00 0.00 C ATOM 141 CG MET A 9 0.721 -4.786 -6.794 1.00 0.00 C ATOM 142 SD MET A 9 0.257 -3.983 -8.347 1.00 0.00 S ATOM 143 CE MET A 9 1.665 -4.552 -9.335 1.00 0.00 C ATOM 0 H MET A 9 2.152 -7.692 -7.564 1.00 0.00 H new ATOM 0 HA MET A 9 1.604 -6.400 -5.127 1.00 0.00 H new ATOM 0 HB2 MET A 9 0.369 -6.659 -7.825 1.00 0.00 H new ATOM 0 HB3 MET A 9 -0.785 -6.324 -6.550 1.00 0.00 H new ATOM 0 HG2 MET A 9 0.261 -4.267 -5.953 1.00 0.00 H new ATOM 0 HG3 MET A 9 1.800 -4.729 -6.652 1.00 0.00 H new ATOM 0 HE1 MET A 9 2.272 -3.696 -9.630 1.00 0.00 H new ATOM 0 HE2 MET A 9 2.270 -5.239 -8.744 1.00 0.00 H new ATOM 0 HE3 MET A 9 1.301 -5.063 -10.226 1.00 0.00 H new ATOM 153 N ARG A 10 0.118 -9.279 -5.463 1.00 0.00 N ATOM 154 CA ARG A 10 -0.708 -10.258 -4.745 1.00 0.00 C ATOM 155 C ARG A 10 -0.285 -10.324 -3.271 1.00 0.00 C ATOM 156 O ARG A 10 -1.120 -10.505 -2.381 1.00 0.00 O ATOM 157 CB ARG A 10 -0.563 -11.644 -5.396 1.00 0.00 C ATOM 158 CG ARG A 10 -1.527 -12.645 -4.738 1.00 0.00 C ATOM 159 CD ARG A 10 -1.375 -14.022 -5.398 1.00 0.00 C ATOM 160 NE ARG A 10 -2.361 -14.958 -4.850 1.00 0.00 N ATOM 161 CZ ARG A 10 -2.441 -16.227 -5.262 1.00 0.00 C ATOM 162 NH1 ARG A 10 -1.632 -16.683 -6.179 1.00 0.00 N ATOM 163 NH2 ARG A 10 -3.336 -17.017 -4.742 1.00 0.00 N ATOM 0 H ARG A 10 0.582 -9.642 -6.296 1.00 0.00 H new ATOM 0 HA ARG A 10 -1.751 -9.948 -4.799 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -0.772 -11.576 -6.464 1.00 0.00 H new ATOM 0 HB3 ARG A 10 0.464 -11.996 -5.294 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -1.318 -12.718 -3.671 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -2.554 -12.295 -4.838 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -1.507 -13.933 -6.476 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -0.368 -14.404 -5.231 1.00 0.00 H new ATOM 0 HE ARG A 10 -3.007 -14.631 -4.131 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -0.929 -16.069 -6.590 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -1.703 -17.653 -6.485 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -3.971 -16.666 -4.025 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -3.402 -17.986 -5.052 1.00 0.00 H new ATOM 177 N ASN A 11 1.023 -10.165 -3.036 1.00 0.00 N ATOM 178 CA ASN A 11 1.583 -10.194 -1.682 1.00 0.00 C ATOM 179 C ASN A 11 1.149 -8.972 -0.861 1.00 0.00 C ATOM 180 O ASN A 11 1.012 -9.066 0.361 1.00 0.00 O ATOM 181 CB ASN A 11 3.114 -10.234 -1.751 1.00 0.00 C ATOM 182 CG ASN A 11 3.576 -11.468 -2.524 1.00 0.00 C ATOM 183 OD1 ASN A 11 3.605 -12.571 -1.979 1.00 0.00 O ATOM 184 ND2 ASN A 11 3.934 -11.347 -3.773 1.00 0.00 N ATOM 0 H ASN A 11 1.715 -10.014 -3.770 1.00 0.00 H new ATOM 0 HA ASN A 11 1.204 -11.090 -1.190 1.00 0.00 H new ATOM 0 HB2 ASN A 11 3.487 -9.332 -2.236 1.00 0.00 H new ATOM 0 HB3 ASN A 11 3.530 -10.250 -0.744 1.00 0.00 H new ATOM 0 HD21 ASN A 11 4.238 -12.167 -4.298 1.00 0.00 H new ATOM 0 HD22 ASN A 11 3.910 -10.433 -4.224 1.00 0.00 H new ATOM 191 N ALA A 12 0.960 -7.824 -1.534 1.00 0.00 N ATOM 192 CA ALA A 12 0.569 -6.582 -0.851 1.00 0.00 C ATOM 193 C ALA A 12 -0.273 -5.687 -1.765 1.00 0.00 C ATOM 194 O ALA A 12 0.215 -5.218 -2.797 1.00 0.00 O ATOM 195 CB ALA A 12 1.831 -5.816 -0.427 1.00 0.00 C ATOM 0 H ALA A 12 1.071 -7.732 -2.544 1.00 0.00 H new ATOM 0 HA ALA A 12 -0.028 -6.847 0.021 1.00 0.00 H new ATOM 0 HB1 ALA A 12 1.544 -4.895 0.080 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.421 -6.434 0.250 1.00 0.00 H new ATOM 0 HB3 ALA A 12 2.424 -5.575 -1.309 1.00 0.00 H new ATOM 201 N TYR A 13 -1.532 -5.440 -1.372 1.00 0.00 N ATOM 202 CA TYR A 13 -2.423 -4.583 -2.159 1.00 0.00 C ATOM 203 C TYR A 13 -3.605 -4.092 -1.305 1.00 0.00 C ATOM 204 O TYR A 13 -3.570 -2.970 -0.790 1.00 0.00 O ATOM 205 CB TYR A 13 -2.917 -5.335 -3.409 1.00 0.00 C ATOM 206 CG TYR A 13 -3.675 -4.381 -4.314 1.00 0.00 C ATOM 207 CD1 TYR A 13 -2.973 -3.553 -5.203 1.00 0.00 C ATOM 208 CD2 TYR A 13 -5.074 -4.324 -4.269 1.00 0.00 C ATOM 209 CE1 TYR A 13 -3.669 -2.674 -6.041 1.00 0.00 C ATOM 210 CE2 TYR A 13 -5.769 -3.444 -5.108 1.00 0.00 C ATOM 211 CZ TYR A 13 -5.066 -2.619 -5.993 1.00 0.00 C ATOM 212 OH TYR A 13 -5.752 -1.752 -6.819 1.00 0.00 O ATOM 0 H TYR A 13 -1.950 -5.819 -0.522 1.00 0.00 H new ATOM 0 HA TYR A 13 -1.864 -3.706 -2.485 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -2.071 -5.765 -3.945 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -3.562 -6.163 -3.116 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -1.894 -3.594 -5.241 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -5.618 -4.960 -3.586 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -3.127 -2.038 -6.725 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -6.848 -3.402 -5.072 1.00 0.00 H new ATOM 0 HH TYR A 13 -6.715 -1.841 -6.659 1.00 0.00 H new ATOM 222 N TRP A 14 -4.643 -4.931 -1.156 1.00 0.00 N ATOM 223 CA TRP A 14 -5.827 -4.562 -0.362 1.00 0.00 C ATOM 224 C TRP A 14 -5.450 -4.288 1.098 1.00 0.00 C ATOM 225 O TRP A 14 -6.120 -3.506 1.785 1.00 0.00 O ATOM 226 CB TRP A 14 -6.882 -5.678 -0.398 1.00 0.00 C ATOM 227 CG TRP A 14 -7.412 -5.861 -1.788 1.00 0.00 C ATOM 228 CD1 TRP A 14 -8.197 -4.976 -2.447 1.00 0.00 C ATOM 229 CD2 TRP A 14 -7.223 -6.990 -2.692 1.00 0.00 C ATOM 230 NE1 TRP A 14 -8.494 -5.486 -3.699 1.00 0.00 N ATOM 231 CE2 TRP A 14 -7.917 -6.725 -3.896 1.00 0.00 C ATOM 232 CE3 TRP A 14 -6.521 -8.204 -2.584 1.00 0.00 C ATOM 233 CZ2 TRP A 14 -7.915 -7.632 -4.957 1.00 0.00 C ATOM 234 CZ3 TRP A 14 -6.517 -9.120 -3.650 1.00 0.00 C ATOM 235 CH2 TRP A 14 -7.213 -8.834 -4.834 1.00 0.00 C ATOM 0 H TRP A 14 -4.687 -5.862 -1.571 1.00 0.00 H new ATOM 0 HA TRP A 14 -6.240 -3.655 -0.805 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -6.444 -6.611 -0.045 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -7.700 -5.434 0.279 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -8.536 -4.027 -2.059 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -9.069 -5.006 -4.391 1.00 0.00 H new ATOM 0 HE3 TRP A 14 -5.982 -8.434 -1.677 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -8.452 -7.406 -5.866 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 -5.975 -10.049 -3.557 1.00 0.00 H new ATOM 0 HH2 TRP A 14 -7.206 -9.542 -5.650 1.00 0.00 H new ATOM 246 N GLU A 15 -4.379 -4.946 1.565 1.00 0.00 N ATOM 247 CA GLU A 15 -3.908 -4.791 2.948 1.00 0.00 C ATOM 248 C GLU A 15 -3.624 -3.320 3.272 1.00 0.00 C ATOM 249 O GLU A 15 -3.811 -2.883 4.406 1.00 0.00 O ATOM 250 CB GLU A 15 -2.632 -5.622 3.171 1.00 0.00 C ATOM 251 CG GLU A 15 -2.959 -7.133 3.121 1.00 0.00 C ATOM 252 CD GLU A 15 -3.175 -7.638 1.680 1.00 0.00 C ATOM 253 OE1 GLU A 15 -2.607 -7.068 0.758 1.00 0.00 O ATOM 254 OE2 GLU A 15 -3.911 -8.600 1.523 1.00 0.00 O ATOM 0 H GLU A 15 -3.822 -5.591 1.004 1.00 0.00 H new ATOM 0 HA GLU A 15 -4.695 -5.148 3.612 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.893 -5.378 2.408 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -2.190 -5.370 4.135 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -2.146 -7.694 3.582 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.855 -7.328 3.710 1.00 0.00 H new ATOM 261 N ILE A 16 -3.188 -2.570 2.260 1.00 0.00 N ATOM 262 CA ILE A 16 -2.897 -1.145 2.430 1.00 0.00 C ATOM 263 C ILE A 16 -4.189 -0.389 2.769 1.00 0.00 C ATOM 264 O ILE A 16 -4.199 0.491 3.634 1.00 0.00 O ATOM 265 CB ILE A 16 -2.274 -0.588 1.130 1.00 0.00 C ATOM 266 CG1 ILE A 16 -0.995 -1.380 0.789 1.00 0.00 C ATOM 267 CG2 ILE A 16 -1.916 0.900 1.296 1.00 0.00 C ATOM 268 CD1 ILE A 16 -0.490 -0.987 -0.604 1.00 0.00 C ATOM 0 H ILE A 16 -3.029 -2.923 1.316 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.189 -1.012 3.248 1.00 0.00 H new ATOM 0 HB ILE A 16 -3.002 -0.691 0.325 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -0.225 -1.180 1.534 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -1.200 -2.450 0.822 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -1.479 1.274 0.370 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -2.817 1.468 1.527 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -1.198 1.013 2.108 1.00 0.00 H new ATOM 0 HD11 ILE A 16 0.413 -1.551 -0.836 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -1.257 -1.210 -1.345 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -0.266 0.080 -0.622 1.00 0.00 H new ATOM 280 N ALA A 17 -5.271 -0.743 2.070 1.00 0.00 N ATOM 281 CA ALA A 17 -6.574 -0.107 2.283 1.00 0.00 C ATOM 282 C ALA A 17 -7.214 -0.570 3.596 1.00 0.00 C ATOM 283 O ALA A 17 -8.108 0.101 4.121 1.00 0.00 O ATOM 284 CB ALA A 17 -7.509 -0.437 1.113 1.00 0.00 C ATOM 0 H ALA A 17 -5.270 -1.467 1.351 1.00 0.00 H new ATOM 0 HA ALA A 17 -6.418 0.970 2.341 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -8.477 0.038 1.275 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -7.074 -0.067 0.184 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -7.641 -1.517 1.046 1.00 0.00 H new ATOM 290 N LEU A 18 -6.766 -1.729 4.101 1.00 0.00 N ATOM 291 CA LEU A 18 -7.313 -2.298 5.341 1.00 0.00 C ATOM 292 C LEU A 18 -7.246 -1.301 6.506 1.00 0.00 C ATOM 293 O LEU A 18 -8.175 -1.241 7.317 1.00 0.00 O ATOM 294 CB LEU A 18 -6.545 -3.579 5.712 1.00 0.00 C ATOM 295 CG LEU A 18 -7.226 -4.299 6.894 1.00 0.00 C ATOM 296 CD1 LEU A 18 -8.573 -4.892 6.449 1.00 0.00 C ATOM 297 CD2 LEU A 18 -6.314 -5.429 7.397 1.00 0.00 C ATOM 0 H LEU A 18 -6.029 -2.289 3.672 1.00 0.00 H new ATOM 0 HA LEU A 18 -8.362 -2.532 5.161 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -6.501 -4.245 4.850 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -5.517 -3.330 5.975 1.00 0.00 H new ATOM 0 HG LEU A 18 -7.401 -3.580 7.694 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -9.044 -5.398 7.292 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -9.224 -4.092 6.096 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -8.407 -5.607 5.643 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -6.794 -5.939 8.232 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -6.138 -6.141 6.590 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -5.363 -5.010 7.725 1.00 0.00 H new ATOM 309 N LEU A 19 -6.157 -0.522 6.586 1.00 0.00 N ATOM 310 CA LEU A 19 -6.011 0.461 7.667 1.00 0.00 C ATOM 311 C LEU A 19 -7.101 1.543 7.520 1.00 0.00 C ATOM 312 O LEU A 19 -7.183 2.194 6.475 1.00 0.00 O ATOM 313 CB LEU A 19 -4.618 1.122 7.619 1.00 0.00 C ATOM 314 CG LEU A 19 -3.450 0.097 7.750 1.00 0.00 C ATOM 315 CD1 LEU A 19 -3.810 -1.086 8.664 1.00 0.00 C ATOM 316 CD2 LEU A 19 -3.046 -0.434 6.368 1.00 0.00 C ATOM 0 H LEU A 19 -5.378 -0.552 5.928 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.119 -0.050 8.624 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.513 1.666 6.680 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -4.542 1.855 8.422 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.614 0.629 8.203 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.964 -1.771 8.722 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.047 -0.716 9.662 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -4.674 -1.611 8.257 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.230 -1.148 6.477 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.900 -0.927 5.904 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.721 0.396 5.740 1.00 0.00 H new ATOM 328 N PRO A 20 -7.950 1.726 8.524 1.00 0.00 N ATOM 329 CA PRO A 20 -9.072 2.722 8.481 1.00 0.00 C ATOM 330 C PRO A 20 -8.710 4.141 8.948 1.00 0.00 C ATOM 331 O PRO A 20 -9.530 5.052 8.802 1.00 0.00 O ATOM 332 CB PRO A 20 -10.083 2.096 9.440 1.00 0.00 C ATOM 333 CG PRO A 20 -9.242 1.471 10.505 1.00 0.00 C ATOM 334 CD PRO A 20 -7.950 1.006 9.819 1.00 0.00 C ATOM 0 HA PRO A 20 -9.414 2.882 7.459 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -10.756 2.847 9.854 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -10.703 1.355 8.936 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -9.025 2.186 11.298 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -9.761 0.631 10.967 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -7.071 1.255 10.414 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -7.942 -0.074 9.675 1.00 0.00 H new ATOM 342 N ASN A 21 -7.521 4.327 9.539 1.00 0.00 N ATOM 343 CA ASN A 21 -7.129 5.646 10.053 1.00 0.00 C ATOM 344 C ASN A 21 -6.209 6.412 9.100 1.00 0.00 C ATOM 345 O ASN A 21 -5.902 7.577 9.362 1.00 0.00 O ATOM 346 CB ASN A 21 -6.458 5.487 11.428 1.00 0.00 C ATOM 347 CG ASN A 21 -5.249 4.556 11.351 1.00 0.00 C ATOM 348 OD1 ASN A 21 -4.823 4.159 10.264 1.00 0.00 O ATOM 349 ND2 ASN A 21 -4.676 4.172 12.457 1.00 0.00 N ATOM 0 H ASN A 21 -6.825 3.594 9.671 1.00 0.00 H new ATOM 0 HA ASN A 21 -8.040 6.238 10.146 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -6.145 6.464 11.797 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -7.179 5.092 12.144 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -3.874 3.542 12.424 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -5.029 4.501 13.355 1.00 0.00 H new ATOM 356 N LEU A 22 -5.792 5.789 7.987 1.00 0.00 N ATOM 357 CA LEU A 22 -4.933 6.494 7.030 1.00 0.00 C ATOM 358 C LEU A 22 -5.754 7.548 6.303 1.00 0.00 C ATOM 359 O LEU A 22 -6.881 7.279 5.875 1.00 0.00 O ATOM 360 CB LEU A 22 -4.316 5.546 5.987 1.00 0.00 C ATOM 361 CG LEU A 22 -3.387 4.526 6.650 1.00 0.00 C ATOM 362 CD1 LEU A 22 -3.046 3.418 5.640 1.00 0.00 C ATOM 363 CD2 LEU A 22 -2.088 5.221 7.070 1.00 0.00 C ATOM 0 H LEU A 22 -6.027 4.829 7.734 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.119 6.948 7.595 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -5.109 5.025 5.450 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -3.759 6.124 5.250 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.882 4.099 7.522 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.384 2.690 6.109 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.963 2.923 5.320 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.549 3.855 4.774 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.424 4.497 7.543 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.600 5.641 6.191 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.315 6.020 7.776 1.00 0.00 H new ATOM 375 N ASN A 23 -5.186 8.747 6.173 1.00 0.00 N ATOM 376 CA ASN A 23 -5.882 9.853 5.494 1.00 0.00 C ATOM 377 C ASN A 23 -6.257 9.470 4.055 1.00 0.00 C ATOM 378 O ASN A 23 -5.700 8.528 3.481 1.00 0.00 O ATOM 379 CB ASN A 23 -5.012 11.118 5.474 1.00 0.00 C ATOM 380 CG ASN A 23 -4.659 11.558 6.896 1.00 0.00 C ATOM 381 OD1 ASN A 23 -5.517 11.569 7.781 1.00 0.00 O ATOM 382 ND2 ASN A 23 -3.438 11.927 7.169 1.00 0.00 N ATOM 0 H ASN A 23 -4.257 8.981 6.523 1.00 0.00 H new ATOM 0 HA ASN A 23 -6.794 10.056 6.055 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -4.099 10.928 4.910 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -5.542 11.921 4.961 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -3.194 12.224 8.114 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -2.727 11.918 6.438 1.00 0.00 H new ATOM 389 N ASN A 24 -7.218 10.209 3.495 1.00 0.00 N ATOM 390 CA ASN A 24 -7.706 9.958 2.131 1.00 0.00 C ATOM 391 C ASN A 24 -6.569 9.936 1.108 1.00 0.00 C ATOM 392 O ASN A 24 -6.446 8.991 0.323 1.00 0.00 O ATOM 393 CB ASN A 24 -8.706 11.055 1.743 1.00 0.00 C ATOM 394 CG ASN A 24 -10.003 10.898 2.534 1.00 0.00 C ATOM 395 OD1 ASN A 24 -10.417 11.816 3.241 1.00 0.00 O ATOM 396 ND2 ASN A 24 -10.676 9.783 2.454 1.00 0.00 N ATOM 0 H ASN A 24 -7.677 10.989 3.965 1.00 0.00 H new ATOM 0 HA ASN A 24 -8.182 8.978 2.124 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -8.272 12.036 1.935 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -8.916 11.003 0.675 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -11.545 9.673 2.977 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -10.334 9.022 1.868 1.00 0.00 H new ATOM 403 N GLN A 25 -5.749 10.982 1.128 1.00 0.00 N ATOM 404 CA GLN A 25 -4.622 11.092 0.201 1.00 0.00 C ATOM 405 C GLN A 25 -3.567 10.018 0.473 1.00 0.00 C ATOM 406 O GLN A 25 -2.937 9.518 -0.458 1.00 0.00 O ATOM 407 CB GLN A 25 -3.987 12.490 0.292 1.00 0.00 C ATOM 408 CG GLN A 25 -3.677 12.847 1.755 1.00 0.00 C ATOM 409 CD GLN A 25 -3.078 14.250 1.837 1.00 0.00 C ATOM 410 OE1 GLN A 25 -3.808 15.240 1.814 1.00 0.00 O ATOM 411 NE2 GLN A 25 -1.785 14.394 1.931 1.00 0.00 N ATOM 0 H GLN A 25 -5.841 11.766 1.774 1.00 0.00 H new ATOM 0 HA GLN A 25 -5.007 10.939 -0.807 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -3.071 12.519 -0.297 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -4.663 13.231 -0.134 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -4.588 12.797 2.351 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -2.981 12.121 2.175 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -1.180 13.573 1.950 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -1.378 15.328 1.986 1.00 0.00 H new ATOM 420 N GLN A 26 -3.373 9.677 1.749 1.00 0.00 N ATOM 421 CA GLN A 26 -2.380 8.668 2.126 1.00 0.00 C ATOM 422 C GLN A 26 -2.726 7.298 1.535 1.00 0.00 C ATOM 423 O GLN A 26 -1.847 6.609 1.007 1.00 0.00 O ATOM 424 CB GLN A 26 -2.290 8.570 3.655 1.00 0.00 C ATOM 425 CG GLN A 26 -1.651 9.852 4.218 1.00 0.00 C ATOM 426 CD GLN A 26 -1.558 9.801 5.748 1.00 0.00 C ATOM 427 OE1 GLN A 26 -0.801 10.567 6.342 1.00 0.00 O ATOM 428 NE2 GLN A 26 -2.298 8.967 6.429 1.00 0.00 N ATOM 0 H GLN A 26 -3.886 10.081 2.533 1.00 0.00 H new ATOM 0 HA GLN A 26 -1.415 8.976 1.723 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -3.284 8.430 4.080 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -1.697 7.701 3.939 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -0.655 9.981 3.795 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -2.240 10.718 3.916 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -2.928 8.329 5.942 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -2.246 8.954 7.448 1.00 0.00 H new ATOM 437 N LYS A 27 -4.004 6.909 1.626 1.00 0.00 N ATOM 438 CA LYS A 27 -4.443 5.613 1.093 1.00 0.00 C ATOM 439 C LYS A 27 -4.214 5.552 -0.415 1.00 0.00 C ATOM 440 O LYS A 27 -3.559 4.633 -0.918 1.00 0.00 O ATOM 441 CB LYS A 27 -5.934 5.398 1.384 1.00 0.00 C ATOM 442 CG LYS A 27 -6.158 5.222 2.893 1.00 0.00 C ATOM 443 CD LYS A 27 -7.664 5.112 3.181 1.00 0.00 C ATOM 444 CE LYS A 27 -8.177 3.700 2.839 1.00 0.00 C ATOM 445 NZ LYS A 27 -8.469 2.951 4.098 1.00 0.00 N ATOM 0 H LYS A 27 -4.743 7.464 2.057 1.00 0.00 H new ATOM 0 HA LYS A 27 -3.860 4.830 1.578 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -6.510 6.249 1.020 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -6.293 4.518 0.850 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -5.644 4.328 3.245 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -5.735 6.068 3.435 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -7.856 5.331 4.231 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -8.207 5.854 2.596 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -9.077 3.768 2.228 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -7.432 3.165 2.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -8.450 1.929 3.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -7.751 3.183 4.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -9.410 3.219 4.451 1.00 0.00 H new ATOM 459 N ARG A 28 -4.763 6.543 -1.119 1.00 0.00 N ATOM 460 CA ARG A 28 -4.631 6.623 -2.576 1.00 0.00 C ATOM 461 C ARG A 28 -3.162 6.733 -2.993 1.00 0.00 C ATOM 462 O ARG A 28 -2.775 6.232 -4.053 1.00 0.00 O ATOM 463 CB ARG A 28 -5.407 7.838 -3.111 1.00 0.00 C ATOM 464 CG ARG A 28 -6.915 7.651 -2.867 1.00 0.00 C ATOM 465 CD ARG A 28 -7.692 8.822 -3.484 1.00 0.00 C ATOM 466 NE ARG A 28 -9.106 8.747 -3.105 1.00 0.00 N ATOM 467 CZ ARG A 28 -10.002 9.644 -3.524 1.00 0.00 C ATOM 468 NH1 ARG A 28 -9.645 10.634 -4.297 1.00 0.00 N ATOM 469 NH2 ARG A 28 -11.246 9.531 -3.158 1.00 0.00 N ATOM 0 H ARG A 28 -5.304 7.302 -0.704 1.00 0.00 H new ATOM 0 HA ARG A 28 -5.044 5.708 -3.000 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -5.061 8.746 -2.618 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -5.216 7.961 -4.177 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -7.249 6.710 -3.305 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -7.115 7.594 -1.797 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -7.267 9.768 -3.147 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -7.597 8.799 -4.570 1.00 0.00 H new ATOM 0 HE ARG A 28 -9.415 7.985 -2.502 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -8.672 10.729 -4.588 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -10.339 11.312 -4.610 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -11.532 8.760 -2.554 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -11.935 10.213 -3.475 1.00 0.00 H new ATOM 483 N ALA A 29 -2.357 7.405 -2.161 1.00 0.00 N ATOM 484 CA ALA A 29 -0.935 7.597 -2.455 1.00 0.00 C ATOM 485 C ALA A 29 -0.193 6.261 -2.550 1.00 0.00 C ATOM 486 O ALA A 29 0.516 6.018 -3.530 1.00 0.00 O ATOM 487 CB ALA A 29 -0.289 8.469 -1.371 1.00 0.00 C ATOM 0 H ALA A 29 -2.666 7.823 -1.283 1.00 0.00 H new ATOM 0 HA ALA A 29 -0.861 8.095 -3.422 1.00 0.00 H new ATOM 0 HB1 ALA A 29 0.768 8.607 -1.597 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -0.784 9.440 -1.342 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -0.392 7.981 -0.402 1.00 0.00 H new ATOM 493 N PHE A 30 -0.346 5.406 -1.528 1.00 0.00 N ATOM 494 CA PHE A 30 0.338 4.107 -1.526 1.00 0.00 C ATOM 495 C PHE A 30 -0.089 3.242 -2.716 1.00 0.00 C ATOM 496 O PHE A 30 0.763 2.700 -3.428 1.00 0.00 O ATOM 497 CB PHE A 30 0.064 3.361 -0.215 1.00 0.00 C ATOM 498 CG PHE A 30 0.906 3.958 0.895 1.00 0.00 C ATOM 499 CD1 PHE A 30 2.304 3.881 0.827 1.00 0.00 C ATOM 500 CD2 PHE A 30 0.295 4.582 1.991 1.00 0.00 C ATOM 501 CE1 PHE A 30 3.088 4.426 1.847 1.00 0.00 C ATOM 502 CE2 PHE A 30 1.082 5.128 3.012 1.00 0.00 C ATOM 503 CZ PHE A 30 2.480 5.049 2.940 1.00 0.00 C ATOM 0 H PHE A 30 -0.925 5.586 -0.708 1.00 0.00 H new ATOM 0 HA PHE A 30 1.407 4.300 -1.615 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -0.994 3.429 0.040 1.00 0.00 H new ATOM 0 HB3 PHE A 30 0.296 2.302 -0.332 1.00 0.00 H new ATOM 0 HD1 PHE A 30 2.776 3.399 -0.016 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -0.782 4.642 2.048 1.00 0.00 H new ATOM 0 HE1 PHE A 30 4.165 4.366 1.791 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.612 5.611 3.856 1.00 0.00 H new ATOM 0 HZ PHE A 30 3.086 5.469 3.729 1.00 0.00 H new ATOM 513 N ILE A 31 -1.406 3.118 -2.933 1.00 0.00 N ATOM 514 CA ILE A 31 -1.923 2.312 -4.051 1.00 0.00 C ATOM 515 C ILE A 31 -1.390 2.844 -5.390 1.00 0.00 C ATOM 516 O ILE A 31 -1.064 2.062 -6.284 1.00 0.00 O ATOM 517 CB ILE A 31 -3.470 2.284 -4.032 1.00 0.00 C ATOM 518 CG1 ILE A 31 -3.944 1.567 -2.744 1.00 0.00 C ATOM 519 CG2 ILE A 31 -4.000 1.533 -5.271 1.00 0.00 C ATOM 520 CD1 ILE A 31 -5.477 1.552 -2.660 1.00 0.00 C ATOM 0 H ILE A 31 -2.125 3.558 -2.359 1.00 0.00 H new ATOM 0 HA ILE A 31 -1.570 1.287 -3.934 1.00 0.00 H new ATOM 0 HB ILE A 31 -3.853 3.304 -4.050 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -3.565 0.545 -2.731 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -3.532 2.071 -1.870 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -5.090 1.518 -5.249 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -3.662 2.039 -6.175 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -3.623 0.510 -5.265 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -5.786 1.043 -1.747 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -5.851 2.576 -2.649 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -5.884 1.026 -3.524 1.00 0.00 H new ATOM 532 N ARG A 32 -1.275 4.170 -5.508 1.00 0.00 N ATOM 533 CA ARG A 32 -0.737 4.778 -6.728 1.00 0.00 C ATOM 534 C ARG A 32 0.760 4.463 -6.840 1.00 0.00 C ATOM 535 O ARG A 32 1.274 4.167 -7.929 1.00 0.00 O ATOM 536 CB ARG A 32 -0.957 6.299 -6.705 1.00 0.00 C ATOM 537 CG ARG A 32 -0.507 6.914 -8.040 1.00 0.00 C ATOM 538 CD ARG A 32 -0.815 8.416 -8.049 1.00 0.00 C ATOM 539 NE ARG A 32 0.067 9.121 -7.115 1.00 0.00 N ATOM 540 CZ ARG A 32 0.021 10.448 -6.961 1.00 0.00 C ATOM 541 NH1 ARG A 32 -0.824 11.171 -7.645 1.00 0.00 N ATOM 542 NH2 ARG A 32 0.828 11.026 -6.118 1.00 0.00 N ATOM 0 H ARG A 32 -1.544 4.836 -4.783 1.00 0.00 H new ATOM 0 HA ARG A 32 -1.257 4.366 -7.593 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -2.010 6.520 -6.530 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -0.397 6.744 -5.883 1.00 0.00 H new ATOM 0 HG2 ARG A 32 0.561 6.751 -8.184 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -1.019 6.423 -8.868 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -0.684 8.815 -9.055 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -1.856 8.582 -7.773 1.00 0.00 H new ATOM 0 HE ARG A 32 0.737 8.583 -6.565 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -1.459 10.724 -8.306 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -0.849 12.183 -7.518 1.00 0.00 H new ATOM 0 HH21 ARG A 32 1.490 10.467 -5.580 1.00 0.00 H new ATOM 0 HH22 ARG A 32 0.798 12.038 -5.996 1.00 0.00 H new ATOM 556 N SER A 33 1.449 4.531 -5.691 1.00 0.00 N ATOM 557 CA SER A 33 2.886 4.259 -5.631 1.00 0.00 C ATOM 558 C SER A 33 3.199 2.842 -6.116 1.00 0.00 C ATOM 559 O SER A 33 4.263 2.607 -6.694 1.00 0.00 O ATOM 560 CB SER A 33 3.402 4.452 -4.201 1.00 0.00 C ATOM 561 OG SER A 33 4.824 4.378 -4.196 1.00 0.00 O ATOM 0 H SER A 33 1.031 4.772 -4.793 1.00 0.00 H new ATOM 0 HA SER A 33 3.391 4.964 -6.291 1.00 0.00 H new ATOM 0 HB2 SER A 33 3.076 5.417 -3.812 1.00 0.00 H new ATOM 0 HB3 SER A 33 2.985 3.687 -3.546 1.00 0.00 H new ATOM 0 HG SER A 33 5.163 4.659 -3.321 1.00 0.00 H new ATOM 567 N LEU A 34 2.266 1.900 -5.887 1.00 0.00 N ATOM 568 CA LEU A 34 2.461 0.508 -6.326 1.00 0.00 C ATOM 569 C LEU A 34 2.777 0.479 -7.824 1.00 0.00 C ATOM 570 O LEU A 34 3.745 -0.153 -8.255 1.00 0.00 O ATOM 571 CB LEU A 34 1.189 -0.334 -6.061 1.00 0.00 C ATOM 572 CG LEU A 34 1.381 -1.331 -4.900 1.00 0.00 C ATOM 573 CD1 LEU A 34 2.575 -2.262 -5.181 1.00 0.00 C ATOM 574 CD2 LEU A 34 1.590 -0.569 -3.582 1.00 0.00 C ATOM 0 H LEU A 34 1.383 2.074 -5.408 1.00 0.00 H new ATOM 0 HA LEU A 34 3.291 0.083 -5.761 1.00 0.00 H new ATOM 0 HB2 LEU A 34 0.356 0.331 -5.832 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.922 -0.880 -6.966 1.00 0.00 H new ATOM 0 HG LEU A 34 0.484 -1.944 -4.812 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.696 -2.959 -4.352 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.393 -2.819 -6.100 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.482 -1.668 -5.291 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.725 -1.281 -2.768 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.475 0.062 -3.663 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.718 0.053 -3.379 1.00 0.00 H new ATOM 586 N TYR A 35 1.952 1.187 -8.601 1.00 0.00 N ATOM 587 CA TYR A 35 2.138 1.267 -10.047 1.00 0.00 C ATOM 588 C TYR A 35 3.470 1.947 -10.366 1.00 0.00 C ATOM 589 O TYR A 35 4.186 1.526 -11.279 1.00 0.00 O ATOM 590 CB TYR A 35 0.980 2.054 -10.683 1.00 0.00 C ATOM 591 CG TYR A 35 1.094 2.013 -12.196 1.00 0.00 C ATOM 592 CD1 TYR A 35 0.571 0.925 -12.910 1.00 0.00 C ATOM 593 CD2 TYR A 35 1.725 3.060 -12.884 1.00 0.00 C ATOM 594 CE1 TYR A 35 0.678 0.886 -14.306 1.00 0.00 C ATOM 595 CE2 TYR A 35 1.830 3.019 -14.280 1.00 0.00 C ATOM 596 CZ TYR A 35 1.307 1.932 -14.990 1.00 0.00 C ATOM 597 OH TYR A 35 1.411 1.893 -16.366 1.00 0.00 O ATOM 0 H TYR A 35 1.151 1.711 -8.250 1.00 0.00 H new ATOM 0 HA TYR A 35 2.148 0.258 -10.459 1.00 0.00 H new ATOM 0 HB2 TYR A 35 0.026 1.630 -10.370 1.00 0.00 H new ATOM 0 HB3 TYR A 35 0.998 3.087 -10.337 1.00 0.00 H new ATOM 0 HD1 TYR A 35 0.086 0.117 -12.383 1.00 0.00 H new ATOM 0 HD2 TYR A 35 2.130 3.898 -12.337 1.00 0.00 H new ATOM 0 HE1 TYR A 35 0.275 0.048 -14.855 1.00 0.00 H new ATOM 0 HE2 TYR A 35 2.315 3.826 -14.809 1.00 0.00 H new ATOM 0 HH TYR A 35 1.874 2.697 -16.682 1.00 0.00 H new ATOM 607 N ASP A 36 3.785 3.005 -9.606 1.00 0.00 N ATOM 608 CA ASP A 36 5.031 3.753 -9.808 1.00 0.00 C ATOM 609 C ASP A 36 6.259 2.846 -9.657 1.00 0.00 C ATOM 610 O ASP A 36 7.229 2.983 -10.407 1.00 0.00 O ATOM 611 CB ASP A 36 5.120 4.908 -8.803 1.00 0.00 C ATOM 612 CG ASP A 36 6.296 5.821 -9.156 1.00 0.00 C ATOM 613 OD1 ASP A 36 6.117 6.690 -9.995 1.00 0.00 O ATOM 614 OD2 ASP A 36 7.360 5.636 -8.585 1.00 0.00 O ATOM 0 H ASP A 36 3.198 3.359 -8.851 1.00 0.00 H new ATOM 0 HA ASP A 36 5.020 4.149 -10.823 1.00 0.00 H new ATOM 0 HB2 ASP A 36 4.191 5.479 -8.810 1.00 0.00 H new ATOM 0 HB3 ASP A 36 5.245 4.514 -7.794 1.00 0.00 H new ATOM 619 N ASP A 37 6.210 1.927 -8.683 1.00 0.00 N ATOM 620 CA ASP A 37 7.327 1.003 -8.437 1.00 0.00 C ATOM 621 C ASP A 37 6.860 -0.195 -7.583 1.00 0.00 C ATOM 622 O ASP A 37 6.816 -0.104 -6.349 1.00 0.00 O ATOM 623 CB ASP A 37 8.478 1.753 -7.728 1.00 0.00 C ATOM 624 CG ASP A 37 9.704 1.842 -8.644 1.00 0.00 C ATOM 625 OD1 ASP A 37 10.408 0.851 -8.757 1.00 0.00 O ATOM 626 OD2 ASP A 37 9.919 2.899 -9.217 1.00 0.00 O ATOM 0 H ASP A 37 5.415 1.803 -8.056 1.00 0.00 H new ATOM 0 HA ASP A 37 7.686 0.621 -9.393 1.00 0.00 H new ATOM 0 HB2 ASP A 37 8.151 2.755 -7.450 1.00 0.00 H new ATOM 0 HB3 ASP A 37 8.743 1.237 -6.805 1.00 0.00 H new ATOM 631 N PRO A 38 6.502 -1.310 -8.204 1.00 0.00 N ATOM 632 CA PRO A 38 6.019 -2.522 -7.464 1.00 0.00 C ATOM 633 C PRO A 38 7.129 -3.207 -6.663 1.00 0.00 C ATOM 634 O PRO A 38 6.849 -4.050 -5.806 1.00 0.00 O ATOM 635 CB PRO A 38 5.489 -3.439 -8.572 1.00 0.00 C ATOM 636 CG PRO A 38 6.253 -3.052 -9.791 1.00 0.00 C ATOM 637 CD PRO A 38 6.524 -1.552 -9.666 1.00 0.00 C ATOM 0 HA PRO A 38 5.265 -2.266 -6.719 1.00 0.00 H new ATOM 0 HB2 PRO A 38 5.646 -4.489 -8.324 1.00 0.00 H new ATOM 0 HB3 PRO A 38 4.417 -3.303 -8.718 1.00 0.00 H new ATOM 0 HG2 PRO A 38 7.186 -3.612 -9.860 1.00 0.00 H new ATOM 0 HG3 PRO A 38 5.683 -3.271 -10.694 1.00 0.00 H new ATOM 0 HD2 PRO A 38 7.486 -1.281 -10.102 1.00 0.00 H new ATOM 0 HD3 PRO A 38 5.764 -0.964 -10.180 1.00 0.00 H new ATOM 645 N SER A 39 8.383 -2.834 -6.939 1.00 0.00 N ATOM 646 CA SER A 39 9.522 -3.415 -6.233 1.00 0.00 C ATOM 647 C SER A 39 9.576 -2.894 -4.798 1.00 0.00 C ATOM 648 O SER A 39 10.186 -3.519 -3.926 1.00 0.00 O ATOM 649 CB SER A 39 10.824 -3.090 -6.976 1.00 0.00 C ATOM 650 OG SER A 39 10.990 -1.681 -7.059 1.00 0.00 O ATOM 0 H SER A 39 8.631 -2.137 -7.642 1.00 0.00 H new ATOM 0 HA SER A 39 9.403 -4.498 -6.201 1.00 0.00 H new ATOM 0 HB2 SER A 39 11.672 -3.536 -6.456 1.00 0.00 H new ATOM 0 HB3 SER A 39 10.801 -3.523 -7.976 1.00 0.00 H new ATOM 0 HG SER A 39 10.480 -1.336 -7.821 1.00 0.00 H new ATOM 656 N GLN A 40 8.927 -1.745 -4.567 1.00 0.00 N ATOM 657 CA GLN A 40 8.886 -1.128 -3.243 1.00 0.00 C ATOM 658 C GLN A 40 7.630 -1.565 -2.479 1.00 0.00 C ATOM 659 O GLN A 40 7.402 -1.120 -1.360 1.00 0.00 O ATOM 660 CB GLN A 40 8.888 0.405 -3.406 1.00 0.00 C ATOM 661 CG GLN A 40 10.322 0.949 -3.556 1.00 0.00 C ATOM 662 CD GLN A 40 11.051 0.311 -4.739 1.00 0.00 C ATOM 663 OE1 GLN A 40 11.655 -0.753 -4.598 1.00 0.00 O ATOM 664 NE2 GLN A 40 11.037 0.904 -5.901 1.00 0.00 N ATOM 0 H GLN A 40 8.423 -1.226 -5.286 1.00 0.00 H new ATOM 0 HA GLN A 40 9.760 -1.446 -2.674 1.00 0.00 H new ATOM 0 HB2 GLN A 40 8.299 0.681 -4.280 1.00 0.00 H new ATOM 0 HB3 GLN A 40 8.410 0.866 -2.541 1.00 0.00 H new ATOM 0 HG2 GLN A 40 10.288 2.030 -3.690 1.00 0.00 H new ATOM 0 HG3 GLN A 40 10.881 0.759 -2.640 1.00 0.00 H new ATOM 0 HE21 GLN A 40 10.537 1.785 -6.018 1.00 0.00 H new ATOM 0 HE22 GLN A 40 11.526 0.486 -6.693 1.00 0.00 H new ATOM 673 N SER A 41 6.813 -2.425 -3.099 1.00 0.00 N ATOM 674 CA SER A 41 5.561 -2.895 -2.484 1.00 0.00 C ATOM 675 C SER A 41 5.733 -3.297 -1.019 1.00 0.00 C ATOM 676 O SER A 41 4.878 -2.981 -0.183 1.00 0.00 O ATOM 677 CB SER A 41 5.026 -4.093 -3.266 1.00 0.00 C ATOM 678 OG SER A 41 6.039 -5.088 -3.364 1.00 0.00 O ATOM 0 H SER A 41 6.994 -2.811 -4.026 1.00 0.00 H new ATOM 0 HA SER A 41 4.859 -2.061 -2.517 1.00 0.00 H new ATOM 0 HB2 SER A 41 4.147 -4.502 -2.768 1.00 0.00 H new ATOM 0 HB3 SER A 41 4.712 -3.780 -4.262 1.00 0.00 H new ATOM 0 HG SER A 41 6.536 -4.968 -4.200 1.00 0.00 H new ATOM 684 N ALA A 42 6.831 -3.983 -0.716 1.00 0.00 N ATOM 685 CA ALA A 42 7.096 -4.415 0.656 1.00 0.00 C ATOM 686 C ALA A 42 7.294 -3.199 1.560 1.00 0.00 C ATOM 687 O ALA A 42 6.823 -3.172 2.704 1.00 0.00 O ATOM 688 CB ALA A 42 8.348 -5.299 0.693 1.00 0.00 C ATOM 0 H ALA A 42 7.546 -4.250 -1.393 1.00 0.00 H new ATOM 0 HA ALA A 42 6.242 -4.989 1.016 1.00 0.00 H new ATOM 0 HB1 ALA A 42 8.539 -5.617 1.718 1.00 0.00 H new ATOM 0 HB2 ALA A 42 8.193 -6.176 0.064 1.00 0.00 H new ATOM 0 HB3 ALA A 42 9.203 -4.734 0.323 1.00 0.00 H new ATOM 694 N ASN A 43 7.986 -2.192 1.024 1.00 0.00 N ATOM 695 CA ASN A 43 8.252 -0.957 1.765 1.00 0.00 C ATOM 696 C ASN A 43 6.976 -0.136 1.925 1.00 0.00 C ATOM 697 O ASN A 43 6.687 0.356 3.011 1.00 0.00 O ATOM 698 CB ASN A 43 9.305 -0.103 1.037 1.00 0.00 C ATOM 699 CG ASN A 43 10.644 -0.838 0.923 1.00 0.00 C ATOM 700 OD1 ASN A 43 10.864 -1.867 1.565 1.00 0.00 O ATOM 701 ND2 ASN A 43 11.564 -0.349 0.141 1.00 0.00 N ATOM 0 H ASN A 43 8.372 -2.207 0.080 1.00 0.00 H new ATOM 0 HA ASN A 43 8.628 -1.238 2.749 1.00 0.00 H new ATOM 0 HB2 ASN A 43 8.943 0.152 0.041 1.00 0.00 H new ATOM 0 HB3 ASN A 43 9.448 0.835 1.574 1.00 0.00 H new ATOM 0 HD21 ASN A 43 12.466 -0.818 0.060 1.00 0.00 H new ATOM 0 HD22 ASN A 43 11.382 0.502 -0.390 1.00 0.00 H new ATOM 708 N LEU A 44 6.228 0.013 0.827 1.00 0.00 N ATOM 709 CA LEU A 44 4.982 0.790 0.837 1.00 0.00 C ATOM 710 C LEU A 44 3.999 0.231 1.867 1.00 0.00 C ATOM 711 O LEU A 44 3.384 0.988 2.620 1.00 0.00 O ATOM 712 CB LEU A 44 4.319 0.739 -0.540 1.00 0.00 C ATOM 713 CG LEU A 44 5.258 1.276 -1.647 1.00 0.00 C ATOM 714 CD1 LEU A 44 4.552 1.196 -3.008 1.00 0.00 C ATOM 715 CD2 LEU A 44 5.647 2.734 -1.369 1.00 0.00 C ATOM 0 H LEU A 44 6.462 -0.393 -0.079 1.00 0.00 H new ATOM 0 HA LEU A 44 5.234 1.818 1.096 1.00 0.00 H new ATOM 0 HB2 LEU A 44 4.036 -0.288 -0.770 1.00 0.00 H new ATOM 0 HB3 LEU A 44 3.401 1.327 -0.524 1.00 0.00 H new ATOM 0 HG LEU A 44 6.160 0.664 -1.658 1.00 0.00 H new ATOM 0 HD11 LEU A 44 5.216 1.575 -3.785 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.295 0.159 -3.224 1.00 0.00 H new ATOM 0 HD13 LEU A 44 3.643 1.797 -2.982 1.00 0.00 H new ATOM 0 HD21 LEU A 44 6.307 3.091 -2.159 1.00 0.00 H new ATOM 0 HD22 LEU A 44 4.749 3.351 -1.340 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.162 2.797 -0.410 1.00 0.00 H new ATOM 727 N LEU A 45 3.860 -1.100 1.890 1.00 0.00 N ATOM 728 CA LEU A 45 2.955 -1.761 2.834 1.00 0.00 C ATOM 729 C LEU A 45 3.389 -1.459 4.269 1.00 0.00 C ATOM 730 O LEU A 45 2.570 -1.063 5.104 1.00 0.00 O ATOM 731 CB LEU A 45 2.963 -3.276 2.572 1.00 0.00 C ATOM 732 CG LEU A 45 2.141 -4.033 3.641 1.00 0.00 C ATOM 733 CD1 LEU A 45 0.665 -3.612 3.575 1.00 0.00 C ATOM 734 CD2 LEU A 45 2.249 -5.545 3.396 1.00 0.00 C ATOM 0 H LEU A 45 4.360 -1.736 1.269 1.00 0.00 H new ATOM 0 HA LEU A 45 1.941 -1.385 2.696 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.552 -3.479 1.583 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.990 -3.642 2.572 1.00 0.00 H new ATOM 0 HG LEU A 45 2.537 -3.789 4.627 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.098 -4.153 4.333 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.584 -2.540 3.757 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.264 -3.844 2.588 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.669 -6.078 4.150 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.861 -5.782 2.405 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.294 -5.850 3.459 1.00 0.00 H new ATOM 746 N ALA A 46 4.687 -1.628 4.532 1.00 0.00 N ATOM 747 CA ALA A 46 5.236 -1.346 5.861 1.00 0.00 C ATOM 748 C ALA A 46 5.050 0.136 6.191 1.00 0.00 C ATOM 749 O ALA A 46 4.708 0.500 7.320 1.00 0.00 O ATOM 750 CB ALA A 46 6.727 -1.698 5.896 1.00 0.00 C ATOM 0 H ALA A 46 5.372 -1.955 3.850 1.00 0.00 H new ATOM 0 HA ALA A 46 4.709 -1.950 6.600 1.00 0.00 H new ATOM 0 HB1 ALA A 46 7.128 -1.486 6.887 1.00 0.00 H new ATOM 0 HB2 ALA A 46 6.856 -2.757 5.672 1.00 0.00 H new ATOM 0 HB3 ALA A 46 7.259 -1.102 5.154 1.00 0.00 H new ATOM 756 N GLU A 47 5.266 0.977 5.177 1.00 0.00 N ATOM 757 CA GLU A 47 5.119 2.423 5.312 1.00 0.00 C ATOM 758 C GLU A 47 3.674 2.787 5.653 1.00 0.00 C ATOM 759 O GLU A 47 3.427 3.696 6.451 1.00 0.00 O ATOM 760 CB GLU A 47 5.537 3.102 3.999 1.00 0.00 C ATOM 761 CG GLU A 47 7.073 3.182 3.907 1.00 0.00 C ATOM 762 CD GLU A 47 7.623 4.211 4.905 1.00 0.00 C ATOM 763 OE1 GLU A 47 7.294 5.381 4.770 1.00 0.00 O ATOM 764 OE2 GLU A 47 8.376 3.816 5.784 1.00 0.00 O ATOM 0 H GLU A 47 5.546 0.674 4.244 1.00 0.00 H new ATOM 0 HA GLU A 47 5.760 2.770 6.122 1.00 0.00 H new ATOM 0 HB2 GLU A 47 5.143 2.543 3.150 1.00 0.00 H new ATOM 0 HB3 GLU A 47 5.110 4.103 3.947 1.00 0.00 H new ATOM 0 HG2 GLU A 47 7.506 2.203 4.111 1.00 0.00 H new ATOM 0 HG3 GLU A 47 7.368 3.456 2.894 1.00 0.00 H new ATOM 771 N ALA A 48 2.723 2.062 5.058 1.00 0.00 N ATOM 772 CA ALA A 48 1.307 2.308 5.323 1.00 0.00 C ATOM 773 C ALA A 48 1.008 2.007 6.788 1.00 0.00 C ATOM 774 O ALA A 48 0.296 2.761 7.461 1.00 0.00 O ATOM 775 CB ALA A 48 0.440 1.423 4.419 1.00 0.00 C ATOM 0 H ALA A 48 2.907 1.308 4.396 1.00 0.00 H new ATOM 0 HA ALA A 48 1.077 3.353 5.113 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.613 1.614 4.625 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.653 1.651 3.375 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.663 0.374 4.614 1.00 0.00 H new ATOM 781 N LYS A 49 1.583 0.906 7.277 1.00 0.00 N ATOM 782 CA LYS A 49 1.402 0.506 8.667 1.00 0.00 C ATOM 783 C LYS A 49 2.013 1.559 9.594 1.00 0.00 C ATOM 784 O LYS A 49 1.525 1.774 10.705 1.00 0.00 O ATOM 785 CB LYS A 49 2.057 -0.865 8.914 1.00 0.00 C ATOM 786 CG LYS A 49 1.161 -1.715 9.819 1.00 0.00 C ATOM 787 CD LYS A 49 0.137 -2.452 8.954 1.00 0.00 C ATOM 788 CE LYS A 49 -0.661 -3.438 9.803 1.00 0.00 C ATOM 789 NZ LYS A 49 0.263 -4.387 10.494 1.00 0.00 N ATOM 0 H LYS A 49 2.175 0.280 6.731 1.00 0.00 H new ATOM 0 HA LYS A 49 0.336 0.425 8.877 1.00 0.00 H new ATOM 0 HB2 LYS A 49 2.220 -1.376 7.965 1.00 0.00 H new ATOM 0 HB3 LYS A 49 3.035 -0.733 9.377 1.00 0.00 H new ATOM 0 HG2 LYS A 49 1.763 -2.429 10.381 1.00 0.00 H new ATOM 0 HG3 LYS A 49 0.653 -1.083 10.547 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -0.538 -1.735 8.486 1.00 0.00 H new ATOM 0 HD3 LYS A 49 0.645 -2.983 8.149 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -1.256 -2.897 10.539 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -1.358 -3.991 9.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -0.260 -5.243 10.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 1.039 -4.646 9.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 0.654 -3.934 11.344 1.00 0.00 H new ATOM 803 N LYS A 50 3.089 2.208 9.121 1.00 0.00 N ATOM 804 CA LYS A 50 3.768 3.243 9.899 1.00 0.00 C ATOM 805 C LYS A 50 2.819 4.412 10.162 1.00 0.00 C ATOM 806 O LYS A 50 2.670 4.854 11.306 1.00 0.00 O ATOM 807 CB LYS A 50 5.000 3.732 9.129 1.00 0.00 C ATOM 808 CG LYS A 50 5.879 4.608 10.035 1.00 0.00 C ATOM 809 CD LYS A 50 7.186 4.957 9.305 1.00 0.00 C ATOM 810 CE LYS A 50 6.943 6.072 8.278 1.00 0.00 C ATOM 811 NZ LYS A 50 8.120 6.173 7.368 1.00 0.00 N ATOM 0 H LYS A 50 3.503 2.031 8.206 1.00 0.00 H new ATOM 0 HA LYS A 50 4.081 2.826 10.856 1.00 0.00 H new ATOM 0 HB2 LYS A 50 5.574 2.879 8.768 1.00 0.00 H new ATOM 0 HB3 LYS A 50 4.688 4.300 8.253 1.00 0.00 H new ATOM 0 HG2 LYS A 50 5.346 5.520 10.304 1.00 0.00 H new ATOM 0 HG3 LYS A 50 6.099 4.082 10.964 1.00 0.00 H new ATOM 0 HD2 LYS A 50 7.939 5.275 10.026 1.00 0.00 H new ATOM 0 HD3 LYS A 50 7.578 4.072 8.804 1.00 0.00 H new ATOM 0 HE2 LYS A 50 6.042 5.861 7.703 1.00 0.00 H new ATOM 0 HE3 LYS A 50 6.781 7.022 8.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 7.793 6.323 6.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 8.717 6.973 7.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 8.673 5.293 7.417 1.00 0.00 H new ATOM 825 N LEU A 51 2.165 4.892 9.095 1.00 0.00 N ATOM 826 CA LEU A 51 1.209 5.997 9.217 1.00 0.00 C ATOM 827 C LEU A 51 0.032 5.566 10.090 1.00 0.00 C ATOM 828 O LEU A 51 -0.463 6.349 10.905 1.00 0.00 O ATOM 829 CB LEU A 51 0.724 6.443 7.822 1.00 0.00 C ATOM 830 CG LEU A 51 1.722 7.458 7.226 1.00 0.00 C ATOM 831 CD1 LEU A 51 1.489 7.596 5.717 1.00 0.00 C ATOM 832 CD2 LEU A 51 1.540 8.829 7.901 1.00 0.00 C ATOM 0 H LEU A 51 2.280 4.535 8.146 1.00 0.00 H new ATOM 0 HA LEU A 51 1.702 6.847 9.690 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.633 5.579 7.164 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.266 6.893 7.897 1.00 0.00 H new ATOM 0 HG LEU A 51 2.736 7.100 7.402 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.197 8.314 5.304 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.632 6.628 5.237 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.472 7.944 5.536 1.00 0.00 H new ATOM 0 HD21 LEU A 51 2.248 9.541 7.476 1.00 0.00 H new ATOM 0 HD22 LEU A 51 0.523 9.184 7.734 1.00 0.00 H new ATOM 0 HD23 LEU A 51 1.720 8.734 8.972 1.00 0.00 H new ATOM 844 N ASN A 52 -0.385 4.304 9.930 1.00 0.00 N ATOM 845 CA ASN A 52 -1.481 3.746 10.727 1.00 0.00 C ATOM 846 C ASN A 52 -1.131 3.797 12.216 1.00 0.00 C ATOM 847 O ASN A 52 -1.925 4.262 13.036 1.00 0.00 O ATOM 848 CB ASN A 52 -1.732 2.292 10.289 1.00 0.00 C ATOM 849 CG ASN A 52 -2.689 1.573 11.244 1.00 0.00 C ATOM 850 OD1 ASN A 52 -2.250 0.811 12.106 1.00 0.00 O ATOM 851 ND2 ASN A 52 -3.970 1.767 11.143 1.00 0.00 N ATOM 0 H ASN A 52 0.020 3.653 9.257 1.00 0.00 H new ATOM 0 HA ASN A 52 -2.384 4.335 10.567 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -2.147 2.281 9.281 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -0.785 1.755 10.249 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -4.610 1.289 11.777 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -4.336 2.398 10.430 1.00 0.00 H new ATOM 858 N ASP A 53 0.068 3.322 12.547 1.00 0.00 N ATOM 859 CA ASP A 53 0.530 3.314 13.935 1.00 0.00 C ATOM 860 C ASP A 53 0.651 4.732 14.481 1.00 0.00 C ATOM 861 O ASP A 53 0.357 4.983 15.653 1.00 0.00 O ATOM 862 CB ASP A 53 1.899 2.633 14.024 1.00 0.00 C ATOM 863 CG ASP A 53 2.299 2.437 15.489 1.00 0.00 C ATOM 864 OD1 ASP A 53 1.873 1.454 16.074 1.00 0.00 O ATOM 865 OD2 ASP A 53 3.023 3.275 16.005 1.00 0.00 O ATOM 0 H ASP A 53 0.735 2.939 11.877 1.00 0.00 H new ATOM 0 HA ASP A 53 -0.203 2.767 14.528 1.00 0.00 H new ATOM 0 HB2 ASP A 53 1.867 1.669 13.516 1.00 0.00 H new ATOM 0 HB3 ASP A 53 2.648 3.238 13.513 1.00 0.00 H new ATOM 870 N ALA A 54 1.124 5.642 13.630 1.00 0.00 N ATOM 871 CA ALA A 54 1.334 7.030 14.032 1.00 0.00 C ATOM 872 C ALA A 54 0.019 7.756 14.322 1.00 0.00 C ATOM 873 O ALA A 54 -0.137 8.381 15.374 1.00 0.00 O ATOM 874 CB ALA A 54 2.076 7.775 12.916 1.00 0.00 C ATOM 0 H ALA A 54 1.368 5.442 12.660 1.00 0.00 H new ATOM 0 HA ALA A 54 1.921 7.019 14.951 1.00 0.00 H new ATOM 0 HB1 ALA A 54 2.234 8.812 13.213 1.00 0.00 H new ATOM 0 HB2 ALA A 54 3.040 7.297 12.738 1.00 0.00 H new ATOM 0 HB3 ALA A 54 1.482 7.746 12.002 1.00 0.00 H new ATOM 880 N GLN A 55 -0.906 7.688 13.365 1.00 0.00 N ATOM 881 CA GLN A 55 -2.203 8.361 13.484 1.00 0.00 C ATOM 882 C GLN A 55 -3.135 7.662 14.480 1.00 0.00 C ATOM 883 O GLN A 55 -4.036 8.301 15.032 1.00 0.00 O ATOM 884 CB GLN A 55 -2.856 8.452 12.099 1.00 0.00 C ATOM 885 CG GLN A 55 -2.024 9.394 11.211 1.00 0.00 C ATOM 886 CD GLN A 55 -2.528 9.372 9.771 1.00 0.00 C ATOM 887 OE1 GLN A 55 -2.154 10.230 8.973 1.00 0.00 O ATOM 888 NE2 GLN A 55 -3.340 8.430 9.381 1.00 0.00 N ATOM 0 H GLN A 55 -0.782 7.172 12.494 1.00 0.00 H new ATOM 0 HA GLN A 55 -2.028 9.363 13.875 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -2.915 7.463 11.645 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -3.877 8.823 12.188 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -2.076 10.410 11.603 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -0.976 9.095 11.238 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -3.650 7.718 10.042 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -3.665 8.405 8.414 1.00 0.00 H new ATOM 897 N ALA A 56 -2.925 6.359 14.698 1.00 0.00 N ATOM 898 CA ALA A 56 -3.766 5.593 15.626 1.00 0.00 C ATOM 899 C ALA A 56 -3.737 6.209 17.034 1.00 0.00 C ATOM 900 O ALA A 56 -2.715 6.763 17.450 1.00 0.00 O ATOM 901 CB ALA A 56 -3.286 4.138 15.696 1.00 0.00 C ATOM 0 H ALA A 56 -2.187 5.816 14.249 1.00 0.00 H new ATOM 0 HA ALA A 56 -4.790 5.623 15.253 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.917 3.580 16.387 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.345 3.687 14.705 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -2.254 4.112 16.045 1.00 0.00 H new ATOM 907 N PRO A 57 -4.833 6.121 17.771 1.00 0.00 N ATOM 908 CA PRO A 57 -4.927 6.681 19.156 1.00 0.00 C ATOM 909 C PRO A 57 -4.055 5.908 20.149 1.00 0.00 C ATOM 910 O PRO A 57 -3.700 4.752 19.903 1.00 0.00 O ATOM 911 CB PRO A 57 -6.416 6.560 19.508 1.00 0.00 C ATOM 912 CG PRO A 57 -6.941 5.466 18.640 1.00 0.00 C ATOM 913 CD PRO A 57 -6.098 5.474 17.367 1.00 0.00 C ATOM 0 HA PRO A 57 -4.565 7.708 19.207 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -6.552 6.324 20.563 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -6.941 7.496 19.321 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -6.870 4.503 19.145 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -7.994 5.627 18.408 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -5.927 4.463 16.997 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -6.590 6.028 16.567 1.00 0.00 H new ATOM 921 N LYS A 58 -3.720 6.570 21.263 1.00 0.00 N ATOM 922 CA LYS A 58 -2.885 5.977 22.325 1.00 0.00 C ATOM 923 C LYS A 58 -1.448 5.689 21.839 1.00 0.00 C ATOM 924 O LYS A 58 -0.643 5.266 22.656 1.00 0.00 O ATOM 925 CB LYS A 58 -3.532 4.682 22.860 1.00 0.00 C ATOM 926 CG LYS A 58 -4.924 4.989 23.440 1.00 0.00 C ATOM 927 CD LYS A 58 -5.500 3.740 24.129 1.00 0.00 C ATOM 928 CE LYS A 58 -5.864 2.676 23.084 1.00 0.00 C ATOM 929 NZ LYS A 58 -6.425 1.479 23.773 1.00 0.00 N ATOM 930 OXT LYS A 58 -1.166 5.903 20.668 1.00 0.00 O ATOM 0 H LYS A 58 -4.016 7.527 21.457 1.00 0.00 H new ATOM 0 HA LYS A 58 -2.821 6.708 23.131 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -3.617 3.950 22.057 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -2.898 4.240 23.629 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -4.855 5.809 24.155 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -5.594 5.316 22.644 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -4.772 3.335 24.832 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -6.384 4.010 24.707 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -6.591 3.077 22.378 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -4.981 2.398 22.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -6.673 0.756 23.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -5.717 1.093 24.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -7.277 1.751 24.303 1.00 0.00 H new TER 944 LYS A 58