USER MOD reduce.3.24.130724 H: found=0, std=0, add=654, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 654 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= -0.761 K(o=-0.76,f=-2.6!) USER MOD Single : A 7 GLN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 160:sc= -0.0116 (180deg=-0.528) USER MOD Single : A 28 MET CE :methyl -152:sc= -0.786 (180deg=-3.45!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.0954 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl 153:sc= -0.115 (180deg=-1.24) USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 ASN : amide:sc= -0.142 K(o=-0.14,f=-0.69) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot -119:sc= 1.18 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 MET CE :methyl -168:sc= -0.0149 (180deg=-0.127) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= -0.299 X(o=-0.3,f=0) USER MOD Single : A 86 MET CE :methyl -103:sc= -3.29! (180deg=-5.75!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -22.741 0.647 -20.303 1.00 0.00 N ATOM 2 CA ALA A 1 -21.697 1.692 -20.283 1.00 0.00 C ATOM 3 C ALA A 1 -21.386 2.097 -18.816 1.00 0.00 C ATOM 4 O ALA A 1 -22.149 2.841 -18.190 1.00 0.00 O ATOM 5 CB ALA A 1 -22.146 2.899 -21.127 1.00 0.00 C ATOM 0 H1 ALA A 1 -22.946 0.379 -21.287 1.00 0.00 H new ATOM 0 H2 ALA A 1 -22.407 -0.187 -19.780 1.00 0.00 H new ATOM 0 H3 ALA A 1 -23.606 1.012 -19.857 1.00 0.00 H new ATOM 0 HA ALA A 1 -20.779 1.304 -20.723 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -21.371 3.665 -21.107 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -22.316 2.581 -22.156 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -23.070 3.307 -20.716 1.00 0.00 H new ATOM 13 N SER A 2 -20.251 1.600 -18.290 1.00 0.00 N ATOM 14 CA SER A 2 -19.813 1.878 -16.896 1.00 0.00 C ATOM 15 C SER A 2 -18.892 3.128 -16.873 1.00 0.00 C ATOM 16 O SER A 2 -18.199 3.420 -17.854 1.00 0.00 O ATOM 17 CB SER A 2 -19.119 0.624 -16.315 1.00 0.00 C ATOM 18 OG SER A 2 -19.973 -0.073 -15.414 1.00 0.00 O ATOM 0 H SER A 2 -19.611 0.998 -18.809 1.00 0.00 H new ATOM 0 HA SER A 2 -20.674 2.100 -16.266 1.00 0.00 H new ATOM 0 HB2 SER A 2 -18.825 -0.040 -17.128 1.00 0.00 H new ATOM 0 HB3 SER A 2 -18.206 0.919 -15.798 1.00 0.00 H new ATOM 0 HG SER A 2 -19.507 -0.861 -15.065 1.00 0.00 H new ATOM 24 N MET A 3 -18.893 3.848 -15.735 1.00 0.00 N ATOM 25 CA MET A 3 -18.103 5.095 -15.562 1.00 0.00 C ATOM 26 C MET A 3 -16.991 4.856 -14.505 1.00 0.00 C ATOM 27 O MET A 3 -15.853 4.517 -14.851 1.00 0.00 O ATOM 28 CB MET A 3 -19.048 6.265 -15.171 1.00 0.00 C ATOM 29 CG MET A 3 -18.352 7.589 -14.797 1.00 0.00 C ATOM 30 SD MET A 3 -18.421 8.766 -16.168 1.00 0.00 S ATOM 31 CE MET A 3 -16.786 9.523 -16.084 1.00 0.00 C ATOM 0 H MET A 3 -19.436 3.589 -14.911 1.00 0.00 H new ATOM 0 HA MET A 3 -17.617 5.370 -16.498 1.00 0.00 H new ATOM 0 HB2 MET A 3 -19.726 6.454 -16.004 1.00 0.00 H new ATOM 0 HB3 MET A 3 -19.661 5.947 -14.327 1.00 0.00 H new ATOM 0 HG2 MET A 3 -18.831 8.020 -13.918 1.00 0.00 H new ATOM 0 HG3 MET A 3 -17.313 7.395 -14.531 1.00 0.00 H new ATOM 0 HE1 MET A 3 -16.690 10.269 -16.873 1.00 0.00 H new ATOM 0 HE2 MET A 3 -16.656 10.002 -15.113 1.00 0.00 H new ATOM 0 HE3 MET A 3 -16.023 8.756 -16.215 1.00 0.00 H new ATOM 41 N THR A 4 -17.339 5.052 -13.219 1.00 0.00 N ATOM 42 CA THR A 4 -16.417 4.802 -12.079 1.00 0.00 C ATOM 43 C THR A 4 -15.280 5.859 -12.064 1.00 0.00 C ATOM 44 O THR A 4 -14.321 5.766 -12.841 1.00 0.00 O ATOM 45 CB THR A 4 -15.927 3.321 -12.070 1.00 0.00 C ATOM 46 OG1 THR A 4 -17.045 2.455 -12.236 1.00 0.00 O ATOM 47 CG2 THR A 4 -15.132 2.839 -10.839 1.00 0.00 C ATOM 0 H THR A 4 -18.260 5.386 -12.935 1.00 0.00 H new ATOM 0 HA THR A 4 -16.952 4.928 -11.138 1.00 0.00 H new ATOM 0 HB THR A 4 -15.215 3.286 -12.894 1.00 0.00 H new ATOM 0 HG1 THR A 4 -16.741 1.523 -12.233 1.00 0.00 H new ATOM 0 HG21 THR A 4 -14.857 1.792 -10.970 1.00 0.00 H new ATOM 0 HG22 THR A 4 -14.229 3.440 -10.730 1.00 0.00 H new ATOM 0 HG23 THR A 4 -15.747 2.943 -9.945 1.00 0.00 H new ATOM 55 N ASP A 5 -15.410 6.871 -11.186 1.00 0.00 N ATOM 56 CA ASP A 5 -14.370 7.914 -10.985 1.00 0.00 C ATOM 57 C ASP A 5 -13.327 7.387 -9.962 1.00 0.00 C ATOM 58 O ASP A 5 -13.286 7.837 -8.811 1.00 0.00 O ATOM 59 CB ASP A 5 -14.995 9.274 -10.556 1.00 0.00 C ATOM 60 CG ASP A 5 -16.345 9.630 -11.201 1.00 0.00 C ATOM 61 OD1 ASP A 5 -16.354 10.118 -12.353 1.00 0.00 O ATOM 62 OD2 ASP A 5 -17.398 9.424 -10.558 1.00 0.00 O ATOM 0 H ASP A 5 -16.232 6.994 -10.595 1.00 0.00 H new ATOM 0 HA ASP A 5 -13.863 8.112 -11.929 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -15.123 9.267 -9.474 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -14.284 10.067 -10.788 1.00 0.00 H new ATOM 67 N GLN A 6 -12.486 6.435 -10.408 1.00 0.00 N ATOM 68 CA GLN A 6 -11.488 5.756 -9.540 1.00 0.00 C ATOM 69 C GLN A 6 -10.195 6.616 -9.520 1.00 0.00 C ATOM 70 O GLN A 6 -9.739 7.050 -8.456 1.00 0.00 O ATOM 71 CB GLN A 6 -11.233 4.307 -10.044 1.00 0.00 C ATOM 72 CG GLN A 6 -11.963 3.177 -9.279 1.00 0.00 C ATOM 73 CD GLN A 6 -11.916 1.804 -9.972 1.00 0.00 C ATOM 74 OE1 GLN A 6 -12.902 1.068 -9.998 1.00 0.00 O ATOM 75 NE2 GLN A 6 -10.782 1.432 -10.547 1.00 0.00 N ATOM 0 H GLN A 6 -12.474 6.111 -11.375 1.00 0.00 H new ATOM 0 HA GLN A 6 -11.859 5.666 -8.519 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -11.524 4.253 -11.093 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -10.161 4.113 -10.000 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -11.523 3.084 -8.286 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -13.005 3.464 -9.140 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -9.970 2.049 -10.520 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -10.721 0.529 -11.017 1.00 0.00 H new ATOM 84 N GLN A 7 -9.612 6.839 -10.713 1.00 0.00 N ATOM 85 CA GLN A 7 -8.313 7.547 -10.868 1.00 0.00 C ATOM 86 C GLN A 7 -8.526 9.054 -10.561 1.00 0.00 C ATOM 87 O GLN A 7 -7.607 9.737 -10.089 1.00 0.00 O ATOM 88 CB GLN A 7 -7.741 7.377 -12.305 1.00 0.00 C ATOM 89 CG GLN A 7 -8.357 8.284 -13.394 1.00 0.00 C ATOM 90 CD GLN A 7 -9.136 7.488 -14.455 1.00 0.00 C ATOM 91 OE1 GLN A 7 -8.551 6.865 -15.341 1.00 0.00 O ATOM 92 NE2 GLN A 7 -10.459 7.484 -14.389 1.00 0.00 N ATOM 0 H GLN A 7 -10.021 6.537 -11.597 1.00 0.00 H new ATOM 0 HA GLN A 7 -7.593 7.116 -10.172 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -6.667 7.563 -12.271 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -7.876 6.338 -12.607 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -9.024 9.007 -12.925 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -7.564 8.851 -13.881 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -10.934 8.003 -13.651 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -11.002 6.962 -15.076 1.00 0.00 H new ATOM 101 N ALA A 8 -9.741 9.562 -10.838 1.00 0.00 N ATOM 102 CA ALA A 8 -10.099 10.987 -10.602 1.00 0.00 C ATOM 103 C ALA A 8 -9.914 11.343 -9.102 1.00 0.00 C ATOM 104 O ALA A 8 -9.569 12.481 -8.762 1.00 0.00 O ATOM 105 CB ALA A 8 -11.545 11.229 -11.076 1.00 0.00 C ATOM 0 H ALA A 8 -10.502 9.007 -11.229 1.00 0.00 H new ATOM 0 HA ALA A 8 -9.438 11.639 -11.173 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -11.814 12.272 -10.906 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -11.622 11.003 -12.140 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -12.224 10.584 -10.518 1.00 0.00 H new ATOM 111 N GLU A 9 -10.177 10.362 -8.218 1.00 0.00 N ATOM 112 CA GLU A 9 -10.142 10.558 -6.745 1.00 0.00 C ATOM 113 C GLU A 9 -8.668 10.727 -6.287 1.00 0.00 C ATOM 114 O GLU A 9 -8.317 11.722 -5.642 1.00 0.00 O ATOM 115 CB GLU A 9 -10.849 9.394 -5.991 1.00 0.00 C ATOM 116 CG GLU A 9 -12.394 9.367 -6.058 1.00 0.00 C ATOM 117 CD GLU A 9 -13.058 10.136 -4.914 1.00 0.00 C ATOM 118 OE1 GLU A 9 -12.412 10.335 -3.861 1.00 0.00 O ATOM 119 OE2 GLU A 9 -14.233 10.543 -5.059 1.00 0.00 O ATOM 0 H GLU A 9 -10.420 9.412 -8.498 1.00 0.00 H new ATOM 0 HA GLU A 9 -10.696 11.463 -6.496 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -10.474 8.451 -6.389 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -10.554 9.437 -4.943 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -12.718 9.791 -7.009 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -12.735 8.332 -6.038 1.00 0.00 H new ATOM 126 N ALA A 10 -7.824 9.727 -6.603 1.00 0.00 N ATOM 127 CA ALA A 10 -6.387 9.725 -6.217 1.00 0.00 C ATOM 128 C ALA A 10 -5.684 11.003 -6.751 1.00 0.00 C ATOM 129 O ALA A 10 -4.727 11.496 -6.144 1.00 0.00 O ATOM 130 CB ALA A 10 -5.725 8.439 -6.751 1.00 0.00 C ATOM 0 H ALA A 10 -8.109 8.901 -7.129 1.00 0.00 H new ATOM 0 HA ALA A 10 -6.291 9.736 -5.131 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -4.671 8.430 -6.472 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -6.222 7.569 -6.322 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -5.813 8.408 -7.837 1.00 0.00 H new ATOM 136 N ARG A 11 -6.156 11.503 -7.908 1.00 0.00 N ATOM 137 CA ARG A 11 -5.534 12.652 -8.619 1.00 0.00 C ATOM 138 C ARG A 11 -5.779 13.930 -7.771 1.00 0.00 C ATOM 139 O ARG A 11 -4.829 14.571 -7.306 1.00 0.00 O ATOM 140 CB ARG A 11 -6.126 12.796 -10.050 1.00 0.00 C ATOM 141 CG ARG A 11 -6.255 14.249 -10.564 1.00 0.00 C ATOM 142 CD ARG A 11 -6.099 14.355 -12.093 1.00 0.00 C ATOM 143 NE ARG A 11 -6.643 13.162 -12.788 1.00 0.00 N ATOM 144 CZ ARG A 11 -7.918 13.026 -13.205 1.00 0.00 C ATOM 145 NH1 ARG A 11 -8.630 14.077 -13.588 1.00 0.00 N ATOM 146 NH2 ARG A 11 -8.482 11.829 -13.302 1.00 0.00 N ATOM 0 H ARG A 11 -6.978 11.127 -8.381 1.00 0.00 H new ATOM 0 HA ARG A 11 -4.462 12.492 -8.735 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -5.499 12.236 -10.744 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -7.112 12.332 -10.067 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -7.227 14.648 -10.274 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -5.499 14.869 -10.082 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -6.612 15.248 -12.449 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -5.045 14.472 -12.343 1.00 0.00 H new ATOM 0 HE ARG A 11 -6.004 12.386 -12.963 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -8.214 15.008 -13.570 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -9.593 13.954 -13.900 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -7.950 10.993 -13.059 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -9.448 11.744 -13.619 1.00 0.00 H new ATOM 160 N ALA A 12 -7.065 14.300 -7.608 1.00 0.00 N ATOM 161 CA ALA A 12 -7.469 15.496 -6.822 1.00 0.00 C ATOM 162 C ALA A 12 -6.714 15.514 -5.464 1.00 0.00 C ATOM 163 O ALA A 12 -6.299 16.577 -4.987 1.00 0.00 O ATOM 164 CB ALA A 12 -8.998 15.488 -6.628 1.00 0.00 C ATOM 0 H ALA A 12 -7.850 13.788 -8.011 1.00 0.00 H new ATOM 0 HA ALA A 12 -7.202 16.406 -7.359 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -9.296 16.364 -6.052 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -9.488 15.509 -7.601 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -9.292 14.585 -6.093 1.00 0.00 H new ATOM 170 N PHE A 13 -6.571 14.328 -4.844 1.00 0.00 N ATOM 171 CA PHE A 13 -5.902 14.177 -3.525 1.00 0.00 C ATOM 172 C PHE A 13 -4.450 14.723 -3.614 1.00 0.00 C ATOM 173 O PHE A 13 -4.063 15.619 -2.855 1.00 0.00 O ATOM 174 CB PHE A 13 -5.971 12.685 -3.088 1.00 0.00 C ATOM 175 CG PHE A 13 -5.644 12.420 -1.605 1.00 0.00 C ATOM 176 CD1 PHE A 13 -4.762 13.258 -0.912 1.00 0.00 C ATOM 177 CD2 PHE A 13 -6.215 11.328 -0.940 1.00 0.00 C ATOM 178 CE1 PHE A 13 -4.459 13.008 0.424 1.00 0.00 C ATOM 179 CE2 PHE A 13 -5.911 11.081 0.396 1.00 0.00 C ATOM 180 CZ PHE A 13 -5.036 11.922 1.078 1.00 0.00 C ATOM 0 H PHE A 13 -6.911 13.449 -5.234 1.00 0.00 H new ATOM 0 HA PHE A 13 -6.411 14.761 -2.758 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -6.972 12.308 -3.296 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -5.280 12.110 -3.704 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -4.315 14.102 -1.416 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -6.895 10.674 -1.466 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -3.776 13.656 0.953 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -6.354 10.237 0.903 1.00 0.00 H new ATOM 0 HZ PHE A 13 -4.804 11.732 2.116 1.00 0.00 H new ATOM 190 N LEU A 14 -3.664 14.164 -4.554 1.00 0.00 N ATOM 191 CA LEU A 14 -2.222 14.489 -4.710 1.00 0.00 C ATOM 192 C LEU A 14 -2.115 15.831 -5.484 1.00 0.00 C ATOM 193 O LEU A 14 -3.110 16.335 -6.017 1.00 0.00 O ATOM 194 CB LEU A 14 -1.467 13.337 -5.439 1.00 0.00 C ATOM 195 CG LEU A 14 -1.777 11.880 -4.989 1.00 0.00 C ATOM 196 CD1 LEU A 14 -1.762 10.881 -6.164 1.00 0.00 C ATOM 197 CD2 LEU A 14 -0.797 11.414 -3.893 1.00 0.00 C ATOM 0 H LEU A 14 -4.003 13.477 -5.227 1.00 0.00 H new ATOM 0 HA LEU A 14 -1.749 14.595 -3.734 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.684 13.414 -6.504 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.397 13.506 -5.318 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.788 11.896 -4.581 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.984 9.880 -5.794 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.514 11.171 -6.898 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.778 10.884 -6.632 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.039 10.393 -3.599 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.222 11.449 -4.277 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.881 12.070 -3.027 1.00 0.00 H new ATOM 209 N SER A 15 -0.887 16.379 -5.558 1.00 0.00 N ATOM 210 CA SER A 15 -0.595 17.621 -6.322 1.00 0.00 C ATOM 211 C SER A 15 0.055 17.259 -7.685 1.00 0.00 C ATOM 212 O SER A 15 0.122 16.083 -8.062 1.00 0.00 O ATOM 213 CB SER A 15 0.301 18.550 -5.471 1.00 0.00 C ATOM 214 OG SER A 15 -0.031 18.469 -4.089 1.00 0.00 O ATOM 0 H SER A 15 -0.070 15.981 -5.095 1.00 0.00 H new ATOM 0 HA SER A 15 -1.518 18.159 -6.537 1.00 0.00 H new ATOM 0 HB2 SER A 15 1.347 18.278 -5.612 1.00 0.00 H new ATOM 0 HB3 SER A 15 0.190 19.579 -5.814 1.00 0.00 H new ATOM 0 HG SER A 15 0.553 19.066 -3.577 1.00 0.00 H new ATOM 220 N GLU A 16 0.523 18.289 -8.415 1.00 0.00 N ATOM 221 CA GLU A 16 1.168 18.118 -9.744 1.00 0.00 C ATOM 222 C GLU A 16 2.625 17.622 -9.529 1.00 0.00 C ATOM 223 O GLU A 16 3.134 16.812 -10.313 1.00 0.00 O ATOM 224 CB GLU A 16 1.075 19.438 -10.562 1.00 0.00 C ATOM 225 CG GLU A 16 1.280 19.319 -12.091 1.00 0.00 C ATOM 226 CD GLU A 16 2.738 19.460 -12.541 1.00 0.00 C ATOM 227 OE1 GLU A 16 3.508 20.189 -11.877 1.00 0.00 O ATOM 228 OE2 GLU A 16 3.121 18.841 -13.558 1.00 0.00 O ATOM 0 H GLU A 16 0.468 19.260 -8.108 1.00 0.00 H new ATOM 0 HA GLU A 16 0.649 17.364 -10.336 1.00 0.00 H new ATOM 0 HB2 GLU A 16 0.096 19.882 -10.383 1.00 0.00 H new ATOM 0 HB3 GLU A 16 1.817 20.134 -10.172 1.00 0.00 H new ATOM 0 HG2 GLU A 16 0.901 18.353 -12.423 1.00 0.00 H new ATOM 0 HG3 GLU A 16 0.683 20.084 -12.587 1.00 0.00 H new ATOM 235 N GLU A 17 3.273 18.125 -8.458 1.00 0.00 N ATOM 236 CA GLU A 17 4.705 17.832 -8.175 1.00 0.00 C ATOM 237 C GLU A 17 4.805 16.382 -7.631 1.00 0.00 C ATOM 238 O GLU A 17 5.782 15.672 -7.898 1.00 0.00 O ATOM 239 CB GLU A 17 5.319 18.897 -7.219 1.00 0.00 C ATOM 240 CG GLU A 17 5.446 18.495 -5.731 1.00 0.00 C ATOM 241 CD GLU A 17 5.553 19.680 -4.766 1.00 0.00 C ATOM 242 OE1 GLU A 17 4.829 20.682 -4.955 1.00 0.00 O ATOM 243 OE2 GLU A 17 6.359 19.612 -3.811 1.00 0.00 O ATOM 0 H GLU A 17 2.832 18.737 -7.771 1.00 0.00 H new ATOM 0 HA GLU A 17 5.298 17.895 -9.087 1.00 0.00 H new ATOM 0 HB2 GLU A 17 6.311 19.156 -7.589 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.711 19.800 -7.278 1.00 0.00 H new ATOM 0 HG2 GLU A 17 4.581 17.893 -5.454 1.00 0.00 H new ATOM 0 HG3 GLU A 17 6.326 17.863 -5.611 1.00 0.00 H new ATOM 250 N MET A 18 3.787 15.961 -6.858 1.00 0.00 N ATOM 251 CA MET A 18 3.771 14.634 -6.185 1.00 0.00 C ATOM 252 C MET A 18 3.771 13.540 -7.287 1.00 0.00 C ATOM 253 O MET A 18 4.358 12.466 -7.108 1.00 0.00 O ATOM 254 CB MET A 18 2.561 14.501 -5.219 1.00 0.00 C ATOM 255 CG MET A 18 2.622 15.360 -3.942 1.00 0.00 C ATOM 256 SD MET A 18 3.594 14.517 -2.674 1.00 0.00 S ATOM 257 CE MET A 18 2.405 14.429 -1.318 1.00 0.00 C ATOM 0 H MET A 18 2.954 16.522 -6.678 1.00 0.00 H new ATOM 0 HA MET A 18 4.657 14.517 -5.561 1.00 0.00 H new ATOM 0 HB2 MET A 18 1.654 14.761 -5.765 1.00 0.00 H new ATOM 0 HB3 MET A 18 2.468 13.455 -4.926 1.00 0.00 H new ATOM 0 HG2 MET A 18 3.066 16.330 -4.167 1.00 0.00 H new ATOM 0 HG3 MET A 18 1.614 15.549 -3.573 1.00 0.00 H new ATOM 0 HE1 MET A 18 2.864 13.932 -0.463 1.00 0.00 H new ATOM 0 HE2 MET A 18 2.103 15.437 -1.033 1.00 0.00 H new ATOM 0 HE3 MET A 18 1.529 13.865 -1.638 1.00 0.00 H new ATOM 267 N ILE A 19 3.091 13.825 -8.414 1.00 0.00 N ATOM 268 CA ILE A 19 2.947 12.869 -9.545 1.00 0.00 C ATOM 269 C ILE A 19 4.378 12.640 -10.105 1.00 0.00 C ATOM 270 O ILE A 19 4.742 11.512 -10.462 1.00 0.00 O ATOM 271 CB ILE A 19 1.894 13.363 -10.606 1.00 0.00 C ATOM 272 CG1 ILE A 19 0.436 12.917 -10.264 1.00 0.00 C ATOM 273 CG2 ILE A 19 2.256 12.929 -12.052 1.00 0.00 C ATOM 274 CD1 ILE A 19 -0.130 13.436 -8.932 1.00 0.00 C ATOM 0 H ILE A 19 2.625 14.719 -8.572 1.00 0.00 H new ATOM 0 HA ILE A 19 2.535 11.913 -9.221 1.00 0.00 H new ATOM 0 HB ILE A 19 1.932 14.451 -10.558 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.222 13.245 -11.069 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.404 11.828 -10.250 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.497 13.296 -12.743 1.00 0.00 H new ATOM 0 HG22 ILE A 19 3.226 13.345 -12.325 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.300 11.841 -12.105 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -1.146 13.064 -8.799 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.495 13.086 -8.110 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -0.141 14.526 -8.941 1.00 0.00 H new ATOM 286 N ALA A 20 5.166 13.727 -10.204 1.00 0.00 N ATOM 287 CA ALA A 20 6.561 13.673 -10.720 1.00 0.00 C ATOM 288 C ALA A 20 7.361 12.568 -9.978 1.00 0.00 C ATOM 289 O ALA A 20 8.300 11.988 -10.536 1.00 0.00 O ATOM 290 CB ALA A 20 7.211 15.061 -10.559 1.00 0.00 C ATOM 0 H ALA A 20 4.864 14.663 -9.933 1.00 0.00 H new ATOM 0 HA ALA A 20 6.561 13.416 -11.779 1.00 0.00 H new ATOM 0 HB1 ALA A 20 8.234 15.030 -10.935 1.00 0.00 H new ATOM 0 HB2 ALA A 20 6.639 15.798 -11.123 1.00 0.00 H new ATOM 0 HB3 ALA A 20 7.220 15.338 -9.505 1.00 0.00 H new ATOM 296 N GLU A 21 6.991 12.314 -8.709 1.00 0.00 N ATOM 297 CA GLU A 21 7.669 11.303 -7.855 1.00 0.00 C ATOM 298 C GLU A 21 7.467 9.904 -8.498 1.00 0.00 C ATOM 299 O GLU A 21 8.415 9.117 -8.614 1.00 0.00 O ATOM 300 CB GLU A 21 7.150 11.398 -6.391 1.00 0.00 C ATOM 301 CG GLU A 21 6.157 10.301 -5.937 1.00 0.00 C ATOM 302 CD GLU A 21 5.806 10.351 -4.447 1.00 0.00 C ATOM 303 OE1 GLU A 21 4.852 11.068 -4.073 1.00 0.00 O ATOM 304 OE2 GLU A 21 6.486 9.676 -3.642 1.00 0.00 O ATOM 0 H GLU A 21 6.221 12.795 -8.244 1.00 0.00 H new ATOM 0 HA GLU A 21 8.741 11.490 -7.799 1.00 0.00 H new ATOM 0 HB2 GLU A 21 8.010 11.377 -5.722 1.00 0.00 H new ATOM 0 HB3 GLU A 21 6.669 12.368 -6.262 1.00 0.00 H new ATOM 0 HG2 GLU A 21 5.240 10.394 -6.518 1.00 0.00 H new ATOM 0 HG3 GLU A 21 6.582 9.324 -6.166 1.00 0.00 H new ATOM 311 N PHE A 22 6.212 9.600 -8.884 1.00 0.00 N ATOM 312 CA PHE A 22 5.850 8.299 -9.506 1.00 0.00 C ATOM 313 C PHE A 22 5.793 8.457 -11.050 1.00 0.00 C ATOM 314 O PHE A 22 5.113 7.669 -11.726 1.00 0.00 O ATOM 315 CB PHE A 22 4.496 7.781 -8.926 1.00 0.00 C ATOM 316 CG PHE A 22 4.322 7.938 -7.402 1.00 0.00 C ATOM 317 CD1 PHE A 22 5.122 7.203 -6.519 1.00 0.00 C ATOM 318 CD2 PHE A 22 3.344 8.797 -6.886 1.00 0.00 C ATOM 319 CE1 PHE A 22 4.910 7.286 -5.145 1.00 0.00 C ATOM 320 CE2 PHE A 22 3.133 8.875 -5.511 1.00 0.00 C ATOM 321 CZ PHE A 22 3.898 8.100 -4.644 1.00 0.00 C ATOM 0 H PHE A 22 5.424 10.238 -8.777 1.00 0.00 H new ATOM 0 HA PHE A 22 6.611 7.555 -9.270 1.00 0.00 H new ATOM 0 HB2 PHE A 22 3.682 8.309 -9.423 1.00 0.00 H new ATOM 0 HB3 PHE A 22 4.393 6.726 -9.179 1.00 0.00 H new ATOM 0 HD1 PHE A 22 5.907 6.569 -6.905 1.00 0.00 H new ATOM 0 HD2 PHE A 22 2.751 9.401 -7.556 1.00 0.00 H new ATOM 0 HE1 PHE A 22 5.531 6.718 -4.468 1.00 0.00 H new ATOM 0 HE2 PHE A 22 2.376 9.537 -5.118 1.00 0.00 H new ATOM 0 HZ PHE A 22 3.706 8.130 -3.582 1.00 0.00 H new ATOM 331 N LYS A 23 6.499 9.462 -11.599 1.00 0.00 N ATOM 332 CA LYS A 23 6.628 9.668 -13.067 1.00 0.00 C ATOM 333 C LYS A 23 7.853 8.849 -13.561 1.00 0.00 C ATOM 334 O LYS A 23 7.798 8.196 -14.609 1.00 0.00 O ATOM 335 CB LYS A 23 6.789 11.175 -13.423 1.00 0.00 C ATOM 336 CG LYS A 23 6.107 11.665 -14.724 1.00 0.00 C ATOM 337 CD LYS A 23 4.876 12.572 -14.512 1.00 0.00 C ATOM 338 CE LYS A 23 4.542 13.418 -15.754 1.00 0.00 C ATOM 339 NZ LYS A 23 4.899 12.716 -16.999 1.00 0.00 N ATOM 0 H LYS A 23 6.998 10.158 -11.045 1.00 0.00 H new ATOM 0 HA LYS A 23 5.720 9.327 -13.564 1.00 0.00 H new ATOM 0 HB2 LYS A 23 6.398 11.763 -12.593 1.00 0.00 H new ATOM 0 HB3 LYS A 23 7.854 11.394 -13.495 1.00 0.00 H new ATOM 0 HG2 LYS A 23 6.841 12.207 -15.320 1.00 0.00 H new ATOM 0 HG3 LYS A 23 5.803 10.796 -15.307 1.00 0.00 H new ATOM 0 HD2 LYS A 23 4.015 11.955 -14.255 1.00 0.00 H new ATOM 0 HD3 LYS A 23 5.058 13.233 -13.665 1.00 0.00 H new ATOM 0 HE2 LYS A 23 3.478 13.652 -15.760 1.00 0.00 H new ATOM 0 HE3 LYS A 23 5.077 14.366 -15.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 4.374 13.132 -17.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 5.920 12.811 -17.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 4.655 11.709 -16.912 1.00 0.00 H new ATOM 353 N ALA A 24 8.963 8.923 -12.803 1.00 0.00 N ATOM 354 CA ALA A 24 10.254 8.293 -13.190 1.00 0.00 C ATOM 355 C ALA A 24 10.203 6.764 -12.922 1.00 0.00 C ATOM 356 O ALA A 24 10.496 5.953 -13.809 1.00 0.00 O ATOM 357 CB ALA A 24 11.399 8.975 -12.415 1.00 0.00 C ATOM 0 H ALA A 24 8.998 9.416 -11.911 1.00 0.00 H new ATOM 0 HA ALA A 24 10.434 8.428 -14.256 1.00 0.00 H new ATOM 0 HB1 ALA A 24 12.349 8.519 -12.693 1.00 0.00 H new ATOM 0 HB2 ALA A 24 11.421 10.037 -12.659 1.00 0.00 H new ATOM 0 HB3 ALA A 24 11.237 8.852 -11.344 1.00 0.00 H new ATOM 363 N ALA A 25 9.855 6.390 -11.677 1.00 0.00 N ATOM 364 CA ALA A 25 9.849 4.975 -11.223 1.00 0.00 C ATOM 365 C ALA A 25 8.726 4.165 -11.930 1.00 0.00 C ATOM 366 O ALA A 25 8.740 2.926 -11.878 1.00 0.00 O ATOM 367 CB ALA A 25 9.691 4.945 -9.688 1.00 0.00 C ATOM 0 H ALA A 25 9.570 7.052 -10.955 1.00 0.00 H new ATOM 0 HA ALA A 25 10.793 4.501 -11.493 1.00 0.00 H new ATOM 0 HB1 ALA A 25 9.685 3.911 -9.343 1.00 0.00 H new ATOM 0 HB2 ALA A 25 10.523 5.477 -9.226 1.00 0.00 H new ATOM 0 HB3 ALA A 25 8.753 5.426 -9.409 1.00 0.00 H new ATOM 373 N PHE A 26 7.756 4.859 -12.553 1.00 0.00 N ATOM 374 CA PHE A 26 6.578 4.209 -13.191 1.00 0.00 C ATOM 375 C PHE A 26 7.084 3.379 -14.404 1.00 0.00 C ATOM 376 O PHE A 26 6.731 2.204 -14.556 1.00 0.00 O ATOM 377 CB PHE A 26 5.502 5.256 -13.608 1.00 0.00 C ATOM 378 CG PHE A 26 4.459 4.749 -14.630 1.00 0.00 C ATOM 379 CD1 PHE A 26 3.512 3.789 -14.256 1.00 0.00 C ATOM 380 CD2 PHE A 26 4.435 5.264 -15.932 1.00 0.00 C ATOM 381 CE1 PHE A 26 2.549 3.359 -15.167 1.00 0.00 C ATOM 382 CE2 PHE A 26 3.471 4.833 -16.841 1.00 0.00 C ATOM 383 CZ PHE A 26 2.531 3.880 -16.458 1.00 0.00 C ATOM 0 H PHE A 26 7.758 5.876 -12.633 1.00 0.00 H new ATOM 0 HA PHE A 26 6.087 3.547 -12.477 1.00 0.00 H new ATOM 0 HB2 PHE A 26 4.978 5.592 -12.713 1.00 0.00 H new ATOM 0 HB3 PHE A 26 6.007 6.126 -14.028 1.00 0.00 H new ATOM 0 HD1 PHE A 26 3.527 3.379 -13.257 1.00 0.00 H new ATOM 0 HD2 PHE A 26 5.167 5.999 -16.233 1.00 0.00 H new ATOM 0 HE1 PHE A 26 1.817 2.622 -14.872 1.00 0.00 H new ATOM 0 HE2 PHE A 26 3.453 5.238 -17.842 1.00 0.00 H new ATOM 0 HZ PHE A 26 1.786 3.544 -17.164 1.00 0.00 H new ATOM 393 N ASP A 27 7.896 4.016 -15.267 1.00 0.00 N ATOM 394 CA ASP A 27 8.447 3.373 -16.489 1.00 0.00 C ATOM 395 C ASP A 27 9.462 2.277 -16.061 1.00 0.00 C ATOM 396 O ASP A 27 9.552 1.221 -16.698 1.00 0.00 O ATOM 397 CB ASP A 27 9.069 4.419 -17.459 1.00 0.00 C ATOM 398 CG ASP A 27 8.080 5.183 -18.356 1.00 0.00 C ATOM 399 OD1 ASP A 27 6.915 4.745 -18.481 1.00 0.00 O ATOM 400 OD2 ASP A 27 8.468 6.219 -18.941 1.00 0.00 O ATOM 0 H ASP A 27 8.191 4.985 -15.145 1.00 0.00 H new ATOM 0 HA ASP A 27 7.640 2.901 -17.050 1.00 0.00 H new ATOM 0 HB2 ASP A 27 9.627 5.145 -16.868 1.00 0.00 H new ATOM 0 HB3 ASP A 27 9.788 3.908 -18.099 1.00 0.00 H new ATOM 405 N MET A 28 10.216 2.549 -14.976 1.00 0.00 N ATOM 406 CA MET A 28 11.266 1.624 -14.470 1.00 0.00 C ATOM 407 C MET A 28 10.577 0.279 -14.111 1.00 0.00 C ATOM 408 O MET A 28 11.137 -0.799 -14.341 1.00 0.00 O ATOM 409 CB MET A 28 12.041 2.226 -13.263 1.00 0.00 C ATOM 410 CG MET A 28 13.518 1.808 -13.134 1.00 0.00 C ATOM 411 SD MET A 28 13.630 0.077 -12.630 1.00 0.00 S ATOM 412 CE MET A 28 12.524 0.050 -11.204 1.00 0.00 C ATOM 0 H MET A 28 10.121 3.404 -14.428 1.00 0.00 H new ATOM 0 HA MET A 28 12.019 1.459 -15.241 1.00 0.00 H new ATOM 0 HB2 MET A 28 11.996 3.313 -13.333 1.00 0.00 H new ATOM 0 HB3 MET A 28 11.523 1.944 -12.347 1.00 0.00 H new ATOM 0 HG2 MET A 28 14.029 1.952 -14.086 1.00 0.00 H new ATOM 0 HG3 MET A 28 14.021 2.441 -12.403 1.00 0.00 H new ATOM 0 HE1 MET A 28 12.841 -0.731 -10.513 1.00 0.00 H new ATOM 0 HE2 MET A 28 12.557 1.016 -10.700 1.00 0.00 H new ATOM 0 HE3 MET A 28 11.506 -0.151 -11.537 1.00 0.00 H new ATOM 422 N PHE A 29 9.346 0.364 -13.575 1.00 0.00 N ATOM 423 CA PHE A 29 8.530 -0.826 -13.216 1.00 0.00 C ATOM 424 C PHE A 29 8.032 -1.492 -14.528 1.00 0.00 C ATOM 425 O PHE A 29 7.896 -2.719 -14.602 1.00 0.00 O ATOM 426 CB PHE A 29 7.353 -0.424 -12.279 1.00 0.00 C ATOM 427 CG PHE A 29 6.603 -1.598 -11.619 1.00 0.00 C ATOM 428 CD1 PHE A 29 7.196 -2.325 -10.579 1.00 0.00 C ATOM 429 CD2 PHE A 29 5.313 -1.940 -12.044 1.00 0.00 C ATOM 430 CE1 PHE A 29 6.500 -3.361 -9.960 1.00 0.00 C ATOM 431 CE2 PHE A 29 4.620 -2.977 -11.423 1.00 0.00 C ATOM 432 CZ PHE A 29 5.212 -3.682 -10.377 1.00 0.00 C ATOM 0 H PHE A 29 8.884 1.252 -13.377 1.00 0.00 H new ATOM 0 HA PHE A 29 9.133 -1.546 -12.662 1.00 0.00 H new ATOM 0 HB2 PHE A 29 7.741 0.224 -11.494 1.00 0.00 H new ATOM 0 HB3 PHE A 29 6.638 0.165 -12.854 1.00 0.00 H new ATOM 0 HD1 PHE A 29 8.197 -2.081 -10.256 1.00 0.00 H new ATOM 0 HD2 PHE A 29 4.853 -1.397 -12.857 1.00 0.00 H new ATOM 0 HE1 PHE A 29 6.961 -3.915 -9.156 1.00 0.00 H new ATOM 0 HE2 PHE A 29 3.624 -3.234 -11.752 1.00 0.00 H new ATOM 0 HZ PHE A 29 4.670 -4.479 -9.889 1.00 0.00 H new ATOM 442 N ASP A 30 7.793 -0.664 -15.562 1.00 0.00 N ATOM 443 CA ASP A 30 7.372 -1.141 -16.906 1.00 0.00 C ATOM 444 C ASP A 30 8.587 -1.818 -17.597 1.00 0.00 C ATOM 445 O ASP A 30 9.738 -1.417 -17.386 1.00 0.00 O ATOM 446 CB ASP A 30 6.764 0.011 -17.759 1.00 0.00 C ATOM 447 CG ASP A 30 5.796 -0.412 -18.877 1.00 0.00 C ATOM 448 OD1 ASP A 30 5.787 -1.606 -19.252 1.00 0.00 O ATOM 449 OD2 ASP A 30 5.049 0.451 -19.388 1.00 0.00 O ATOM 0 H ASP A 30 7.884 0.350 -15.497 1.00 0.00 H new ATOM 0 HA ASP A 30 6.576 -1.878 -16.801 1.00 0.00 H new ATOM 0 HB2 ASP A 30 6.238 0.692 -17.090 1.00 0.00 H new ATOM 0 HB3 ASP A 30 7.582 0.574 -18.209 1.00 0.00 H new ATOM 454 N ALA A 31 8.312 -2.858 -18.407 1.00 0.00 N ATOM 455 CA ALA A 31 9.360 -3.614 -19.143 1.00 0.00 C ATOM 456 C ALA A 31 9.605 -2.962 -20.532 1.00 0.00 C ATOM 457 O ALA A 31 10.746 -2.884 -21.001 1.00 0.00 O ATOM 458 CB ALA A 31 8.928 -5.088 -19.266 1.00 0.00 C ATOM 0 H ALA A 31 7.366 -3.201 -18.573 1.00 0.00 H new ATOM 0 HA ALA A 31 10.303 -3.581 -18.597 1.00 0.00 H new ATOM 0 HB1 ALA A 31 9.693 -5.647 -19.805 1.00 0.00 H new ATOM 0 HB2 ALA A 31 8.800 -5.514 -18.271 1.00 0.00 H new ATOM 0 HB3 ALA A 31 7.985 -5.147 -19.809 1.00 0.00 H new ATOM 464 N ASP A 32 8.517 -2.474 -21.158 1.00 0.00 N ATOM 465 CA ASP A 32 8.567 -1.813 -22.489 1.00 0.00 C ATOM 466 C ASP A 32 8.763 -0.287 -22.280 1.00 0.00 C ATOM 467 O ASP A 32 9.774 0.286 -22.706 1.00 0.00 O ATOM 468 CB ASP A 32 7.308 -2.145 -23.342 1.00 0.00 C ATOM 469 CG ASP A 32 5.978 -2.241 -22.574 1.00 0.00 C ATOM 470 OD1 ASP A 32 5.707 -3.298 -21.962 1.00 0.00 O ATOM 471 OD2 ASP A 32 5.206 -1.257 -22.576 1.00 0.00 O ATOM 0 H ASP A 32 7.578 -2.523 -20.762 1.00 0.00 H new ATOM 0 HA ASP A 32 9.413 -2.197 -23.058 1.00 0.00 H new ATOM 0 HB2 ASP A 32 7.205 -1.382 -24.113 1.00 0.00 H new ATOM 0 HB3 ASP A 32 7.479 -3.093 -23.852 1.00 0.00 H new ATOM 476 N GLY A 33 7.797 0.355 -21.596 1.00 0.00 N ATOM 477 CA GLY A 33 7.891 1.790 -21.220 1.00 0.00 C ATOM 478 C GLY A 33 6.778 2.636 -21.895 1.00 0.00 C ATOM 479 O GLY A 33 6.802 2.870 -23.109 1.00 0.00 O ATOM 0 H GLY A 33 6.935 -0.096 -21.288 1.00 0.00 H new ATOM 0 HA2 GLY A 33 7.816 1.888 -20.137 1.00 0.00 H new ATOM 0 HA3 GLY A 33 8.868 2.178 -21.508 1.00 0.00 H new ATOM 483 N GLY A 34 5.816 3.116 -21.081 1.00 0.00 N ATOM 484 CA GLY A 34 4.747 4.031 -21.555 1.00 0.00 C ATOM 485 C GLY A 34 3.563 3.221 -22.140 1.00 0.00 C ATOM 486 O GLY A 34 3.637 2.709 -23.264 1.00 0.00 O ATOM 0 H GLY A 34 5.754 2.887 -20.089 1.00 0.00 H new ATOM 0 HA2 GLY A 34 4.399 4.652 -20.730 1.00 0.00 H new ATOM 0 HA3 GLY A 34 5.146 4.704 -22.314 1.00 0.00 H new ATOM 490 N GLY A 35 2.457 3.137 -21.374 1.00 0.00 N ATOM 491 CA GLY A 35 1.204 2.491 -21.838 1.00 0.00 C ATOM 492 C GLY A 35 0.449 1.858 -20.641 1.00 0.00 C ATOM 493 O GLY A 35 -0.740 2.127 -20.428 1.00 0.00 O ATOM 0 H GLY A 35 2.402 3.509 -20.426 1.00 0.00 H new ATOM 0 HA2 GLY A 35 0.568 3.227 -22.330 1.00 0.00 H new ATOM 0 HA3 GLY A 35 1.435 1.724 -22.578 1.00 0.00 H new ATOM 497 N ASP A 36 1.160 1.015 -19.869 1.00 0.00 N ATOM 498 CA ASP A 36 0.572 0.237 -18.747 1.00 0.00 C ATOM 499 C ASP A 36 1.610 -0.820 -18.275 1.00 0.00 C ATOM 500 O ASP A 36 2.761 -0.822 -18.730 1.00 0.00 O ATOM 501 CB ASP A 36 -0.792 -0.400 -19.143 1.00 0.00 C ATOM 502 CG ASP A 36 -0.840 -1.101 -20.511 1.00 0.00 C ATOM 503 OD1 ASP A 36 -1.155 -0.434 -21.521 1.00 0.00 O ATOM 504 OD2 ASP A 36 -0.556 -2.317 -20.579 1.00 0.00 O ATOM 0 H ASP A 36 2.158 0.850 -20.000 1.00 0.00 H new ATOM 0 HA ASP A 36 0.351 0.905 -17.914 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -1.068 -1.124 -18.377 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -1.552 0.381 -19.131 1.00 0.00 H new ATOM 509 N ILE A 37 1.192 -1.692 -17.339 1.00 0.00 N ATOM 510 CA ILE A 37 2.071 -2.724 -16.724 1.00 0.00 C ATOM 511 C ILE A 37 1.276 -4.049 -16.570 1.00 0.00 C ATOM 512 O ILE A 37 0.444 -4.183 -15.662 1.00 0.00 O ATOM 513 CB ILE A 37 2.751 -2.268 -15.380 1.00 0.00 C ATOM 514 CG1 ILE A 37 3.082 -0.745 -15.278 1.00 0.00 C ATOM 515 CG2 ILE A 37 3.988 -3.144 -15.056 1.00 0.00 C ATOM 516 CD1 ILE A 37 4.122 -0.356 -14.214 1.00 0.00 C ATOM 0 H ILE A 37 0.236 -1.707 -16.982 1.00 0.00 H new ATOM 0 HA ILE A 37 2.910 -2.886 -17.400 1.00 0.00 H new ATOM 0 HB ILE A 37 1.990 -2.426 -14.616 1.00 0.00 H new ATOM 0 HG12 ILE A 37 3.439 -0.404 -16.250 1.00 0.00 H new ATOM 0 HG13 ILE A 37 2.158 -0.205 -15.071 1.00 0.00 H new ATOM 0 HG21 ILE A 37 4.438 -2.807 -14.122 1.00 0.00 H new ATOM 0 HG22 ILE A 37 3.680 -4.185 -14.955 1.00 0.00 H new ATOM 0 HG23 ILE A 37 4.717 -3.057 -15.862 1.00 0.00 H new ATOM 0 HD11 ILE A 37 4.274 0.723 -14.231 1.00 0.00 H new ATOM 0 HD12 ILE A 37 3.765 -0.656 -13.229 1.00 0.00 H new ATOM 0 HD13 ILE A 37 5.065 -0.859 -14.426 1.00 0.00 H new ATOM 528 N SER A 38 1.563 -5.036 -17.441 1.00 0.00 N ATOM 529 CA SER A 38 0.967 -6.396 -17.345 1.00 0.00 C ATOM 530 C SER A 38 1.673 -7.197 -16.216 1.00 0.00 C ATOM 531 O SER A 38 2.566 -6.677 -15.537 1.00 0.00 O ATOM 532 CB SER A 38 1.061 -7.098 -18.719 1.00 0.00 C ATOM 533 OG SER A 38 0.102 -8.145 -18.836 1.00 0.00 O ATOM 0 H SER A 38 2.206 -4.922 -18.225 1.00 0.00 H new ATOM 0 HA SER A 38 -0.089 -6.332 -17.083 1.00 0.00 H new ATOM 0 HB2 SER A 38 0.904 -6.368 -19.513 1.00 0.00 H new ATOM 0 HB3 SER A 38 2.063 -7.504 -18.854 1.00 0.00 H new ATOM 0 HG SER A 38 0.185 -8.568 -19.716 1.00 0.00 H new ATOM 539 N THR A 39 1.233 -8.455 -16.017 1.00 0.00 N ATOM 540 CA THR A 39 1.793 -9.361 -14.980 1.00 0.00 C ATOM 541 C THR A 39 3.198 -9.839 -15.436 1.00 0.00 C ATOM 542 O THR A 39 4.072 -10.111 -14.602 1.00 0.00 O ATOM 543 CB THR A 39 0.832 -10.547 -14.648 1.00 0.00 C ATOM 544 OG1 THR A 39 -0.110 -10.749 -15.699 1.00 0.00 O ATOM 545 CG2 THR A 39 0.047 -10.403 -13.330 1.00 0.00 C ATOM 0 H THR A 39 0.483 -8.876 -16.565 1.00 0.00 H new ATOM 0 HA THR A 39 1.897 -8.811 -14.045 1.00 0.00 H new ATOM 0 HB THR A 39 1.499 -11.402 -14.535 1.00 0.00 H new ATOM 0 HG1 THR A 39 -0.700 -11.497 -15.470 1.00 0.00 H new ATOM 0 HG21 THR A 39 -0.591 -11.275 -13.189 1.00 0.00 H new ATOM 0 HG22 THR A 39 0.746 -10.326 -12.497 1.00 0.00 H new ATOM 0 HG23 THR A 39 -0.570 -9.505 -13.370 1.00 0.00 H new ATOM 553 N LYS A 40 3.405 -9.939 -16.763 1.00 0.00 N ATOM 554 CA LYS A 40 4.698 -10.384 -17.348 1.00 0.00 C ATOM 555 C LYS A 40 5.815 -9.411 -16.879 1.00 0.00 C ATOM 556 O LYS A 40 6.791 -9.827 -16.245 1.00 0.00 O ATOM 557 CB LYS A 40 4.558 -10.480 -18.895 1.00 0.00 C ATOM 558 CG LYS A 40 5.640 -11.305 -19.639 1.00 0.00 C ATOM 559 CD LYS A 40 7.114 -10.838 -19.576 1.00 0.00 C ATOM 560 CE LYS A 40 8.171 -11.787 -20.180 1.00 0.00 C ATOM 561 NZ LYS A 40 8.976 -12.500 -19.172 1.00 0.00 N ATOM 0 H LYS A 40 2.693 -9.718 -17.459 1.00 0.00 H new ATOM 0 HA LYS A 40 4.975 -11.380 -17.003 1.00 0.00 H new ATOM 0 HB2 LYS A 40 3.583 -10.912 -19.123 1.00 0.00 H new ATOM 0 HB3 LYS A 40 4.561 -9.468 -19.301 1.00 0.00 H new ATOM 0 HG2 LYS A 40 5.601 -12.324 -19.253 1.00 0.00 H new ATOM 0 HG3 LYS A 40 5.354 -11.351 -20.690 1.00 0.00 H new ATOM 0 HD2 LYS A 40 7.188 -9.878 -20.086 1.00 0.00 H new ATOM 0 HD3 LYS A 40 7.371 -10.664 -18.531 1.00 0.00 H new ATOM 0 HE2 LYS A 40 7.669 -12.518 -20.814 1.00 0.00 H new ATOM 0 HE3 LYS A 40 8.837 -11.212 -20.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 9.663 -13.117 -19.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 9.483 -11.810 -18.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 8.351 -13.076 -18.573 1.00 0.00 H new ATOM 575 N GLU A 41 5.647 -8.114 -17.196 1.00 0.00 N ATOM 576 CA GLU A 41 6.667 -7.069 -16.912 1.00 0.00 C ATOM 577 C GLU A 41 6.782 -6.878 -15.375 1.00 0.00 C ATOM 578 O GLU A 41 7.869 -6.610 -14.850 1.00 0.00 O ATOM 579 CB GLU A 41 6.339 -5.744 -17.659 1.00 0.00 C ATOM 580 CG GLU A 41 5.919 -5.840 -19.147 1.00 0.00 C ATOM 581 CD GLU A 41 4.768 -4.908 -19.537 1.00 0.00 C ATOM 582 OE1 GLU A 41 4.500 -3.935 -18.798 1.00 0.00 O ATOM 583 OE2 GLU A 41 4.124 -5.146 -20.583 1.00 0.00 O ATOM 0 H GLU A 41 4.809 -7.755 -17.653 1.00 0.00 H new ATOM 0 HA GLU A 41 7.638 -7.390 -17.288 1.00 0.00 H new ATOM 0 HB2 GLU A 41 5.538 -5.243 -17.116 1.00 0.00 H new ATOM 0 HB3 GLU A 41 7.216 -5.100 -17.599 1.00 0.00 H new ATOM 0 HG2 GLU A 41 6.783 -5.613 -19.772 1.00 0.00 H new ATOM 0 HG3 GLU A 41 5.629 -6.868 -19.365 1.00 0.00 H new ATOM 590 N LEU A 42 5.641 -7.004 -14.672 1.00 0.00 N ATOM 591 CA LEU A 42 5.571 -6.861 -13.194 1.00 0.00 C ATOM 592 C LEU A 42 6.701 -7.722 -12.568 1.00 0.00 C ATOM 593 O LEU A 42 7.444 -7.257 -11.695 1.00 0.00 O ATOM 594 CB LEU A 42 4.165 -7.277 -12.664 1.00 0.00 C ATOM 595 CG LEU A 42 3.840 -6.986 -11.170 1.00 0.00 C ATOM 596 CD1 LEU A 42 2.646 -7.834 -10.684 1.00 0.00 C ATOM 597 CD2 LEU A 42 5.052 -7.210 -10.243 1.00 0.00 C ATOM 0 H LEU A 42 4.740 -7.207 -15.105 1.00 0.00 H new ATOM 0 HA LEU A 42 5.715 -5.819 -12.909 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.414 -6.775 -13.274 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.047 -8.348 -12.831 1.00 0.00 H new ATOM 0 HG LEU A 42 3.575 -5.930 -11.117 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.442 -7.609 -9.637 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.766 -7.600 -11.283 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.885 -8.892 -10.788 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.768 -6.992 -9.213 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.380 -8.247 -10.317 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.866 -6.550 -10.542 1.00 0.00 H new ATOM 609 N GLY A 43 6.798 -8.991 -13.007 1.00 0.00 N ATOM 610 CA GLY A 43 7.745 -9.978 -12.430 1.00 0.00 C ATOM 611 C GLY A 43 9.204 -9.456 -12.497 1.00 0.00 C ATOM 612 O GLY A 43 9.991 -9.663 -11.562 1.00 0.00 O ATOM 0 H GLY A 43 6.228 -9.364 -13.766 1.00 0.00 H new ATOM 0 HA2 GLY A 43 7.476 -10.182 -11.394 1.00 0.00 H new ATOM 0 HA3 GLY A 43 7.667 -10.921 -12.971 1.00 0.00 H new ATOM 616 N THR A 44 9.557 -8.809 -13.623 1.00 0.00 N ATOM 617 CA THR A 44 10.943 -8.348 -13.898 1.00 0.00 C ATOM 618 C THR A 44 11.468 -7.562 -12.665 1.00 0.00 C ATOM 619 O THR A 44 12.458 -7.957 -12.036 1.00 0.00 O ATOM 620 CB THR A 44 11.032 -7.522 -15.221 1.00 0.00 C ATOM 621 OG1 THR A 44 11.414 -8.358 -16.311 1.00 0.00 O ATOM 622 CG2 THR A 44 11.997 -6.322 -15.181 1.00 0.00 C ATOM 0 H THR A 44 8.897 -8.589 -14.369 1.00 0.00 H new ATOM 0 HA THR A 44 11.586 -9.214 -14.056 1.00 0.00 H new ATOM 0 HB THR A 44 10.028 -7.119 -15.351 1.00 0.00 H new ATOM 0 HG1 THR A 44 11.463 -7.824 -17.131 1.00 0.00 H new ATOM 0 HG21 THR A 44 11.987 -5.815 -16.146 1.00 0.00 H new ATOM 0 HG22 THR A 44 11.682 -5.627 -14.402 1.00 0.00 H new ATOM 0 HG23 THR A 44 13.006 -6.674 -14.967 1.00 0.00 H new ATOM 630 N VAL A 45 10.807 -6.431 -12.354 1.00 0.00 N ATOM 631 CA VAL A 45 11.236 -5.494 -11.281 1.00 0.00 C ATOM 632 C VAL A 45 11.208 -6.273 -9.938 1.00 0.00 C ATOM 633 O VAL A 45 12.029 -6.016 -9.046 1.00 0.00 O ATOM 634 CB VAL A 45 10.375 -4.181 -11.269 1.00 0.00 C ATOM 635 CG1 VAL A 45 9.868 -3.810 -9.854 1.00 0.00 C ATOM 636 CG2 VAL A 45 11.095 -2.944 -11.861 1.00 0.00 C ATOM 0 H VAL A 45 9.958 -6.135 -12.836 1.00 0.00 H new ATOM 0 HA VAL A 45 12.252 -5.143 -11.461 1.00 0.00 H new ATOM 0 HB VAL A 45 9.532 -4.429 -11.913 1.00 0.00 H new ATOM 0 HG11 VAL A 45 9.279 -2.894 -9.907 1.00 0.00 H new ATOM 0 HG12 VAL A 45 9.248 -4.618 -9.466 1.00 0.00 H new ATOM 0 HG13 VAL A 45 10.720 -3.656 -9.191 1.00 0.00 H new ATOM 0 HG21 VAL A 45 10.432 -2.080 -11.815 1.00 0.00 H new ATOM 0 HG22 VAL A 45 11.998 -2.739 -11.286 1.00 0.00 H new ATOM 0 HG23 VAL A 45 11.363 -3.141 -12.899 1.00 0.00 H new ATOM 646 N MET A 46 10.241 -7.197 -9.791 1.00 0.00 N ATOM 647 CA MET A 46 10.014 -7.944 -8.524 1.00 0.00 C ATOM 648 C MET A 46 11.315 -8.717 -8.173 1.00 0.00 C ATOM 649 O MET A 46 11.637 -8.903 -6.993 1.00 0.00 O ATOM 650 CB MET A 46 8.783 -8.888 -8.635 1.00 0.00 C ATOM 651 CG MET A 46 7.410 -8.231 -8.395 1.00 0.00 C ATOM 652 SD MET A 46 6.945 -8.386 -6.657 1.00 0.00 S ATOM 653 CE MET A 46 7.658 -6.880 -5.964 1.00 0.00 C ATOM 0 H MET A 46 9.594 -7.451 -10.538 1.00 0.00 H new ATOM 0 HA MET A 46 9.784 -7.247 -7.718 1.00 0.00 H new ATOM 0 HB2 MET A 46 8.781 -9.337 -9.628 1.00 0.00 H new ATOM 0 HB3 MET A 46 8.906 -9.700 -7.919 1.00 0.00 H new ATOM 0 HG2 MET A 46 7.447 -7.179 -8.677 1.00 0.00 H new ATOM 0 HG3 MET A 46 6.657 -8.704 -9.025 1.00 0.00 H new ATOM 0 HE1 MET A 46 7.091 -6.581 -5.082 1.00 0.00 H new ATOM 0 HE2 MET A 46 8.695 -7.064 -5.684 1.00 0.00 H new ATOM 0 HE3 MET A 46 7.619 -6.084 -6.707 1.00 0.00 H new ATOM 663 N ARG A 47 12.035 -9.187 -9.209 1.00 0.00 N ATOM 664 CA ARG A 47 13.242 -10.040 -9.045 1.00 0.00 C ATOM 665 C ARG A 47 14.309 -9.261 -8.227 1.00 0.00 C ATOM 666 O ARG A 47 15.056 -9.855 -7.440 1.00 0.00 O ATOM 667 CB ARG A 47 13.798 -10.470 -10.431 1.00 0.00 C ATOM 668 CG ARG A 47 14.577 -11.806 -10.433 1.00 0.00 C ATOM 669 CD ARG A 47 16.074 -11.636 -10.756 1.00 0.00 C ATOM 670 NE ARG A 47 16.846 -12.880 -10.501 1.00 0.00 N ATOM 671 CZ ARG A 47 18.067 -12.929 -9.928 1.00 0.00 C ATOM 672 NH1 ARG A 47 18.745 -11.856 -9.522 1.00 0.00 N ATOM 673 NH2 ARG A 47 18.625 -14.113 -9.759 1.00 0.00 N ATOM 0 H ARG A 47 11.803 -8.991 -10.183 1.00 0.00 H new ATOM 0 HA ARG A 47 12.977 -10.948 -8.504 1.00 0.00 H new ATOM 0 HB2 ARG A 47 12.966 -10.550 -11.131 1.00 0.00 H new ATOM 0 HB3 ARG A 47 14.454 -9.683 -10.803 1.00 0.00 H new ATOM 0 HG2 ARG A 47 14.474 -12.280 -9.457 1.00 0.00 H new ATOM 0 HG3 ARG A 47 14.129 -12.479 -11.163 1.00 0.00 H new ATOM 0 HD2 ARG A 47 16.188 -11.347 -11.801 1.00 0.00 H new ATOM 0 HD3 ARG A 47 16.484 -10.825 -10.154 1.00 0.00 H new ATOM 0 HE ARG A 47 16.421 -13.764 -10.780 1.00 0.00 H new ATOM 0 HH11 ARG A 47 18.344 -10.925 -9.637 1.00 0.00 H new ATOM 0 HH12 ARG A 47 19.665 -11.965 -9.096 1.00 0.00 H new ATOM 0 HH21 ARG A 47 18.134 -14.956 -10.058 1.00 0.00 H new ATOM 0 HH22 ARG A 47 19.547 -14.186 -9.329 1.00 0.00 H new ATOM 687 N MET A 48 14.383 -7.935 -8.454 1.00 0.00 N ATOM 688 CA MET A 48 15.418 -7.062 -7.837 1.00 0.00 C ATOM 689 C MET A 48 15.446 -7.346 -6.310 1.00 0.00 C ATOM 690 O MET A 48 16.501 -7.245 -5.671 1.00 0.00 O ATOM 691 CB MET A 48 15.163 -5.558 -8.146 1.00 0.00 C ATOM 692 CG MET A 48 14.324 -4.787 -7.111 1.00 0.00 C ATOM 693 SD MET A 48 15.312 -3.468 -6.370 1.00 0.00 S ATOM 694 CE MET A 48 14.100 -2.134 -6.267 1.00 0.00 C ATOM 0 H MET A 48 13.736 -7.436 -9.064 1.00 0.00 H new ATOM 0 HA MET A 48 16.394 -7.290 -8.266 1.00 0.00 H new ATOM 0 HB2 MET A 48 16.127 -5.060 -8.246 1.00 0.00 H new ATOM 0 HB3 MET A 48 14.666 -5.486 -9.113 1.00 0.00 H new ATOM 0 HG2 MET A 48 13.440 -4.365 -7.589 1.00 0.00 H new ATOM 0 HG3 MET A 48 13.973 -5.468 -6.336 1.00 0.00 H new ATOM 0 HE1 MET A 48 14.566 -1.252 -5.828 1.00 0.00 H new ATOM 0 HE2 MET A 48 13.738 -1.894 -7.267 1.00 0.00 H new ATOM 0 HE3 MET A 48 13.263 -2.450 -5.644 1.00 0.00 H new ATOM 704 N LEU A 49 14.272 -7.668 -5.736 1.00 0.00 N ATOM 705 CA LEU A 49 14.118 -7.927 -4.279 1.00 0.00 C ATOM 706 C LEU A 49 15.230 -8.917 -3.842 1.00 0.00 C ATOM 707 O LEU A 49 16.144 -8.558 -3.090 1.00 0.00 O ATOM 708 CB LEU A 49 12.694 -8.476 -3.961 1.00 0.00 C ATOM 709 CG LEU A 49 12.106 -8.168 -2.553 1.00 0.00 C ATOM 710 CD1 LEU A 49 11.552 -6.732 -2.445 1.00 0.00 C ATOM 711 CD2 LEU A 49 11.009 -9.182 -2.171 1.00 0.00 C ATOM 0 H LEU A 49 13.402 -7.758 -6.261 1.00 0.00 H new ATOM 0 HA LEU A 49 14.224 -6.999 -3.718 1.00 0.00 H new ATOM 0 HB2 LEU A 49 12.006 -8.080 -4.708 1.00 0.00 H new ATOM 0 HB3 LEU A 49 12.714 -9.558 -4.088 1.00 0.00 H new ATOM 0 HG LEU A 49 12.935 -8.258 -1.851 1.00 0.00 H new ATOM 0 HD11 LEU A 49 11.154 -6.570 -1.443 1.00 0.00 H new ATOM 0 HD12 LEU A 49 12.353 -6.018 -2.638 1.00 0.00 H new ATOM 0 HD13 LEU A 49 10.757 -6.593 -3.178 1.00 0.00 H new ATOM 0 HD21 LEU A 49 10.618 -8.940 -1.183 1.00 0.00 H new ATOM 0 HD22 LEU A 49 10.201 -9.137 -2.902 1.00 0.00 H new ATOM 0 HD23 LEU A 49 11.431 -10.187 -2.158 1.00 0.00 H new ATOM 723 N GLY A 50 15.128 -10.176 -4.313 1.00 0.00 N ATOM 724 CA GLY A 50 16.131 -11.229 -4.010 1.00 0.00 C ATOM 725 C GLY A 50 15.636 -12.604 -4.527 1.00 0.00 C ATOM 726 O GLY A 50 16.418 -13.385 -5.087 1.00 0.00 O ATOM 0 H GLY A 50 14.361 -10.493 -4.906 1.00 0.00 H new ATOM 0 HA2 GLY A 50 17.084 -10.979 -4.476 1.00 0.00 H new ATOM 0 HA3 GLY A 50 16.305 -11.278 -2.935 1.00 0.00 H new ATOM 730 N GLN A 51 14.340 -12.895 -4.304 1.00 0.00 N ATOM 731 CA GLN A 51 13.696 -14.159 -4.748 1.00 0.00 C ATOM 732 C GLN A 51 13.362 -14.029 -6.260 1.00 0.00 C ATOM 733 O GLN A 51 13.725 -13.037 -6.903 1.00 0.00 O ATOM 734 CB GLN A 51 12.438 -14.458 -3.883 1.00 0.00 C ATOM 735 CG GLN A 51 12.298 -15.909 -3.359 1.00 0.00 C ATOM 736 CD GLN A 51 10.846 -16.385 -3.182 1.00 0.00 C ATOM 737 OE1 GLN A 51 10.110 -16.565 -4.152 1.00 0.00 O ATOM 738 NE2 GLN A 51 10.401 -16.593 -1.951 1.00 0.00 N ATOM 0 H GLN A 51 13.706 -12.265 -3.812 1.00 0.00 H new ATOM 0 HA GLN A 51 14.370 -15.005 -4.613 1.00 0.00 H new ATOM 0 HB2 GLN A 51 12.443 -13.783 -3.027 1.00 0.00 H new ATOM 0 HB3 GLN A 51 11.552 -14.219 -4.472 1.00 0.00 H new ATOM 0 HG2 GLN A 51 12.806 -16.582 -4.050 1.00 0.00 H new ATOM 0 HG3 GLN A 51 12.812 -15.987 -2.401 1.00 0.00 H new ATOM 0 HE21 GLN A 51 11.018 -16.441 -1.153 1.00 0.00 H new ATOM 0 HE22 GLN A 51 9.441 -16.905 -1.801 1.00 0.00 H new ATOM 747 N ASN A 52 12.649 -15.033 -6.804 1.00 0.00 N ATOM 748 CA ASN A 52 12.158 -15.011 -8.208 1.00 0.00 C ATOM 749 C ASN A 52 10.878 -15.910 -8.358 1.00 0.00 C ATOM 750 O ASN A 52 11.038 -17.115 -8.584 1.00 0.00 O ATOM 751 CB ASN A 52 13.311 -15.463 -9.146 1.00 0.00 C ATOM 752 CG ASN A 52 13.174 -15.000 -10.612 1.00 0.00 C ATOM 753 OD1 ASN A 52 12.133 -14.488 -11.025 1.00 0.00 O ATOM 754 ND2 ASN A 52 14.207 -15.173 -11.424 1.00 0.00 N ATOM 0 H ASN A 52 12.395 -15.879 -6.293 1.00 0.00 H new ATOM 0 HA ASN A 52 11.861 -14.001 -8.490 1.00 0.00 H new ATOM 0 HB2 ASN A 52 14.253 -15.086 -8.748 1.00 0.00 H new ATOM 0 HB3 ASN A 52 13.370 -16.551 -9.128 1.00 0.00 H new ATOM 0 HD21 ASN A 52 14.144 -14.881 -12.399 1.00 0.00 H new ATOM 0 HD22 ASN A 52 15.066 -15.598 -11.074 1.00 0.00 H new ATOM 761 N PRO A 53 9.615 -15.386 -8.291 1.00 0.00 N ATOM 762 CA PRO A 53 8.383 -16.205 -8.429 1.00 0.00 C ATOM 763 C PRO A 53 8.065 -16.536 -9.913 1.00 0.00 C ATOM 764 O PRO A 53 8.854 -16.230 -10.814 1.00 0.00 O ATOM 765 CB PRO A 53 7.327 -15.315 -7.742 1.00 0.00 C ATOM 766 CG PRO A 53 7.808 -13.873 -7.920 1.00 0.00 C ATOM 767 CD PRO A 53 9.331 -13.968 -7.967 1.00 0.00 C ATOM 0 HA PRO A 53 8.448 -17.195 -7.978 1.00 0.00 H new ATOM 0 HB2 PRO A 53 6.345 -15.457 -8.193 1.00 0.00 H new ATOM 0 HB3 PRO A 53 7.232 -15.567 -6.686 1.00 0.00 H new ATOM 0 HG2 PRO A 53 7.411 -13.435 -8.836 1.00 0.00 H new ATOM 0 HG3 PRO A 53 7.477 -13.242 -7.095 1.00 0.00 H new ATOM 0 HD2 PRO A 53 9.745 -13.300 -8.722 1.00 0.00 H new ATOM 0 HD3 PRO A 53 9.774 -13.684 -7.012 1.00 0.00 H new ATOM 775 N THR A 54 6.907 -17.184 -10.144 1.00 0.00 N ATOM 776 CA THR A 54 6.450 -17.575 -11.505 1.00 0.00 C ATOM 777 C THR A 54 5.369 -16.565 -11.976 1.00 0.00 C ATOM 778 O THR A 54 4.689 -15.938 -11.155 1.00 0.00 O ATOM 779 CB THR A 54 5.957 -19.055 -11.557 1.00 0.00 C ATOM 780 OG1 THR A 54 6.392 -19.688 -12.758 1.00 0.00 O ATOM 781 CG2 THR A 54 4.433 -19.243 -11.445 1.00 0.00 C ATOM 0 H THR A 54 6.261 -17.453 -9.402 1.00 0.00 H new ATOM 0 HA THR A 54 7.292 -17.533 -12.196 1.00 0.00 H new ATOM 0 HB THR A 54 6.400 -19.514 -10.673 1.00 0.00 H new ATOM 0 HG1 THR A 54 6.075 -20.615 -12.772 1.00 0.00 H new ATOM 0 HG21 THR A 54 4.193 -20.305 -11.492 1.00 0.00 H new ATOM 0 HG22 THR A 54 4.085 -18.834 -10.497 1.00 0.00 H new ATOM 0 HG23 THR A 54 3.941 -18.723 -12.267 1.00 0.00 H new ATOM 789 N LYS A 55 5.246 -16.399 -13.307 1.00 0.00 N ATOM 790 CA LYS A 55 4.338 -15.394 -13.921 1.00 0.00 C ATOM 791 C LYS A 55 2.884 -15.718 -13.482 1.00 0.00 C ATOM 792 O LYS A 55 2.075 -14.807 -13.262 1.00 0.00 O ATOM 793 CB LYS A 55 4.511 -15.384 -15.471 1.00 0.00 C ATOM 794 CG LYS A 55 4.081 -16.651 -16.248 1.00 0.00 C ATOM 795 CD LYS A 55 2.556 -16.900 -16.311 1.00 0.00 C ATOM 796 CE LYS A 55 1.689 -15.640 -16.121 1.00 0.00 C ATOM 797 NZ LYS A 55 0.446 -15.660 -16.917 1.00 0.00 N ATOM 0 H LYS A 55 5.767 -16.951 -13.989 1.00 0.00 H new ATOM 0 HA LYS A 55 4.584 -14.389 -13.579 1.00 0.00 H new ATOM 0 HB2 LYS A 55 3.947 -14.540 -15.867 1.00 0.00 H new ATOM 0 HB3 LYS A 55 5.562 -15.196 -15.691 1.00 0.00 H new ATOM 0 HG2 LYS A 55 4.464 -16.580 -17.266 1.00 0.00 H new ATOM 0 HG3 LYS A 55 4.556 -17.518 -15.788 1.00 0.00 H new ATOM 0 HD2 LYS A 55 2.314 -17.349 -17.275 1.00 0.00 H new ATOM 0 HD3 LYS A 55 2.288 -17.627 -15.545 1.00 0.00 H new ATOM 0 HE2 LYS A 55 1.435 -15.538 -15.066 1.00 0.00 H new ATOM 0 HE3 LYS A 55 2.273 -14.761 -16.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -0.091 -14.786 -16.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 0.682 -15.728 -17.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -0.130 -16.480 -16.640 1.00 0.00 H new ATOM 811 N GLU A 56 2.575 -17.019 -13.328 1.00 0.00 N ATOM 812 CA GLU A 56 1.209 -17.495 -12.984 1.00 0.00 C ATOM 813 C GLU A 56 0.892 -17.060 -11.527 1.00 0.00 C ATOM 814 O GLU A 56 -0.243 -16.684 -11.212 1.00 0.00 O ATOM 815 CB GLU A 56 1.096 -19.029 -13.215 1.00 0.00 C ATOM 816 CG GLU A 56 -0.134 -19.518 -14.016 1.00 0.00 C ATOM 817 CD GLU A 56 -1.478 -19.042 -13.455 1.00 0.00 C ATOM 818 OE1 GLU A 56 -1.828 -17.856 -13.646 1.00 0.00 O ATOM 819 OE2 GLU A 56 -2.190 -19.851 -12.819 1.00 0.00 O ATOM 0 H GLU A 56 3.256 -17.771 -13.436 1.00 0.00 H new ATOM 0 HA GLU A 56 0.460 -17.045 -13.635 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.995 -19.363 -13.733 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.087 -19.521 -12.242 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -0.042 -19.176 -15.047 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -0.128 -20.608 -14.040 1.00 0.00 H new ATOM 826 N GLU A 57 1.919 -17.096 -10.657 1.00 0.00 N ATOM 827 CA GLU A 57 1.800 -16.654 -9.242 1.00 0.00 C ATOM 828 C GLU A 57 1.487 -15.134 -9.213 1.00 0.00 C ATOM 829 O GLU A 57 0.749 -14.656 -8.344 1.00 0.00 O ATOM 830 CB GLU A 57 3.073 -17.021 -8.426 1.00 0.00 C ATOM 831 CG GLU A 57 3.149 -18.438 -7.805 1.00 0.00 C ATOM 832 CD GLU A 57 4.048 -18.535 -6.569 1.00 0.00 C ATOM 833 OE1 GLU A 57 4.120 -17.555 -5.795 1.00 0.00 O ATOM 834 OE2 GLU A 57 4.687 -19.592 -6.367 1.00 0.00 O ATOM 0 H GLU A 57 2.851 -17.429 -10.906 1.00 0.00 H new ATOM 0 HA GLU A 57 0.977 -17.181 -8.759 1.00 0.00 H new ATOM 0 HB2 GLU A 57 3.937 -16.894 -9.078 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.174 -16.296 -7.619 1.00 0.00 H new ATOM 0 HG2 GLU A 57 2.143 -18.758 -7.534 1.00 0.00 H new ATOM 0 HG3 GLU A 57 3.513 -19.134 -8.560 1.00 0.00 H new ATOM 841 N LEU A 58 2.035 -14.392 -10.194 1.00 0.00 N ATOM 842 CA LEU A 58 1.824 -12.925 -10.317 1.00 0.00 C ATOM 843 C LEU A 58 0.333 -12.660 -10.661 1.00 0.00 C ATOM 844 O LEU A 58 -0.261 -11.686 -10.185 1.00 0.00 O ATOM 845 CB LEU A 58 2.823 -12.364 -11.370 1.00 0.00 C ATOM 846 CG LEU A 58 4.277 -12.101 -10.882 1.00 0.00 C ATOM 847 CD1 LEU A 58 5.286 -12.893 -11.736 1.00 0.00 C ATOM 848 CD2 LEU A 58 4.654 -10.604 -10.883 1.00 0.00 C ATOM 0 H LEU A 58 2.633 -14.783 -10.922 1.00 0.00 H new ATOM 0 HA LEU A 58 2.026 -12.403 -9.382 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.865 -13.063 -12.205 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.420 -11.429 -11.758 1.00 0.00 H new ATOM 0 HG LEU A 58 4.319 -12.443 -9.848 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.297 -12.696 -11.380 1.00 0.00 H new ATOM 0 HD12 LEU A 58 5.074 -13.959 -11.655 1.00 0.00 H new ATOM 0 HD13 LEU A 58 5.202 -12.584 -12.778 1.00 0.00 H new ATOM 0 HD21 LEU A 58 5.680 -10.487 -10.533 1.00 0.00 H new ATOM 0 HD22 LEU A 58 4.569 -10.208 -11.895 1.00 0.00 H new ATOM 0 HD23 LEU A 58 3.980 -10.059 -10.222 1.00 0.00 H new ATOM 860 N ASP A 59 -0.258 -13.556 -11.474 1.00 0.00 N ATOM 861 CA ASP A 59 -1.652 -13.411 -11.970 1.00 0.00 C ATOM 862 C ASP A 59 -2.587 -13.145 -10.758 1.00 0.00 C ATOM 863 O ASP A 59 -3.611 -12.463 -10.889 1.00 0.00 O ATOM 864 CB ASP A 59 -2.094 -14.646 -12.808 1.00 0.00 C ATOM 865 CG ASP A 59 -3.516 -14.594 -13.391 1.00 0.00 C ATOM 866 OD1 ASP A 59 -3.719 -13.940 -14.438 1.00 0.00 O ATOM 867 OD2 ASP A 59 -4.435 -15.200 -12.797 1.00 0.00 O ATOM 0 H ASP A 59 0.209 -14.399 -11.808 1.00 0.00 H new ATOM 0 HA ASP A 59 -1.713 -12.561 -12.650 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -1.390 -14.772 -13.631 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -2.013 -15.533 -12.180 1.00 0.00 H new ATOM 872 N ALA A 60 -2.234 -13.718 -9.592 1.00 0.00 N ATOM 873 CA ALA A 60 -3.018 -13.555 -8.339 1.00 0.00 C ATOM 874 C ALA A 60 -2.781 -12.139 -7.746 1.00 0.00 C ATOM 875 O ALA A 60 -3.729 -11.462 -7.331 1.00 0.00 O ATOM 876 CB ALA A 60 -2.622 -14.667 -7.348 1.00 0.00 C ATOM 0 H ALA A 60 -1.406 -14.303 -9.485 1.00 0.00 H new ATOM 0 HA ALA A 60 -4.084 -13.647 -8.546 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.193 -14.554 -6.427 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -2.835 -15.641 -7.789 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -1.557 -14.594 -7.126 1.00 0.00 H new ATOM 882 N ILE A 61 -1.505 -11.719 -7.701 1.00 0.00 N ATOM 883 CA ILE A 61 -1.076 -10.394 -7.179 1.00 0.00 C ATOM 884 C ILE A 61 -2.037 -9.333 -7.774 1.00 0.00 C ATOM 885 O ILE A 61 -2.478 -8.414 -7.068 1.00 0.00 O ATOM 886 CB ILE A 61 0.457 -10.139 -7.452 1.00 0.00 C ATOM 887 CG1 ILE A 61 1.330 -11.063 -6.537 1.00 0.00 C ATOM 888 CG2 ILE A 61 0.879 -8.655 -7.293 1.00 0.00 C ATOM 889 CD1 ILE A 61 0.971 -12.560 -6.501 1.00 0.00 C ATOM 0 H ILE A 61 -0.727 -12.292 -8.028 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.152 -10.340 -6.093 1.00 0.00 H new ATOM 0 HB ILE A 61 0.630 -10.389 -8.499 1.00 0.00 H new ATOM 0 HG12 ILE A 61 2.368 -10.972 -6.857 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.276 -10.678 -5.519 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.945 -8.556 -7.496 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.317 -8.040 -7.996 1.00 0.00 H new ATOM 0 HG23 ILE A 61 0.671 -8.325 -6.275 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.653 -13.082 -5.830 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.052 -12.680 -6.144 1.00 0.00 H new ATOM 0 HD13 ILE A 61 1.057 -12.979 -7.504 1.00 0.00 H new ATOM 901 N ILE A 62 -2.354 -9.466 -9.076 1.00 0.00 N ATOM 902 CA ILE A 62 -3.171 -8.480 -9.834 1.00 0.00 C ATOM 903 C ILE A 62 -4.654 -8.787 -9.491 1.00 0.00 C ATOM 904 O ILE A 62 -5.483 -7.872 -9.415 1.00 0.00 O ATOM 905 CB ILE A 62 -2.829 -8.492 -11.371 1.00 0.00 C ATOM 906 CG1 ILE A 62 -1.459 -7.811 -11.690 1.00 0.00 C ATOM 907 CG2 ILE A 62 -3.951 -7.858 -12.237 1.00 0.00 C ATOM 908 CD1 ILE A 62 -1.176 -7.538 -13.176 1.00 0.00 C ATOM 0 H ILE A 62 -2.053 -10.261 -9.640 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.948 -7.453 -9.543 1.00 0.00 H new ATOM 0 HB ILE A 62 -2.751 -9.546 -11.636 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -1.411 -6.865 -11.151 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -0.661 -8.442 -11.298 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -3.663 -7.893 -13.288 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -4.878 -8.414 -12.096 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -4.101 -6.821 -11.936 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -0.200 -7.064 -13.279 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -1.183 -8.479 -13.727 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -1.944 -6.877 -13.577 1.00 0.00 H new ATOM 920 N GLU A 63 -4.978 -10.082 -9.314 1.00 0.00 N ATOM 921 CA GLU A 63 -6.355 -10.541 -8.983 1.00 0.00 C ATOM 922 C GLU A 63 -6.931 -9.637 -7.858 1.00 0.00 C ATOM 923 O GLU A 63 -8.144 -9.396 -7.805 1.00 0.00 O ATOM 924 CB GLU A 63 -6.350 -12.054 -8.616 1.00 0.00 C ATOM 925 CG GLU A 63 -7.639 -12.847 -8.940 1.00 0.00 C ATOM 926 CD GLU A 63 -7.709 -13.370 -10.378 1.00 0.00 C ATOM 927 OE1 GLU A 63 -7.239 -14.501 -10.635 1.00 0.00 O ATOM 928 OE2 GLU A 63 -8.232 -12.652 -11.258 1.00 0.00 O ATOM 0 H GLU A 63 -4.302 -10.842 -9.394 1.00 0.00 H new ATOM 0 HA GLU A 63 -7.010 -10.445 -9.849 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -5.518 -12.528 -9.136 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -6.152 -12.145 -7.548 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -7.715 -13.691 -8.254 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -8.502 -12.207 -8.755 1.00 0.00 H new ATOM 935 N GLU A 64 -6.044 -9.123 -6.986 1.00 0.00 N ATOM 936 CA GLU A 64 -6.438 -8.263 -5.839 1.00 0.00 C ATOM 937 C GLU A 64 -7.054 -6.950 -6.393 1.00 0.00 C ATOM 938 O GLU A 64 -8.268 -6.730 -6.292 1.00 0.00 O ATOM 939 CB GLU A 64 -5.222 -8.031 -4.896 1.00 0.00 C ATOM 940 CG GLU A 64 -5.209 -6.706 -4.097 1.00 0.00 C ATOM 941 CD GLU A 64 -6.084 -6.724 -2.840 1.00 0.00 C ATOM 942 OE1 GLU A 64 -7.179 -7.327 -2.873 1.00 0.00 O ATOM 943 OE2 GLU A 64 -5.681 -6.132 -1.814 1.00 0.00 O ATOM 0 H GLU A 64 -5.039 -9.287 -7.050 1.00 0.00 H new ATOM 0 HA GLU A 64 -7.198 -8.750 -5.228 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -5.178 -8.857 -4.186 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -4.312 -8.077 -5.495 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -4.183 -6.478 -3.809 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -5.544 -5.899 -4.748 1.00 0.00 H new ATOM 950 N VAL A 65 -6.199 -6.072 -6.951 1.00 0.00 N ATOM 951 CA VAL A 65 -6.599 -4.721 -7.426 1.00 0.00 C ATOM 952 C VAL A 65 -6.491 -4.716 -8.975 1.00 0.00 C ATOM 953 O VAL A 65 -5.415 -4.460 -9.530 1.00 0.00 O ATOM 954 CB VAL A 65 -5.764 -3.586 -6.730 1.00 0.00 C ATOM 955 CG1 VAL A 65 -4.230 -3.747 -6.873 1.00 0.00 C ATOM 956 CG2 VAL A 65 -6.147 -2.171 -7.227 1.00 0.00 C ATOM 0 H VAL A 65 -5.209 -6.274 -7.088 1.00 0.00 H new ATOM 0 HA VAL A 65 -7.630 -4.504 -7.147 1.00 0.00 H new ATOM 0 HB VAL A 65 -6.024 -3.694 -5.677 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -3.729 -2.923 -6.365 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -3.920 -4.691 -6.426 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -3.960 -3.740 -7.929 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -5.539 -1.427 -6.712 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -5.972 -2.103 -8.301 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -7.201 -1.985 -7.019 1.00 0.00 H new ATOM 966 N ASP A 66 -7.616 -4.991 -9.661 1.00 0.00 N ATOM 967 CA ASP A 66 -7.676 -5.017 -11.148 1.00 0.00 C ATOM 968 C ASP A 66 -9.057 -5.584 -11.576 1.00 0.00 C ATOM 969 O ASP A 66 -9.149 -6.458 -12.449 1.00 0.00 O ATOM 970 CB ASP A 66 -6.483 -5.807 -11.759 1.00 0.00 C ATOM 971 CG ASP A 66 -5.575 -5.024 -12.724 1.00 0.00 C ATOM 972 OD1 ASP A 66 -5.964 -4.828 -13.896 1.00 0.00 O ATOM 973 OD2 ASP A 66 -4.476 -4.598 -12.305 1.00 0.00 O ATOM 0 H ASP A 66 -8.507 -5.201 -9.211 1.00 0.00 H new ATOM 0 HA ASP A 66 -7.579 -4.004 -11.540 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -5.869 -6.187 -10.942 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -6.880 -6.673 -12.288 1.00 0.00 H new ATOM 978 N GLU A 67 -10.132 -5.053 -10.965 1.00 0.00 N ATOM 979 CA GLU A 67 -11.526 -5.518 -11.180 1.00 0.00 C ATOM 980 C GLU A 67 -12.146 -4.775 -12.394 1.00 0.00 C ATOM 981 O GLU A 67 -13.381 -4.644 -12.474 1.00 0.00 O ATOM 982 CB GLU A 67 -12.355 -5.337 -9.871 1.00 0.00 C ATOM 983 CG GLU A 67 -12.899 -3.916 -9.591 1.00 0.00 C ATOM 984 CD GLU A 67 -12.164 -3.171 -8.472 1.00 0.00 C ATOM 985 OE1 GLU A 67 -10.937 -3.366 -8.320 1.00 0.00 O ATOM 986 OE2 GLU A 67 -12.809 -2.386 -7.743 1.00 0.00 O ATOM 0 H GLU A 67 -10.063 -4.282 -10.301 1.00 0.00 H new ATOM 0 HA GLU A 67 -11.535 -6.582 -11.417 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -13.199 -6.026 -9.904 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -11.732 -5.636 -9.028 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -12.835 -3.328 -10.507 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -13.955 -3.988 -9.331 1.00 0.00 H new ATOM 993 N ASP A 68 -11.316 -4.319 -13.349 1.00 0.00 N ATOM 994 CA ASP A 68 -11.777 -3.552 -14.538 1.00 0.00 C ATOM 995 C ASP A 68 -11.575 -4.411 -15.815 1.00 0.00 C ATOM 996 O ASP A 68 -11.446 -3.868 -16.921 1.00 0.00 O ATOM 997 CB ASP A 68 -11.068 -2.168 -14.633 1.00 0.00 C ATOM 998 CG ASP A 68 -9.836 -1.977 -13.732 1.00 0.00 C ATOM 999 OD1 ASP A 68 -8.765 -2.547 -14.041 1.00 0.00 O ATOM 1000 OD2 ASP A 68 -9.938 -1.262 -12.711 1.00 0.00 O ATOM 0 H ASP A 68 -10.307 -4.467 -13.326 1.00 0.00 H new ATOM 0 HA ASP A 68 -12.841 -3.337 -14.437 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -10.765 -2.008 -15.668 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -11.795 -1.393 -14.390 1.00 0.00 H new ATOM 1005 N GLY A 69 -11.586 -5.748 -15.664 1.00 0.00 N ATOM 1006 CA GLY A 69 -11.453 -6.694 -16.800 1.00 0.00 C ATOM 1007 C GLY A 69 -10.337 -6.249 -17.779 1.00 0.00 C ATOM 1008 O GLY A 69 -10.462 -6.427 -19.000 1.00 0.00 O ATOM 0 H GLY A 69 -11.686 -6.207 -14.758 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -11.230 -7.691 -16.421 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -12.401 -6.760 -17.333 1.00 0.00 H new ATOM 1012 N SER A 70 -9.254 -5.668 -17.229 1.00 0.00 N ATOM 1013 CA SER A 70 -8.138 -5.099 -18.032 1.00 0.00 C ATOM 1014 C SER A 70 -6.965 -6.113 -18.099 1.00 0.00 C ATOM 1015 O SER A 70 -6.565 -6.556 -19.183 1.00 0.00 O ATOM 1016 CB SER A 70 -7.710 -3.741 -17.429 1.00 0.00 C ATOM 1017 OG SER A 70 -7.477 -3.841 -16.028 1.00 0.00 O ATOM 0 H SER A 70 -9.122 -5.577 -16.222 1.00 0.00 H new ATOM 0 HA SER A 70 -8.464 -4.917 -19.056 1.00 0.00 H new ATOM 0 HB2 SER A 70 -6.805 -3.391 -17.925 1.00 0.00 H new ATOM 0 HB3 SER A 70 -8.485 -2.998 -17.618 1.00 0.00 H new ATOM 0 HG SER A 70 -8.098 -3.252 -15.550 1.00 0.00 H new ATOM 1023 N GLY A 71 -6.403 -6.459 -16.924 1.00 0.00 N ATOM 1024 CA GLY A 71 -5.258 -7.400 -16.828 1.00 0.00 C ATOM 1025 C GLY A 71 -3.916 -6.643 -16.996 1.00 0.00 C ATOM 1026 O GLY A 71 -2.937 -7.200 -17.512 1.00 0.00 O ATOM 0 H GLY A 71 -6.721 -6.102 -16.023 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -5.277 -7.908 -15.864 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -5.347 -8.169 -17.595 1.00 0.00 H new ATOM 1030 N THR A 72 -3.888 -5.372 -16.552 1.00 0.00 N ATOM 1031 CA THR A 72 -2.663 -4.530 -16.551 1.00 0.00 C ATOM 1032 C THR A 72 -2.792 -3.463 -15.429 1.00 0.00 C ATOM 1033 O THR A 72 -3.755 -3.479 -14.650 1.00 0.00 O ATOM 1034 CB THR A 72 -2.381 -3.905 -17.955 1.00 0.00 C ATOM 1035 OG1 THR A 72 -3.494 -3.131 -18.394 1.00 0.00 O ATOM 1036 CG2 THR A 72 -2.038 -4.917 -19.065 1.00 0.00 C ATOM 0 H THR A 72 -4.710 -4.895 -16.183 1.00 0.00 H new ATOM 0 HA THR A 72 -1.794 -5.152 -16.339 1.00 0.00 H new ATOM 0 HB THR A 72 -1.495 -3.289 -17.799 1.00 0.00 H new ATOM 0 HG1 THR A 72 -3.298 -2.746 -19.274 1.00 0.00 H new ATOM 0 HG21 THR A 72 -1.860 -4.385 -20.000 1.00 0.00 H new ATOM 0 HG22 THR A 72 -1.142 -5.473 -18.787 1.00 0.00 H new ATOM 0 HG23 THR A 72 -2.869 -5.610 -19.195 1.00 0.00 H new ATOM 1044 N ILE A 73 -1.824 -2.529 -15.368 1.00 0.00 N ATOM 1045 CA ILE A 73 -1.799 -1.444 -14.351 1.00 0.00 C ATOM 1046 C ILE A 73 -1.361 -0.156 -15.102 1.00 0.00 C ATOM 1047 O ILE A 73 -0.162 0.104 -15.262 1.00 0.00 O ATOM 1048 CB ILE A 73 -0.906 -1.821 -13.110 1.00 0.00 C ATOM 1049 CG1 ILE A 73 -1.382 -3.128 -12.400 1.00 0.00 C ATOM 1050 CG2 ILE A 73 -0.801 -0.665 -12.078 1.00 0.00 C ATOM 1051 CD1 ILE A 73 -0.292 -3.927 -11.665 1.00 0.00 C ATOM 0 H ILE A 73 -1.037 -2.499 -16.017 1.00 0.00 H new ATOM 0 HA ILE A 73 -2.780 -1.279 -13.904 1.00 0.00 H new ATOM 0 HB ILE A 73 0.088 -2.002 -13.519 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -2.160 -2.866 -11.683 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -1.841 -3.777 -13.146 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -0.174 -0.978 -11.243 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -0.359 0.210 -12.555 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -1.796 -0.414 -11.711 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -0.735 -4.813 -11.210 1.00 0.00 H new ATOM 0 HD12 ILE A 73 0.478 -4.230 -12.375 1.00 0.00 H new ATOM 0 HD13 ILE A 73 0.154 -3.305 -10.889 1.00 0.00 H new ATOM 1063 N ASP A 74 -2.346 0.625 -15.584 1.00 0.00 N ATOM 1064 CA ASP A 74 -2.090 1.891 -16.322 1.00 0.00 C ATOM 1065 C ASP A 74 -1.417 2.912 -15.363 1.00 0.00 C ATOM 1066 O ASP A 74 -1.132 2.613 -14.195 1.00 0.00 O ATOM 1067 CB ASP A 74 -3.391 2.448 -16.969 1.00 0.00 C ATOM 1068 CG ASP A 74 -4.484 1.413 -17.291 1.00 0.00 C ATOM 1069 OD1 ASP A 74 -4.459 0.830 -18.397 1.00 0.00 O ATOM 1070 OD2 ASP A 74 -5.366 1.180 -16.435 1.00 0.00 O ATOM 0 H ASP A 74 -3.336 0.405 -15.478 1.00 0.00 H new ATOM 0 HA ASP A 74 -1.408 1.697 -17.149 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -3.814 3.197 -16.299 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -3.122 2.962 -17.892 1.00 0.00 H new ATOM 1075 N PHE A 75 -1.165 4.132 -15.877 1.00 0.00 N ATOM 1076 CA PHE A 75 -0.575 5.243 -15.079 1.00 0.00 C ATOM 1077 C PHE A 75 -1.636 5.738 -14.060 1.00 0.00 C ATOM 1078 O PHE A 75 -1.318 6.006 -12.895 1.00 0.00 O ATOM 1079 CB PHE A 75 -0.083 6.386 -16.015 1.00 0.00 C ATOM 1080 CG PHE A 75 0.683 7.528 -15.317 1.00 0.00 C ATOM 1081 CD1 PHE A 75 0.272 7.990 -14.061 1.00 0.00 C ATOM 1082 CD2 PHE A 75 1.788 8.123 -15.938 1.00 0.00 C ATOM 1083 CE1 PHE A 75 0.953 9.033 -13.439 1.00 0.00 C ATOM 1084 CE2 PHE A 75 2.464 9.170 -15.314 1.00 0.00 C ATOM 1085 CZ PHE A 75 2.046 9.624 -14.067 1.00 0.00 C ATOM 0 H PHE A 75 -1.360 4.381 -16.847 1.00 0.00 H new ATOM 0 HA PHE A 75 0.298 4.892 -14.530 1.00 0.00 H new ATOM 0 HB2 PHE A 75 0.561 5.954 -16.781 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -0.946 6.810 -16.527 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -0.577 7.535 -13.572 1.00 0.00 H new ATOM 0 HD2 PHE A 75 2.118 7.769 -16.904 1.00 0.00 H new ATOM 0 HE1 PHE A 75 0.633 9.384 -12.469 1.00 0.00 H new ATOM 0 HE2 PHE A 75 3.313 9.629 -15.799 1.00 0.00 H new ATOM 0 HZ PHE A 75 2.570 10.436 -13.585 1.00 0.00 H new ATOM 1095 N GLU A 76 -2.897 5.847 -14.518 1.00 0.00 N ATOM 1096 CA GLU A 76 -4.013 6.402 -13.706 1.00 0.00 C ATOM 1097 C GLU A 76 -4.361 5.406 -12.565 1.00 0.00 C ATOM 1098 O GLU A 76 -4.765 5.817 -11.471 1.00 0.00 O ATOM 1099 CB GLU A 76 -5.241 6.743 -14.598 1.00 0.00 C ATOM 1100 CG GLU A 76 -5.008 6.881 -16.124 1.00 0.00 C ATOM 1101 CD GLU A 76 -4.834 8.325 -16.605 1.00 0.00 C ATOM 1102 OE1 GLU A 76 -3.925 9.024 -16.104 1.00 0.00 O ATOM 1103 OE2 GLU A 76 -5.607 8.767 -17.484 1.00 0.00 O ATOM 0 H GLU A 76 -3.177 5.557 -15.455 1.00 0.00 H new ATOM 0 HA GLU A 76 -3.702 7.342 -13.251 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -5.993 5.970 -14.442 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -5.667 7.679 -14.238 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -4.121 6.309 -16.398 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -5.851 6.434 -16.651 1.00 0.00 H new ATOM 1110 N GLU A 77 -4.224 4.099 -12.855 1.00 0.00 N ATOM 1111 CA GLU A 77 -4.559 3.007 -11.901 1.00 0.00 C ATOM 1112 C GLU A 77 -3.402 2.833 -10.879 1.00 0.00 C ATOM 1113 O GLU A 77 -3.629 2.404 -9.740 1.00 0.00 O ATOM 1114 CB GLU A 77 -4.873 1.674 -12.642 1.00 0.00 C ATOM 1115 CG GLU A 77 -5.046 0.419 -11.753 1.00 0.00 C ATOM 1116 CD GLU A 77 -5.650 -0.771 -12.504 1.00 0.00 C ATOM 1117 OE1 GLU A 77 -6.851 -0.723 -12.850 1.00 0.00 O ATOM 1118 OE2 GLU A 77 -4.927 -1.763 -12.747 1.00 0.00 O ATOM 0 H GLU A 77 -3.879 3.763 -13.754 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.464 3.283 -11.360 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -5.786 1.811 -13.221 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -4.070 1.481 -13.354 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -4.076 0.131 -11.349 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -5.684 0.667 -10.905 1.00 0.00 H new ATOM 1125 N PHE A 78 -2.168 3.162 -11.302 1.00 0.00 N ATOM 1126 CA PHE A 78 -0.956 3.045 -10.448 1.00 0.00 C ATOM 1127 C PHE A 78 -1.118 3.980 -9.219 1.00 0.00 C ATOM 1128 O PHE A 78 -0.920 3.559 -8.073 1.00 0.00 O ATOM 1129 CB PHE A 78 0.328 3.364 -11.274 1.00 0.00 C ATOM 1130 CG PHE A 78 1.659 3.164 -10.521 1.00 0.00 C ATOM 1131 CD1 PHE A 78 2.150 4.172 -9.682 1.00 0.00 C ATOM 1132 CD2 PHE A 78 2.414 2.000 -10.705 1.00 0.00 C ATOM 1133 CE1 PHE A 78 3.344 3.989 -8.987 1.00 0.00 C ATOM 1134 CE2 PHE A 78 3.608 1.820 -10.011 1.00 0.00 C ATOM 1135 CZ PHE A 78 4.070 2.813 -9.150 1.00 0.00 C ATOM 0 H PHE A 78 -1.976 3.515 -12.239 1.00 0.00 H new ATOM 0 HA PHE A 78 -0.845 2.022 -10.087 1.00 0.00 H new ATOM 0 HB2 PHE A 78 0.334 2.734 -12.164 1.00 0.00 H new ATOM 0 HB3 PHE A 78 0.274 4.398 -11.615 1.00 0.00 H new ATOM 0 HD1 PHE A 78 1.601 5.096 -9.573 1.00 0.00 H new ATOM 0 HD2 PHE A 78 2.069 1.238 -11.388 1.00 0.00 H new ATOM 0 HE1 PHE A 78 3.706 4.759 -8.322 1.00 0.00 H new ATOM 0 HE2 PHE A 78 4.176 0.910 -10.140 1.00 0.00 H new ATOM 0 HZ PHE A 78 4.993 2.670 -8.608 1.00 0.00 H new ATOM 1145 N LEU A 79 -1.449 5.258 -9.481 1.00 0.00 N ATOM 1146 CA LEU A 79 -1.532 6.309 -8.432 1.00 0.00 C ATOM 1147 C LEU A 79 -2.638 5.909 -7.417 1.00 0.00 C ATOM 1148 O LEU A 79 -2.509 6.169 -6.215 1.00 0.00 O ATOM 1149 CB LEU A 79 -1.814 7.705 -9.066 1.00 0.00 C ATOM 1150 CG LEU A 79 -0.589 8.630 -9.328 1.00 0.00 C ATOM 1151 CD1 LEU A 79 -0.024 8.419 -10.747 1.00 0.00 C ATOM 1152 CD2 LEU A 79 -0.914 10.121 -9.110 1.00 0.00 C ATOM 0 H LEU A 79 -1.667 5.597 -10.418 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.579 6.387 -7.910 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -2.327 7.547 -10.015 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -2.506 8.238 -8.414 1.00 0.00 H new ATOM 0 HG LEU A 79 0.167 8.347 -8.596 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.830 9.078 -10.900 1.00 0.00 H new ATOM 0 HD12 LEU A 79 0.293 7.382 -10.862 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -0.795 8.647 -11.483 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -0.025 10.720 -9.306 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.712 10.423 -9.789 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -1.236 10.276 -8.080 1.00 0.00 H new ATOM 1164 N VAL A 80 -3.730 5.305 -7.920 1.00 0.00 N ATOM 1165 CA VAL A 80 -4.885 4.874 -7.087 1.00 0.00 C ATOM 1166 C VAL A 80 -4.394 3.748 -6.137 1.00 0.00 C ATOM 1167 O VAL A 80 -4.809 3.681 -4.973 1.00 0.00 O ATOM 1168 CB VAL A 80 -6.119 4.465 -7.967 1.00 0.00 C ATOM 1169 CG1 VAL A 80 -6.950 3.291 -7.392 1.00 0.00 C ATOM 1170 CG2 VAL A 80 -7.082 5.647 -8.237 1.00 0.00 C ATOM 0 H VAL A 80 -3.844 5.099 -8.912 1.00 0.00 H new ATOM 0 HA VAL A 80 -5.250 5.703 -6.481 1.00 0.00 H new ATOM 0 HB VAL A 80 -5.660 4.137 -8.900 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -7.783 3.073 -8.061 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -6.317 2.408 -7.300 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -7.336 3.565 -6.410 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -7.916 5.304 -8.850 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -7.462 6.031 -7.290 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -6.548 6.439 -8.761 1.00 0.00 H new ATOM 1180 N MET A 81 -3.504 2.876 -6.647 1.00 0.00 N ATOM 1181 CA MET A 81 -2.945 1.733 -5.877 1.00 0.00 C ATOM 1182 C MET A 81 -2.290 2.290 -4.583 1.00 0.00 C ATOM 1183 O MET A 81 -2.717 1.965 -3.469 1.00 0.00 O ATOM 1184 CB MET A 81 -1.941 0.908 -6.733 1.00 0.00 C ATOM 1185 CG MET A 81 -1.927 -0.610 -6.474 1.00 0.00 C ATOM 1186 SD MET A 81 -0.316 -1.299 -6.916 1.00 0.00 S ATOM 1187 CE MET A 81 -0.745 -2.312 -8.346 1.00 0.00 C ATOM 0 H MET A 81 -3.149 2.938 -7.601 1.00 0.00 H new ATOM 0 HA MET A 81 -3.744 1.043 -5.605 1.00 0.00 H new ATOM 0 HB2 MET A 81 -2.167 1.076 -7.786 1.00 0.00 H new ATOM 0 HB3 MET A 81 -0.938 1.297 -6.557 1.00 0.00 H new ATOM 0 HG2 MET A 81 -2.141 -0.810 -5.424 1.00 0.00 H new ATOM 0 HG3 MET A 81 -2.711 -1.094 -7.057 1.00 0.00 H new ATOM 0 HE1 MET A 81 0.094 -2.961 -8.597 1.00 0.00 H new ATOM 0 HE2 MET A 81 -1.618 -2.921 -8.111 1.00 0.00 H new ATOM 0 HE3 MET A 81 -0.971 -1.666 -9.195 1.00 0.00 H new ATOM 1197 N MET A 82 -1.231 3.105 -4.754 1.00 0.00 N ATOM 1198 CA MET A 82 -0.423 3.629 -3.621 1.00 0.00 C ATOM 1199 C MET A 82 -1.300 4.532 -2.710 1.00 0.00 C ATOM 1200 O MET A 82 -1.011 4.679 -1.515 1.00 0.00 O ATOM 1201 CB MET A 82 0.824 4.383 -4.164 1.00 0.00 C ATOM 1202 CG MET A 82 2.067 3.511 -4.425 1.00 0.00 C ATOM 1203 SD MET A 82 3.032 3.287 -2.912 1.00 0.00 S ATOM 1204 CE MET A 82 4.708 3.615 -3.494 1.00 0.00 C ATOM 0 H MET A 82 -0.909 3.420 -5.669 1.00 0.00 H new ATOM 0 HA MET A 82 -0.067 2.799 -3.011 1.00 0.00 H new ATOM 0 HB2 MET A 82 0.549 4.880 -5.094 1.00 0.00 H new ATOM 0 HB3 MET A 82 1.093 5.164 -3.452 1.00 0.00 H new ATOM 0 HG2 MET A 82 1.759 2.539 -4.811 1.00 0.00 H new ATOM 0 HG3 MET A 82 2.688 3.976 -5.191 1.00 0.00 H new ATOM 0 HE1 MET A 82 5.408 3.512 -2.665 1.00 0.00 H new ATOM 0 HE2 MET A 82 4.967 2.903 -4.278 1.00 0.00 H new ATOM 0 HE3 MET A 82 4.763 4.628 -3.892 1.00 0.00 H new ATOM 1214 N VAL A 83 -2.345 5.153 -3.289 1.00 0.00 N ATOM 1215 CA VAL A 83 -3.206 6.138 -2.581 1.00 0.00 C ATOM 1216 C VAL A 83 -3.928 5.387 -1.428 1.00 0.00 C ATOM 1217 O VAL A 83 -4.061 5.918 -0.318 1.00 0.00 O ATOM 1218 CB VAL A 83 -4.182 6.880 -3.562 1.00 0.00 C ATOM 1219 CG1 VAL A 83 -5.671 6.715 -3.172 1.00 0.00 C ATOM 1220 CG2 VAL A 83 -3.897 8.395 -3.725 1.00 0.00 C ATOM 0 H VAL A 83 -2.621 4.991 -4.258 1.00 0.00 H new ATOM 0 HA VAL A 83 -2.602 6.939 -2.154 1.00 0.00 H new ATOM 0 HB VAL A 83 -3.989 6.388 -4.515 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -6.296 7.250 -3.887 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -5.934 5.657 -3.180 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -5.833 7.121 -2.174 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -4.617 8.828 -4.419 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -3.985 8.888 -2.757 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -2.888 8.536 -4.114 1.00 0.00 H new ATOM 1230 N ARG A 84 -4.400 4.159 -1.713 1.00 0.00 N ATOM 1231 CA ARG A 84 -5.213 3.353 -0.764 1.00 0.00 C ATOM 1232 C ARG A 84 -4.328 3.009 0.465 1.00 0.00 C ATOM 1233 O ARG A 84 -4.789 3.073 1.612 1.00 0.00 O ATOM 1234 CB ARG A 84 -5.745 2.066 -1.456 1.00 0.00 C ATOM 1235 CG ARG A 84 -7.022 2.261 -2.306 1.00 0.00 C ATOM 1236 CD ARG A 84 -7.044 1.368 -3.562 1.00 0.00 C ATOM 1237 NE ARG A 84 -7.360 -0.044 -3.228 1.00 0.00 N ATOM 1238 CZ ARG A 84 -8.606 -0.560 -3.182 1.00 0.00 C ATOM 1239 NH1 ARG A 84 -9.561 -0.113 -3.985 1.00 0.00 N ATOM 1240 NH2 ARG A 84 -8.908 -1.544 -2.347 1.00 0.00 N ATOM 0 H ARG A 84 -4.233 3.692 -2.604 1.00 0.00 H new ATOM 0 HA ARG A 84 -6.083 3.922 -0.436 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -4.959 1.664 -2.095 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -5.947 1.317 -0.690 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -7.897 2.042 -1.694 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -7.097 3.306 -2.607 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -7.783 1.749 -4.266 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -6.075 1.416 -4.059 1.00 0.00 H new ATOM 0 HE ARG A 84 -6.580 -0.668 -3.019 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -9.360 0.633 -4.651 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -10.497 -0.515 -3.937 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -8.193 -1.923 -1.726 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -9.855 -1.922 -2.326 1.00 0.00 H new ATOM 1254 N GLN A 85 -3.067 2.618 0.206 1.00 0.00 N ATOM 1255 CA GLN A 85 -2.128 2.144 1.258 1.00 0.00 C ATOM 1256 C GLN A 85 -1.751 3.343 2.170 1.00 0.00 C ATOM 1257 O GLN A 85 -1.489 3.167 3.367 1.00 0.00 O ATOM 1258 CB GLN A 85 -0.883 1.480 0.603 1.00 0.00 C ATOM 1259 CG GLN A 85 -1.106 0.083 -0.026 1.00 0.00 C ATOM 1260 CD GLN A 85 -0.773 -1.096 0.905 1.00 0.00 C ATOM 1261 OE1 GLN A 85 -0.272 -2.133 0.469 1.00 0.00 O ATOM 1262 NE2 GLN A 85 -1.044 -0.970 2.196 1.00 0.00 N ATOM 0 H GLN A 85 -2.665 2.619 -0.731 1.00 0.00 H new ATOM 0 HA GLN A 85 -2.600 1.382 1.878 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -0.506 2.148 -0.171 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -0.102 1.395 1.359 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -2.147 0.001 -0.338 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -0.497 0.002 -0.926 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -1.459 -0.107 2.548 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -0.838 -1.736 2.838 1.00 0.00 H new ATOM 1271 N MET A 86 -1.699 4.552 1.582 1.00 0.00 N ATOM 1272 CA MET A 86 -1.253 5.786 2.279 1.00 0.00 C ATOM 1273 C MET A 86 -2.303 6.123 3.373 1.00 0.00 C ATOM 1274 O MET A 86 -1.944 6.457 4.509 1.00 0.00 O ATOM 1275 CB MET A 86 -1.040 6.954 1.267 1.00 0.00 C ATOM 1276 CG MET A 86 -2.135 8.037 1.293 1.00 0.00 C ATOM 1277 SD MET A 86 -1.581 9.530 0.448 1.00 0.00 S ATOM 1278 CE MET A 86 -2.680 9.559 -0.984 1.00 0.00 C ATOM 0 H MET A 86 -1.964 4.708 0.609 1.00 0.00 H new ATOM 0 HA MET A 86 -0.285 5.630 2.756 1.00 0.00 H new ATOM 0 HB2 MET A 86 -0.078 7.424 1.473 1.00 0.00 H new ATOM 0 HB3 MET A 86 -0.983 6.539 0.261 1.00 0.00 H new ATOM 0 HG2 MET A 86 -3.039 7.658 0.816 1.00 0.00 H new ATOM 0 HG3 MET A 86 -2.395 8.273 2.325 1.00 0.00 H new ATOM 0 HE1 MET A 86 -2.137 9.219 -1.866 1.00 0.00 H new ATOM 0 HE2 MET A 86 -3.529 8.900 -0.804 1.00 0.00 H new ATOM 0 HE3 MET A 86 -3.038 10.576 -1.148 1.00 0.00 H new ATOM 1288 N LYS A 87 -3.594 6.057 2.999 1.00 0.00 N ATOM 1289 CA LYS A 87 -4.725 6.346 3.920 1.00 0.00 C ATOM 1290 C LYS A 87 -5.083 5.041 4.681 1.00 0.00 C ATOM 1291 O LYS A 87 -4.415 4.013 4.519 1.00 0.00 O ATOM 1292 CB LYS A 87 -5.975 6.875 3.160 1.00 0.00 C ATOM 1293 CG LYS A 87 -6.883 5.790 2.536 1.00 0.00 C ATOM 1294 CD LYS A 87 -8.210 6.311 1.943 1.00 0.00 C ATOM 1295 CE LYS A 87 -9.059 7.165 2.906 1.00 0.00 C ATOM 1296 NZ LYS A 87 -10.500 6.992 2.651 1.00 0.00 N ATOM 0 H LYS A 87 -3.889 5.804 2.056 1.00 0.00 H new ATOM 0 HA LYS A 87 -4.417 7.127 4.615 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -6.572 7.471 3.850 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -5.640 7.544 2.367 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -6.326 5.280 1.750 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -7.111 5.046 3.299 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -7.987 6.903 1.056 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -8.805 5.458 1.616 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -8.834 6.887 3.936 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -8.792 8.216 2.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -11.043 7.580 3.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -10.717 7.281 1.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -10.758 5.993 2.782 1.00 0.00 H new ATOM 1310 N GLU A 88 -6.143 5.101 5.509 1.00 0.00 N ATOM 1311 CA GLU A 88 -6.615 3.941 6.311 1.00 0.00 C ATOM 1312 C GLU A 88 -5.508 3.572 7.336 1.00 0.00 C ATOM 1313 O GLU A 88 -5.473 4.116 8.447 1.00 0.00 O ATOM 1314 CB GLU A 88 -7.018 2.765 5.375 1.00 0.00 C ATOM 1315 CG GLU A 88 -8.464 2.785 4.825 1.00 0.00 C ATOM 1316 CD GLU A 88 -9.548 2.752 5.907 1.00 0.00 C ATOM 1317 OE1 GLU A 88 -9.968 3.833 6.377 1.00 0.00 O ATOM 1318 OE2 GLU A 88 -9.981 1.644 6.295 1.00 0.00 O ATOM 0 H GLU A 88 -6.698 5.946 5.645 1.00 0.00 H new ATOM 0 HA GLU A 88 -7.515 4.190 6.872 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -6.331 2.752 4.529 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -6.872 1.831 5.918 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -8.598 3.681 4.219 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -8.601 1.930 4.163 1.00 0.00 H new ATOM 1325 N ASP A 89 -4.596 2.666 6.934 1.00 0.00 N ATOM 1326 CA ASP A 89 -3.482 2.198 7.801 1.00 0.00 C ATOM 1327 C ASP A 89 -4.084 1.471 9.034 1.00 0.00 C ATOM 1328 O ASP A 89 -4.049 1.993 10.155 1.00 0.00 O ATOM 1329 CB ASP A 89 -2.534 3.367 8.197 1.00 0.00 C ATOM 1330 CG ASP A 89 -1.340 3.616 7.260 1.00 0.00 C ATOM 1331 OD1 ASP A 89 -0.738 2.634 6.772 1.00 0.00 O ATOM 1332 OD2 ASP A 89 -1.000 4.794 7.011 1.00 0.00 O ATOM 0 H ASP A 89 -4.604 2.237 6.009 1.00 0.00 H new ATOM 0 HA ASP A 89 -2.859 1.492 7.251 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -3.123 4.282 8.253 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -2.150 3.173 9.198 1.00 0.00 H new ATOM 1337 N ALA A 90 -4.627 0.261 8.806 1.00 0.00 N ATOM 1338 CA ALA A 90 -5.235 -0.572 9.877 1.00 0.00 C ATOM 1339 C ALA A 90 -4.257 -1.706 10.238 1.00 0.00 C ATOM 1340 O ALA A 90 -3.373 -1.483 11.121 1.00 0.00 O ATOM 1341 CB ALA A 90 -6.612 -1.111 9.436 1.00 0.00 C ATOM 1342 OXT ALA A 90 -4.350 -2.832 9.657 1.00 0.00 O ATOM 0 H ALA A 90 -4.660 -0.171 7.882 1.00 0.00 H new ATOM 0 HA ALA A 90 -5.410 0.033 10.766 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -7.038 -1.718 10.235 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -7.278 -0.275 9.220 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -6.494 -1.721 8.541 1.00 0.00 H new TER 1348 ALA A 90 HETATM 1349 CA CA A 91 3.727 -2.723 -20.479 1.00 0.00 CA HETATM 1350 CA CA A 92 -6.021 -2.489 -14.255 1.00 0.00 CA