USER MOD reduce.3.24.130724 H: found=0, std=0, add=568, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 566 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+ -114:sc= 0.0837 (180deg=0) USER MOD Single : A 4 MET CE :methyl -147:sc= -0.23 (180deg=-1.76) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 ASN :FLIP amide:sc= 0.0637 F(o=-1.1,f=0.064) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 43:sc= 0.286 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot -97:sc= -1.96 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot -150:sc= -0.0858 USER MOD Single : A 34 THR OG1 : rot -47:sc= 0.801 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 40 GLN :FLIP amide:sc= -0.0045 F(o=-0.57,f=-0.0045) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl -146:sc= -3.96! (180deg=-6.15!) USER MOD Single : A 48 THR OG1 : rot -16:sc= 0.232 USER MOD Single : A 57 ASN : amide:sc= -0.299 X(o=-0.3,f=-0.093) USER MOD Single : A 61 SER OG : rot 180:sc= -0.576 USER MOD Single : A 63 CYS SG : rot 157:sc= 0.187 USER MOD Single : A 64 ASN : amide:sc= -0.0665 X(o=-0.067,f=0) USER MOD Single : A 66 ASN : amide:sc= -0.148 X(o=-0.15,f=0) USER MOD Single : A 70 MET CE :methyl 162:sc= 0 (180deg=-0.225) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -1.615 -6.378 -2.458 1.00 0.00 N ATOM 2 CA ALA A 1 -0.173 -6.225 -2.609 1.00 0.00 C ATOM 3 C ALA A 1 0.179 -4.840 -3.141 1.00 0.00 C ATOM 4 O ALA A 1 -0.668 -4.148 -3.705 1.00 0.00 O ATOM 5 CB ALA A 1 0.379 -7.303 -3.531 1.00 0.00 C ATOM 0 H1 ALA A 1 -1.850 -6.478 -1.450 1.00 0.00 H new ATOM 0 H2 ALA A 1 -2.095 -5.540 -2.844 1.00 0.00 H new ATOM 0 H3 ALA A 1 -1.930 -7.225 -2.973 1.00 0.00 H new ATOM 0 HA ALA A 1 0.284 -6.335 -1.626 1.00 0.00 H new ATOM 0 HB1 ALA A 1 1.457 -7.176 -3.635 1.00 0.00 H new ATOM 0 HB2 ALA A 1 0.168 -8.286 -3.109 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -0.092 -7.220 -4.511 1.00 0.00 H new ATOM 11 N ASP A 2 1.433 -4.442 -2.957 1.00 0.00 N ATOM 12 CA ASP A 2 1.897 -3.139 -3.419 1.00 0.00 C ATOM 13 C ASP A 2 2.708 -3.276 -4.704 1.00 0.00 C ATOM 14 O ASP A 2 2.741 -2.362 -5.529 1.00 0.00 O ATOM 15 CB ASP A 2 2.742 -2.462 -2.338 1.00 0.00 C ATOM 16 CG ASP A 2 2.180 -2.675 -0.947 1.00 0.00 C ATOM 17 OD1 ASP A 2 1.149 -2.050 -0.621 1.00 0.00 O ATOM 18 OD2 ASP A 2 2.771 -3.467 -0.182 1.00 0.00 O ATOM 0 H ASP A 2 2.146 -5.003 -2.491 1.00 0.00 H new ATOM 0 HA ASP A 2 1.023 -2.522 -3.626 1.00 0.00 H new ATOM 0 HB2 ASP A 2 3.759 -2.851 -2.379 1.00 0.00 H new ATOM 0 HB3 ASP A 2 2.801 -1.393 -2.543 1.00 0.00 H new ATOM 23 N ASP A 3 3.361 -4.421 -4.867 1.00 0.00 N ATOM 24 CA ASP A 3 4.171 -4.677 -6.052 1.00 0.00 C ATOM 25 C ASP A 3 3.338 -4.536 -7.322 1.00 0.00 C ATOM 26 O ASP A 3 3.672 -3.754 -8.211 1.00 0.00 O ATOM 27 CB ASP A 3 4.785 -6.077 -5.983 1.00 0.00 C ATOM 28 CG ASP A 3 5.736 -6.235 -4.813 1.00 0.00 C ATOM 29 OD1 ASP A 3 6.913 -5.841 -4.947 1.00 0.00 O ATOM 30 OD2 ASP A 3 5.303 -6.754 -3.763 1.00 0.00 O ATOM 0 H ASP A 3 3.345 -5.187 -4.193 1.00 0.00 H new ATOM 0 HA ASP A 3 4.971 -3.938 -6.081 1.00 0.00 H new ATOM 0 HB2 ASP A 3 3.988 -6.816 -5.902 1.00 0.00 H new ATOM 0 HB3 ASP A 3 5.318 -6.283 -6.911 1.00 0.00 H new ATOM 35 N MET A 4 2.252 -5.298 -7.399 1.00 0.00 N ATOM 36 CA MET A 4 1.371 -5.257 -8.560 1.00 0.00 C ATOM 37 C MET A 4 0.953 -3.825 -8.875 1.00 0.00 C ATOM 38 O MET A 4 0.689 -3.485 -10.028 1.00 0.00 O ATOM 39 CB MET A 4 0.132 -6.121 -8.318 1.00 0.00 C ATOM 40 CG MET A 4 0.448 -7.482 -7.717 1.00 0.00 C ATOM 41 SD MET A 4 1.760 -8.345 -8.604 1.00 0.00 S ATOM 42 CE MET A 4 1.137 -8.275 -10.282 1.00 0.00 C ATOM 0 H MET A 4 1.961 -5.951 -6.671 1.00 0.00 H new ATOM 0 HA MET A 4 1.919 -5.653 -9.415 1.00 0.00 H new ATOM 0 HB2 MET A 4 -0.548 -5.588 -7.653 1.00 0.00 H new ATOM 0 HB3 MET A 4 -0.392 -6.263 -9.263 1.00 0.00 H new ATOM 0 HG2 MET A 4 0.742 -7.355 -6.675 1.00 0.00 H new ATOM 0 HG3 MET A 4 -0.453 -8.095 -7.722 1.00 0.00 H new ATOM 0 HE1 MET A 4 1.440 -9.173 -10.820 1.00 0.00 H new ATOM 0 HE2 MET A 4 0.049 -8.213 -10.264 1.00 0.00 H new ATOM 0 HE3 MET A 4 1.542 -7.397 -10.784 1.00 0.00 H new ATOM 52 N GLU A 5 0.894 -2.989 -7.842 1.00 0.00 N ATOM 53 CA GLU A 5 0.506 -1.594 -8.011 1.00 0.00 C ATOM 54 C GLU A 5 1.512 -0.852 -8.886 1.00 0.00 C ATOM 55 O GLU A 5 1.134 -0.046 -9.738 1.00 0.00 O ATOM 56 CB GLU A 5 0.393 -0.905 -6.649 1.00 0.00 C ATOM 57 CG GLU A 5 -0.905 -0.139 -6.460 1.00 0.00 C ATOM 58 CD GLU A 5 -0.972 0.575 -5.124 1.00 0.00 C ATOM 59 OE1 GLU A 5 0.031 0.537 -4.381 1.00 0.00 O ATOM 60 OE2 GLU A 5 -2.027 1.171 -4.822 1.00 0.00 O ATOM 0 H GLU A 5 1.110 -3.254 -6.881 1.00 0.00 H new ATOM 0 HA GLU A 5 -0.466 -1.571 -8.504 1.00 0.00 H new ATOM 0 HB2 GLU A 5 0.480 -1.656 -5.863 1.00 0.00 H new ATOM 0 HB3 GLU A 5 1.231 -0.219 -6.528 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -1.012 0.590 -7.263 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -1.745 -0.829 -6.541 1.00 0.00 H new ATOM 67 N ARG A 6 2.793 -1.128 -8.670 1.00 0.00 N ATOM 68 CA ARG A 6 3.854 -0.486 -9.438 1.00 0.00 C ATOM 69 C ARG A 6 3.678 -0.747 -10.931 1.00 0.00 C ATOM 70 O ARG A 6 3.920 0.133 -11.758 1.00 0.00 O ATOM 71 CB ARG A 6 5.223 -0.992 -8.979 1.00 0.00 C ATOM 72 CG ARG A 6 5.816 -0.187 -7.834 1.00 0.00 C ATOM 73 CD ARG A 6 6.146 1.234 -8.264 1.00 0.00 C ATOM 74 NE ARG A 6 7.017 1.908 -7.305 1.00 0.00 N ATOM 75 CZ ARG A 6 6.603 2.360 -6.127 1.00 0.00 C ATOM 76 NH1 ARG A 6 5.336 2.212 -5.765 1.00 0.00 N ATOM 77 NH2 ARG A 6 7.456 2.963 -5.309 1.00 0.00 N ATOM 0 H ARG A 6 3.122 -1.792 -7.969 1.00 0.00 H new ATOM 0 HA ARG A 6 3.795 0.588 -9.265 1.00 0.00 H new ATOM 0 HB2 ARG A 6 5.132 -2.034 -8.671 1.00 0.00 H new ATOM 0 HB3 ARG A 6 5.912 -0.969 -9.824 1.00 0.00 H new ATOM 0 HG2 ARG A 6 5.112 -0.162 -7.002 1.00 0.00 H new ATOM 0 HG3 ARG A 6 6.719 -0.678 -7.472 1.00 0.00 H new ATOM 0 HD2 ARG A 6 6.629 1.214 -9.241 1.00 0.00 H new ATOM 0 HD3 ARG A 6 5.223 1.802 -8.377 1.00 0.00 H new ATOM 0 HE ARG A 6 7.998 2.039 -7.554 1.00 0.00 H new ATOM 0 HH11 ARG A 6 4.677 1.750 -6.392 1.00 0.00 H new ATOM 0 HH12 ARG A 6 5.020 2.560 -4.860 1.00 0.00 H new ATOM 0 HH21 ARG A 6 8.431 3.080 -5.585 1.00 0.00 H new ATOM 0 HH22 ARG A 6 7.137 3.310 -4.404 1.00 0.00 H new ATOM 91 N ILE A 7 3.256 -1.961 -11.269 1.00 0.00 N ATOM 92 CA ILE A 7 3.048 -2.336 -12.662 1.00 0.00 C ATOM 93 C ILE A 7 1.724 -1.791 -13.186 1.00 0.00 C ATOM 94 O ILE A 7 1.655 -1.256 -14.293 1.00 0.00 O ATOM 95 CB ILE A 7 3.067 -3.866 -12.842 1.00 0.00 C ATOM 96 CG1 ILE A 7 4.367 -4.450 -12.287 1.00 0.00 C ATOM 97 CG2 ILE A 7 2.901 -4.229 -14.310 1.00 0.00 C ATOM 98 CD1 ILE A 7 4.290 -4.813 -10.820 1.00 0.00 C ATOM 0 H ILE A 7 3.052 -2.701 -10.598 1.00 0.00 H new ATOM 0 HA ILE A 7 3.869 -1.901 -13.232 1.00 0.00 H new ATOM 0 HB ILE A 7 2.232 -4.293 -12.286 1.00 0.00 H new ATOM 0 HG12 ILE A 7 4.630 -5.340 -12.860 1.00 0.00 H new ATOM 0 HG13 ILE A 7 5.171 -3.729 -12.433 1.00 0.00 H new ATOM 0 HG21 ILE A 7 2.917 -5.313 -14.421 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.951 -3.840 -14.676 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.717 -3.794 -14.887 1.00 0.00 H new ATOM 0 HD11 ILE A 7 5.247 -5.221 -10.495 1.00 0.00 H new ATOM 0 HD12 ILE A 7 4.058 -3.922 -10.236 1.00 0.00 H new ATOM 0 HD13 ILE A 7 3.509 -5.558 -10.670 1.00 0.00 H new ATOM 110 N PHE A 8 0.674 -1.928 -12.383 1.00 0.00 N ATOM 111 CA PHE A 8 -0.649 -1.448 -12.765 1.00 0.00 C ATOM 112 C PHE A 8 -0.633 0.059 -13.003 1.00 0.00 C ATOM 113 O PHE A 8 -1.240 0.557 -13.952 1.00 0.00 O ATOM 114 CB PHE A 8 -1.673 -1.793 -11.682 1.00 0.00 C ATOM 115 CG PHE A 8 -3.032 -1.206 -11.933 1.00 0.00 C ATOM 116 CD1 PHE A 8 -3.966 -1.887 -12.698 1.00 0.00 C ATOM 117 CD2 PHE A 8 -3.376 0.028 -11.404 1.00 0.00 C ATOM 118 CE1 PHE A 8 -5.217 -1.349 -12.930 1.00 0.00 C ATOM 119 CE2 PHE A 8 -4.627 0.570 -11.633 1.00 0.00 C ATOM 120 CZ PHE A 8 -5.548 -0.118 -12.398 1.00 0.00 C ATOM 0 H PHE A 8 0.714 -2.368 -11.463 1.00 0.00 H new ATOM 0 HA PHE A 8 -0.933 -1.942 -13.694 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -1.762 -2.877 -11.610 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -1.305 -1.438 -10.719 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -3.713 -2.849 -13.118 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -2.659 0.572 -10.807 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -5.936 -1.891 -13.527 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -4.884 1.531 -11.214 1.00 0.00 H new ATOM 0 HZ PHE A 8 -6.525 0.305 -12.580 1.00 0.00 H new ATOM 130 N LYS A 9 0.066 0.782 -12.135 1.00 0.00 N ATOM 131 CA LYS A 9 0.164 2.233 -12.249 1.00 0.00 C ATOM 132 C LYS A 9 1.127 2.627 -13.364 1.00 0.00 C ATOM 133 O LYS A 9 1.070 3.744 -13.880 1.00 0.00 O ATOM 134 CB LYS A 9 0.627 2.839 -10.922 1.00 0.00 C ATOM 135 CG LYS A 9 -0.449 2.848 -9.849 1.00 0.00 C ATOM 136 CD LYS A 9 0.062 3.453 -8.553 1.00 0.00 C ATOM 137 CE LYS A 9 -0.894 3.189 -7.400 1.00 0.00 C ATOM 138 NZ LYS A 9 -1.291 4.447 -6.709 1.00 0.00 N ATOM 0 H LYS A 9 0.574 0.387 -11.344 1.00 0.00 H new ATOM 0 HA LYS A 9 -0.825 2.621 -12.493 1.00 0.00 H new ATOM 0 HB2 LYS A 9 1.488 2.279 -10.557 1.00 0.00 H new ATOM 0 HB3 LYS A 9 0.963 3.861 -11.097 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -1.311 3.415 -10.201 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -0.791 1.829 -9.666 1.00 0.00 H new ATOM 0 HD2 LYS A 9 1.042 3.037 -8.317 1.00 0.00 H new ATOM 0 HD3 LYS A 9 0.194 4.528 -8.679 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -1.784 2.684 -7.775 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -0.423 2.515 -6.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -1.943 4.224 -5.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -0.444 4.916 -6.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -1.764 5.080 -7.385 1.00 0.00 H new ATOM 152 N ARG A 10 2.009 1.704 -13.732 1.00 0.00 N ATOM 153 CA ARG A 10 2.984 1.956 -14.786 1.00 0.00 C ATOM 154 C ARG A 10 2.289 2.331 -16.091 1.00 0.00 C ATOM 155 O ARG A 10 2.597 3.357 -16.699 1.00 0.00 O ATOM 156 CB ARG A 10 3.865 0.724 -15.000 1.00 0.00 C ATOM 157 CG ARG A 10 5.220 1.043 -15.611 1.00 0.00 C ATOM 158 CD ARG A 10 5.489 0.194 -16.844 1.00 0.00 C ATOM 159 NE ARG A 10 6.398 0.855 -17.776 1.00 0.00 N ATOM 160 CZ ARG A 10 6.052 1.892 -18.530 1.00 0.00 C ATOM 161 NH1 ARG A 10 4.822 2.384 -18.463 1.00 0.00 N ATOM 162 NH2 ARG A 10 6.936 2.439 -19.355 1.00 0.00 N ATOM 0 H ARG A 10 2.069 0.775 -13.316 1.00 0.00 H new ATOM 0 HA ARG A 10 3.610 2.792 -14.475 1.00 0.00 H new ATOM 0 HB2 ARG A 10 4.016 0.225 -14.043 1.00 0.00 H new ATOM 0 HB3 ARG A 10 3.341 0.021 -15.647 1.00 0.00 H new ATOM 0 HG2 ARG A 10 5.260 2.099 -15.879 1.00 0.00 H new ATOM 0 HG3 ARG A 10 6.003 0.872 -14.872 1.00 0.00 H new ATOM 0 HD2 ARG A 10 5.914 -0.762 -16.540 1.00 0.00 H new ATOM 0 HD3 ARG A 10 4.547 -0.022 -17.348 1.00 0.00 H new ATOM 0 HE ARG A 10 7.351 0.501 -17.852 1.00 0.00 H new ATOM 0 HH11 ARG A 10 4.139 1.966 -17.831 1.00 0.00 H new ATOM 0 HH12 ARG A 10 4.559 3.181 -19.043 1.00 0.00 H new ATOM 0 HH21 ARG A 10 7.883 2.063 -19.411 1.00 0.00 H new ATOM 0 HH22 ARG A 10 6.669 3.235 -19.934 1.00 0.00 H new ATOM 176 N PHE A 11 1.349 1.493 -16.517 1.00 0.00 N ATOM 177 CA PHE A 11 0.611 1.736 -17.751 1.00 0.00 C ATOM 178 C PHE A 11 -0.429 2.835 -17.555 1.00 0.00 C ATOM 179 O PHE A 11 -1.046 3.298 -18.515 1.00 0.00 O ATOM 180 CB PHE A 11 -0.071 0.450 -18.223 1.00 0.00 C ATOM 181 CG PHE A 11 0.864 -0.720 -18.332 1.00 0.00 C ATOM 182 CD1 PHE A 11 2.202 -0.528 -18.635 1.00 0.00 C ATOM 183 CD2 PHE A 11 0.405 -2.012 -18.132 1.00 0.00 C ATOM 184 CE1 PHE A 11 3.065 -1.603 -18.737 1.00 0.00 C ATOM 185 CE2 PHE A 11 1.263 -3.091 -18.232 1.00 0.00 C ATOM 186 CZ PHE A 11 2.595 -2.886 -18.535 1.00 0.00 C ATOM 0 H PHE A 11 1.081 0.640 -16.026 1.00 0.00 H new ATOM 0 HA PHE A 11 1.320 2.063 -18.511 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -0.874 0.199 -17.530 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -0.532 0.628 -19.195 1.00 0.00 H new ATOM 0 HD1 PHE A 11 2.575 0.473 -18.793 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -0.636 -2.178 -17.895 1.00 0.00 H new ATOM 0 HE1 PHE A 11 4.106 -1.440 -18.974 1.00 0.00 H new ATOM 0 HE2 PHE A 11 0.893 -4.093 -18.073 1.00 0.00 H new ATOM 0 HZ PHE A 11 3.268 -3.727 -18.614 1.00 0.00 H new ATOM 196 N ASP A 12 -0.618 3.247 -16.307 1.00 0.00 N ATOM 197 CA ASP A 12 -1.583 4.291 -15.984 1.00 0.00 C ATOM 198 C ASP A 12 -1.030 5.669 -16.335 1.00 0.00 C ATOM 199 O ASP A 12 -0.879 6.530 -15.468 1.00 0.00 O ATOM 200 CB ASP A 12 -1.947 4.238 -14.499 1.00 0.00 C ATOM 201 CG ASP A 12 -3.270 4.917 -14.203 1.00 0.00 C ATOM 202 OD1 ASP A 12 -4.074 5.084 -15.143 1.00 0.00 O ATOM 203 OD2 ASP A 12 -3.501 5.281 -13.031 1.00 0.00 O ATOM 0 H ASP A 12 -0.115 2.874 -15.502 1.00 0.00 H new ATOM 0 HA ASP A 12 -2.481 4.117 -16.577 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -1.996 3.198 -14.177 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -1.159 4.716 -13.917 1.00 0.00 H new ATOM 208 N THR A 13 -0.726 5.871 -17.614 1.00 0.00 N ATOM 209 CA THR A 13 -0.188 7.143 -18.080 1.00 0.00 C ATOM 210 C THR A 13 -1.294 8.046 -18.612 1.00 0.00 C ATOM 211 O THR A 13 -1.024 9.089 -19.207 1.00 0.00 O ATOM 212 CB THR A 13 0.866 6.935 -19.184 1.00 0.00 C ATOM 213 OG1 THR A 13 1.637 5.760 -18.912 1.00 0.00 O ATOM 214 CG2 THR A 13 1.788 8.141 -19.285 1.00 0.00 C ATOM 0 H THR A 13 -0.843 5.170 -18.345 1.00 0.00 H new ATOM 0 HA THR A 13 0.285 7.621 -17.222 1.00 0.00 H new ATOM 0 HB THR A 13 0.345 6.814 -20.134 1.00 0.00 H new ATOM 0 HG1 THR A 13 2.303 5.635 -19.620 1.00 0.00 H new ATOM 0 HG21 THR A 13 2.524 7.972 -20.071 1.00 0.00 H new ATOM 0 HG22 THR A 13 1.201 9.029 -19.522 1.00 0.00 H new ATOM 0 HG23 THR A 13 2.300 8.288 -18.334 1.00 0.00 H new ATOM 222 N ASN A 14 -2.540 7.641 -18.392 1.00 0.00 N ATOM 223 CA ASN A 14 -3.688 8.415 -18.850 1.00 0.00 C ATOM 224 C ASN A 14 -4.462 8.991 -17.667 1.00 0.00 C ATOM 225 O ASN A 14 -5.265 9.910 -17.826 1.00 0.00 O ATOM 226 CB ASN A 14 -4.612 7.542 -19.702 1.00 0.00 C ATOM 227 CG ASN A 14 -4.308 6.064 -19.554 1.00 0.00 C ATOM 228 OD1 ASN A 14 -4.517 5.534 -18.355 1.00 0.00 O flip ATOM 229 ND2 ASN A 14 -3.891 5.406 -20.508 1.00 0.00 N flip ATOM 0 H ASN A 14 -2.781 6.781 -17.899 1.00 0.00 H new ATOM 0 HA ASN A 14 -3.319 9.241 -19.457 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -5.648 7.728 -19.417 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -4.514 7.827 -20.749 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -3.745 5.855 -21.412 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -3.692 4.412 -20.394 1.00 0.00 H new ATOM 236 N GLY A 15 -4.214 8.443 -16.481 1.00 0.00 N ATOM 237 CA GLY A 15 -4.895 8.915 -15.290 1.00 0.00 C ATOM 238 C GLY A 15 -6.196 8.180 -15.036 1.00 0.00 C ATOM 239 O GLY A 15 -6.810 8.338 -13.981 1.00 0.00 O ATOM 0 H GLY A 15 -3.554 7.681 -16.324 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -4.239 8.794 -14.428 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -5.097 9.981 -15.389 1.00 0.00 H new ATOM 243 N ASP A 16 -6.618 7.376 -16.005 1.00 0.00 N ATOM 244 CA ASP A 16 -7.855 6.614 -15.882 1.00 0.00 C ATOM 245 C ASP A 16 -7.731 5.546 -14.799 1.00 0.00 C ATOM 246 O ASP A 16 -6.658 5.345 -14.232 1.00 0.00 O ATOM 247 CB ASP A 16 -8.213 5.962 -17.219 1.00 0.00 C ATOM 248 CG ASP A 16 -8.930 6.916 -18.154 1.00 0.00 C ATOM 249 OD1 ASP A 16 -8.819 8.143 -17.950 1.00 0.00 O ATOM 250 OD2 ASP A 16 -9.603 6.435 -19.090 1.00 0.00 O ATOM 0 H ASP A 16 -6.122 7.235 -16.885 1.00 0.00 H new ATOM 0 HA ASP A 16 -8.650 7.304 -15.598 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -7.303 5.602 -17.699 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -8.844 5.092 -17.038 1.00 0.00 H new ATOM 255 N GLY A 17 -8.837 4.865 -14.517 1.00 0.00 N ATOM 256 CA GLY A 17 -8.830 3.827 -13.502 1.00 0.00 C ATOM 257 C GLY A 17 -8.662 2.441 -14.091 1.00 0.00 C ATOM 258 O GLY A 17 -9.069 1.448 -13.488 1.00 0.00 O ATOM 0 H GLY A 17 -9.737 5.013 -14.973 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -8.022 4.019 -12.796 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -9.762 3.868 -12.938 1.00 0.00 H new ATOM 262 N LYS A 18 -8.060 2.372 -15.273 1.00 0.00 N ATOM 263 CA LYS A 18 -7.838 1.097 -15.946 1.00 0.00 C ATOM 264 C LYS A 18 -6.613 1.166 -16.853 1.00 0.00 C ATOM 265 O LYS A 18 -6.134 2.252 -17.182 1.00 0.00 O ATOM 266 CB LYS A 18 -9.071 0.708 -16.765 1.00 0.00 C ATOM 267 CG LYS A 18 -10.317 0.493 -15.924 1.00 0.00 C ATOM 268 CD LYS A 18 -11.450 -0.097 -16.746 1.00 0.00 C ATOM 269 CE LYS A 18 -12.784 0.546 -16.399 1.00 0.00 C ATOM 270 NZ LYS A 18 -13.620 0.778 -17.609 1.00 0.00 N ATOM 0 H LYS A 18 -7.717 3.184 -15.785 1.00 0.00 H new ATOM 0 HA LYS A 18 -7.661 0.338 -15.184 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -9.269 1.488 -17.500 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -8.855 -0.205 -17.319 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -10.085 -0.172 -15.092 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -10.635 1.443 -15.494 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -11.242 0.043 -17.807 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -11.506 -1.171 -16.571 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -13.325 -0.094 -15.701 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -12.609 1.495 -15.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -14.520 1.217 -17.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -13.115 1.409 -18.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -13.809 -0.130 -18.080 1.00 0.00 H new ATOM 284 N ILE A 19 -6.113 0.003 -17.253 1.00 0.00 N ATOM 285 CA ILE A 19 -4.946 -0.067 -18.124 1.00 0.00 C ATOM 286 C ILE A 19 -5.193 -1.006 -19.300 1.00 0.00 C ATOM 287 O ILE A 19 -5.781 -2.076 -19.141 1.00 0.00 O ATOM 288 CB ILE A 19 -3.698 -0.543 -17.356 1.00 0.00 C ATOM 289 CG1 ILE A 19 -3.962 -1.900 -16.701 1.00 0.00 C ATOM 290 CG2 ILE A 19 -3.296 0.486 -16.310 1.00 0.00 C ATOM 291 CD1 ILE A 19 -2.739 -2.504 -16.048 1.00 0.00 C ATOM 0 H ILE A 19 -6.497 -0.904 -16.988 1.00 0.00 H new ATOM 0 HA ILE A 19 -4.771 0.942 -18.498 1.00 0.00 H new ATOM 0 HB ILE A 19 -2.876 -0.655 -18.063 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -4.745 -1.786 -15.952 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -4.340 -2.591 -17.455 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -2.413 0.136 -15.776 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -3.072 1.434 -16.799 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -4.115 0.627 -15.605 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -3.000 -3.465 -15.604 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -1.961 -2.650 -16.797 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -2.373 -1.833 -15.271 1.00 0.00 H new ATOM 303 N SER A 20 -4.739 -0.598 -20.481 1.00 0.00 N ATOM 304 CA SER A 20 -4.912 -1.402 -21.686 1.00 0.00 C ATOM 305 C SER A 20 -4.239 -2.762 -21.533 1.00 0.00 C ATOM 306 O SER A 20 -3.037 -2.848 -21.278 1.00 0.00 O ATOM 307 CB SER A 20 -4.338 -0.669 -22.900 1.00 0.00 C ATOM 308 OG SER A 20 -5.030 -1.024 -24.084 1.00 0.00 O ATOM 0 H SER A 20 -4.249 0.284 -20.629 1.00 0.00 H new ATOM 0 HA SER A 20 -5.980 -1.560 -21.838 1.00 0.00 H new ATOM 0 HB2 SER A 20 -4.406 0.408 -22.744 1.00 0.00 H new ATOM 0 HB3 SER A 20 -3.280 -0.909 -23.007 1.00 0.00 H new ATOM 0 HG SER A 20 -5.994 -1.044 -23.906 1.00 0.00 H new ATOM 314 N LEU A 21 -5.023 -3.823 -21.690 1.00 0.00 N ATOM 315 CA LEU A 21 -4.504 -5.182 -21.570 1.00 0.00 C ATOM 316 C LEU A 21 -3.902 -5.654 -22.889 1.00 0.00 C ATOM 317 O LEU A 21 -3.152 -6.629 -22.928 1.00 0.00 O ATOM 318 CB LEU A 21 -5.616 -6.137 -21.133 1.00 0.00 C ATOM 319 CG LEU A 21 -6.992 -5.893 -21.754 1.00 0.00 C ATOM 320 CD1 LEU A 21 -6.928 -6.039 -23.267 1.00 0.00 C ATOM 321 CD2 LEU A 21 -8.019 -6.851 -21.167 1.00 0.00 C ATOM 0 H LEU A 21 -6.020 -3.769 -21.901 1.00 0.00 H new ATOM 0 HA LEU A 21 -3.718 -5.179 -20.814 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.308 -7.155 -21.371 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.713 -6.078 -20.049 1.00 0.00 H new ATOM 0 HG LEU A 21 -7.300 -4.874 -21.520 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -7.916 -5.862 -23.692 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -6.223 -5.313 -23.673 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -6.599 -7.046 -23.522 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -8.992 -6.663 -21.620 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -7.716 -7.878 -21.370 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -8.085 -6.698 -20.090 1.00 0.00 H new ATOM 333 N SER A 22 -4.235 -4.953 -23.969 1.00 0.00 N ATOM 334 CA SER A 22 -3.728 -5.302 -25.292 1.00 0.00 C ATOM 335 C SER A 22 -2.324 -4.742 -25.500 1.00 0.00 C ATOM 336 O SER A 22 -1.430 -5.444 -25.971 1.00 0.00 O ATOM 337 CB SER A 22 -4.667 -4.771 -26.376 1.00 0.00 C ATOM 338 OG SER A 22 -5.819 -5.588 -26.499 1.00 0.00 O ATOM 0 H SER A 22 -4.853 -4.141 -23.954 1.00 0.00 H new ATOM 0 HA SER A 22 -3.681 -6.389 -25.362 1.00 0.00 H new ATOM 0 HB2 SER A 22 -4.965 -3.751 -26.135 1.00 0.00 H new ATOM 0 HB3 SER A 22 -4.141 -4.733 -27.330 1.00 0.00 H new ATOM 0 HG SER A 22 -6.404 -5.226 -27.197 1.00 0.00 H new ATOM 344 N GLU A 23 -2.140 -3.474 -25.146 1.00 0.00 N ATOM 345 CA GLU A 23 -0.845 -2.821 -25.295 1.00 0.00 C ATOM 346 C GLU A 23 0.181 -3.422 -24.339 1.00 0.00 C ATOM 347 O GLU A 23 1.386 -3.368 -24.590 1.00 0.00 O ATOM 348 CB GLU A 23 -0.976 -1.317 -25.041 1.00 0.00 C ATOM 349 CG GLU A 23 -1.957 -0.625 -25.973 1.00 0.00 C ATOM 350 CD GLU A 23 -1.310 -0.167 -27.265 1.00 0.00 C ATOM 351 OE1 GLU A 23 -0.670 0.905 -27.261 1.00 0.00 O ATOM 352 OE2 GLU A 23 -1.444 -0.882 -28.281 1.00 0.00 O ATOM 0 H GLU A 23 -2.870 -2.879 -24.755 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.501 -2.982 -26.317 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.293 -1.157 -24.010 1.00 0.00 H new ATOM 0 HB3 GLU A 23 0.004 -0.852 -25.149 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -2.776 -1.306 -26.203 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -2.391 0.235 -25.464 1.00 0.00 H new ATOM 359 N LEU A 24 -0.304 -3.993 -23.243 1.00 0.00 N ATOM 360 CA LEU A 24 0.570 -4.604 -22.248 1.00 0.00 C ATOM 361 C LEU A 24 1.354 -5.765 -22.851 1.00 0.00 C ATOM 362 O LEU A 24 2.584 -5.739 -22.902 1.00 0.00 O ATOM 363 CB LEU A 24 -0.249 -5.094 -21.052 1.00 0.00 C ATOM 364 CG LEU A 24 0.436 -6.112 -20.140 1.00 0.00 C ATOM 365 CD1 LEU A 24 0.202 -7.526 -20.649 1.00 0.00 C ATOM 366 CD2 LEU A 24 1.926 -5.819 -20.039 1.00 0.00 C ATOM 0 H LEU A 24 -1.298 -4.046 -23.020 1.00 0.00 H new ATOM 0 HA LEU A 24 1.278 -3.848 -21.910 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.530 -4.229 -20.451 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.173 -5.535 -21.426 1.00 0.00 H new ATOM 0 HG LEU A 24 0.002 -6.030 -19.144 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.697 -8.237 -19.988 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -0.868 -7.733 -20.669 1.00 0.00 H new ATOM 0 HD13 LEU A 24 0.609 -7.622 -21.655 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.398 -6.553 -19.386 1.00 0.00 H new ATOM 0 HD22 LEU A 24 2.376 -5.873 -21.031 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.073 -4.820 -19.628 1.00 0.00 H new ATOM 378 N THR A 25 0.633 -6.784 -23.310 1.00 0.00 N ATOM 379 CA THR A 25 1.260 -7.954 -23.912 1.00 0.00 C ATOM 380 C THR A 25 2.203 -7.553 -25.041 1.00 0.00 C ATOM 381 O THR A 25 3.247 -8.175 -25.241 1.00 0.00 O ATOM 382 CB THR A 25 0.208 -8.936 -24.460 1.00 0.00 C ATOM 383 OG1 THR A 25 0.842 -9.929 -25.274 1.00 0.00 O ATOM 384 CG2 THR A 25 -0.844 -8.200 -25.276 1.00 0.00 C ATOM 0 H THR A 25 -0.386 -6.822 -23.276 1.00 0.00 H new ATOM 0 HA THR A 25 1.830 -8.447 -23.125 1.00 0.00 H new ATOM 0 HB THR A 25 -0.282 -9.419 -23.615 1.00 0.00 H new ATOM 0 HG1 THR A 25 0.773 -9.672 -26.217 1.00 0.00 H new ATOM 0 HG21 THR A 25 -1.577 -8.913 -25.653 1.00 0.00 H new ATOM 0 HG22 THR A 25 -1.344 -7.465 -24.646 1.00 0.00 H new ATOM 0 HG23 THR A 25 -0.366 -7.694 -26.114 1.00 0.00 H new ATOM 392 N ASP A 26 1.828 -6.512 -25.776 1.00 0.00 N ATOM 393 CA ASP A 26 2.642 -6.027 -26.885 1.00 0.00 C ATOM 394 C ASP A 26 3.802 -5.178 -26.377 1.00 0.00 C ATOM 395 O ASP A 26 4.798 -4.988 -27.075 1.00 0.00 O ATOM 396 CB ASP A 26 1.785 -5.214 -27.857 1.00 0.00 C ATOM 397 CG ASP A 26 2.347 -5.216 -29.265 1.00 0.00 C ATOM 398 OD1 ASP A 26 2.032 -6.153 -30.028 1.00 0.00 O ATOM 399 OD2 ASP A 26 3.102 -4.280 -29.604 1.00 0.00 O ATOM 0 H ASP A 26 0.966 -5.988 -25.624 1.00 0.00 H new ATOM 0 HA ASP A 26 3.051 -6.891 -27.409 1.00 0.00 H new ATOM 0 HB2 ASP A 26 0.774 -5.620 -27.872 1.00 0.00 H new ATOM 0 HB3 ASP A 26 1.711 -4.187 -27.500 1.00 0.00 H new ATOM 404 N ALA A 27 3.666 -4.668 -25.157 1.00 0.00 N ATOM 405 CA ALA A 27 4.703 -3.839 -24.555 1.00 0.00 C ATOM 406 C ALA A 27 5.738 -4.695 -23.832 1.00 0.00 C ATOM 407 O ALA A 27 6.920 -4.350 -23.785 1.00 0.00 O ATOM 408 CB ALA A 27 4.084 -2.833 -23.596 1.00 0.00 C ATOM 0 H ALA A 27 2.848 -4.815 -24.566 1.00 0.00 H new ATOM 0 HA ALA A 27 5.211 -3.298 -25.353 1.00 0.00 H new ATOM 0 HB1 ALA A 27 4.870 -2.221 -23.154 1.00 0.00 H new ATOM 0 HB2 ALA A 27 3.388 -2.194 -24.139 1.00 0.00 H new ATOM 0 HB3 ALA A 27 3.550 -3.363 -22.807 1.00 0.00 H new ATOM 414 N LEU A 28 5.288 -5.810 -23.269 1.00 0.00 N ATOM 415 CA LEU A 28 6.176 -6.715 -22.547 1.00 0.00 C ATOM 416 C LEU A 28 7.393 -7.074 -23.393 1.00 0.00 C ATOM 417 O LEU A 28 8.449 -7.421 -22.863 1.00 0.00 O ATOM 418 CB LEU A 28 5.425 -7.987 -22.148 1.00 0.00 C ATOM 419 CG LEU A 28 4.811 -7.993 -20.748 1.00 0.00 C ATOM 420 CD1 LEU A 28 3.943 -9.226 -20.551 1.00 0.00 C ATOM 421 CD2 LEU A 28 5.900 -7.930 -19.688 1.00 0.00 C ATOM 0 H LEU A 28 4.313 -6.110 -23.298 1.00 0.00 H new ATOM 0 HA LEU A 28 6.520 -6.206 -21.647 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.629 -8.157 -22.873 1.00 0.00 H new ATOM 0 HB3 LEU A 28 6.112 -8.830 -22.225 1.00 0.00 H new ATOM 0 HG LEU A 28 4.180 -7.110 -20.645 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.515 -9.213 -19.549 1.00 0.00 H new ATOM 0 HD12 LEU A 28 3.141 -9.228 -21.289 1.00 0.00 H new ATOM 0 HD13 LEU A 28 4.551 -10.122 -20.674 1.00 0.00 H new ATOM 0 HD21 LEU A 28 5.445 -7.935 -18.698 1.00 0.00 H new ATOM 0 HD22 LEU A 28 6.557 -8.794 -19.790 1.00 0.00 H new ATOM 0 HD23 LEU A 28 6.480 -7.016 -19.816 1.00 0.00 H new ATOM 433 N ARG A 29 7.239 -6.985 -24.710 1.00 0.00 N ATOM 434 CA ARG A 29 8.326 -7.299 -25.629 1.00 0.00 C ATOM 435 C ARG A 29 9.536 -6.408 -25.365 1.00 0.00 C ATOM 436 O ARG A 29 10.681 -6.827 -25.538 1.00 0.00 O ATOM 437 CB ARG A 29 7.863 -7.131 -27.077 1.00 0.00 C ATOM 438 CG ARG A 29 7.681 -5.681 -27.495 1.00 0.00 C ATOM 439 CD ARG A 29 7.032 -5.573 -28.866 1.00 0.00 C ATOM 440 NE ARG A 29 8.003 -5.244 -29.906 1.00 0.00 N ATOM 441 CZ ARG A 29 7.667 -4.939 -31.155 1.00 0.00 C ATOM 442 NH1 ARG A 29 6.391 -4.920 -31.516 1.00 0.00 N ATOM 443 NH2 ARG A 29 8.608 -4.651 -32.045 1.00 0.00 N ATOM 0 H ARG A 29 6.372 -6.698 -25.164 1.00 0.00 H new ATOM 0 HA ARG A 29 8.617 -8.337 -25.466 1.00 0.00 H new ATOM 0 HB2 ARG A 29 8.590 -7.602 -27.739 1.00 0.00 H new ATOM 0 HB3 ARG A 29 6.919 -7.660 -27.211 1.00 0.00 H new ATOM 0 HG2 ARG A 29 7.066 -5.163 -26.759 1.00 0.00 H new ATOM 0 HG3 ARG A 29 8.650 -5.181 -27.509 1.00 0.00 H new ATOM 0 HD2 ARG A 29 6.543 -6.516 -29.111 1.00 0.00 H new ATOM 0 HD3 ARG A 29 6.255 -4.809 -28.840 1.00 0.00 H new ATOM 0 HE ARG A 29 8.993 -5.249 -29.660 1.00 0.00 H new ATOM 0 HH11 ARG A 29 5.665 -5.140 -30.834 1.00 0.00 H new ATOM 0 HH12 ARG A 29 6.136 -4.686 -32.475 1.00 0.00 H new ATOM 0 HH21 ARG A 29 9.590 -4.664 -31.771 1.00 0.00 H new ATOM 0 HH22 ARG A 29 8.349 -4.417 -33.003 1.00 0.00 H new ATOM 457 N THR A 30 9.275 -5.174 -24.944 1.00 0.00 N ATOM 458 CA THR A 30 10.342 -4.222 -24.657 1.00 0.00 C ATOM 459 C THR A 30 10.994 -4.516 -23.311 1.00 0.00 C ATOM 460 O THR A 30 12.162 -4.195 -23.092 1.00 0.00 O ATOM 461 CB THR A 30 9.817 -2.774 -24.656 1.00 0.00 C ATOM 462 OG1 THR A 30 10.883 -1.867 -24.956 1.00 0.00 O ATOM 463 CG2 THR A 30 9.208 -2.421 -23.307 1.00 0.00 C ATOM 0 H THR A 30 8.334 -4.810 -24.794 1.00 0.00 H new ATOM 0 HA THR A 30 11.084 -4.331 -25.448 1.00 0.00 H new ATOM 0 HB THR A 30 9.043 -2.690 -25.419 1.00 0.00 H new ATOM 0 HG1 THR A 30 10.541 -0.949 -24.955 1.00 0.00 H new ATOM 0 HG21 THR A 30 8.844 -1.394 -23.330 1.00 0.00 H new ATOM 0 HG22 THR A 30 8.378 -3.095 -23.095 1.00 0.00 H new ATOM 0 HG23 THR A 30 9.965 -2.521 -22.529 1.00 0.00 H new ATOM 471 N LEU A 31 10.232 -5.130 -22.412 1.00 0.00 N ATOM 472 CA LEU A 31 10.736 -5.468 -21.086 1.00 0.00 C ATOM 473 C LEU A 31 11.642 -6.694 -21.144 1.00 0.00 C ATOM 474 O LEU A 31 12.243 -7.083 -20.143 1.00 0.00 O ATOM 475 CB LEU A 31 9.573 -5.725 -20.126 1.00 0.00 C ATOM 476 CG LEU A 31 9.156 -4.546 -19.246 1.00 0.00 C ATOM 477 CD1 LEU A 31 10.323 -4.080 -18.390 1.00 0.00 C ATOM 478 CD2 LEU A 31 8.628 -3.403 -20.101 1.00 0.00 C ATOM 0 H LEU A 31 9.263 -5.404 -22.577 1.00 0.00 H new ATOM 0 HA LEU A 31 11.320 -4.623 -20.721 1.00 0.00 H new ATOM 0 HB2 LEU A 31 8.708 -6.040 -20.710 1.00 0.00 H new ATOM 0 HB3 LEU A 31 9.841 -6.559 -19.478 1.00 0.00 H new ATOM 0 HG LEU A 31 8.356 -4.877 -18.583 1.00 0.00 H new ATOM 0 HD11 LEU A 31 10.007 -3.240 -17.771 1.00 0.00 H new ATOM 0 HD12 LEU A 31 10.655 -4.898 -17.751 1.00 0.00 H new ATOM 0 HD13 LEU A 31 11.145 -3.767 -19.034 1.00 0.00 H new ATOM 0 HD21 LEU A 31 8.336 -2.573 -19.458 1.00 0.00 H new ATOM 0 HD22 LEU A 31 9.407 -3.073 -20.789 1.00 0.00 H new ATOM 0 HD23 LEU A 31 7.763 -3.744 -20.669 1.00 0.00 H new ATOM 490 N GLY A 32 11.738 -7.298 -22.325 1.00 0.00 N ATOM 491 CA GLY A 32 12.574 -8.471 -22.493 1.00 0.00 C ATOM 492 C GLY A 32 11.834 -9.759 -22.188 1.00 0.00 C ATOM 493 O GLY A 32 12.442 -10.826 -22.101 1.00 0.00 O ATOM 0 H GLY A 32 11.251 -6.995 -23.168 1.00 0.00 H new ATOM 0 HA2 GLY A 32 12.947 -8.504 -23.517 1.00 0.00 H new ATOM 0 HA3 GLY A 32 13.443 -8.391 -21.839 1.00 0.00 H new ATOM 497 N SER A 33 10.519 -9.659 -22.025 1.00 0.00 N ATOM 498 CA SER A 33 9.696 -10.824 -21.722 1.00 0.00 C ATOM 499 C SER A 33 9.656 -11.784 -22.908 1.00 0.00 C ATOM 500 O SER A 33 9.450 -11.372 -24.050 1.00 0.00 O ATOM 501 CB SER A 33 8.275 -10.390 -21.355 1.00 0.00 C ATOM 502 OG SER A 33 7.925 -10.837 -20.057 1.00 0.00 O ATOM 0 H SER A 33 10.001 -8.784 -22.098 1.00 0.00 H new ATOM 0 HA SER A 33 10.141 -11.341 -20.872 1.00 0.00 H new ATOM 0 HB2 SER A 33 8.200 -9.304 -21.402 1.00 0.00 H new ATOM 0 HB3 SER A 33 7.570 -10.790 -22.083 1.00 0.00 H new ATOM 0 HG SER A 33 6.958 -10.990 -20.013 1.00 0.00 H new ATOM 508 N THR A 34 9.856 -13.068 -22.629 1.00 0.00 N ATOM 509 CA THR A 34 9.845 -14.088 -23.670 1.00 0.00 C ATOM 510 C THR A 34 8.528 -14.856 -23.673 1.00 0.00 C ATOM 511 O THR A 34 8.459 -15.985 -24.158 1.00 0.00 O ATOM 512 CB THR A 34 11.007 -15.083 -23.494 1.00 0.00 C ATOM 513 OG1 THR A 34 11.094 -15.942 -24.637 1.00 0.00 O ATOM 514 CG2 THR A 34 10.818 -15.920 -22.238 1.00 0.00 C ATOM 0 H THR A 34 10.028 -13.427 -21.690 1.00 0.00 H new ATOM 0 HA THR A 34 9.962 -13.570 -24.622 1.00 0.00 H new ATOM 0 HB THR A 34 11.931 -14.514 -23.396 1.00 0.00 H new ATOM 0 HG1 THR A 34 10.201 -16.276 -24.864 1.00 0.00 H new ATOM 0 HG21 THR A 34 11.651 -16.615 -22.135 1.00 0.00 H new ATOM 0 HG22 THR A 34 10.782 -15.266 -21.367 1.00 0.00 H new ATOM 0 HG23 THR A 34 9.885 -16.480 -22.311 1.00 0.00 H new ATOM 522 N SER A 35 7.486 -14.237 -23.129 1.00 0.00 N ATOM 523 CA SER A 35 6.171 -14.865 -23.066 1.00 0.00 C ATOM 524 C SER A 35 5.083 -13.893 -23.513 1.00 0.00 C ATOM 525 O SER A 35 3.904 -14.088 -23.221 1.00 0.00 O ATOM 526 CB SER A 35 5.883 -15.353 -21.645 1.00 0.00 C ATOM 527 OG SER A 35 6.878 -16.263 -21.207 1.00 0.00 O ATOM 0 H SER A 35 7.526 -13.301 -22.725 1.00 0.00 H new ATOM 0 HA SER A 35 6.171 -15.720 -23.743 1.00 0.00 H new ATOM 0 HB2 SER A 35 5.840 -14.501 -20.966 1.00 0.00 H new ATOM 0 HB3 SER A 35 4.906 -15.835 -21.614 1.00 0.00 H new ATOM 0 HG SER A 35 6.672 -16.559 -20.296 1.00 0.00 H new ATOM 533 N ALA A 36 5.489 -12.846 -24.222 1.00 0.00 N ATOM 534 CA ALA A 36 4.550 -11.844 -24.711 1.00 0.00 C ATOM 535 C ALA A 36 3.418 -12.492 -25.501 1.00 0.00 C ATOM 536 O ALA A 36 2.319 -11.944 -25.594 1.00 0.00 O ATOM 537 CB ALA A 36 5.274 -10.816 -25.569 1.00 0.00 C ATOM 0 H ALA A 36 6.462 -12.669 -24.471 1.00 0.00 H new ATOM 0 HA ALA A 36 4.114 -11.339 -23.849 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.561 -10.074 -25.927 1.00 0.00 H new ATOM 0 HB2 ALA A 36 6.043 -10.323 -24.975 1.00 0.00 H new ATOM 0 HB3 ALA A 36 5.738 -11.314 -26.420 1.00 0.00 H new ATOM 543 N ASP A 37 3.694 -13.661 -26.070 1.00 0.00 N ATOM 544 CA ASP A 37 2.698 -14.384 -26.853 1.00 0.00 C ATOM 545 C ASP A 37 1.775 -15.191 -25.945 1.00 0.00 C ATOM 546 O ASP A 37 0.606 -15.403 -26.264 1.00 0.00 O ATOM 547 CB ASP A 37 3.383 -15.310 -27.859 1.00 0.00 C ATOM 548 CG ASP A 37 4.644 -14.702 -28.440 1.00 0.00 C ATOM 549 OD1 ASP A 37 4.538 -13.685 -29.157 1.00 0.00 O ATOM 550 OD2 ASP A 37 5.739 -15.242 -28.176 1.00 0.00 O ATOM 0 H ASP A 37 4.599 -14.128 -26.004 1.00 0.00 H new ATOM 0 HA ASP A 37 2.097 -13.654 -27.395 1.00 0.00 H new ATOM 0 HB2 ASP A 37 3.629 -16.253 -27.371 1.00 0.00 H new ATOM 0 HB3 ASP A 37 2.689 -15.541 -28.667 1.00 0.00 H new ATOM 555 N GLU A 38 2.311 -15.641 -24.815 1.00 0.00 N ATOM 556 CA GLU A 38 1.536 -16.427 -23.862 1.00 0.00 C ATOM 557 C GLU A 38 0.713 -15.521 -22.951 1.00 0.00 C ATOM 558 O GLU A 38 -0.361 -15.901 -22.484 1.00 0.00 O ATOM 559 CB GLU A 38 2.461 -17.309 -23.022 1.00 0.00 C ATOM 560 CG GLU A 38 1.723 -18.330 -22.172 1.00 0.00 C ATOM 561 CD GLU A 38 1.418 -19.608 -22.929 1.00 0.00 C ATOM 562 OE1 GLU A 38 1.705 -19.661 -24.143 1.00 0.00 O ATOM 563 OE2 GLU A 38 0.892 -20.555 -22.308 1.00 0.00 O ATOM 0 H GLU A 38 3.278 -15.475 -24.537 1.00 0.00 H new ATOM 0 HA GLU A 38 0.853 -17.063 -24.426 1.00 0.00 H new ATOM 0 HB2 GLU A 38 3.151 -17.831 -23.684 1.00 0.00 H new ATOM 0 HB3 GLU A 38 3.062 -16.674 -22.371 1.00 0.00 H new ATOM 0 HG2 GLU A 38 2.323 -18.567 -21.293 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.791 -17.893 -21.814 1.00 0.00 H new ATOM 570 N VAL A 39 1.226 -14.320 -22.701 1.00 0.00 N ATOM 571 CA VAL A 39 0.540 -13.359 -21.846 1.00 0.00 C ATOM 572 C VAL A 39 -0.676 -12.766 -22.550 1.00 0.00 C ATOM 573 O VAL A 39 -1.682 -12.453 -21.914 1.00 0.00 O ATOM 574 CB VAL A 39 1.480 -12.216 -21.420 1.00 0.00 C ATOM 575 CG1 VAL A 39 1.881 -11.377 -22.624 1.00 0.00 C ATOM 576 CG2 VAL A 39 0.820 -11.353 -20.355 1.00 0.00 C ATOM 0 H VAL A 39 2.114 -13.990 -23.079 1.00 0.00 H new ATOM 0 HA VAL A 39 0.214 -13.902 -20.959 1.00 0.00 H new ATOM 0 HB VAL A 39 2.384 -12.652 -20.994 1.00 0.00 H new ATOM 0 HG11 VAL A 39 2.545 -10.574 -22.303 1.00 0.00 H new ATOM 0 HG12 VAL A 39 2.396 -12.006 -23.350 1.00 0.00 H new ATOM 0 HG13 VAL A 39 0.990 -10.949 -23.082 1.00 0.00 H new ATOM 0 HG21 VAL A 39 1.498 -10.550 -20.065 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -0.100 -10.925 -20.752 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.589 -11.965 -19.483 1.00 0.00 H new ATOM 586 N GLN A 40 -0.575 -12.616 -23.867 1.00 0.00 N ATOM 587 CA GLN A 40 -1.667 -12.061 -24.658 1.00 0.00 C ATOM 588 C GLN A 40 -2.937 -12.887 -24.488 1.00 0.00 C ATOM 589 O GLN A 40 -4.039 -12.343 -24.418 1.00 0.00 O ATOM 590 CB GLN A 40 -1.276 -12.002 -26.135 1.00 0.00 C ATOM 591 CG GLN A 40 -2.458 -12.129 -27.083 1.00 0.00 C ATOM 592 CD GLN A 40 -2.041 -12.119 -28.541 1.00 0.00 C ATOM 593 OE1 GLN A 40 -0.984 -12.857 -28.859 1.00 0.00 O flip ATOM 594 NE2 GLN A 40 -2.663 -11.456 -29.371 1.00 0.00 N flip ATOM 0 H GLN A 40 0.251 -12.871 -24.408 1.00 0.00 H new ATOM 0 HA GLN A 40 -1.863 -11.050 -24.301 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -0.765 -11.059 -26.329 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -0.564 -12.800 -26.346 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -2.993 -13.054 -26.868 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -3.153 -11.309 -26.902 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -3.470 -10.903 -29.081 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -2.372 -11.459 -30.348 1.00 0.00 H new ATOM 603 N ARG A 41 -2.775 -14.205 -24.422 1.00 0.00 N ATOM 604 CA ARG A 41 -3.910 -15.107 -24.263 1.00 0.00 C ATOM 605 C ARG A 41 -4.306 -15.226 -22.794 1.00 0.00 C ATOM 606 O ARG A 41 -5.429 -15.616 -22.474 1.00 0.00 O ATOM 607 CB ARG A 41 -3.573 -16.489 -24.825 1.00 0.00 C ATOM 608 CG ARG A 41 -2.314 -17.099 -24.229 1.00 0.00 C ATOM 609 CD ARG A 41 -2.006 -18.454 -24.847 1.00 0.00 C ATOM 610 NE ARG A 41 -2.819 -19.518 -24.266 1.00 0.00 N ATOM 611 CZ ARG A 41 -2.679 -20.802 -24.575 1.00 0.00 C ATOM 612 NH1 ARG A 41 -1.762 -21.179 -25.456 1.00 0.00 N ATOM 613 NH2 ARG A 41 -3.457 -21.713 -24.004 1.00 0.00 N ATOM 0 H ARG A 41 -1.870 -14.672 -24.476 1.00 0.00 H new ATOM 0 HA ARG A 41 -4.752 -14.693 -24.817 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -4.413 -17.160 -24.644 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -3.453 -16.413 -25.906 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -1.472 -16.426 -24.387 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -2.436 -17.208 -23.151 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -2.181 -18.410 -25.922 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -0.950 -18.686 -24.705 1.00 0.00 H new ATOM 0 HE ARG A 41 -3.534 -19.261 -23.585 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -1.162 -20.482 -25.898 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -1.656 -22.166 -25.692 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -4.164 -21.427 -23.327 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -3.348 -22.699 -24.243 1.00 0.00 H new ATOM 627 N MET A 42 -3.377 -14.888 -21.906 1.00 0.00 N ATOM 628 CA MET A 42 -3.630 -14.957 -20.471 1.00 0.00 C ATOM 629 C MET A 42 -4.423 -13.742 -20.000 1.00 0.00 C ATOM 630 O MET A 42 -5.412 -13.875 -19.281 1.00 0.00 O ATOM 631 CB MET A 42 -2.311 -15.050 -19.703 1.00 0.00 C ATOM 632 CG MET A 42 -1.577 -16.364 -19.911 1.00 0.00 C ATOM 633 SD MET A 42 -2.092 -17.639 -18.745 1.00 0.00 S ATOM 634 CE MET A 42 -1.742 -19.122 -19.688 1.00 0.00 C ATOM 0 H MET A 42 -2.442 -14.564 -22.154 1.00 0.00 H new ATOM 0 HA MET A 42 -4.220 -15.852 -20.274 1.00 0.00 H new ATOM 0 HB2 MET A 42 -1.663 -14.229 -20.010 1.00 0.00 H new ATOM 0 HB3 MET A 42 -2.510 -14.919 -18.639 1.00 0.00 H new ATOM 0 HG2 MET A 42 -1.751 -16.716 -20.928 1.00 0.00 H new ATOM 0 HG3 MET A 42 -0.505 -16.197 -19.810 1.00 0.00 H new ATOM 0 HE1 MET A 42 -2.008 -19.999 -19.099 1.00 0.00 H new ATOM 0 HE2 MET A 42 -2.324 -19.113 -20.609 1.00 0.00 H new ATOM 0 HE3 MET A 42 -0.680 -19.157 -19.930 1.00 0.00 H new ATOM 644 N MET A 43 -3.981 -12.557 -20.411 1.00 0.00 N ATOM 645 CA MET A 43 -4.650 -11.319 -20.030 1.00 0.00 C ATOM 646 C MET A 43 -6.127 -11.360 -20.411 1.00 0.00 C ATOM 647 O MET A 43 -6.952 -10.677 -19.805 1.00 0.00 O ATOM 648 CB MET A 43 -3.972 -10.122 -20.699 1.00 0.00 C ATOM 649 CG MET A 43 -3.768 -10.297 -22.195 1.00 0.00 C ATOM 650 SD MET A 43 -4.838 -9.224 -23.173 1.00 0.00 S ATOM 651 CE MET A 43 -4.093 -9.388 -24.793 1.00 0.00 C ATOM 0 H MET A 43 -3.163 -12.429 -21.007 1.00 0.00 H new ATOM 0 HA MET A 43 -4.575 -11.212 -18.948 1.00 0.00 H new ATOM 0 HB2 MET A 43 -4.574 -9.230 -20.525 1.00 0.00 H new ATOM 0 HB3 MET A 43 -3.005 -9.952 -20.226 1.00 0.00 H new ATOM 0 HG2 MET A 43 -2.727 -10.089 -22.443 1.00 0.00 H new ATOM 0 HG3 MET A 43 -3.958 -11.336 -22.464 1.00 0.00 H new ATOM 0 HE1 MET A 43 -4.181 -8.444 -25.331 1.00 0.00 H new ATOM 0 HE2 MET A 43 -3.040 -9.648 -24.685 1.00 0.00 H new ATOM 0 HE3 MET A 43 -4.604 -10.172 -25.351 1.00 0.00 H new ATOM 661 N ALA A 44 -6.452 -12.164 -21.418 1.00 0.00 N ATOM 662 CA ALA A 44 -7.829 -12.295 -21.877 1.00 0.00 C ATOM 663 C ALA A 44 -8.692 -12.995 -20.833 1.00 0.00 C ATOM 664 O ALA A 44 -9.915 -12.862 -20.836 1.00 0.00 O ATOM 665 CB ALA A 44 -7.875 -13.052 -23.196 1.00 0.00 C ATOM 0 H ALA A 44 -5.780 -12.734 -21.931 1.00 0.00 H new ATOM 0 HA ALA A 44 -8.232 -11.294 -22.030 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -8.909 -13.143 -23.528 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -7.300 -12.510 -23.947 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -7.449 -14.046 -23.060 1.00 0.00 H new ATOM 671 N GLU A 45 -8.046 -13.741 -19.941 1.00 0.00 N ATOM 672 CA GLU A 45 -8.757 -14.462 -18.892 1.00 0.00 C ATOM 673 C GLU A 45 -9.290 -13.500 -17.835 1.00 0.00 C ATOM 674 O GLU A 45 -10.447 -13.592 -17.425 1.00 0.00 O ATOM 675 CB GLU A 45 -7.836 -15.495 -18.240 1.00 0.00 C ATOM 676 CG GLU A 45 -7.273 -16.513 -19.217 1.00 0.00 C ATOM 677 CD GLU A 45 -6.700 -17.734 -18.523 1.00 0.00 C ATOM 678 OE1 GLU A 45 -6.417 -17.649 -17.310 1.00 0.00 O ATOM 679 OE2 GLU A 45 -6.536 -18.774 -19.195 1.00 0.00 O ATOM 0 H GLU A 45 -7.033 -13.861 -19.924 1.00 0.00 H new ATOM 0 HA GLU A 45 -9.603 -14.976 -19.349 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -7.010 -14.976 -17.753 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -8.388 -16.020 -17.460 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -8.060 -16.826 -19.903 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -6.495 -16.042 -19.818 1.00 0.00 H new ATOM 686 N ILE A 46 -8.438 -12.579 -17.399 1.00 0.00 N ATOM 687 CA ILE A 46 -8.823 -11.599 -16.390 1.00 0.00 C ATOM 688 C ILE A 46 -9.867 -10.631 -16.935 1.00 0.00 C ATOM 689 O ILE A 46 -10.739 -10.165 -16.202 1.00 0.00 O ATOM 690 CB ILE A 46 -7.606 -10.797 -15.891 1.00 0.00 C ATOM 691 CG1 ILE A 46 -6.834 -10.211 -17.074 1.00 0.00 C ATOM 692 CG2 ILE A 46 -6.701 -11.680 -15.045 1.00 0.00 C ATOM 693 CD1 ILE A 46 -5.768 -9.218 -16.667 1.00 0.00 C ATOM 0 H ILE A 46 -7.477 -12.490 -17.728 1.00 0.00 H new ATOM 0 HA ILE A 46 -9.248 -12.156 -15.555 1.00 0.00 H new ATOM 0 HB ILE A 46 -7.961 -9.974 -15.270 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -6.368 -11.023 -17.632 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -7.536 -9.722 -17.749 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -5.846 -11.099 -14.700 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -7.257 -12.053 -14.185 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -6.351 -12.521 -15.643 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -5.261 -8.843 -17.556 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -6.230 -8.386 -16.135 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -5.044 -9.708 -16.016 1.00 0.00 H new ATOM 705 N ASP A 47 -9.773 -10.333 -18.227 1.00 0.00 N ATOM 706 CA ASP A 47 -10.711 -9.420 -18.871 1.00 0.00 C ATOM 707 C ASP A 47 -12.094 -10.055 -18.988 1.00 0.00 C ATOM 708 O ASP A 47 -12.311 -10.952 -19.803 1.00 0.00 O ATOM 709 CB ASP A 47 -10.200 -9.026 -20.258 1.00 0.00 C ATOM 710 CG ASP A 47 -10.866 -7.771 -20.783 1.00 0.00 C ATOM 711 OD1 ASP A 47 -11.577 -7.067 -19.909 1.00 0.00 O ATOM 712 OD2 ASP A 47 -10.744 -7.436 -21.962 1.00 0.00 O ATOM 0 H ASP A 47 -9.057 -10.710 -18.848 1.00 0.00 H new ATOM 0 HA ASP A 47 -10.792 -8.526 -18.253 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -9.122 -8.871 -20.215 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -10.377 -9.846 -20.954 1.00 0.00 H new ATOM 717 N THR A 48 -13.027 -9.582 -18.167 1.00 0.00 N ATOM 718 CA THR A 48 -14.388 -10.102 -18.178 1.00 0.00 C ATOM 719 C THR A 48 -15.270 -9.316 -19.141 1.00 0.00 C ATOM 720 O THR A 48 -16.340 -9.778 -19.537 1.00 0.00 O ATOM 721 CB THR A 48 -15.017 -10.058 -16.772 1.00 0.00 C ATOM 722 OG1 THR A 48 -16.380 -10.494 -16.831 1.00 0.00 O ATOM 723 CG2 THR A 48 -14.953 -8.652 -16.194 1.00 0.00 C ATOM 0 H THR A 48 -12.864 -8.840 -17.486 1.00 0.00 H new ATOM 0 HA THR A 48 -14.327 -11.139 -18.509 1.00 0.00 H new ATOM 0 HB THR A 48 -14.450 -10.726 -16.123 1.00 0.00 H new ATOM 0 HG1 THR A 48 -16.689 -10.476 -17.761 1.00 0.00 H new ATOM 0 HG21 THR A 48 -15.403 -8.646 -15.201 1.00 0.00 H new ATOM 0 HG22 THR A 48 -13.913 -8.335 -16.123 1.00 0.00 H new ATOM 0 HG23 THR A 48 -15.498 -7.967 -16.843 1.00 0.00 H new ATOM 731 N ASP A 49 -14.814 -8.125 -19.515 1.00 0.00 N ATOM 732 CA ASP A 49 -15.562 -7.275 -20.435 1.00 0.00 C ATOM 733 C ASP A 49 -14.938 -7.301 -21.827 1.00 0.00 C ATOM 734 O ASP A 49 -15.410 -6.626 -22.742 1.00 0.00 O ATOM 735 CB ASP A 49 -15.609 -5.839 -19.910 1.00 0.00 C ATOM 736 CG ASP A 49 -14.890 -5.682 -18.585 1.00 0.00 C ATOM 737 OD1 ASP A 49 -15.541 -5.854 -17.533 1.00 0.00 O ATOM 738 OD2 ASP A 49 -13.676 -5.387 -18.600 1.00 0.00 O ATOM 0 H ASP A 49 -13.931 -7.727 -19.196 1.00 0.00 H new ATOM 0 HA ASP A 49 -16.579 -7.662 -20.505 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -15.159 -5.172 -20.645 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -16.648 -5.532 -19.794 1.00 0.00 H new ATOM 743 N GLY A 50 -13.875 -8.083 -21.979 1.00 0.00 N ATOM 744 CA GLY A 50 -13.203 -8.181 -23.262 1.00 0.00 C ATOM 745 C GLY A 50 -12.929 -6.824 -23.878 1.00 0.00 C ATOM 746 O GLY A 50 -12.972 -6.668 -25.099 1.00 0.00 O ATOM 0 H GLY A 50 -13.466 -8.651 -21.237 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -12.262 -8.716 -23.136 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -13.815 -8.770 -23.945 1.00 0.00 H new ATOM 750 N ASP A 51 -12.647 -5.839 -23.033 1.00 0.00 N ATOM 751 CA ASP A 51 -12.365 -4.487 -23.501 1.00 0.00 C ATOM 752 C ASP A 51 -10.865 -4.207 -23.483 1.00 0.00 C ATOM 753 O ASP A 51 -10.084 -4.991 -22.946 1.00 0.00 O ATOM 754 CB ASP A 51 -13.098 -3.461 -22.635 1.00 0.00 C ATOM 755 CG ASP A 51 -12.438 -3.268 -21.283 1.00 0.00 C ATOM 756 OD1 ASP A 51 -12.199 -4.279 -20.589 1.00 0.00 O ATOM 757 OD2 ASP A 51 -12.161 -2.106 -20.919 1.00 0.00 O ATOM 0 H ASP A 51 -12.608 -5.951 -22.020 1.00 0.00 H new ATOM 0 HA ASP A 51 -12.720 -4.404 -24.528 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -13.133 -2.506 -23.159 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -14.129 -3.783 -22.490 1.00 0.00 H new ATOM 762 N GLY A 52 -10.470 -3.084 -24.075 1.00 0.00 N ATOM 763 CA GLY A 52 -9.066 -2.722 -24.117 1.00 0.00 C ATOM 764 C GLY A 52 -8.607 -2.030 -22.849 1.00 0.00 C ATOM 765 O GLY A 52 -7.841 -1.068 -22.900 1.00 0.00 O ATOM 0 H GLY A 52 -11.098 -2.419 -24.526 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -8.467 -3.619 -24.275 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -8.888 -2.066 -24.970 1.00 0.00 H new ATOM 769 N PHE A 53 -9.078 -2.520 -21.706 1.00 0.00 N ATOM 770 CA PHE A 53 -8.713 -1.940 -20.419 1.00 0.00 C ATOM 771 C PHE A 53 -9.039 -2.900 -19.278 1.00 0.00 C ATOM 772 O PHE A 53 -9.971 -3.700 -19.374 1.00 0.00 O ATOM 773 CB PHE A 53 -9.445 -0.613 -20.208 1.00 0.00 C ATOM 774 CG PHE A 53 -8.735 0.565 -20.811 1.00 0.00 C ATOM 775 CD1 PHE A 53 -7.552 1.034 -20.262 1.00 0.00 C ATOM 776 CD2 PHE A 53 -9.249 1.204 -21.928 1.00 0.00 C ATOM 777 CE1 PHE A 53 -6.897 2.118 -20.814 1.00 0.00 C ATOM 778 CE2 PHE A 53 -8.599 2.288 -22.485 1.00 0.00 C ATOM 779 CZ PHE A 53 -7.420 2.745 -21.928 1.00 0.00 C ATOM 0 H PHE A 53 -9.712 -3.316 -21.645 1.00 0.00 H new ATOM 0 HA PHE A 53 -7.638 -1.758 -20.422 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -10.443 -0.685 -20.639 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -9.571 -0.443 -19.139 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -7.137 0.546 -19.392 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -10.169 0.850 -22.369 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -5.977 2.475 -20.375 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -9.012 2.778 -23.355 1.00 0.00 H new ATOM 0 HZ PHE A 53 -6.908 3.591 -22.363 1.00 0.00 H new ATOM 789 N ILE A 54 -8.266 -2.814 -18.201 1.00 0.00 N ATOM 790 CA ILE A 54 -8.473 -3.674 -17.043 1.00 0.00 C ATOM 791 C ILE A 54 -8.252 -2.908 -15.743 1.00 0.00 C ATOM 792 O ILE A 54 -7.294 -2.146 -15.615 1.00 0.00 O ATOM 793 CB ILE A 54 -7.533 -4.894 -17.072 1.00 0.00 C ATOM 794 CG1 ILE A 54 -6.091 -4.448 -17.322 1.00 0.00 C ATOM 795 CG2 ILE A 54 -7.980 -5.881 -18.140 1.00 0.00 C ATOM 796 CD1 ILE A 54 -5.063 -5.501 -16.969 1.00 0.00 C ATOM 0 H ILE A 54 -7.491 -2.158 -18.106 1.00 0.00 H new ATOM 0 HA ILE A 54 -9.506 -4.020 -17.088 1.00 0.00 H new ATOM 0 HB ILE A 54 -7.577 -5.392 -16.103 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -5.979 -4.180 -18.373 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -5.892 -3.548 -16.741 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -7.306 -6.738 -18.149 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -8.993 -6.218 -17.922 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -7.961 -5.395 -19.115 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -4.064 -5.116 -17.172 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -5.148 -5.752 -15.912 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -5.236 -6.394 -17.569 1.00 0.00 H new ATOM 808 N ASP A 55 -9.143 -3.117 -14.781 1.00 0.00 N ATOM 809 CA ASP A 55 -9.045 -2.449 -13.488 1.00 0.00 C ATOM 810 C ASP A 55 -8.137 -3.228 -12.541 1.00 0.00 C ATOM 811 O ASP A 55 -7.671 -4.319 -12.869 1.00 0.00 O ATOM 812 CB ASP A 55 -10.433 -2.287 -12.867 1.00 0.00 C ATOM 813 CG ASP A 55 -11.475 -1.860 -13.881 1.00 0.00 C ATOM 814 OD1 ASP A 55 -11.850 -2.694 -14.732 1.00 0.00 O ATOM 815 OD2 ASP A 55 -11.916 -0.693 -13.825 1.00 0.00 O ATOM 0 H ASP A 55 -9.942 -3.744 -14.872 1.00 0.00 H new ATOM 0 HA ASP A 55 -8.611 -1.462 -13.649 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -10.737 -3.230 -12.413 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -10.386 -1.549 -12.066 1.00 0.00 H new ATOM 820 N PHE A 56 -7.889 -2.659 -11.366 1.00 0.00 N ATOM 821 CA PHE A 56 -7.035 -3.298 -10.372 1.00 0.00 C ATOM 822 C PHE A 56 -7.498 -4.726 -10.095 1.00 0.00 C ATOM 823 O PHE A 56 -6.685 -5.638 -9.958 1.00 0.00 O ATOM 824 CB PHE A 56 -7.034 -2.490 -9.073 1.00 0.00 C ATOM 825 CG PHE A 56 -5.755 -2.608 -8.295 1.00 0.00 C ATOM 826 CD1 PHE A 56 -4.533 -2.378 -8.906 1.00 0.00 C ATOM 827 CD2 PHE A 56 -5.775 -2.948 -6.952 1.00 0.00 C ATOM 828 CE1 PHE A 56 -3.354 -2.486 -8.192 1.00 0.00 C ATOM 829 CE2 PHE A 56 -4.600 -3.057 -6.233 1.00 0.00 C ATOM 830 CZ PHE A 56 -3.388 -2.826 -6.854 1.00 0.00 C ATOM 0 H PHE A 56 -8.267 -1.756 -11.079 1.00 0.00 H new ATOM 0 HA PHE A 56 -6.021 -3.333 -10.770 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -7.212 -1.440 -9.307 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -7.863 -2.822 -8.447 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -4.501 -2.111 -9.952 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -6.720 -3.130 -6.461 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -2.408 -2.305 -8.680 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -4.629 -3.323 -5.187 1.00 0.00 H new ATOM 0 HZ PHE A 56 -2.468 -2.911 -6.294 1.00 0.00 H new ATOM 840 N ASN A 57 -8.812 -4.910 -10.014 1.00 0.00 N ATOM 841 CA ASN A 57 -9.385 -6.225 -9.753 1.00 0.00 C ATOM 842 C ASN A 57 -9.076 -7.190 -10.894 1.00 0.00 C ATOM 843 O ASN A 57 -8.763 -8.358 -10.664 1.00 0.00 O ATOM 844 CB ASN A 57 -10.899 -6.116 -9.558 1.00 0.00 C ATOM 845 CG ASN A 57 -11.344 -6.617 -8.198 1.00 0.00 C ATOM 846 OD1 ASN A 57 -12.176 -5.995 -7.537 1.00 0.00 O ATOM 847 ND2 ASN A 57 -10.791 -7.747 -7.774 1.00 0.00 N ATOM 0 H ASN A 57 -9.500 -4.165 -10.125 1.00 0.00 H new ATOM 0 HA ASN A 57 -8.935 -6.614 -8.840 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -11.204 -5.076 -9.677 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -11.405 -6.688 -10.336 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -11.052 -8.133 -6.867 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -10.105 -8.229 -8.356 1.00 0.00 H new ATOM 854 N GLU A 58 -9.166 -6.692 -12.123 1.00 0.00 N ATOM 855 CA GLU A 58 -8.896 -7.510 -13.299 1.00 0.00 C ATOM 856 C GLU A 58 -7.407 -7.827 -13.412 1.00 0.00 C ATOM 857 O GLU A 58 -7.014 -8.988 -13.526 1.00 0.00 O ATOM 858 CB GLU A 58 -9.374 -6.796 -14.565 1.00 0.00 C ATOM 859 CG GLU A 58 -10.879 -6.855 -14.765 1.00 0.00 C ATOM 860 CD GLU A 58 -11.307 -6.334 -16.124 1.00 0.00 C ATOM 861 OE1 GLU A 58 -11.165 -5.117 -16.364 1.00 0.00 O ATOM 862 OE2 GLU A 58 -11.784 -7.143 -16.946 1.00 0.00 O ATOM 0 H GLU A 58 -9.424 -5.727 -12.330 1.00 0.00 H new ATOM 0 HA GLU A 58 -9.442 -8.447 -13.191 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -9.062 -5.752 -14.523 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -8.883 -7.241 -15.430 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -11.217 -7.885 -14.652 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -11.369 -6.271 -13.985 1.00 0.00 H new ATOM 869 N PHE A 59 -6.583 -6.785 -13.380 1.00 0.00 N ATOM 870 CA PHE A 59 -5.137 -6.950 -13.480 1.00 0.00 C ATOM 871 C PHE A 59 -4.617 -7.865 -12.375 1.00 0.00 C ATOM 872 O PHE A 59 -3.704 -8.662 -12.593 1.00 0.00 O ATOM 873 CB PHE A 59 -4.440 -5.590 -13.402 1.00 0.00 C ATOM 874 CG PHE A 59 -2.964 -5.657 -13.672 1.00 0.00 C ATOM 875 CD1 PHE A 59 -2.486 -6.207 -14.851 1.00 0.00 C ATOM 876 CD2 PHE A 59 -2.055 -5.170 -12.747 1.00 0.00 C ATOM 877 CE1 PHE A 59 -1.129 -6.269 -15.103 1.00 0.00 C ATOM 878 CE2 PHE A 59 -0.696 -5.229 -12.994 1.00 0.00 C ATOM 879 CZ PHE A 59 -0.233 -5.781 -14.172 1.00 0.00 C ATOM 0 H PHE A 59 -6.891 -5.817 -13.286 1.00 0.00 H new ATOM 0 HA PHE A 59 -4.914 -7.409 -14.443 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -4.902 -4.912 -14.120 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -4.601 -5.164 -12.412 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -3.183 -6.592 -15.581 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -2.412 -4.740 -11.823 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -0.769 -6.698 -16.026 1.00 0.00 H new ATOM 0 HE2 PHE A 59 0.003 -4.844 -12.266 1.00 0.00 H new ATOM 0 HZ PHE A 59 0.828 -5.831 -14.365 1.00 0.00 H new ATOM 889 N ILE A 60 -5.203 -7.743 -11.189 1.00 0.00 N ATOM 890 CA ILE A 60 -4.800 -8.558 -10.050 1.00 0.00 C ATOM 891 C ILE A 60 -5.105 -10.032 -10.294 1.00 0.00 C ATOM 892 O ILE A 60 -4.271 -10.901 -10.036 1.00 0.00 O ATOM 893 CB ILE A 60 -5.503 -8.107 -8.757 1.00 0.00 C ATOM 894 CG1 ILE A 60 -4.794 -6.888 -8.163 1.00 0.00 C ATOM 895 CG2 ILE A 60 -5.543 -9.246 -7.750 1.00 0.00 C ATOM 896 CD1 ILE A 60 -3.502 -7.228 -7.453 1.00 0.00 C ATOM 0 H ILE A 60 -5.959 -7.087 -10.992 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.724 -8.426 -9.933 1.00 0.00 H new ATOM 0 HB ILE A 60 -6.528 -7.826 -8.998 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -4.584 -6.175 -8.960 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -5.466 -6.393 -7.461 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -6.043 -8.911 -6.841 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -6.089 -10.088 -8.175 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -4.526 -9.556 -7.511 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -3.054 -6.317 -7.057 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -3.707 -7.917 -6.634 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -2.813 -7.696 -8.156 1.00 0.00 H new ATOM 908 N SER A 61 -6.306 -10.308 -10.793 1.00 0.00 N ATOM 909 CA SER A 61 -6.723 -11.677 -11.070 1.00 0.00 C ATOM 910 C SER A 61 -5.647 -12.425 -11.851 1.00 0.00 C ATOM 911 O SER A 61 -5.543 -13.650 -11.770 1.00 0.00 O ATOM 912 CB SER A 61 -8.036 -11.684 -11.855 1.00 0.00 C ATOM 913 OG SER A 61 -8.302 -12.968 -12.393 1.00 0.00 O ATOM 0 H SER A 61 -7.007 -9.601 -11.014 1.00 0.00 H new ATOM 0 HA SER A 61 -6.875 -12.184 -10.117 1.00 0.00 H new ATOM 0 HB2 SER A 61 -8.855 -11.383 -11.202 1.00 0.00 H new ATOM 0 HB3 SER A 61 -7.985 -10.952 -12.661 1.00 0.00 H new ATOM 0 HG SER A 61 -9.147 -12.946 -12.889 1.00 0.00 H new ATOM 919 N PHE A 62 -4.847 -11.680 -12.606 1.00 0.00 N ATOM 920 CA PHE A 62 -3.779 -12.272 -13.403 1.00 0.00 C ATOM 921 C PHE A 62 -2.702 -12.875 -12.507 1.00 0.00 C ATOM 922 O PHE A 62 -2.237 -13.991 -12.741 1.00 0.00 O ATOM 923 CB PHE A 62 -3.160 -11.220 -14.326 1.00 0.00 C ATOM 924 CG PHE A 62 -2.460 -11.806 -15.519 1.00 0.00 C ATOM 925 CD1 PHE A 62 -1.476 -12.768 -15.358 1.00 0.00 C ATOM 926 CD2 PHE A 62 -2.787 -11.396 -16.801 1.00 0.00 C ATOM 927 CE1 PHE A 62 -0.830 -13.308 -16.454 1.00 0.00 C ATOM 928 CE2 PHE A 62 -2.145 -11.933 -17.901 1.00 0.00 C ATOM 929 CZ PHE A 62 -1.166 -12.891 -17.727 1.00 0.00 C ATOM 0 H PHE A 62 -4.918 -10.665 -12.683 1.00 0.00 H new ATOM 0 HA PHE A 62 -4.211 -13.069 -14.009 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -3.943 -10.544 -14.670 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -2.450 -10.621 -13.756 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -1.211 -13.100 -14.365 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -3.553 -10.648 -16.943 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -0.063 -14.056 -16.315 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -2.409 -11.604 -18.895 1.00 0.00 H new ATOM 0 HZ PHE A 62 -0.664 -13.313 -18.585 1.00 0.00 H new ATOM 939 N CYS A 63 -2.310 -12.129 -11.480 1.00 0.00 N ATOM 940 CA CYS A 63 -1.286 -12.589 -10.548 1.00 0.00 C ATOM 941 C CYS A 63 -1.849 -13.641 -9.598 1.00 0.00 C ATOM 942 O CYS A 63 -1.216 -14.665 -9.345 1.00 0.00 O ATOM 943 CB CYS A 63 -0.727 -11.410 -9.749 1.00 0.00 C ATOM 944 SG CYS A 63 0.509 -11.875 -8.515 1.00 0.00 S ATOM 0 H CYS A 63 -2.685 -11.204 -11.272 1.00 0.00 H new ATOM 0 HA CYS A 63 -0.480 -13.041 -11.126 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -0.283 -10.694 -10.441 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -1.551 -10.901 -9.249 1.00 0.00 H new ATOM 0 HG CYS A 63 1.256 -10.847 -8.240 1.00 0.00 H new ATOM 950 N ASN A 64 -3.041 -13.380 -9.073 1.00 0.00 N ATOM 951 CA ASN A 64 -3.689 -14.303 -8.148 1.00 0.00 C ATOM 952 C ASN A 64 -3.855 -15.681 -8.783 1.00 0.00 C ATOM 953 O ASN A 64 -3.960 -16.689 -8.085 1.00 0.00 O ATOM 954 CB ASN A 64 -5.053 -13.758 -7.722 1.00 0.00 C ATOM 955 CG ASN A 64 -5.050 -13.247 -6.294 1.00 0.00 C ATOM 956 OD1 ASN A 64 -5.506 -13.931 -5.377 1.00 0.00 O ATOM 957 ND2 ASN A 64 -4.536 -12.038 -6.099 1.00 0.00 N ATOM 0 H ASN A 64 -3.579 -12.536 -9.272 1.00 0.00 H new ATOM 0 HA ASN A 64 -3.054 -14.402 -7.267 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -5.345 -12.950 -8.394 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -5.803 -14.543 -7.823 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -4.508 -11.641 -5.160 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -4.169 -11.506 -6.888 1.00 0.00 H new ATOM 964 N ALA A 65 -3.877 -15.715 -10.111 1.00 0.00 N ATOM 965 CA ALA A 65 -4.028 -16.969 -10.840 1.00 0.00 C ATOM 966 C ALA A 65 -2.693 -17.696 -10.964 1.00 0.00 C ATOM 967 O ALA A 65 -2.652 -18.898 -11.219 1.00 0.00 O ATOM 968 CB ALA A 65 -4.620 -16.710 -12.218 1.00 0.00 C ATOM 0 H ALA A 65 -3.792 -14.889 -10.704 1.00 0.00 H new ATOM 0 HA ALA A 65 -4.709 -17.608 -10.278 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -4.727 -17.655 -12.751 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -5.598 -16.240 -12.111 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -3.959 -16.049 -12.779 1.00 0.00 H new ATOM 974 N ASN A 66 -1.603 -16.957 -10.782 1.00 0.00 N ATOM 975 CA ASN A 66 -0.266 -17.532 -10.875 1.00 0.00 C ATOM 976 C ASN A 66 -0.123 -18.376 -12.138 1.00 0.00 C ATOM 977 O ASN A 66 0.230 -19.554 -12.091 1.00 0.00 O ATOM 978 CB ASN A 66 0.030 -18.387 -9.641 1.00 0.00 C ATOM 979 CG ASN A 66 0.295 -17.547 -8.406 1.00 0.00 C ATOM 980 OD1 ASN A 66 1.440 -17.390 -7.982 1.00 0.00 O ATOM 981 ND2 ASN A 66 -0.767 -17.004 -7.822 1.00 0.00 N ATOM 0 H ASN A 66 -1.620 -15.960 -10.569 1.00 0.00 H new ATOM 0 HA ASN A 66 0.452 -16.713 -10.923 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -0.813 -19.051 -9.451 1.00 0.00 H new ATOM 0 HB3 ASN A 66 0.895 -19.020 -9.840 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -0.652 -16.430 -6.987 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -1.698 -17.161 -8.209 1.00 0.00 H new ATOM 988 N PRO A 67 -0.403 -17.759 -13.296 1.00 0.00 N ATOM 989 CA PRO A 67 -0.311 -18.434 -14.594 1.00 0.00 C ATOM 990 C PRO A 67 1.130 -18.736 -14.990 1.00 0.00 C ATOM 991 O PRO A 67 1.391 -19.651 -15.770 1.00 0.00 O ATOM 992 CB PRO A 67 -0.931 -17.424 -15.563 1.00 0.00 C ATOM 993 CG PRO A 67 -0.739 -16.101 -14.906 1.00 0.00 C ATOM 994 CD PRO A 67 -0.829 -16.356 -13.427 1.00 0.00 C ATOM 0 HA PRO A 67 -0.812 -19.402 -14.586 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -0.441 -17.457 -16.536 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -1.988 -17.633 -15.730 1.00 0.00 H new ATOM 0 HG2 PRO A 67 0.227 -15.671 -15.170 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -1.502 -15.392 -15.227 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -0.181 -15.685 -12.863 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -1.843 -16.207 -13.055 1.00 0.00 H new ATOM 1002 N GLY A 68 2.063 -17.960 -14.447 1.00 0.00 N ATOM 1003 CA GLY A 68 3.467 -18.162 -14.756 1.00 0.00 C ATOM 1004 C GLY A 68 4.021 -17.084 -15.666 1.00 0.00 C ATOM 1005 O GLY A 68 5.133 -17.207 -16.182 1.00 0.00 O ATOM 0 H GLY A 68 1.872 -17.196 -13.799 1.00 0.00 H new ATOM 0 HA2 GLY A 68 4.041 -18.181 -13.829 1.00 0.00 H new ATOM 0 HA3 GLY A 68 3.595 -19.135 -15.230 1.00 0.00 H new ATOM 1009 N LEU A 69 3.245 -16.025 -15.867 1.00 0.00 N ATOM 1010 CA LEU A 69 3.663 -14.921 -16.724 1.00 0.00 C ATOM 1011 C LEU A 69 4.149 -13.739 -15.891 1.00 0.00 C ATOM 1012 O LEU A 69 5.298 -13.316 -16.007 1.00 0.00 O ATOM 1013 CB LEU A 69 2.508 -14.483 -17.626 1.00 0.00 C ATOM 1014 CG LEU A 69 2.036 -15.509 -18.657 1.00 0.00 C ATOM 1015 CD1 LEU A 69 3.188 -15.933 -19.554 1.00 0.00 C ATOM 1016 CD2 LEU A 69 1.422 -16.717 -17.965 1.00 0.00 C ATOM 0 H LEU A 69 2.322 -15.907 -15.448 1.00 0.00 H new ATOM 0 HA LEU A 69 4.489 -15.269 -17.345 1.00 0.00 H new ATOM 0 HB2 LEU A 69 1.661 -14.216 -16.994 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.809 -13.578 -18.154 1.00 0.00 H new ATOM 0 HG LEU A 69 1.271 -15.045 -19.279 1.00 0.00 H new ATOM 0 HD11 LEU A 69 2.833 -16.663 -20.281 1.00 0.00 H new ATOM 0 HD12 LEU A 69 3.581 -15.062 -20.077 1.00 0.00 H new ATOM 0 HD13 LEU A 69 3.976 -16.379 -18.947 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.092 -17.437 -18.714 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.165 -17.182 -17.318 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.568 -16.399 -17.367 1.00 0.00 H new ATOM 1028 N MET A 70 3.265 -13.212 -15.049 1.00 0.00 N ATOM 1029 CA MET A 70 3.606 -12.081 -14.194 1.00 0.00 C ATOM 1030 C MET A 70 4.752 -12.437 -13.253 1.00 0.00 C ATOM 1031 O MET A 70 5.499 -11.564 -12.809 1.00 0.00 O ATOM 1032 CB MET A 70 2.384 -11.641 -13.384 1.00 0.00 C ATOM 1033 CG MET A 70 1.155 -11.373 -14.236 1.00 0.00 C ATOM 1034 SD MET A 70 0.759 -9.618 -14.352 1.00 0.00 S ATOM 1035 CE MET A 70 2.011 -9.064 -15.507 1.00 0.00 C ATOM 0 H MET A 70 2.309 -13.550 -14.941 1.00 0.00 H new ATOM 0 HA MET A 70 3.926 -11.258 -14.833 1.00 0.00 H new ATOM 0 HB2 MET A 70 2.147 -12.412 -12.651 1.00 0.00 H new ATOM 0 HB3 MET A 70 2.634 -10.738 -12.827 1.00 0.00 H new ATOM 0 HG2 MET A 70 1.318 -11.772 -15.237 1.00 0.00 H new ATOM 0 HG3 MET A 70 0.303 -11.907 -13.815 1.00 0.00 H new ATOM 0 HE1 MET A 70 1.719 -8.101 -15.926 1.00 0.00 H new ATOM 0 HE2 MET A 70 2.964 -8.960 -14.988 1.00 0.00 H new ATOM 0 HE3 MET A 70 2.113 -9.794 -16.310 1.00 0.00 H new ATOM 1045 N LYS A 71 4.888 -13.724 -12.952 1.00 0.00 N ATOM 1046 CA LYS A 71 5.944 -14.196 -12.065 1.00 0.00 C ATOM 1047 C LYS A 71 7.298 -13.630 -12.482 1.00 0.00 C ATOM 1048 O LYS A 71 8.088 -13.201 -11.640 1.00 0.00 O ATOM 1049 CB LYS A 71 5.995 -15.725 -12.068 1.00 0.00 C ATOM 1050 CG LYS A 71 4.731 -16.378 -11.536 1.00 0.00 C ATOM 1051 CD LYS A 71 5.050 -17.560 -10.637 1.00 0.00 C ATOM 1052 CE LYS A 71 5.017 -18.871 -11.407 1.00 0.00 C ATOM 1053 NZ LYS A 71 5.113 -20.050 -10.502 1.00 0.00 N ATOM 0 H LYS A 71 4.279 -14.460 -13.310 1.00 0.00 H new ATOM 0 HA LYS A 71 5.720 -13.848 -11.057 1.00 0.00 H new ATOM 0 HB2 LYS A 71 6.172 -16.072 -13.086 1.00 0.00 H new ATOM 0 HB3 LYS A 71 6.843 -16.053 -11.467 1.00 0.00 H new ATOM 0 HG2 LYS A 71 4.148 -15.644 -10.980 1.00 0.00 H new ATOM 0 HG3 LYS A 71 4.113 -16.711 -12.370 1.00 0.00 H new ATOM 0 HD2 LYS A 71 6.035 -17.424 -10.191 1.00 0.00 H new ATOM 0 HD3 LYS A 71 4.332 -17.600 -9.818 1.00 0.00 H new ATOM 0 HE2 LYS A 71 4.094 -18.930 -11.983 1.00 0.00 H new ATOM 0 HE3 LYS A 71 5.840 -18.893 -12.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 5.087 -20.923 -11.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 6.006 -20.008 -9.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 4.313 -20.043 -9.837 1.00 0.00 H new ATOM 1067 N ASP A 72 7.559 -13.632 -13.784 1.00 0.00 N ATOM 1068 CA ASP A 72 8.816 -13.116 -14.313 1.00 0.00 C ATOM 1069 C ASP A 72 8.740 -11.607 -14.522 1.00 0.00 C ATOM 1070 O ASP A 72 9.758 -10.916 -14.515 1.00 0.00 O ATOM 1071 CB ASP A 72 9.162 -13.810 -15.631 1.00 0.00 C ATOM 1072 CG ASP A 72 10.657 -13.969 -15.827 1.00 0.00 C ATOM 1073 OD1 ASP A 72 11.336 -12.950 -16.072 1.00 0.00 O ATOM 1074 OD2 ASP A 72 11.148 -15.113 -15.734 1.00 0.00 O ATOM 0 H ASP A 72 6.917 -13.985 -14.493 1.00 0.00 H new ATOM 0 HA ASP A 72 9.600 -13.324 -13.585 1.00 0.00 H new ATOM 0 HB2 ASP A 72 8.689 -14.792 -15.656 1.00 0.00 H new ATOM 0 HB3 ASP A 72 8.749 -13.235 -16.460 1.00 0.00 H new ATOM 1079 N VAL A 73 7.525 -11.102 -14.710 1.00 0.00 N ATOM 1080 CA VAL A 73 7.315 -9.674 -14.922 1.00 0.00 C ATOM 1081 C VAL A 73 7.483 -8.895 -13.622 1.00 0.00 C ATOM 1082 O VAL A 73 8.392 -8.077 -13.490 1.00 0.00 O ATOM 1083 CB VAL A 73 5.915 -9.392 -15.499 1.00 0.00 C ATOM 1084 CG1 VAL A 73 5.756 -7.914 -15.818 1.00 0.00 C ATOM 1085 CG2 VAL A 73 5.668 -10.243 -16.736 1.00 0.00 C ATOM 0 H VAL A 73 6.671 -11.660 -14.720 1.00 0.00 H new ATOM 0 HA VAL A 73 8.068 -9.346 -15.639 1.00 0.00 H new ATOM 0 HB VAL A 73 5.171 -9.658 -14.748 1.00 0.00 H new ATOM 0 HG11 VAL A 73 4.761 -7.735 -16.225 1.00 0.00 H new ATOM 0 HG12 VAL A 73 5.887 -7.329 -14.908 1.00 0.00 H new ATOM 0 HG13 VAL A 73 6.506 -7.617 -16.551 1.00 0.00 H new ATOM 0 HG21 VAL A 73 4.674 -10.031 -17.131 1.00 0.00 H new ATOM 0 HG22 VAL A 73 6.417 -10.010 -17.493 1.00 0.00 H new ATOM 0 HG23 VAL A 73 5.736 -11.298 -16.471 1.00 0.00 H new ATOM 1095 N ALA A 74 6.600 -9.156 -12.664 1.00 0.00 N ATOM 1096 CA ALA A 74 6.652 -8.482 -11.373 1.00 0.00 C ATOM 1097 C ALA A 74 8.039 -8.594 -10.750 1.00 0.00 C ATOM 1098 O ALA A 74 8.446 -7.744 -9.958 1.00 0.00 O ATOM 1099 CB ALA A 74 5.602 -9.057 -10.434 1.00 0.00 C ATOM 0 H ALA A 74 5.840 -9.830 -12.758 1.00 0.00 H new ATOM 0 HA ALA A 74 6.439 -7.425 -11.535 1.00 0.00 H new ATOM 0 HB1 ALA A 74 5.653 -8.544 -9.474 1.00 0.00 H new ATOM 0 HB2 ALA A 74 4.611 -8.919 -10.867 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.789 -10.121 -10.287 1.00 0.00 H new ATOM 1105 N LYS A 75 8.762 -9.648 -11.113 1.00 0.00 N ATOM 1106 CA LYS A 75 10.105 -9.872 -10.591 1.00 0.00 C ATOM 1107 C LYS A 75 11.025 -8.707 -10.940 1.00 0.00 C ATOM 1108 O LYS A 75 11.936 -8.373 -10.181 1.00 0.00 O ATOM 1109 CB LYS A 75 10.681 -11.175 -11.150 1.00 0.00 C ATOM 1110 CG LYS A 75 11.851 -10.967 -12.095 1.00 0.00 C ATOM 1111 CD LYS A 75 12.241 -12.260 -12.793 1.00 0.00 C ATOM 1112 CE LYS A 75 12.587 -13.351 -11.791 1.00 0.00 C ATOM 1113 NZ LYS A 75 13.752 -14.164 -12.237 1.00 0.00 N ATOM 0 H LYS A 75 8.440 -10.361 -11.767 1.00 0.00 H new ATOM 0 HA LYS A 75 10.038 -9.947 -9.506 1.00 0.00 H new ATOM 0 HB2 LYS A 75 11.002 -11.805 -10.321 1.00 0.00 H new ATOM 0 HB3 LYS A 75 9.893 -11.715 -11.675 1.00 0.00 H new ATOM 0 HG2 LYS A 75 11.589 -10.215 -12.840 1.00 0.00 H new ATOM 0 HG3 LYS A 75 12.705 -10.581 -11.539 1.00 0.00 H new ATOM 0 HD2 LYS A 75 11.420 -12.594 -13.428 1.00 0.00 H new ATOM 0 HD3 LYS A 75 13.095 -12.079 -13.445 1.00 0.00 H new ATOM 0 HE2 LYS A 75 12.808 -12.899 -10.824 1.00 0.00 H new ATOM 0 HE3 LYS A 75 11.724 -14.001 -11.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 13.956 -14.896 -11.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 13.532 -14.616 -13.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 14.583 -13.548 -12.348 1.00 0.00 H new ATOM 1127 N VAL A 76 10.781 -8.090 -12.091 1.00 0.00 N ATOM 1128 CA VAL A 76 11.587 -6.960 -12.539 1.00 0.00 C ATOM 1129 C VAL A 76 10.827 -5.647 -12.382 1.00 0.00 C ATOM 1130 O VAL A 76 11.113 -4.666 -13.069 1.00 0.00 O ATOM 1131 CB VAL A 76 12.012 -7.121 -14.011 1.00 0.00 C ATOM 1132 CG1 VAL A 76 13.041 -8.233 -14.150 1.00 0.00 C ATOM 1133 CG2 VAL A 76 10.799 -7.392 -14.888 1.00 0.00 C ATOM 0 H VAL A 76 10.032 -8.353 -12.731 1.00 0.00 H new ATOM 0 HA VAL A 76 12.478 -6.939 -11.912 1.00 0.00 H new ATOM 0 HB VAL A 76 12.471 -6.190 -14.344 1.00 0.00 H new ATOM 0 HG11 VAL A 76 13.330 -8.333 -15.196 1.00 0.00 H new ATOM 0 HG12 VAL A 76 13.920 -7.992 -13.552 1.00 0.00 H new ATOM 0 HG13 VAL A 76 12.611 -9.172 -13.801 1.00 0.00 H new ATOM 0 HG21 VAL A 76 11.117 -7.503 -15.925 1.00 0.00 H new ATOM 0 HG22 VAL A 76 10.309 -8.308 -14.558 1.00 0.00 H new ATOM 0 HG23 VAL A 76 10.100 -6.559 -14.810 1.00 0.00 H new ATOM 1143 N PHE A 77 9.859 -5.635 -11.472 1.00 0.00 N ATOM 1144 CA PHE A 77 9.057 -4.443 -11.224 1.00 0.00 C ATOM 1145 C PHE A 77 8.849 -4.229 -9.728 1.00 0.00 C ATOM 1146 O PHE A 77 8.552 -3.120 -9.285 1.00 0.00 O ATOM 1147 CB PHE A 77 7.703 -4.558 -11.928 1.00 0.00 C ATOM 1148 CG PHE A 77 7.665 -3.881 -13.268 1.00 0.00 C ATOM 1149 CD1 PHE A 77 8.050 -4.561 -14.413 1.00 0.00 C ATOM 1150 CD2 PHE A 77 7.245 -2.566 -13.384 1.00 0.00 C ATOM 1151 CE1 PHE A 77 8.016 -3.941 -15.648 1.00 0.00 C ATOM 1152 CE2 PHE A 77 7.208 -1.942 -14.616 1.00 0.00 C ATOM 1153 CZ PHE A 77 7.596 -2.630 -15.750 1.00 0.00 C ATOM 0 H PHE A 77 9.611 -6.438 -10.894 1.00 0.00 H new ATOM 0 HA PHE A 77 9.595 -3.584 -11.624 1.00 0.00 H new ATOM 0 HB2 PHE A 77 7.457 -5.612 -12.055 1.00 0.00 H new ATOM 0 HB3 PHE A 77 6.933 -4.126 -11.289 1.00 0.00 H new ATOM 0 HD1 PHE A 77 8.380 -5.587 -14.339 1.00 0.00 H new ATOM 0 HD2 PHE A 77 6.943 -2.022 -12.501 1.00 0.00 H new ATOM 0 HE1 PHE A 77 8.318 -4.482 -16.533 1.00 0.00 H new ATOM 0 HE2 PHE A 77 6.876 -0.917 -14.693 1.00 0.00 H new ATOM 0 HZ PHE A 77 7.571 -2.143 -16.714 1.00 0.00 H new TER 1163 PHE A 77 HETATM 1164 MG MG A 101 -11.459 -5.434 -18.727 1.00 0.00 MG