USER MOD reduce.3.24.130724 H: found=0, std=0, add=615, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 614 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 37 ASN : amide:sc= 0.95 K(o=0.86,f=-0.0054) USER MOD Set 1.2: A 59 ASN : amide:sc= -0.0929 X(o=0.86,f=1) USER MOD Set 2.1: A 16 SER OG : rot 107:sc= 0.159 USER MOD Set 2.2: A 23 HIS : no HD1:sc= 0.167 K(o=0.33,f=-0.56) USER MOD Single : A 1 SER N :NH3+ -112:sc= 0.0534 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= 0.0228 X(o=0.023,f=-0.019) USER MOD Single : A 29 GLN : amide:sc= 0.812 K(o=0.81,f=-0.0099) USER MOD Single : A 33 TYR OH : rot -164:sc= 0.489 USER MOD Single : A 35 THR OG1 : rot -65:sc= 0.253 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 CYS SG : rot 180:sc= -1.47 USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ -156:sc= 1.08 (180deg=0.621) USER MOD Single : A 75 LYS NZ :NH3+ -174:sc= 1.25 (180deg=1.18) USER MOD Single : A 77 LYS NZ :NH3+ 179:sc= 1.09 (180deg=1.09) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -16.085 10.175 -15.613 1.00 0.00 N ATOM 2 CA SER A 1 -15.026 9.463 -14.854 1.00 0.00 C ATOM 3 C SER A 1 -14.527 8.236 -15.620 1.00 0.00 C ATOM 4 O SER A 1 -15.250 7.685 -16.453 1.00 0.00 O ATOM 5 CB SER A 1 -15.513 9.064 -13.453 1.00 0.00 C ATOM 6 OG SER A 1 -14.434 8.561 -12.678 1.00 0.00 O ATOM 0 H1 SER A 1 -15.726 11.100 -15.926 1.00 0.00 H new ATOM 0 H2 SER A 1 -16.357 9.610 -16.443 1.00 0.00 H new ATOM 0 H3 SER A 1 -16.915 10.315 -15.003 1.00 0.00 H new ATOM 0 HA SER A 1 -14.191 10.153 -14.736 1.00 0.00 H new ATOM 0 HB2 SER A 1 -15.955 9.927 -12.955 1.00 0.00 H new ATOM 0 HB3 SER A 1 -16.294 8.308 -13.534 1.00 0.00 H new ATOM 0 HG SER A 1 -14.759 8.312 -11.787 1.00 0.00 H new ATOM 14 N MET A 2 -13.292 7.796 -15.347 1.00 0.00 N ATOM 15 CA MET A 2 -12.673 6.587 -15.918 1.00 0.00 C ATOM 16 C MET A 2 -11.830 5.847 -14.859 1.00 0.00 C ATOM 17 O MET A 2 -10.635 5.609 -15.038 1.00 0.00 O ATOM 18 CB MET A 2 -11.875 6.946 -17.188 1.00 0.00 C ATOM 19 CG MET A 2 -11.600 5.702 -18.045 1.00 0.00 C ATOM 20 SD MET A 2 -10.455 5.973 -19.422 1.00 0.00 S ATOM 21 CE MET A 2 -10.680 4.402 -20.298 1.00 0.00 C ATOM 0 H MET A 2 -12.673 8.286 -14.701 1.00 0.00 H new ATOM 0 HA MET A 2 -13.454 5.891 -16.222 1.00 0.00 H new ATOM 0 HB2 MET A 2 -12.430 7.678 -17.774 1.00 0.00 H new ATOM 0 HB3 MET A 2 -10.931 7.412 -16.907 1.00 0.00 H new ATOM 0 HG2 MET A 2 -11.198 4.917 -17.404 1.00 0.00 H new ATOM 0 HG3 MET A 2 -12.546 5.335 -18.443 1.00 0.00 H new ATOM 0 HE1 MET A 2 -10.047 4.386 -21.185 1.00 0.00 H new ATOM 0 HE2 MET A 2 -10.405 3.577 -19.641 1.00 0.00 H new ATOM 0 HE3 MET A 2 -11.723 4.297 -20.595 1.00 0.00 H new ATOM 31 N ALA A 3 -12.441 5.498 -13.721 1.00 0.00 N ATOM 32 CA ALA A 3 -11.772 4.787 -12.620 1.00 0.00 C ATOM 33 C ALA A 3 -11.249 3.385 -13.018 1.00 0.00 C ATOM 34 O ALA A 3 -10.296 2.879 -12.419 1.00 0.00 O ATOM 35 CB ALA A 3 -12.755 4.705 -11.445 1.00 0.00 C ATOM 0 H ALA A 3 -13.423 5.702 -13.535 1.00 0.00 H new ATOM 0 HA ALA A 3 -10.880 5.347 -12.338 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -12.284 4.182 -10.613 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -13.031 5.712 -11.131 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -13.649 4.164 -11.755 1.00 0.00 H new ATOM 41 N ASP A 4 -11.819 2.785 -14.067 1.00 0.00 N ATOM 42 CA ASP A 4 -11.357 1.550 -14.712 1.00 0.00 C ATOM 43 C ASP A 4 -10.050 1.715 -15.524 1.00 0.00 C ATOM 44 O ASP A 4 -9.381 0.717 -15.803 1.00 0.00 O ATOM 45 CB ASP A 4 -12.494 0.998 -15.588 1.00 0.00 C ATOM 46 CG ASP A 4 -12.868 1.932 -16.756 1.00 0.00 C ATOM 47 OD1 ASP A 4 -13.301 3.080 -16.492 1.00 0.00 O ATOM 48 OD2 ASP A 4 -12.755 1.509 -17.930 1.00 0.00 O ATOM 0 H ASP A 4 -12.655 3.164 -14.512 1.00 0.00 H new ATOM 0 HA ASP A 4 -11.105 0.841 -13.924 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -12.198 0.028 -15.987 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -13.375 0.832 -14.967 1.00 0.00 H new ATOM 53 N ARG A 5 -9.661 2.969 -15.823 1.00 0.00 N ATOM 54 CA ARG A 5 -8.388 3.417 -16.427 1.00 0.00 C ATOM 55 C ARG A 5 -8.075 2.878 -17.835 1.00 0.00 C ATOM 56 O ARG A 5 -8.751 2.000 -18.375 1.00 0.00 O ATOM 57 CB ARG A 5 -7.246 3.196 -15.410 1.00 0.00 C ATOM 58 CG ARG A 5 -7.340 4.170 -14.223 1.00 0.00 C ATOM 59 CD ARG A 5 -6.379 3.753 -13.103 1.00 0.00 C ATOM 60 NE ARG A 5 -6.314 4.759 -12.025 1.00 0.00 N ATOM 61 CZ ARG A 5 -7.135 4.905 -10.999 1.00 0.00 C ATOM 62 NH1 ARG A 5 -8.222 4.199 -10.849 1.00 0.00 N ATOM 63 NH2 ARG A 5 -6.874 5.787 -10.078 1.00 0.00 N ATOM 0 H ARG A 5 -10.277 3.760 -15.634 1.00 0.00 H new ATOM 0 HA ARG A 5 -8.497 4.482 -16.631 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -7.281 2.171 -15.042 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -6.285 3.323 -15.909 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -7.102 5.180 -14.556 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -8.362 4.191 -13.843 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -6.699 2.797 -12.688 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -5.383 3.602 -13.518 1.00 0.00 H new ATOM 0 HE ARG A 5 -5.541 5.423 -12.078 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -8.472 3.494 -11.543 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -8.821 4.352 -10.038 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -6.037 6.365 -10.148 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -7.507 5.900 -9.286 1.00 0.00 H new ATOM 77 N VAL A 6 -7.046 3.458 -18.455 1.00 0.00 N ATOM 78 CA VAL A 6 -6.484 3.062 -19.754 1.00 0.00 C ATOM 79 C VAL A 6 -5.428 1.978 -19.511 1.00 0.00 C ATOM 80 O VAL A 6 -4.809 1.931 -18.446 1.00 0.00 O ATOM 81 CB VAL A 6 -5.889 4.288 -20.489 1.00 0.00 C ATOM 82 CG1 VAL A 6 -5.418 3.967 -21.913 1.00 0.00 C ATOM 83 CG2 VAL A 6 -6.901 5.437 -20.613 1.00 0.00 C ATOM 0 H VAL A 6 -6.556 4.255 -18.048 1.00 0.00 H new ATOM 0 HA VAL A 6 -7.267 2.661 -20.397 1.00 0.00 H new ATOM 0 HB VAL A 6 -5.039 4.580 -19.872 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -5.012 4.868 -22.374 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -4.646 3.198 -21.876 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -6.261 3.607 -22.503 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -6.438 6.274 -21.135 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -7.772 5.096 -21.173 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -7.212 5.757 -19.618 1.00 0.00 H new ATOM 93 N LEU A 7 -5.198 1.117 -20.501 1.00 0.00 N ATOM 94 CA LEU A 7 -4.132 0.105 -20.512 1.00 0.00 C ATOM 95 C LEU A 7 -2.881 0.642 -21.250 1.00 0.00 C ATOM 96 O LEU A 7 -2.825 0.596 -22.480 1.00 0.00 O ATOM 97 CB LEU A 7 -4.674 -1.197 -21.142 1.00 0.00 C ATOM 98 CG LEU A 7 -5.857 -1.846 -20.396 1.00 0.00 C ATOM 99 CD1 LEU A 7 -6.290 -3.116 -21.132 1.00 0.00 C ATOM 100 CD2 LEU A 7 -5.514 -2.229 -18.954 1.00 0.00 C ATOM 0 H LEU A 7 -5.766 1.101 -21.348 1.00 0.00 H new ATOM 0 HA LEU A 7 -3.820 -0.119 -19.492 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -4.983 -0.985 -22.165 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -3.860 -1.920 -21.198 1.00 0.00 H new ATOM 0 HG LEU A 7 -6.655 -1.104 -20.370 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -7.126 -3.575 -20.605 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -6.596 -2.862 -22.147 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -5.456 -3.817 -21.170 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -6.386 -2.681 -18.480 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -4.690 -2.942 -18.953 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -5.222 -1.337 -18.400 1.00 0.00 H new ATOM 112 N ARG A 8 -1.857 1.187 -20.575 1.00 0.00 N ATOM 113 CA ARG A 8 -1.700 1.436 -19.125 1.00 0.00 C ATOM 114 C ARG A 8 -1.463 2.931 -18.861 1.00 0.00 C ATOM 115 O ARG A 8 -0.419 3.468 -19.234 1.00 0.00 O ATOM 116 CB ARG A 8 -0.565 0.542 -18.592 1.00 0.00 C ATOM 117 CG ARG A 8 -0.415 0.635 -17.062 1.00 0.00 C ATOM 118 CD ARG A 8 0.621 -0.358 -16.518 1.00 0.00 C ATOM 119 NE ARG A 8 1.992 -0.044 -16.973 1.00 0.00 N ATOM 120 CZ ARG A 8 3.074 -0.777 -16.775 1.00 0.00 C ATOM 121 NH1 ARG A 8 3.042 -1.904 -16.120 1.00 0.00 N ATOM 122 NH2 ARG A 8 4.228 -0.386 -17.239 1.00 0.00 N ATOM 0 H ARG A 8 -1.028 1.499 -21.081 1.00 0.00 H new ATOM 0 HA ARG A 8 -2.612 1.176 -18.588 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -0.759 -0.493 -18.873 1.00 0.00 H new ATOM 0 HB3 ARG A 8 0.374 0.830 -19.065 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -0.122 1.649 -16.789 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -1.380 0.444 -16.592 1.00 0.00 H new ATOM 0 HD2 ARG A 8 0.591 -0.350 -15.428 1.00 0.00 H new ATOM 0 HD3 ARG A 8 0.357 -1.366 -16.837 1.00 0.00 H new ATOM 0 HE ARG A 8 2.115 0.826 -17.492 1.00 0.00 H new ATOM 0 HH11 ARG A 8 2.160 -2.248 -15.740 1.00 0.00 H new ATOM 0 HH12 ARG A 8 3.899 -2.442 -15.988 1.00 0.00 H new ATOM 0 HH21 ARG A 8 4.299 0.489 -17.758 1.00 0.00 H new ATOM 0 HH22 ARG A 8 5.060 -0.956 -17.083 1.00 0.00 H new ATOM 136 N GLY A 9 -2.431 3.599 -18.230 1.00 0.00 N ATOM 137 CA GLY A 9 -2.401 5.038 -17.931 1.00 0.00 C ATOM 138 C GLY A 9 -3.791 5.637 -17.670 1.00 0.00 C ATOM 139 O GLY A 9 -4.721 4.937 -17.265 1.00 0.00 O ATOM 0 H GLY A 9 -3.283 3.144 -17.902 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -1.771 5.207 -17.058 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -1.937 5.565 -18.765 1.00 0.00 H new ATOM 143 N SER A 10 -3.946 6.937 -17.929 1.00 0.00 N ATOM 144 CA SER A 10 -5.213 7.678 -17.807 1.00 0.00 C ATOM 145 C SER A 10 -5.377 8.742 -18.906 1.00 0.00 C ATOM 146 O SER A 10 -4.435 9.050 -19.645 1.00 0.00 O ATOM 147 CB SER A 10 -5.317 8.308 -16.409 1.00 0.00 C ATOM 148 OG SER A 10 -4.400 9.381 -16.264 1.00 0.00 O ATOM 0 H SER A 10 -3.173 7.525 -18.239 1.00 0.00 H new ATOM 0 HA SER A 10 -6.028 6.967 -17.941 1.00 0.00 H new ATOM 0 HB2 SER A 10 -6.332 8.668 -16.243 1.00 0.00 H new ATOM 0 HB3 SER A 10 -5.119 7.551 -15.650 1.00 0.00 H new ATOM 0 HG SER A 10 -4.487 9.766 -15.367 1.00 0.00 H new ATOM 154 N ARG A 11 -6.585 9.314 -19.018 1.00 0.00 N ATOM 155 CA ARG A 11 -6.940 10.373 -19.990 1.00 0.00 C ATOM 156 C ARG A 11 -6.698 11.804 -19.473 1.00 0.00 C ATOM 157 O ARG A 11 -6.988 12.769 -20.181 1.00 0.00 O ATOM 158 CB ARG A 11 -8.400 10.179 -20.445 1.00 0.00 C ATOM 159 CG ARG A 11 -8.622 8.847 -21.178 1.00 0.00 C ATOM 160 CD ARG A 11 -10.073 8.732 -21.654 1.00 0.00 C ATOM 161 NE ARG A 11 -10.283 7.526 -22.482 1.00 0.00 N ATOM 162 CZ ARG A 11 -11.374 7.213 -23.160 1.00 0.00 C ATOM 163 NH1 ARG A 11 -12.376 8.031 -23.295 1.00 0.00 N ATOM 164 NH2 ARG A 11 -11.451 6.054 -23.742 1.00 0.00 N ATOM 0 H ARG A 11 -7.368 9.049 -18.420 1.00 0.00 H new ATOM 0 HA ARG A 11 -6.268 10.266 -20.841 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -9.056 10.224 -19.576 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -8.684 11.002 -21.101 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -7.947 8.778 -22.031 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -8.384 8.016 -20.514 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -10.738 8.701 -20.791 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -10.339 9.619 -22.229 1.00 0.00 H new ATOM 0 HE ARG A 11 -9.506 6.867 -22.536 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -12.340 8.957 -22.869 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -13.198 7.747 -23.827 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -10.675 5.396 -23.673 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -12.288 5.802 -24.268 1.00 0.00 H new ATOM 178 N LEU A 12 -6.198 11.962 -18.244 1.00 0.00 N ATOM 179 CA LEU A 12 -6.073 13.261 -17.570 1.00 0.00 C ATOM 180 C LEU A 12 -5.087 14.198 -18.294 1.00 0.00 C ATOM 181 O LEU A 12 -3.964 13.806 -18.625 1.00 0.00 O ATOM 182 CB LEU A 12 -5.670 13.058 -16.095 1.00 0.00 C ATOM 183 CG LEU A 12 -6.658 12.237 -15.243 1.00 0.00 C ATOM 184 CD1 LEU A 12 -6.123 12.109 -13.817 1.00 0.00 C ATOM 185 CD2 LEU A 12 -8.049 12.872 -15.171 1.00 0.00 C ATOM 0 H LEU A 12 -5.863 11.181 -17.680 1.00 0.00 H new ATOM 0 HA LEU A 12 -7.048 13.748 -17.603 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -4.698 12.566 -16.067 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -5.546 14.037 -15.633 1.00 0.00 H new ATOM 0 HG LEU A 12 -6.751 11.264 -15.725 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -6.823 11.528 -13.216 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -5.156 11.606 -13.835 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -6.008 13.101 -13.381 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -8.702 12.250 -14.558 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -7.973 13.865 -14.728 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -8.464 12.954 -16.176 1.00 0.00 H new ATOM 197 N GLY A 13 -5.510 15.445 -18.534 1.00 0.00 N ATOM 198 CA GLY A 13 -4.713 16.481 -19.206 1.00 0.00 C ATOM 199 C GLY A 13 -4.444 16.246 -20.704 1.00 0.00 C ATOM 200 O GLY A 13 -3.571 16.908 -21.271 1.00 0.00 O ATOM 0 H GLY A 13 -6.437 15.770 -18.260 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -5.223 17.437 -19.092 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -3.755 16.568 -18.692 1.00 0.00 H new ATOM 204 N ALA A 14 -5.149 15.305 -21.343 1.00 0.00 N ATOM 205 CA ALA A 14 -4.912 14.859 -22.720 1.00 0.00 C ATOM 206 C ALA A 14 -6.214 14.502 -23.473 1.00 0.00 C ATOM 207 O ALA A 14 -7.315 14.534 -22.913 1.00 0.00 O ATOM 208 CB ALA A 14 -3.956 13.655 -22.651 1.00 0.00 C ATOM 0 H ALA A 14 -5.927 14.817 -20.900 1.00 0.00 H new ATOM 0 HA ALA A 14 -4.471 15.676 -23.292 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -3.754 13.292 -23.659 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -3.021 13.959 -22.181 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -4.415 12.859 -22.064 1.00 0.00 H new ATOM 214 N VAL A 15 -6.082 14.140 -24.755 1.00 0.00 N ATOM 215 CA VAL A 15 -7.143 13.480 -25.541 1.00 0.00 C ATOM 216 C VAL A 15 -7.404 12.054 -25.061 1.00 0.00 C ATOM 217 O VAL A 15 -6.601 11.449 -24.346 1.00 0.00 O ATOM 218 CB VAL A 15 -6.857 13.516 -27.058 1.00 0.00 C ATOM 219 CG1 VAL A 15 -6.786 14.958 -27.574 1.00 0.00 C ATOM 220 CG2 VAL A 15 -5.569 12.782 -27.452 1.00 0.00 C ATOM 0 H VAL A 15 -5.226 14.297 -25.287 1.00 0.00 H new ATOM 0 HA VAL A 15 -8.053 14.055 -25.373 1.00 0.00 H new ATOM 0 HB VAL A 15 -7.693 12.993 -27.522 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -6.583 14.952 -28.645 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -7.736 15.458 -27.387 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -5.988 15.491 -27.057 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -5.429 12.846 -28.531 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -4.719 13.242 -26.948 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -5.642 11.735 -27.158 1.00 0.00 H new ATOM 230 N SER A 16 -8.564 11.524 -25.437 1.00 0.00 N ATOM 231 CA SER A 16 -9.023 10.206 -25.006 1.00 0.00 C ATOM 232 C SER A 16 -8.195 9.046 -25.592 1.00 0.00 C ATOM 233 O SER A 16 -7.783 9.073 -26.754 1.00 0.00 O ATOM 234 CB SER A 16 -10.509 10.074 -25.328 1.00 0.00 C ATOM 235 OG SER A 16 -11.281 10.659 -24.290 1.00 0.00 O ATOM 0 H SER A 16 -9.219 12.002 -26.056 1.00 0.00 H new ATOM 0 HA SER A 16 -8.875 10.129 -23.929 1.00 0.00 H new ATOM 0 HB2 SER A 16 -10.729 10.563 -26.277 1.00 0.00 H new ATOM 0 HB3 SER A 16 -10.774 9.023 -25.442 1.00 0.00 H new ATOM 0 HG SER A 16 -11.668 11.502 -24.606 1.00 0.00 H new ATOM 241 N TYR A 17 -7.969 8.019 -24.766 1.00 0.00 N ATOM 242 CA TYR A 17 -7.086 6.870 -25.020 1.00 0.00 C ATOM 243 C TYR A 17 -7.738 5.534 -24.654 1.00 0.00 C ATOM 244 O TYR A 17 -8.661 5.489 -23.840 1.00 0.00 O ATOM 245 CB TYR A 17 -5.753 7.079 -24.277 1.00 0.00 C ATOM 246 CG TYR A 17 -4.893 8.241 -24.748 1.00 0.00 C ATOM 247 CD1 TYR A 17 -4.611 8.407 -26.120 1.00 0.00 C ATOM 248 CD2 TYR A 17 -4.318 9.119 -23.808 1.00 0.00 C ATOM 249 CE1 TYR A 17 -3.780 9.455 -26.554 1.00 0.00 C ATOM 250 CE2 TYR A 17 -3.479 10.167 -24.237 1.00 0.00 C ATOM 251 CZ TYR A 17 -3.212 10.342 -25.614 1.00 0.00 C ATOM 252 OH TYR A 17 -2.399 11.349 -26.040 1.00 0.00 O ATOM 0 H TYR A 17 -8.420 7.962 -23.853 1.00 0.00 H new ATOM 0 HA TYR A 17 -6.893 6.817 -26.092 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -5.970 7.222 -23.218 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -5.167 6.164 -24.362 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -5.036 7.725 -26.842 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -4.521 8.988 -22.755 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -3.576 9.581 -27.607 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -3.040 10.837 -23.513 1.00 0.00 H new ATOM 0 HH TYR A 17 -2.092 11.870 -25.269 1.00 0.00 H new ATOM 262 N GLU A 18 -7.334 4.406 -25.241 1.00 0.00 N ATOM 263 CA GLU A 18 -6.111 4.104 -26.024 1.00 0.00 C ATOM 264 C GLU A 18 -5.981 4.844 -27.359 1.00 0.00 C ATOM 265 O GLU A 18 -4.893 5.264 -27.751 1.00 0.00 O ATOM 266 CB GLU A 18 -6.026 2.589 -26.281 1.00 0.00 C ATOM 267 CG GLU A 18 -5.790 1.764 -25.007 1.00 0.00 C ATOM 268 CD GLU A 18 -5.722 0.259 -25.334 1.00 0.00 C ATOM 269 OE1 GLU A 18 -4.711 -0.199 -25.923 1.00 0.00 O ATOM 270 OE2 GLU A 18 -6.685 -0.478 -25.012 1.00 0.00 O ATOM 0 H GLU A 18 -7.921 3.574 -25.177 1.00 0.00 H new ATOM 0 HA GLU A 18 -5.286 4.463 -25.409 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -6.950 2.256 -26.754 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -5.218 2.393 -26.986 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -4.862 2.080 -24.531 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -6.593 1.950 -24.294 1.00 0.00 H new ATOM 277 N THR A 19 -7.124 5.067 -27.993 1.00 0.00 N ATOM 278 CA THR A 19 -7.343 5.958 -29.151 1.00 0.00 C ATOM 279 C THR A 19 -8.754 6.560 -29.128 1.00 0.00 C ATOM 280 O THR A 19 -9.651 6.052 -28.449 1.00 0.00 O ATOM 281 CB THR A 19 -7.125 5.249 -30.504 1.00 0.00 C ATOM 282 OG1 THR A 19 -7.856 4.042 -30.590 1.00 0.00 O ATOM 283 CG2 THR A 19 -5.656 4.937 -30.792 1.00 0.00 C ATOM 0 H THR A 19 -7.986 4.606 -27.702 1.00 0.00 H new ATOM 0 HA THR A 19 -6.599 6.749 -29.059 1.00 0.00 H new ATOM 0 HB THR A 19 -7.484 5.959 -31.249 1.00 0.00 H new ATOM 0 HG1 THR A 19 -7.694 3.623 -31.461 1.00 0.00 H new ATOM 0 HG21 THR A 19 -5.572 4.439 -31.758 1.00 0.00 H new ATOM 0 HG22 THR A 19 -5.084 5.865 -30.811 1.00 0.00 H new ATOM 0 HG23 THR A 19 -5.263 4.285 -30.012 1.00 0.00 H new ATOM 291 N ASP A 20 -8.960 7.648 -29.875 1.00 0.00 N ATOM 292 CA ASP A 20 -10.254 8.326 -30.044 1.00 0.00 C ATOM 293 C ASP A 20 -10.358 8.996 -31.435 1.00 0.00 C ATOM 294 O ASP A 20 -9.341 9.403 -32.008 1.00 0.00 O ATOM 295 CB ASP A 20 -10.432 9.339 -28.902 1.00 0.00 C ATOM 296 CG ASP A 20 -11.802 10.016 -28.958 1.00 0.00 C ATOM 297 OD1 ASP A 20 -11.930 11.002 -29.715 1.00 0.00 O ATOM 298 OD2 ASP A 20 -12.753 9.531 -28.303 1.00 0.00 O ATOM 0 H ASP A 20 -8.208 8.098 -30.397 1.00 0.00 H new ATOM 0 HA ASP A 20 -11.061 7.595 -29.997 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -10.315 8.832 -27.944 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -9.649 10.095 -28.960 1.00 0.00 H new ATOM 303 N ARG A 21 -11.581 9.099 -31.981 1.00 0.00 N ATOM 304 CA ARG A 21 -11.881 9.628 -33.331 1.00 0.00 C ATOM 305 C ARG A 21 -12.841 10.834 -33.374 1.00 0.00 C ATOM 306 O ARG A 21 -13.317 11.191 -34.453 1.00 0.00 O ATOM 307 CB ARG A 21 -12.318 8.470 -34.252 1.00 0.00 C ATOM 308 CG ARG A 21 -13.667 7.836 -33.860 1.00 0.00 C ATOM 309 CD ARG A 21 -14.072 6.702 -34.813 1.00 0.00 C ATOM 310 NE ARG A 21 -14.394 7.200 -36.167 1.00 0.00 N ATOM 311 CZ ARG A 21 -14.693 6.467 -37.226 1.00 0.00 C ATOM 312 NH1 ARG A 21 -14.738 5.165 -37.179 1.00 0.00 N ATOM 313 NH2 ARG A 21 -14.955 7.036 -38.368 1.00 0.00 N ATOM 0 H ARG A 21 -12.421 8.807 -31.481 1.00 0.00 H new ATOM 0 HA ARG A 21 -10.954 10.058 -33.709 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -12.384 8.838 -35.276 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -11.548 7.699 -34.240 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -13.603 7.449 -32.843 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -14.441 8.603 -33.861 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -13.261 5.977 -34.878 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -14.936 6.178 -34.405 1.00 0.00 H new ATOM 0 HE ARG A 21 -14.385 8.212 -36.298 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -14.539 4.679 -36.305 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -14.972 4.632 -38.017 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -14.930 8.052 -38.449 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -15.185 6.465 -39.181 1.00 0.00 H new ATOM 327 N ASN A 22 -13.138 11.456 -32.229 1.00 0.00 N ATOM 328 CA ASN A 22 -14.047 12.610 -32.095 1.00 0.00 C ATOM 329 C ASN A 22 -13.422 13.826 -31.370 1.00 0.00 C ATOM 330 O ASN A 22 -13.913 14.945 -31.538 1.00 0.00 O ATOM 331 CB ASN A 22 -15.365 12.150 -31.438 1.00 0.00 C ATOM 332 CG ASN A 22 -15.165 11.641 -30.019 1.00 0.00 C ATOM 333 OD1 ASN A 22 -15.110 12.401 -29.064 1.00 0.00 O ATOM 334 ND2 ASN A 22 -15.017 10.346 -29.849 1.00 0.00 N ATOM 0 H ASN A 22 -12.741 11.164 -31.336 1.00 0.00 H new ATOM 0 HA ASN A 22 -14.254 12.978 -33.100 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -16.070 12.981 -31.426 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -15.812 11.361 -32.043 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -14.855 9.969 -28.915 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -15.064 9.718 -30.651 1.00 0.00 H new ATOM 341 N HIS A 23 -12.329 13.649 -30.618 1.00 0.00 N ATOM 342 CA HIS A 23 -11.529 14.744 -30.044 1.00 0.00 C ATOM 343 C HIS A 23 -10.851 15.566 -31.154 1.00 0.00 C ATOM 344 O HIS A 23 -10.075 15.035 -31.951 1.00 0.00 O ATOM 345 CB HIS A 23 -10.482 14.183 -29.062 1.00 0.00 C ATOM 346 CG HIS A 23 -11.002 13.937 -27.663 1.00 0.00 C ATOM 347 ND1 HIS A 23 -10.433 14.457 -26.496 1.00 0.00 N ATOM 348 CD2 HIS A 23 -12.105 13.213 -27.321 1.00 0.00 C ATOM 349 CE1 HIS A 23 -11.217 14.047 -25.483 1.00 0.00 C ATOM 350 NE2 HIS A 23 -12.225 13.292 -25.952 1.00 0.00 N ATOM 0 H HIS A 23 -11.967 12.724 -30.386 1.00 0.00 H new ATOM 0 HA HIS A 23 -12.197 15.408 -29.495 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -10.093 13.246 -29.461 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -9.644 14.878 -29.008 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -12.759 12.680 -27.995 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -11.059 14.290 -24.442 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -12.954 12.853 -25.390 1.00 0.00 H new ATOM 358 N ASP A 24 -11.143 16.868 -31.203 1.00 0.00 N ATOM 359 CA ASP A 24 -10.615 17.823 -32.192 1.00 0.00 C ATOM 360 C ASP A 24 -10.675 19.277 -31.679 1.00 0.00 C ATOM 361 O ASP A 24 -11.275 19.558 -30.636 1.00 0.00 O ATOM 362 CB ASP A 24 -11.411 17.696 -33.511 1.00 0.00 C ATOM 363 CG ASP A 24 -10.599 18.033 -34.780 1.00 0.00 C ATOM 364 OD1 ASP A 24 -9.455 18.540 -34.681 1.00 0.00 O ATOM 365 OD2 ASP A 24 -11.115 17.786 -35.897 1.00 0.00 O ATOM 0 H ASP A 24 -11.776 17.306 -30.533 1.00 0.00 H new ATOM 0 HA ASP A 24 -9.567 17.580 -32.365 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -11.789 16.677 -33.596 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -12.278 18.355 -33.463 1.00 0.00 H new ATOM 370 N LEU A 25 -10.086 20.203 -32.440 1.00 0.00 N ATOM 371 CA LEU A 25 -10.188 21.653 -32.245 1.00 0.00 C ATOM 372 C LEU A 25 -10.931 22.322 -33.417 1.00 0.00 C ATOM 373 O LEU A 25 -10.824 21.893 -34.569 1.00 0.00 O ATOM 374 CB LEU A 25 -8.788 22.265 -32.037 1.00 0.00 C ATOM 375 CG LEU A 25 -8.057 21.809 -30.759 1.00 0.00 C ATOM 376 CD1 LEU A 25 -6.653 22.415 -30.730 1.00 0.00 C ATOM 377 CD2 LEU A 25 -8.780 22.247 -29.480 1.00 0.00 C ATOM 0 H LEU A 25 -9.503 19.955 -33.239 1.00 0.00 H new ATOM 0 HA LEU A 25 -10.775 21.840 -31.346 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -8.169 22.017 -32.899 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -8.883 23.351 -32.015 1.00 0.00 H new ATOM 0 HG LEU A 25 -8.026 20.720 -30.786 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -6.136 22.092 -29.826 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -6.095 22.083 -31.605 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -6.726 23.503 -30.738 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -8.223 21.900 -28.610 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -8.850 23.334 -29.456 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -9.782 21.818 -29.464 1.00 0.00 H new ATOM 389 N ALA A 26 -11.674 23.387 -33.115 1.00 0.00 N ATOM 390 CA ALA A 26 -12.479 24.166 -34.063 1.00 0.00 C ATOM 391 C ALA A 26 -12.460 25.679 -33.727 1.00 0.00 C ATOM 392 O ALA A 26 -12.117 26.038 -32.593 1.00 0.00 O ATOM 393 CB ALA A 26 -13.906 23.595 -34.043 1.00 0.00 C ATOM 0 H ALA A 26 -11.736 23.748 -32.163 1.00 0.00 H new ATOM 0 HA ALA A 26 -12.058 24.082 -35.065 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -14.531 24.154 -34.739 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -13.882 22.546 -34.338 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -14.318 23.680 -33.037 1.00 0.00 H new ATOM 399 N PRO A 27 -12.837 26.577 -34.665 1.00 0.00 N ATOM 400 CA PRO A 27 -12.912 28.019 -34.437 1.00 0.00 C ATOM 401 C PRO A 27 -13.822 28.374 -33.254 1.00 0.00 C ATOM 402 O PRO A 27 -15.006 28.021 -33.214 1.00 0.00 O ATOM 403 CB PRO A 27 -13.397 28.639 -35.754 1.00 0.00 C ATOM 404 CG PRO A 27 -12.922 27.630 -36.794 1.00 0.00 C ATOM 405 CD PRO A 27 -13.125 26.306 -36.062 1.00 0.00 C ATOM 0 HA PRO A 27 -11.936 28.418 -34.160 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -14.480 28.758 -35.771 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -12.965 29.626 -35.920 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -13.507 27.683 -37.712 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -11.880 27.788 -37.071 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -14.145 25.942 -36.187 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -12.461 25.536 -36.456 1.00 0.00 H new ATOM 413 N ARG A 28 -13.224 29.047 -32.270 1.00 0.00 N ATOM 414 CA ARG A 28 -13.824 29.365 -30.964 1.00 0.00 C ATOM 415 C ARG A 28 -13.484 30.761 -30.417 1.00 0.00 C ATOM 416 O ARG A 28 -12.591 31.446 -30.914 1.00 0.00 O ATOM 417 CB ARG A 28 -13.488 28.231 -29.976 1.00 0.00 C ATOM 418 CG ARG A 28 -11.993 28.113 -29.639 1.00 0.00 C ATOM 419 CD ARG A 28 -11.747 26.935 -28.690 1.00 0.00 C ATOM 420 NE ARG A 28 -10.313 26.792 -28.369 1.00 0.00 N ATOM 421 CZ ARG A 28 -9.764 25.859 -27.611 1.00 0.00 C ATOM 422 NH1 ARG A 28 -10.470 24.924 -27.040 1.00 0.00 N ATOM 423 NH2 ARG A 28 -8.478 25.846 -27.410 1.00 0.00 N ATOM 0 H ARG A 28 -12.272 29.401 -32.360 1.00 0.00 H new ATOM 0 HA ARG A 28 -14.904 29.421 -31.104 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -14.046 28.391 -29.053 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -13.830 27.285 -30.396 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -11.418 27.976 -30.555 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -11.644 29.037 -29.179 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -12.314 27.082 -27.771 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -12.113 26.015 -29.147 1.00 0.00 H new ATOM 0 HE ARG A 28 -9.682 27.484 -28.773 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -11.481 24.896 -27.172 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -10.011 24.220 -26.462 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -7.888 26.559 -27.839 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -8.061 25.123 -26.824 1.00 0.00 H new ATOM 437 N GLN A 29 -14.224 31.164 -29.382 1.00 0.00 N ATOM 438 CA GLN A 29 -14.233 32.473 -28.722 1.00 0.00 C ATOM 439 C GLN A 29 -14.203 32.277 -27.200 1.00 0.00 C ATOM 440 O GLN A 29 -15.211 31.954 -26.574 1.00 0.00 O ATOM 441 CB GLN A 29 -15.508 33.258 -29.086 1.00 0.00 C ATOM 442 CG GLN A 29 -15.766 33.446 -30.591 1.00 0.00 C ATOM 443 CD GLN A 29 -17.152 32.950 -30.981 1.00 0.00 C ATOM 444 OE1 GLN A 29 -17.966 33.656 -31.559 1.00 0.00 O ATOM 445 NE2 GLN A 29 -17.444 31.708 -30.667 1.00 0.00 N ATOM 0 H GLN A 29 -14.891 30.528 -28.946 1.00 0.00 H new ATOM 0 HA GLN A 29 -13.358 33.031 -29.055 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -16.366 32.746 -28.650 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -15.453 34.242 -28.619 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -15.669 34.500 -30.850 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -15.010 32.906 -31.162 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -16.757 31.129 -30.185 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -18.358 31.323 -30.905 1.00 0.00 H new ATOM 454 N ILE A 30 -13.039 32.461 -26.591 1.00 0.00 N ATOM 455 CA ILE A 30 -12.872 32.465 -25.140 1.00 0.00 C ATOM 456 C ILE A 30 -13.314 33.831 -24.606 1.00 0.00 C ATOM 457 O ILE A 30 -12.630 34.842 -24.786 1.00 0.00 O ATOM 458 CB ILE A 30 -11.422 32.114 -24.747 1.00 0.00 C ATOM 459 CG1 ILE A 30 -11.016 30.664 -25.095 1.00 0.00 C ATOM 460 CG2 ILE A 30 -11.246 32.260 -23.221 1.00 0.00 C ATOM 461 CD1 ILE A 30 -11.162 30.174 -26.540 1.00 0.00 C ATOM 0 H ILE A 30 -12.168 32.615 -27.099 1.00 0.00 H new ATOM 0 HA ILE A 30 -13.497 31.696 -24.686 1.00 0.00 H new ATOM 0 HB ILE A 30 -10.794 32.801 -25.315 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -9.972 30.538 -24.810 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -11.602 29.998 -24.462 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -10.221 32.011 -22.948 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -11.461 33.287 -22.927 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -11.932 31.585 -22.709 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -10.833 29.137 -26.608 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -12.206 30.244 -26.844 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -10.551 30.792 -27.197 1.00 0.00 H new ATOM 473 N ALA A 31 -14.452 33.838 -23.921 1.00 0.00 N ATOM 474 CA ALA A 31 -14.887 34.936 -23.062 1.00 0.00 C ATOM 475 C ALA A 31 -14.529 34.645 -21.597 1.00 0.00 C ATOM 476 O ALA A 31 -14.410 33.486 -21.189 1.00 0.00 O ATOM 477 CB ALA A 31 -16.390 35.157 -23.263 1.00 0.00 C ATOM 0 H ALA A 31 -15.114 33.063 -23.947 1.00 0.00 H new ATOM 0 HA ALA A 31 -14.368 35.856 -23.332 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -16.726 35.975 -22.626 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -16.585 35.406 -24.306 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -16.930 34.247 -23.000 1.00 0.00 H new ATOM 483 N ARG A 32 -14.386 35.697 -20.789 1.00 0.00 N ATOM 484 CA ARG A 32 -14.283 35.601 -19.325 1.00 0.00 C ATOM 485 C ARG A 32 -15.581 36.055 -18.668 1.00 0.00 C ATOM 486 O ARG A 32 -16.280 36.914 -19.208 1.00 0.00 O ATOM 487 CB ARG A 32 -13.058 36.377 -18.796 1.00 0.00 C ATOM 488 CG ARG A 32 -11.949 35.407 -18.381 1.00 0.00 C ATOM 489 CD ARG A 32 -10.699 36.108 -17.843 1.00 0.00 C ATOM 490 NE ARG A 32 -9.845 35.143 -17.121 1.00 0.00 N ATOM 491 CZ ARG A 32 -9.277 35.269 -15.934 1.00 0.00 C ATOM 492 NH1 ARG A 32 -9.380 36.331 -15.184 1.00 0.00 N ATOM 493 NH2 ARG A 32 -8.581 34.278 -15.462 1.00 0.00 N ATOM 0 H ARG A 32 -14.337 36.655 -21.135 1.00 0.00 H new ATOM 0 HA ARG A 32 -14.128 34.556 -19.057 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -12.688 37.054 -19.566 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -13.349 36.992 -17.944 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -12.334 34.731 -17.618 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -11.672 34.794 -19.239 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -10.141 36.554 -18.666 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -10.987 36.920 -17.176 1.00 0.00 H new ATOM 0 HE ARG A 32 -9.670 34.261 -17.603 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -9.926 37.131 -15.505 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -8.915 36.362 -14.277 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -8.480 33.421 -16.006 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -8.136 34.357 -14.548 1.00 0.00 H new ATOM 507 N TYR A 33 -15.869 35.512 -17.486 1.00 0.00 N ATOM 508 CA TYR A 33 -16.999 35.918 -16.643 1.00 0.00 C ATOM 509 C TYR A 33 -16.598 35.989 -15.163 1.00 0.00 C ATOM 510 O TYR A 33 -15.891 35.111 -14.666 1.00 0.00 O ATOM 511 CB TYR A 33 -18.187 34.975 -16.832 1.00 0.00 C ATOM 512 CG TYR A 33 -18.785 34.928 -18.219 1.00 0.00 C ATOM 513 CD1 TYR A 33 -18.189 34.150 -19.226 1.00 0.00 C ATOM 514 CD2 TYR A 33 -19.968 35.636 -18.485 1.00 0.00 C ATOM 515 CE1 TYR A 33 -18.798 34.057 -20.489 1.00 0.00 C ATOM 516 CE2 TYR A 33 -20.574 35.553 -19.747 1.00 0.00 C ATOM 517 CZ TYR A 33 -20.012 34.729 -20.739 1.00 0.00 C ATOM 518 OH TYR A 33 -20.678 34.553 -21.903 1.00 0.00 O ATOM 0 H TYR A 33 -15.313 34.761 -17.077 1.00 0.00 H new ATOM 0 HA TYR A 33 -17.299 36.918 -16.957 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -17.872 33.968 -16.560 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -18.970 35.264 -16.131 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -17.266 33.625 -19.030 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -20.413 36.247 -17.714 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -18.336 33.470 -21.269 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -21.469 36.120 -19.957 1.00 0.00 H new ATOM 0 HH TYR A 33 -21.340 35.267 -22.012 1.00 0.00 H new ATOM 528 N ARG A 34 -17.056 37.036 -14.460 1.00 0.00 N ATOM 529 CA ARG A 34 -16.791 37.300 -13.035 1.00 0.00 C ATOM 530 C ARG A 34 -18.011 36.983 -12.178 1.00 0.00 C ATOM 531 O ARG A 34 -19.088 37.526 -12.418 1.00 0.00 O ATOM 532 CB ARG A 34 -16.328 38.757 -12.845 1.00 0.00 C ATOM 533 CG ARG A 34 -15.951 39.060 -11.387 1.00 0.00 C ATOM 534 CD ARG A 34 -14.942 40.209 -11.285 1.00 0.00 C ATOM 535 NE ARG A 34 -15.464 41.480 -11.824 1.00 0.00 N ATOM 536 CZ ARG A 34 -14.842 42.323 -12.632 1.00 0.00 C ATOM 537 NH1 ARG A 34 -13.680 42.079 -13.172 1.00 0.00 N ATOM 538 NH2 ARG A 34 -15.398 43.463 -12.928 1.00 0.00 N ATOM 0 H ARG A 34 -17.645 37.752 -14.885 1.00 0.00 H new ATOM 0 HA ARG A 34 -15.989 36.641 -12.703 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -15.470 38.951 -13.488 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -17.122 39.433 -13.161 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -16.850 39.315 -10.825 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -15.531 38.166 -10.927 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -14.664 40.350 -10.241 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -14.034 39.937 -11.823 1.00 0.00 H new ATOM 0 HE ARG A 34 -16.410 41.737 -11.542 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -13.202 41.199 -12.978 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -13.249 42.768 -13.788 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -16.309 43.703 -12.537 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -14.922 44.116 -13.550 1.00 0.00 H new ATOM 552 N THR A 35 -17.836 36.118 -11.186 1.00 0.00 N ATOM 553 CA THR A 35 -18.883 35.686 -10.245 1.00 0.00 C ATOM 554 C THR A 35 -19.149 36.741 -9.173 1.00 0.00 C ATOM 555 O THR A 35 -18.466 37.764 -9.085 1.00 0.00 O ATOM 556 CB THR A 35 -18.531 34.372 -9.543 1.00 0.00 C ATOM 557 OG1 THR A 35 -17.388 34.545 -8.762 1.00 0.00 O ATOM 558 CG2 THR A 35 -18.306 33.218 -10.503 1.00 0.00 C ATOM 0 H THR A 35 -16.934 35.679 -11.002 1.00 0.00 H new ATOM 0 HA THR A 35 -19.776 35.540 -10.852 1.00 0.00 H new ATOM 0 HB THR A 35 -19.390 34.113 -8.924 1.00 0.00 H new ATOM 0 HG1 THR A 35 -16.621 34.732 -9.342 1.00 0.00 H new ATOM 0 HG21 THR A 35 -18.060 32.318 -9.939 1.00 0.00 H new ATOM 0 HG22 THR A 35 -19.212 33.046 -11.084 1.00 0.00 H new ATOM 0 HG23 THR A 35 -17.484 33.460 -11.176 1.00 0.00 H new ATOM 566 N ASP A 36 -20.113 36.466 -8.294 1.00 0.00 N ATOM 567 CA ASP A 36 -20.507 37.397 -7.242 1.00 0.00 C ATOM 568 C ASP A 36 -19.474 37.531 -6.107 1.00 0.00 C ATOM 569 O ASP A 36 -19.505 38.528 -5.381 1.00 0.00 O ATOM 570 CB ASP A 36 -21.899 37.002 -6.726 1.00 0.00 C ATOM 571 CG ASP A 36 -22.515 38.069 -5.802 1.00 0.00 C ATOM 572 OD1 ASP A 36 -22.814 39.187 -6.285 1.00 0.00 O ATOM 573 OD2 ASP A 36 -22.743 37.779 -4.603 1.00 0.00 O ATOM 0 H ASP A 36 -20.640 35.593 -8.293 1.00 0.00 H new ATOM 0 HA ASP A 36 -20.550 38.396 -7.676 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -22.563 36.835 -7.574 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -21.828 36.058 -6.187 1.00 0.00 H new ATOM 578 N ASN A 37 -18.509 36.602 -5.984 1.00 0.00 N ATOM 579 CA ASN A 37 -17.388 36.769 -5.043 1.00 0.00 C ATOM 580 C ASN A 37 -16.164 37.473 -5.682 1.00 0.00 C ATOM 581 O ASN A 37 -15.115 37.596 -5.044 1.00 0.00 O ATOM 582 CB ASN A 37 -16.991 35.441 -4.386 1.00 0.00 C ATOM 583 CG ASN A 37 -18.116 34.485 -4.040 1.00 0.00 C ATOM 584 OD1 ASN A 37 -19.187 34.846 -3.570 1.00 0.00 O ATOM 585 ND2 ASN A 37 -17.875 33.214 -4.246 1.00 0.00 N ATOM 0 H ASN A 37 -18.483 35.735 -6.520 1.00 0.00 H new ATOM 0 HA ASN A 37 -17.751 37.431 -4.257 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -16.300 34.925 -5.053 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -16.443 35.665 -3.471 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -18.582 32.517 -4.014 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -16.980 32.922 -4.638 1.00 0.00 H new ATOM 592 N GLY A 38 -16.265 37.888 -6.952 1.00 0.00 N ATOM 593 CA GLY A 38 -15.146 38.365 -7.778 1.00 0.00 C ATOM 594 C GLY A 38 -14.337 37.261 -8.459 1.00 0.00 C ATOM 595 O GLY A 38 -13.318 37.555 -9.084 1.00 0.00 O ATOM 0 H GLY A 38 -17.156 37.902 -7.449 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -15.537 39.035 -8.544 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -14.476 38.954 -7.152 1.00 0.00 H new ATOM 599 N GLU A 39 -14.756 36.000 -8.342 1.00 0.00 N ATOM 600 CA GLU A 39 -14.025 34.861 -8.913 1.00 0.00 C ATOM 601 C GLU A 39 -14.221 34.859 -10.434 1.00 0.00 C ATOM 602 O GLU A 39 -15.354 34.773 -10.906 1.00 0.00 O ATOM 603 CB GLU A 39 -14.472 33.516 -8.300 1.00 0.00 C ATOM 604 CG GLU A 39 -14.821 33.599 -6.807 1.00 0.00 C ATOM 605 CD GLU A 39 -14.583 32.325 -5.978 1.00 0.00 C ATOM 606 OE1 GLU A 39 -13.595 31.584 -6.205 1.00 0.00 O ATOM 607 OE2 GLU A 39 -15.383 32.102 -5.036 1.00 0.00 O ATOM 0 H GLU A 39 -15.610 35.737 -7.850 1.00 0.00 H new ATOM 0 HA GLU A 39 -12.967 34.973 -8.675 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -15.341 33.150 -8.847 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -13.677 32.783 -8.437 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -14.240 34.408 -6.365 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -15.872 33.875 -6.716 1.00 0.00 H new ATOM 614 N GLU A 40 -13.143 34.960 -11.207 1.00 0.00 N ATOM 615 CA GLU A 40 -13.203 34.998 -12.676 1.00 0.00 C ATOM 616 C GLU A 40 -12.822 33.655 -13.310 1.00 0.00 C ATOM 617 O GLU A 40 -11.789 33.059 -12.987 1.00 0.00 O ATOM 618 CB GLU A 40 -12.292 36.092 -13.251 1.00 0.00 C ATOM 619 CG GLU A 40 -12.964 37.464 -13.228 1.00 0.00 C ATOM 620 CD GLU A 40 -12.091 38.568 -13.861 1.00 0.00 C ATOM 621 OE1 GLU A 40 -11.341 38.289 -14.830 1.00 0.00 O ATOM 622 OE2 GLU A 40 -12.176 39.730 -13.398 1.00 0.00 O ATOM 0 H GLU A 40 -12.195 35.018 -10.835 1.00 0.00 H new ATOM 0 HA GLU A 40 -14.241 35.221 -12.924 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -11.366 36.132 -12.677 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -12.021 35.837 -14.276 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -13.913 37.408 -13.761 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -13.193 37.734 -12.197 1.00 0.00 H new ATOM 629 N PHE A 41 -13.655 33.216 -14.255 1.00 0.00 N ATOM 630 CA PHE A 41 -13.501 31.977 -15.022 1.00 0.00 C ATOM 631 C PHE A 41 -13.642 32.216 -16.529 1.00 0.00 C ATOM 632 O PHE A 41 -14.222 33.211 -16.965 1.00 0.00 O ATOM 633 CB PHE A 41 -14.539 30.954 -14.552 1.00 0.00 C ATOM 634 CG PHE A 41 -14.369 30.528 -13.105 1.00 0.00 C ATOM 635 CD1 PHE A 41 -14.971 31.251 -12.055 1.00 0.00 C ATOM 636 CD2 PHE A 41 -13.563 29.415 -12.802 1.00 0.00 C ATOM 637 CE1 PHE A 41 -14.766 30.850 -10.729 1.00 0.00 C ATOM 638 CE2 PHE A 41 -13.344 29.027 -11.470 1.00 0.00 C ATOM 639 CZ PHE A 41 -13.946 29.750 -10.429 1.00 0.00 C ATOM 0 H PHE A 41 -14.492 33.736 -14.519 1.00 0.00 H new ATOM 0 HA PHE A 41 -12.496 31.594 -14.846 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -15.536 31.376 -14.682 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -14.481 30.072 -15.190 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -15.588 32.111 -12.272 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -13.107 28.852 -13.603 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -15.244 31.393 -9.927 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -12.716 28.177 -11.248 1.00 0.00 H new ATOM 0 HZ PHE A 41 -13.780 29.462 -9.402 1.00 0.00 H new ATOM 649 N GLU A 42 -13.144 31.276 -17.331 1.00 0.00 N ATOM 650 CA GLU A 42 -13.118 31.355 -18.792 1.00 0.00 C ATOM 651 C GLU A 42 -14.097 30.355 -19.413 1.00 0.00 C ATOM 652 O GLU A 42 -14.115 29.175 -19.044 1.00 0.00 O ATOM 653 CB GLU A 42 -11.701 31.115 -19.347 1.00 0.00 C ATOM 654 CG GLU A 42 -10.589 31.900 -18.631 1.00 0.00 C ATOM 655 CD GLU A 42 -9.927 31.200 -17.427 1.00 0.00 C ATOM 656 OE1 GLU A 42 -10.205 30.009 -17.141 1.00 0.00 O ATOM 657 OE2 GLU A 42 -9.114 31.878 -16.752 1.00 0.00 O ATOM 0 H GLU A 42 -12.735 30.413 -16.972 1.00 0.00 H new ATOM 0 HA GLU A 42 -13.425 32.365 -19.064 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -11.475 30.051 -19.282 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -11.690 31.379 -20.405 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -9.813 32.136 -19.359 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -11.004 32.848 -18.290 1.00 0.00 H new ATOM 664 N VAL A 43 -14.888 30.816 -20.379 1.00 0.00 N ATOM 665 CA VAL A 43 -15.862 29.998 -21.115 1.00 0.00 C ATOM 666 C VAL A 43 -15.533 30.037 -22.616 1.00 0.00 C ATOM 667 O VAL A 43 -15.708 31.081 -23.252 1.00 0.00 O ATOM 668 CB VAL A 43 -17.307 30.455 -20.843 1.00 0.00 C ATOM 669 CG1 VAL A 43 -18.306 29.481 -21.477 1.00 0.00 C ATOM 670 CG2 VAL A 43 -17.619 30.566 -19.344 1.00 0.00 C ATOM 0 H VAL A 43 -14.873 31.790 -20.682 1.00 0.00 H new ATOM 0 HA VAL A 43 -15.790 28.968 -20.765 1.00 0.00 H new ATOM 0 HB VAL A 43 -17.403 31.446 -21.288 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -19.322 29.819 -21.275 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -18.144 29.443 -22.554 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -18.164 28.487 -21.053 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -18.651 30.892 -19.210 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -17.481 29.594 -18.871 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -16.947 31.291 -18.885 1.00 0.00 H new ATOM 680 N PRO A 44 -15.051 28.925 -23.204 1.00 0.00 N ATOM 681 CA PRO A 44 -14.840 28.809 -24.644 1.00 0.00 C ATOM 682 C PRO A 44 -16.164 28.520 -25.378 1.00 0.00 C ATOM 683 O PRO A 44 -16.792 27.478 -25.176 1.00 0.00 O ATOM 684 CB PRO A 44 -13.812 27.683 -24.810 1.00 0.00 C ATOM 685 CG PRO A 44 -14.036 26.790 -23.589 1.00 0.00 C ATOM 686 CD PRO A 44 -14.544 27.748 -22.509 1.00 0.00 C ATOM 0 HA PRO A 44 -14.473 29.735 -25.086 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -13.968 27.135 -25.739 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -12.795 28.073 -24.837 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -14.763 26.005 -23.798 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -13.114 26.297 -23.282 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -15.329 27.281 -21.914 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -13.742 28.019 -21.822 1.00 0.00 H new ATOM 694 N PHE A 45 -16.568 29.430 -26.266 1.00 0.00 N ATOM 695 CA PHE A 45 -17.729 29.306 -27.160 1.00 0.00 C ATOM 696 C PHE A 45 -17.300 28.925 -28.576 1.00 0.00 C ATOM 697 O PHE A 45 -16.335 29.475 -29.094 1.00 0.00 O ATOM 698 CB PHE A 45 -18.488 30.635 -27.207 1.00 0.00 C ATOM 699 CG PHE A 45 -19.314 30.907 -25.968 1.00 0.00 C ATOM 700 CD1 PHE A 45 -18.709 31.493 -24.842 1.00 0.00 C ATOM 701 CD2 PHE A 45 -20.681 30.574 -25.937 1.00 0.00 C ATOM 702 CE1 PHE A 45 -19.477 31.762 -23.699 1.00 0.00 C ATOM 703 CE2 PHE A 45 -21.443 30.830 -24.782 1.00 0.00 C ATOM 704 CZ PHE A 45 -20.838 31.424 -23.661 1.00 0.00 C ATOM 0 H PHE A 45 -16.075 30.314 -26.390 1.00 0.00 H new ATOM 0 HA PHE A 45 -18.373 28.518 -26.768 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -17.773 31.447 -27.342 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -19.143 30.639 -28.078 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -17.657 31.735 -24.857 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -21.146 30.122 -26.801 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -19.017 32.233 -22.843 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -22.491 30.570 -24.757 1.00 0.00 H new ATOM 0 HZ PHE A 45 -21.420 31.620 -22.772 1.00 0.00 H new ATOM 714 N ALA A 46 -18.053 28.068 -29.254 1.00 0.00 N ATOM 715 CA ALA A 46 -17.810 27.717 -30.656 1.00 0.00 C ATOM 716 C ALA A 46 -18.360 28.801 -31.600 1.00 0.00 C ATOM 717 O ALA A 46 -19.256 29.555 -31.226 1.00 0.00 O ATOM 718 CB ALA A 46 -18.426 26.340 -30.935 1.00 0.00 C ATOM 0 H ALA A 46 -18.857 27.591 -28.847 1.00 0.00 H new ATOM 0 HA ALA A 46 -16.738 27.663 -30.843 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -18.252 26.068 -31.976 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -17.966 25.597 -30.283 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -19.499 26.376 -30.744 1.00 0.00 H new ATOM 724 N ASP A 47 -17.864 28.868 -32.836 1.00 0.00 N ATOM 725 CA ASP A 47 -18.299 29.830 -33.868 1.00 0.00 C ATOM 726 C ASP A 47 -19.802 29.728 -34.221 1.00 0.00 C ATOM 727 O ASP A 47 -20.399 30.679 -34.727 1.00 0.00 O ATOM 728 CB ASP A 47 -17.416 29.629 -35.107 1.00 0.00 C ATOM 729 CG ASP A 47 -17.721 30.634 -36.232 1.00 0.00 C ATOM 730 OD1 ASP A 47 -17.390 31.835 -36.079 1.00 0.00 O ATOM 731 OD2 ASP A 47 -18.250 30.218 -37.292 1.00 0.00 O ATOM 0 H ASP A 47 -17.129 28.241 -33.163 1.00 0.00 H new ATOM 0 HA ASP A 47 -18.179 30.837 -33.469 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -16.369 29.721 -34.819 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -17.555 28.616 -35.485 1.00 0.00 H new ATOM 736 N ASP A 48 -20.437 28.590 -33.912 1.00 0.00 N ATOM 737 CA ASP A 48 -21.889 28.379 -34.026 1.00 0.00 C ATOM 738 C ASP A 48 -22.707 29.137 -32.949 1.00 0.00 C ATOM 739 O ASP A 48 -23.930 29.263 -33.065 1.00 0.00 O ATOM 740 CB ASP A 48 -22.146 26.866 -33.952 1.00 0.00 C ATOM 741 CG ASP A 48 -23.599 26.485 -34.291 1.00 0.00 C ATOM 742 OD1 ASP A 48 -24.037 26.719 -35.443 1.00 0.00 O ATOM 743 OD2 ASP A 48 -24.295 25.902 -33.422 1.00 0.00 O ATOM 0 H ASP A 48 -19.943 27.767 -33.566 1.00 0.00 H new ATOM 0 HA ASP A 48 -22.228 28.788 -34.978 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -21.472 26.355 -34.640 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -21.908 26.511 -32.949 1.00 0.00 H new ATOM 748 N ALA A 49 -22.038 29.661 -31.917 1.00 0.00 N ATOM 749 CA ALA A 49 -22.606 30.403 -30.788 1.00 0.00 C ATOM 750 C ALA A 49 -22.014 31.824 -30.651 1.00 0.00 C ATOM 751 O ALA A 49 -20.924 32.116 -31.147 1.00 0.00 O ATOM 752 CB ALA A 49 -22.381 29.580 -29.512 1.00 0.00 C ATOM 0 H ALA A 49 -21.024 29.573 -31.844 1.00 0.00 H new ATOM 0 HA ALA A 49 -23.672 30.546 -30.962 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -22.796 30.113 -28.657 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -22.874 28.613 -29.611 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -21.312 29.428 -29.361 1.00 0.00 H new ATOM 758 N GLU A 50 -22.718 32.704 -29.932 1.00 0.00 N ATOM 759 CA GLU A 50 -22.268 34.062 -29.580 1.00 0.00 C ATOM 760 C GLU A 50 -22.458 34.342 -28.082 1.00 0.00 C ATOM 761 O GLU A 50 -23.465 33.951 -27.491 1.00 0.00 O ATOM 762 CB GLU A 50 -23.008 35.124 -30.412 1.00 0.00 C ATOM 763 CG GLU A 50 -22.509 35.171 -31.859 1.00 0.00 C ATOM 764 CD GLU A 50 -23.312 36.191 -32.689 1.00 0.00 C ATOM 765 OE1 GLU A 50 -22.924 37.385 -32.735 1.00 0.00 O ATOM 766 OE2 GLU A 50 -24.337 35.811 -33.307 1.00 0.00 O ATOM 0 H GLU A 50 -23.645 32.488 -29.566 1.00 0.00 H new ATOM 0 HA GLU A 50 -21.204 34.120 -29.809 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -24.077 34.910 -30.404 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -22.875 36.103 -29.951 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -21.452 35.437 -31.874 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -22.596 34.182 -32.309 1.00 0.00 H new ATOM 773 N ILE A 51 -21.483 35.041 -27.494 1.00 0.00 N ATOM 774 CA ILE A 51 -21.321 35.352 -26.066 1.00 0.00 C ATOM 775 C ILE A 51 -22.545 36.098 -25.504 1.00 0.00 C ATOM 776 O ILE A 51 -22.768 37.268 -25.840 1.00 0.00 O ATOM 777 CB ILE A 51 -20.043 36.188 -25.798 1.00 0.00 C ATOM 778 CG1 ILE A 51 -18.812 35.751 -26.630 1.00 0.00 C ATOM 779 CG2 ILE A 51 -19.700 36.183 -24.296 1.00 0.00 C ATOM 780 CD1 ILE A 51 -18.325 34.318 -26.413 1.00 0.00 C ATOM 0 H ILE A 51 -20.723 35.437 -28.047 1.00 0.00 H new ATOM 0 HA ILE A 51 -21.226 34.394 -25.555 1.00 0.00 H new ATOM 0 HB ILE A 51 -20.280 37.201 -26.123 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -19.051 35.876 -27.686 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -17.989 36.430 -26.407 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -18.800 36.775 -24.126 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -20.528 36.612 -23.732 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -19.528 35.159 -23.965 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -17.460 34.128 -27.048 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -18.045 34.183 -25.368 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -19.123 33.620 -26.668 1.00 0.00 H new ATOM 792 N PRO A 52 -23.343 35.450 -24.643 1.00 0.00 N ATOM 793 CA PRO A 52 -24.385 36.107 -23.870 1.00 0.00 C ATOM 794 C PRO A 52 -23.772 36.964 -22.750 1.00 0.00 C ATOM 795 O PRO A 52 -22.709 36.643 -22.211 1.00 0.00 O ATOM 796 CB PRO A 52 -25.246 34.965 -23.332 1.00 0.00 C ATOM 797 CG PRO A 52 -24.263 33.806 -23.188 1.00 0.00 C ATOM 798 CD PRO A 52 -23.224 34.052 -24.276 1.00 0.00 C ATOM 0 HA PRO A 52 -24.981 36.801 -24.463 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -25.702 35.224 -22.377 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -26.058 34.719 -24.017 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -23.806 33.793 -22.198 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -24.759 32.845 -23.323 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -22.221 33.829 -23.913 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -23.402 33.407 -25.137 1.00 0.00 H new ATOM 806 N GLY A 53 -24.463 38.048 -22.381 1.00 0.00 N ATOM 807 CA GLY A 53 -24.054 39.014 -21.345 1.00 0.00 C ATOM 808 C GLY A 53 -23.634 38.404 -19.999 1.00 0.00 C ATOM 809 O GLY A 53 -22.777 38.962 -19.310 1.00 0.00 O ATOM 0 H GLY A 53 -25.357 38.289 -22.809 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -23.223 39.604 -21.731 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -24.880 39.703 -21.170 1.00 0.00 H new ATOM 813 N THR A 54 -24.196 37.251 -19.623 1.00 0.00 N ATOM 814 CA THR A 54 -23.760 36.467 -18.460 1.00 0.00 C ATOM 815 C THR A 54 -23.777 34.952 -18.736 1.00 0.00 C ATOM 816 O THR A 54 -24.451 34.484 -19.661 1.00 0.00 O ATOM 817 CB THR A 54 -24.668 36.731 -17.238 1.00 0.00 C ATOM 818 OG1 THR A 54 -26.007 36.374 -17.525 1.00 0.00 O ATOM 819 CG2 THR A 54 -24.746 38.197 -16.819 1.00 0.00 C ATOM 0 H THR A 54 -24.978 36.829 -20.124 1.00 0.00 H new ATOM 0 HA THR A 54 -22.738 36.786 -18.254 1.00 0.00 H new ATOM 0 HB THR A 54 -24.216 36.138 -16.443 1.00 0.00 H new ATOM 0 HG1 THR A 54 -26.567 36.546 -16.739 1.00 0.00 H new ATOM 0 HG21 THR A 54 -25.403 38.294 -15.955 1.00 0.00 H new ATOM 0 HG22 THR A 54 -23.750 38.555 -16.559 1.00 0.00 H new ATOM 0 HG23 THR A 54 -25.141 38.791 -17.644 1.00 0.00 H new ATOM 827 N TRP A 55 -23.031 34.172 -17.941 1.00 0.00 N ATOM 828 CA TRP A 55 -22.903 32.710 -18.061 1.00 0.00 C ATOM 829 C TRP A 55 -22.473 32.056 -16.734 1.00 0.00 C ATOM 830 O TRP A 55 -21.737 32.650 -15.944 1.00 0.00 O ATOM 831 CB TRP A 55 -21.890 32.376 -19.162 1.00 0.00 C ATOM 832 CG TRP A 55 -21.862 30.945 -19.599 1.00 0.00 C ATOM 833 CD1 TRP A 55 -21.054 29.989 -19.098 1.00 0.00 C ATOM 834 CD2 TRP A 55 -22.651 30.286 -20.636 1.00 0.00 C ATOM 835 NE1 TRP A 55 -21.251 28.803 -19.773 1.00 0.00 N ATOM 836 CE2 TRP A 55 -22.239 28.921 -20.727 1.00 0.00 C ATOM 837 CE3 TRP A 55 -23.663 30.710 -21.519 1.00 0.00 C ATOM 838 CZ2 TRP A 55 -22.801 28.027 -21.649 1.00 0.00 C ATOM 839 CZ3 TRP A 55 -24.244 29.821 -22.444 1.00 0.00 C ATOM 840 CH2 TRP A 55 -23.815 28.481 -22.511 1.00 0.00 C ATOM 0 H TRP A 55 -22.481 34.553 -17.171 1.00 0.00 H new ATOM 0 HA TRP A 55 -23.883 32.307 -18.319 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -22.105 32.999 -20.030 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -20.895 32.650 -18.811 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -20.355 30.131 -18.287 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -20.731 27.945 -19.589 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -24.000 31.736 -21.486 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -22.460 27.003 -21.697 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -25.023 30.169 -23.106 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -24.264 27.804 -23.223 1.00 0.00 H new ATOM 851 N LEU A 56 -22.917 30.823 -16.467 1.00 0.00 N ATOM 852 CA LEU A 56 -22.591 30.089 -15.237 1.00 0.00 C ATOM 853 C LEU A 56 -21.105 29.680 -15.196 1.00 0.00 C ATOM 854 O LEU A 56 -20.601 29.014 -16.104 1.00 0.00 O ATOM 855 CB LEU A 56 -23.528 28.872 -15.105 1.00 0.00 C ATOM 856 CG LEU A 56 -24.163 28.714 -13.713 1.00 0.00 C ATOM 857 CD1 LEU A 56 -25.224 27.613 -13.746 1.00 0.00 C ATOM 858 CD2 LEU A 56 -23.135 28.338 -12.649 1.00 0.00 C ATOM 0 H LEU A 56 -23.519 30.301 -17.104 1.00 0.00 H new ATOM 0 HA LEU A 56 -22.749 30.745 -14.381 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -24.322 28.957 -15.847 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -22.967 27.968 -15.341 1.00 0.00 H new ATOM 0 HG LEU A 56 -24.601 29.678 -13.457 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -25.669 27.507 -12.757 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -25.999 27.876 -14.466 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -24.761 26.670 -14.039 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -23.631 28.238 -11.683 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -22.665 27.391 -12.916 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -22.374 29.116 -12.587 1.00 0.00 H new ATOM 870 N CYS A 57 -20.406 30.063 -14.129 1.00 0.00 N ATOM 871 CA CYS A 57 -18.981 29.791 -13.930 1.00 0.00 C ATOM 872 C CYS A 57 -18.728 28.490 -13.158 1.00 0.00 C ATOM 873 O CYS A 57 -19.612 27.962 -12.477 1.00 0.00 O ATOM 874 CB CYS A 57 -18.351 30.985 -13.211 1.00 0.00 C ATOM 875 SG CYS A 57 -18.273 32.389 -14.344 1.00 0.00 S ATOM 0 H CYS A 57 -20.824 30.584 -13.359 1.00 0.00 H new ATOM 0 HA CYS A 57 -18.519 29.653 -14.907 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -18.938 31.245 -12.331 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -17.351 30.728 -12.862 1.00 0.00 H new ATOM 0 HG CYS A 57 -17.740 33.407 -13.737 1.00 0.00 H new ATOM 881 N ARG A 58 -17.478 28.006 -13.198 1.00 0.00 N ATOM 882 CA ARG A 58 -17.066 26.725 -12.587 1.00 0.00 C ATOM 883 C ARG A 58 -17.187 26.705 -11.055 1.00 0.00 C ATOM 884 O ARG A 58 -17.277 25.631 -10.459 1.00 0.00 O ATOM 885 CB ARG A 58 -15.628 26.349 -13.005 1.00 0.00 C ATOM 886 CG ARG A 58 -15.309 26.540 -14.499 1.00 0.00 C ATOM 887 CD ARG A 58 -13.865 26.128 -14.818 1.00 0.00 C ATOM 888 NE ARG A 58 -13.417 26.748 -16.083 1.00 0.00 N ATOM 889 CZ ARG A 58 -12.315 27.449 -16.287 1.00 0.00 C ATOM 890 NH1 ARG A 58 -11.360 27.570 -15.410 1.00 0.00 N ATOM 891 NH2 ARG A 58 -12.141 28.097 -17.394 1.00 0.00 N ATOM 0 H ARG A 58 -16.712 28.496 -13.660 1.00 0.00 H new ATOM 0 HA ARG A 58 -17.766 25.981 -12.968 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -14.929 26.947 -12.421 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -15.451 25.306 -12.743 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -16.000 25.947 -15.099 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -15.461 27.583 -14.775 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -13.206 26.431 -14.004 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -13.799 25.043 -14.895 1.00 0.00 H new ATOM 0 HE ARG A 58 -14.028 26.620 -16.890 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -11.438 27.108 -14.504 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -10.534 28.126 -15.629 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -12.858 28.070 -18.119 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -11.287 28.635 -17.541 1.00 0.00 H new ATOM 905 N ASN A 59 -17.244 27.883 -10.424 1.00 0.00 N ATOM 906 CA ASN A 59 -17.508 28.056 -8.989 1.00 0.00 C ATOM 907 C ASN A 59 -18.955 27.660 -8.586 1.00 0.00 C ATOM 908 O ASN A 59 -19.249 27.436 -7.411 1.00 0.00 O ATOM 909 CB ASN A 59 -17.213 29.529 -8.659 1.00 0.00 C ATOM 910 CG ASN A 59 -17.417 29.956 -7.213 1.00 0.00 C ATOM 911 OD1 ASN A 59 -17.225 29.208 -6.265 1.00 0.00 O ATOM 912 ND2 ASN A 59 -17.751 31.211 -7.002 1.00 0.00 N ATOM 0 H ASN A 59 -17.104 28.768 -10.910 1.00 0.00 H new ATOM 0 HA ASN A 59 -16.868 27.387 -8.414 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -16.180 29.740 -8.934 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -17.845 30.153 -9.291 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -17.850 31.559 -6.048 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -17.911 31.836 -7.792 1.00 0.00 H new ATOM 919 N GLY A 60 -19.864 27.560 -9.561 1.00 0.00 N ATOM 920 CA GLY A 60 -21.298 27.306 -9.361 1.00 0.00 C ATOM 921 C GLY A 60 -22.135 28.582 -9.197 1.00 0.00 C ATOM 922 O GLY A 60 -23.290 28.505 -8.777 1.00 0.00 O ATOM 0 H GLY A 60 -19.615 27.657 -10.545 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -21.679 26.739 -10.210 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -21.427 26.681 -8.477 1.00 0.00 H new ATOM 926 N MET A 61 -21.563 29.750 -9.520 1.00 0.00 N ATOM 927 CA MET A 61 -22.214 31.061 -9.478 1.00 0.00 C ATOM 928 C MET A 61 -22.372 31.647 -10.889 1.00 0.00 C ATOM 929 O MET A 61 -21.528 31.431 -11.761 1.00 0.00 O ATOM 930 CB MET A 61 -21.406 31.975 -8.542 1.00 0.00 C ATOM 931 CG MET A 61 -22.098 33.305 -8.209 1.00 0.00 C ATOM 932 SD MET A 61 -23.775 33.198 -7.520 1.00 0.00 S ATOM 933 CE MET A 61 -23.409 32.516 -5.879 1.00 0.00 C ATOM 0 H MET A 61 -20.593 29.806 -9.830 1.00 0.00 H new ATOM 0 HA MET A 61 -23.226 30.967 -9.083 1.00 0.00 H new ATOM 0 HB2 MET A 61 -21.206 31.440 -7.614 1.00 0.00 H new ATOM 0 HB3 MET A 61 -20.441 32.186 -9.003 1.00 0.00 H new ATOM 0 HG2 MET A 61 -21.472 33.847 -7.500 1.00 0.00 H new ATOM 0 HG3 MET A 61 -22.141 33.904 -9.119 1.00 0.00 H new ATOM 0 HE1 MET A 61 -24.338 32.388 -5.323 1.00 0.00 H new ATOM 0 HE2 MET A 61 -22.915 31.550 -5.988 1.00 0.00 H new ATOM 0 HE3 MET A 61 -22.754 33.199 -5.339 1.00 0.00 H new ATOM 943 N GLU A 62 -23.439 32.411 -11.121 1.00 0.00 N ATOM 944 CA GLU A 62 -23.662 33.136 -12.376 1.00 0.00 C ATOM 945 C GLU A 62 -22.624 34.259 -12.535 1.00 0.00 C ATOM 946 O GLU A 62 -22.625 35.243 -11.789 1.00 0.00 O ATOM 947 CB GLU A 62 -25.107 33.652 -12.446 1.00 0.00 C ATOM 948 CG GLU A 62 -25.427 34.252 -13.823 1.00 0.00 C ATOM 949 CD GLU A 62 -26.906 34.678 -13.907 1.00 0.00 C ATOM 950 OE1 GLU A 62 -27.769 33.828 -14.233 1.00 0.00 O ATOM 951 OE2 GLU A 62 -27.217 35.867 -13.650 1.00 0.00 O ATOM 0 H GLU A 62 -24.183 32.547 -10.436 1.00 0.00 H new ATOM 0 HA GLU A 62 -23.527 32.456 -13.217 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -25.796 32.834 -12.236 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -25.262 34.406 -11.675 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -24.785 35.114 -14.007 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -25.210 33.521 -14.602 1.00 0.00 H new ATOM 958 N GLY A 63 -21.707 34.084 -13.485 1.00 0.00 N ATOM 959 CA GLY A 63 -20.687 35.064 -13.836 1.00 0.00 C ATOM 960 C GLY A 63 -21.178 36.091 -14.859 1.00 0.00 C ATOM 961 O GLY A 63 -21.978 35.763 -15.735 1.00 0.00 O ATOM 0 H GLY A 63 -21.654 33.233 -14.045 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -20.363 35.583 -12.934 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -19.815 34.547 -14.237 1.00 0.00 H new ATOM 965 N THR A 64 -20.656 37.319 -14.807 1.00 0.00 N ATOM 966 CA THR A 64 -20.946 38.380 -15.791 1.00 0.00 C ATOM 967 C THR A 64 -19.745 38.673 -16.688 1.00 0.00 C ATOM 968 O THR A 64 -18.612 38.721 -16.211 1.00 0.00 O ATOM 969 CB THR A 64 -21.420 39.672 -15.106 1.00 0.00 C ATOM 970 OG1 THR A 64 -22.557 39.415 -14.307 1.00 0.00 O ATOM 971 CG2 THR A 64 -21.813 40.772 -16.098 1.00 0.00 C ATOM 0 H THR A 64 -20.011 37.614 -14.074 1.00 0.00 H new ATOM 0 HA THR A 64 -21.754 38.005 -16.420 1.00 0.00 H new ATOM 0 HB THR A 64 -20.573 40.015 -14.512 1.00 0.00 H new ATOM 0 HG1 THR A 64 -22.848 40.245 -13.875 1.00 0.00 H new ATOM 0 HG21 THR A 64 -22.138 41.657 -15.550 1.00 0.00 H new ATOM 0 HG22 THR A 64 -20.954 41.025 -16.720 1.00 0.00 H new ATOM 0 HG23 THR A 64 -22.627 40.418 -16.731 1.00 0.00 H new ATOM 979 N LEU A 65 -20.001 38.853 -17.986 1.00 0.00 N ATOM 980 CA LEU A 65 -19.006 38.961 -19.058 1.00 0.00 C ATOM 981 C LEU A 65 -18.052 40.152 -18.835 1.00 0.00 C ATOM 982 O LEU A 65 -18.492 41.303 -18.754 1.00 0.00 O ATOM 983 CB LEU A 65 -19.804 39.059 -20.377 1.00 0.00 C ATOM 984 CG LEU A 65 -19.078 38.928 -21.731 1.00 0.00 C ATOM 985 CD1 LEU A 65 -20.073 39.305 -22.834 1.00 0.00 C ATOM 986 CD2 LEU A 65 -17.843 39.805 -21.931 1.00 0.00 C ATOM 0 H LEU A 65 -20.956 38.931 -18.336 1.00 0.00 H new ATOM 0 HA LEU A 65 -18.349 38.092 -19.083 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -20.575 38.289 -20.347 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -20.315 40.022 -20.375 1.00 0.00 H new ATOM 0 HG LEU A 65 -18.723 37.898 -21.762 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -19.587 39.222 -23.806 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -20.929 38.631 -22.797 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -20.411 40.330 -22.684 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -17.423 39.622 -22.920 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -18.124 40.855 -21.845 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -17.100 39.565 -21.171 1.00 0.00 H new ATOM 998 N ILE A 66 -16.746 39.872 -18.778 1.00 0.00 N ATOM 999 CA ILE A 66 -15.652 40.857 -18.793 1.00 0.00 C ATOM 1000 C ILE A 66 -14.638 40.549 -19.908 1.00 0.00 C ATOM 1001 O ILE A 66 -14.484 39.406 -20.343 1.00 0.00 O ATOM 1002 CB ILE A 66 -14.952 40.998 -17.418 1.00 0.00 C ATOM 1003 CG1 ILE A 66 -14.168 39.749 -16.949 1.00 0.00 C ATOM 1004 CG2 ILE A 66 -15.937 41.497 -16.344 1.00 0.00 C ATOM 1005 CD1 ILE A 66 -15.011 38.594 -16.432 1.00 0.00 C ATOM 0 H ILE A 66 -16.405 38.913 -18.718 1.00 0.00 H new ATOM 0 HA ILE A 66 -16.109 41.823 -19.008 1.00 0.00 H new ATOM 0 HB ILE A 66 -14.182 41.755 -17.567 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -13.564 39.389 -17.782 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -13.478 40.051 -16.161 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -15.419 41.587 -15.389 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -16.331 42.470 -16.636 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -16.759 40.787 -16.246 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -14.359 37.774 -16.131 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -15.596 38.926 -15.574 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -15.683 38.253 -17.219 1.00 0.00 H new ATOM 1017 N GLU A 67 -13.924 41.577 -20.369 1.00 0.00 N ATOM 1018 CA GLU A 67 -12.927 41.475 -21.445 1.00 0.00 C ATOM 1019 C GLU A 67 -11.623 40.794 -20.971 1.00 0.00 C ATOM 1020 O GLU A 67 -10.720 41.431 -20.425 1.00 0.00 O ATOM 1021 CB GLU A 67 -12.692 42.864 -22.081 1.00 0.00 C ATOM 1022 CG GLU A 67 -12.520 44.028 -21.084 1.00 0.00 C ATOM 1023 CD GLU A 67 -12.140 45.341 -21.789 1.00 0.00 C ATOM 1024 OE1 GLU A 67 -12.984 45.930 -22.508 1.00 0.00 O ATOM 1025 OE2 GLU A 67 -11.005 45.837 -21.594 1.00 0.00 O ATOM 0 H GLU A 67 -14.022 42.523 -20.001 1.00 0.00 H new ATOM 0 HA GLU A 67 -13.321 40.821 -22.223 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -11.803 42.811 -22.709 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -13.532 43.091 -22.737 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -13.448 44.170 -20.529 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -11.750 43.771 -20.357 1.00 0.00 H new ATOM 1032 N GLY A 68 -11.510 39.481 -21.209 1.00 0.00 N ATOM 1033 CA GLY A 68 -10.304 38.691 -20.913 1.00 0.00 C ATOM 1034 C GLY A 68 -9.195 38.831 -21.968 1.00 0.00 C ATOM 1035 O GLY A 68 -8.010 38.742 -21.643 1.00 0.00 O ATOM 0 H GLY A 68 -12.263 38.928 -21.618 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -9.910 38.996 -19.943 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -10.581 37.640 -20.828 1.00 0.00 H new ATOM 1039 N ASP A 69 -9.575 39.073 -23.225 1.00 0.00 N ATOM 1040 CA ASP A 69 -8.710 39.316 -24.380 1.00 0.00 C ATOM 1041 C ASP A 69 -9.523 40.033 -25.475 1.00 0.00 C ATOM 1042 O ASP A 69 -10.712 39.755 -25.657 1.00 0.00 O ATOM 1043 CB ASP A 69 -8.159 37.982 -24.913 1.00 0.00 C ATOM 1044 CG ASP A 69 -7.221 38.185 -26.113 1.00 0.00 C ATOM 1045 OD1 ASP A 69 -6.181 38.868 -25.954 1.00 0.00 O ATOM 1046 OD2 ASP A 69 -7.520 37.666 -27.215 1.00 0.00 O ATOM 0 H ASP A 69 -10.562 39.106 -23.479 1.00 0.00 H new ATOM 0 HA ASP A 69 -7.869 39.943 -24.084 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -7.622 37.467 -24.116 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -8.988 37.338 -25.206 1.00 0.00 H new ATOM 1051 N LEU A 70 -8.883 40.949 -26.203 1.00 0.00 N ATOM 1052 CA LEU A 70 -9.462 41.685 -27.335 1.00 0.00 C ATOM 1053 C LEU A 70 -8.724 41.353 -28.648 1.00 0.00 C ATOM 1054 O LEU A 70 -7.501 41.529 -28.703 1.00 0.00 O ATOM 1055 CB LEU A 70 -9.399 43.208 -27.105 1.00 0.00 C ATOM 1056 CG LEU A 70 -10.214 43.871 -25.982 1.00 0.00 C ATOM 1057 CD1 LEU A 70 -11.684 43.468 -26.020 1.00 0.00 C ATOM 1058 CD2 LEU A 70 -9.626 43.629 -24.594 1.00 0.00 C ATOM 0 H LEU A 70 -7.915 41.210 -26.017 1.00 0.00 H new ATOM 0 HA LEU A 70 -10.504 41.375 -27.413 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -8.353 43.463 -26.934 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -9.695 43.685 -28.039 1.00 0.00 H new ATOM 0 HG LEU A 70 -10.153 44.942 -26.175 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -12.218 43.962 -25.208 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -12.119 43.767 -26.974 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -11.768 42.387 -25.905 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -10.246 44.122 -23.845 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -9.597 42.558 -24.393 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -8.615 44.034 -24.552 1.00 0.00 H new ATOM 1070 N PRO A 71 -9.430 40.980 -29.735 1.00 0.00 N ATOM 1071 CA PRO A 71 -8.842 40.957 -31.075 1.00 0.00 C ATOM 1072 C PRO A 71 -8.693 42.378 -31.653 1.00 0.00 C ATOM 1073 O PRO A 71 -7.714 42.667 -32.342 1.00 0.00 O ATOM 1074 CB PRO A 71 -9.792 40.087 -31.906 1.00 0.00 C ATOM 1075 CG PRO A 71 -11.156 40.309 -31.252 1.00 0.00 C ATOM 1076 CD PRO A 71 -10.818 40.533 -29.776 1.00 0.00 C ATOM 0 HA PRO A 71 -7.830 40.552 -31.073 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -9.797 40.388 -32.954 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -9.501 39.037 -31.878 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -11.670 41.169 -31.680 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -11.810 39.447 -31.387 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -11.479 41.279 -29.335 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -10.947 39.614 -29.204 1.00 0.00 H new ATOM 1084 N GLU A 72 -9.644 43.275 -31.354 1.00 0.00 N ATOM 1085 CA GLU A 72 -9.717 44.660 -31.841 1.00 0.00 C ATOM 1086 C GLU A 72 -10.210 45.634 -30.739 1.00 0.00 C ATOM 1087 O GLU A 72 -11.390 46.004 -30.722 1.00 0.00 O ATOM 1088 CB GLU A 72 -10.634 44.727 -33.084 1.00 0.00 C ATOM 1089 CG GLU A 72 -10.169 43.834 -34.241 1.00 0.00 C ATOM 1090 CD GLU A 72 -10.914 44.178 -35.545 1.00 0.00 C ATOM 1091 OE1 GLU A 72 -12.008 43.613 -35.796 1.00 0.00 O ATOM 1092 OE2 GLU A 72 -10.410 45.012 -36.338 1.00 0.00 O ATOM 0 H GLU A 72 -10.421 43.043 -30.736 1.00 0.00 H new ATOM 0 HA GLU A 72 -8.712 44.976 -32.119 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -11.644 44.436 -32.796 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -10.686 45.759 -33.431 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -9.096 43.956 -34.389 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -10.339 42.788 -33.987 1.00 0.00 H new ATOM 1099 N PRO A 73 -9.338 46.066 -29.804 1.00 0.00 N ATOM 1100 CA PRO A 73 -9.616 47.157 -28.864 1.00 0.00 C ATOM 1101 C PRO A 73 -10.222 48.420 -29.501 1.00 0.00 C ATOM 1102 O PRO A 73 -9.794 48.868 -30.569 1.00 0.00 O ATOM 1103 CB PRO A 73 -8.266 47.491 -28.221 1.00 0.00 C ATOM 1104 CG PRO A 73 -7.532 46.155 -28.233 1.00 0.00 C ATOM 1105 CD PRO A 73 -8.047 45.463 -29.497 1.00 0.00 C ATOM 0 HA PRO A 73 -10.374 46.827 -28.153 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -7.728 48.251 -28.787 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -8.387 47.875 -27.208 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -6.451 46.293 -28.265 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -7.752 45.570 -27.340 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -7.350 45.598 -30.324 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -8.149 44.390 -29.337 1.00 0.00 H new ATOM 1113 N LYS A 74 -11.178 49.035 -28.792 1.00 0.00 N ATOM 1114 CA LYS A 74 -11.899 50.267 -29.185 1.00 0.00 C ATOM 1115 C LYS A 74 -11.727 51.408 -28.160 1.00 0.00 C ATOM 1116 O LYS A 74 -12.560 52.310 -28.066 1.00 0.00 O ATOM 1117 CB LYS A 74 -13.370 49.907 -29.495 1.00 0.00 C ATOM 1118 CG LYS A 74 -14.087 50.938 -30.387 1.00 0.00 C ATOM 1119 CD LYS A 74 -15.552 50.540 -30.618 1.00 0.00 C ATOM 1120 CE LYS A 74 -16.350 51.629 -31.351 1.00 0.00 C ATOM 1121 NZ LYS A 74 -16.559 52.839 -30.508 1.00 0.00 N ATOM 0 H LYS A 74 -11.488 48.677 -27.889 1.00 0.00 H new ATOM 0 HA LYS A 74 -11.458 50.674 -30.095 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -13.401 48.933 -29.984 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -13.916 49.810 -28.557 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -14.043 51.922 -29.920 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -13.572 51.016 -31.345 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -15.587 49.617 -31.197 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -16.024 50.332 -29.658 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -15.824 51.911 -32.263 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -17.317 51.227 -31.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -17.399 53.354 -30.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -16.699 52.552 -29.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -15.725 53.457 -30.575 1.00 0.00 H new ATOM 1135 N LYS A 75 -10.650 51.378 -27.365 1.00 0.00 N ATOM 1136 CA LYS A 75 -10.390 52.338 -26.271 1.00 0.00 C ATOM 1137 C LYS A 75 -10.313 53.771 -26.820 1.00 0.00 C ATOM 1138 O LYS A 75 -9.421 54.084 -27.607 1.00 0.00 O ATOM 1139 CB LYS A 75 -9.108 51.960 -25.500 1.00 0.00 C ATOM 1140 CG LYS A 75 -9.080 50.520 -24.954 1.00 0.00 C ATOM 1141 CD LYS A 75 -10.064 50.290 -23.798 1.00 0.00 C ATOM 1142 CE LYS A 75 -9.952 48.838 -23.315 1.00 0.00 C ATOM 1143 NZ LYS A 75 -10.931 48.536 -22.244 1.00 0.00 N ATOM 0 H LYS A 75 -9.918 50.675 -27.461 1.00 0.00 H new ATOM 0 HA LYS A 75 -11.221 52.293 -25.567 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -8.251 52.100 -26.159 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -8.986 52.652 -24.666 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -9.312 49.827 -25.763 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -8.071 50.287 -24.615 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -9.846 50.975 -22.979 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -11.082 50.498 -24.126 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -10.113 48.162 -24.155 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -8.943 48.654 -22.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -10.757 47.580 -21.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -10.829 49.229 -21.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -11.895 48.588 -22.630 1.00 0.00 H new ATOM 1157 N VAL A 76 -11.285 54.608 -26.437 1.00 0.00 N ATOM 1158 CA VAL A 76 -11.546 55.974 -26.940 1.00 0.00 C ATOM 1159 C VAL A 76 -11.546 56.132 -28.478 1.00 0.00 C ATOM 1160 O VAL A 76 -11.224 57.202 -29.001 1.00 0.00 O ATOM 1161 CB VAL A 76 -10.733 57.053 -26.184 1.00 0.00 C ATOM 1162 CG1 VAL A 76 -11.012 57.001 -24.675 1.00 0.00 C ATOM 1163 CG2 VAL A 76 -9.214 56.989 -26.389 1.00 0.00 C ATOM 0 H VAL A 76 -11.958 54.337 -25.720 1.00 0.00 H new ATOM 0 HA VAL A 76 -12.591 56.159 -26.692 1.00 0.00 H new ATOM 0 HB VAL A 76 -11.077 57.990 -26.622 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -10.427 57.770 -24.170 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -12.073 57.175 -24.495 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -10.734 56.021 -24.287 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -8.736 57.785 -25.819 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -8.841 56.024 -26.047 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -8.984 57.113 -27.447 1.00 0.00 H new ATOM 1173 N LYS A 77 -11.929 55.077 -29.218 1.00 0.00 N ATOM 1174 CA LYS A 77 -11.994 55.045 -30.696 1.00 0.00 C ATOM 1175 C LYS A 77 -13.435 55.197 -31.226 1.00 0.00 C ATOM 1176 O LYS A 77 -14.365 54.674 -30.601 1.00 0.00 O ATOM 1177 CB LYS A 77 -11.338 53.756 -31.228 1.00 0.00 C ATOM 1178 CG LYS A 77 -9.802 53.817 -31.168 1.00 0.00 C ATOM 1179 CD LYS A 77 -9.128 52.444 -31.326 1.00 0.00 C ATOM 1180 CE LYS A 77 -9.462 51.765 -32.662 1.00 0.00 C ATOM 1181 NZ LYS A 77 -8.826 50.425 -32.762 1.00 0.00 N ATOM 0 H LYS A 77 -12.211 54.193 -28.794 1.00 0.00 H new ATOM 0 HA LYS A 77 -11.437 55.905 -31.068 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -11.689 52.905 -30.645 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -11.653 53.589 -32.258 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -9.442 54.482 -31.952 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -9.500 54.254 -30.216 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -8.048 52.564 -31.245 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -9.439 51.796 -30.507 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -10.543 51.665 -32.761 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -9.123 52.393 -33.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -9.084 49.985 -33.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -7.792 50.526 -32.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -9.156 49.825 -31.979 1.00 0.00 H new ATOM 1195 N PRO A 78 -13.642 55.864 -32.381 1.00 0.00 N ATOM 1196 CA PRO A 78 -14.965 56.063 -32.988 1.00 0.00 C ATOM 1197 C PRO A 78 -15.560 54.767 -33.586 1.00 0.00 C ATOM 1198 O PRO A 78 -14.846 53.768 -33.725 1.00 0.00 O ATOM 1199 CB PRO A 78 -14.743 57.137 -34.061 1.00 0.00 C ATOM 1200 CG PRO A 78 -13.306 56.885 -34.510 1.00 0.00 C ATOM 1201 CD PRO A 78 -12.618 56.497 -33.203 1.00 0.00 C ATOM 0 HA PRO A 78 -15.698 56.367 -32.241 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -15.447 57.034 -34.886 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -14.869 58.142 -33.658 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -13.246 56.089 -35.253 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -12.858 57.773 -34.957 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -11.788 55.814 -33.387 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -12.205 57.374 -32.705 1.00 0.00 H new ATOM 1209 N PRO A 79 -16.856 54.753 -33.972 1.00 0.00 N ATOM 1210 CA PRO A 79 -17.508 53.586 -34.586 1.00 0.00 C ATOM 1211 C PRO A 79 -16.926 53.165 -35.950 1.00 0.00 C ATOM 1212 O PRO A 79 -17.030 51.991 -36.322 1.00 0.00 O ATOM 1213 CB PRO A 79 -18.986 53.973 -34.732 1.00 0.00 C ATOM 1214 CG PRO A 79 -19.189 55.058 -33.678 1.00 0.00 C ATOM 1215 CD PRO A 79 -17.849 55.787 -33.703 1.00 0.00 C ATOM 0 HA PRO A 79 -17.348 52.715 -33.951 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -19.205 54.343 -35.734 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -19.641 53.120 -34.558 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -20.017 55.720 -33.930 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -19.405 54.637 -32.696 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -17.834 56.557 -34.474 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -17.653 56.283 -32.753 1.00 0.00 H new ATOM 1223 N ARG A 80 -16.327 54.107 -36.693 1.00 0.00 N ATOM 1224 CA ARG A 80 -15.704 53.915 -38.017 1.00 0.00 C ATOM 1225 C ARG A 80 -14.491 54.837 -38.202 1.00 0.00 C ATOM 1226 O ARG A 80 -14.627 56.060 -37.973 1.00 0.00 O ATOM 1227 CB ARG A 80 -16.771 54.130 -39.109 1.00 0.00 C ATOM 1228 CG ARG A 80 -16.254 53.794 -40.519 1.00 0.00 C ATOM 1229 CD ARG A 80 -17.338 53.973 -41.592 1.00 0.00 C ATOM 1230 NE ARG A 80 -18.435 52.995 -41.451 1.00 0.00 N ATOM 1231 CZ ARG A 80 -19.581 52.996 -42.107 1.00 0.00 C ATOM 1232 NH1 ARG A 80 -19.869 53.896 -43.003 1.00 0.00 N ATOM 1233 NH2 ARG A 80 -20.472 52.079 -41.871 1.00 0.00 N ATOM 1234 OXT ARG A 80 -13.408 54.324 -38.562 1.00 0.00 O ATOM 0 H ARG A 80 -16.259 55.073 -36.373 1.00 0.00 H new ATOM 0 HA ARG A 80 -15.325 52.896 -38.097 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -17.641 53.511 -38.888 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -17.104 55.168 -39.086 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -15.403 54.434 -40.754 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -15.894 52.765 -40.537 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -17.744 54.982 -41.529 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -16.888 53.871 -42.580 1.00 0.00 H new ATOM 0 HE ARG A 80 -18.293 52.242 -40.778 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -19.198 54.634 -43.219 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -20.765 53.863 -43.489 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -20.287 51.355 -41.177 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -21.356 52.084 -42.380 1.00 0.00 H new TER 1248 ARG A 80