USER MOD reduce.3.24.130724 H: found=0, std=0, add=904, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 904 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 ASP N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 89:sc= -2.33! USER MOD Single : A 8 MET CE :methyl -173:sc= -0.535 (180deg=-0.803) USER MOD Single : A 9 GLN : amide:sc= 0.694 K(o=0.69,f=-2.1) USER MOD Single : A 13 MET CE :methyl -110:sc= -0.197 (180deg=-0.851) USER MOD Single : A 20 CYS SG : rot -90:sc= -2.07 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 10:sc= -0.422 USER MOD Single : A 29 ASN : amide:sc= -0.48 X(o=-0.48,f=-0.2) USER MOD Single : A 30 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= 1.18 K(o=1.2,f=-0.14) USER MOD Single : A 42 HIS : no HE2:sc= 1.14 K(o=1.1,f=-4.4!) USER MOD Single : A 43 MET CE :methyl -156:sc= 0 (180deg=-0.0461) USER MOD Single : A 53 THR OG1 : rot -59:sc= 0.592 USER MOD Single : A 54 MET CE :methyl 161:sc= -0.193 (180deg=-0.78) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 38:sc= 0.202 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= -0.159 K(o=-0.16,f=-1.2) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 THR OG1 : rot 58:sc= 0.408 USER MOD Single : A 87 SER OG : rot 73:sc= 1.24 USER MOD Single : A 88 MET CE :methyl -115:sc= -1.03 (180deg=-3.32!) USER MOD Single : A 91 GLN : amide:sc= -1.21 K(o=-1.2,f=0) USER MOD Single : A 93 ASN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 94 GLN : amide:sc= -0.923 K(o=-0.92,f=-5.6!) USER MOD Single : A 97 GLN : amide:sc= -0.0201 K(o=-0.02,f=-1) USER MOD Single : A 102 THR OG1 : rot 143:sc= -1.12! USER MOD Single : A 103 ASN : amide:sc= -1.78! K(o=-1.8!,f=-0.15) USER MOD Single : A 104 ASN : amide:sc= -1.79 K(o=-1.8,f=-3.5) USER MOD Single : A 105 ASN : amide:sc= 0.773 K(o=0.77,f=-7.1!) USER MOD Single : A 115 SER OG : rot -45:sc= 0.0135 USER MOD Single : A 116 HIS : no HE2:sc= 0.606 K(o=0.61,f=-5.1!) USER MOD Single : A 123 SER OG : rot 44:sc= 0.175 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -38.984 14.233 1.696 1.00 6.24 N ATOM 2 CA ASP A 1 -39.839 13.394 2.565 1.00 6.09 C ATOM 3 C ASP A 1 -39.297 11.978 2.626 1.00 5.57 C ATOM 4 O ASP A 1 -38.905 11.493 3.687 1.00 5.48 O ATOM 5 CB ASP A 1 -41.276 13.371 2.045 1.00 6.38 C ATOM 6 CG ASP A 1 -42.194 12.618 2.980 1.00 6.83 C ATOM 7 OD1 ASP A 1 -42.633 13.200 3.991 1.00 7.16 O ATOM 8 OD2 ASP A 1 -42.479 11.434 2.704 1.00 7.06 O ATOM 0 H1 ASP A 1 -39.366 15.200 1.663 1.00 6.24 H new ATOM 0 H2 ASP A 1 -38.017 14.256 2.078 1.00 6.24 H new ATOM 0 H3 ASP A 1 -38.968 13.834 0.736 1.00 6.24 H new ATOM 0 HA ASP A 1 -39.833 13.824 3.566 1.00 6.09 H new ATOM 0 HB2 ASP A 1 -41.636 14.393 1.925 1.00 6.38 H new ATOM 0 HB3 ASP A 1 -41.299 12.907 1.059 1.00 6.38 H new ATOM 15 N ILE A 2 -39.274 11.320 1.474 1.00 5.46 N ATOM 16 CA ILE A 2 -38.729 9.986 1.359 1.00 4.94 C ATOM 17 C ILE A 2 -37.227 10.011 1.621 1.00 4.60 C ATOM 18 O ILE A 2 -36.484 10.738 0.960 1.00 4.72 O ATOM 19 CB ILE A 2 -39.027 9.383 -0.042 1.00 4.98 C ATOM 20 CG1 ILE A 2 -40.465 8.857 -0.116 1.00 5.40 C ATOM 21 CG2 ILE A 2 -38.047 8.275 -0.394 1.00 4.52 C ATOM 22 CD1 ILE A 2 -41.524 9.937 -0.170 1.00 5.69 C ATOM 0 H ILE A 2 -39.633 11.701 0.599 1.00 5.46 H new ATOM 0 HA ILE A 2 -39.207 9.353 2.106 1.00 4.94 H new ATOM 0 HB ILE A 2 -38.908 10.185 -0.771 1.00 4.98 H new ATOM 0 HG12 ILE A 2 -40.563 8.225 -0.999 1.00 5.40 H new ATOM 0 HG13 ILE A 2 -40.653 8.224 0.752 1.00 5.40 H new ATOM 0 HG21 ILE A 2 -38.286 7.877 -1.380 1.00 4.52 H new ATOM 0 HG22 ILE A 2 -37.033 8.675 -0.400 1.00 4.52 H new ATOM 0 HG23 ILE A 2 -38.118 7.478 0.346 1.00 4.52 H new ATOM 0 HD11 ILE A 2 -42.511 9.477 -0.221 1.00 5.69 H new ATOM 0 HD12 ILE A 2 -41.458 10.556 0.725 1.00 5.69 H new ATOM 0 HD13 ILE A 2 -41.367 10.557 -1.053 1.00 5.69 H new ATOM 34 N ASP A 3 -36.796 9.245 2.614 1.00 4.29 N ATOM 35 CA ASP A 3 -35.382 9.118 2.931 1.00 4.07 C ATOM 36 C ASP A 3 -34.664 8.340 1.841 1.00 3.76 C ATOM 37 O ASP A 3 -34.440 7.136 1.962 1.00 3.50 O ATOM 38 CB ASP A 3 -35.178 8.423 4.278 1.00 3.99 C ATOM 39 CG ASP A 3 -35.605 9.274 5.451 1.00 4.25 C ATOM 40 OD1 ASP A 3 -34.871 10.220 5.805 1.00 4.60 O ATOM 41 OD2 ASP A 3 -36.686 9.007 6.017 1.00 4.39 O ATOM 0 H ASP A 3 -37.411 8.699 3.217 1.00 4.29 H new ATOM 0 HA ASP A 3 -34.964 10.123 2.993 1.00 4.07 H new ATOM 0 HB2 ASP A 3 -35.742 7.490 4.289 1.00 3.99 H new ATOM 0 HB3 ASP A 3 -34.126 8.161 4.390 1.00 3.99 H new ATOM 46 N GLU A 4 -34.319 9.029 0.767 1.00 3.88 N ATOM 47 CA GLU A 4 -33.586 8.422 -0.329 1.00 3.72 C ATOM 48 C GLU A 4 -32.151 8.132 0.071 1.00 3.64 C ATOM 49 O GLU A 4 -31.429 7.425 -0.631 1.00 3.58 O ATOM 50 CB GLU A 4 -33.625 9.319 -1.557 1.00 4.04 C ATOM 51 CG GLU A 4 -35.027 9.506 -2.092 1.00 4.23 C ATOM 52 CD GLU A 4 -35.038 10.238 -3.413 1.00 4.68 C ATOM 53 OE1 GLU A 4 -35.030 11.482 -3.406 1.00 5.13 O ATOM 54 OE2 GLU A 4 -35.048 9.572 -4.468 1.00 4.67 O ATOM 0 H GLU A 4 -34.537 10.016 0.631 1.00 3.88 H new ATOM 0 HA GLU A 4 -34.067 7.475 -0.574 1.00 3.72 H new ATOM 0 HB2 GLU A 4 -33.202 10.292 -1.306 1.00 4.04 H new ATOM 0 HB3 GLU A 4 -32.996 8.890 -2.337 1.00 4.04 H new ATOM 0 HG2 GLU A 4 -35.501 8.532 -2.214 1.00 4.23 H new ATOM 0 HG3 GLU A 4 -35.621 10.061 -1.366 1.00 4.23 H new ATOM 61 N SER A 5 -31.737 8.674 1.202 1.00 3.76 N ATOM 62 CA SER A 5 -30.451 8.332 1.769 1.00 3.85 C ATOM 63 C SER A 5 -30.420 6.833 2.065 1.00 3.61 C ATOM 64 O SER A 5 -29.371 6.201 2.012 1.00 3.72 O ATOM 65 CB SER A 5 -30.204 9.146 3.041 1.00 4.10 C ATOM 66 OG SER A 5 -28.832 9.134 3.403 1.00 4.17 O ATOM 0 H SER A 5 -32.274 9.352 1.743 1.00 3.76 H new ATOM 0 HA SER A 5 -29.658 8.570 1.060 1.00 3.85 H new ATOM 0 HB2 SER A 5 -30.533 10.174 2.887 1.00 4.10 H new ATOM 0 HB3 SER A 5 -30.801 8.739 3.857 1.00 4.10 H new ATOM 0 HG SER A 5 -28.704 9.663 4.218 1.00 4.17 H new ATOM 72 N SER A 6 -31.597 6.268 2.334 1.00 3.37 N ATOM 73 CA SER A 6 -31.729 4.845 2.605 1.00 3.21 C ATOM 74 C SER A 6 -31.469 4.024 1.344 1.00 3.07 C ATOM 75 O SER A 6 -30.673 3.089 1.355 1.00 3.14 O ATOM 76 CB SER A 6 -33.132 4.544 3.128 1.00 3.12 C ATOM 77 OG SER A 6 -33.567 5.557 4.018 1.00 3.42 O ATOM 0 H SER A 6 -32.477 6.783 2.369 1.00 3.37 H new ATOM 0 HA SER A 6 -30.990 4.571 3.358 1.00 3.21 H new ATOM 0 HB2 SER A 6 -33.827 4.465 2.292 1.00 3.12 H new ATOM 0 HB3 SER A 6 -33.136 3.580 3.637 1.00 3.12 H new ATOM 0 HG SER A 6 -34.021 6.263 3.513 1.00 3.42 H new ATOM 83 N VAL A 7 -32.137 4.376 0.249 1.00 2.98 N ATOM 84 CA VAL A 7 -31.977 3.623 -0.987 1.00 2.91 C ATOM 85 C VAL A 7 -30.546 3.716 -1.495 1.00 3.12 C ATOM 86 O VAL A 7 -29.937 2.711 -1.864 1.00 3.14 O ATOM 87 CB VAL A 7 -32.961 4.060 -2.106 1.00 2.96 C ATOM 88 CG1 VAL A 7 -33.037 5.570 -2.254 1.00 3.24 C ATOM 89 CG2 VAL A 7 -32.552 3.430 -3.425 1.00 2.98 C ATOM 0 H VAL A 7 -32.783 5.164 0.193 1.00 2.98 H new ATOM 0 HA VAL A 7 -32.214 2.588 -0.739 1.00 2.91 H new ATOM 0 HB VAL A 7 -33.954 3.714 -1.820 1.00 2.96 H new ATOM 0 HG11 VAL A 7 -33.738 5.823 -3.049 1.00 3.24 H new ATOM 0 HG12 VAL A 7 -33.377 6.011 -1.317 1.00 3.24 H new ATOM 0 HG13 VAL A 7 -32.050 5.961 -2.502 1.00 3.24 H new ATOM 0 HG21 VAL A 7 -33.246 3.740 -4.207 1.00 2.98 H new ATOM 0 HG22 VAL A 7 -31.544 3.753 -3.685 1.00 2.98 H new ATOM 0 HG23 VAL A 7 -32.572 2.344 -3.331 1.00 2.98 H new ATOM 99 N MET A 8 -30.009 4.917 -1.493 1.00 3.37 N ATOM 100 CA MET A 8 -28.659 5.135 -1.973 1.00 3.71 C ATOM 101 C MET A 8 -27.620 4.514 -1.046 1.00 3.85 C ATOM 102 O MET A 8 -26.540 4.149 -1.498 1.00 4.12 O ATOM 103 CB MET A 8 -28.394 6.620 -2.201 1.00 4.00 C ATOM 104 CG MET A 8 -29.021 7.132 -3.488 1.00 4.07 C ATOM 105 SD MET A 8 -28.834 8.912 -3.716 1.00 4.46 S ATOM 106 CE MET A 8 -29.747 9.540 -2.309 1.00 5.17 C ATOM 0 H MET A 8 -30.485 5.757 -1.165 1.00 3.37 H new ATOM 0 HA MET A 8 -28.566 4.629 -2.934 1.00 3.71 H new ATOM 0 HB2 MET A 8 -28.786 7.189 -1.358 1.00 4.00 H new ATOM 0 HB3 MET A 8 -27.318 6.794 -2.230 1.00 4.00 H new ATOM 0 HG2 MET A 8 -28.569 6.615 -4.335 1.00 4.07 H new ATOM 0 HG3 MET A 8 -30.082 6.882 -3.491 1.00 4.07 H new ATOM 0 HE1 MET A 8 -29.827 10.625 -2.382 1.00 5.17 H new ATOM 0 HE2 MET A 8 -30.745 9.103 -2.299 1.00 5.17 H new ATOM 0 HE3 MET A 8 -29.225 9.275 -1.389 1.00 5.17 H new ATOM 116 N GLN A 9 -27.939 4.368 0.240 1.00 3.77 N ATOM 117 CA GLN A 9 -27.021 3.702 1.159 1.00 4.01 C ATOM 118 C GLN A 9 -26.940 2.211 0.822 1.00 3.96 C ATOM 119 O GLN A 9 -25.880 1.597 0.940 1.00 4.33 O ATOM 120 CB GLN A 9 -27.426 3.919 2.632 1.00 4.00 C ATOM 121 CG GLN A 9 -28.361 2.863 3.202 1.00 4.36 C ATOM 122 CD GLN A 9 -28.780 3.152 4.632 1.00 4.96 C ATOM 123 OE1 GLN A 9 -28.894 4.308 5.042 1.00 5.38 O ATOM 124 NE2 GLN A 9 -29.001 2.098 5.409 1.00 5.37 N ATOM 0 H GLN A 9 -28.808 4.695 0.661 1.00 3.77 H new ATOM 0 HA GLN A 9 -26.033 4.146 1.035 1.00 4.01 H new ATOM 0 HB2 GLN A 9 -26.523 3.950 3.241 1.00 4.00 H new ATOM 0 HB3 GLN A 9 -27.905 4.894 2.722 1.00 4.00 H new ATOM 0 HG2 GLN A 9 -29.250 2.796 2.575 1.00 4.36 H new ATOM 0 HG3 GLN A 9 -27.869 1.891 3.163 1.00 4.36 H new ATOM 0 HE21 GLN A 9 -28.896 1.156 5.032 1.00 5.37 H new ATOM 0 HE22 GLN A 9 -29.276 2.231 6.382 1.00 5.37 H new ATOM 133 N LEU A 10 -28.062 1.637 0.380 1.00 3.56 N ATOM 134 CA LEU A 10 -28.070 0.260 -0.114 1.00 3.52 C ATOM 135 C LEU A 10 -27.300 0.197 -1.420 1.00 3.65 C ATOM 136 O LEU A 10 -26.497 -0.705 -1.652 1.00 3.90 O ATOM 137 CB LEU A 10 -29.492 -0.240 -0.392 1.00 3.15 C ATOM 138 CG LEU A 10 -30.541 0.018 0.680 1.00 3.03 C ATOM 139 CD1 LEU A 10 -31.843 -0.644 0.285 1.00 2.85 C ATOM 140 CD2 LEU A 10 -30.084 -0.487 2.036 1.00 3.23 C ATOM 0 H LEU A 10 -28.970 2.101 0.354 1.00 3.56 H new ATOM 0 HA LEU A 10 -27.617 -0.366 0.655 1.00 3.52 H new ATOM 0 HB2 LEU A 10 -29.836 0.218 -1.319 1.00 3.15 H new ATOM 0 HB3 LEU A 10 -29.444 -1.315 -0.566 1.00 3.15 H new ATOM 0 HG LEU A 10 -30.690 1.095 0.762 1.00 3.03 H new ATOM 0 HD11 LEU A 10 -32.593 -0.458 1.054 1.00 2.85 H new ATOM 0 HD12 LEU A 10 -32.187 -0.233 -0.664 1.00 2.85 H new ATOM 0 HD13 LEU A 10 -31.688 -1.718 0.181 1.00 2.85 H new ATOM 0 HD21 LEU A 10 -30.857 -0.287 2.778 1.00 3.23 H new ATOM 0 HD22 LEU A 10 -29.902 -1.560 1.982 1.00 3.23 H new ATOM 0 HD23 LEU A 10 -29.164 0.023 2.323 1.00 3.23 H new ATOM 152 N ALA A 11 -27.558 1.185 -2.260 1.00 3.56 N ATOM 153 CA ALA A 11 -26.980 1.255 -3.593 1.00 3.74 C ATOM 154 C ALA A 11 -25.458 1.367 -3.538 1.00 4.22 C ATOM 155 O ALA A 11 -24.751 0.778 -4.354 1.00 4.46 O ATOM 156 CB ALA A 11 -27.583 2.433 -4.350 1.00 3.71 C ATOM 0 H ALA A 11 -28.177 1.965 -2.037 1.00 3.56 H new ATOM 0 HA ALA A 11 -27.216 0.331 -4.121 1.00 3.74 H new ATOM 0 HB1 ALA A 11 -27.149 2.484 -5.349 1.00 3.71 H new ATOM 0 HB2 ALA A 11 -28.662 2.300 -4.430 1.00 3.71 H new ATOM 0 HB3 ALA A 11 -27.370 3.358 -3.814 1.00 3.71 H new ATOM 162 N GLU A 12 -24.960 2.111 -2.556 1.00 4.41 N ATOM 163 CA GLU A 12 -23.521 2.293 -2.376 1.00 4.92 C ATOM 164 C GLU A 12 -22.813 0.993 -1.994 1.00 5.14 C ATOM 165 O GLU A 12 -21.614 0.848 -2.223 1.00 5.60 O ATOM 166 CB GLU A 12 -23.234 3.343 -1.304 1.00 5.13 C ATOM 167 CG GLU A 12 -23.606 4.759 -1.703 1.00 5.27 C ATOM 168 CD GLU A 12 -23.302 5.764 -0.614 1.00 5.79 C ATOM 169 OE1 GLU A 12 -24.047 5.811 0.388 1.00 5.95 O ATOM 170 OE2 GLU A 12 -22.314 6.514 -0.755 1.00 6.27 O ATOM 0 H GLU A 12 -25.533 2.600 -1.869 1.00 4.41 H new ATOM 0 HA GLU A 12 -23.133 2.627 -3.338 1.00 4.92 H new ATOM 0 HB2 GLU A 12 -23.778 3.078 -0.398 1.00 5.13 H new ATOM 0 HB3 GLU A 12 -22.172 3.314 -1.058 1.00 5.13 H new ATOM 0 HG2 GLU A 12 -23.064 5.033 -2.608 1.00 5.27 H new ATOM 0 HG3 GLU A 12 -24.668 4.798 -1.944 1.00 5.27 H new ATOM 177 N MET A 13 -23.544 0.050 -1.416 1.00 4.88 N ATOM 178 CA MET A 13 -22.920 -1.157 -0.890 1.00 5.14 C ATOM 179 C MET A 13 -23.401 -2.417 -1.606 1.00 4.89 C ATOM 180 O MET A 13 -22.908 -3.513 -1.337 1.00 5.03 O ATOM 181 CB MET A 13 -23.181 -1.282 0.613 1.00 5.20 C ATOM 182 CG MET A 13 -24.645 -1.503 0.959 1.00 4.86 C ATOM 183 SD MET A 13 -24.929 -1.724 2.727 1.00 5.10 S ATOM 184 CE MET A 13 -24.401 -0.133 3.362 1.00 5.16 C ATOM 0 H MET A 13 -24.556 0.095 -1.300 1.00 4.88 H new ATOM 0 HA MET A 13 -21.849 -1.065 -1.068 1.00 5.14 H new ATOM 0 HB2 MET A 13 -22.594 -2.111 1.008 1.00 5.20 H new ATOM 0 HB3 MET A 13 -22.831 -0.378 1.111 1.00 5.20 H new ATOM 0 HG2 MET A 13 -25.228 -0.652 0.607 1.00 4.86 H new ATOM 0 HG3 MET A 13 -25.010 -2.381 0.426 1.00 4.86 H new ATOM 0 HE1 MET A 13 -23.472 -0.254 3.919 1.00 5.16 H new ATOM 0 HE2 MET A 13 -24.239 0.555 2.532 1.00 5.16 H new ATOM 0 HE3 MET A 13 -25.170 0.269 4.022 1.00 5.16 H new ATOM 194 N GLY A 14 -24.348 -2.273 -2.524 1.00 4.62 N ATOM 195 CA GLY A 14 -24.909 -3.441 -3.174 1.00 4.51 C ATOM 196 C GLY A 14 -25.451 -3.163 -4.559 1.00 4.38 C ATOM 197 O GLY A 14 -24.698 -3.066 -5.525 1.00 4.75 O ATOM 0 H GLY A 14 -24.734 -1.379 -2.828 1.00 4.62 H new ATOM 0 HA2 GLY A 14 -24.142 -4.212 -3.241 1.00 4.51 H new ATOM 0 HA3 GLY A 14 -25.710 -3.842 -2.553 1.00 4.51 H new ATOM 201 N PHE A 15 -26.765 -3.036 -4.645 1.00 4.09 N ATOM 202 CA PHE A 15 -27.448 -2.923 -5.925 1.00 4.04 C ATOM 203 C PHE A 15 -28.299 -1.657 -5.954 1.00 3.73 C ATOM 204 O PHE A 15 -28.525 -1.037 -4.917 1.00 3.48 O ATOM 205 CB PHE A 15 -28.340 -4.153 -6.148 1.00 4.10 C ATOM 206 CG PHE A 15 -27.587 -5.451 -6.243 1.00 4.27 C ATOM 207 CD1 PHE A 15 -26.933 -5.803 -7.415 1.00 4.60 C ATOM 208 CD2 PHE A 15 -27.526 -6.315 -5.161 1.00 4.36 C ATOM 209 CE1 PHE A 15 -26.235 -6.991 -7.505 1.00 5.01 C ATOM 210 CE2 PHE A 15 -26.828 -7.506 -5.247 1.00 4.78 C ATOM 211 CZ PHE A 15 -26.205 -7.858 -6.420 1.00 5.09 C ATOM 0 H PHE A 15 -27.386 -3.008 -3.836 1.00 4.09 H new ATOM 0 HA PHE A 15 -26.704 -2.869 -6.720 1.00 4.04 H new ATOM 0 HB2 PHE A 15 -29.057 -4.221 -5.330 1.00 4.10 H new ATOM 0 HB3 PHE A 15 -28.914 -4.011 -7.064 1.00 4.10 H new ATOM 0 HD1 PHE A 15 -26.970 -5.140 -8.267 1.00 4.60 H new ATOM 0 HD2 PHE A 15 -28.029 -6.056 -4.241 1.00 4.36 H new ATOM 0 HE1 PHE A 15 -25.714 -7.245 -8.416 1.00 5.01 H new ATOM 0 HE2 PHE A 15 -26.773 -8.161 -4.390 1.00 4.78 H new ATOM 0 HZ PHE A 15 -25.693 -8.806 -6.498 1.00 5.09 H new ATOM 221 N PRO A 16 -28.757 -1.239 -7.146 1.00 3.83 N ATOM 222 CA PRO A 16 -29.668 -0.101 -7.283 1.00 3.69 C ATOM 223 C PRO A 16 -31.070 -0.441 -6.789 1.00 3.43 C ATOM 224 O PRO A 16 -31.949 -0.798 -7.578 1.00 3.52 O ATOM 225 CB PRO A 16 -29.681 0.159 -8.792 1.00 4.05 C ATOM 226 CG PRO A 16 -29.401 -1.172 -9.393 1.00 4.25 C ATOM 227 CD PRO A 16 -28.426 -1.835 -8.458 1.00 4.22 C ATOM 0 HA PRO A 16 -29.351 0.760 -6.694 1.00 3.69 H new ATOM 0 HB2 PRO A 16 -30.644 0.550 -9.121 1.00 4.05 H new ATOM 0 HB3 PRO A 16 -28.926 0.892 -9.077 1.00 4.05 H new ATOM 0 HG2 PRO A 16 -30.314 -1.759 -9.490 1.00 4.25 H new ATOM 0 HG3 PRO A 16 -28.980 -1.071 -10.393 1.00 4.25 H new ATOM 0 HD2 PRO A 16 -28.548 -2.918 -8.451 1.00 4.22 H new ATOM 0 HD3 PRO A 16 -27.394 -1.633 -8.743 1.00 4.22 H new ATOM 235 N LEU A 17 -31.278 -0.344 -5.481 1.00 3.19 N ATOM 236 CA LEU A 17 -32.571 -0.673 -4.898 1.00 3.02 C ATOM 237 C LEU A 17 -33.601 0.427 -5.145 1.00 3.04 C ATOM 238 O LEU A 17 -34.056 1.084 -4.216 1.00 2.93 O ATOM 239 CB LEU A 17 -32.469 -0.968 -3.385 1.00 2.86 C ATOM 240 CG LEU A 17 -32.040 -2.393 -3.010 1.00 2.99 C ATOM 241 CD1 LEU A 17 -32.890 -3.418 -3.746 1.00 3.21 C ATOM 242 CD2 LEU A 17 -30.566 -2.622 -3.292 1.00 3.29 C ATOM 0 H LEU A 17 -30.573 -0.042 -4.809 1.00 3.19 H new ATOM 0 HA LEU A 17 -32.907 -1.581 -5.399 1.00 3.02 H new ATOM 0 HB2 LEU A 17 -31.760 -0.267 -2.944 1.00 2.86 H new ATOM 0 HB3 LEU A 17 -33.439 -0.769 -2.929 1.00 2.86 H new ATOM 0 HG LEU A 17 -32.196 -2.515 -1.938 1.00 2.99 H new ATOM 0 HD11 LEU A 17 -32.571 -4.422 -3.467 1.00 3.21 H new ATOM 0 HD12 LEU A 17 -33.938 -3.282 -3.477 1.00 3.21 H new ATOM 0 HD13 LEU A 17 -32.771 -3.285 -4.821 1.00 3.21 H new ATOM 0 HD21 LEU A 17 -30.297 -3.641 -3.015 1.00 3.29 H new ATOM 0 HD22 LEU A 17 -30.371 -2.471 -4.354 1.00 3.29 H new ATOM 0 HD23 LEU A 17 -29.971 -1.918 -2.710 1.00 3.29 H new ATOM 254 N GLU A 18 -33.979 0.630 -6.400 1.00 3.30 N ATOM 255 CA GLU A 18 -35.107 1.490 -6.717 1.00 3.51 C ATOM 256 C GLU A 18 -36.352 0.988 -5.986 1.00 3.51 C ATOM 257 O GLU A 18 -37.276 1.744 -5.693 1.00 3.70 O ATOM 258 CB GLU A 18 -35.336 1.521 -8.220 1.00 3.90 C ATOM 259 CG GLU A 18 -35.727 2.890 -8.739 1.00 4.24 C ATOM 260 CD GLU A 18 -37.164 2.951 -9.196 1.00 4.90 C ATOM 261 OE1 GLU A 18 -37.478 2.389 -10.266 1.00 5.48 O ATOM 262 OE2 GLU A 18 -37.987 3.576 -8.503 1.00 5.09 O ATOM 0 H GLU A 18 -33.522 0.212 -7.211 1.00 3.30 H new ATOM 0 HA GLU A 18 -34.893 2.507 -6.387 1.00 3.51 H new ATOM 0 HB2 GLU A 18 -34.427 1.194 -8.726 1.00 3.90 H new ATOM 0 HB3 GLU A 18 -36.118 0.806 -8.476 1.00 3.90 H new ATOM 0 HG2 GLU A 18 -35.568 3.630 -7.955 1.00 4.24 H new ATOM 0 HG3 GLU A 18 -35.074 3.159 -9.569 1.00 4.24 H new ATOM 269 N ALA A 19 -36.351 -0.308 -5.689 1.00 3.41 N ATOM 270 CA ALA A 19 -37.367 -0.913 -4.844 1.00 3.49 C ATOM 271 C ALA A 19 -37.383 -0.248 -3.475 1.00 3.32 C ATOM 272 O ALA A 19 -38.419 -0.139 -2.839 1.00 3.54 O ATOM 273 CB ALA A 19 -37.106 -2.403 -4.695 1.00 3.45 C ATOM 0 H ALA A 19 -35.647 -0.964 -6.028 1.00 3.41 H new ATOM 0 HA ALA A 19 -38.340 -0.769 -5.314 1.00 3.49 H new ATOM 0 HB1 ALA A 19 -37.874 -2.845 -4.060 1.00 3.45 H new ATOM 0 HB2 ALA A 19 -37.130 -2.877 -5.676 1.00 3.45 H new ATOM 0 HB3 ALA A 19 -36.127 -2.557 -4.242 1.00 3.45 H new ATOM 279 N CYS A 20 -36.212 0.209 -3.050 1.00 3.03 N ATOM 280 CA CYS A 20 -36.052 0.898 -1.768 1.00 2.94 C ATOM 281 C CYS A 20 -36.642 2.289 -1.859 1.00 3.13 C ATOM 282 O CYS A 20 -37.221 2.787 -0.902 1.00 3.27 O ATOM 283 CB CYS A 20 -34.581 1.022 -1.365 1.00 2.73 C ATOM 284 SG CYS A 20 -34.341 1.544 0.348 1.00 2.75 S ATOM 0 H CYS A 20 -35.346 0.115 -3.580 1.00 3.03 H new ATOM 0 HA CYS A 20 -36.570 0.305 -1.015 1.00 2.94 H new ATOM 0 HB2 CYS A 20 -34.090 0.061 -1.515 1.00 2.73 H new ATOM 0 HB3 CYS A 20 -34.091 1.737 -2.026 1.00 2.73 H new ATOM 0 HG CYS A 20 -34.282 2.842 0.402 1.00 2.75 H new ATOM 290 N ARG A 21 -36.461 2.914 -3.012 1.00 3.24 N ATOM 291 CA ARG A 21 -37.088 4.202 -3.294 1.00 3.55 C ATOM 292 C ARG A 21 -38.583 4.107 -2.977 1.00 3.89 C ATOM 293 O ARG A 21 -39.136 4.891 -2.195 1.00 4.07 O ATOM 294 CB ARG A 21 -36.874 4.554 -4.772 1.00 3.75 C ATOM 295 CG ARG A 21 -36.541 6.010 -5.043 1.00 4.17 C ATOM 296 CD ARG A 21 -37.728 6.926 -4.789 1.00 4.74 C ATOM 297 NE ARG A 21 -37.358 8.336 -4.882 1.00 5.08 N ATOM 298 CZ ARG A 21 -38.211 9.316 -5.178 1.00 5.56 C ATOM 299 NH1 ARG A 21 -39.483 9.046 -5.444 1.00 5.80 N ATOM 300 NH2 ARG A 21 -37.792 10.573 -5.211 1.00 6.10 N ATOM 0 H ARG A 21 -35.884 2.552 -3.771 1.00 3.24 H new ATOM 0 HA ARG A 21 -36.643 4.983 -2.678 1.00 3.55 H new ATOM 0 HB2 ARG A 21 -36.068 3.934 -5.165 1.00 3.75 H new ATOM 0 HB3 ARG A 21 -37.776 4.294 -5.326 1.00 3.75 H new ATOM 0 HG2 ARG A 21 -35.707 6.314 -4.410 1.00 4.17 H new ATOM 0 HG3 ARG A 21 -36.214 6.120 -6.077 1.00 4.17 H new ATOM 0 HD2 ARG A 21 -38.515 6.709 -5.511 1.00 4.74 H new ATOM 0 HD3 ARG A 21 -38.138 6.723 -3.800 1.00 4.74 H new ATOM 0 HE ARG A 21 -36.384 8.586 -4.709 1.00 5.08 H new ATOM 0 HH11 ARG A 21 -39.815 8.082 -5.423 1.00 5.80 H new ATOM 0 HH12 ARG A 21 -40.129 9.803 -5.670 1.00 5.80 H new ATOM 0 HH21 ARG A 21 -36.816 10.791 -5.010 1.00 6.10 H new ATOM 0 HH22 ARG A 21 -38.446 11.323 -5.438 1.00 6.10 H new ATOM 314 N LYS A 22 -39.210 3.096 -3.557 1.00 4.03 N ATOM 315 CA LYS A 22 -40.617 2.812 -3.321 1.00 4.43 C ATOM 316 C LYS A 22 -40.849 2.280 -1.905 1.00 4.38 C ATOM 317 O LYS A 22 -41.874 2.554 -1.293 1.00 4.73 O ATOM 318 CB LYS A 22 -41.106 1.803 -4.362 1.00 4.63 C ATOM 319 CG LYS A 22 -41.259 2.399 -5.751 1.00 4.60 C ATOM 320 CD LYS A 22 -41.273 1.327 -6.828 1.00 4.73 C ATOM 321 CE LYS A 22 -39.866 0.933 -7.249 1.00 4.49 C ATOM 322 NZ LYS A 22 -39.883 -0.096 -8.318 1.00 4.77 N ATOM 0 H LYS A 22 -38.759 2.450 -4.204 1.00 4.03 H new ATOM 0 HA LYS A 22 -41.183 3.739 -3.415 1.00 4.43 H new ATOM 0 HB2 LYS A 22 -40.405 0.969 -4.407 1.00 4.63 H new ATOM 0 HB3 LYS A 22 -42.065 1.396 -4.041 1.00 4.63 H new ATOM 0 HG2 LYS A 22 -42.183 2.975 -5.799 1.00 4.60 H new ATOM 0 HG3 LYS A 22 -40.441 3.094 -5.940 1.00 4.60 H new ATOM 0 HD2 LYS A 22 -41.802 0.448 -6.459 1.00 4.73 H new ATOM 0 HD3 LYS A 22 -41.824 1.690 -7.696 1.00 4.73 H new ATOM 0 HE2 LYS A 22 -39.331 1.815 -7.601 1.00 4.49 H new ATOM 0 HE3 LYS A 22 -39.321 0.552 -6.386 1.00 4.49 H new ATOM 0 HZ1 LYS A 22 -38.907 -0.340 -8.580 1.00 4.77 H new ATOM 0 HZ2 LYS A 22 -40.372 -0.947 -7.973 1.00 4.77 H new ATOM 0 HZ3 LYS A 22 -40.382 0.277 -9.151 1.00 4.77 H new ATOM 336 N ALA A 23 -39.886 1.524 -1.395 1.00 4.00 N ATOM 337 CA ALA A 23 -39.969 0.961 -0.050 1.00 4.00 C ATOM 338 C ALA A 23 -40.048 2.047 1.006 1.00 4.05 C ATOM 339 O ALA A 23 -40.829 1.952 1.943 1.00 4.34 O ATOM 340 CB ALA A 23 -38.771 0.076 0.228 1.00 3.66 C ATOM 0 H ALA A 23 -39.031 1.284 -1.896 1.00 4.00 H new ATOM 0 HA ALA A 23 -40.882 0.367 -0.003 1.00 4.00 H new ATOM 0 HB1 ALA A 23 -38.848 -0.336 1.234 1.00 3.66 H new ATOM 0 HB2 ALA A 23 -38.744 -0.738 -0.496 1.00 3.66 H new ATOM 0 HB3 ALA A 23 -37.857 0.664 0.146 1.00 3.66 H new ATOM 346 N VAL A 24 -39.219 3.066 0.863 1.00 3.82 N ATOM 347 CA VAL A 24 -39.219 4.182 1.793 1.00 3.90 C ATOM 348 C VAL A 24 -40.543 4.934 1.720 1.00 4.37 C ATOM 349 O VAL A 24 -41.101 5.339 2.742 1.00 4.58 O ATOM 350 CB VAL A 24 -38.050 5.154 1.513 1.00 3.69 C ATOM 351 CG1 VAL A 24 -38.108 6.351 2.440 1.00 3.86 C ATOM 352 CG2 VAL A 24 -36.711 4.443 1.658 1.00 3.33 C ATOM 0 H VAL A 24 -38.536 3.144 0.110 1.00 3.82 H new ATOM 0 HA VAL A 24 -39.089 3.774 2.795 1.00 3.90 H new ATOM 0 HB VAL A 24 -38.148 5.507 0.486 1.00 3.69 H new ATOM 0 HG11 VAL A 24 -37.275 7.020 2.223 1.00 3.86 H new ATOM 0 HG12 VAL A 24 -39.048 6.882 2.290 1.00 3.86 H new ATOM 0 HG13 VAL A 24 -38.043 6.014 3.474 1.00 3.86 H new ATOM 0 HG21 VAL A 24 -35.902 5.146 1.457 1.00 3.33 H new ATOM 0 HG22 VAL A 24 -36.612 4.057 2.673 1.00 3.33 H new ATOM 0 HG23 VAL A 24 -36.659 3.617 0.949 1.00 3.33 H new ATOM 362 N TYR A 25 -41.045 5.108 0.504 1.00 4.58 N ATOM 363 CA TYR A 25 -42.365 5.695 0.304 1.00 5.10 C ATOM 364 C TYR A 25 -43.446 4.812 0.942 1.00 5.36 C ATOM 365 O TYR A 25 -44.376 5.308 1.579 1.00 5.71 O ATOM 366 CB TYR A 25 -42.631 5.887 -1.196 1.00 5.32 C ATOM 367 CG TYR A 25 -43.980 6.493 -1.518 1.00 5.87 C ATOM 368 CD1 TYR A 25 -44.207 7.856 -1.367 1.00 6.18 C ATOM 369 CD2 TYR A 25 -45.031 5.698 -1.955 1.00 6.12 C ATOM 370 CE1 TYR A 25 -45.442 8.408 -1.653 1.00 6.71 C ATOM 371 CE2 TYR A 25 -46.267 6.243 -2.240 1.00 6.65 C ATOM 372 CZ TYR A 25 -46.450 7.614 -2.130 1.00 6.94 C ATOM 373 OH TYR A 25 -47.702 8.138 -2.362 1.00 7.48 O ATOM 0 H TYR A 25 -40.560 4.852 -0.356 1.00 4.58 H new ATOM 0 HA TYR A 25 -42.396 6.671 0.789 1.00 5.10 H new ATOM 0 HB2 TYR A 25 -41.851 6.524 -1.612 1.00 5.32 H new ATOM 0 HB3 TYR A 25 -42.552 4.920 -1.693 1.00 5.32 H new ATOM 0 HD1 TYR A 25 -43.407 8.493 -1.021 1.00 6.18 H new ATOM 0 HD2 TYR A 25 -44.879 4.635 -2.074 1.00 6.12 H new ATOM 0 HE1 TYR A 25 -45.611 9.464 -1.500 1.00 6.71 H new ATOM 0 HE2 TYR A 25 -47.085 5.607 -2.546 1.00 6.65 H new ATOM 0 HH TYR A 25 -48.294 7.434 -2.700 1.00 7.48 H new ATOM 383 N PHE A 26 -43.301 3.502 0.781 1.00 5.24 N ATOM 384 CA PHE A 26 -44.243 2.538 1.339 1.00 5.55 C ATOM 385 C PHE A 26 -44.157 2.497 2.866 1.00 5.56 C ATOM 386 O PHE A 26 -45.183 2.472 3.548 1.00 5.98 O ATOM 387 CB PHE A 26 -43.969 1.146 0.761 1.00 5.42 C ATOM 388 CG PHE A 26 -44.901 0.082 1.268 1.00 5.81 C ATOM 389 CD1 PHE A 26 -46.187 -0.026 0.767 1.00 6.32 C ATOM 390 CD2 PHE A 26 -44.490 -0.807 2.249 1.00 5.81 C ATOM 391 CE1 PHE A 26 -47.046 -0.999 1.233 1.00 6.79 C ATOM 392 CE2 PHE A 26 -45.347 -1.784 2.719 1.00 6.37 C ATOM 393 CZ PHE A 26 -46.627 -1.880 2.209 1.00 6.84 C ATOM 0 H PHE A 26 -42.531 3.079 0.263 1.00 5.24 H new ATOM 0 HA PHE A 26 -45.251 2.852 1.066 1.00 5.55 H new ATOM 0 HB2 PHE A 26 -44.044 1.193 -0.325 1.00 5.42 H new ATOM 0 HB3 PHE A 26 -42.944 0.860 0.998 1.00 5.42 H new ATOM 0 HD1 PHE A 26 -46.521 0.660 0.002 1.00 6.32 H new ATOM 0 HD2 PHE A 26 -43.490 -0.735 2.650 1.00 5.81 H new ATOM 0 HE1 PHE A 26 -48.047 -1.072 0.834 1.00 6.79 H new ATOM 0 HE2 PHE A 26 -45.016 -2.471 3.484 1.00 6.37 H new ATOM 0 HZ PHE A 26 -47.299 -2.643 2.573 1.00 6.84 H new ATOM 403 N THR A 27 -42.934 2.492 3.395 1.00 5.14 N ATOM 404 CA THR A 27 -42.720 2.428 4.841 1.00 5.20 C ATOM 405 C THR A 27 -43.208 3.701 5.533 1.00 5.47 C ATOM 406 O THR A 27 -43.403 3.728 6.748 1.00 5.71 O ATOM 407 CB THR A 27 -41.237 2.189 5.212 1.00 4.75 C ATOM 408 OG1 THR A 27 -40.394 3.115 4.520 1.00 4.44 O ATOM 409 CG2 THR A 27 -40.808 0.771 4.876 1.00 4.59 C ATOM 0 H THR A 27 -42.076 2.531 2.844 1.00 5.14 H new ATOM 0 HA THR A 27 -43.302 1.575 5.190 1.00 5.20 H new ATOM 0 HB THR A 27 -41.138 2.339 6.287 1.00 4.75 H new ATOM 0 HG1 THR A 27 -40.946 3.796 4.082 1.00 4.44 H new ATOM 0 HG21 THR A 27 -39.761 0.633 5.148 1.00 4.59 H new ATOM 0 HG22 THR A 27 -41.423 0.063 5.432 1.00 4.59 H new ATOM 0 HG23 THR A 27 -40.931 0.597 3.807 1.00 4.59 H new ATOM 417 N GLY A 28 -43.395 4.754 4.740 1.00 5.48 N ATOM 418 CA GLY A 28 -43.880 6.015 5.265 1.00 5.75 C ATOM 419 C GLY A 28 -42.773 6.823 5.905 1.00 5.44 C ATOM 420 O GLY A 28 -42.924 7.292 7.031 1.00 5.64 O ATOM 0 H GLY A 28 -43.217 4.753 3.736 1.00 5.48 H new ATOM 0 HA2 GLY A 28 -44.333 6.593 4.460 1.00 5.75 H new ATOM 0 HA3 GLY A 28 -44.662 5.825 6.000 1.00 5.75 H new ATOM 424 N ASN A 29 -41.657 6.975 5.174 1.00 5.01 N ATOM 425 CA ASN A 29 -40.454 7.676 5.660 1.00 4.73 C ATOM 426 C ASN A 29 -40.118 7.298 7.103 1.00 4.74 C ATOM 427 O ASN A 29 -39.809 8.150 7.936 1.00 4.97 O ATOM 428 CB ASN A 29 -40.551 9.214 5.496 1.00 4.95 C ATOM 429 CG ASN A 29 -41.762 9.860 6.160 1.00 4.86 C ATOM 430 OD1 ASN A 29 -41.774 10.107 7.365 1.00 4.99 O ATOM 431 ND2 ASN A 29 -42.770 10.191 5.364 1.00 5.06 N ATOM 0 H ASN A 29 -41.562 6.614 4.225 1.00 5.01 H new ATOM 0 HA ASN A 29 -39.633 7.340 5.026 1.00 4.73 H new ATOM 0 HB2 ASN A 29 -39.647 9.665 5.906 1.00 4.95 H new ATOM 0 HB3 ASN A 29 -40.571 9.450 4.432 1.00 4.95 H new ATOM 0 HD21 ASN A 29 -43.588 10.665 5.747 1.00 5.06 H new ATOM 0 HD22 ASN A 29 -42.727 9.971 4.369 1.00 5.06 H new ATOM 438 N MET A 30 -40.170 6.001 7.382 1.00 4.58 N ATOM 439 CA MET A 30 -39.877 5.489 8.715 1.00 4.71 C ATOM 440 C MET A 30 -38.423 5.732 9.091 1.00 4.46 C ATOM 441 O MET A 30 -38.133 6.464 10.035 1.00 4.65 O ATOM 442 CB MET A 30 -40.191 3.996 8.803 1.00 4.89 C ATOM 443 CG MET A 30 -41.537 3.692 9.434 1.00 5.35 C ATOM 444 SD MET A 30 -41.660 4.324 11.116 1.00 5.80 S ATOM 445 CE MET A 30 -43.261 3.689 11.602 1.00 6.28 C ATOM 0 H MET A 30 -40.413 5.282 6.700 1.00 4.58 H new ATOM 0 HA MET A 30 -40.511 6.027 9.419 1.00 4.71 H new ATOM 0 HB2 MET A 30 -40.165 3.569 7.801 1.00 4.89 H new ATOM 0 HB3 MET A 30 -39.409 3.503 9.381 1.00 4.89 H new ATOM 0 HG2 MET A 30 -42.328 4.129 8.825 1.00 5.35 H new ATOM 0 HG3 MET A 30 -41.698 2.614 9.440 1.00 5.35 H new ATOM 0 HE1 MET A 30 -43.480 3.998 12.624 1.00 6.28 H new ATOM 0 HE2 MET A 30 -44.027 4.081 10.933 1.00 6.28 H new ATOM 0 HE3 MET A 30 -43.253 2.600 11.546 1.00 6.28 H new ATOM 455 N GLY A 31 -37.515 5.126 8.348 1.00 4.17 N ATOM 456 CA GLY A 31 -36.108 5.271 8.638 1.00 4.03 C ATOM 457 C GLY A 31 -35.252 4.599 7.595 1.00 3.77 C ATOM 458 O GLY A 31 -35.756 3.810 6.792 1.00 3.68 O ATOM 0 H GLY A 31 -37.728 4.534 7.546 1.00 4.17 H new ATOM 0 HA2 GLY A 31 -35.854 6.330 8.690 1.00 4.03 H new ATOM 0 HA3 GLY A 31 -35.892 4.843 9.617 1.00 4.03 H new ATOM 462 N ALA A 32 -33.963 4.902 7.617 1.00 3.73 N ATOM 463 CA ALA A 32 -33.027 4.367 6.656 1.00 3.58 C ATOM 464 C ALA A 32 -32.891 2.861 6.809 1.00 3.72 C ATOM 465 O ALA A 32 -32.948 2.112 5.833 1.00 3.56 O ATOM 466 CB ALA A 32 -31.687 5.044 6.845 1.00 3.73 C ATOM 0 H ALA A 32 -33.542 5.527 8.305 1.00 3.73 H new ATOM 0 HA ALA A 32 -33.396 4.563 5.649 1.00 3.58 H new ATOM 0 HB1 ALA A 32 -30.973 4.646 6.123 1.00 3.73 H new ATOM 0 HB2 ALA A 32 -31.797 6.118 6.693 1.00 3.73 H new ATOM 0 HB3 ALA A 32 -31.324 4.856 7.855 1.00 3.73 H new ATOM 472 N GLU A 33 -32.744 2.424 8.048 1.00 4.10 N ATOM 473 CA GLU A 33 -32.540 1.018 8.342 1.00 4.38 C ATOM 474 C GLU A 33 -33.856 0.255 8.214 1.00 4.28 C ATOM 475 O GLU A 33 -33.866 -0.933 7.905 1.00 4.30 O ATOM 476 CB GLU A 33 -31.961 0.859 9.748 1.00 4.91 C ATOM 477 CG GLU A 33 -30.777 1.775 10.029 1.00 5.11 C ATOM 478 CD GLU A 33 -29.593 1.528 9.116 1.00 5.12 C ATOM 479 OE1 GLU A 33 -28.876 0.524 9.325 1.00 5.46 O ATOM 480 OE2 GLU A 33 -29.353 2.348 8.205 1.00 5.09 O ATOM 0 H GLU A 33 -32.762 3.027 8.870 1.00 4.10 H new ATOM 0 HA GLU A 33 -31.832 0.604 7.624 1.00 4.38 H new ATOM 0 HB2 GLU A 33 -32.745 1.058 10.479 1.00 4.91 H new ATOM 0 HB3 GLU A 33 -31.650 -0.176 9.888 1.00 4.91 H new ATOM 0 HG2 GLU A 33 -31.097 2.812 9.924 1.00 5.11 H new ATOM 0 HG3 GLU A 33 -30.462 1.642 11.064 1.00 5.11 H new ATOM 487 N VAL A 34 -34.969 0.951 8.438 1.00 4.27 N ATOM 488 CA VAL A 34 -36.294 0.354 8.277 1.00 4.34 C ATOM 489 C VAL A 34 -36.476 -0.166 6.854 1.00 4.01 C ATOM 490 O VAL A 34 -36.965 -1.278 6.645 1.00 4.11 O ATOM 491 CB VAL A 34 -37.424 1.361 8.598 1.00 4.54 C ATOM 492 CG1 VAL A 34 -38.794 0.744 8.339 1.00 4.83 C ATOM 493 CG2 VAL A 34 -37.324 1.839 10.038 1.00 4.88 C ATOM 0 H VAL A 34 -34.980 1.928 8.731 1.00 4.27 H new ATOM 0 HA VAL A 34 -36.359 -0.473 8.985 1.00 4.34 H new ATOM 0 HB VAL A 34 -37.305 2.220 7.938 1.00 4.54 H new ATOM 0 HG11 VAL A 34 -39.571 1.472 8.572 1.00 4.83 H new ATOM 0 HG12 VAL A 34 -38.871 0.455 7.291 1.00 4.83 H new ATOM 0 HG13 VAL A 34 -38.921 -0.137 8.968 1.00 4.83 H new ATOM 0 HG21 VAL A 34 -38.128 2.546 10.243 1.00 4.88 H new ATOM 0 HG22 VAL A 34 -37.410 0.986 10.711 1.00 4.88 H new ATOM 0 HG23 VAL A 34 -36.362 2.328 10.193 1.00 4.88 H new ATOM 503 N ALA A 35 -36.065 0.633 5.877 1.00 3.68 N ATOM 504 CA ALA A 35 -36.169 0.229 4.482 1.00 3.42 C ATOM 505 C ALA A 35 -35.064 -0.752 4.121 1.00 3.28 C ATOM 506 O ALA A 35 -35.254 -1.620 3.272 1.00 3.21 O ATOM 507 CB ALA A 35 -36.154 1.426 3.555 1.00 3.22 C ATOM 0 H ALA A 35 -35.660 1.557 6.024 1.00 3.68 H new ATOM 0 HA ALA A 35 -37.128 -0.273 4.353 1.00 3.42 H new ATOM 0 HB1 ALA A 35 -36.233 1.087 2.522 1.00 3.22 H new ATOM 0 HB2 ALA A 35 -36.996 2.078 3.789 1.00 3.22 H new ATOM 0 HB3 ALA A 35 -35.222 1.976 3.686 1.00 3.22 H new ATOM 513 N PHE A 36 -33.905 -0.602 4.763 1.00 3.36 N ATOM 514 CA PHE A 36 -32.840 -1.599 4.669 1.00 3.45 C ATOM 515 C PHE A 36 -33.410 -2.979 4.993 1.00 3.68 C ATOM 516 O PHE A 36 -33.175 -3.950 4.272 1.00 3.69 O ATOM 517 CB PHE A 36 -31.694 -1.250 5.628 1.00 3.70 C ATOM 518 CG PHE A 36 -30.699 -2.361 5.828 1.00 3.98 C ATOM 519 CD1 PHE A 36 -29.798 -2.683 4.825 1.00 3.93 C ATOM 520 CD2 PHE A 36 -30.662 -3.081 7.012 1.00 4.38 C ATOM 521 CE1 PHE A 36 -28.882 -3.701 4.997 1.00 4.29 C ATOM 522 CE2 PHE A 36 -29.746 -4.102 7.190 1.00 4.71 C ATOM 523 CZ PHE A 36 -28.867 -4.415 6.217 1.00 4.66 C ATOM 0 H PHE A 36 -33.681 0.199 5.353 1.00 3.36 H new ATOM 0 HA PHE A 36 -32.441 -1.606 3.655 1.00 3.45 H new ATOM 0 HB2 PHE A 36 -31.171 -0.373 5.248 1.00 3.70 H new ATOM 0 HB3 PHE A 36 -32.115 -0.976 6.595 1.00 3.70 H new ATOM 0 HD1 PHE A 36 -29.813 -2.130 3.897 1.00 3.93 H new ATOM 0 HD2 PHE A 36 -31.356 -2.842 7.804 1.00 4.38 H new ATOM 0 HE1 PHE A 36 -28.186 -3.949 4.210 1.00 4.29 H new ATOM 0 HE2 PHE A 36 -29.735 -4.654 8.118 1.00 4.71 H new ATOM 0 HZ PHE A 36 -28.152 -5.210 6.369 1.00 4.66 H new ATOM 533 N ASN A 37 -34.189 -3.041 6.072 1.00 3.94 N ATOM 534 CA ASN A 37 -34.879 -4.261 6.463 1.00 4.25 C ATOM 535 C ASN A 37 -35.835 -4.712 5.372 1.00 4.16 C ATOM 536 O ASN A 37 -35.835 -5.878 4.984 1.00 4.35 O ATOM 537 CB ASN A 37 -35.661 -4.048 7.761 1.00 4.57 C ATOM 538 CG ASN A 37 -34.804 -4.184 9.009 1.00 5.25 C ATOM 539 OD1 ASN A 37 -34.682 -5.269 9.571 1.00 5.69 O ATOM 540 ND2 ASN A 37 -34.212 -3.091 9.464 1.00 5.66 N ATOM 0 H ASN A 37 -34.357 -2.250 6.694 1.00 3.94 H new ATOM 0 HA ASN A 37 -34.125 -5.032 6.620 1.00 4.25 H new ATOM 0 HB2 ASN A 37 -36.113 -3.056 7.746 1.00 4.57 H new ATOM 0 HB3 ASN A 37 -36.476 -4.770 7.808 1.00 4.57 H new ATOM 0 HD21 ASN A 37 -33.635 -3.136 10.304 1.00 5.66 H new ATOM 0 HD22 ASN A 37 -34.333 -2.204 8.975 1.00 5.66 H new ATOM 547 N TRP A 38 -36.629 -3.778 4.860 1.00 3.97 N ATOM 548 CA TRP A 38 -37.626 -4.097 3.848 1.00 4.01 C ATOM 549 C TRP A 38 -36.959 -4.744 2.634 1.00 3.81 C ATOM 550 O TRP A 38 -37.494 -5.678 2.031 1.00 4.02 O ATOM 551 CB TRP A 38 -38.402 -2.835 3.430 1.00 3.96 C ATOM 552 CG TRP A 38 -39.658 -3.140 2.668 1.00 4.29 C ATOM 553 CD1 TRP A 38 -40.908 -3.306 3.190 1.00 4.58 C ATOM 554 CD2 TRP A 38 -39.787 -3.331 1.251 1.00 4.67 C ATOM 555 NE1 TRP A 38 -41.802 -3.584 2.187 1.00 4.88 N ATOM 556 CE2 TRP A 38 -41.141 -3.603 0.990 1.00 4.93 C ATOM 557 CE3 TRP A 38 -38.893 -3.294 0.177 1.00 5.14 C ATOM 558 CZ2 TRP A 38 -41.622 -3.839 -0.295 1.00 5.44 C ATOM 559 CZ3 TRP A 38 -39.371 -3.530 -1.099 1.00 5.81 C ATOM 560 CH2 TRP A 38 -40.725 -3.797 -1.325 1.00 5.87 C ATOM 0 H TRP A 38 -36.601 -2.795 5.130 1.00 3.97 H new ATOM 0 HA TRP A 38 -38.336 -4.806 4.274 1.00 4.01 H new ATOM 0 HB2 TRP A 38 -38.655 -2.260 4.321 1.00 3.96 H new ATOM 0 HB3 TRP A 38 -37.757 -2.205 2.817 1.00 3.96 H new ATOM 0 HD1 TRP A 38 -41.157 -3.230 4.238 1.00 4.58 H new ATOM 0 HE1 TRP A 38 -42.800 -3.750 2.314 1.00 4.88 H new ATOM 0 HE3 TRP A 38 -37.846 -3.085 0.341 1.00 5.14 H new ATOM 0 HZ2 TRP A 38 -42.667 -4.048 -0.471 1.00 5.44 H new ATOM 0 HZ3 TRP A 38 -38.687 -3.508 -1.935 1.00 5.81 H new ATOM 0 HH2 TRP A 38 -41.069 -3.974 -2.334 1.00 5.87 H new ATOM 571 N ILE A 39 -35.765 -4.265 2.312 1.00 3.49 N ATOM 572 CA ILE A 39 -35.024 -4.753 1.162 1.00 3.34 C ATOM 573 C ILE A 39 -34.410 -6.124 1.416 1.00 3.60 C ATOM 574 O ILE A 39 -34.538 -7.017 0.588 1.00 3.69 O ATOM 575 CB ILE A 39 -33.938 -3.732 0.726 1.00 3.04 C ATOM 576 CG1 ILE A 39 -34.432 -2.955 -0.492 1.00 2.98 C ATOM 577 CG2 ILE A 39 -32.595 -4.401 0.435 1.00 3.21 C ATOM 578 CD1 ILE A 39 -35.651 -2.107 -0.214 1.00 3.10 C ATOM 0 H ILE A 39 -35.288 -3.533 2.838 1.00 3.49 H new ATOM 0 HA ILE A 39 -35.737 -4.866 0.346 1.00 3.34 H new ATOM 0 HB ILE A 39 -33.769 -3.045 1.555 1.00 3.04 H new ATOM 0 HG12 ILE A 39 -33.628 -2.314 -0.854 1.00 2.98 H new ATOM 0 HG13 ILE A 39 -34.664 -3.658 -1.292 1.00 2.98 H new ATOM 0 HG21 ILE A 39 -31.870 -3.645 0.134 1.00 3.21 H new ATOM 0 HG22 ILE A 39 -32.240 -4.909 1.332 1.00 3.21 H new ATOM 0 HG23 ILE A 39 -32.717 -5.127 -0.369 1.00 3.21 H new ATOM 0 HD11 ILE A 39 -35.946 -1.584 -1.124 1.00 3.10 H new ATOM 0 HD12 ILE A 39 -36.470 -2.745 0.119 1.00 3.10 H new ATOM 0 HD13 ILE A 39 -35.418 -1.379 0.564 1.00 3.10 H new ATOM 590 N ILE A 40 -33.767 -6.309 2.557 1.00 3.82 N ATOM 591 CA ILE A 40 -33.112 -7.576 2.835 1.00 4.18 C ATOM 592 C ILE A 40 -34.137 -8.680 3.077 1.00 4.46 C ATOM 593 O ILE A 40 -33.832 -9.869 2.987 1.00 4.72 O ATOM 594 CB ILE A 40 -32.112 -7.453 4.005 1.00 4.46 C ATOM 595 CG1 ILE A 40 -32.765 -6.889 5.272 1.00 4.61 C ATOM 596 CG2 ILE A 40 -30.941 -6.580 3.573 1.00 4.32 C ATOM 597 CD1 ILE A 40 -33.507 -7.922 6.091 1.00 5.04 C ATOM 0 H ILE A 40 -33.685 -5.610 3.295 1.00 3.82 H new ATOM 0 HA ILE A 40 -32.534 -7.853 1.953 1.00 4.18 H new ATOM 0 HB ILE A 40 -31.758 -8.453 4.254 1.00 4.46 H new ATOM 0 HG12 ILE A 40 -31.995 -6.432 5.893 1.00 4.61 H new ATOM 0 HG13 ILE A 40 -33.459 -6.097 4.990 1.00 4.61 H new ATOM 0 HG21 ILE A 40 -30.232 -6.490 4.396 1.00 4.32 H new ATOM 0 HG22 ILE A 40 -30.446 -7.034 2.715 1.00 4.32 H new ATOM 0 HG23 ILE A 40 -31.307 -5.590 3.299 1.00 4.32 H new ATOM 0 HD11 ILE A 40 -33.941 -7.446 6.970 1.00 5.04 H new ATOM 0 HD12 ILE A 40 -34.301 -8.363 5.488 1.00 5.04 H new ATOM 0 HD13 ILE A 40 -32.815 -8.703 6.406 1.00 5.04 H new ATOM 609 N VAL A 41 -35.356 -8.272 3.387 1.00 4.47 N ATOM 610 CA VAL A 41 -36.478 -9.193 3.456 1.00 4.80 C ATOM 611 C VAL A 41 -37.018 -9.497 2.058 1.00 4.72 C ATOM 612 O VAL A 41 -37.330 -10.645 1.743 1.00 5.04 O ATOM 613 CB VAL A 41 -37.617 -8.642 4.343 1.00 4.99 C ATOM 614 CG1 VAL A 41 -38.850 -9.531 4.265 1.00 5.34 C ATOM 615 CG2 VAL A 41 -37.152 -8.521 5.783 1.00 5.37 C ATOM 0 H VAL A 41 -35.595 -7.303 3.596 1.00 4.47 H new ATOM 0 HA VAL A 41 -36.108 -10.114 3.907 1.00 4.80 H new ATOM 0 HB VAL A 41 -37.885 -7.653 3.972 1.00 4.99 H new ATOM 0 HG11 VAL A 41 -39.636 -9.120 4.899 1.00 5.34 H new ATOM 0 HG12 VAL A 41 -39.201 -9.576 3.234 1.00 5.34 H new ATOM 0 HG13 VAL A 41 -38.597 -10.535 4.606 1.00 5.34 H new ATOM 0 HG21 VAL A 41 -37.965 -8.132 6.396 1.00 5.37 H new ATOM 0 HG22 VAL A 41 -36.856 -9.502 6.153 1.00 5.37 H new ATOM 0 HG23 VAL A 41 -36.301 -7.842 5.835 1.00 5.37 H new ATOM 625 N HIS A 42 -37.118 -8.475 1.213 1.00 4.36 N ATOM 626 CA HIS A 42 -37.721 -8.650 -0.104 1.00 4.38 C ATOM 627 C HIS A 42 -36.678 -8.727 -1.212 1.00 4.19 C ATOM 628 O HIS A 42 -36.977 -8.484 -2.376 1.00 4.21 O ATOM 629 CB HIS A 42 -38.748 -7.555 -0.386 1.00 4.29 C ATOM 630 CG HIS A 42 -40.005 -7.722 0.409 1.00 4.59 C ATOM 631 ND1 HIS A 42 -40.977 -8.650 0.097 1.00 4.88 N ATOM 632 CD2 HIS A 42 -40.435 -7.094 1.529 1.00 5.00 C ATOM 633 CE1 HIS A 42 -41.945 -8.584 0.990 1.00 5.32 C ATOM 634 NE2 HIS A 42 -41.642 -7.649 1.872 1.00 5.35 N ATOM 0 H HIS A 42 -36.794 -7.529 1.413 1.00 4.36 H new ATOM 0 HA HIS A 42 -38.240 -9.609 -0.093 1.00 4.38 H new ATOM 0 HB2 HIS A 42 -38.308 -6.583 -0.162 1.00 4.29 H new ATOM 0 HB3 HIS A 42 -38.992 -7.557 -1.448 1.00 4.29 H new ATOM 0 HD1 HIS A 42 -40.951 -9.287 -0.699 1.00 4.88 H new ATOM 0 HD2 HIS A 42 -39.922 -6.302 2.055 1.00 5.00 H new ATOM 0 HE1 HIS A 42 -42.837 -9.193 0.999 1.00 5.32 H new ATOM 643 N MET A 43 -35.452 -9.051 -0.844 1.00 4.14 N ATOM 644 CA MET A 43 -34.415 -9.338 -1.829 1.00 4.14 C ATOM 645 C MET A 43 -34.758 -10.625 -2.572 1.00 4.46 C ATOM 646 O MET A 43 -34.273 -10.878 -3.671 1.00 4.53 O ATOM 647 CB MET A 43 -33.037 -9.454 -1.166 1.00 4.26 C ATOM 648 CG MET A 43 -32.954 -10.518 -0.082 1.00 4.64 C ATOM 649 SD MET A 43 -31.272 -10.766 0.520 1.00 4.92 S ATOM 650 CE MET A 43 -31.537 -12.069 1.721 1.00 5.73 C ATOM 0 H MET A 43 -35.146 -9.123 0.126 1.00 4.14 H new ATOM 0 HA MET A 43 -34.372 -8.512 -2.538 1.00 4.14 H new ATOM 0 HB2 MET A 43 -32.295 -9.674 -1.933 1.00 4.26 H new ATOM 0 HB3 MET A 43 -32.772 -8.489 -0.733 1.00 4.26 H new ATOM 0 HG2 MET A 43 -33.596 -10.233 0.752 1.00 4.64 H new ATOM 0 HG3 MET A 43 -33.339 -11.460 -0.473 1.00 4.64 H new ATOM 0 HE1 MET A 43 -30.738 -12.049 2.462 1.00 5.73 H new ATOM 0 HE2 MET A 43 -32.496 -11.917 2.217 1.00 5.73 H new ATOM 0 HE3 MET A 43 -31.539 -13.035 1.216 1.00 5.73 H new ATOM 660 N GLU A 44 -35.600 -11.434 -1.940 1.00 4.75 N ATOM 661 CA GLU A 44 -36.032 -12.709 -2.493 1.00 5.13 C ATOM 662 C GLU A 44 -37.123 -12.534 -3.549 1.00 5.18 C ATOM 663 O GLU A 44 -37.697 -13.516 -4.022 1.00 5.55 O ATOM 664 CB GLU A 44 -36.541 -13.599 -1.365 1.00 5.44 C ATOM 665 CG GLU A 44 -37.631 -12.946 -0.533 1.00 5.61 C ATOM 666 CD GLU A 44 -38.059 -13.798 0.640 1.00 6.04 C ATOM 667 OE1 GLU A 44 -37.202 -14.120 1.489 1.00 6.20 O ATOM 668 OE2 GLU A 44 -39.243 -14.174 0.705 1.00 6.34 O ATOM 0 H GLU A 44 -36.003 -11.222 -1.027 1.00 4.75 H new ATOM 0 HA GLU A 44 -35.176 -13.173 -2.982 1.00 5.13 H new ATOM 0 HB2 GLU A 44 -36.923 -14.528 -1.788 1.00 5.44 H new ATOM 0 HB3 GLU A 44 -35.707 -13.864 -0.715 1.00 5.44 H new ATOM 0 HG2 GLU A 44 -37.275 -11.983 -0.167 1.00 5.61 H new ATOM 0 HG3 GLU A 44 -38.495 -12.746 -1.166 1.00 5.61 H new ATOM 675 N GLU A 45 -37.424 -11.289 -3.900 1.00 4.91 N ATOM 676 CA GLU A 45 -38.371 -11.012 -4.972 1.00 5.03 C ATOM 677 C GLU A 45 -37.651 -11.112 -6.316 1.00 4.94 C ATOM 678 O GLU A 45 -36.536 -10.622 -6.467 1.00 4.63 O ATOM 679 CB GLU A 45 -38.989 -9.616 -4.820 1.00 4.92 C ATOM 680 CG GLU A 45 -39.617 -9.336 -3.459 1.00 5.10 C ATOM 681 CD GLU A 45 -40.719 -10.306 -3.080 1.00 5.33 C ATOM 682 OE1 GLU A 45 -41.360 -10.861 -4.000 1.00 5.62 O ATOM 683 OE2 GLU A 45 -40.937 -10.534 -1.873 1.00 5.49 O ATOM 0 H GLU A 45 -37.028 -10.459 -3.460 1.00 4.91 H new ATOM 0 HA GLU A 45 -39.176 -11.745 -4.922 1.00 5.03 H new ATOM 0 HB2 GLU A 45 -38.216 -8.870 -5.008 1.00 4.92 H new ATOM 0 HB3 GLU A 45 -39.751 -9.486 -5.589 1.00 4.92 H new ATOM 0 HG2 GLU A 45 -38.839 -9.370 -2.697 1.00 5.10 H new ATOM 0 HG3 GLU A 45 -40.021 -8.324 -3.457 1.00 5.10 H new ATOM 690 N PRO A 46 -38.286 -11.761 -7.302 1.00 5.34 N ATOM 691 CA PRO A 46 -37.689 -11.993 -8.626 1.00 5.48 C ATOM 692 C PRO A 46 -37.448 -10.711 -9.417 1.00 5.20 C ATOM 693 O PRO A 46 -36.421 -10.547 -10.074 1.00 5.09 O ATOM 694 CB PRO A 46 -38.742 -12.837 -9.353 1.00 6.09 C ATOM 695 CG PRO A 46 -40.017 -12.591 -8.626 1.00 6.22 C ATOM 696 CD PRO A 46 -39.637 -12.339 -7.198 1.00 5.83 C ATOM 0 HA PRO A 46 -36.710 -12.462 -8.529 1.00 5.48 H new ATOM 0 HB2 PRO A 46 -38.824 -12.546 -10.400 1.00 6.09 H new ATOM 0 HB3 PRO A 46 -38.478 -13.894 -9.336 1.00 6.09 H new ATOM 0 HG2 PRO A 46 -40.546 -11.736 -9.046 1.00 6.22 H new ATOM 0 HG3 PRO A 46 -40.684 -13.449 -8.707 1.00 6.22 H new ATOM 0 HD2 PRO A 46 -40.331 -11.653 -6.712 1.00 5.83 H new ATOM 0 HD3 PRO A 46 -39.637 -13.259 -6.614 1.00 5.83 H new ATOM 704 N ASP A 47 -38.415 -9.815 -9.362 1.00 5.24 N ATOM 705 CA ASP A 47 -38.432 -8.638 -10.218 1.00 5.21 C ATOM 706 C ASP A 47 -38.339 -7.357 -9.377 1.00 4.87 C ATOM 707 O ASP A 47 -38.778 -6.284 -9.786 1.00 5.07 O ATOM 708 CB ASP A 47 -39.713 -8.699 -11.058 1.00 5.76 C ATOM 709 CG ASP A 47 -39.865 -7.577 -12.067 1.00 5.90 C ATOM 710 OD1 ASP A 47 -39.134 -7.577 -13.079 1.00 5.92 O ATOM 711 OD2 ASP A 47 -40.755 -6.719 -11.881 1.00 6.09 O ATOM 0 H ASP A 47 -39.210 -9.879 -8.726 1.00 5.24 H new ATOM 0 HA ASP A 47 -37.569 -8.622 -10.883 1.00 5.21 H new ATOM 0 HB2 ASP A 47 -39.738 -9.651 -11.588 1.00 5.76 H new ATOM 0 HB3 ASP A 47 -40.572 -8.684 -10.387 1.00 5.76 H new ATOM 716 N PHE A 48 -37.754 -7.489 -8.190 1.00 4.47 N ATOM 717 CA PHE A 48 -37.679 -6.385 -7.226 1.00 4.28 C ATOM 718 C PHE A 48 -36.944 -5.170 -7.799 1.00 4.06 C ATOM 719 O PHE A 48 -37.306 -4.025 -7.515 1.00 4.10 O ATOM 720 CB PHE A 48 -36.995 -6.850 -5.928 1.00 4.08 C ATOM 721 CG PHE A 48 -35.514 -7.108 -6.053 1.00 4.34 C ATOM 722 CD1 PHE A 48 -35.032 -8.114 -6.872 1.00 4.82 C ATOM 723 CD2 PHE A 48 -34.607 -6.338 -5.345 1.00 4.54 C ATOM 724 CE1 PHE A 48 -33.675 -8.345 -6.985 1.00 5.56 C ATOM 725 CE2 PHE A 48 -33.249 -6.565 -5.452 1.00 5.35 C ATOM 726 CZ PHE A 48 -32.781 -7.569 -6.274 1.00 5.89 C ATOM 0 H PHE A 48 -37.321 -8.354 -7.867 1.00 4.47 H new ATOM 0 HA PHE A 48 -38.702 -6.079 -7.006 1.00 4.28 H new ATOM 0 HB2 PHE A 48 -37.155 -6.095 -5.159 1.00 4.08 H new ATOM 0 HB3 PHE A 48 -37.481 -7.763 -5.584 1.00 4.08 H new ATOM 0 HD1 PHE A 48 -35.725 -8.726 -7.430 1.00 4.82 H new ATOM 0 HD2 PHE A 48 -34.966 -5.549 -4.700 1.00 4.54 H new ATOM 0 HE1 PHE A 48 -33.313 -9.133 -7.629 1.00 5.56 H new ATOM 0 HE2 PHE A 48 -32.554 -5.957 -4.892 1.00 5.35 H new ATOM 0 HZ PHE A 48 -31.719 -7.748 -6.361 1.00 5.89 H new ATOM 736 N ALA A 49 -35.926 -5.426 -8.609 1.00 3.98 N ATOM 737 CA ALA A 49 -35.123 -4.381 -9.206 1.00 3.94 C ATOM 738 C ALA A 49 -34.495 -4.903 -10.482 1.00 4.20 C ATOM 739 O ALA A 49 -33.725 -5.864 -10.452 1.00 4.60 O ATOM 740 CB ALA A 49 -34.042 -3.914 -8.240 1.00 3.76 C ATOM 0 H ALA A 49 -35.637 -6.369 -8.868 1.00 3.98 H new ATOM 0 HA ALA A 49 -35.762 -3.528 -9.436 1.00 3.94 H new ATOM 0 HB1 ALA A 49 -33.450 -3.128 -8.709 1.00 3.76 H new ATOM 0 HB2 ALA A 49 -34.507 -3.526 -7.334 1.00 3.76 H new ATOM 0 HB3 ALA A 49 -33.395 -4.753 -7.985 1.00 3.76 H new ATOM 746 N GLU A 50 -34.856 -4.291 -11.595 1.00 4.24 N ATOM 747 CA GLU A 50 -34.321 -4.675 -12.893 1.00 4.57 C ATOM 748 C GLU A 50 -32.807 -4.457 -12.923 1.00 4.75 C ATOM 749 O GLU A 50 -32.326 -3.324 -12.849 1.00 4.95 O ATOM 750 CB GLU A 50 -35.010 -3.883 -14.003 1.00 4.92 C ATOM 751 CG GLU A 50 -36.525 -4.039 -13.991 1.00 5.05 C ATOM 752 CD GLU A 50 -37.190 -3.413 -15.197 1.00 5.48 C ATOM 753 OE1 GLU A 50 -37.355 -4.116 -16.218 1.00 5.96 O ATOM 754 OE2 GLU A 50 -37.550 -2.218 -15.136 1.00 5.57 O ATOM 0 H GLU A 50 -35.523 -3.520 -11.628 1.00 4.24 H new ATOM 0 HA GLU A 50 -34.517 -5.734 -13.060 1.00 4.57 H new ATOM 0 HB2 GLU A 50 -34.758 -2.828 -13.899 1.00 4.92 H new ATOM 0 HB3 GLU A 50 -34.624 -4.210 -14.969 1.00 4.92 H new ATOM 0 HG2 GLU A 50 -36.776 -5.099 -13.953 1.00 5.05 H new ATOM 0 HG3 GLU A 50 -36.925 -3.584 -13.085 1.00 5.05 H new ATOM 761 N PRO A 51 -32.040 -5.549 -13.031 1.00 4.90 N ATOM 762 CA PRO A 51 -30.595 -5.527 -12.889 1.00 5.25 C ATOM 763 C PRO A 51 -29.862 -5.302 -14.205 1.00 5.72 C ATOM 764 O PRO A 51 -29.095 -6.148 -14.656 1.00 6.20 O ATOM 765 CB PRO A 51 -30.283 -6.919 -12.342 1.00 5.43 C ATOM 766 CG PRO A 51 -31.489 -7.773 -12.624 1.00 5.26 C ATOM 767 CD PRO A 51 -32.516 -6.904 -13.307 1.00 4.99 C ATOM 0 HA PRO A 51 -30.268 -4.705 -12.252 1.00 5.25 H new ATOM 0 HB2 PRO A 51 -29.395 -7.333 -12.820 1.00 5.43 H new ATOM 0 HB3 PRO A 51 -30.079 -6.878 -11.272 1.00 5.43 H new ATOM 0 HG2 PRO A 51 -31.220 -8.618 -13.258 1.00 5.26 H new ATOM 0 HG3 PRO A 51 -31.891 -8.185 -11.698 1.00 5.26 H new ATOM 0 HD2 PRO A 51 -32.565 -7.104 -14.377 1.00 4.99 H new ATOM 0 HD3 PRO A 51 -33.516 -7.070 -12.905 1.00 4.99 H new ATOM 775 N LEU A 52 -30.098 -4.154 -14.809 1.00 5.84 N ATOM 776 CA LEU A 52 -29.391 -3.774 -16.026 1.00 6.50 C ATOM 777 C LEU A 52 -28.706 -2.429 -15.813 1.00 6.46 C ATOM 778 O LEU A 52 -28.638 -1.587 -16.709 1.00 6.65 O ATOM 779 CB LEU A 52 -30.352 -3.714 -17.219 1.00 7.01 C ATOM 780 CG LEU A 52 -29.680 -3.561 -18.586 1.00 7.83 C ATOM 781 CD1 LEU A 52 -28.805 -4.769 -18.894 1.00 8.24 C ATOM 782 CD2 LEU A 52 -30.727 -3.360 -19.668 1.00 8.24 C ATOM 0 H LEU A 52 -30.774 -3.464 -14.480 1.00 5.84 H new ATOM 0 HA LEU A 52 -28.636 -4.527 -16.250 1.00 6.50 H new ATOM 0 HB2 LEU A 52 -30.954 -4.623 -17.227 1.00 7.01 H new ATOM 0 HB3 LEU A 52 -31.037 -2.879 -17.072 1.00 7.01 H new ATOM 0 HG LEU A 52 -29.039 -2.680 -18.561 1.00 7.83 H new ATOM 0 HD11 LEU A 52 -28.337 -4.640 -19.870 1.00 8.24 H new ATOM 0 HD12 LEU A 52 -28.033 -4.863 -18.131 1.00 8.24 H new ATOM 0 HD13 LEU A 52 -29.418 -5.670 -18.902 1.00 8.24 H new ATOM 0 HD21 LEU A 52 -30.235 -3.253 -20.635 1.00 8.24 H new ATOM 0 HD22 LEU A 52 -31.394 -4.222 -19.694 1.00 8.24 H new ATOM 0 HD23 LEU A 52 -31.305 -2.461 -19.453 1.00 8.24 H new ATOM 794 N THR A 53 -28.215 -2.237 -14.599 1.00 6.46 N ATOM 795 CA THR A 53 -27.542 -1.006 -14.223 1.00 6.53 C ATOM 796 C THR A 53 -26.859 -1.179 -12.864 1.00 6.07 C ATOM 797 O THR A 53 -27.037 -0.382 -11.941 1.00 5.77 O ATOM 798 CB THR A 53 -28.533 0.189 -14.202 1.00 6.80 C ATOM 799 OG1 THR A 53 -27.866 1.391 -13.796 1.00 7.02 O ATOM 800 CG2 THR A 53 -29.717 -0.084 -13.281 1.00 7.27 C ATOM 0 H THR A 53 -28.272 -2.927 -13.850 1.00 6.46 H new ATOM 0 HA THR A 53 -26.780 -0.784 -14.970 1.00 6.53 H new ATOM 0 HB THR A 53 -28.912 0.317 -15.216 1.00 6.80 H new ATOM 0 HG1 THR A 53 -27.489 1.269 -12.900 1.00 7.02 H new ATOM 0 HG21 THR A 53 -30.390 0.773 -13.290 1.00 7.27 H new ATOM 0 HG22 THR A 53 -30.251 -0.969 -13.627 1.00 7.27 H new ATOM 0 HG23 THR A 53 -29.357 -0.252 -12.266 1.00 7.27 H new ATOM 808 N MET A 54 -26.081 -2.248 -12.747 1.00 6.16 N ATOM 809 CA MET A 54 -25.386 -2.553 -11.503 1.00 5.89 C ATOM 810 C MET A 54 -24.165 -1.655 -11.335 1.00 5.95 C ATOM 811 O MET A 54 -23.247 -1.685 -12.155 1.00 6.39 O ATOM 812 CB MET A 54 -24.965 -4.025 -11.471 1.00 6.24 C ATOM 813 CG MET A 54 -24.238 -4.421 -10.192 1.00 6.48 C ATOM 814 SD MET A 54 -23.732 -6.151 -10.178 1.00 7.13 S ATOM 815 CE MET A 54 -22.642 -6.196 -11.599 1.00 7.41 C ATOM 0 H MET A 54 -25.916 -2.918 -13.498 1.00 6.16 H new ATOM 0 HA MET A 54 -26.071 -2.366 -10.676 1.00 5.89 H new ATOM 0 HB2 MET A 54 -25.850 -4.651 -11.585 1.00 6.24 H new ATOM 0 HB3 MET A 54 -24.319 -4.229 -12.325 1.00 6.24 H new ATOM 0 HG2 MET A 54 -23.358 -3.790 -10.070 1.00 6.48 H new ATOM 0 HG3 MET A 54 -24.887 -4.231 -9.337 1.00 6.48 H new ATOM 0 HE1 MET A 54 -21.997 -7.072 -11.535 1.00 7.41 H new ATOM 0 HE2 MET A 54 -23.236 -6.248 -12.512 1.00 7.41 H new ATOM 0 HE3 MET A 54 -22.029 -5.295 -11.616 1.00 7.41 H new ATOM 825 N PRO A 55 -24.146 -0.846 -10.271 1.00 5.59 N ATOM 826 CA PRO A 55 -23.048 0.074 -9.996 1.00 5.72 C ATOM 827 C PRO A 55 -21.921 -0.592 -9.208 1.00 5.89 C ATOM 828 O PRO A 55 -22.086 -1.693 -8.671 1.00 5.88 O ATOM 829 CB PRO A 55 -23.728 1.150 -9.154 1.00 5.35 C ATOM 830 CG PRO A 55 -24.787 0.424 -8.394 1.00 5.07 C ATOM 831 CD PRO A 55 -25.195 -0.760 -9.240 1.00 5.14 C ATOM 0 HA PRO A 55 -22.573 0.447 -10.903 1.00 5.72 H new ATOM 0 HB2 PRO A 55 -23.019 1.633 -8.482 1.00 5.35 H new ATOM 0 HB3 PRO A 55 -24.156 1.932 -9.781 1.00 5.35 H new ATOM 0 HG2 PRO A 55 -24.412 0.096 -7.425 1.00 5.07 H new ATOM 0 HG3 PRO A 55 -25.640 1.075 -8.202 1.00 5.07 H new ATOM 0 HD2 PRO A 55 -25.247 -1.674 -8.648 1.00 5.14 H new ATOM 0 HD3 PRO A 55 -26.179 -0.612 -9.685 1.00 5.14 H new ATOM 839 N GLY A 56 -20.778 0.080 -9.146 1.00 6.30 N ATOM 840 CA GLY A 56 -19.662 -0.417 -8.368 1.00 6.57 C ATOM 841 C GLY A 56 -19.756 0.018 -6.925 1.00 6.46 C ATOM 842 O GLY A 56 -19.707 1.212 -6.627 1.00 6.63 O ATOM 0 H GLY A 56 -20.605 0.964 -9.624 1.00 6.30 H new ATOM 0 HA2 GLY A 56 -19.637 -1.505 -8.420 1.00 6.57 H new ATOM 0 HA3 GLY A 56 -18.728 -0.056 -8.798 1.00 6.57 H new ATOM 846 N TYR A 57 -19.906 -0.950 -6.033 1.00 6.36 N ATOM 847 CA TYR A 57 -20.088 -0.665 -4.615 1.00 6.35 C ATOM 848 C TYR A 57 -18.816 -0.088 -3.998 1.00 6.52 C ATOM 849 O TYR A 57 -17.703 -0.517 -4.316 1.00 6.67 O ATOM 850 CB TYR A 57 -20.525 -1.931 -3.862 1.00 6.28 C ATOM 851 CG TYR A 57 -19.551 -3.086 -3.954 1.00 6.80 C ATOM 852 CD1 TYR A 57 -19.481 -3.875 -5.097 1.00 7.33 C ATOM 853 CD2 TYR A 57 -18.704 -3.390 -2.894 1.00 7.08 C ATOM 854 CE1 TYR A 57 -18.597 -4.931 -5.179 1.00 8.03 C ATOM 855 CE2 TYR A 57 -17.817 -4.445 -2.971 1.00 7.82 C ATOM 856 CZ TYR A 57 -17.768 -5.212 -4.115 1.00 8.26 C ATOM 857 OH TYR A 57 -16.884 -6.265 -4.196 1.00 9.15 O ATOM 0 H TYR A 57 -19.905 -1.943 -6.266 1.00 6.36 H new ATOM 0 HA TYR A 57 -20.874 0.084 -4.523 1.00 6.35 H new ATOM 0 HB2 TYR A 57 -20.673 -1.680 -2.812 1.00 6.28 H new ATOM 0 HB3 TYR A 57 -21.490 -2.255 -4.252 1.00 6.28 H new ATOM 0 HD1 TYR A 57 -20.129 -3.658 -5.933 1.00 7.33 H new ATOM 0 HD2 TYR A 57 -18.741 -2.791 -1.996 1.00 7.08 H new ATOM 0 HE1 TYR A 57 -18.555 -5.535 -6.073 1.00 8.03 H new ATOM 0 HE2 TYR A 57 -17.165 -4.668 -2.139 1.00 7.82 H new ATOM 0 HH TYR A 57 -16.372 -6.327 -3.363 1.00 9.15 H new ATOM 867 N GLY A 58 -18.995 0.878 -3.105 1.00 6.69 N ATOM 868 CA GLY A 58 -17.870 1.565 -2.502 1.00 6.92 C ATOM 869 C GLY A 58 -17.310 0.825 -1.305 1.00 6.80 C ATOM 870 O GLY A 58 -17.482 1.253 -0.161 1.00 6.92 O ATOM 0 H GLY A 58 -19.909 1.200 -2.786 1.00 6.69 H new ATOM 0 HA2 GLY A 58 -17.084 1.691 -3.247 1.00 6.92 H new ATOM 0 HA3 GLY A 58 -18.181 2.563 -2.195 1.00 6.92 H new ATOM 874 N GLY A 59 -16.652 -0.291 -1.563 1.00 6.87 N ATOM 875 CA GLY A 59 -16.041 -1.059 -0.500 1.00 7.00 C ATOM 876 C GLY A 59 -14.970 -1.983 -1.033 1.00 7.03 C ATOM 877 O GLY A 59 -15.132 -3.202 -1.026 1.00 7.34 O ATOM 0 H GLY A 59 -16.529 -0.682 -2.497 1.00 6.87 H new ATOM 0 HA2 GLY A 59 -15.607 -0.383 0.236 1.00 7.00 H new ATOM 0 HA3 GLY A 59 -16.804 -1.643 0.014 1.00 7.00 H new ATOM 881 N ALA A 60 -13.878 -1.398 -1.505 1.00 7.00 N ATOM 882 CA ALA A 60 -12.805 -2.171 -2.108 1.00 7.26 C ATOM 883 C ALA A 60 -11.690 -2.434 -1.102 1.00 6.98 C ATOM 884 O ALA A 60 -11.387 -3.583 -0.784 1.00 7.45 O ATOM 885 CB ALA A 60 -12.252 -1.455 -3.329 1.00 7.80 C ATOM 0 H ALA A 60 -13.713 -0.392 -1.481 1.00 7.00 H new ATOM 0 HA ALA A 60 -13.217 -3.130 -2.421 1.00 7.26 H new ATOM 0 HB1 ALA A 60 -11.450 -2.049 -3.767 1.00 7.80 H new ATOM 0 HB2 ALA A 60 -13.046 -1.321 -4.063 1.00 7.80 H new ATOM 0 HB3 ALA A 60 -11.863 -0.481 -3.034 1.00 7.80 H new ATOM 891 N ALA A 61 -11.088 -1.364 -0.605 1.00 6.50 N ATOM 892 CA ALA A 61 -9.981 -1.473 0.332 1.00 6.49 C ATOM 893 C ALA A 61 -10.106 -0.416 1.421 1.00 6.14 C ATOM 894 O ALA A 61 -10.630 0.672 1.178 1.00 6.28 O ATOM 895 CB ALA A 61 -8.651 -1.329 -0.396 1.00 6.73 C ATOM 0 H ALA A 61 -11.350 -0.406 -0.837 1.00 6.50 H new ATOM 0 HA ALA A 61 -10.015 -2.458 0.797 1.00 6.49 H new ATOM 0 HB1 ALA A 61 -7.833 -1.413 0.320 1.00 6.73 H new ATOM 0 HB2 ALA A 61 -8.559 -2.115 -1.145 1.00 6.73 H new ATOM 0 HB3 ALA A 61 -8.607 -0.355 -0.884 1.00 6.73 H new ATOM 901 N SER A 62 -9.653 -0.750 2.621 1.00 6.05 N ATOM 902 CA SER A 62 -9.704 0.175 3.740 1.00 6.07 C ATOM 903 C SER A 62 -8.440 1.033 3.802 1.00 5.77 C ATOM 904 O SER A 62 -7.326 0.514 3.957 1.00 5.85 O ATOM 905 CB SER A 62 -9.892 -0.598 5.050 1.00 6.77 C ATOM 906 OG SER A 62 -8.925 -1.630 5.177 1.00 7.03 O ATOM 0 H SER A 62 -9.245 -1.658 2.843 1.00 6.05 H new ATOM 0 HA SER A 62 -10.554 0.842 3.596 1.00 6.07 H new ATOM 0 HB2 SER A 62 -9.811 0.086 5.895 1.00 6.77 H new ATOM 0 HB3 SER A 62 -10.893 -1.027 5.082 1.00 6.77 H new ATOM 0 HG SER A 62 -8.064 -1.316 4.830 1.00 7.03 H new ATOM 912 N ALA A 63 -8.616 2.337 3.659 1.00 5.78 N ATOM 913 CA ALA A 63 -7.517 3.280 3.757 1.00 5.81 C ATOM 914 C ALA A 63 -7.744 4.228 4.930 1.00 5.84 C ATOM 915 O ALA A 63 -8.046 5.410 4.745 1.00 6.18 O ATOM 916 CB ALA A 63 -7.366 4.057 2.458 1.00 6.23 C ATOM 0 H ALA A 63 -9.521 2.769 3.473 1.00 5.78 H new ATOM 0 HA ALA A 63 -6.594 2.728 3.931 1.00 5.81 H new ATOM 0 HB1 ALA A 63 -6.538 4.760 2.549 1.00 6.23 H new ATOM 0 HB2 ALA A 63 -7.166 3.364 1.641 1.00 6.23 H new ATOM 0 HB3 ALA A 63 -8.286 4.605 2.253 1.00 6.23 H new ATOM 922 N GLY A 64 -7.631 3.690 6.136 1.00 5.88 N ATOM 923 CA GLY A 64 -7.812 4.494 7.331 1.00 6.25 C ATOM 924 C GLY A 64 -6.665 4.329 8.304 1.00 6.50 C ATOM 925 O GLY A 64 -6.243 5.286 8.953 1.00 7.09 O ATOM 0 H GLY A 64 -7.417 2.708 6.310 1.00 5.88 H new ATOM 0 HA2 GLY A 64 -7.902 5.544 7.052 1.00 6.25 H new ATOM 0 HA3 GLY A 64 -8.745 4.213 7.819 1.00 6.25 H new ATOM 929 N ALA A 65 -6.159 3.109 8.403 1.00 6.31 N ATOM 930 CA ALA A 65 -5.030 2.822 9.266 1.00 6.70 C ATOM 931 C ALA A 65 -3.770 2.654 8.430 1.00 6.52 C ATOM 932 O ALA A 65 -3.709 1.798 7.544 1.00 6.63 O ATOM 933 CB ALA A 65 -5.294 1.577 10.099 1.00 7.10 C ATOM 0 H ALA A 65 -6.516 2.301 7.893 1.00 6.31 H new ATOM 0 HA ALA A 65 -4.888 3.659 9.950 1.00 6.70 H new ATOM 0 HB1 ALA A 65 -4.435 1.379 10.740 1.00 7.10 H new ATOM 0 HB2 ALA A 65 -6.179 1.733 10.716 1.00 7.10 H new ATOM 0 HB3 ALA A 65 -5.458 0.725 9.439 1.00 7.10 H new ATOM 939 N SER A 66 -2.776 3.480 8.700 1.00 6.56 N ATOM 940 CA SER A 66 -1.530 3.431 7.963 1.00 6.64 C ATOM 941 C SER A 66 -0.654 2.301 8.485 1.00 6.65 C ATOM 942 O SER A 66 0.158 2.494 9.393 1.00 7.09 O ATOM 943 CB SER A 66 -0.804 4.771 8.075 1.00 7.21 C ATOM 944 OG SER A 66 -1.634 5.834 7.633 1.00 7.60 O ATOM 0 H SER A 66 -2.809 4.195 9.427 1.00 6.56 H new ATOM 0 HA SER A 66 -1.746 3.240 6.912 1.00 6.64 H new ATOM 0 HB2 SER A 66 -0.506 4.943 9.109 1.00 7.21 H new ATOM 0 HB3 SER A 66 0.109 4.746 7.480 1.00 7.21 H new ATOM 0 HG SER A 66 -1.150 6.682 7.715 1.00 7.60 H new ATOM 950 N VAL A 67 -0.854 1.113 7.937 1.00 6.47 N ATOM 951 CA VAL A 67 -0.046 -0.037 8.297 1.00 6.78 C ATOM 952 C VAL A 67 1.337 0.096 7.678 1.00 6.57 C ATOM 953 O VAL A 67 2.337 0.162 8.394 1.00 6.79 O ATOM 954 CB VAL A 67 -0.699 -1.360 7.832 1.00 7.44 C ATOM 955 CG1 VAL A 67 0.144 -2.558 8.242 1.00 7.83 C ATOM 956 CG2 VAL A 67 -2.109 -1.479 8.386 1.00 8.01 C ATOM 0 H VAL A 67 -1.572 0.921 7.239 1.00 6.47 H new ATOM 0 HA VAL A 67 0.033 -0.065 9.384 1.00 6.78 H new ATOM 0 HB VAL A 67 -0.755 -1.348 6.744 1.00 7.44 H new ATOM 0 HG11 VAL A 67 -0.338 -3.475 7.903 1.00 7.83 H new ATOM 0 HG12 VAL A 67 1.133 -2.479 7.790 1.00 7.83 H new ATOM 0 HG13 VAL A 67 0.242 -2.580 9.327 1.00 7.83 H new ATOM 0 HG21 VAL A 67 -2.554 -2.415 8.049 1.00 8.01 H new ATOM 0 HG22 VAL A 67 -2.074 -1.465 9.475 1.00 8.01 H new ATOM 0 HG23 VAL A 67 -2.711 -0.643 8.031 1.00 8.01 H new ATOM 966 N PHE A 68 1.365 0.178 6.347 1.00 6.43 N ATOM 967 CA PHE A 68 2.606 0.332 5.587 1.00 6.47 C ATOM 968 C PHE A 68 3.611 -0.746 5.982 1.00 6.31 C ATOM 969 O PHE A 68 4.490 -0.519 6.816 1.00 6.38 O ATOM 970 CB PHE A 68 3.194 1.731 5.805 1.00 6.80 C ATOM 971 CG PHE A 68 4.259 2.106 4.813 1.00 6.98 C ATOM 972 CD1 PHE A 68 3.914 2.606 3.568 1.00 7.33 C ATOM 973 CD2 PHE A 68 5.601 1.961 5.124 1.00 7.16 C ATOM 974 CE1 PHE A 68 4.886 2.954 2.651 1.00 7.87 C ATOM 975 CE2 PHE A 68 6.578 2.307 4.210 1.00 7.69 C ATOM 976 CZ PHE A 68 6.219 2.804 2.971 1.00 8.06 C ATOM 0 H PHE A 68 0.528 0.140 5.766 1.00 6.43 H new ATOM 0 HA PHE A 68 2.382 0.216 4.527 1.00 6.47 H new ATOM 0 HB2 PHE A 68 2.389 2.464 5.754 1.00 6.80 H new ATOM 0 HB3 PHE A 68 3.612 1.786 6.810 1.00 6.80 H new ATOM 0 HD1 PHE A 68 2.872 2.725 3.311 1.00 7.33 H new ATOM 0 HD2 PHE A 68 5.887 1.574 6.091 1.00 7.16 H new ATOM 0 HE1 PHE A 68 4.603 3.343 1.684 1.00 7.87 H new ATOM 0 HE2 PHE A 68 7.621 2.189 4.463 1.00 7.69 H new ATOM 0 HZ PHE A 68 6.981 3.074 2.255 1.00 8.06 H new ATOM 986 N GLY A 69 3.472 -1.918 5.382 1.00 6.44 N ATOM 987 CA GLY A 69 4.303 -3.048 5.756 1.00 6.62 C ATOM 988 C GLY A 69 5.715 -2.953 5.213 1.00 6.34 C ATOM 989 O GLY A 69 6.046 -3.584 4.208 1.00 6.59 O ATOM 0 H GLY A 69 2.798 -2.109 4.641 1.00 6.44 H new ATOM 0 HA2 GLY A 69 4.342 -3.119 6.843 1.00 6.62 H new ATOM 0 HA3 GLY A 69 3.842 -3.967 5.393 1.00 6.62 H new ATOM 993 N ALA A 70 6.552 -2.176 5.887 1.00 6.06 N ATOM 994 CA ALA A 70 7.939 -2.009 5.488 1.00 5.92 C ATOM 995 C ALA A 70 8.807 -3.094 6.116 1.00 5.81 C ATOM 996 O ALA A 70 9.747 -2.808 6.857 1.00 5.53 O ATOM 997 CB ALA A 70 8.440 -0.625 5.879 1.00 6.12 C ATOM 0 H ALA A 70 6.289 -1.648 6.719 1.00 6.06 H new ATOM 0 HA ALA A 70 8.004 -2.104 4.404 1.00 5.92 H new ATOM 0 HB1 ALA A 70 9.481 -0.515 5.574 1.00 6.12 H new ATOM 0 HB2 ALA A 70 7.834 0.134 5.384 1.00 6.12 H new ATOM 0 HB3 ALA A 70 8.364 -0.502 6.959 1.00 6.12 H new ATOM 1003 N SER A 71 8.468 -4.342 5.830 1.00 6.37 N ATOM 1004 CA SER A 71 9.208 -5.476 6.360 1.00 6.69 C ATOM 1005 C SER A 71 10.589 -5.558 5.714 1.00 6.62 C ATOM 1006 O SER A 71 11.564 -5.968 6.349 1.00 7.18 O ATOM 1007 CB SER A 71 8.424 -6.763 6.112 1.00 7.32 C ATOM 1008 OG SER A 71 7.078 -6.628 6.546 1.00 7.65 O ATOM 0 H SER A 71 7.682 -4.595 5.231 1.00 6.37 H new ATOM 0 HA SER A 71 9.341 -5.344 7.434 1.00 6.69 H new ATOM 0 HB2 SER A 71 8.445 -7.008 5.050 1.00 7.32 H new ATOM 0 HB3 SER A 71 8.899 -7.590 6.639 1.00 7.32 H new ATOM 0 HG SER A 71 6.594 -7.463 6.376 1.00 7.65 H new ATOM 1014 N GLY A 72 10.664 -5.156 4.452 1.00 6.18 N ATOM 1015 CA GLY A 72 11.928 -5.135 3.749 1.00 6.25 C ATOM 1016 C GLY A 72 12.391 -3.722 3.464 1.00 5.97 C ATOM 1017 O GLY A 72 13.401 -3.273 4.009 1.00 6.22 O ATOM 0 H GLY A 72 9.865 -4.842 3.901 1.00 6.18 H new ATOM 0 HA2 GLY A 72 12.682 -5.652 4.342 1.00 6.25 H new ATOM 0 HA3 GLY A 72 11.831 -5.682 2.811 1.00 6.25 H new ATOM 1021 N LEU A 73 11.630 -3.027 2.622 1.00 5.83 N ATOM 1022 CA LEU A 73 11.929 -1.648 2.227 1.00 5.94 C ATOM 1023 C LEU A 73 13.330 -1.541 1.609 1.00 5.82 C ATOM 1024 O LEU A 73 13.508 -1.794 0.418 1.00 6.29 O ATOM 1025 CB LEU A 73 11.782 -0.698 3.429 1.00 6.31 C ATOM 1026 CG LEU A 73 11.233 0.703 3.115 1.00 6.87 C ATOM 1027 CD1 LEU A 73 12.139 1.447 2.147 1.00 7.29 C ATOM 1028 CD2 LEU A 73 9.822 0.602 2.559 1.00 6.85 C ATOM 0 H LEU A 73 10.785 -3.403 2.192 1.00 5.83 H new ATOM 0 HA LEU A 73 11.208 -1.349 1.466 1.00 5.94 H new ATOM 0 HB2 LEU A 73 11.126 -1.169 4.161 1.00 6.31 H new ATOM 0 HB3 LEU A 73 12.758 -0.587 3.901 1.00 6.31 H new ATOM 0 HG LEU A 73 11.204 1.272 4.044 1.00 6.87 H new ATOM 0 HD11 LEU A 73 11.723 2.434 1.945 1.00 7.29 H new ATOM 0 HD12 LEU A 73 13.131 1.554 2.586 1.00 7.29 H new ATOM 0 HD13 LEU A 73 12.213 0.887 1.215 1.00 7.29 H new ATOM 0 HD21 LEU A 73 9.445 1.601 2.341 1.00 6.85 H new ATOM 0 HD22 LEU A 73 9.833 0.010 1.644 1.00 6.85 H new ATOM 0 HD23 LEU A 73 9.175 0.122 3.293 1.00 6.85 H new ATOM 1040 N ASP A 74 14.316 -1.189 2.427 1.00 5.46 N ATOM 1041 CA ASP A 74 15.694 -1.037 1.970 1.00 5.52 C ATOM 1042 C ASP A 74 16.654 -1.505 3.042 1.00 5.36 C ATOM 1043 O ASP A 74 16.299 -1.575 4.219 1.00 5.45 O ATOM 1044 CB ASP A 74 16.004 0.423 1.620 1.00 5.72 C ATOM 1045 CG ASP A 74 15.830 0.732 0.146 1.00 6.00 C ATOM 1046 OD1 ASP A 74 16.723 0.378 -0.649 1.00 6.55 O ATOM 1047 OD2 ASP A 74 14.811 1.356 -0.221 1.00 5.97 O ATOM 0 H ASP A 74 14.184 -1.002 3.421 1.00 5.46 H new ATOM 0 HA ASP A 74 15.815 -1.646 1.074 1.00 5.52 H new ATOM 0 HB2 ASP A 74 15.353 1.076 2.201 1.00 5.72 H new ATOM 0 HB3 ASP A 74 17.028 0.651 1.914 1.00 5.72 H new ATOM 1052 N ASN A 75 17.868 -1.824 2.626 1.00 5.42 N ATOM 1053 CA ASN A 75 18.912 -2.245 3.548 1.00 5.53 C ATOM 1054 C ASN A 75 20.245 -1.638 3.120 1.00 5.17 C ATOM 1055 O ASN A 75 21.308 -2.248 3.253 1.00 5.23 O ATOM 1056 CB ASN A 75 19.006 -3.775 3.587 1.00 6.23 C ATOM 1057 CG ASN A 75 19.791 -4.281 4.786 1.00 6.80 C ATOM 1058 OD1 ASN A 75 19.786 -3.668 5.854 1.00 6.88 O ATOM 1059 ND2 ASN A 75 20.473 -5.402 4.615 1.00 7.51 N ATOM 0 H ASN A 75 18.157 -1.799 1.648 1.00 5.42 H new ATOM 0 HA ASN A 75 18.667 -1.895 4.551 1.00 5.53 H new ATOM 0 HB2 ASN A 75 18.001 -4.197 3.611 1.00 6.23 H new ATOM 0 HB3 ASN A 75 19.479 -4.130 2.671 1.00 6.23 H new ATOM 0 HD21 ASN A 75 21.021 -5.788 5.384 1.00 7.51 H new ATOM 0 HD22 ASN A 75 20.451 -5.880 3.714 1.00 7.51 H new ATOM 1066 N GLN A 76 20.170 -0.429 2.577 1.00 5.05 N ATOM 1067 CA GLN A 76 21.350 0.294 2.123 1.00 4.93 C ATOM 1068 C GLN A 76 22.126 0.825 3.325 1.00 4.67 C ATOM 1069 O GLN A 76 21.525 1.227 4.326 1.00 4.88 O ATOM 1070 CB GLN A 76 20.932 1.465 1.221 1.00 5.47 C ATOM 1071 CG GLN A 76 22.102 2.187 0.574 1.00 5.74 C ATOM 1072 CD GLN A 76 21.710 3.525 -0.021 1.00 6.61 C ATOM 1073 OE1 GLN A 76 21.351 3.619 -1.194 1.00 7.14 O ATOM 1074 NE2 GLN A 76 21.768 4.571 0.790 1.00 7.04 N ATOM 0 H GLN A 76 19.294 0.075 2.440 1.00 5.05 H new ATOM 0 HA GLN A 76 21.986 -0.386 1.556 1.00 4.93 H new ATOM 0 HB2 GLN A 76 20.270 1.092 0.440 1.00 5.47 H new ATOM 0 HB3 GLN A 76 20.357 2.179 1.811 1.00 5.47 H new ATOM 0 HG2 GLN A 76 22.884 2.340 1.317 1.00 5.74 H new ATOM 0 HG3 GLN A 76 22.525 1.556 -0.208 1.00 5.74 H new ATOM 0 HE21 GLN A 76 22.071 4.451 1.756 1.00 7.04 H new ATOM 0 HE22 GLN A 76 21.510 5.497 0.448 1.00 7.04 H new ATOM 1083 N PRO A 77 23.471 0.806 3.250 1.00 4.45 N ATOM 1084 CA PRO A 77 24.335 1.389 4.280 1.00 4.52 C ATOM 1085 C PRO A 77 23.987 2.842 4.568 1.00 5.11 C ATOM 1086 O PRO A 77 23.303 3.496 3.775 1.00 5.41 O ATOM 1087 CB PRO A 77 25.725 1.311 3.656 1.00 4.27 C ATOM 1088 CG PRO A 77 25.651 0.170 2.727 1.00 4.17 C ATOM 1089 CD PRO A 77 24.261 0.202 2.164 1.00 4.44 C ATOM 0 HA PRO A 77 24.239 0.867 5.232 1.00 4.52 H new ATOM 0 HB2 PRO A 77 25.977 2.233 3.132 1.00 4.27 H new ATOM 0 HB3 PRO A 77 26.492 1.156 4.415 1.00 4.27 H new ATOM 0 HG2 PRO A 77 26.397 0.258 1.937 1.00 4.17 H new ATOM 0 HG3 PRO A 77 25.844 -0.770 3.244 1.00 4.17 H new ATOM 0 HD2 PRO A 77 24.210 0.795 1.251 1.00 4.44 H new ATOM 0 HD3 PRO A 77 23.905 -0.797 1.915 1.00 4.44 H new ATOM 1097 N PRO A 78 24.481 3.378 5.691 1.00 5.63 N ATOM 1098 CA PRO A 78 24.217 4.755 6.087 1.00 6.52 C ATOM 1099 C PRO A 78 24.802 5.727 5.076 1.00 6.80 C ATOM 1100 O PRO A 78 26.022 5.835 4.938 1.00 6.74 O ATOM 1101 CB PRO A 78 24.912 4.880 7.449 1.00 7.14 C ATOM 1102 CG PRO A 78 25.948 3.818 7.434 1.00 6.55 C ATOM 1103 CD PRO A 78 25.360 2.693 6.649 1.00 5.69 C ATOM 0 HA PRO A 78 23.154 4.989 6.138 1.00 6.52 H new ATOM 0 HB2 PRO A 78 25.356 5.867 7.579 1.00 7.14 H new ATOM 0 HB3 PRO A 78 24.208 4.737 8.269 1.00 7.14 H new ATOM 0 HG2 PRO A 78 26.870 4.176 6.975 1.00 6.55 H new ATOM 0 HG3 PRO A 78 26.198 3.501 8.446 1.00 6.55 H new ATOM 0 HD2 PRO A 78 26.129 2.109 6.144 1.00 5.69 H new ATOM 0 HD3 PRO A 78 24.804 2.005 7.286 1.00 5.69 H new ATOM 1111 N GLU A 79 23.922 6.409 4.354 1.00 7.24 N ATOM 1112 CA GLU A 79 24.319 7.347 3.321 1.00 7.85 C ATOM 1113 C GLU A 79 25.199 8.442 3.897 1.00 8.62 C ATOM 1114 O GLU A 79 26.011 9.028 3.188 1.00 8.98 O ATOM 1115 CB GLU A 79 23.086 7.950 2.664 1.00 8.51 C ATOM 1116 CG GLU A 79 22.258 8.809 3.599 1.00 9.18 C ATOM 1117 CD GLU A 79 20.892 9.125 3.035 1.00 9.68 C ATOM 1118 OE1 GLU A 79 20.019 8.229 3.038 1.00 10.13 O ATOM 1119 OE2 GLU A 79 20.678 10.272 2.596 1.00 9.76 O ATOM 0 H GLU A 79 22.912 6.325 4.471 1.00 7.24 H new ATOM 0 HA GLU A 79 24.895 6.809 2.568 1.00 7.85 H new ATOM 0 HB2 GLU A 79 23.397 8.553 1.811 1.00 8.51 H new ATOM 0 HB3 GLU A 79 22.462 7.145 2.275 1.00 8.51 H new ATOM 0 HG2 GLU A 79 22.144 8.296 4.554 1.00 9.18 H new ATOM 0 HG3 GLU A 79 22.789 9.739 3.799 1.00 9.18 H new ATOM 1126 N GLU A 80 25.035 8.707 5.184 1.00 9.00 N ATOM 1127 CA GLU A 80 25.917 9.619 5.881 1.00 9.80 C ATOM 1128 C GLU A 80 27.348 9.101 5.823 1.00 9.30 C ATOM 1129 O GLU A 80 28.267 9.815 5.433 1.00 9.74 O ATOM 1130 CB GLU A 80 25.473 9.787 7.334 1.00 10.33 C ATOM 1131 CG GLU A 80 26.618 10.056 8.294 1.00 10.80 C ATOM 1132 CD GLU A 80 26.154 10.347 9.701 1.00 11.40 C ATOM 1133 OE1 GLU A 80 26.000 9.394 10.489 1.00 11.78 O ATOM 1134 OE2 GLU A 80 25.968 11.536 10.033 1.00 11.61 O ATOM 0 H GLU A 80 24.299 8.302 5.763 1.00 9.00 H new ATOM 0 HA GLU A 80 25.872 10.593 5.393 1.00 9.80 H new ATOM 0 HB2 GLU A 80 24.759 10.609 7.394 1.00 10.33 H new ATOM 0 HB3 GLU A 80 24.949 8.886 7.651 1.00 10.33 H new ATOM 0 HG2 GLU A 80 27.283 9.193 8.308 1.00 10.80 H new ATOM 0 HG3 GLU A 80 27.201 10.901 7.928 1.00 10.80 H new ATOM 1141 N ILE A 81 27.517 7.838 6.178 1.00 8.42 N ATOM 1142 CA ILE A 81 28.834 7.243 6.264 1.00 7.96 C ATOM 1143 C ILE A 81 29.412 6.957 4.893 1.00 7.34 C ATOM 1144 O ILE A 81 30.589 7.213 4.662 1.00 7.45 O ATOM 1145 CB ILE A 81 28.826 5.953 7.094 1.00 7.44 C ATOM 1146 CG1 ILE A 81 28.518 6.268 8.557 1.00 8.39 C ATOM 1147 CG2 ILE A 81 30.163 5.251 6.962 1.00 6.94 C ATOM 1148 CD1 ILE A 81 28.438 5.039 9.437 1.00 8.28 C ATOM 0 H ILE A 81 26.752 7.205 6.412 1.00 8.42 H new ATOM 0 HA ILE A 81 29.466 7.976 6.765 1.00 7.96 H new ATOM 0 HB ILE A 81 28.047 5.289 6.720 1.00 7.44 H new ATOM 0 HG12 ILE A 81 29.288 6.934 8.947 1.00 8.39 H new ATOM 0 HG13 ILE A 81 27.572 6.807 8.613 1.00 8.39 H new ATOM 0 HG21 ILE A 81 30.153 4.335 7.553 1.00 6.94 H new ATOM 0 HG22 ILE A 81 30.343 5.005 5.915 1.00 6.94 H new ATOM 0 HG23 ILE A 81 30.955 5.907 7.322 1.00 6.94 H new ATOM 0 HD11 ILE A 81 28.217 5.339 10.461 1.00 8.28 H new ATOM 0 HD12 ILE A 81 27.649 4.381 9.073 1.00 8.28 H new ATOM 0 HD13 ILE A 81 29.391 4.511 9.412 1.00 8.28 H new ATOM 1160 N VAL A 82 28.595 6.431 3.983 1.00 6.83 N ATOM 1161 CA VAL A 82 29.061 6.168 2.632 1.00 6.55 C ATOM 1162 C VAL A 82 29.612 7.463 2.051 1.00 7.54 C ATOM 1163 O VAL A 82 30.629 7.469 1.364 1.00 7.57 O ATOM 1164 CB VAL A 82 27.953 5.601 1.709 1.00 6.32 C ATOM 1165 CG1 VAL A 82 27.303 4.375 2.327 1.00 5.50 C ATOM 1166 CG2 VAL A 82 26.903 6.647 1.382 1.00 7.25 C ATOM 0 H VAL A 82 27.621 6.183 4.157 1.00 6.83 H new ATOM 0 HA VAL A 82 29.835 5.403 2.687 1.00 6.55 H new ATOM 0 HB VAL A 82 28.433 5.307 0.776 1.00 6.32 H new ATOM 0 HG11 VAL A 82 26.529 3.997 1.659 1.00 5.50 H new ATOM 0 HG12 VAL A 82 28.057 3.603 2.482 1.00 5.50 H new ATOM 0 HG13 VAL A 82 26.856 4.644 3.284 1.00 5.50 H new ATOM 0 HG21 VAL A 82 26.144 6.210 0.733 1.00 7.25 H new ATOM 0 HG22 VAL A 82 26.436 6.994 2.304 1.00 7.25 H new ATOM 0 HG23 VAL A 82 27.374 7.489 0.874 1.00 7.25 H new ATOM 1176 N ALA A 83 28.933 8.556 2.389 1.00 8.43 N ATOM 1177 CA ALA A 83 29.341 9.899 2.021 1.00 9.53 C ATOM 1178 C ALA A 83 30.690 10.242 2.631 1.00 9.70 C ATOM 1179 O ALA A 83 31.591 10.714 1.943 1.00 10.09 O ATOM 1180 CB ALA A 83 28.291 10.874 2.500 1.00 10.39 C ATOM 0 H ALA A 83 28.072 8.528 2.934 1.00 8.43 H new ATOM 0 HA ALA A 83 29.440 9.960 0.937 1.00 9.53 H new ATOM 0 HB1 ALA A 83 28.586 11.888 2.230 1.00 10.39 H new ATOM 0 HB2 ALA A 83 27.335 10.637 2.033 1.00 10.39 H new ATOM 0 HB3 ALA A 83 28.194 10.801 3.583 1.00 10.39 H new ATOM 1186 N ILE A 84 30.827 9.987 3.926 1.00 9.53 N ATOM 1187 CA ILE A 84 32.070 10.256 4.639 1.00 9.80 C ATOM 1188 C ILE A 84 33.215 9.471 4.019 1.00 9.04 C ATOM 1189 O ILE A 84 34.302 10.000 3.803 1.00 9.43 O ATOM 1190 CB ILE A 84 31.936 9.880 6.132 1.00 9.84 C ATOM 1191 CG1 ILE A 84 30.911 10.789 6.805 1.00 10.78 C ATOM 1192 CG2 ILE A 84 33.281 9.972 6.839 1.00 10.13 C ATOM 1193 CD1 ILE A 84 30.195 10.140 7.966 1.00 10.71 C ATOM 0 H ILE A 84 30.088 9.592 4.507 1.00 9.53 H new ATOM 0 HA ILE A 84 32.280 11.323 4.561 1.00 9.80 H new ATOM 0 HB ILE A 84 31.593 8.848 6.202 1.00 9.84 H new ATOM 0 HG12 ILE A 84 31.413 11.690 7.157 1.00 10.78 H new ATOM 0 HG13 ILE A 84 30.175 11.103 6.065 1.00 10.78 H new ATOM 0 HG21 ILE A 84 33.160 9.703 7.888 1.00 10.13 H new ATOM 0 HG22 ILE A 84 33.987 9.288 6.368 1.00 10.13 H new ATOM 0 HG23 ILE A 84 33.661 10.991 6.768 1.00 10.13 H new ATOM 0 HD11 ILE A 84 29.483 10.845 8.394 1.00 10.71 H new ATOM 0 HD12 ILE A 84 29.664 9.255 7.617 1.00 10.71 H new ATOM 0 HD13 ILE A 84 30.921 9.851 8.726 1.00 10.71 H new ATOM 1205 N ILE A 85 32.946 8.218 3.698 1.00 8.01 N ATOM 1206 CA ILE A 85 33.944 7.340 3.128 1.00 7.27 C ATOM 1207 C ILE A 85 34.410 7.840 1.764 1.00 7.66 C ATOM 1208 O ILE A 85 35.611 7.916 1.501 1.00 7.73 O ATOM 1209 CB ILE A 85 33.398 5.916 3.005 1.00 6.22 C ATOM 1210 CG1 ILE A 85 33.020 5.393 4.389 1.00 6.07 C ATOM 1211 CG2 ILE A 85 34.418 5.012 2.342 1.00 5.61 C ATOM 1212 CD1 ILE A 85 32.282 4.074 4.371 1.00 5.25 C ATOM 0 H ILE A 85 32.032 7.784 3.826 1.00 8.01 H new ATOM 0 HA ILE A 85 34.802 7.335 3.800 1.00 7.27 H new ATOM 0 HB ILE A 85 32.506 5.925 2.379 1.00 6.22 H new ATOM 0 HG12 ILE A 85 33.927 5.281 4.983 1.00 6.07 H new ATOM 0 HG13 ILE A 85 32.400 6.137 4.890 1.00 6.07 H new ATOM 0 HG21 ILE A 85 34.013 4.003 2.263 1.00 5.61 H new ATOM 0 HG22 ILE A 85 34.647 5.391 1.346 1.00 5.61 H new ATOM 0 HG23 ILE A 85 35.329 4.991 2.940 1.00 5.61 H new ATOM 0 HD11 ILE A 85 32.050 3.773 5.393 1.00 5.25 H new ATOM 0 HD12 ILE A 85 31.356 4.183 3.806 1.00 5.25 H new ATOM 0 HD13 ILE A 85 32.906 3.314 3.901 1.00 5.25 H new ATOM 1224 N THR A 86 33.472 8.197 0.899 1.00 8.07 N ATOM 1225 CA THR A 86 33.840 8.734 -0.404 1.00 8.77 C ATOM 1226 C THR A 86 34.426 10.144 -0.265 1.00 9.82 C ATOM 1227 O THR A 86 35.171 10.606 -1.133 1.00 10.38 O ATOM 1228 CB THR A 86 32.677 8.693 -1.438 1.00 9.14 C ATOM 1229 OG1 THR A 86 33.004 9.452 -2.608 1.00 10.16 O ATOM 1230 CG2 THR A 86 31.365 9.180 -0.858 1.00 9.36 C ATOM 0 H THR A 86 32.469 8.127 1.070 1.00 8.07 H new ATOM 0 HA THR A 86 34.612 8.078 -0.805 1.00 8.77 H new ATOM 0 HB THR A 86 32.547 7.646 -1.713 1.00 9.14 H new ATOM 0 HG1 THR A 86 33.828 9.101 -3.006 1.00 10.16 H new ATOM 0 HG21 THR A 86 30.589 9.130 -1.622 1.00 9.36 H new ATOM 0 HG22 THR A 86 31.084 8.550 -0.014 1.00 9.36 H new ATOM 0 HG23 THR A 86 31.477 10.210 -0.521 1.00 9.36 H new ATOM 1238 N SER A 87 34.123 10.819 0.842 1.00 10.16 N ATOM 1239 CA SER A 87 34.745 12.104 1.140 1.00 11.17 C ATOM 1240 C SER A 87 36.181 11.900 1.631 1.00 10.93 C ATOM 1241 O SER A 87 37.016 12.804 1.548 1.00 11.68 O ATOM 1242 CB SER A 87 33.927 12.877 2.177 1.00 11.77 C ATOM 1243 OG SER A 87 32.607 13.107 1.712 1.00 12.35 O ATOM 0 H SER A 87 33.455 10.499 1.543 1.00 10.16 H new ATOM 0 HA SER A 87 34.772 12.692 0.223 1.00 11.17 H new ATOM 0 HB2 SER A 87 33.895 12.317 3.112 1.00 11.77 H new ATOM 0 HB3 SER A 87 34.412 13.829 2.392 1.00 11.77 H new ATOM 0 HG SER A 87 32.099 12.270 1.743 1.00 12.35 H new ATOM 1249 N MET A 88 36.463 10.698 2.136 1.00 9.91 N ATOM 1250 CA MET A 88 37.816 10.336 2.557 1.00 9.62 C ATOM 1251 C MET A 88 38.704 10.126 1.338 1.00 9.52 C ATOM 1252 O MET A 88 39.924 10.269 1.406 1.00 9.66 O ATOM 1253 CB MET A 88 37.810 9.059 3.403 1.00 8.63 C ATOM 1254 CG MET A 88 37.109 9.184 4.754 1.00 8.93 C ATOM 1255 SD MET A 88 37.902 10.357 5.878 1.00 10.15 S ATOM 1256 CE MET A 88 37.163 11.906 5.364 1.00 10.33 C ATOM 0 H MET A 88 35.772 9.959 2.263 1.00 9.91 H new ATOM 0 HA MET A 88 38.207 11.154 3.163 1.00 9.62 H new ATOM 0 HB2 MET A 88 37.328 8.265 2.832 1.00 8.63 H new ATOM 0 HB3 MET A 88 38.841 8.749 3.573 1.00 8.63 H new ATOM 0 HG2 MET A 88 36.076 9.492 4.590 1.00 8.93 H new ATOM 0 HG3 MET A 88 37.077 8.204 5.229 1.00 8.93 H new ATOM 0 HE1 MET A 88 37.932 12.555 4.946 1.00 10.33 H new ATOM 0 HE2 MET A 88 36.401 11.713 4.609 1.00 10.33 H new ATOM 0 HE3 MET A 88 36.705 12.394 6.224 1.00 10.33 H new ATOM 1266 N GLY A 89 38.075 9.782 0.227 1.00 9.41 N ATOM 1267 CA GLY A 89 38.800 9.556 -1.004 1.00 9.53 C ATOM 1268 C GLY A 89 38.399 8.257 -1.670 1.00 8.82 C ATOM 1269 O GLY A 89 38.977 7.858 -2.680 1.00 9.04 O ATOM 0 H GLY A 89 37.066 9.654 0.156 1.00 9.41 H new ATOM 0 HA2 GLY A 89 38.619 10.385 -1.688 1.00 9.53 H new ATOM 0 HA3 GLY A 89 39.870 9.542 -0.797 1.00 9.53 H new ATOM 1273 N PHE A 90 37.407 7.592 -1.093 1.00 8.10 N ATOM 1274 CA PHE A 90 36.926 6.320 -1.614 1.00 7.50 C ATOM 1275 C PHE A 90 35.685 6.533 -2.465 1.00 8.05 C ATOM 1276 O PHE A 90 35.262 7.666 -2.688 1.00 8.89 O ATOM 1277 CB PHE A 90 36.639 5.370 -0.451 1.00 6.45 C ATOM 1278 CG PHE A 90 37.851 5.134 0.406 1.00 6.07 C ATOM 1279 CD1 PHE A 90 39.057 4.760 -0.168 1.00 5.98 C ATOM 1280 CD2 PHE A 90 37.790 5.292 1.779 1.00 6.07 C ATOM 1281 CE1 PHE A 90 40.177 4.546 0.614 1.00 5.84 C ATOM 1282 CE2 PHE A 90 38.906 5.079 2.566 1.00 5.89 C ATOM 1283 CZ PHE A 90 40.099 4.706 1.982 1.00 5.76 C ATOM 0 H PHE A 90 36.917 7.915 -0.259 1.00 8.10 H new ATOM 0 HA PHE A 90 37.692 5.874 -2.249 1.00 7.50 H new ATOM 0 HB2 PHE A 90 35.838 5.782 0.162 1.00 6.45 H new ATOM 0 HB3 PHE A 90 36.283 4.417 -0.843 1.00 6.45 H new ATOM 0 HD1 PHE A 90 39.122 4.634 -1.239 1.00 5.98 H new ATOM 0 HD2 PHE A 90 36.859 5.585 2.241 1.00 6.07 H new ATOM 0 HE1 PHE A 90 41.110 4.254 0.155 1.00 5.84 H new ATOM 0 HE2 PHE A 90 38.844 5.204 3.637 1.00 5.89 H new ATOM 0 HZ PHE A 90 40.972 4.539 2.596 1.00 5.76 H new ATOM 1293 N GLN A 91 35.120 5.447 -2.956 1.00 7.71 N ATOM 1294 CA GLN A 91 33.890 5.501 -3.722 1.00 8.28 C ATOM 1295 C GLN A 91 32.701 5.258 -2.797 1.00 7.66 C ATOM 1296 O GLN A 91 32.797 4.457 -1.877 1.00 6.72 O ATOM 1297 CB GLN A 91 33.939 4.451 -4.833 1.00 8.59 C ATOM 1298 CG GLN A 91 32.654 4.302 -5.617 1.00 9.30 C ATOM 1299 CD GLN A 91 32.763 3.266 -6.719 1.00 9.79 C ATOM 1300 OE1 GLN A 91 32.077 3.348 -7.734 1.00 10.05 O ATOM 1301 NE2 GLN A 91 33.641 2.289 -6.533 1.00 10.16 N ATOM 0 H GLN A 91 35.498 4.507 -2.836 1.00 7.71 H new ATOM 0 HA GLN A 91 33.777 6.485 -4.177 1.00 8.28 H new ATOM 0 HB2 GLN A 91 34.742 4.709 -5.523 1.00 8.59 H new ATOM 0 HB3 GLN A 91 34.194 3.487 -4.393 1.00 8.59 H new ATOM 0 HG2 GLN A 91 31.848 4.022 -4.938 1.00 9.30 H new ATOM 0 HG3 GLN A 91 32.384 5.264 -6.053 1.00 9.30 H new ATOM 0 HE21 GLN A 91 34.193 2.255 -5.676 1.00 10.16 H new ATOM 0 HE22 GLN A 91 33.764 1.571 -7.247 1.00 10.16 H new ATOM 1310 N ARG A 92 31.602 5.961 -3.032 1.00 8.25 N ATOM 1311 CA ARG A 92 30.388 5.792 -2.233 1.00 7.79 C ATOM 1312 C ARG A 92 29.896 4.354 -2.276 1.00 7.08 C ATOM 1313 O ARG A 92 29.633 3.749 -1.244 1.00 6.21 O ATOM 1314 CB ARG A 92 29.288 6.690 -2.754 1.00 8.69 C ATOM 1315 CG ARG A 92 28.001 6.560 -1.966 1.00 8.30 C ATOM 1316 CD ARG A 92 26.807 6.854 -2.836 1.00 8.98 C ATOM 1317 NE ARG A 92 26.870 8.206 -3.388 1.00 10.14 N ATOM 1318 CZ ARG A 92 25.972 8.726 -4.222 1.00 10.93 C ATOM 1319 NH1 ARG A 92 24.900 8.034 -4.588 1.00 10.74 N ATOM 1320 NH2 ARG A 92 26.149 9.953 -4.685 1.00 11.98 N ATOM 0 H ARG A 92 31.522 6.658 -3.772 1.00 8.25 H new ATOM 0 HA ARG A 92 30.635 6.057 -1.205 1.00 7.79 H new ATOM 0 HB2 ARG A 92 29.625 7.726 -2.722 1.00 8.69 H new ATOM 0 HB3 ARG A 92 29.094 6.450 -3.800 1.00 8.69 H new ATOM 0 HG2 ARG A 92 27.920 5.552 -1.558 1.00 8.30 H new ATOM 0 HG3 ARG A 92 28.017 7.246 -1.119 1.00 8.30 H new ATOM 0 HD2 ARG A 92 26.760 6.129 -3.649 1.00 8.98 H new ATOM 0 HD3 ARG A 92 25.893 6.739 -2.253 1.00 8.98 H new ATOM 0 HE ARG A 92 27.658 8.793 -3.115 1.00 10.14 H new ATOM 0 HH11 ARG A 92 24.755 7.090 -4.229 1.00 10.74 H new ATOM 0 HH12 ARG A 92 24.221 8.446 -5.228 1.00 10.74 H new ATOM 0 HH21 ARG A 92 26.968 10.492 -4.402 1.00 11.98 H new ATOM 0 HH22 ARG A 92 25.467 10.360 -5.324 1.00 11.98 H new ATOM 1334 N ASN A 93 29.747 3.824 -3.481 1.00 7.66 N ATOM 1335 CA ASN A 93 29.323 2.438 -3.669 1.00 7.40 C ATOM 1336 C ASN A 93 30.312 1.482 -3.006 1.00 6.66 C ATOM 1337 O ASN A 93 29.931 0.450 -2.453 1.00 6.20 O ATOM 1338 CB ASN A 93 29.203 2.117 -5.156 1.00 8.50 C ATOM 1339 CG ASN A 93 28.603 0.745 -5.412 1.00 8.62 C ATOM 1340 OD1 ASN A 93 27.743 0.278 -4.661 1.00 8.59 O ATOM 1341 ND2 ASN A 93 29.047 0.090 -6.472 1.00 9.02 N ATOM 0 H ASN A 93 29.914 4.333 -4.349 1.00 7.66 H new ATOM 0 HA ASN A 93 28.347 2.311 -3.201 1.00 7.40 H new ATOM 0 HB2 ASN A 93 28.586 2.875 -5.639 1.00 8.50 H new ATOM 0 HB3 ASN A 93 30.190 2.169 -5.616 1.00 8.50 H new ATOM 0 HD21 ASN A 93 28.677 -0.835 -6.692 1.00 9.02 H new ATOM 0 HD22 ASN A 93 29.759 0.510 -7.069 1.00 9.02 H new ATOM 1348 N GLN A 94 31.582 1.857 -3.050 1.00 6.68 N ATOM 1349 CA GLN A 94 32.635 1.108 -2.383 1.00 6.08 C ATOM 1350 C GLN A 94 32.444 1.192 -0.878 1.00 5.11 C ATOM 1351 O GLN A 94 32.626 0.209 -0.156 1.00 4.70 O ATOM 1352 CB GLN A 94 33.993 1.667 -2.815 1.00 6.39 C ATOM 1353 CG GLN A 94 35.143 1.403 -1.859 1.00 5.72 C ATOM 1354 CD GLN A 94 36.478 1.692 -2.508 1.00 6.13 C ATOM 1355 OE1 GLN A 94 36.973 2.818 -2.459 1.00 6.28 O ATOM 1356 NE2 GLN A 94 37.065 0.679 -3.125 1.00 6.56 N ATOM 0 H GLN A 94 31.910 2.685 -3.547 1.00 6.68 H new ATOM 0 HA GLN A 94 32.593 0.056 -2.664 1.00 6.08 H new ATOM 0 HB2 GLN A 94 34.247 1.245 -3.787 1.00 6.39 H new ATOM 0 HB3 GLN A 94 33.896 2.744 -2.951 1.00 6.39 H new ATOM 0 HG2 GLN A 94 35.028 2.022 -0.969 1.00 5.72 H new ATOM 0 HG3 GLN A 94 35.114 0.364 -1.531 1.00 5.72 H new ATOM 0 HE21 GLN A 94 36.617 -0.237 -3.140 1.00 6.56 H new ATOM 0 HE22 GLN A 94 37.965 0.815 -3.585 1.00 6.56 H new ATOM 1365 N ALA A 95 32.050 2.371 -0.423 1.00 5.10 N ATOM 1366 CA ALA A 95 31.709 2.589 0.964 1.00 4.58 C ATOM 1367 C ALA A 95 30.503 1.742 1.357 1.00 4.24 C ATOM 1368 O ALA A 95 30.469 1.165 2.441 1.00 3.93 O ATOM 1369 CB ALA A 95 31.427 4.063 1.184 1.00 5.22 C ATOM 0 H ALA A 95 31.959 3.201 -1.009 1.00 5.10 H new ATOM 0 HA ALA A 95 32.546 2.289 1.594 1.00 4.58 H new ATOM 0 HB1 ALA A 95 31.169 4.232 2.229 1.00 5.22 H new ATOM 0 HB2 ALA A 95 32.313 4.645 0.930 1.00 5.22 H new ATOM 0 HB3 ALA A 95 30.596 4.373 0.551 1.00 5.22 H new ATOM 1375 N ILE A 96 29.521 1.660 0.454 1.00 4.61 N ATOM 1376 CA ILE A 96 28.345 0.828 0.672 1.00 4.48 C ATOM 1377 C ILE A 96 28.753 -0.626 0.882 1.00 4.45 C ATOM 1378 O ILE A 96 28.379 -1.252 1.872 1.00 4.33 O ATOM 1379 CB ILE A 96 27.338 0.911 -0.507 1.00 5.19 C ATOM 1380 CG1 ILE A 96 26.435 2.134 -0.353 1.00 5.44 C ATOM 1381 CG2 ILE A 96 26.493 -0.351 -0.589 1.00 5.34 C ATOM 1382 CD1 ILE A 96 26.528 3.115 -1.499 1.00 6.39 C ATOM 0 H ILE A 96 29.522 2.162 -0.434 1.00 4.61 H new ATOM 0 HA ILE A 96 27.851 1.209 1.566 1.00 4.48 H new ATOM 0 HB ILE A 96 27.909 1.006 -1.431 1.00 5.19 H new ATOM 0 HG12 ILE A 96 25.402 1.800 -0.257 1.00 5.44 H new ATOM 0 HG13 ILE A 96 26.691 2.648 0.573 1.00 5.44 H new ATOM 0 HG21 ILE A 96 25.796 -0.268 -1.423 1.00 5.34 H new ATOM 0 HG22 ILE A 96 27.141 -1.214 -0.742 1.00 5.34 H new ATOM 0 HG23 ILE A 96 25.936 -0.477 0.339 1.00 5.34 H new ATOM 0 HD11 ILE A 96 25.858 3.954 -1.315 1.00 6.39 H new ATOM 0 HD12 ILE A 96 27.552 3.480 -1.583 1.00 6.39 H new ATOM 0 HD13 ILE A 96 26.242 2.619 -2.427 1.00 6.39 H new ATOM 1394 N GLN A 97 29.541 -1.142 -0.048 1.00 4.95 N ATOM 1395 CA GLN A 97 30.030 -2.513 0.021 1.00 5.42 C ATOM 1396 C GLN A 97 30.784 -2.761 1.319 1.00 5.09 C ATOM 1397 O GLN A 97 30.577 -3.773 1.993 1.00 5.57 O ATOM 1398 CB GLN A 97 30.946 -2.802 -1.153 1.00 6.13 C ATOM 1399 CG GLN A 97 31.505 -4.215 -1.149 1.00 6.88 C ATOM 1400 CD GLN A 97 32.226 -4.564 -2.438 1.00 7.78 C ATOM 1401 OE1 GLN A 97 31.903 -4.043 -3.507 1.00 8.13 O ATOM 1402 NE2 GLN A 97 33.207 -5.449 -2.351 1.00 8.36 N ATOM 0 H GLN A 97 29.859 -0.627 -0.869 1.00 4.95 H new ATOM 0 HA GLN A 97 29.166 -3.177 -0.015 1.00 5.42 H new ATOM 0 HB2 GLN A 97 30.398 -2.639 -2.081 1.00 6.13 H new ATOM 0 HB3 GLN A 97 31.773 -2.092 -1.142 1.00 6.13 H new ATOM 0 HG2 GLN A 97 32.193 -4.327 -0.311 1.00 6.88 H new ATOM 0 HG3 GLN A 97 30.691 -4.923 -0.990 1.00 6.88 H new ATOM 0 HE21 GLN A 97 33.446 -5.859 -1.448 1.00 8.36 H new ATOM 0 HE22 GLN A 97 33.724 -5.721 -3.187 1.00 8.36 H new ATOM 1411 N ALA A 98 31.657 -1.827 1.657 1.00 4.57 N ATOM 1412 CA ALA A 98 32.448 -1.926 2.867 1.00 4.55 C ATOM 1413 C ALA A 98 31.545 -1.989 4.092 1.00 4.70 C ATOM 1414 O ALA A 98 31.674 -2.894 4.911 1.00 5.41 O ATOM 1415 CB ALA A 98 33.403 -0.751 2.961 1.00 4.17 C ATOM 0 H ALA A 98 31.835 -0.988 1.105 1.00 4.57 H new ATOM 0 HA ALA A 98 33.032 -2.846 2.831 1.00 4.55 H new ATOM 0 HB1 ALA A 98 33.993 -0.834 3.874 1.00 4.17 H new ATOM 0 HB2 ALA A 98 34.068 -0.753 2.097 1.00 4.17 H new ATOM 0 HB3 ALA A 98 32.835 0.179 2.980 1.00 4.17 H new ATOM 1421 N LEU A 99 30.609 -1.047 4.193 1.00 4.31 N ATOM 1422 CA LEU A 99 29.669 -1.013 5.310 1.00 4.67 C ATOM 1423 C LEU A 99 28.806 -2.269 5.356 1.00 5.10 C ATOM 1424 O LEU A 99 28.465 -2.746 6.427 1.00 5.77 O ATOM 1425 CB LEU A 99 28.770 0.214 5.220 1.00 4.44 C ATOM 1426 CG LEU A 99 29.480 1.557 5.340 1.00 4.61 C ATOM 1427 CD1 LEU A 99 28.543 2.685 4.982 1.00 4.82 C ATOM 1428 CD2 LEU A 99 30.001 1.750 6.743 1.00 5.40 C ATOM 0 H LEU A 99 30.482 -0.297 3.514 1.00 4.31 H new ATOM 0 HA LEU A 99 30.259 -0.965 6.225 1.00 4.67 H new ATOM 0 HB2 LEU A 99 28.241 0.186 4.267 1.00 4.44 H new ATOM 0 HB3 LEU A 99 28.017 0.149 6.005 1.00 4.44 H new ATOM 0 HG LEU A 99 30.320 1.564 4.645 1.00 4.61 H new ATOM 0 HD11 LEU A 99 29.067 3.636 5.073 1.00 4.82 H new ATOM 0 HD12 LEU A 99 28.197 2.559 3.956 1.00 4.82 H new ATOM 0 HD13 LEU A 99 27.688 2.676 5.658 1.00 4.82 H new ATOM 0 HD21 LEU A 99 30.506 2.713 6.814 1.00 5.40 H new ATOM 0 HD22 LEU A 99 29.169 1.723 7.447 1.00 5.40 H new ATOM 0 HD23 LEU A 99 30.705 0.953 6.983 1.00 5.40 H new ATOM 1440 N ARG A 100 28.446 -2.799 4.195 1.00 5.01 N ATOM 1441 CA ARG A 100 27.690 -4.051 4.126 1.00 5.73 C ATOM 1442 C ARG A 100 28.408 -5.138 4.901 1.00 6.63 C ATOM 1443 O ARG A 100 27.810 -5.863 5.699 1.00 7.33 O ATOM 1444 CB ARG A 100 27.517 -4.497 2.675 1.00 5.96 C ATOM 1445 CG ARG A 100 26.427 -3.753 1.932 1.00 5.58 C ATOM 1446 CD ARG A 100 26.482 -4.043 0.446 1.00 6.19 C ATOM 1447 NE ARG A 100 25.274 -3.585 -0.240 1.00 6.32 N ATOM 1448 CZ ARG A 100 25.072 -3.686 -1.555 1.00 7.08 C ATOM 1449 NH1 ARG A 100 25.987 -4.244 -2.339 1.00 7.71 N ATOM 1450 NH2 ARG A 100 23.936 -3.245 -2.079 1.00 7.36 N ATOM 0 H ARG A 100 28.663 -2.386 3.288 1.00 5.01 H new ATOM 0 HA ARG A 100 26.707 -3.878 4.565 1.00 5.73 H new ATOM 0 HB2 ARG A 100 28.461 -4.361 2.148 1.00 5.96 H new ATOM 0 HB3 ARG A 100 27.293 -5.564 2.657 1.00 5.96 H new ATOM 0 HG2 ARG A 100 25.452 -4.042 2.326 1.00 5.58 H new ATOM 0 HG3 ARG A 100 26.534 -2.681 2.100 1.00 5.58 H new ATOM 0 HD2 ARG A 100 27.354 -3.554 0.012 1.00 6.19 H new ATOM 0 HD3 ARG A 100 26.606 -5.114 0.289 1.00 6.19 H new ATOM 0 HE ARG A 100 24.538 -3.161 0.324 1.00 6.32 H new ATOM 0 HH11 ARG A 100 26.854 -4.600 -1.937 1.00 7.71 H new ATOM 0 HH12 ARG A 100 25.823 -4.316 -3.343 1.00 7.71 H new ATOM 0 HH21 ARG A 100 23.223 -2.832 -1.477 1.00 7.36 H new ATOM 0 HH22 ARG A 100 23.775 -3.319 -3.083 1.00 7.36 H new ATOM 1464 N ALA A 101 29.700 -5.225 4.661 1.00 6.70 N ATOM 1465 CA ALA A 101 30.547 -6.196 5.323 1.00 7.62 C ATOM 1466 C ALA A 101 30.772 -5.838 6.794 1.00 7.91 C ATOM 1467 O ALA A 101 30.743 -6.707 7.666 1.00 8.88 O ATOM 1468 CB ALA A 101 31.870 -6.274 4.587 1.00 7.61 C ATOM 0 H ALA A 101 30.193 -4.624 4.001 1.00 6.70 H new ATOM 0 HA ALA A 101 30.052 -7.167 5.302 1.00 7.62 H new ATOM 0 HB1 ALA A 101 32.516 -7.002 5.077 1.00 7.61 H new ATOM 0 HB2 ALA A 101 31.695 -6.580 3.555 1.00 7.61 H new ATOM 0 HB3 ALA A 101 32.351 -5.296 4.599 1.00 7.61 H new ATOM 1474 N THR A 102 30.990 -4.559 7.066 1.00 7.24 N ATOM 1475 CA THR A 102 31.323 -4.099 8.405 1.00 7.76 C ATOM 1476 C THR A 102 30.089 -3.826 9.263 1.00 8.12 C ATOM 1477 O THR A 102 30.203 -3.357 10.393 1.00 8.79 O ATOM 1478 CB THR A 102 32.185 -2.849 8.303 1.00 7.19 C ATOM 1479 OG1 THR A 102 31.427 -1.762 7.750 1.00 6.44 O ATOM 1480 CG2 THR A 102 33.355 -3.172 7.402 1.00 6.79 C ATOM 0 H THR A 102 30.941 -3.816 6.369 1.00 7.24 H new ATOM 0 HA THR A 102 31.873 -4.898 8.903 1.00 7.76 H new ATOM 0 HB THR A 102 32.531 -2.548 9.292 1.00 7.19 H new ATOM 0 HG1 THR A 102 31.689 -0.925 8.187 1.00 6.44 H new ATOM 0 HG21 THR A 102 33.995 -2.294 7.307 1.00 6.79 H new ATOM 0 HG22 THR A 102 33.928 -3.994 7.831 1.00 6.79 H new ATOM 0 HG23 THR A 102 32.987 -3.461 6.417 1.00 6.79 H new ATOM 1488 N ASN A 103 28.912 -4.121 8.706 1.00 7.78 N ATOM 1489 CA ASN A 103 27.633 -3.927 9.397 1.00 8.03 C ATOM 1490 C ASN A 103 27.387 -2.439 9.663 1.00 7.69 C ATOM 1491 O ASN A 103 27.028 -2.044 10.770 1.00 8.43 O ATOM 1492 CB ASN A 103 27.592 -4.729 10.704 1.00 9.26 C ATOM 1493 CG ASN A 103 26.187 -4.899 11.262 1.00 9.66 C ATOM 1494 OD1 ASN A 103 25.992 -4.993 12.474 1.00 10.09 O ATOM 1495 ND2 ASN A 103 25.203 -4.965 10.379 1.00 9.74 N ATOM 0 H ASN A 103 28.818 -4.501 7.764 1.00 7.78 H new ATOM 0 HA ASN A 103 26.836 -4.295 8.751 1.00 8.03 H new ATOM 0 HB2 ASN A 103 28.029 -5.713 10.532 1.00 9.26 H new ATOM 0 HB3 ASN A 103 28.213 -4.230 11.448 1.00 9.26 H new ATOM 0 HD21 ASN A 103 24.242 -5.098 10.695 1.00 9.74 H new ATOM 0 HD22 ASN A 103 25.405 -4.883 9.383 1.00 9.74 H new ATOM 1502 N ASN A 104 27.606 -1.628 8.625 1.00 6.74 N ATOM 1503 CA ASN A 104 27.412 -0.174 8.677 1.00 6.57 C ATOM 1504 C ASN A 104 28.423 0.490 9.604 1.00 7.31 C ATOM 1505 O ASN A 104 28.244 1.637 10.011 1.00 7.80 O ATOM 1506 CB ASN A 104 25.985 0.196 9.114 1.00 6.81 C ATOM 1507 CG ASN A 104 24.925 -0.315 8.154 1.00 7.28 C ATOM 1508 OD1 ASN A 104 25.169 -0.460 6.955 1.00 7.71 O ATOM 1509 ND2 ASN A 104 23.736 -0.587 8.671 1.00 7.45 N ATOM 0 H ASN A 104 27.926 -1.963 7.716 1.00 6.74 H new ATOM 0 HA ASN A 104 27.569 0.197 7.664 1.00 6.57 H new ATOM 0 HB2 ASN A 104 25.797 -0.212 10.107 1.00 6.81 H new ATOM 0 HB3 ASN A 104 25.904 1.280 9.194 1.00 6.81 H new ATOM 0 HD21 ASN A 104 22.985 -0.929 8.071 1.00 7.45 H new ATOM 0 HD22 ASN A 104 23.571 -0.454 9.669 1.00 7.45 H new ATOM 1516 N ASN A 105 29.488 -0.232 9.932 1.00 7.54 N ATOM 1517 CA ASN A 105 30.564 0.328 10.739 1.00 8.24 C ATOM 1518 C ASN A 105 31.450 1.202 9.864 1.00 7.62 C ATOM 1519 O ASN A 105 32.168 0.706 8.999 1.00 6.99 O ATOM 1520 CB ASN A 105 31.404 -0.780 11.365 1.00 8.91 C ATOM 1521 CG ASN A 105 32.317 -0.258 12.456 1.00 9.80 C ATOM 1522 OD1 ASN A 105 33.408 0.238 12.184 1.00 10.00 O ATOM 1523 ND2 ASN A 105 31.884 -0.378 13.700 1.00 10.49 N ATOM 0 H ASN A 105 29.629 -1.203 9.653 1.00 7.54 H new ATOM 0 HA ASN A 105 30.125 0.925 11.538 1.00 8.24 H new ATOM 0 HB2 ASN A 105 30.745 -1.543 11.779 1.00 8.91 H new ATOM 0 HB3 ASN A 105 32.003 -1.261 10.592 1.00 8.91 H new ATOM 0 HD21 ASN A 105 32.462 -0.053 14.475 1.00 10.49 H new ATOM 0 HD22 ASN A 105 30.972 -0.796 13.884 1.00 10.49 H new ATOM 1530 N LEU A 106 31.376 2.507 10.107 1.00 7.99 N ATOM 1531 CA LEU A 106 32.107 3.507 9.332 1.00 7.70 C ATOM 1532 C LEU A 106 33.597 3.215 9.320 1.00 7.69 C ATOM 1533 O LEU A 106 34.212 3.060 8.267 1.00 6.94 O ATOM 1534 CB LEU A 106 31.858 4.886 9.955 1.00 8.64 C ATOM 1535 CG LEU A 106 32.626 6.067 9.347 1.00 8.79 C ATOM 1536 CD1 LEU A 106 31.787 7.325 9.449 1.00 9.54 C ATOM 1537 CD2 LEU A 106 33.948 6.283 10.062 1.00 9.40 C ATOM 0 H LEU A 106 30.804 2.904 10.852 1.00 7.99 H new ATOM 0 HA LEU A 106 31.753 3.482 8.301 1.00 7.70 H new ATOM 0 HB2 LEU A 106 30.792 5.102 9.887 1.00 8.64 H new ATOM 0 HB3 LEU A 106 32.105 4.830 11.015 1.00 8.64 H new ATOM 0 HG LEU A 106 32.831 5.840 8.301 1.00 8.79 H new ATOM 0 HD11 LEU A 106 32.334 8.163 9.017 1.00 9.54 H new ATOM 0 HD12 LEU A 106 30.852 7.184 8.907 1.00 9.54 H new ATOM 0 HD13 LEU A 106 31.571 7.534 10.497 1.00 9.54 H new ATOM 0 HD21 LEU A 106 34.472 7.126 9.611 1.00 9.40 H new ATOM 0 HD22 LEU A 106 33.762 6.493 11.115 1.00 9.40 H new ATOM 0 HD23 LEU A 106 34.560 5.386 9.973 1.00 9.40 H new ATOM 1549 N GLU A 107 34.160 3.181 10.512 1.00 8.63 N ATOM 1550 CA GLU A 107 35.583 2.933 10.712 1.00 8.84 C ATOM 1551 C GLU A 107 36.034 1.655 10.018 1.00 8.19 C ATOM 1552 O GLU A 107 37.016 1.658 9.279 1.00 7.74 O ATOM 1553 CB GLU A 107 35.880 2.839 12.203 1.00 10.06 C ATOM 1554 CG GLU A 107 35.542 4.106 12.960 1.00 10.88 C ATOM 1555 CD GLU A 107 36.676 5.108 12.963 1.00 11.25 C ATOM 1556 OE1 GLU A 107 37.787 4.758 13.417 1.00 11.82 O ATOM 1557 OE2 GLU A 107 36.465 6.249 12.502 1.00 11.09 O ATOM 0 H GLU A 107 33.642 3.325 11.379 1.00 8.63 H new ATOM 0 HA GLU A 107 36.134 3.765 10.273 1.00 8.84 H new ATOM 0 HB2 GLU A 107 35.316 2.009 12.628 1.00 10.06 H new ATOM 0 HB3 GLU A 107 36.937 2.611 12.343 1.00 10.06 H new ATOM 0 HG2 GLU A 107 34.659 4.565 12.515 1.00 10.88 H new ATOM 0 HG3 GLU A 107 35.285 3.852 13.988 1.00 10.88 H new ATOM 1564 N ARG A 108 35.309 0.570 10.250 1.00 8.29 N ATOM 1565 CA ARG A 108 35.663 -0.716 9.682 1.00 8.02 C ATOM 1566 C ARG A 108 35.443 -0.727 8.182 1.00 6.88 C ATOM 1567 O ARG A 108 36.095 -1.474 7.470 1.00 6.69 O ATOM 1568 CB ARG A 108 34.830 -1.812 10.312 1.00 8.62 C ATOM 1569 CG ARG A 108 35.396 -3.200 10.147 1.00 8.99 C ATOM 1570 CD ARG A 108 34.453 -4.199 10.763 1.00 9.70 C ATOM 1571 NE ARG A 108 34.382 -4.054 12.215 1.00 10.72 N ATOM 1572 CZ ARG A 108 33.462 -4.625 12.988 1.00 11.45 C ATOM 1573 NH1 ARG A 108 32.536 -5.418 12.459 1.00 11.31 N ATOM 1574 NH2 ARG A 108 33.478 -4.407 14.294 1.00 12.41 N ATOM 0 H ARG A 108 34.470 0.558 10.830 1.00 8.29 H new ATOM 0 HA ARG A 108 36.719 -0.891 9.886 1.00 8.02 H new ATOM 0 HB2 ARG A 108 34.721 -1.602 11.376 1.00 8.62 H new ATOM 0 HB3 ARG A 108 33.831 -1.787 9.878 1.00 8.62 H new ATOM 0 HG2 ARG A 108 35.540 -3.423 9.090 1.00 8.99 H new ATOM 0 HG3 ARG A 108 36.374 -3.265 10.623 1.00 8.99 H new ATOM 0 HD2 ARG A 108 33.458 -4.071 10.336 1.00 9.70 H new ATOM 0 HD3 ARG A 108 34.780 -5.209 10.514 1.00 9.70 H new ATOM 0 HE ARG A 108 35.088 -3.474 12.668 1.00 10.72 H new ATOM 0 HH11 ARG A 108 32.527 -5.592 11.454 1.00 11.31 H new ATOM 0 HH12 ARG A 108 31.834 -5.852 13.058 1.00 11.31 H new ATOM 0 HH21 ARG A 108 34.193 -3.804 14.702 1.00 12.41 H new ATOM 0 HH22 ARG A 108 32.775 -4.842 14.892 1.00 12.41 H new ATOM 1588 N ALA A 109 34.496 0.066 7.702 1.00 6.30 N ATOM 1589 CA ALA A 109 34.274 0.177 6.276 1.00 5.34 C ATOM 1590 C ALA A 109 35.520 0.731 5.625 1.00 5.09 C ATOM 1591 O ALA A 109 36.045 0.166 4.677 1.00 4.76 O ATOM 1592 CB ALA A 109 33.100 1.086 5.975 1.00 5.03 C ATOM 0 H ALA A 109 33.876 0.636 8.277 1.00 6.30 H new ATOM 0 HA ALA A 109 34.048 -0.813 5.880 1.00 5.34 H new ATOM 0 HB1 ALA A 109 32.957 1.150 4.896 1.00 5.03 H new ATOM 0 HB2 ALA A 109 32.199 0.682 6.437 1.00 5.03 H new ATOM 0 HB3 ALA A 109 33.298 2.081 6.375 1.00 5.03 H new ATOM 1598 N LEU A 110 35.988 1.839 6.174 1.00 5.51 N ATOM 1599 CA LEU A 110 37.224 2.456 5.736 1.00 5.52 C ATOM 1600 C LEU A 110 38.372 1.482 5.898 1.00 5.67 C ATOM 1601 O LEU A 110 39.241 1.397 5.048 1.00 5.40 O ATOM 1602 CB LEU A 110 37.487 3.700 6.565 1.00 6.35 C ATOM 1603 CG LEU A 110 36.379 4.738 6.515 1.00 6.65 C ATOM 1604 CD1 LEU A 110 36.518 5.714 7.668 1.00 7.78 C ATOM 1605 CD2 LEU A 110 36.410 5.459 5.183 1.00 6.44 C ATOM 0 H LEU A 110 35.521 2.334 6.934 1.00 5.51 H new ATOM 0 HA LEU A 110 37.138 2.730 4.685 1.00 5.52 H new ATOM 0 HB2 LEU A 110 37.643 3.403 7.602 1.00 6.35 H new ATOM 0 HB3 LEU A 110 38.414 4.160 6.222 1.00 6.35 H new ATOM 0 HG LEU A 110 35.415 4.239 6.614 1.00 6.65 H new ATOM 0 HD11 LEU A 110 35.717 6.452 7.619 1.00 7.78 H new ATOM 0 HD12 LEU A 110 36.456 5.173 8.612 1.00 7.78 H new ATOM 0 HD13 LEU A 110 37.481 6.220 7.603 1.00 7.78 H new ATOM 0 HD21 LEU A 110 35.613 6.202 5.153 1.00 6.44 H new ATOM 0 HD22 LEU A 110 37.373 5.954 5.060 1.00 6.44 H new ATOM 0 HD23 LEU A 110 36.266 4.740 4.377 1.00 6.44 H new ATOM 1617 N ASP A 111 38.354 0.762 7.008 1.00 6.32 N ATOM 1618 CA ASP A 111 39.327 -0.299 7.277 1.00 6.81 C ATOM 1619 C ASP A 111 39.304 -1.332 6.153 1.00 6.41 C ATOM 1620 O ASP A 111 40.338 -1.685 5.585 1.00 6.49 O ATOM 1621 CB ASP A 111 38.987 -0.991 8.603 1.00 7.75 C ATOM 1622 CG ASP A 111 40.215 -1.494 9.329 1.00 8.59 C ATOM 1623 OD1 ASP A 111 40.659 -2.625 9.038 1.00 8.94 O ATOM 1624 OD2 ASP A 111 40.748 -0.757 10.186 1.00 9.04 O ATOM 0 H ASP A 111 37.667 0.892 7.751 1.00 6.32 H new ATOM 0 HA ASP A 111 40.320 0.146 7.338 1.00 6.81 H new ATOM 0 HB2 ASP A 111 38.450 -0.293 9.245 1.00 7.75 H new ATOM 0 HB3 ASP A 111 38.315 -1.828 8.410 1.00 7.75 H new ATOM 1629 N TRP A 112 38.098 -1.789 5.840 1.00 6.15 N ATOM 1630 CA TRP A 112 37.859 -2.765 4.791 1.00 6.12 C ATOM 1631 C TRP A 112 38.321 -2.225 3.447 1.00 5.57 C ATOM 1632 O TRP A 112 38.982 -2.915 2.668 1.00 5.97 O ATOM 1633 CB TRP A 112 36.365 -3.095 4.740 1.00 6.03 C ATOM 1634 CG TRP A 112 36.032 -4.247 3.841 1.00 6.48 C ATOM 1635 CD1 TRP A 112 35.567 -4.183 2.556 1.00 6.79 C ATOM 1636 CD2 TRP A 112 36.146 -5.639 4.156 1.00 7.05 C ATOM 1637 NE1 TRP A 112 35.382 -5.451 2.058 1.00 7.45 N ATOM 1638 CE2 TRP A 112 35.732 -6.362 3.024 1.00 7.60 C ATOM 1639 CE3 TRP A 112 36.562 -6.346 5.290 1.00 7.41 C ATOM 1640 CZ2 TRP A 112 35.715 -7.754 2.994 1.00 8.41 C ATOM 1641 CZ3 TRP A 112 36.545 -7.727 5.258 1.00 8.25 C ATOM 1642 CH2 TRP A 112 36.127 -8.417 4.116 1.00 8.69 C ATOM 0 H TRP A 112 37.248 -1.486 6.316 1.00 6.15 H new ATOM 0 HA TRP A 112 38.425 -3.671 5.009 1.00 6.12 H new ATOM 0 HB2 TRP A 112 36.017 -3.320 5.748 1.00 6.03 H new ATOM 0 HB3 TRP A 112 35.819 -2.214 4.404 1.00 6.03 H new ATOM 0 HD1 TRP A 112 35.374 -3.270 2.012 1.00 6.79 H new ATOM 0 HE1 TRP A 112 35.041 -5.678 1.124 1.00 7.45 H new ATOM 0 HE3 TRP A 112 36.891 -5.821 6.175 1.00 7.41 H new ATOM 0 HZ2 TRP A 112 35.388 -8.291 2.116 1.00 8.41 H new ATOM 0 HZ3 TRP A 112 36.860 -8.283 6.129 1.00 8.25 H new ATOM 0 HH2 TRP A 112 36.130 -9.497 4.121 1.00 8.69 H new ATOM 1653 N ILE A 113 37.974 -0.980 3.199 1.00 4.92 N ATOM 1654 CA ILE A 113 38.305 -0.319 1.957 1.00 4.71 C ATOM 1655 C ILE A 113 39.810 -0.034 1.868 1.00 4.95 C ATOM 1656 O ILE A 113 40.423 -0.193 0.816 1.00 5.25 O ATOM 1657 CB ILE A 113 37.516 0.994 1.815 1.00 4.41 C ATOM 1658 CG1 ILE A 113 36.008 0.713 1.779 1.00 4.22 C ATOM 1659 CG2 ILE A 113 37.949 1.726 0.560 1.00 4.75 C ATOM 1660 CD1 ILE A 113 35.163 1.941 1.577 1.00 4.30 C ATOM 0 H ILE A 113 37.453 -0.398 3.855 1.00 4.92 H new ATOM 0 HA ILE A 113 38.030 -0.988 1.142 1.00 4.71 H new ATOM 0 HB ILE A 113 37.726 1.624 2.679 1.00 4.41 H new ATOM 0 HG12 ILE A 113 35.800 0.005 0.977 1.00 4.22 H new ATOM 0 HG13 ILE A 113 35.716 0.232 2.713 1.00 4.22 H new ATOM 0 HG21 ILE A 113 37.385 2.654 0.467 1.00 4.75 H new ATOM 0 HG22 ILE A 113 39.014 1.952 0.620 1.00 4.75 H new ATOM 0 HG23 ILE A 113 37.760 1.098 -0.311 1.00 4.75 H new ATOM 0 HD11 ILE A 113 34.110 1.660 1.563 1.00 4.30 H new ATOM 0 HD12 ILE A 113 35.340 2.643 2.392 1.00 4.30 H new ATOM 0 HD13 ILE A 113 35.426 2.411 0.629 1.00 4.30 H new ATOM 1672 N PHE A 114 40.396 0.372 2.989 1.00 5.07 N ATOM 1673 CA PHE A 114 41.823 0.681 3.067 1.00 5.37 C ATOM 1674 C PHE A 114 42.668 -0.560 2.828 1.00 5.85 C ATOM 1675 O PHE A 114 43.799 -0.476 2.355 1.00 6.10 O ATOM 1676 CB PHE A 114 42.169 1.281 4.436 1.00 5.75 C ATOM 1677 CG PHE A 114 42.446 2.756 4.403 1.00 6.09 C ATOM 1678 CD1 PHE A 114 43.547 3.254 3.728 1.00 6.53 C ATOM 1679 CD2 PHE A 114 41.604 3.643 5.053 1.00 6.17 C ATOM 1680 CE1 PHE A 114 43.805 4.610 3.701 1.00 6.91 C ATOM 1681 CE2 PHE A 114 41.857 5.000 5.029 1.00 6.62 C ATOM 1682 CZ PHE A 114 42.956 5.485 4.333 1.00 6.92 C ATOM 0 H PHE A 114 39.897 0.497 3.870 1.00 5.07 H new ATOM 0 HA PHE A 114 42.046 1.409 2.287 1.00 5.37 H new ATOM 0 HB2 PHE A 114 41.344 1.092 5.123 1.00 5.75 H new ATOM 0 HB3 PHE A 114 43.042 0.766 4.837 1.00 5.75 H new ATOM 0 HD1 PHE A 114 44.212 2.574 3.216 1.00 6.53 H new ATOM 0 HD2 PHE A 114 40.741 3.269 5.584 1.00 6.17 H new ATOM 0 HE1 PHE A 114 44.676 4.983 3.182 1.00 6.91 H new ATOM 0 HE2 PHE A 114 41.202 5.682 5.550 1.00 6.62 H new ATOM 0 HZ PHE A 114 43.143 6.548 4.289 1.00 6.92 H new ATOM 1692 N SER A 115 42.112 -1.710 3.167 1.00 6.19 N ATOM 1693 CA SER A 115 42.792 -2.979 2.968 1.00 7.00 C ATOM 1694 C SER A 115 42.592 -3.459 1.539 1.00 7.20 C ATOM 1695 O SER A 115 42.973 -4.571 1.184 1.00 8.04 O ATOM 1696 CB SER A 115 42.246 -4.006 3.959 1.00 7.59 C ATOM 1697 OG SER A 115 43.154 -5.079 4.172 1.00 8.33 O ATOM 0 H SER A 115 41.185 -1.791 3.584 1.00 6.19 H new ATOM 0 HA SER A 115 43.861 -2.851 3.140 1.00 7.00 H new ATOM 0 HB2 SER A 115 42.036 -3.516 4.909 1.00 7.59 H new ATOM 0 HB3 SER A 115 41.300 -4.400 3.588 1.00 7.59 H new ATOM 0 HG SER A 115 43.510 -5.382 3.311 1.00 8.33 H new ATOM 1703 N HIS A 116 41.969 -2.611 0.738 1.00 6.66 N ATOM 1704 CA HIS A 116 41.790 -2.876 -0.680 1.00 7.16 C ATOM 1705 C HIS A 116 42.084 -1.628 -1.496 1.00 6.96 C ATOM 1706 O HIS A 116 41.168 -0.931 -1.932 1.00 6.85 O ATOM 1707 CB HIS A 116 40.373 -3.369 -0.969 1.00 7.29 C ATOM 1708 CG HIS A 116 40.116 -4.747 -0.457 1.00 7.97 C ATOM 1709 ND1 HIS A 116 40.981 -5.794 -0.670 1.00 8.77 N ATOM 1710 CD2 HIS A 116 39.100 -5.246 0.281 1.00 8.20 C ATOM 1711 CE1 HIS A 116 40.501 -6.877 -0.099 1.00 9.41 C ATOM 1712 NE2 HIS A 116 39.361 -6.577 0.491 1.00 9.09 N ATOM 0 H HIS A 116 41.575 -1.724 1.050 1.00 6.66 H new ATOM 0 HA HIS A 116 42.492 -3.659 -0.967 1.00 7.16 H new ATOM 0 HB2 HIS A 116 39.657 -2.681 -0.519 1.00 7.29 H new ATOM 0 HB3 HIS A 116 40.201 -3.350 -2.045 1.00 7.29 H new ATOM 0 HD1 HIS A 116 41.857 -5.739 -1.189 1.00 8.77 H new ATOM 0 HD2 HIS A 116 38.241 -4.698 0.640 1.00 8.20 H new ATOM 0 HE1 HIS A 116 40.965 -7.852 -0.111 1.00 9.41 H new ATOM 1721 N PRO A 117 43.380 -1.336 -1.702 1.00 7.10 N ATOM 1722 CA PRO A 117 43.844 -0.216 -2.527 1.00 7.19 C ATOM 1723 C PRO A 117 43.134 -0.163 -3.874 1.00 7.86 C ATOM 1724 O PRO A 117 42.314 0.720 -4.133 1.00 7.83 O ATOM 1725 CB PRO A 117 45.342 -0.511 -2.724 1.00 7.62 C ATOM 1726 CG PRO A 117 45.531 -1.909 -2.225 1.00 7.92 C ATOM 1727 CD PRO A 117 44.515 -2.065 -1.138 1.00 7.39 C ATOM 0 HA PRO A 117 43.645 0.747 -2.057 1.00 7.19 H new ATOM 0 HB2 PRO A 117 45.627 -0.425 -3.773 1.00 7.62 H new ATOM 0 HB3 PRO A 117 45.960 0.194 -2.167 1.00 7.62 H new ATOM 0 HG2 PRO A 117 45.375 -2.638 -3.020 1.00 7.92 H new ATOM 0 HG3 PRO A 117 46.542 -2.061 -1.847 1.00 7.92 H new ATOM 0 HD2 PRO A 117 44.277 -3.111 -0.945 1.00 7.39 H new ATOM 0 HD3 PRO A 117 44.852 -1.635 -0.195 1.00 7.39 H new ATOM 1735 N GLU A 118 43.468 -1.123 -4.718 1.00 8.68 N ATOM 1736 CA GLU A 118 42.791 -1.339 -5.979 1.00 9.57 C ATOM 1737 C GLU A 118 43.149 -2.717 -6.518 1.00 10.42 C ATOM 1738 O GLU A 118 42.275 -3.524 -6.825 1.00 10.88 O ATOM 1739 CB GLU A 118 43.133 -0.249 -6.996 1.00 10.14 C ATOM 1740 CG GLU A 118 44.617 -0.005 -7.176 1.00 10.26 C ATOM 1741 CD GLU A 118 44.909 1.107 -8.165 1.00 10.90 C ATOM 1742 OE1 GLU A 118 44.640 0.925 -9.373 1.00 11.01 O ATOM 1743 OE2 GLU A 118 45.400 2.174 -7.742 1.00 11.42 O ATOM 0 H GLU A 118 44.227 -1.781 -4.542 1.00 8.68 H new ATOM 0 HA GLU A 118 41.716 -1.289 -5.807 1.00 9.57 H new ATOM 0 HB2 GLU A 118 42.702 -0.520 -7.960 1.00 10.14 H new ATOM 0 HB3 GLU A 118 42.659 0.682 -6.686 1.00 10.14 H new ATOM 0 HG2 GLU A 118 45.060 0.245 -6.212 1.00 10.26 H new ATOM 0 HG3 GLU A 118 45.094 -0.924 -7.517 1.00 10.26 H new ATOM 1750 N PHE A 119 44.444 -2.996 -6.584 1.00 10.70 N ATOM 1751 CA PHE A 119 44.925 -4.267 -7.101 1.00 11.61 C ATOM 1752 C PHE A 119 45.683 -5.034 -6.021 1.00 11.51 C ATOM 1753 O PHE A 119 46.286 -6.074 -6.286 1.00 12.37 O ATOM 1754 CB PHE A 119 45.808 -4.020 -8.340 1.00 12.63 C ATOM 1755 CG PHE A 119 46.328 -5.268 -9.001 1.00 13.60 C ATOM 1756 CD1 PHE A 119 45.457 -6.162 -9.609 1.00 13.98 C ATOM 1757 CD2 PHE A 119 47.685 -5.542 -9.027 1.00 14.22 C ATOM 1758 CE1 PHE A 119 45.933 -7.304 -10.225 1.00 14.97 C ATOM 1759 CE2 PHE A 119 48.165 -6.682 -9.639 1.00 15.19 C ATOM 1760 CZ PHE A 119 47.287 -7.582 -10.208 1.00 15.58 C ATOM 0 H PHE A 119 45.180 -2.357 -6.285 1.00 10.70 H new ATOM 0 HA PHE A 119 44.074 -4.879 -7.400 1.00 11.61 H new ATOM 0 HB2 PHE A 119 45.234 -3.451 -9.071 1.00 12.63 H new ATOM 0 HB3 PHE A 119 46.655 -3.400 -8.047 1.00 12.63 H new ATOM 0 HD1 PHE A 119 44.396 -5.963 -9.601 1.00 13.98 H new ATOM 0 HD2 PHE A 119 48.377 -4.855 -8.562 1.00 14.22 H new ATOM 0 HE1 PHE A 119 45.248 -7.978 -10.719 1.00 14.97 H new ATOM 0 HE2 PHE A 119 49.228 -6.870 -9.673 1.00 15.19 H new ATOM 0 HZ PHE A 119 47.657 -8.501 -10.639 1.00 15.58 H new ATOM 1770 N GLU A 120 45.599 -4.533 -4.794 1.00 10.55 N ATOM 1771 CA GLU A 120 46.330 -5.099 -3.660 1.00 10.48 C ATOM 1772 C GLU A 120 47.835 -5.019 -3.904 1.00 10.99 C ATOM 1773 O GLU A 120 48.292 -4.354 -4.838 1.00 11.40 O ATOM 1774 CB GLU A 120 45.923 -6.556 -3.440 1.00 11.07 C ATOM 1775 CG GLU A 120 44.442 -6.729 -3.202 1.00 10.59 C ATOM 1776 CD GLU A 120 44.018 -6.380 -1.795 1.00 10.31 C ATOM 1777 OE1 GLU A 120 44.206 -7.218 -0.886 1.00 10.33 O ATOM 1778 OE2 GLU A 120 43.462 -5.287 -1.598 1.00 10.23 O ATOM 0 H GLU A 120 45.024 -3.725 -4.555 1.00 10.55 H new ATOM 0 HA GLU A 120 46.083 -4.521 -2.770 1.00 10.48 H new ATOM 0 HB2 GLU A 120 46.216 -7.144 -4.310 1.00 11.07 H new ATOM 0 HB3 GLU A 120 46.471 -6.955 -2.586 1.00 11.07 H new ATOM 0 HG2 GLU A 120 43.893 -6.103 -3.905 1.00 10.59 H new ATOM 0 HG3 GLU A 120 44.166 -7.762 -3.412 1.00 10.59 H new ATOM 1785 N GLU A 121 48.603 -5.675 -3.053 1.00 11.08 N ATOM 1786 CA GLU A 121 50.020 -5.864 -3.302 1.00 11.65 C ATOM 1787 C GLU A 121 50.231 -7.183 -4.023 1.00 12.26 C ATOM 1788 O GLU A 121 49.534 -8.162 -3.755 1.00 12.21 O ATOM 1789 CB GLU A 121 50.832 -5.851 -2.005 1.00 11.42 C ATOM 1790 CG GLU A 121 50.276 -6.747 -0.906 1.00 11.24 C ATOM 1791 CD GLU A 121 49.183 -6.074 -0.094 1.00 10.81 C ATOM 1792 OE1 GLU A 121 48.006 -6.160 -0.502 1.00 10.63 O ATOM 1793 OE2 GLU A 121 49.497 -5.459 0.947 1.00 10.85 O ATOM 0 H GLU A 121 48.268 -6.086 -2.182 1.00 11.08 H new ATOM 0 HA GLU A 121 50.368 -5.036 -3.919 1.00 11.65 H new ATOM 0 HB2 GLU A 121 51.853 -6.160 -2.227 1.00 11.42 H new ATOM 0 HB3 GLU A 121 50.882 -4.828 -1.632 1.00 11.42 H new ATOM 0 HG2 GLU A 121 49.881 -7.659 -1.353 1.00 11.24 H new ATOM 0 HG3 GLU A 121 51.087 -7.043 -0.240 1.00 11.24 H new ATOM 1800 N ASP A 122 51.178 -7.207 -4.940 1.00 12.98 N ATOM 1801 CA ASP A 122 51.470 -8.422 -5.683 1.00 13.73 C ATOM 1802 C ASP A 122 52.820 -8.989 -5.264 1.00 14.09 C ATOM 1803 O ASP A 122 53.702 -8.246 -4.835 1.00 14.14 O ATOM 1804 CB ASP A 122 51.435 -8.143 -7.190 1.00 14.22 C ATOM 1805 CG ASP A 122 51.653 -9.389 -8.025 1.00 15.11 C ATOM 1806 OD1 ASP A 122 50.818 -10.314 -7.948 1.00 15.51 O ATOM 1807 OD2 ASP A 122 52.663 -9.451 -8.761 1.00 15.49 O ATOM 0 H ASP A 122 51.757 -6.405 -5.189 1.00 12.98 H new ATOM 0 HA ASP A 122 50.706 -9.166 -5.456 1.00 13.73 H new ATOM 0 HB2 ASP A 122 50.473 -7.701 -7.450 1.00 14.22 H new ATOM 0 HB3 ASP A 122 52.201 -7.408 -7.436 1.00 14.22 H new ATOM 1812 N SER A 123 52.953 -10.306 -5.391 1.00 14.48 N ATOM 1813 CA SER A 123 54.135 -11.037 -4.940 1.00 15.03 C ATOM 1814 C SER A 123 55.431 -10.411 -5.450 1.00 15.58 C ATOM 1815 O SER A 123 55.674 -10.352 -6.655 1.00 16.06 O ATOM 1816 CB SER A 123 54.034 -12.486 -5.409 1.00 15.21 C ATOM 1817 OG SER A 123 53.749 -12.549 -6.797 1.00 15.39 O ATOM 0 H SER A 123 52.239 -10.901 -5.812 1.00 14.48 H new ATOM 0 HA SER A 123 54.165 -10.992 -3.851 1.00 15.03 H new ATOM 0 HB2 SER A 123 54.969 -13.006 -5.202 1.00 15.21 H new ATOM 0 HB3 SER A 123 53.253 -13.000 -4.849 1.00 15.21 H new ATOM 0 HG SER A 123 54.311 -11.905 -7.276 1.00 15.39 H new ATOM 1823 N ASP A 124 56.257 -9.949 -4.520 1.00 15.63 N ATOM 1824 CA ASP A 124 57.536 -9.348 -4.856 1.00 16.25 C ATOM 1825 C ASP A 124 58.628 -10.403 -4.854 1.00 16.92 C ATOM 1826 O ASP A 124 58.568 -11.379 -4.103 1.00 17.40 O ATOM 1827 CB ASP A 124 57.889 -8.224 -3.877 1.00 16.32 C ATOM 1828 CG ASP A 124 57.942 -8.689 -2.433 1.00 16.45 C ATOM 1829 OD1 ASP A 124 56.882 -8.756 -1.778 1.00 16.56 O ATOM 1830 OD2 ASP A 124 59.056 -8.999 -1.946 1.00 16.55 O ATOM 0 H ASP A 124 56.059 -9.981 -3.520 1.00 15.63 H new ATOM 0 HA ASP A 124 57.457 -8.919 -5.855 1.00 16.25 H new ATOM 0 HB2 ASP A 124 58.855 -7.800 -4.152 1.00 16.32 H new ATOM 0 HB3 ASP A 124 57.153 -7.425 -3.969 1.00 16.32 H new ATOM 1835 N PHE A 125 59.616 -10.204 -5.705 1.00 17.07 N ATOM 1836 CA PHE A 125 60.708 -11.151 -5.860 1.00 17.83 C ATOM 1837 C PHE A 125 61.958 -10.625 -5.162 1.00 18.42 C ATOM 1838 O PHE A 125 62.413 -9.515 -5.441 1.00 18.77 O ATOM 1839 CB PHE A 125 60.986 -11.388 -7.351 1.00 17.95 C ATOM 1840 CG PHE A 125 61.931 -12.525 -7.621 1.00 18.29 C ATOM 1841 CD1 PHE A 125 61.449 -13.815 -7.773 1.00 18.50 C ATOM 1842 CD2 PHE A 125 63.292 -12.304 -7.731 1.00 18.51 C ATOM 1843 CE1 PHE A 125 62.312 -14.864 -8.030 1.00 18.96 C ATOM 1844 CE2 PHE A 125 64.159 -13.349 -7.987 1.00 18.94 C ATOM 1845 CZ PHE A 125 63.668 -14.630 -8.138 1.00 19.19 C ATOM 0 H PHE A 125 59.686 -9.384 -6.308 1.00 17.07 H new ATOM 0 HA PHE A 125 60.427 -12.099 -5.402 1.00 17.83 H new ATOM 0 HB2 PHE A 125 60.042 -11.584 -7.860 1.00 17.95 H new ATOM 0 HB3 PHE A 125 61.398 -10.476 -7.783 1.00 17.95 H new ATOM 0 HD1 PHE A 125 60.389 -14.003 -7.690 1.00 18.50 H new ATOM 0 HD2 PHE A 125 63.681 -11.303 -7.615 1.00 18.51 H new ATOM 0 HE1 PHE A 125 61.925 -15.866 -8.146 1.00 18.96 H new ATOM 0 HE2 PHE A 125 65.220 -13.164 -8.069 1.00 18.94 H new ATOM 0 HZ PHE A 125 64.344 -15.448 -8.340 1.00 19.19 H new ATOM 1855 N VAL A 126 62.501 -11.420 -4.255 1.00 18.64 N ATOM 1856 CA VAL A 126 63.677 -11.023 -3.505 1.00 19.32 C ATOM 1857 C VAL A 126 64.954 -11.548 -4.171 1.00 19.84 C ATOM 1858 O VAL A 126 65.168 -12.776 -4.195 1.00 20.33 O ATOM 1859 CB VAL A 126 63.589 -11.485 -2.028 1.00 19.36 C ATOM 1860 CG1 VAL A 126 63.312 -12.978 -1.923 1.00 19.82 C ATOM 1861 CG2 VAL A 126 64.854 -11.123 -1.273 1.00 19.37 C ATOM 1862 OXT VAL A 126 65.737 -10.722 -4.684 1.00 19.85 O ATOM 0 H VAL A 126 62.144 -12.346 -4.021 1.00 18.64 H new ATOM 0 HA VAL A 126 63.718 -9.934 -3.506 1.00 19.32 H new ATOM 0 HB VAL A 126 62.751 -10.959 -1.571 1.00 19.36 H new ATOM 0 HG11 VAL A 126 63.257 -13.265 -0.873 1.00 19.82 H new ATOM 0 HG12 VAL A 126 62.365 -13.208 -2.412 1.00 19.82 H new ATOM 0 HG13 VAL A 126 64.115 -13.532 -2.409 1.00 19.82 H new ATOM 0 HG21 VAL A 126 64.769 -11.457 -0.239 1.00 19.37 H new ATOM 0 HG22 VAL A 126 65.709 -11.609 -1.742 1.00 19.37 H new ATOM 0 HG23 VAL A 126 64.994 -10.042 -1.295 1.00 19.37 H new TER 1872 VAL A 126