USER MOD reduce.3.24.130724 H: found=0, std=0, add=904, rem=0, adj=24 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 Set 1.1: A 1 ASP N :NH3+ -151:sc= 0 (180deg=-0.167) USER MOD Set 1.2: A 29 ASN : amide:sc= -0.0258 K(o=-0.026,f=-0.81) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 89:sc= 0.388 USER MOD Single : A 8 MET CE :methyl 162:sc= -0.0778 (180deg=-0.534) USER MOD Single : A 9 GLN : amide:sc= -0.907 K(o=-0.91,f=0) USER MOD Single : A 13 MET CE :methyl 164:sc= -0.104 (180deg=-0.626) USER MOD Single : A 20 CYS SG : rot 80:sc= -3.37! USER MOD Single : A 22 LYS NZ :NH3+ -176:sc= 1.21 (180deg=1.19) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 9:sc= -0.0785 USER MOD Single : A 30 MET CE :methyl -157:sc= -0.203 (180deg=-0.846) USER MOD Single : A 37 ASN : amide:sc= -1.16 K(o=-1.2,f=-0.014) USER MOD Single : A 42 HIS : no HD1:sc= -0.388 K(o=-0.39,f=-1.1) USER MOD Single : A 43 MET CE :methyl -167:sc= 0 (180deg=-0.0011) USER MOD Single : A 53 THR OG1 : rot 17:sc= 0.94 USER MOD Single : A 54 MET CE :methyl -135:sc= 0 (180deg=-3.49!) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0.0838 USER MOD Single : A 66 SER OG : rot 180:sc=-0.00965 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= -0.12 K(o=-0.12,f=-1.8!) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 86 THR OG1 : rot 54:sc= 0.254 USER MOD Single : A 87 SER OG : rot 83:sc= 1.27 USER MOD Single : A 88 MET CE :methyl -164:sc= -0.0748 (180deg=-0.49) USER MOD Single : A 91 GLN : amide:sc= -1.71! X(o=-1.7!,f=-1.3) USER MOD Single : A 93 ASN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 94 GLN : amide:sc= -0.832 K(o=-0.83,f=-5.4!) USER MOD Single : A 97 GLN : amide:sc= -1.19 K(o=-1.2,f=-0.013) USER MOD Single : A 102 THR OG1 : rot 152:sc= -1.02! USER MOD Single : A 103 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 104 ASN : amide:sc= -2.43 K(o=-2.4,f=-0.98) USER MOD Single : A 105 ASN : amide:sc= 0.681 K(o=0.68,f=-7.3!) USER MOD Single : A 115 SER OG : rot 72:sc= 0.895 USER MOD Single : A 116 HIS : no HE2:sc= 0.497 K(o=0.5,f=-5.6!) USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -43.106 11.865 6.137 1.00 6.24 N ATOM 2 CA ASP A 1 -44.241 11.197 5.449 1.00 6.09 C ATOM 3 C ASP A 1 -43.719 10.060 4.590 1.00 5.57 C ATOM 4 O ASP A 1 -44.092 8.904 4.767 1.00 5.48 O ATOM 5 CB ASP A 1 -44.999 12.185 4.562 1.00 6.38 C ATOM 6 CG ASP A 1 -45.330 13.472 5.281 1.00 6.83 C ATOM 7 OD1 ASP A 1 -46.353 13.508 5.999 1.00 7.06 O ATOM 8 OD2 ASP A 1 -44.582 14.455 5.126 1.00 7.16 O ATOM 0 H1 ASP A 1 -43.434 12.267 7.038 1.00 6.24 H new ATOM 0 H2 ASP A 1 -42.354 11.170 6.321 1.00 6.24 H new ATOM 0 H3 ASP A 1 -42.734 12.626 5.534 1.00 6.24 H new ATOM 0 HA ASP A 1 -44.921 10.812 6.208 1.00 6.09 H new ATOM 0 HB2 ASP A 1 -44.400 12.409 3.679 1.00 6.38 H new ATOM 0 HB3 ASP A 1 -45.921 11.721 4.212 1.00 6.38 H new ATOM 15 N ILE A 2 -42.860 10.402 3.646 1.00 5.46 N ATOM 16 CA ILE A 2 -42.184 9.424 2.826 1.00 4.94 C ATOM 17 C ILE A 2 -40.728 9.849 2.684 1.00 4.60 C ATOM 18 O ILE A 2 -40.359 10.519 1.716 1.00 4.72 O ATOM 19 CB ILE A 2 -42.818 9.298 1.419 1.00 4.98 C ATOM 20 CG1 ILE A 2 -44.327 9.073 1.521 1.00 5.40 C ATOM 21 CG2 ILE A 2 -42.170 8.152 0.660 1.00 4.52 C ATOM 22 CD1 ILE A 2 -45.031 9.079 0.181 1.00 5.69 C ATOM 0 H ILE A 2 -42.614 11.368 3.430 1.00 5.46 H new ATOM 0 HA ILE A 2 -42.271 8.451 3.309 1.00 4.94 H new ATOM 0 HB ILE A 2 -42.647 10.229 0.879 1.00 4.98 H new ATOM 0 HG12 ILE A 2 -44.511 8.119 2.015 1.00 5.40 H new ATOM 0 HG13 ILE A 2 -44.760 9.848 2.153 1.00 5.40 H new ATOM 0 HG21 ILE A 2 -42.621 8.069 -0.329 1.00 4.52 H new ATOM 0 HG22 ILE A 2 -41.102 8.342 0.557 1.00 4.52 H new ATOM 0 HG23 ILE A 2 -42.322 7.221 1.207 1.00 4.52 H new ATOM 0 HD11 ILE A 2 -46.098 8.914 0.330 1.00 5.69 H new ATOM 0 HD12 ILE A 2 -44.877 10.042 -0.306 1.00 5.69 H new ATOM 0 HD13 ILE A 2 -44.625 8.286 -0.447 1.00 5.69 H new ATOM 34 N ASP A 3 -39.920 9.514 3.685 1.00 4.29 N ATOM 35 CA ASP A 3 -38.505 9.869 3.675 1.00 4.07 C ATOM 36 C ASP A 3 -37.761 9.093 2.608 1.00 3.76 C ATOM 37 O ASP A 3 -37.223 8.011 2.858 1.00 3.50 O ATOM 38 CB ASP A 3 -37.862 9.635 5.045 1.00 3.99 C ATOM 39 CG ASP A 3 -38.197 10.732 6.034 1.00 4.25 C ATOM 40 OD1 ASP A 3 -39.385 10.873 6.398 1.00 4.39 O ATOM 41 OD2 ASP A 3 -37.275 11.449 6.469 1.00 4.60 O ATOM 0 H ASP A 3 -40.220 8.998 4.512 1.00 4.29 H new ATOM 0 HA ASP A 3 -38.436 10.932 3.444 1.00 4.07 H new ATOM 0 HB2 ASP A 3 -38.197 8.677 5.442 1.00 3.99 H new ATOM 0 HB3 ASP A 3 -36.780 9.571 4.930 1.00 3.99 H new ATOM 46 N GLU A 4 -37.741 9.655 1.412 1.00 3.88 N ATOM 47 CA GLU A 4 -37.051 9.062 0.284 1.00 3.72 C ATOM 48 C GLU A 4 -35.544 9.160 0.467 1.00 3.64 C ATOM 49 O GLU A 4 -34.777 8.583 -0.297 1.00 3.58 O ATOM 50 CB GLU A 4 -37.502 9.731 -1.009 1.00 4.04 C ATOM 51 CG GLU A 4 -38.972 9.486 -1.296 1.00 4.23 C ATOM 52 CD GLU A 4 -39.496 10.303 -2.460 1.00 4.68 C ATOM 53 OE1 GLU A 4 -39.393 11.546 -2.418 1.00 5.13 O ATOM 54 OE2 GLU A 4 -39.973 9.702 -3.441 1.00 4.67 O ATOM 0 H GLU A 4 -38.205 10.538 1.197 1.00 3.88 H new ATOM 0 HA GLU A 4 -37.305 8.004 0.226 1.00 3.72 H new ATOM 0 HB2 GLU A 4 -37.320 10.804 -0.944 1.00 4.04 H new ATOM 0 HB3 GLU A 4 -36.904 9.355 -1.839 1.00 4.04 H new ATOM 0 HG2 GLU A 4 -39.123 8.427 -1.506 1.00 4.23 H new ATOM 0 HG3 GLU A 4 -39.554 9.720 -0.405 1.00 4.23 H new ATOM 61 N SER A 5 -35.129 9.891 1.491 1.00 3.76 N ATOM 62 CA SER A 5 -33.738 9.885 1.904 1.00 3.85 C ATOM 63 C SER A 5 -33.317 8.455 2.240 1.00 3.61 C ATOM 64 O SER A 5 -32.208 8.036 1.923 1.00 3.72 O ATOM 65 CB SER A 5 -33.545 10.799 3.113 1.00 4.10 C ATOM 66 OG SER A 5 -34.056 12.094 2.851 1.00 4.17 O ATOM 0 H SER A 5 -35.735 10.493 2.048 1.00 3.76 H new ATOM 0 HA SER A 5 -33.115 10.258 1.091 1.00 3.85 H new ATOM 0 HB2 SER A 5 -34.049 10.373 3.981 1.00 4.10 H new ATOM 0 HB3 SER A 5 -32.485 10.864 3.360 1.00 4.10 H new ATOM 0 HG SER A 5 -33.924 12.663 3.638 1.00 4.17 H new ATOM 72 N SER A 6 -34.239 7.706 2.851 1.00 3.37 N ATOM 73 CA SER A 6 -34.000 6.314 3.224 1.00 3.21 C ATOM 74 C SER A 6 -33.672 5.466 1.992 1.00 3.07 C ATOM 75 O SER A 6 -32.655 4.766 1.953 1.00 3.14 O ATOM 76 CB SER A 6 -35.241 5.757 3.925 1.00 3.12 C ATOM 77 OG SER A 6 -35.703 6.658 4.918 1.00 3.42 O ATOM 0 H SER A 6 -35.167 8.048 3.099 1.00 3.37 H new ATOM 0 HA SER A 6 -33.146 6.275 3.900 1.00 3.21 H new ATOM 0 HB2 SER A 6 -36.029 5.579 3.193 1.00 3.12 H new ATOM 0 HB3 SER A 6 -35.006 4.795 4.381 1.00 3.12 H new ATOM 0 HG SER A 6 -36.340 7.287 4.518 1.00 3.42 H new ATOM 83 N VAL A 7 -34.524 5.545 0.973 1.00 2.98 N ATOM 84 CA VAL A 7 -34.304 4.773 -0.237 1.00 2.91 C ATOM 85 C VAL A 7 -33.073 5.268 -0.974 1.00 3.12 C ATOM 86 O VAL A 7 -32.303 4.476 -1.506 1.00 3.14 O ATOM 87 CB VAL A 7 -35.522 4.781 -1.187 1.00 2.96 C ATOM 88 CG1 VAL A 7 -35.987 6.191 -1.517 1.00 3.24 C ATOM 89 CG2 VAL A 7 -35.195 4.023 -2.461 1.00 2.98 C ATOM 0 H VAL A 7 -35.361 6.128 0.964 1.00 2.98 H new ATOM 0 HA VAL A 7 -34.150 3.742 0.082 1.00 2.91 H new ATOM 0 HB VAL A 7 -36.342 4.285 -0.669 1.00 2.96 H new ATOM 0 HG11 VAL A 7 -36.845 6.144 -2.188 1.00 3.24 H new ATOM 0 HG12 VAL A 7 -36.272 6.704 -0.599 1.00 3.24 H new ATOM 0 HG13 VAL A 7 -35.178 6.737 -2.002 1.00 3.24 H new ATOM 0 HG21 VAL A 7 -36.060 4.035 -3.124 1.00 2.98 H new ATOM 0 HG22 VAL A 7 -34.350 4.497 -2.960 1.00 2.98 H new ATOM 0 HG23 VAL A 7 -34.940 2.992 -2.216 1.00 2.98 H new ATOM 99 N MET A 8 -32.884 6.577 -0.989 1.00 3.37 N ATOM 100 CA MET A 8 -31.715 7.170 -1.621 1.00 3.71 C ATOM 101 C MET A 8 -30.430 6.729 -0.933 1.00 3.85 C ATOM 102 O MET A 8 -29.377 6.692 -1.560 1.00 4.12 O ATOM 103 CB MET A 8 -31.816 8.691 -1.653 1.00 4.00 C ATOM 104 CG MET A 8 -32.706 9.198 -2.771 1.00 4.07 C ATOM 105 SD MET A 8 -32.928 10.985 -2.728 1.00 4.46 S ATOM 106 CE MET A 8 -31.238 11.541 -2.939 1.00 5.17 C ATOM 0 H MET A 8 -33.525 7.251 -0.570 1.00 3.37 H new ATOM 0 HA MET A 8 -31.684 6.812 -2.650 1.00 3.71 H new ATOM 0 HB2 MET A 8 -32.203 9.045 -0.698 1.00 4.00 H new ATOM 0 HB3 MET A 8 -30.818 9.114 -1.769 1.00 4.00 H new ATOM 0 HG2 MET A 8 -32.275 8.913 -3.731 1.00 4.07 H new ATOM 0 HG3 MET A 8 -33.680 8.713 -2.702 1.00 4.07 H new ATOM 0 HE1 MET A 8 -31.235 12.585 -3.251 1.00 5.17 H new ATOM 0 HE2 MET A 8 -30.702 11.443 -1.995 1.00 5.17 H new ATOM 0 HE3 MET A 8 -30.747 10.934 -3.700 1.00 5.17 H new ATOM 116 N GLN A 9 -30.518 6.395 0.350 1.00 3.77 N ATOM 117 CA GLN A 9 -29.392 5.788 1.050 1.00 4.01 C ATOM 118 C GLN A 9 -29.054 4.446 0.417 1.00 3.96 C ATOM 119 O GLN A 9 -27.911 4.210 0.025 1.00 4.33 O ATOM 120 CB GLN A 9 -29.705 5.595 2.536 1.00 4.00 C ATOM 121 CG GLN A 9 -29.838 6.893 3.312 1.00 4.36 C ATOM 122 CD GLN A 9 -30.225 6.670 4.763 1.00 4.96 C ATOM 123 OE1 GLN A 9 -30.903 7.496 5.370 1.00 5.38 O ATOM 124 NE2 GLN A 9 -29.793 5.550 5.327 1.00 5.37 N ATOM 0 H GLN A 9 -31.351 6.533 0.923 1.00 3.77 H new ATOM 0 HA GLN A 9 -28.537 6.459 0.965 1.00 4.01 H new ATOM 0 HB2 GLN A 9 -30.632 5.030 2.631 1.00 4.00 H new ATOM 0 HB3 GLN A 9 -28.917 4.993 2.988 1.00 4.00 H new ATOM 0 HG2 GLN A 9 -28.893 7.435 3.271 1.00 4.36 H new ATOM 0 HG3 GLN A 9 -30.587 7.523 2.833 1.00 4.36 H new ATOM 0 HE21 GLN A 9 -29.232 4.891 4.787 1.00 5.37 H new ATOM 0 HE22 GLN A 9 -30.021 5.348 6.300 1.00 5.37 H new ATOM 133 N LEU A 10 -30.059 3.575 0.300 1.00 3.56 N ATOM 134 CA LEU A 10 -29.864 2.276 -0.359 1.00 3.52 C ATOM 135 C LEU A 10 -29.386 2.493 -1.785 1.00 3.65 C ATOM 136 O LEU A 10 -28.457 1.846 -2.260 1.00 3.90 O ATOM 137 CB LEU A 10 -31.158 1.467 -0.452 1.00 3.15 C ATOM 138 CG LEU A 10 -32.077 1.437 0.759 1.00 3.03 C ATOM 139 CD1 LEU A 10 -33.188 0.450 0.508 1.00 2.85 C ATOM 140 CD2 LEU A 10 -31.337 1.075 2.030 1.00 3.23 C ATOM 0 H LEU A 10 -31.004 3.739 0.647 1.00 3.56 H new ATOM 0 HA LEU A 10 -29.137 1.732 0.244 1.00 3.52 H new ATOM 0 HB2 LEU A 10 -31.731 1.852 -1.295 1.00 3.15 H new ATOM 0 HB3 LEU A 10 -30.890 0.438 -0.692 1.00 3.15 H new ATOM 0 HG LEU A 10 -32.484 2.438 0.901 1.00 3.03 H new ATOM 0 HD11 LEU A 10 -33.852 0.422 1.372 1.00 2.85 H new ATOM 0 HD12 LEU A 10 -33.752 0.754 -0.374 1.00 2.85 H new ATOM 0 HD13 LEU A 10 -32.764 -0.541 0.344 1.00 2.85 H new ATOM 0 HD21 LEU A 10 -32.035 1.066 2.867 1.00 3.23 H new ATOM 0 HD22 LEU A 10 -30.888 0.088 1.921 1.00 3.23 H new ATOM 0 HD23 LEU A 10 -30.554 1.810 2.217 1.00 3.23 H new ATOM 152 N ALA A 11 -30.051 3.425 -2.447 1.00 3.56 N ATOM 153 CA ALA A 11 -29.821 3.717 -3.853 1.00 3.74 C ATOM 154 C ALA A 11 -28.409 4.218 -4.097 1.00 4.22 C ATOM 155 O ALA A 11 -27.852 4.035 -5.172 1.00 4.46 O ATOM 156 CB ALA A 11 -30.834 4.745 -4.329 1.00 3.71 C ATOM 0 H ALA A 11 -30.773 4.006 -2.020 1.00 3.56 H new ATOM 0 HA ALA A 11 -29.942 2.793 -4.418 1.00 3.74 H new ATOM 0 HB1 ALA A 11 -30.662 4.964 -5.383 1.00 3.71 H new ATOM 0 HB2 ALA A 11 -31.842 4.350 -4.200 1.00 3.71 H new ATOM 0 HB3 ALA A 11 -30.726 5.659 -3.746 1.00 3.71 H new ATOM 162 N GLU A 12 -27.851 4.865 -3.094 1.00 4.41 N ATOM 163 CA GLU A 12 -26.516 5.411 -3.182 1.00 4.92 C ATOM 164 C GLU A 12 -25.450 4.374 -2.815 1.00 5.14 C ATOM 165 O GLU A 12 -24.513 4.148 -3.580 1.00 5.60 O ATOM 166 CB GLU A 12 -26.426 6.643 -2.288 1.00 5.13 C ATOM 167 CG GLU A 12 -25.034 6.955 -1.795 1.00 5.27 C ATOM 168 CD GLU A 12 -24.961 8.288 -1.087 1.00 5.79 C ATOM 169 OE1 GLU A 12 -24.895 9.331 -1.775 1.00 6.27 O ATOM 170 OE2 GLU A 12 -24.983 8.302 0.158 1.00 5.95 O ATOM 0 H GLU A 12 -28.311 5.026 -2.198 1.00 4.41 H new ATOM 0 HA GLU A 12 -26.319 5.699 -4.215 1.00 4.92 H new ATOM 0 HB2 GLU A 12 -26.805 7.504 -2.838 1.00 5.13 H new ATOM 0 HB3 GLU A 12 -27.080 6.501 -1.427 1.00 5.13 H new ATOM 0 HG2 GLU A 12 -24.706 6.167 -1.116 1.00 5.27 H new ATOM 0 HG3 GLU A 12 -24.344 6.956 -2.639 1.00 5.27 H new ATOM 177 N MET A 13 -25.603 3.728 -1.659 1.00 4.88 N ATOM 178 CA MET A 13 -24.558 2.838 -1.146 1.00 5.14 C ATOM 179 C MET A 13 -24.885 1.368 -1.397 1.00 4.89 C ATOM 180 O MET A 13 -24.406 0.486 -0.680 1.00 5.03 O ATOM 181 CB MET A 13 -24.331 3.070 0.353 1.00 5.20 C ATOM 182 CG MET A 13 -25.530 2.716 1.209 1.00 4.86 C ATOM 183 SD MET A 13 -25.179 2.794 2.979 1.00 5.10 S ATOM 184 CE MET A 13 -24.546 4.463 3.129 1.00 5.16 C ATOM 0 H MET A 13 -26.429 3.802 -1.065 1.00 4.88 H new ATOM 0 HA MET A 13 -23.644 3.078 -1.689 1.00 5.14 H new ATOM 0 HB2 MET A 13 -23.475 2.478 0.678 1.00 5.20 H new ATOM 0 HB3 MET A 13 -24.075 4.117 0.516 1.00 5.20 H new ATOM 0 HG2 MET A 13 -26.350 3.396 0.976 1.00 4.86 H new ATOM 0 HG3 MET A 13 -25.867 1.711 0.955 1.00 4.86 H new ATOM 0 HE1 MET A 13 -24.552 4.762 4.177 1.00 5.16 H new ATOM 0 HE2 MET A 13 -23.526 4.501 2.747 1.00 5.16 H new ATOM 0 HE3 MET A 13 -25.174 5.143 2.554 1.00 5.16 H new ATOM 194 N GLY A 14 -25.692 1.099 -2.408 1.00 4.62 N ATOM 195 CA GLY A 14 -26.042 -0.271 -2.707 1.00 4.51 C ATOM 196 C GLY A 14 -26.660 -0.438 -4.077 1.00 4.38 C ATOM 197 O GLY A 14 -25.953 -0.614 -5.070 1.00 4.75 O ATOM 0 H GLY A 14 -26.108 1.798 -3.023 1.00 4.62 H new ATOM 0 HA2 GLY A 14 -25.148 -0.891 -2.640 1.00 4.51 H new ATOM 0 HA3 GLY A 14 -26.740 -0.635 -1.953 1.00 4.51 H new ATOM 201 N PHE A 15 -27.980 -0.378 -4.130 1.00 4.09 N ATOM 202 CA PHE A 15 -28.721 -0.650 -5.355 1.00 4.04 C ATOM 203 C PHE A 15 -29.830 0.377 -5.528 1.00 3.73 C ATOM 204 O PHE A 15 -30.335 0.906 -4.542 1.00 3.48 O ATOM 205 CB PHE A 15 -29.352 -2.049 -5.302 1.00 4.10 C ATOM 206 CG PHE A 15 -28.388 -3.163 -5.006 1.00 4.27 C ATOM 207 CD1 PHE A 15 -27.695 -3.782 -6.029 1.00 4.60 C ATOM 208 CD2 PHE A 15 -28.189 -3.596 -3.704 1.00 4.36 C ATOM 209 CE1 PHE A 15 -26.815 -4.816 -5.759 1.00 5.01 C ATOM 210 CE2 PHE A 15 -27.313 -4.628 -3.430 1.00 4.78 C ATOM 211 CZ PHE A 15 -26.625 -5.237 -4.458 1.00 5.09 C ATOM 0 H PHE A 15 -28.568 -0.141 -3.331 1.00 4.09 H new ATOM 0 HA PHE A 15 -28.026 -0.596 -6.193 1.00 4.04 H new ATOM 0 HB2 PHE A 15 -30.133 -2.052 -4.542 1.00 4.10 H new ATOM 0 HB3 PHE A 15 -29.836 -2.250 -6.257 1.00 4.10 H new ATOM 0 HD1 PHE A 15 -27.841 -3.456 -7.048 1.00 4.60 H new ATOM 0 HD2 PHE A 15 -28.725 -3.121 -2.895 1.00 4.36 H new ATOM 0 HE1 PHE A 15 -26.278 -5.293 -6.565 1.00 5.01 H new ATOM 0 HE2 PHE A 15 -27.167 -4.958 -2.412 1.00 4.78 H new ATOM 0 HZ PHE A 15 -25.938 -6.043 -4.246 1.00 5.09 H new ATOM 221 N PRO A 16 -30.217 0.680 -6.780 1.00 3.83 N ATOM 222 CA PRO A 16 -31.373 1.541 -7.070 1.00 3.69 C ATOM 223 C PRO A 16 -32.679 0.903 -6.594 1.00 3.43 C ATOM 224 O PRO A 16 -33.479 0.409 -7.389 1.00 3.52 O ATOM 225 CB PRO A 16 -31.361 1.669 -8.597 1.00 4.05 C ATOM 226 CG PRO A 16 -30.552 0.513 -9.084 1.00 4.25 C ATOM 227 CD PRO A 16 -29.546 0.225 -8.008 1.00 4.22 C ATOM 0 HA PRO A 16 -31.310 2.502 -6.560 1.00 3.69 H new ATOM 0 HB2 PRO A 16 -32.373 1.639 -9.002 1.00 4.05 H new ATOM 0 HB3 PRO A 16 -30.921 2.616 -8.909 1.00 4.05 H new ATOM 0 HG2 PRO A 16 -31.185 -0.355 -9.268 1.00 4.25 H new ATOM 0 HG3 PRO A 16 -30.058 0.753 -10.025 1.00 4.25 H new ATOM 0 HD2 PRO A 16 -29.300 -0.836 -7.962 1.00 4.22 H new ATOM 0 HD3 PRO A 16 -28.612 0.761 -8.177 1.00 4.22 H new ATOM 235 N LEU A 17 -32.884 0.919 -5.288 1.00 3.19 N ATOM 236 CA LEU A 17 -33.982 0.206 -4.663 1.00 3.02 C ATOM 237 C LEU A 17 -35.244 1.059 -4.570 1.00 3.04 C ATOM 238 O LEU A 17 -35.732 1.352 -3.476 1.00 2.93 O ATOM 239 CB LEU A 17 -33.534 -0.288 -3.280 1.00 2.86 C ATOM 240 CG LEU A 17 -32.379 -1.299 -3.329 1.00 2.99 C ATOM 241 CD1 LEU A 17 -31.841 -1.593 -1.939 1.00 3.21 C ATOM 242 CD2 LEU A 17 -32.834 -2.587 -3.996 1.00 3.29 C ATOM 0 H LEU A 17 -32.292 1.428 -4.631 1.00 3.19 H new ATOM 0 HA LEU A 17 -34.242 -0.650 -5.286 1.00 3.02 H new ATOM 0 HB2 LEU A 17 -33.230 0.569 -2.679 1.00 2.86 H new ATOM 0 HB3 LEU A 17 -34.384 -0.746 -2.775 1.00 2.86 H new ATOM 0 HG LEU A 17 -31.574 -0.857 -3.916 1.00 2.99 H new ATOM 0 HD11 LEU A 17 -31.025 -2.312 -2.009 1.00 3.21 H new ATOM 0 HD12 LEU A 17 -31.474 -0.671 -1.488 1.00 3.21 H new ATOM 0 HD13 LEU A 17 -32.637 -2.007 -1.321 1.00 3.21 H new ATOM 0 HD21 LEU A 17 -32.005 -3.295 -4.024 1.00 3.29 H new ATOM 0 HD22 LEU A 17 -33.660 -3.018 -3.430 1.00 3.29 H new ATOM 0 HD23 LEU A 17 -33.163 -2.373 -5.013 1.00 3.29 H new ATOM 254 N GLU A 18 -35.786 1.456 -5.725 1.00 3.30 N ATOM 255 CA GLU A 18 -37.050 2.182 -5.763 1.00 3.51 C ATOM 256 C GLU A 18 -38.144 1.391 -5.052 1.00 3.51 C ATOM 257 O GLU A 18 -39.128 1.957 -4.580 1.00 3.70 O ATOM 258 CB GLU A 18 -37.491 2.468 -7.193 1.00 3.90 C ATOM 259 CG GLU A 18 -38.339 3.724 -7.288 1.00 4.24 C ATOM 260 CD GLU A 18 -39.109 3.831 -8.586 1.00 4.90 C ATOM 261 OE1 GLU A 18 -40.171 3.183 -8.704 1.00 5.48 O ATOM 262 OE2 GLU A 18 -38.671 4.581 -9.484 1.00 5.09 O ATOM 0 H GLU A 18 -35.368 1.286 -6.640 1.00 3.30 H new ATOM 0 HA GLU A 18 -36.890 3.131 -5.251 1.00 3.51 H new ATOM 0 HB2 GLU A 18 -36.612 2.576 -7.828 1.00 3.90 H new ATOM 0 HB3 GLU A 18 -38.058 1.619 -7.574 1.00 3.90 H new ATOM 0 HG2 GLU A 18 -39.041 3.743 -6.455 1.00 4.24 H new ATOM 0 HG3 GLU A 18 -37.695 4.597 -7.183 1.00 4.24 H new ATOM 269 N ALA A 19 -37.966 0.074 -4.986 1.00 3.41 N ATOM 270 CA ALA A 19 -38.866 -0.786 -4.231 1.00 3.49 C ATOM 271 C ALA A 19 -38.922 -0.343 -2.779 1.00 3.32 C ATOM 272 O ALA A 19 -39.944 -0.479 -2.119 1.00 3.54 O ATOM 273 CB ALA A 19 -38.417 -2.234 -4.321 1.00 3.45 C ATOM 0 H ALA A 19 -37.203 -0.420 -5.449 1.00 3.41 H new ATOM 0 HA ALA A 19 -39.864 -0.705 -4.661 1.00 3.49 H new ATOM 0 HB1 ALA A 19 -39.101 -2.863 -3.751 1.00 3.45 H new ATOM 0 HB2 ALA A 19 -38.417 -2.551 -5.364 1.00 3.45 H new ATOM 0 HB3 ALA A 19 -37.411 -2.329 -3.913 1.00 3.45 H new ATOM 279 N CYS A 20 -37.808 0.201 -2.306 1.00 3.03 N ATOM 280 CA CYS A 20 -37.725 0.764 -0.964 1.00 2.94 C ATOM 281 C CYS A 20 -38.469 2.076 -0.917 1.00 3.13 C ATOM 282 O CYS A 20 -39.176 2.361 0.034 1.00 3.27 O ATOM 283 CB CYS A 20 -36.283 1.022 -0.547 1.00 2.73 C ATOM 284 SG CYS A 20 -36.107 1.504 1.188 1.00 2.75 S ATOM 0 H CYS A 20 -36.940 0.264 -2.839 1.00 3.03 H new ATOM 0 HA CYS A 20 -38.166 0.039 -0.280 1.00 2.94 H new ATOM 0 HB2 CYS A 20 -35.695 0.122 -0.727 1.00 2.73 H new ATOM 0 HB3 CYS A 20 -35.866 1.807 -1.178 1.00 2.73 H new ATOM 0 HG CYS A 20 -36.155 0.445 1.940 1.00 2.75 H new ATOM 290 N ARG A 21 -38.277 2.881 -1.950 1.00 3.24 N ATOM 291 CA ARG A 21 -39.001 4.143 -2.086 1.00 3.55 C ATOM 292 C ARG A 21 -40.510 3.903 -1.942 1.00 3.89 C ATOM 293 O ARG A 21 -41.195 4.541 -1.128 1.00 4.07 O ATOM 294 CB ARG A 21 -38.649 4.780 -3.441 1.00 3.75 C ATOM 295 CG ARG A 21 -39.539 5.934 -3.853 1.00 4.17 C ATOM 296 CD ARG A 21 -38.903 6.749 -4.965 1.00 4.74 C ATOM 297 NE ARG A 21 -39.694 7.935 -5.282 1.00 5.08 N ATOM 298 CZ ARG A 21 -40.220 8.186 -6.477 1.00 5.56 C ATOM 299 NH1 ARG A 21 -39.971 7.377 -7.500 1.00 5.80 N ATOM 300 NH2 ARG A 21 -40.974 9.267 -6.650 1.00 6.10 N ATOM 0 H ARG A 21 -37.625 2.686 -2.710 1.00 3.24 H new ATOM 0 HA ARG A 21 -38.706 4.833 -1.295 1.00 3.55 H new ATOM 0 HB2 ARG A 21 -37.618 5.131 -3.404 1.00 3.75 H new ATOM 0 HB3 ARG A 21 -38.697 4.010 -4.211 1.00 3.75 H new ATOM 0 HG2 ARG A 21 -40.504 5.552 -4.185 1.00 4.17 H new ATOM 0 HG3 ARG A 21 -39.729 6.575 -2.992 1.00 4.17 H new ATOM 0 HD2 ARG A 21 -37.898 7.050 -4.668 1.00 4.74 H new ATOM 0 HD3 ARG A 21 -38.800 6.131 -5.857 1.00 4.74 H new ATOM 0 HE ARG A 21 -39.853 8.615 -4.538 1.00 5.08 H new ATOM 0 HH11 ARG A 21 -39.374 6.560 -7.371 1.00 5.80 H new ATOM 0 HH12 ARG A 21 -40.376 7.573 -8.415 1.00 5.80 H new ATOM 0 HH21 ARG A 21 -41.146 9.899 -5.868 1.00 6.10 H new ATOM 0 HH22 ARG A 21 -41.380 9.465 -7.565 1.00 6.10 H new ATOM 314 N LYS A 22 -40.998 2.931 -2.696 1.00 4.03 N ATOM 315 CA LYS A 22 -42.399 2.539 -2.650 1.00 4.43 C ATOM 316 C LYS A 22 -42.710 1.796 -1.343 1.00 4.38 C ATOM 317 O LYS A 22 -43.852 1.768 -0.880 1.00 4.73 O ATOM 318 CB LYS A 22 -42.710 1.680 -3.882 1.00 4.63 C ATOM 319 CG LYS A 22 -42.591 2.469 -5.183 1.00 4.60 C ATOM 320 CD LYS A 22 -42.531 1.580 -6.419 1.00 4.73 C ATOM 321 CE LYS A 22 -41.211 0.825 -6.513 1.00 4.49 C ATOM 322 NZ LYS A 22 -40.795 0.611 -7.926 1.00 4.77 N ATOM 0 H LYS A 22 -40.437 2.392 -3.356 1.00 4.03 H new ATOM 0 HA LYS A 22 -43.035 3.424 -2.669 1.00 4.43 H new ATOM 0 HB2 LYS A 22 -42.028 0.830 -3.911 1.00 4.63 H new ATOM 0 HB3 LYS A 22 -43.719 1.276 -3.795 1.00 4.63 H new ATOM 0 HG2 LYS A 22 -43.442 3.145 -5.270 1.00 4.60 H new ATOM 0 HG3 LYS A 22 -41.695 3.088 -5.145 1.00 4.60 H new ATOM 0 HD2 LYS A 22 -43.356 0.868 -6.394 1.00 4.73 H new ATOM 0 HD3 LYS A 22 -42.664 2.191 -7.312 1.00 4.73 H new ATOM 0 HE2 LYS A 22 -40.436 1.382 -5.986 1.00 4.49 H new ATOM 0 HE3 LYS A 22 -41.307 -0.139 -6.013 1.00 4.49 H new ATOM 0 HZ1 LYS A 22 -39.929 0.036 -7.950 1.00 4.77 H new ATOM 0 HZ2 LYS A 22 -41.552 0.117 -8.440 1.00 4.77 H new ATOM 0 HZ3 LYS A 22 -40.613 1.530 -8.377 1.00 4.77 H new ATOM 336 N ALA A 23 -41.673 1.217 -0.745 1.00 4.00 N ATOM 337 CA ALA A 23 -41.792 0.536 0.539 1.00 4.00 C ATOM 338 C ALA A 23 -41.948 1.531 1.677 1.00 4.05 C ATOM 339 O ALA A 23 -42.678 1.284 2.620 1.00 4.34 O ATOM 340 CB ALA A 23 -40.574 -0.332 0.799 1.00 3.66 C ATOM 0 H ALA A 23 -40.731 1.207 -1.135 1.00 4.00 H new ATOM 0 HA ALA A 23 -42.683 -0.091 0.494 1.00 4.00 H new ATOM 0 HB1 ALA A 23 -40.682 -0.832 1.762 1.00 3.66 H new ATOM 0 HB2 ALA A 23 -40.485 -1.079 0.010 1.00 3.66 H new ATOM 0 HB3 ALA A 23 -39.679 0.291 0.812 1.00 3.66 H new ATOM 346 N VAL A 24 -41.227 2.636 1.605 1.00 3.82 N ATOM 347 CA VAL A 24 -41.359 3.703 2.591 1.00 3.90 C ATOM 348 C VAL A 24 -42.793 4.219 2.616 1.00 4.37 C ATOM 349 O VAL A 24 -43.394 4.371 3.685 1.00 4.58 O ATOM 350 CB VAL A 24 -40.396 4.878 2.305 1.00 3.69 C ATOM 351 CG1 VAL A 24 -40.577 5.993 3.326 1.00 3.86 C ATOM 352 CG2 VAL A 24 -38.951 4.404 2.295 1.00 3.33 C ATOM 0 H VAL A 24 -40.541 2.821 0.873 1.00 3.82 H new ATOM 0 HA VAL A 24 -41.098 3.281 3.561 1.00 3.90 H new ATOM 0 HB VAL A 24 -40.638 5.273 1.318 1.00 3.69 H new ATOM 0 HG11 VAL A 24 -39.888 6.807 3.102 1.00 3.86 H new ATOM 0 HG12 VAL A 24 -41.601 6.363 3.283 1.00 3.86 H new ATOM 0 HG13 VAL A 24 -40.372 5.608 4.325 1.00 3.86 H new ATOM 0 HG21 VAL A 24 -38.292 5.248 2.092 1.00 3.33 H new ATOM 0 HG22 VAL A 24 -38.702 3.975 3.266 1.00 3.33 H new ATOM 0 HG23 VAL A 24 -38.821 3.648 1.520 1.00 3.33 H new ATOM 362 N TYR A 25 -43.338 4.475 1.432 1.00 4.58 N ATOM 363 CA TYR A 25 -44.746 4.847 1.307 1.00 5.10 C ATOM 364 C TYR A 25 -45.654 3.748 1.886 1.00 5.36 C ATOM 365 O TYR A 25 -46.681 4.037 2.501 1.00 5.71 O ATOM 366 CB TYR A 25 -45.085 5.123 -0.166 1.00 5.32 C ATOM 367 CG TYR A 25 -46.558 5.339 -0.444 1.00 5.87 C ATOM 368 CD1 TYR A 25 -47.219 6.457 0.053 1.00 6.18 C ATOM 369 CD2 TYR A 25 -47.290 4.422 -1.190 1.00 6.12 C ATOM 370 CE1 TYR A 25 -48.566 6.654 -0.187 1.00 6.71 C ATOM 371 CE2 TYR A 25 -48.637 4.612 -1.432 1.00 6.65 C ATOM 372 CZ TYR A 25 -49.257 5.742 -0.980 1.00 6.94 C ATOM 373 OH TYR A 25 -50.611 5.922 -1.166 1.00 7.48 O ATOM 0 H TYR A 25 -42.831 4.433 0.548 1.00 4.58 H new ATOM 0 HA TYR A 25 -44.922 5.757 1.880 1.00 5.10 H new ATOM 0 HB2 TYR A 25 -44.534 6.005 -0.493 1.00 5.32 H new ATOM 0 HB3 TYR A 25 -44.734 4.286 -0.769 1.00 5.32 H new ATOM 0 HD1 TYR A 25 -46.671 7.183 0.636 1.00 6.18 H new ATOM 0 HD2 TYR A 25 -46.797 3.547 -1.587 1.00 6.12 H new ATOM 0 HE1 TYR A 25 -49.077 7.506 0.236 1.00 6.71 H new ATOM 0 HE2 TYR A 25 -49.199 3.868 -1.978 1.00 6.65 H new ATOM 0 HH TYR A 25 -50.959 5.210 -1.742 1.00 7.48 H new ATOM 383 N PHE A 26 -45.256 2.494 1.705 1.00 5.24 N ATOM 384 CA PHE A 26 -46.030 1.360 2.202 1.00 5.55 C ATOM 385 C PHE A 26 -45.889 1.200 3.723 1.00 5.56 C ATOM 386 O PHE A 26 -46.879 1.007 4.428 1.00 5.98 O ATOM 387 CB PHE A 26 -45.587 0.075 1.495 1.00 5.42 C ATOM 388 CG PHE A 26 -46.477 -1.109 1.761 1.00 5.81 C ATOM 389 CD1 PHE A 26 -47.651 -1.290 1.047 1.00 6.32 C ATOM 390 CD2 PHE A 26 -46.138 -2.037 2.733 1.00 5.81 C ATOM 391 CE1 PHE A 26 -48.469 -2.373 1.297 1.00 6.79 C ATOM 392 CE2 PHE A 26 -46.954 -3.124 2.987 1.00 6.37 C ATOM 393 CZ PHE A 26 -48.120 -3.299 2.237 1.00 6.84 C ATOM 0 H PHE A 26 -44.399 2.235 1.216 1.00 5.24 H new ATOM 0 HA PHE A 26 -47.081 1.552 1.985 1.00 5.55 H new ATOM 0 HB2 PHE A 26 -45.553 0.257 0.421 1.00 5.42 H new ATOM 0 HB3 PHE A 26 -44.572 -0.169 1.809 1.00 5.42 H new ATOM 0 HD1 PHE A 26 -47.929 -0.575 0.286 1.00 6.32 H new ATOM 0 HD2 PHE A 26 -45.227 -1.910 3.298 1.00 5.81 H new ATOM 0 HE1 PHE A 26 -49.391 -2.488 0.746 1.00 6.79 H new ATOM 0 HE2 PHE A 26 -46.692 -3.832 3.759 1.00 6.37 H new ATOM 0 HZ PHE A 26 -48.744 -4.165 2.401 1.00 6.84 H new ATOM 403 N THR A 27 -44.656 1.287 4.218 1.00 5.14 N ATOM 404 CA THR A 27 -44.375 1.113 5.643 1.00 5.20 C ATOM 405 C THR A 27 -45.076 2.183 6.478 1.00 5.47 C ATOM 406 O THR A 27 -45.350 1.984 7.663 1.00 5.71 O ATOM 407 CB THR A 27 -42.860 1.144 5.950 1.00 4.75 C ATOM 408 OG1 THR A 27 -42.250 2.276 5.322 1.00 4.44 O ATOM 409 CG2 THR A 27 -42.176 -0.131 5.482 1.00 4.59 C ATOM 0 H THR A 27 -43.831 1.478 3.650 1.00 5.14 H new ATOM 0 HA THR A 27 -44.760 0.129 5.911 1.00 5.20 H new ATOM 0 HB THR A 27 -42.741 1.221 7.031 1.00 4.75 H new ATOM 0 HG1 THR A 27 -42.946 2.863 4.959 1.00 4.44 H new ATOM 0 HG21 THR A 27 -41.112 -0.079 5.712 1.00 4.59 H new ATOM 0 HG22 THR A 27 -42.616 -0.988 5.992 1.00 4.59 H new ATOM 0 HG23 THR A 27 -42.310 -0.242 4.406 1.00 4.59 H new ATOM 417 N GLY A 28 -45.358 3.317 5.846 1.00 5.48 N ATOM 418 CA GLY A 28 -46.047 4.396 6.520 1.00 5.75 C ATOM 419 C GLY A 28 -45.090 5.325 7.227 1.00 5.44 C ATOM 420 O GLY A 28 -45.441 5.931 8.237 1.00 5.64 O ATOM 0 H GLY A 28 -45.119 3.506 4.873 1.00 5.48 H new ATOM 0 HA2 GLY A 28 -46.632 4.962 5.795 1.00 5.75 H new ATOM 0 HA3 GLY A 28 -46.750 3.982 7.243 1.00 5.75 H new ATOM 424 N ASN A 29 -43.876 5.431 6.684 1.00 5.01 N ATOM 425 CA ASN A 29 -42.824 6.263 7.269 1.00 4.73 C ATOM 426 C ASN A 29 -42.439 5.744 8.651 1.00 4.74 C ATOM 427 O ASN A 29 -42.649 6.411 9.663 1.00 4.97 O ATOM 428 CB ASN A 29 -43.269 7.722 7.372 1.00 4.95 C ATOM 429 CG ASN A 29 -42.117 8.663 7.663 1.00 4.86 C ATOM 430 OD1 ASN A 29 -40.993 8.440 7.220 1.00 4.99 O ATOM 431 ND2 ASN A 29 -42.391 9.720 8.417 1.00 5.06 N ATOM 0 H ASN A 29 -43.596 4.946 5.832 1.00 5.01 H new ATOM 0 HA ASN A 29 -41.956 6.211 6.612 1.00 4.73 H new ATOM 0 HB2 ASN A 29 -43.749 8.018 6.439 1.00 4.95 H new ATOM 0 HB3 ASN A 29 -44.017 7.815 8.159 1.00 4.95 H new ATOM 0 HD21 ASN A 29 -41.654 10.386 8.649 1.00 5.06 H new ATOM 0 HD22 ASN A 29 -43.339 9.867 8.764 1.00 5.06 H new ATOM 438 N MET A 30 -41.889 4.542 8.689 1.00 4.58 N ATOM 439 CA MET A 30 -41.455 3.951 9.949 1.00 4.71 C ATOM 440 C MET A 30 -39.994 4.280 10.224 1.00 4.46 C ATOM 441 O MET A 30 -39.492 4.051 11.321 1.00 4.65 O ATOM 442 CB MET A 30 -41.659 2.435 9.940 1.00 4.89 C ATOM 443 CG MET A 30 -43.111 2.001 10.043 1.00 5.35 C ATOM 444 SD MET A 30 -43.844 2.401 11.644 1.00 5.80 S ATOM 445 CE MET A 30 -42.810 1.427 12.740 1.00 6.28 C ATOM 0 H MET A 30 -41.732 3.957 7.868 1.00 4.58 H new ATOM 0 HA MET A 30 -42.065 4.378 10.745 1.00 4.71 H new ATOM 0 HB2 MET A 30 -41.234 2.028 9.022 1.00 4.89 H new ATOM 0 HB3 MET A 30 -41.102 2.000 10.770 1.00 4.89 H new ATOM 0 HG2 MET A 30 -43.687 2.483 9.253 1.00 5.35 H new ATOM 0 HG3 MET A 30 -43.178 0.926 9.875 1.00 5.35 H new ATOM 0 HE1 MET A 30 -43.347 1.230 13.668 1.00 6.28 H new ATOM 0 HE2 MET A 30 -42.559 0.482 12.259 1.00 6.28 H new ATOM 0 HE3 MET A 30 -41.895 1.976 12.960 1.00 6.28 H new ATOM 455 N GLY A 31 -39.316 4.815 9.221 1.00 4.17 N ATOM 456 CA GLY A 31 -37.926 5.184 9.380 1.00 4.03 C ATOM 457 C GLY A 31 -37.034 4.526 8.351 1.00 3.77 C ATOM 458 O GLY A 31 -37.427 3.539 7.720 1.00 3.68 O ATOM 0 H GLY A 31 -39.705 5.001 8.297 1.00 4.17 H new ATOM 0 HA2 GLY A 31 -37.829 6.267 9.302 1.00 4.03 H new ATOM 0 HA3 GLY A 31 -37.591 4.905 10.379 1.00 4.03 H new ATOM 462 N ALA A 32 -35.839 5.082 8.189 1.00 3.73 N ATOM 463 CA ALA A 32 -34.848 4.573 7.246 1.00 3.58 C ATOM 464 C ALA A 32 -34.535 3.103 7.502 1.00 3.72 C ATOM 465 O ALA A 32 -34.509 2.296 6.573 1.00 3.56 O ATOM 466 CB ALA A 32 -33.573 5.401 7.334 1.00 3.73 C ATOM 0 H ALA A 32 -35.528 5.902 8.710 1.00 3.73 H new ATOM 0 HA ALA A 32 -35.266 4.656 6.243 1.00 3.58 H new ATOM 0 HB1 ALA A 32 -32.839 5.015 6.627 1.00 3.73 H new ATOM 0 HB2 ALA A 32 -33.797 6.440 7.093 1.00 3.73 H new ATOM 0 HB3 ALA A 32 -33.170 5.342 8.345 1.00 3.73 H new ATOM 472 N GLU A 33 -34.322 2.758 8.766 1.00 4.10 N ATOM 473 CA GLU A 33 -33.944 1.399 9.141 1.00 4.38 C ATOM 474 C GLU A 33 -35.040 0.400 8.792 1.00 4.28 C ATOM 475 O GLU A 33 -34.760 -0.687 8.292 1.00 4.30 O ATOM 476 CB GLU A 33 -33.624 1.323 10.634 1.00 4.91 C ATOM 477 CG GLU A 33 -32.411 2.147 11.033 1.00 5.11 C ATOM 478 CD GLU A 33 -31.140 1.685 10.354 1.00 5.12 C ATOM 479 OE1 GLU A 33 -30.510 0.725 10.853 1.00 5.46 O ATOM 480 OE2 GLU A 33 -30.752 2.286 9.333 1.00 5.09 O ATOM 0 H GLU A 33 -34.405 3.403 9.552 1.00 4.10 H new ATOM 0 HA GLU A 33 -33.052 1.137 8.572 1.00 4.38 H new ATOM 0 HB2 GLU A 33 -34.489 1.665 11.202 1.00 4.91 H new ATOM 0 HB3 GLU A 33 -33.454 0.282 10.909 1.00 4.91 H new ATOM 0 HG2 GLU A 33 -32.590 3.193 10.785 1.00 5.11 H new ATOM 0 HG3 GLU A 33 -32.280 2.093 12.114 1.00 5.11 H new ATOM 487 N VAL A 34 -36.286 0.779 9.040 1.00 4.27 N ATOM 488 CA VAL A 34 -37.417 -0.103 8.780 1.00 4.34 C ATOM 489 C VAL A 34 -37.528 -0.437 7.296 1.00 4.01 C ATOM 490 O VAL A 34 -37.733 -1.594 6.929 1.00 4.11 O ATOM 491 CB VAL A 34 -38.742 0.513 9.278 1.00 4.54 C ATOM 492 CG1 VAL A 34 -39.936 -0.371 8.926 1.00 4.83 C ATOM 493 CG2 VAL A 34 -38.680 0.752 10.779 1.00 4.88 C ATOM 0 H VAL A 34 -36.540 1.691 9.421 1.00 4.27 H new ATOM 0 HA VAL A 34 -37.235 -1.024 9.334 1.00 4.34 H new ATOM 0 HB VAL A 34 -38.878 1.469 8.773 1.00 4.54 H new ATOM 0 HG11 VAL A 34 -40.852 0.093 9.291 1.00 4.83 H new ATOM 0 HG12 VAL A 34 -39.995 -0.488 7.844 1.00 4.83 H new ATOM 0 HG13 VAL A 34 -39.814 -1.349 9.391 1.00 4.83 H new ATOM 0 HG21 VAL A 34 -39.621 1.187 11.117 1.00 4.88 H new ATOM 0 HG22 VAL A 34 -38.513 -0.195 11.292 1.00 4.88 H new ATOM 0 HG23 VAL A 34 -37.862 1.436 11.005 1.00 4.88 H new ATOM 503 N ALA A 35 -37.371 0.567 6.445 1.00 3.68 N ATOM 504 CA ALA A 35 -37.465 0.344 5.009 1.00 3.42 C ATOM 505 C ALA A 35 -36.195 -0.303 4.466 1.00 3.28 C ATOM 506 O ALA A 35 -36.235 -1.025 3.470 1.00 3.21 O ATOM 507 CB ALA A 35 -37.767 1.629 4.275 1.00 3.22 C ATOM 0 H ALA A 35 -37.181 1.531 6.718 1.00 3.68 H new ATOM 0 HA ALA A 35 -38.293 -0.344 4.838 1.00 3.42 H new ATOM 0 HB1 ALA A 35 -37.831 1.430 3.205 1.00 3.22 H new ATOM 0 HB2 ALA A 35 -38.716 2.034 4.626 1.00 3.22 H new ATOM 0 HB3 ALA A 35 -36.972 2.351 4.463 1.00 3.22 H new ATOM 513 N PHE A 36 -35.068 -0.031 5.122 1.00 3.36 N ATOM 514 CA PHE A 36 -33.825 -0.741 4.842 1.00 3.45 C ATOM 515 C PHE A 36 -34.046 -2.240 5.060 1.00 3.68 C ATOM 516 O PHE A 36 -33.632 -3.074 4.256 1.00 3.69 O ATOM 517 CB PHE A 36 -32.701 -0.225 5.751 1.00 3.70 C ATOM 518 CG PHE A 36 -31.469 -1.087 5.760 1.00 3.98 C ATOM 519 CD1 PHE A 36 -30.581 -1.058 4.698 1.00 3.93 C ATOM 520 CD2 PHE A 36 -31.202 -1.926 6.829 1.00 4.38 C ATOM 521 CE1 PHE A 36 -29.450 -1.848 4.705 1.00 4.29 C ATOM 522 CE2 PHE A 36 -30.073 -2.717 6.841 1.00 4.71 C ATOM 523 CZ PHE A 36 -29.196 -2.679 5.777 1.00 4.66 C ATOM 0 H PHE A 36 -34.992 0.677 5.852 1.00 3.36 H new ATOM 0 HA PHE A 36 -33.530 -0.566 3.807 1.00 3.45 H new ATOM 0 HB2 PHE A 36 -32.425 0.780 5.433 1.00 3.70 H new ATOM 0 HB3 PHE A 36 -33.081 -0.144 6.769 1.00 3.70 H new ATOM 0 HD1 PHE A 36 -30.776 -0.411 3.856 1.00 3.93 H new ATOM 0 HD2 PHE A 36 -31.887 -1.961 7.663 1.00 4.38 H new ATOM 0 HE1 PHE A 36 -28.764 -1.816 3.872 1.00 4.29 H new ATOM 0 HE2 PHE A 36 -29.876 -3.365 7.682 1.00 4.71 H new ATOM 0 HZ PHE A 36 -28.312 -3.299 5.783 1.00 4.66 H new ATOM 533 N ASN A 37 -34.735 -2.569 6.146 1.00 3.94 N ATOM 534 CA ASN A 37 -35.083 -3.949 6.445 1.00 4.25 C ATOM 535 C ASN A 37 -36.087 -4.488 5.436 1.00 4.16 C ATOM 536 O ASN A 37 -35.979 -5.634 4.993 1.00 4.35 O ATOM 537 CB ASN A 37 -35.658 -4.062 7.856 1.00 4.57 C ATOM 538 CG ASN A 37 -34.637 -3.773 8.942 1.00 5.25 C ATOM 539 OD1 ASN A 37 -34.983 -3.275 10.013 1.00 5.69 O ATOM 540 ND2 ASN A 37 -33.372 -4.094 8.685 1.00 5.66 N ATOM 0 H ASN A 37 -35.064 -1.894 6.836 1.00 3.94 H new ATOM 0 HA ASN A 37 -34.172 -4.544 6.382 1.00 4.25 H new ATOM 0 HB2 ASN A 37 -36.493 -3.369 7.958 1.00 4.57 H new ATOM 0 HB3 ASN A 37 -36.057 -5.066 7.999 1.00 4.57 H new ATOM 0 HD21 ASN A 37 -32.651 -3.929 9.388 1.00 5.66 H new ATOM 0 HD22 ASN A 37 -33.123 -4.505 7.785 1.00 5.66 H new ATOM 547 N TRP A 38 -37.058 -3.658 5.064 1.00 3.97 N ATOM 548 CA TRP A 38 -38.082 -4.076 4.120 1.00 4.01 C ATOM 549 C TRP A 38 -37.437 -4.474 2.795 1.00 3.81 C ATOM 550 O TRP A 38 -37.828 -5.455 2.160 1.00 4.02 O ATOM 551 CB TRP A 38 -39.108 -2.954 3.896 1.00 3.96 C ATOM 552 CG TRP A 38 -40.374 -3.447 3.262 1.00 4.29 C ATOM 553 CD1 TRP A 38 -40.642 -3.548 1.926 1.00 4.58 C ATOM 554 CD2 TRP A 38 -41.549 -3.916 3.941 1.00 4.67 C ATOM 555 NE1 TRP A 38 -41.909 -4.044 1.733 1.00 4.88 N ATOM 556 CE2 TRP A 38 -42.483 -4.282 2.955 1.00 4.93 C ATOM 557 CE3 TRP A 38 -41.901 -4.064 5.289 1.00 5.14 C ATOM 558 CZ2 TRP A 38 -43.744 -4.782 3.271 1.00 5.44 C ATOM 559 CZ3 TRP A 38 -43.152 -4.563 5.599 1.00 5.81 C ATOM 560 CH2 TRP A 38 -44.059 -4.918 4.594 1.00 5.87 C ATOM 0 H TRP A 38 -37.154 -2.700 5.401 1.00 3.97 H new ATOM 0 HA TRP A 38 -38.605 -4.938 4.535 1.00 4.01 H new ATOM 0 HB2 TRP A 38 -39.343 -2.486 4.852 1.00 3.96 H new ATOM 0 HB3 TRP A 38 -38.666 -2.184 3.264 1.00 3.96 H new ATOM 0 HD1 TRP A 38 -39.957 -3.277 1.136 1.00 4.58 H new ATOM 0 HE1 TRP A 38 -42.350 -4.208 0.828 1.00 4.88 H new ATOM 0 HE3 TRP A 38 -41.208 -3.793 6.071 1.00 5.14 H new ATOM 0 HZ2 TRP A 38 -44.448 -5.053 2.498 1.00 5.44 H new ATOM 0 HZ3 TRP A 38 -43.435 -4.681 6.635 1.00 5.81 H new ATOM 0 HH2 TRP A 38 -45.028 -5.307 4.870 1.00 5.87 H new ATOM 571 N ILE A 39 -36.413 -3.731 2.405 1.00 3.49 N ATOM 572 CA ILE A 39 -35.771 -3.955 1.127 1.00 3.34 C ATOM 573 C ILE A 39 -34.902 -5.199 1.146 1.00 3.60 C ATOM 574 O ILE A 39 -34.851 -5.923 0.166 1.00 3.69 O ATOM 575 CB ILE A 39 -34.932 -2.740 0.677 1.00 3.04 C ATOM 576 CG1 ILE A 39 -34.884 -2.690 -0.848 1.00 2.98 C ATOM 577 CG2 ILE A 39 -33.511 -2.791 1.238 1.00 3.21 C ATOM 578 CD1 ILE A 39 -36.250 -2.675 -1.495 1.00 3.10 C ATOM 0 H ILE A 39 -36.013 -2.971 2.955 1.00 3.49 H new ATOM 0 HA ILE A 39 -36.575 -4.101 0.405 1.00 3.34 H new ATOM 0 HB ILE A 39 -35.409 -1.840 1.066 1.00 3.04 H new ATOM 0 HG12 ILE A 39 -34.335 -1.801 -1.157 1.00 2.98 H new ATOM 0 HG13 ILE A 39 -34.327 -3.552 -1.214 1.00 2.98 H new ATOM 0 HG21 ILE A 39 -32.954 -1.918 0.898 1.00 3.21 H new ATOM 0 HG22 ILE A 39 -33.550 -2.795 2.327 1.00 3.21 H new ATOM 0 HG23 ILE A 39 -33.015 -3.697 0.890 1.00 3.21 H new ATOM 0 HD11 ILE A 39 -36.139 -2.639 -2.579 1.00 3.10 H new ATOM 0 HD12 ILE A 39 -36.795 -3.577 -1.216 1.00 3.10 H new ATOM 0 HD13 ILE A 39 -36.803 -1.798 -1.158 1.00 3.10 H new ATOM 590 N ILE A 40 -34.224 -5.456 2.255 1.00 3.82 N ATOM 591 CA ILE A 40 -33.336 -6.609 2.326 1.00 4.18 C ATOM 592 C ILE A 40 -34.133 -7.909 2.347 1.00 4.46 C ATOM 593 O ILE A 40 -33.630 -8.967 1.974 1.00 4.72 O ATOM 594 CB ILE A 40 -32.346 -6.516 3.513 1.00 4.46 C ATOM 595 CG1 ILE A 40 -33.053 -6.429 4.865 1.00 4.61 C ATOM 596 CG2 ILE A 40 -31.430 -5.317 3.317 1.00 4.32 C ATOM 597 CD1 ILE A 40 -33.408 -7.778 5.453 1.00 5.04 C ATOM 0 H ILE A 40 -34.269 -4.893 3.105 1.00 3.82 H new ATOM 0 HA ILE A 40 -32.727 -6.608 1.422 1.00 4.18 H new ATOM 0 HB ILE A 40 -31.760 -7.435 3.525 1.00 4.46 H new ATOM 0 HG12 ILE A 40 -32.413 -5.894 5.566 1.00 4.61 H new ATOM 0 HG13 ILE A 40 -33.964 -5.841 4.752 1.00 4.61 H new ATOM 0 HG21 ILE A 40 -30.733 -5.251 4.152 1.00 4.32 H new ATOM 0 HG22 ILE A 40 -30.873 -5.433 2.388 1.00 4.32 H new ATOM 0 HG23 ILE A 40 -32.027 -4.406 3.270 1.00 4.32 H new ATOM 0 HD11 ILE A 40 -33.907 -7.637 6.412 1.00 5.04 H new ATOM 0 HD12 ILE A 40 -34.074 -8.308 4.772 1.00 5.04 H new ATOM 0 HD13 ILE A 40 -32.499 -8.362 5.599 1.00 5.04 H new ATOM 609 N VAL A 41 -35.383 -7.822 2.774 1.00 4.47 N ATOM 610 CA VAL A 41 -36.295 -8.952 2.670 1.00 4.80 C ATOM 611 C VAL A 41 -36.850 -9.073 1.243 1.00 4.72 C ATOM 612 O VAL A 41 -37.053 -10.173 0.733 1.00 5.04 O ATOM 613 CB VAL A 41 -37.469 -8.837 3.671 1.00 4.99 C ATOM 614 CG1 VAL A 41 -38.397 -10.037 3.559 1.00 5.34 C ATOM 615 CG2 VAL A 41 -36.958 -8.699 5.097 1.00 5.37 C ATOM 0 H VAL A 41 -35.788 -6.986 3.194 1.00 4.47 H new ATOM 0 HA VAL A 41 -35.723 -9.847 2.914 1.00 4.80 H new ATOM 0 HB VAL A 41 -38.033 -7.939 3.419 1.00 4.99 H new ATOM 0 HG11 VAL A 41 -39.214 -9.933 4.273 1.00 5.34 H new ATOM 0 HG12 VAL A 41 -38.802 -10.090 2.549 1.00 5.34 H new ATOM 0 HG13 VAL A 41 -37.840 -10.949 3.775 1.00 5.34 H new ATOM 0 HG21 VAL A 41 -37.803 -8.620 5.780 1.00 5.37 H new ATOM 0 HG22 VAL A 41 -36.362 -9.574 5.356 1.00 5.37 H new ATOM 0 HG23 VAL A 41 -36.341 -7.804 5.178 1.00 5.37 H new ATOM 625 N HIS A 42 -37.064 -7.938 0.591 1.00 4.36 N ATOM 626 CA HIS A 42 -37.704 -7.919 -0.726 1.00 4.38 C ATOM 627 C HIS A 42 -36.682 -7.806 -1.864 1.00 4.19 C ATOM 628 O HIS A 42 -37.054 -7.697 -3.032 1.00 4.21 O ATOM 629 CB HIS A 42 -38.694 -6.748 -0.779 1.00 4.29 C ATOM 630 CG HIS A 42 -39.718 -6.856 -1.866 1.00 4.59 C ATOM 631 ND1 HIS A 42 -40.246 -5.760 -2.507 1.00 4.88 N ATOM 632 CD2 HIS A 42 -40.330 -7.936 -2.406 1.00 5.00 C ATOM 633 CE1 HIS A 42 -41.137 -6.161 -3.393 1.00 5.32 C ATOM 634 NE2 HIS A 42 -41.211 -7.475 -3.353 1.00 5.35 N ATOM 0 H HIS A 42 -36.806 -7.018 0.948 1.00 4.36 H new ATOM 0 HA HIS A 42 -38.229 -8.864 -0.867 1.00 4.38 H new ATOM 0 HB2 HIS A 42 -39.206 -6.677 0.181 1.00 4.29 H new ATOM 0 HB3 HIS A 42 -38.136 -5.821 -0.912 1.00 4.29 H new ATOM 0 HD2 HIS A 42 -40.157 -8.969 -2.141 1.00 5.00 H new ATOM 0 HE1 HIS A 42 -41.711 -5.518 -4.044 1.00 5.32 H new ATOM 0 HE2 HIS A 42 -41.821 -8.054 -3.930 1.00 5.35 H new ATOM 643 N MET A 43 -35.399 -7.852 -1.523 1.00 4.14 N ATOM 644 CA MET A 43 -34.326 -7.710 -2.513 1.00 4.14 C ATOM 645 C MET A 43 -34.251 -8.927 -3.427 1.00 4.46 C ATOM 646 O MET A 43 -33.679 -8.859 -4.515 1.00 4.53 O ATOM 647 CB MET A 43 -32.968 -7.463 -1.844 1.00 4.26 C ATOM 648 CG MET A 43 -32.465 -8.613 -0.985 1.00 4.64 C ATOM 649 SD MET A 43 -30.844 -8.275 -0.263 1.00 4.92 S ATOM 650 CE MET A 43 -30.548 -9.800 0.636 1.00 5.73 C ATOM 0 H MET A 43 -35.071 -7.987 -0.567 1.00 4.14 H new ATOM 0 HA MET A 43 -34.567 -6.838 -3.120 1.00 4.14 H new ATOM 0 HB2 MET A 43 -32.229 -7.255 -2.618 1.00 4.26 H new ATOM 0 HB3 MET A 43 -33.041 -6.569 -1.224 1.00 4.26 H new ATOM 0 HG2 MET A 43 -33.182 -8.808 -0.187 1.00 4.64 H new ATOM 0 HG3 MET A 43 -32.409 -9.518 -1.590 1.00 4.64 H new ATOM 0 HE1 MET A 43 -29.707 -9.664 1.316 1.00 5.73 H new ATOM 0 HE2 MET A 43 -31.438 -10.064 1.208 1.00 5.73 H new ATOM 0 HE3 MET A 43 -30.319 -10.599 -0.069 1.00 5.73 H new ATOM 660 N GLU A 44 -34.809 -10.038 -2.959 1.00 4.75 N ATOM 661 CA GLU A 44 -34.867 -11.279 -3.730 1.00 5.13 C ATOM 662 C GLU A 44 -35.553 -11.079 -5.083 1.00 5.18 C ATOM 663 O GLU A 44 -35.409 -11.905 -5.987 1.00 5.55 O ATOM 664 CB GLU A 44 -35.602 -12.352 -2.925 1.00 5.44 C ATOM 665 CG GLU A 44 -36.943 -11.889 -2.376 1.00 5.61 C ATOM 666 CD GLU A 44 -37.659 -12.966 -1.593 1.00 6.04 C ATOM 667 OE1 GLU A 44 -37.268 -13.229 -0.440 1.00 6.20 O ATOM 668 OE2 GLU A 44 -38.606 -13.572 -2.132 1.00 6.34 O ATOM 0 H GLU A 44 -35.235 -10.106 -2.034 1.00 4.75 H new ATOM 0 HA GLU A 44 -33.843 -11.599 -3.925 1.00 5.13 H new ATOM 0 HB2 GLU A 44 -35.760 -13.225 -3.558 1.00 5.44 H new ATOM 0 HB3 GLU A 44 -34.969 -12.670 -2.096 1.00 5.44 H new ATOM 0 HG2 GLU A 44 -36.788 -11.022 -1.734 1.00 5.61 H new ATOM 0 HG3 GLU A 44 -37.576 -11.565 -3.202 1.00 5.61 H new ATOM 675 N GLU A 45 -36.302 -9.986 -5.212 1.00 4.91 N ATOM 676 CA GLU A 45 -36.936 -9.633 -6.472 1.00 5.03 C ATOM 677 C GLU A 45 -35.952 -8.872 -7.359 1.00 4.94 C ATOM 678 O GLU A 45 -35.624 -7.715 -7.090 1.00 4.63 O ATOM 679 CB GLU A 45 -38.175 -8.771 -6.230 1.00 4.92 C ATOM 680 CG GLU A 45 -39.233 -9.430 -5.363 1.00 5.10 C ATOM 681 CD GLU A 45 -39.743 -10.739 -5.941 1.00 5.33 C ATOM 682 OE1 GLU A 45 -40.248 -10.732 -7.085 1.00 5.62 O ATOM 683 OE2 GLU A 45 -39.666 -11.774 -5.245 1.00 5.49 O ATOM 0 H GLU A 45 -36.483 -9.329 -4.453 1.00 4.91 H new ATOM 0 HA GLU A 45 -37.239 -10.553 -6.971 1.00 5.03 H new ATOM 0 HB2 GLU A 45 -37.867 -7.836 -5.761 1.00 4.92 H new ATOM 0 HB3 GLU A 45 -38.618 -8.514 -7.192 1.00 4.92 H new ATOM 0 HG2 GLU A 45 -38.819 -9.614 -4.371 1.00 5.10 H new ATOM 0 HG3 GLU A 45 -40.071 -8.744 -5.237 1.00 5.10 H new ATOM 690 N PRO A 46 -35.489 -9.524 -8.439 1.00 5.34 N ATOM 691 CA PRO A 46 -34.499 -8.965 -9.374 1.00 5.48 C ATOM 692 C PRO A 46 -34.926 -7.641 -9.974 1.00 5.20 C ATOM 693 O PRO A 46 -34.139 -6.699 -10.078 1.00 5.09 O ATOM 694 CB PRO A 46 -34.444 -10.002 -10.506 1.00 6.09 C ATOM 695 CG PRO A 46 -35.644 -10.864 -10.313 1.00 6.22 C ATOM 696 CD PRO A 46 -35.901 -10.870 -8.841 1.00 5.83 C ATOM 0 HA PRO A 46 -33.555 -8.779 -8.862 1.00 5.48 H new ATOM 0 HB2 PRO A 46 -34.461 -9.518 -11.483 1.00 6.09 H new ATOM 0 HB3 PRO A 46 -33.527 -10.589 -10.457 1.00 6.09 H new ATOM 0 HG2 PRO A 46 -36.501 -10.471 -10.859 1.00 6.22 H new ATOM 0 HG3 PRO A 46 -35.466 -11.873 -10.684 1.00 6.22 H new ATOM 0 HD2 PRO A 46 -36.950 -11.057 -8.614 1.00 5.83 H new ATOM 0 HD3 PRO A 46 -35.322 -11.640 -8.332 1.00 5.83 H new ATOM 704 N ASP A 47 -36.179 -7.590 -10.372 1.00 5.24 N ATOM 705 CA ASP A 47 -36.684 -6.508 -11.191 1.00 5.21 C ATOM 706 C ASP A 47 -37.390 -5.451 -10.342 1.00 4.87 C ATOM 707 O ASP A 47 -37.803 -4.404 -10.841 1.00 5.07 O ATOM 708 CB ASP A 47 -37.602 -7.115 -12.254 1.00 5.76 C ATOM 709 CG ASP A 47 -38.360 -6.096 -13.082 1.00 5.90 C ATOM 710 OD1 ASP A 47 -37.746 -5.488 -13.981 1.00 5.92 O ATOM 711 OD2 ASP A 47 -39.577 -5.919 -12.850 1.00 6.09 O ATOM 0 H ASP A 47 -36.876 -8.297 -10.137 1.00 5.24 H new ATOM 0 HA ASP A 47 -35.862 -5.987 -11.682 1.00 5.21 H new ATOM 0 HB2 ASP A 47 -37.004 -7.735 -12.922 1.00 5.76 H new ATOM 0 HB3 ASP A 47 -38.319 -7.773 -11.764 1.00 5.76 H new ATOM 716 N PHE A 48 -37.495 -5.711 -9.043 1.00 4.47 N ATOM 717 CA PHE A 48 -38.043 -4.717 -8.125 1.00 4.28 C ATOM 718 C PHE A 48 -36.982 -3.683 -7.767 1.00 4.06 C ATOM 719 O PHE A 48 -37.288 -2.622 -7.224 1.00 4.10 O ATOM 720 CB PHE A 48 -38.624 -5.369 -6.868 1.00 4.08 C ATOM 721 CG PHE A 48 -40.112 -5.550 -6.953 1.00 4.34 C ATOM 722 CD1 PHE A 48 -40.972 -4.554 -6.524 1.00 4.54 C ATOM 723 CD2 PHE A 48 -40.646 -6.725 -7.452 1.00 4.82 C ATOM 724 CE1 PHE A 48 -42.343 -4.727 -6.596 1.00 5.35 C ATOM 725 CE2 PHE A 48 -42.014 -6.905 -7.526 1.00 5.56 C ATOM 726 CZ PHE A 48 -42.867 -5.862 -7.124 1.00 5.89 C ATOM 0 H PHE A 48 -37.213 -6.588 -8.606 1.00 4.47 H new ATOM 0 HA PHE A 48 -38.863 -4.209 -8.632 1.00 4.28 H new ATOM 0 HB2 PHE A 48 -38.151 -6.339 -6.713 1.00 4.08 H new ATOM 0 HB3 PHE A 48 -38.384 -4.755 -6.000 1.00 4.08 H new ATOM 0 HD1 PHE A 48 -40.569 -3.633 -6.129 1.00 4.54 H new ATOM 0 HD2 PHE A 48 -39.986 -7.511 -7.788 1.00 4.82 H new ATOM 0 HE1 PHE A 48 -43.001 -3.953 -6.229 1.00 5.35 H new ATOM 0 HE2 PHE A 48 -42.423 -7.836 -7.889 1.00 5.56 H new ATOM 0 HZ PHE A 48 -43.936 -5.964 -7.235 1.00 5.89 H new ATOM 736 N ALA A 49 -35.734 -4.002 -8.071 1.00 3.98 N ATOM 737 CA ALA A 49 -34.669 -3.022 -8.026 1.00 3.94 C ATOM 738 C ALA A 49 -34.388 -2.548 -9.435 1.00 4.20 C ATOM 739 O ALA A 49 -33.455 -3.011 -10.098 1.00 4.60 O ATOM 740 CB ALA A 49 -33.416 -3.587 -7.397 1.00 3.76 C ATOM 0 H ALA A 49 -35.436 -4.936 -8.352 1.00 3.98 H new ATOM 0 HA ALA A 49 -34.986 -2.184 -7.405 1.00 3.94 H new ATOM 0 HB1 ALA A 49 -32.640 -2.822 -7.381 1.00 3.76 H new ATOM 0 HB2 ALA A 49 -33.632 -3.905 -6.377 1.00 3.76 H new ATOM 0 HB3 ALA A 49 -33.071 -4.442 -7.978 1.00 3.76 H new ATOM 746 N GLU A 50 -35.223 -1.635 -9.878 1.00 4.24 N ATOM 747 CA GLU A 50 -35.222 -1.170 -11.255 1.00 4.57 C ATOM 748 C GLU A 50 -33.859 -0.612 -11.661 1.00 4.75 C ATOM 749 O GLU A 50 -33.247 0.162 -10.926 1.00 4.95 O ATOM 750 CB GLU A 50 -36.327 -0.133 -11.443 1.00 4.92 C ATOM 751 CG GLU A 50 -37.716 -0.732 -11.281 1.00 5.05 C ATOM 752 CD GLU A 50 -38.519 -0.111 -10.157 1.00 5.48 C ATOM 753 OE1 GLU A 50 -38.085 -0.178 -8.991 1.00 5.96 O ATOM 754 OE2 GLU A 50 -39.619 0.417 -10.435 1.00 5.57 O ATOM 0 H GLU A 50 -35.928 -1.188 -9.292 1.00 4.24 H new ATOM 0 HA GLU A 50 -35.419 -2.019 -11.910 1.00 4.57 H new ATOM 0 HB2 GLU A 50 -36.194 0.671 -10.719 1.00 4.92 H new ATOM 0 HB3 GLU A 50 -36.239 0.312 -12.434 1.00 4.92 H new ATOM 0 HG2 GLU A 50 -38.264 -0.614 -12.216 1.00 5.05 H new ATOM 0 HG3 GLU A 50 -37.622 -1.803 -11.100 1.00 5.05 H new ATOM 761 N PRO A 51 -33.371 -1.021 -12.844 1.00 4.90 N ATOM 762 CA PRO A 51 -32.029 -0.671 -13.325 1.00 5.25 C ATOM 763 C PRO A 51 -31.899 0.798 -13.705 1.00 5.72 C ATOM 764 O PRO A 51 -31.909 1.157 -14.885 1.00 6.20 O ATOM 765 CB PRO A 51 -31.848 -1.562 -14.551 1.00 5.43 C ATOM 766 CG PRO A 51 -33.232 -1.837 -15.035 1.00 5.26 C ATOM 767 CD PRO A 51 -34.103 -1.857 -13.813 1.00 4.99 C ATOM 0 HA PRO A 51 -31.274 -0.822 -12.554 1.00 5.25 H new ATOM 0 HB2 PRO A 51 -31.254 -1.064 -15.317 1.00 5.43 H new ATOM 0 HB3 PRO A 51 -31.329 -2.485 -14.295 1.00 5.43 H new ATOM 0 HG2 PRO A 51 -33.560 -1.069 -15.735 1.00 5.26 H new ATOM 0 HG3 PRO A 51 -33.278 -2.790 -15.563 1.00 5.26 H new ATOM 0 HD2 PRO A 51 -35.094 -1.453 -14.022 1.00 4.99 H new ATOM 0 HD3 PRO A 51 -34.245 -2.871 -13.439 1.00 4.99 H new ATOM 775 N LEU A 52 -31.793 1.641 -12.697 1.00 5.84 N ATOM 776 CA LEU A 52 -31.586 3.062 -12.897 1.00 6.50 C ATOM 777 C LEU A 52 -30.315 3.507 -12.186 1.00 6.46 C ATOM 778 O LEU A 52 -30.283 3.582 -10.957 1.00 6.65 O ATOM 779 CB LEU A 52 -32.794 3.852 -12.383 1.00 7.01 C ATOM 780 CG LEU A 52 -32.710 5.371 -12.566 1.00 7.83 C ATOM 781 CD1 LEU A 52 -32.672 5.733 -14.041 1.00 8.24 C ATOM 782 CD2 LEU A 52 -33.883 6.054 -11.878 1.00 8.24 C ATOM 0 H LEU A 52 -31.848 1.361 -11.718 1.00 5.84 H new ATOM 0 HA LEU A 52 -31.476 3.257 -13.964 1.00 6.50 H new ATOM 0 HB2 LEU A 52 -33.687 3.490 -12.892 1.00 7.01 H new ATOM 0 HB3 LEU A 52 -32.923 3.637 -11.322 1.00 7.01 H new ATOM 0 HG LEU A 52 -31.787 5.722 -12.105 1.00 7.83 H new ATOM 0 HD11 LEU A 52 -32.612 6.816 -14.148 1.00 8.24 H new ATOM 0 HD12 LEU A 52 -31.800 5.274 -14.506 1.00 8.24 H new ATOM 0 HD13 LEU A 52 -33.577 5.369 -14.528 1.00 8.24 H new ATOM 0 HD21 LEU A 52 -33.809 7.133 -12.017 1.00 8.24 H new ATOM 0 HD22 LEU A 52 -34.817 5.696 -12.310 1.00 8.24 H new ATOM 0 HD23 LEU A 52 -33.864 5.824 -10.813 1.00 8.24 H new ATOM 794 N THR A 53 -29.271 3.771 -12.971 1.00 6.46 N ATOM 795 CA THR A 53 -27.981 4.243 -12.463 1.00 6.53 C ATOM 796 C THR A 53 -27.418 3.324 -11.377 1.00 6.07 C ATOM 797 O THR A 53 -27.544 3.595 -10.182 1.00 5.77 O ATOM 798 CB THR A 53 -28.050 5.706 -11.954 1.00 6.80 C ATOM 799 OG1 THR A 53 -29.054 5.862 -10.939 1.00 7.02 O ATOM 800 CG2 THR A 53 -28.349 6.655 -13.102 1.00 7.27 C ATOM 0 H THR A 53 -29.296 3.663 -13.985 1.00 6.46 H new ATOM 0 HA THR A 53 -27.297 4.218 -13.311 1.00 6.53 H new ATOM 0 HB THR A 53 -27.078 5.946 -11.523 1.00 6.80 H new ATOM 0 HG1 THR A 53 -29.304 4.982 -10.588 1.00 7.02 H new ATOM 0 HG21 THR A 53 -28.394 7.677 -12.727 1.00 7.27 H new ATOM 0 HG22 THR A 53 -27.562 6.578 -13.852 1.00 7.27 H new ATOM 0 HG23 THR A 53 -29.306 6.391 -13.552 1.00 7.27 H new ATOM 808 N MET A 54 -26.786 2.241 -11.814 1.00 6.16 N ATOM 809 CA MET A 54 -26.231 1.239 -10.908 1.00 5.89 C ATOM 810 C MET A 54 -24.914 1.725 -10.293 1.00 5.95 C ATOM 811 O MET A 54 -23.889 1.793 -10.978 1.00 6.39 O ATOM 812 CB MET A 54 -26.003 -0.069 -11.665 1.00 6.24 C ATOM 813 CG MET A 54 -25.483 -1.205 -10.797 1.00 6.48 C ATOM 814 SD MET A 54 -26.662 -1.721 -9.537 1.00 7.13 S ATOM 815 CE MET A 54 -25.778 -3.101 -8.807 1.00 7.41 C ATOM 0 H MET A 54 -26.643 2.032 -12.802 1.00 6.16 H new ATOM 0 HA MET A 54 -26.942 1.072 -10.099 1.00 5.89 H new ATOM 0 HB2 MET A 54 -26.941 -0.378 -12.126 1.00 6.24 H new ATOM 0 HB3 MET A 54 -25.294 0.110 -12.474 1.00 6.24 H new ATOM 0 HG2 MET A 54 -25.240 -2.058 -11.431 1.00 6.48 H new ATOM 0 HG3 MET A 54 -24.557 -0.892 -10.315 1.00 6.48 H new ATOM 0 HE1 MET A 54 -26.460 -3.940 -8.673 1.00 7.41 H new ATOM 0 HE2 MET A 54 -24.961 -3.399 -9.464 1.00 7.41 H new ATOM 0 HE3 MET A 54 -25.375 -2.804 -7.839 1.00 7.41 H new ATOM 825 N PRO A 55 -24.927 2.051 -8.989 1.00 5.59 N ATOM 826 CA PRO A 55 -23.779 2.605 -8.281 1.00 5.72 C ATOM 827 C PRO A 55 -23.000 1.554 -7.486 1.00 5.89 C ATOM 828 O PRO A 55 -23.150 0.348 -7.701 1.00 5.88 O ATOM 829 CB PRO A 55 -24.464 3.576 -7.330 1.00 5.35 C ATOM 830 CG PRO A 55 -25.759 2.907 -6.977 1.00 5.07 C ATOM 831 CD PRO A 55 -26.074 1.920 -8.080 1.00 5.14 C ATOM 0 HA PRO A 55 -23.038 3.041 -8.951 1.00 5.72 H new ATOM 0 HB2 PRO A 55 -23.857 3.758 -6.443 1.00 5.35 H new ATOM 0 HB3 PRO A 55 -24.633 4.543 -7.804 1.00 5.35 H new ATOM 0 HG2 PRO A 55 -25.678 2.397 -6.017 1.00 5.07 H new ATOM 0 HG3 PRO A 55 -26.557 3.643 -6.881 1.00 5.07 H new ATOM 0 HD2 PRO A 55 -26.169 0.904 -7.696 1.00 5.14 H new ATOM 0 HD3 PRO A 55 -27.012 2.161 -8.579 1.00 5.14 H new ATOM 839 N GLY A 56 -22.165 2.027 -6.566 1.00 6.30 N ATOM 840 CA GLY A 56 -21.385 1.138 -5.730 1.00 6.57 C ATOM 841 C GLY A 56 -21.013 1.778 -4.405 1.00 6.46 C ATOM 842 O GLY A 56 -21.132 1.147 -3.356 1.00 6.63 O ATOM 0 H GLY A 56 -22.015 3.020 -6.385 1.00 6.30 H new ATOM 0 HA2 GLY A 56 -21.952 0.226 -5.545 1.00 6.57 H new ATOM 0 HA3 GLY A 56 -20.477 0.847 -6.259 1.00 6.57 H new ATOM 846 N TYR A 57 -20.572 3.036 -4.466 1.00 6.36 N ATOM 847 CA TYR A 57 -20.175 3.800 -3.279 1.00 6.35 C ATOM 848 C TYR A 57 -19.110 3.053 -2.475 1.00 6.52 C ATOM 849 O TYR A 57 -19.408 2.376 -1.490 1.00 6.67 O ATOM 850 CB TYR A 57 -21.400 4.112 -2.403 1.00 6.28 C ATOM 851 CG TYR A 57 -21.126 5.068 -1.255 1.00 6.80 C ATOM 852 CD1 TYR A 57 -20.919 6.423 -1.486 1.00 7.08 C ATOM 853 CD2 TYR A 57 -21.071 4.612 0.059 1.00 7.33 C ATOM 854 CE1 TYR A 57 -20.662 7.296 -0.443 1.00 7.82 C ATOM 855 CE2 TYR A 57 -20.817 5.477 1.105 1.00 8.03 C ATOM 856 CZ TYR A 57 -20.634 6.823 0.851 1.00 8.26 C ATOM 857 OH TYR A 57 -20.363 7.684 1.896 1.00 9.15 O ATOM 0 H TYR A 57 -20.480 3.555 -5.339 1.00 6.36 H new ATOM 0 HA TYR A 57 -19.742 4.743 -3.613 1.00 6.35 H new ATOM 0 HB2 TYR A 57 -22.183 4.535 -3.033 1.00 6.28 H new ATOM 0 HB3 TYR A 57 -21.788 3.178 -1.997 1.00 6.28 H new ATOM 0 HD1 TYR A 57 -20.959 6.801 -2.497 1.00 7.08 H new ATOM 0 HD2 TYR A 57 -21.230 3.564 0.264 1.00 7.33 H new ATOM 0 HE1 TYR A 57 -20.484 8.342 -0.642 1.00 7.82 H new ATOM 0 HE2 TYR A 57 -20.762 5.103 2.117 1.00 8.03 H new ATOM 0 HH TYR A 57 -20.383 7.189 2.741 1.00 9.15 H new ATOM 867 N GLY A 58 -17.865 3.175 -2.908 1.00 6.69 N ATOM 868 CA GLY A 58 -16.782 2.490 -2.237 1.00 6.92 C ATOM 869 C GLY A 58 -15.911 1.722 -3.209 1.00 6.80 C ATOM 870 O GLY A 58 -16.304 0.661 -3.696 1.00 6.92 O ATOM 0 H GLY A 58 -17.586 3.736 -3.712 1.00 6.69 H new ATOM 0 HA2 GLY A 58 -16.172 3.215 -1.698 1.00 6.92 H new ATOM 0 HA3 GLY A 58 -17.191 1.804 -1.495 1.00 6.92 H new ATOM 874 N GLY A 59 -14.734 2.259 -3.497 1.00 6.87 N ATOM 875 CA GLY A 59 -13.833 1.621 -4.438 1.00 7.00 C ATOM 876 C GLY A 59 -12.424 1.512 -3.896 1.00 7.03 C ATOM 877 O GLY A 59 -11.462 1.858 -4.585 1.00 7.34 O ATOM 0 H GLY A 59 -14.385 3.129 -3.094 1.00 6.87 H new ATOM 0 HA2 GLY A 59 -14.206 0.625 -4.678 1.00 7.00 H new ATOM 0 HA3 GLY A 59 -13.820 2.189 -5.368 1.00 7.00 H new ATOM 881 N ALA A 60 -12.323 1.060 -2.647 1.00 7.00 N ATOM 882 CA ALA A 60 -11.042 0.832 -1.974 1.00 7.26 C ATOM 883 C ALA A 60 -10.335 2.136 -1.620 1.00 6.98 C ATOM 884 O ALA A 60 -10.267 3.075 -2.420 1.00 7.45 O ATOM 885 CB ALA A 60 -10.128 -0.053 -2.812 1.00 7.80 C ATOM 0 H ALA A 60 -13.133 0.840 -2.068 1.00 7.00 H new ATOM 0 HA ALA A 60 -11.269 0.316 -1.041 1.00 7.26 H new ATOM 0 HB1 ALA A 60 -9.185 -0.204 -2.286 1.00 7.80 H new ATOM 0 HB2 ALA A 60 -10.608 -1.017 -2.979 1.00 7.80 H new ATOM 0 HB3 ALA A 60 -9.935 0.428 -3.771 1.00 7.80 H new ATOM 891 N ALA A 61 -9.809 2.190 -0.405 1.00 6.50 N ATOM 892 CA ALA A 61 -9.054 3.345 0.051 1.00 6.49 C ATOM 893 C ALA A 61 -7.565 3.088 -0.127 1.00 6.14 C ATOM 894 O ALA A 61 -6.801 3.984 -0.486 1.00 6.28 O ATOM 895 CB ALA A 61 -9.372 3.652 1.507 1.00 6.73 C ATOM 0 H ALA A 61 -9.893 1.443 0.285 1.00 6.50 H new ATOM 0 HA ALA A 61 -9.338 4.211 -0.547 1.00 6.49 H new ATOM 0 HB1 ALA A 61 -8.797 4.520 1.830 1.00 6.73 H new ATOM 0 HB2 ALA A 61 -10.436 3.863 1.610 1.00 6.73 H new ATOM 0 HB3 ALA A 61 -9.111 2.793 2.125 1.00 6.73 H new ATOM 901 N SER A 62 -7.164 1.853 0.128 1.00 6.05 N ATOM 902 CA SER A 62 -5.794 1.430 -0.087 1.00 6.07 C ATOM 903 C SER A 62 -5.633 0.867 -1.499 1.00 5.77 C ATOM 904 O SER A 62 -6.483 0.110 -1.976 1.00 5.85 O ATOM 905 CB SER A 62 -5.410 0.395 0.973 1.00 6.77 C ATOM 906 OG SER A 62 -6.570 -0.191 1.545 1.00 7.03 O ATOM 0 H SER A 62 -7.777 1.121 0.488 1.00 6.05 H new ATOM 0 HA SER A 62 -5.125 2.285 0.007 1.00 6.07 H new ATOM 0 HB2 SER A 62 -4.789 -0.380 0.524 1.00 6.77 H new ATOM 0 HB3 SER A 62 -4.814 0.869 1.753 1.00 6.77 H new ATOM 0 HG SER A 62 -6.305 -0.851 2.219 1.00 7.03 H new ATOM 912 N ALA A 63 -4.543 1.234 -2.158 1.00 5.78 N ATOM 913 CA ALA A 63 -4.338 0.888 -3.560 1.00 5.81 C ATOM 914 C ALA A 63 -3.404 -0.309 -3.712 1.00 5.84 C ATOM 915 O ALA A 63 -2.958 -0.629 -4.816 1.00 6.18 O ATOM 916 CB ALA A 63 -3.790 2.094 -4.310 1.00 6.23 C ATOM 0 H ALA A 63 -3.783 1.774 -1.743 1.00 5.78 H new ATOM 0 HA ALA A 63 -5.300 0.605 -3.987 1.00 5.81 H new ATOM 0 HB1 ALA A 63 -3.638 1.833 -5.357 1.00 6.23 H new ATOM 0 HB2 ALA A 63 -4.500 2.919 -4.241 1.00 6.23 H new ATOM 0 HB3 ALA A 63 -2.840 2.395 -3.869 1.00 6.23 H new ATOM 922 N GLY A 64 -3.101 -0.965 -2.602 1.00 5.88 N ATOM 923 CA GLY A 64 -2.270 -2.149 -2.650 1.00 6.25 C ATOM 924 C GLY A 64 -1.353 -2.266 -1.454 1.00 6.50 C ATOM 925 O GLY A 64 -0.689 -1.300 -1.073 1.00 7.09 O ATOM 0 H GLY A 64 -3.416 -0.698 -1.669 1.00 5.88 H new ATOM 0 HA2 GLY A 64 -2.906 -3.033 -2.703 1.00 6.25 H new ATOM 0 HA3 GLY A 64 -1.672 -2.132 -3.561 1.00 6.25 H new ATOM 929 N ALA A 65 -1.318 -3.449 -0.860 1.00 6.31 N ATOM 930 CA ALA A 65 -0.480 -3.698 0.300 1.00 6.70 C ATOM 931 C ALA A 65 0.875 -4.243 -0.129 1.00 6.52 C ATOM 932 O ALA A 65 0.950 -5.226 -0.865 1.00 6.63 O ATOM 933 CB ALA A 65 -1.161 -4.669 1.252 1.00 7.10 C ATOM 0 H ALA A 65 -1.864 -4.255 -1.165 1.00 6.31 H new ATOM 0 HA ALA A 65 -0.326 -2.753 0.821 1.00 6.70 H new ATOM 0 HB1 ALA A 65 -0.518 -4.844 2.115 1.00 7.10 H new ATOM 0 HB2 ALA A 65 -2.109 -4.247 1.585 1.00 7.10 H new ATOM 0 HB3 ALA A 65 -1.344 -5.613 0.739 1.00 7.10 H new ATOM 939 N SER A 66 1.938 -3.592 0.314 1.00 6.56 N ATOM 940 CA SER A 66 3.292 -4.023 -0.005 1.00 6.64 C ATOM 941 C SER A 66 4.232 -3.667 1.144 1.00 6.65 C ATOM 942 O SER A 66 4.089 -2.612 1.765 1.00 7.09 O ATOM 943 CB SER A 66 3.763 -3.372 -1.311 1.00 7.21 C ATOM 944 OG SER A 66 2.889 -3.698 -2.383 1.00 7.60 O ATOM 0 H SER A 66 1.890 -2.758 0.899 1.00 6.56 H new ATOM 0 HA SER A 66 3.300 -5.104 -0.141 1.00 6.64 H new ATOM 0 HB2 SER A 66 3.806 -2.290 -1.188 1.00 7.21 H new ATOM 0 HB3 SER A 66 4.773 -3.707 -1.545 1.00 7.21 H new ATOM 0 HG SER A 66 3.207 -3.271 -3.206 1.00 7.60 H new ATOM 950 N VAL A 67 5.173 -4.550 1.436 1.00 6.47 N ATOM 951 CA VAL A 67 6.100 -4.334 2.537 1.00 6.78 C ATOM 952 C VAL A 67 7.539 -4.289 2.028 1.00 6.57 C ATOM 953 O VAL A 67 7.934 -5.086 1.176 1.00 6.79 O ATOM 954 CB VAL A 67 5.945 -5.426 3.628 1.00 7.44 C ATOM 955 CG1 VAL A 67 6.200 -6.816 3.058 1.00 7.83 C ATOM 956 CG2 VAL A 67 6.862 -5.145 4.811 1.00 8.01 C ATOM 0 H VAL A 67 5.316 -5.422 0.927 1.00 6.47 H new ATOM 0 HA VAL A 67 5.860 -3.372 2.989 1.00 6.78 H new ATOM 0 HB VAL A 67 4.915 -5.398 3.984 1.00 7.44 H new ATOM 0 HG11 VAL A 67 6.084 -7.560 3.847 1.00 7.83 H new ATOM 0 HG12 VAL A 67 5.486 -7.019 2.260 1.00 7.83 H new ATOM 0 HG13 VAL A 67 7.213 -6.865 2.659 1.00 7.83 H new ATOM 0 HG21 VAL A 67 6.735 -5.924 5.563 1.00 8.01 H new ATOM 0 HG22 VAL A 67 7.898 -5.132 4.473 1.00 8.01 H new ATOM 0 HG23 VAL A 67 6.610 -4.178 5.245 1.00 8.01 H new ATOM 966 N PHE A 68 8.305 -3.334 2.531 1.00 6.43 N ATOM 967 CA PHE A 68 9.701 -3.184 2.146 1.00 6.47 C ATOM 968 C PHE A 68 10.599 -3.335 3.365 1.00 6.31 C ATOM 969 O PHE A 68 10.128 -3.238 4.498 1.00 6.38 O ATOM 970 CB PHE A 68 9.930 -1.826 1.492 1.00 6.80 C ATOM 971 CG PHE A 68 9.137 -1.612 0.237 1.00 6.98 C ATOM 972 CD1 PHE A 68 7.858 -1.079 0.289 1.00 7.33 C ATOM 973 CD2 PHE A 68 9.671 -1.942 -0.998 1.00 7.16 C ATOM 974 CE1 PHE A 68 7.128 -0.882 -0.866 1.00 7.87 C ATOM 975 CE2 PHE A 68 8.945 -1.748 -2.157 1.00 7.69 C ATOM 976 CZ PHE A 68 7.670 -1.217 -2.091 1.00 8.06 C ATOM 0 H PHE A 68 7.981 -2.646 3.211 1.00 6.43 H new ATOM 0 HA PHE A 68 9.948 -3.963 1.425 1.00 6.47 H new ATOM 0 HB2 PHE A 68 9.678 -1.043 2.207 1.00 6.80 H new ATOM 0 HB3 PHE A 68 10.990 -1.719 1.262 1.00 6.80 H new ATOM 0 HD1 PHE A 68 7.428 -0.815 1.244 1.00 7.33 H new ATOM 0 HD2 PHE A 68 10.667 -2.356 -1.055 1.00 7.16 H new ATOM 0 HE1 PHE A 68 6.133 -0.466 -0.811 1.00 7.87 H new ATOM 0 HE2 PHE A 68 9.373 -2.011 -3.113 1.00 7.69 H new ATOM 0 HZ PHE A 68 7.100 -1.065 -2.995 1.00 8.06 H new ATOM 986 N GLY A 69 11.884 -3.575 3.133 1.00 6.44 N ATOM 987 CA GLY A 69 12.828 -3.692 4.227 1.00 6.62 C ATOM 988 C GLY A 69 12.686 -4.997 4.979 1.00 6.34 C ATOM 989 O GLY A 69 12.030 -5.054 6.022 1.00 6.59 O ATOM 0 H GLY A 69 12.289 -3.691 2.204 1.00 6.44 H new ATOM 0 HA2 GLY A 69 13.843 -3.610 3.837 1.00 6.62 H new ATOM 0 HA3 GLY A 69 12.683 -2.861 4.918 1.00 6.62 H new ATOM 993 N ALA A 70 13.289 -6.048 4.450 1.00 6.06 N ATOM 994 CA ALA A 70 13.231 -7.355 5.085 1.00 5.92 C ATOM 995 C ALA A 70 14.596 -8.027 5.060 1.00 5.81 C ATOM 996 O ALA A 70 15.273 -8.026 4.031 1.00 5.53 O ATOM 997 CB ALA A 70 12.197 -8.235 4.396 1.00 6.12 C ATOM 0 H ALA A 70 13.825 -6.023 3.582 1.00 6.06 H new ATOM 0 HA ALA A 70 12.935 -7.216 6.125 1.00 5.92 H new ATOM 0 HB1 ALA A 70 12.166 -9.210 4.883 1.00 6.12 H new ATOM 0 HB2 ALA A 70 11.216 -7.764 4.463 1.00 6.12 H new ATOM 0 HB3 ALA A 70 12.468 -8.362 3.348 1.00 6.12 H new ATOM 1003 N SER A 71 14.991 -8.604 6.192 1.00 6.37 N ATOM 1004 CA SER A 71 16.272 -9.289 6.303 1.00 6.69 C ATOM 1005 C SER A 71 16.236 -10.608 5.537 1.00 6.62 C ATOM 1006 O SER A 71 16.018 -11.679 6.106 1.00 7.18 O ATOM 1007 CB SER A 71 16.609 -9.530 7.773 1.00 7.32 C ATOM 1008 OG SER A 71 16.545 -8.317 8.509 1.00 7.65 O ATOM 0 H SER A 71 14.438 -8.609 7.049 1.00 6.37 H new ATOM 0 HA SER A 71 17.048 -8.661 5.866 1.00 6.69 H new ATOM 0 HB2 SER A 71 15.914 -10.255 8.196 1.00 7.32 H new ATOM 0 HB3 SER A 71 17.607 -9.959 7.857 1.00 7.32 H new ATOM 0 HG SER A 71 16.762 -8.492 9.448 1.00 7.65 H new ATOM 1014 N GLY A 72 16.457 -10.507 4.240 1.00 6.18 N ATOM 1015 CA GLY A 72 16.348 -11.647 3.357 1.00 6.25 C ATOM 1016 C GLY A 72 16.150 -11.190 1.933 1.00 5.97 C ATOM 1017 O GLY A 72 16.772 -11.707 1.002 1.00 6.22 O ATOM 0 H GLY A 72 16.715 -9.637 3.774 1.00 6.18 H new ATOM 0 HA2 GLY A 72 17.248 -12.258 3.428 1.00 6.25 H new ATOM 0 HA3 GLY A 72 15.512 -12.275 3.664 1.00 6.25 H new ATOM 1021 N LEU A 73 15.273 -10.209 1.773 1.00 5.83 N ATOM 1022 CA LEU A 73 15.100 -9.533 0.498 1.00 5.94 C ATOM 1023 C LEU A 73 16.196 -8.490 0.358 1.00 5.82 C ATOM 1024 O LEU A 73 16.895 -8.424 -0.656 1.00 6.29 O ATOM 1025 CB LEU A 73 13.721 -8.861 0.405 1.00 6.31 C ATOM 1026 CG LEU A 73 12.545 -9.789 0.073 1.00 6.87 C ATOM 1027 CD1 LEU A 73 12.751 -10.451 -1.280 1.00 7.29 C ATOM 1028 CD2 LEU A 73 12.359 -10.837 1.156 1.00 6.85 C ATOM 0 H LEU A 73 14.667 -9.863 2.517 1.00 5.83 H new ATOM 0 HA LEU A 73 15.163 -10.265 -0.307 1.00 5.94 H new ATOM 0 HB2 LEU A 73 13.513 -8.369 1.355 1.00 6.31 H new ATOM 0 HB3 LEU A 73 13.769 -8.081 -0.355 1.00 6.31 H new ATOM 0 HG LEU A 73 11.640 -9.184 0.027 1.00 6.87 H new ATOM 0 HD11 LEU A 73 11.907 -11.105 -1.497 1.00 7.29 H new ATOM 0 HD12 LEU A 73 12.825 -9.685 -2.052 1.00 7.29 H new ATOM 0 HD13 LEU A 73 13.669 -11.038 -1.262 1.00 7.29 H new ATOM 0 HD21 LEU A 73 11.519 -11.482 0.897 1.00 6.85 H new ATOM 0 HD22 LEU A 73 13.265 -11.437 1.241 1.00 6.85 H new ATOM 0 HD23 LEU A 73 12.159 -10.345 2.108 1.00 6.85 H new ATOM 1040 N ASP A 74 16.348 -7.699 1.408 1.00 5.46 N ATOM 1041 CA ASP A 74 17.409 -6.710 1.492 1.00 5.52 C ATOM 1042 C ASP A 74 18.617 -7.324 2.180 1.00 5.36 C ATOM 1043 O ASP A 74 18.517 -7.788 3.316 1.00 5.45 O ATOM 1044 CB ASP A 74 16.942 -5.487 2.291 1.00 5.72 C ATOM 1045 CG ASP A 74 15.685 -4.847 1.732 1.00 6.00 C ATOM 1046 OD1 ASP A 74 14.576 -5.360 2.005 1.00 6.55 O ATOM 1047 OD2 ASP A 74 15.799 -3.812 1.039 1.00 5.97 O ATOM 0 H ASP A 74 15.739 -7.725 2.226 1.00 5.46 H new ATOM 0 HA ASP A 74 17.673 -6.393 0.483 1.00 5.52 H new ATOM 0 HB2 ASP A 74 16.761 -5.784 3.324 1.00 5.72 H new ATOM 0 HB3 ASP A 74 17.741 -4.746 2.308 1.00 5.72 H new ATOM 1052 N ASN A 75 19.745 -7.353 1.494 1.00 5.42 N ATOM 1053 CA ASN A 75 20.980 -7.846 2.095 1.00 5.53 C ATOM 1054 C ASN A 75 22.060 -6.782 1.987 1.00 5.17 C ATOM 1055 O ASN A 75 23.256 -7.074 1.907 1.00 5.23 O ATOM 1056 CB ASN A 75 21.439 -9.166 1.452 1.00 6.23 C ATOM 1057 CG ASN A 75 22.096 -8.993 0.089 1.00 6.80 C ATOM 1058 OD1 ASN A 75 21.713 -8.134 -0.708 1.00 6.88 O ATOM 1059 ND2 ASN A 75 23.110 -9.800 -0.171 1.00 7.51 N ATOM 0 H ASN A 75 19.836 -7.044 0.526 1.00 5.42 H new ATOM 0 HA ASN A 75 20.790 -8.056 3.148 1.00 5.53 H new ATOM 0 HB2 ASN A 75 22.142 -9.660 2.123 1.00 6.23 H new ATOM 0 HB3 ASN A 75 20.578 -9.827 1.348 1.00 6.23 H new ATOM 0 HD21 ASN A 75 23.607 -9.725 -1.059 1.00 7.51 H new ATOM 0 HD22 ASN A 75 23.396 -10.498 0.516 1.00 7.51 H new ATOM 1066 N GLN A 76 21.614 -5.539 1.972 1.00 5.05 N ATOM 1067 CA GLN A 76 22.509 -4.400 1.893 1.00 4.93 C ATOM 1068 C GLN A 76 23.235 -4.217 3.218 1.00 4.67 C ATOM 1069 O GLN A 76 22.627 -4.325 4.286 1.00 4.88 O ATOM 1070 CB GLN A 76 21.723 -3.133 1.556 1.00 5.47 C ATOM 1071 CG GLN A 76 22.603 -1.914 1.342 1.00 5.74 C ATOM 1072 CD GLN A 76 21.826 -0.616 1.455 1.00 6.61 C ATOM 1073 OE1 GLN A 76 20.646 -0.555 1.113 1.00 7.14 O ATOM 1074 NE2 GLN A 76 22.472 0.422 1.955 1.00 7.04 N ATOM 0 H GLN A 76 20.625 -5.292 2.014 1.00 5.05 H new ATOM 0 HA GLN A 76 23.240 -4.583 1.106 1.00 4.93 H new ATOM 0 HB2 GLN A 76 21.134 -3.309 0.656 1.00 5.47 H new ATOM 0 HB3 GLN A 76 21.019 -2.926 2.362 1.00 5.47 H new ATOM 0 HG2 GLN A 76 23.409 -1.917 2.076 1.00 5.74 H new ATOM 0 HG3 GLN A 76 23.068 -1.972 0.358 1.00 5.74 H new ATOM 0 HE21 GLN A 76 23.451 0.331 2.227 1.00 7.04 H new ATOM 0 HE22 GLN A 76 21.992 1.315 2.069 1.00 7.04 H new ATOM 1083 N PRO A 77 24.550 -3.959 3.164 1.00 4.45 N ATOM 1084 CA PRO A 77 25.351 -3.666 4.352 1.00 4.52 C ATOM 1085 C PRO A 77 24.795 -2.491 5.148 1.00 5.11 C ATOM 1086 O PRO A 77 24.036 -1.679 4.618 1.00 5.41 O ATOM 1087 CB PRO A 77 26.712 -3.296 3.773 1.00 4.27 C ATOM 1088 CG PRO A 77 26.767 -3.988 2.473 1.00 4.17 C ATOM 1089 CD PRO A 77 25.370 -3.952 1.941 1.00 4.44 C ATOM 0 HA PRO A 77 25.371 -4.507 5.045 1.00 4.52 H new ATOM 0 HB2 PRO A 77 26.811 -2.217 3.652 1.00 4.27 H new ATOM 0 HB3 PRO A 77 27.522 -3.618 4.428 1.00 4.27 H new ATOM 0 HG2 PRO A 77 27.459 -3.491 1.793 1.00 4.17 H new ATOM 0 HG3 PRO A 77 27.116 -5.014 2.589 1.00 4.17 H new ATOM 0 HD2 PRO A 77 25.190 -3.061 1.339 1.00 4.44 H new ATOM 0 HD3 PRO A 77 25.157 -4.813 1.307 1.00 4.44 H new ATOM 1097 N PRO A 78 25.196 -2.367 6.421 1.00 5.63 N ATOM 1098 CA PRO A 78 24.692 -1.318 7.303 1.00 6.52 C ATOM 1099 C PRO A 78 25.062 0.060 6.786 1.00 6.80 C ATOM 1100 O PRO A 78 26.238 0.425 6.752 1.00 6.74 O ATOM 1101 CB PRO A 78 25.386 -1.607 8.638 1.00 7.14 C ATOM 1102 CG PRO A 78 26.601 -2.377 8.264 1.00 6.55 C ATOM 1103 CD PRO A 78 26.201 -3.209 7.091 1.00 5.69 C ATOM 0 HA PRO A 78 23.605 -1.319 7.380 1.00 6.52 H new ATOM 0 HB2 PRO A 78 25.645 -0.685 9.159 1.00 7.14 H new ATOM 0 HB3 PRO A 78 24.742 -2.180 9.305 1.00 7.14 H new ATOM 0 HG2 PRO A 78 27.425 -1.710 8.010 1.00 6.55 H new ATOM 0 HG3 PRO A 78 26.940 -3.001 9.091 1.00 6.55 H new ATOM 0 HD2 PRO A 78 27.048 -3.423 6.440 1.00 5.69 H new ATOM 0 HD3 PRO A 78 25.785 -4.168 7.399 1.00 5.69 H new ATOM 1111 N GLU A 79 24.054 0.807 6.372 1.00 7.24 N ATOM 1112 CA GLU A 79 24.239 2.146 5.841 1.00 7.85 C ATOM 1113 C GLU A 79 24.952 3.047 6.836 1.00 8.62 C ATOM 1114 O GLU A 79 25.610 4.005 6.445 1.00 8.98 O ATOM 1115 CB GLU A 79 22.901 2.754 5.435 1.00 8.51 C ATOM 1116 CG GLU A 79 21.750 2.399 6.364 1.00 9.18 C ATOM 1117 CD GLU A 79 21.072 1.094 5.984 1.00 9.68 C ATOM 1118 OE1 GLU A 79 21.504 0.027 6.476 1.00 10.13 O ATOM 1119 OE2 GLU A 79 20.103 1.138 5.199 1.00 9.76 O ATOM 0 H GLU A 79 23.081 0.501 6.395 1.00 7.24 H new ATOM 0 HA GLU A 79 24.869 2.064 4.955 1.00 7.85 H new ATOM 0 HB2 GLU A 79 23.003 3.839 5.399 1.00 8.51 H new ATOM 0 HB3 GLU A 79 22.655 2.423 4.426 1.00 8.51 H new ATOM 0 HG2 GLU A 79 22.122 2.326 7.386 1.00 9.18 H new ATOM 0 HG3 GLU A 79 21.015 3.204 6.349 1.00 9.18 H new ATOM 1126 N GLU A 80 24.827 2.730 8.115 1.00 9.00 N ATOM 1127 CA GLU A 80 25.597 3.409 9.140 1.00 9.80 C ATOM 1128 C GLU A 80 27.084 3.211 8.885 1.00 9.30 C ATOM 1129 O GLU A 80 27.850 4.171 8.826 1.00 9.74 O ATOM 1130 CB GLU A 80 25.217 2.884 10.523 1.00 10.33 C ATOM 1131 CG GLU A 80 26.350 2.965 11.531 1.00 10.80 C ATOM 1132 CD GLU A 80 25.928 2.594 12.935 1.00 11.40 C ATOM 1133 OE1 GLU A 80 25.834 1.382 13.226 1.00 11.78 O ATOM 1134 OE2 GLU A 80 25.688 3.502 13.756 1.00 11.61 O ATOM 0 H GLU A 80 24.199 2.007 8.466 1.00 9.00 H new ATOM 0 HA GLU A 80 25.373 4.475 9.104 1.00 9.80 H new ATOM 0 HB2 GLU A 80 24.366 3.452 10.898 1.00 10.33 H new ATOM 0 HB3 GLU A 80 24.894 1.847 10.434 1.00 10.33 H new ATOM 0 HG2 GLU A 80 27.157 2.304 11.215 1.00 10.80 H new ATOM 0 HG3 GLU A 80 26.752 3.978 11.535 1.00 10.80 H new ATOM 1141 N ILE A 81 27.476 1.963 8.697 1.00 8.42 N ATOM 1142 CA ILE A 81 28.875 1.625 8.538 1.00 7.96 C ATOM 1143 C ILE A 81 29.391 2.004 7.166 1.00 7.34 C ATOM 1144 O ILE A 81 30.492 2.538 7.058 1.00 7.45 O ATOM 1145 CB ILE A 81 29.144 0.138 8.798 1.00 7.44 C ATOM 1146 CG1 ILE A 81 28.915 -0.188 10.272 1.00 8.39 C ATOM 1147 CG2 ILE A 81 30.559 -0.211 8.381 1.00 6.94 C ATOM 1148 CD1 ILE A 81 29.101 -1.652 10.600 1.00 8.28 C ATOM 0 H ILE A 81 26.841 1.166 8.651 1.00 8.42 H new ATOM 0 HA ILE A 81 29.413 2.206 9.287 1.00 7.96 H new ATOM 0 HB ILE A 81 28.452 -0.461 8.205 1.00 7.44 H new ATOM 0 HG12 ILE A 81 29.602 0.402 10.878 1.00 8.39 H new ATOM 0 HG13 ILE A 81 27.905 0.113 10.550 1.00 8.39 H new ATOM 0 HG21 ILE A 81 30.743 -1.269 8.569 1.00 6.94 H new ATOM 0 HG22 ILE A 81 30.687 -0.003 7.319 1.00 6.94 H new ATOM 0 HG23 ILE A 81 31.266 0.388 8.956 1.00 6.94 H new ATOM 0 HD11 ILE A 81 28.923 -1.812 11.663 1.00 8.28 H new ATOM 0 HD12 ILE A 81 28.395 -2.247 10.020 1.00 8.28 H new ATOM 0 HD13 ILE A 81 30.119 -1.954 10.353 1.00 8.28 H new ATOM 1160 N VAL A 82 28.605 1.750 6.120 1.00 6.83 N ATOM 1161 CA VAL A 82 29.028 2.118 4.778 1.00 6.55 C ATOM 1162 C VAL A 82 29.335 3.611 4.762 1.00 7.54 C ATOM 1163 O VAL A 82 30.303 4.051 4.151 1.00 7.57 O ATOM 1164 CB VAL A 82 27.971 1.780 3.697 1.00 6.32 C ATOM 1165 CG1 VAL A 82 27.529 0.330 3.791 1.00 5.50 C ATOM 1166 CG2 VAL A 82 26.772 2.715 3.771 1.00 7.25 C ATOM 0 H VAL A 82 27.691 1.300 6.177 1.00 6.83 H new ATOM 0 HA VAL A 82 29.915 1.534 4.532 1.00 6.55 H new ATOM 0 HB VAL A 82 28.447 1.927 2.727 1.00 6.32 H new ATOM 0 HG11 VAL A 82 26.787 0.125 3.019 1.00 5.50 H new ATOM 0 HG12 VAL A 82 28.390 -0.323 3.649 1.00 5.50 H new ATOM 0 HG13 VAL A 82 27.092 0.146 4.772 1.00 5.50 H new ATOM 0 HG21 VAL A 82 26.053 2.446 2.997 1.00 7.25 H new ATOM 0 HG22 VAL A 82 26.302 2.627 4.750 1.00 7.25 H new ATOM 0 HG23 VAL A 82 27.102 3.743 3.619 1.00 7.25 H new ATOM 1176 N ALA A 83 28.510 4.359 5.493 1.00 8.43 N ATOM 1177 CA ALA A 83 28.679 5.786 5.686 1.00 9.53 C ATOM 1178 C ALA A 83 30.004 6.082 6.374 1.00 9.70 C ATOM 1179 O ALA A 83 30.768 6.930 5.919 1.00 10.09 O ATOM 1180 CB ALA A 83 27.529 6.304 6.526 1.00 10.39 C ATOM 0 H ALA A 83 27.694 3.978 5.973 1.00 8.43 H new ATOM 0 HA ALA A 83 28.684 6.283 4.716 1.00 9.53 H new ATOM 0 HB1 ALA A 83 27.644 7.377 6.679 1.00 10.39 H new ATOM 0 HB2 ALA A 83 26.587 6.110 6.013 1.00 10.39 H new ATOM 0 HB3 ALA A 83 27.527 5.798 7.492 1.00 10.39 H new ATOM 1186 N ILE A 84 30.273 5.371 7.462 1.00 9.53 N ATOM 1187 CA ILE A 84 31.511 5.544 8.213 1.00 9.80 C ATOM 1188 C ILE A 84 32.718 5.264 7.328 1.00 9.04 C ATOM 1189 O ILE A 84 33.707 5.994 7.354 1.00 9.43 O ATOM 1190 CB ILE A 84 31.540 4.604 9.437 1.00 9.84 C ATOM 1191 CG1 ILE A 84 30.435 4.990 10.422 1.00 10.78 C ATOM 1192 CG2 ILE A 84 32.903 4.648 10.117 1.00 10.13 C ATOM 1193 CD1 ILE A 84 29.893 3.828 11.220 1.00 10.71 C ATOM 0 H ILE A 84 29.646 4.664 7.846 1.00 9.53 H new ATOM 0 HA ILE A 84 31.553 6.577 8.557 1.00 9.80 H new ATOM 0 HB ILE A 84 31.364 3.584 9.096 1.00 9.84 H new ATOM 0 HG12 ILE A 84 30.822 5.742 11.110 1.00 10.78 H new ATOM 0 HG13 ILE A 84 29.616 5.453 9.871 1.00 10.78 H new ATOM 0 HG21 ILE A 84 32.902 3.979 10.977 1.00 10.13 H new ATOM 0 HG22 ILE A 84 33.672 4.332 9.412 1.00 10.13 H new ATOM 0 HG23 ILE A 84 33.111 5.665 10.449 1.00 10.13 H new ATOM 0 HD11 ILE A 84 29.114 4.182 11.895 1.00 10.71 H new ATOM 0 HD12 ILE A 84 29.475 3.084 10.542 1.00 10.71 H new ATOM 0 HD13 ILE A 84 30.699 3.378 11.800 1.00 10.71 H new ATOM 1205 N ILE A 85 32.613 4.223 6.521 1.00 8.01 N ATOM 1206 CA ILE A 85 33.697 3.812 5.654 1.00 7.27 C ATOM 1207 C ILE A 85 33.983 4.859 4.583 1.00 7.66 C ATOM 1208 O ILE A 85 35.140 5.209 4.338 1.00 7.73 O ATOM 1209 CB ILE A 85 33.379 2.469 4.995 1.00 6.22 C ATOM 1210 CG1 ILE A 85 33.173 1.407 6.070 1.00 6.07 C ATOM 1211 CG2 ILE A 85 34.488 2.068 4.039 1.00 5.61 C ATOM 1212 CD1 ILE A 85 32.668 0.085 5.541 1.00 5.25 C ATOM 0 H ILE A 85 31.777 3.643 6.450 1.00 8.01 H new ATOM 0 HA ILE A 85 34.588 3.705 6.273 1.00 7.27 H new ATOM 0 HB ILE A 85 32.460 2.563 4.416 1.00 6.22 H new ATOM 0 HG12 ILE A 85 34.117 1.242 6.588 1.00 6.07 H new ATOM 0 HG13 ILE A 85 32.466 1.785 6.808 1.00 6.07 H new ATOM 0 HG21 ILE A 85 34.244 1.110 3.580 1.00 5.61 H new ATOM 0 HG22 ILE A 85 34.591 2.826 3.263 1.00 5.61 H new ATOM 0 HG23 ILE A 85 35.426 1.979 4.587 1.00 5.61 H new ATOM 0 HD11 ILE A 85 32.548 -0.616 6.367 1.00 5.25 H new ATOM 0 HD12 ILE A 85 31.707 0.233 5.048 1.00 5.25 H new ATOM 0 HD13 ILE A 85 33.384 -0.318 4.825 1.00 5.25 H new ATOM 1224 N THR A 86 32.939 5.371 3.948 1.00 8.07 N ATOM 1225 CA THR A 86 33.124 6.416 2.955 1.00 8.77 C ATOM 1226 C THR A 86 33.507 7.740 3.625 1.00 9.82 C ATOM 1227 O THR A 86 34.112 8.613 3.002 1.00 10.38 O ATOM 1228 CB THR A 86 31.903 6.576 2.003 1.00 9.14 C ATOM 1229 OG1 THR A 86 31.993 7.786 1.247 1.00 10.16 O ATOM 1230 CG2 THR A 86 30.581 6.538 2.737 1.00 9.36 C ATOM 0 H THR A 86 31.971 5.086 4.099 1.00 8.07 H new ATOM 0 HA THR A 86 33.952 6.106 2.318 1.00 8.77 H new ATOM 0 HB THR A 86 31.935 5.721 1.327 1.00 9.14 H new ATOM 0 HG1 THR A 86 32.853 7.816 0.779 1.00 10.16 H new ATOM 0 HG21 THR A 86 29.765 6.654 2.023 1.00 9.36 H new ATOM 0 HG22 THR A 86 30.479 5.583 3.253 1.00 9.36 H new ATOM 0 HG23 THR A 86 30.545 7.349 3.464 1.00 9.36 H new ATOM 1238 N SER A 87 33.194 7.867 4.911 1.00 10.16 N ATOM 1239 CA SER A 87 33.656 9.006 5.696 1.00 11.17 C ATOM 1240 C SER A 87 35.146 8.857 6.016 1.00 10.93 C ATOM 1241 O SER A 87 35.851 9.844 6.206 1.00 11.68 O ATOM 1242 CB SER A 87 32.850 9.140 6.990 1.00 11.77 C ATOM 1243 OG SER A 87 31.469 9.324 6.714 1.00 12.35 O ATOM 0 H SER A 87 32.625 7.198 5.430 1.00 10.16 H new ATOM 0 HA SER A 87 33.508 9.910 5.106 1.00 11.17 H new ATOM 0 HB2 SER A 87 32.986 8.248 7.601 1.00 11.77 H new ATOM 0 HB3 SER A 87 33.224 9.984 7.570 1.00 11.77 H new ATOM 0 HG SER A 87 31.048 8.453 6.554 1.00 12.35 H new ATOM 1249 N MET A 88 35.616 7.609 6.067 1.00 9.91 N ATOM 1250 CA MET A 88 37.042 7.328 6.255 1.00 9.62 C ATOM 1251 C MET A 88 37.833 7.792 5.044 1.00 9.52 C ATOM 1252 O MET A 88 39.018 8.106 5.135 1.00 9.66 O ATOM 1253 CB MET A 88 37.290 5.831 6.474 1.00 8.63 C ATOM 1254 CG MET A 88 36.757 5.293 7.792 1.00 8.93 C ATOM 1255 SD MET A 88 37.447 6.143 9.227 1.00 10.15 S ATOM 1256 CE MET A 88 39.195 5.789 9.035 1.00 10.33 C ATOM 0 H MET A 88 35.032 6.778 5.981 1.00 9.91 H new ATOM 0 HA MET A 88 37.371 7.871 7.141 1.00 9.62 H new ATOM 0 HB2 MET A 88 36.831 5.276 5.656 1.00 8.63 H new ATOM 0 HB3 MET A 88 38.362 5.642 6.425 1.00 8.63 H new ATOM 0 HG2 MET A 88 35.671 5.390 7.806 1.00 8.93 H new ATOM 0 HG3 MET A 88 36.983 4.229 7.863 1.00 8.93 H new ATOM 0 HE1 MET A 88 39.713 5.994 9.972 1.00 10.33 H new ATOM 0 HE2 MET A 88 39.327 4.740 8.770 1.00 10.33 H new ATOM 0 HE3 MET A 88 39.609 6.417 8.246 1.00 10.33 H new ATOM 1266 N GLY A 89 37.160 7.826 3.905 1.00 9.41 N ATOM 1267 CA GLY A 89 37.791 8.243 2.673 1.00 9.53 C ATOM 1268 C GLY A 89 37.454 7.314 1.530 1.00 8.82 C ATOM 1269 O GLY A 89 37.736 7.614 0.369 1.00 9.04 O ATOM 0 H GLY A 89 36.177 7.569 3.813 1.00 9.41 H new ATOM 0 HA2 GLY A 89 37.472 9.255 2.425 1.00 9.53 H new ATOM 0 HA3 GLY A 89 38.872 8.274 2.810 1.00 9.53 H new ATOM 1273 N PHE A 90 36.848 6.182 1.863 1.00 8.10 N ATOM 1274 CA PHE A 90 36.470 5.186 0.874 1.00 7.50 C ATOM 1275 C PHE A 90 35.140 5.553 0.237 1.00 8.05 C ATOM 1276 O PHE A 90 34.594 6.623 0.496 1.00 8.89 O ATOM 1277 CB PHE A 90 36.405 3.808 1.540 1.00 6.45 C ATOM 1278 CG PHE A 90 37.718 3.407 2.158 1.00 6.07 C ATOM 1279 CD1 PHE A 90 38.886 3.406 1.411 1.00 5.98 C ATOM 1280 CD2 PHE A 90 37.778 3.010 3.484 1.00 6.07 C ATOM 1281 CE1 PHE A 90 40.086 3.019 1.975 1.00 5.84 C ATOM 1282 CE2 PHE A 90 38.978 2.622 4.054 1.00 5.89 C ATOM 1283 CZ PHE A 90 40.158 2.705 3.293 1.00 5.76 C ATOM 0 H PHE A 90 36.606 5.931 2.822 1.00 8.10 H new ATOM 0 HA PHE A 90 37.218 5.155 0.082 1.00 7.50 H new ATOM 0 HB2 PHE A 90 35.632 3.815 2.308 1.00 6.45 H new ATOM 0 HB3 PHE A 90 36.112 3.063 0.800 1.00 6.45 H new ATOM 0 HD1 PHE A 90 38.857 3.712 0.376 1.00 5.98 H new ATOM 0 HD2 PHE A 90 36.877 3.003 4.080 1.00 6.07 H new ATOM 0 HE1 PHE A 90 40.974 2.966 1.362 1.00 5.84 H new ATOM 0 HE2 PHE A 90 39.008 2.260 5.071 1.00 5.89 H new ATOM 0 HZ PHE A 90 41.116 2.520 3.755 1.00 5.76 H new ATOM 1293 N GLN A 91 34.630 4.679 -0.607 1.00 7.71 N ATOM 1294 CA GLN A 91 33.365 4.914 -1.264 1.00 8.28 C ATOM 1295 C GLN A 91 32.266 4.129 -0.562 1.00 7.66 C ATOM 1296 O GLN A 91 32.534 3.053 -0.032 1.00 6.72 O ATOM 1297 CB GLN A 91 33.461 4.491 -2.727 1.00 8.59 C ATOM 1298 CG GLN A 91 32.173 4.697 -3.496 1.00 9.30 C ATOM 1299 CD GLN A 91 32.233 4.176 -4.915 1.00 9.79 C ATOM 1300 OE1 GLN A 91 33.298 4.120 -5.529 1.00 10.05 O ATOM 1301 NE2 GLN A 91 31.080 3.816 -5.456 1.00 10.16 N ATOM 0 H GLN A 91 35.077 3.796 -0.853 1.00 7.71 H new ATOM 0 HA GLN A 91 33.124 5.976 -1.216 1.00 8.28 H new ATOM 0 HB2 GLN A 91 34.258 5.056 -3.210 1.00 8.59 H new ATOM 0 HB3 GLN A 91 33.741 3.439 -2.776 1.00 8.59 H new ATOM 0 HG2 GLN A 91 31.359 4.200 -2.968 1.00 9.30 H new ATOM 0 HG3 GLN A 91 31.937 5.761 -3.517 1.00 9.30 H new ATOM 0 HE21 GLN A 91 30.220 3.878 -4.912 1.00 10.16 H new ATOM 0 HE22 GLN A 91 31.052 3.476 -6.417 1.00 10.16 H new ATOM 1310 N ARG A 92 31.045 4.656 -0.540 1.00 8.25 N ATOM 1311 CA ARG A 92 29.927 3.952 0.095 1.00 7.79 C ATOM 1312 C ARG A 92 29.764 2.557 -0.504 1.00 7.08 C ATOM 1313 O ARG A 92 29.747 1.563 0.213 1.00 6.21 O ATOM 1314 CB ARG A 92 28.622 4.715 -0.087 1.00 8.69 C ATOM 1315 CG ARG A 92 27.446 4.014 0.566 1.00 8.30 C ATOM 1316 CD ARG A 92 26.160 4.190 -0.218 1.00 8.98 C ATOM 1317 NE ARG A 92 25.643 5.556 -0.172 1.00 10.14 N ATOM 1318 CZ ARG A 92 24.378 5.867 -0.456 1.00 10.93 C ATOM 1319 NH1 ARG A 92 23.550 4.928 -0.898 1.00 10.74 N ATOM 1320 NH2 ARG A 92 23.946 7.110 -0.315 1.00 11.98 N ATOM 0 H ARG A 92 30.802 5.558 -0.949 1.00 8.25 H new ATOM 0 HA ARG A 92 30.153 3.876 1.159 1.00 7.79 H new ATOM 0 HB2 ARG A 92 28.726 5.714 0.336 1.00 8.69 H new ATOM 0 HB3 ARG A 92 28.422 4.839 -1.151 1.00 8.69 H new ATOM 0 HG2 ARG A 92 27.668 2.951 0.661 1.00 8.30 H new ATOM 0 HG3 ARG A 92 27.309 4.403 1.575 1.00 8.30 H new ATOM 0 HD2 ARG A 92 26.333 3.908 -1.257 1.00 8.98 H new ATOM 0 HD3 ARG A 92 25.405 3.509 0.175 1.00 8.98 H new ATOM 0 HE ARG A 92 26.281 6.308 0.090 1.00 10.14 H new ATOM 0 HH11 ARG A 92 23.882 3.971 -1.020 1.00 10.74 H new ATOM 0 HH12 ARG A 92 22.582 5.163 -1.116 1.00 10.74 H new ATOM 0 HH21 ARG A 92 24.582 7.837 0.013 1.00 11.98 H new ATOM 0 HH22 ARG A 92 22.977 7.341 -0.534 1.00 11.98 H new ATOM 1334 N ASN A 93 29.637 2.505 -1.824 1.00 7.66 N ATOM 1335 CA ASN A 93 29.481 1.236 -2.546 1.00 7.40 C ATOM 1336 C ASN A 93 30.660 0.305 -2.286 1.00 6.66 C ATOM 1337 O ASN A 93 30.494 -0.909 -2.156 1.00 6.20 O ATOM 1338 CB ASN A 93 29.351 1.502 -4.043 1.00 8.50 C ATOM 1339 CG ASN A 93 29.081 0.246 -4.852 1.00 8.62 C ATOM 1340 OD1 ASN A 93 28.427 -0.685 -4.380 1.00 8.59 O ATOM 1341 ND2 ASN A 93 29.586 0.209 -6.075 1.00 9.02 N ATOM 0 H ASN A 93 29.638 3.329 -2.425 1.00 7.66 H new ATOM 0 HA ASN A 93 28.576 0.749 -2.183 1.00 7.40 H new ATOM 0 HB2 ASN A 93 28.543 2.215 -4.210 1.00 8.50 H new ATOM 0 HB3 ASN A 93 30.268 1.969 -4.404 1.00 8.50 H new ATOM 0 HD21 ASN A 93 29.439 -0.611 -6.663 1.00 9.02 H new ATOM 0 HD22 ASN A 93 30.122 1.001 -6.430 1.00 9.02 H new ATOM 1348 N GLN A 94 31.846 0.889 -2.188 1.00 6.68 N ATOM 1349 CA GLN A 94 33.052 0.140 -1.878 1.00 6.08 C ATOM 1350 C GLN A 94 32.955 -0.426 -0.468 1.00 5.11 C ATOM 1351 O GLN A 94 33.364 -1.554 -0.201 1.00 4.70 O ATOM 1352 CB GLN A 94 34.268 1.054 -2.038 1.00 6.39 C ATOM 1353 CG GLN A 94 35.507 0.630 -1.264 1.00 5.72 C ATOM 1354 CD GLN A 94 36.744 1.365 -1.736 1.00 6.13 C ATOM 1355 OE1 GLN A 94 37.074 2.436 -1.228 1.00 6.28 O ATOM 1356 NE2 GLN A 94 37.429 0.807 -2.721 1.00 6.56 N ATOM 0 H GLN A 94 31.997 1.889 -2.320 1.00 6.68 H new ATOM 0 HA GLN A 94 33.164 -0.698 -2.566 1.00 6.08 H new ATOM 0 HB2 GLN A 94 34.523 1.110 -3.096 1.00 6.39 H new ATOM 0 HB3 GLN A 94 33.990 2.060 -1.723 1.00 6.39 H new ATOM 0 HG2 GLN A 94 35.355 0.820 -0.202 1.00 5.72 H new ATOM 0 HG3 GLN A 94 35.657 -0.444 -1.377 1.00 5.72 H new ATOM 0 HE21 GLN A 94 37.122 -0.082 -3.115 1.00 6.56 H new ATOM 0 HE22 GLN A 94 38.264 1.266 -3.086 1.00 6.56 H new ATOM 1365 N ALA A 95 32.388 0.372 0.423 1.00 5.10 N ATOM 1366 CA ALA A 95 32.117 -0.052 1.780 1.00 4.58 C ATOM 1367 C ALA A 95 31.098 -1.185 1.795 1.00 4.24 C ATOM 1368 O ALA A 95 31.208 -2.121 2.586 1.00 3.93 O ATOM 1369 CB ALA A 95 31.612 1.134 2.578 1.00 5.22 C ATOM 0 H ALA A 95 32.104 1.331 0.222 1.00 5.10 H new ATOM 0 HA ALA A 95 33.035 -0.426 2.233 1.00 4.58 H new ATOM 0 HB1 ALA A 95 31.406 0.822 3.602 1.00 5.22 H new ATOM 0 HB2 ALA A 95 32.369 1.918 2.583 1.00 5.22 H new ATOM 0 HB3 ALA A 95 30.698 1.516 2.124 1.00 5.22 H new ATOM 1375 N ILE A 96 30.110 -1.103 0.904 1.00 4.61 N ATOM 1376 CA ILE A 96 29.092 -2.134 0.794 1.00 4.48 C ATOM 1377 C ILE A 96 29.709 -3.481 0.432 1.00 4.45 C ATOM 1378 O ILE A 96 29.486 -4.478 1.120 1.00 4.33 O ATOM 1379 CB ILE A 96 28.001 -1.767 -0.242 1.00 5.19 C ATOM 1380 CG1 ILE A 96 26.960 -0.852 0.393 1.00 5.44 C ATOM 1381 CG2 ILE A 96 27.336 -3.010 -0.798 1.00 5.34 C ATOM 1382 CD1 ILE A 96 26.861 0.489 -0.281 1.00 6.39 C ATOM 0 H ILE A 96 29.998 -0.329 0.249 1.00 4.61 H new ATOM 0 HA ILE A 96 28.620 -2.209 1.773 1.00 4.48 H new ATOM 0 HB ILE A 96 28.481 -1.242 -1.068 1.00 5.19 H new ATOM 0 HG12 ILE A 96 25.987 -1.341 0.359 1.00 5.44 H new ATOM 0 HG13 ILE A 96 27.207 -0.706 1.445 1.00 5.44 H new ATOM 0 HG21 ILE A 96 26.574 -2.722 -1.523 1.00 5.34 H new ATOM 0 HG22 ILE A 96 28.084 -3.635 -1.286 1.00 5.34 H new ATOM 0 HG23 ILE A 96 26.871 -3.568 0.015 1.00 5.34 H new ATOM 0 HD11 ILE A 96 26.103 1.092 0.218 1.00 6.39 H new ATOM 0 HD12 ILE A 96 27.824 0.997 -0.224 1.00 6.39 H new ATOM 0 HD13 ILE A 96 26.584 0.351 -1.326 1.00 6.39 H new ATOM 1394 N GLN A 97 30.495 -3.500 -0.636 1.00 4.95 N ATOM 1395 CA GLN A 97 31.164 -4.723 -1.069 1.00 5.42 C ATOM 1396 C GLN A 97 32.007 -5.298 0.051 1.00 5.09 C ATOM 1397 O GLN A 97 31.993 -6.507 0.307 1.00 5.57 O ATOM 1398 CB GLN A 97 32.053 -4.468 -2.276 1.00 6.13 C ATOM 1399 CG GLN A 97 32.758 -5.726 -2.754 1.00 6.88 C ATOM 1400 CD GLN A 97 33.518 -5.547 -4.055 1.00 7.78 C ATOM 1401 OE1 GLN A 97 34.535 -6.203 -4.284 1.00 8.13 O ATOM 1402 NE2 GLN A 97 33.028 -4.678 -4.921 1.00 8.36 N ATOM 0 H GLN A 97 30.686 -2.685 -1.219 1.00 4.95 H new ATOM 0 HA GLN A 97 30.387 -5.436 -1.345 1.00 5.42 H new ATOM 0 HB2 GLN A 97 31.450 -4.062 -3.088 1.00 6.13 H new ATOM 0 HB3 GLN A 97 32.797 -3.712 -2.023 1.00 6.13 H new ATOM 0 HG2 GLN A 97 33.452 -6.058 -1.982 1.00 6.88 H new ATOM 0 HG3 GLN A 97 32.020 -6.518 -2.881 1.00 6.88 H new ATOM 0 HE21 GLN A 97 32.183 -4.153 -4.695 1.00 8.36 H new ATOM 0 HE22 GLN A 97 33.495 -4.532 -5.816 1.00 8.36 H new ATOM 1411 N ALA A 98 32.733 -4.422 0.719 1.00 4.57 N ATOM 1412 CA ALA A 98 33.577 -4.828 1.821 1.00 4.55 C ATOM 1413 C ALA A 98 32.749 -5.491 2.914 1.00 4.70 C ATOM 1414 O ALA A 98 33.016 -6.626 3.290 1.00 5.41 O ATOM 1415 CB ALA A 98 34.332 -3.633 2.368 1.00 4.17 C ATOM 0 H ALA A 98 32.754 -3.423 0.515 1.00 4.57 H new ATOM 0 HA ALA A 98 34.301 -5.557 1.457 1.00 4.55 H new ATOM 0 HB1 ALA A 98 34.964 -3.951 3.197 1.00 4.17 H new ATOM 0 HB2 ALA A 98 34.953 -3.204 1.582 1.00 4.17 H new ATOM 0 HB3 ALA A 98 33.622 -2.884 2.719 1.00 4.17 H new ATOM 1421 N LEU A 99 31.712 -4.800 3.381 1.00 4.31 N ATOM 1422 CA LEU A 99 30.857 -5.331 4.435 1.00 4.67 C ATOM 1423 C LEU A 99 30.176 -6.623 4.003 1.00 5.10 C ATOM 1424 O LEU A 99 29.940 -7.499 4.821 1.00 5.77 O ATOM 1425 CB LEU A 99 29.799 -4.315 4.836 1.00 4.44 C ATOM 1426 CG LEU A 99 30.329 -3.027 5.453 1.00 4.61 C ATOM 1427 CD1 LEU A 99 29.230 -1.996 5.550 1.00 4.82 C ATOM 1428 CD2 LEU A 99 30.896 -3.300 6.826 1.00 5.40 C ATOM 0 H LEU A 99 31.445 -3.874 3.046 1.00 4.31 H new ATOM 0 HA LEU A 99 31.498 -5.543 5.291 1.00 4.67 H new ATOM 0 HB2 LEU A 99 29.212 -4.060 3.954 1.00 4.44 H new ATOM 0 HB3 LEU A 99 29.119 -4.785 5.547 1.00 4.44 H new ATOM 0 HG LEU A 99 31.120 -2.639 4.811 1.00 4.61 H new ATOM 0 HD11 LEU A 99 29.626 -1.082 5.993 1.00 4.82 H new ATOM 0 HD12 LEU A 99 28.846 -1.779 4.553 1.00 4.82 H new ATOM 0 HD13 LEU A 99 28.424 -2.381 6.174 1.00 4.82 H new ATOM 0 HD21 LEU A 99 31.271 -2.371 7.256 1.00 5.40 H new ATOM 0 HD22 LEU A 99 30.115 -3.707 7.468 1.00 5.40 H new ATOM 0 HD23 LEU A 99 31.712 -4.019 6.747 1.00 5.40 H new ATOM 1440 N ARG A 100 29.844 -6.734 2.725 1.00 5.01 N ATOM 1441 CA ARG A 100 29.257 -7.965 2.198 1.00 5.73 C ATOM 1442 C ARG A 100 30.156 -9.150 2.514 1.00 6.63 C ATOM 1443 O ARG A 100 29.705 -10.188 3.001 1.00 7.33 O ATOM 1444 CB ARG A 100 29.063 -7.869 0.687 1.00 5.96 C ATOM 1445 CG ARG A 100 27.862 -7.039 0.268 1.00 5.58 C ATOM 1446 CD ARG A 100 27.906 -6.741 -1.219 1.00 6.19 C ATOM 1447 NE ARG A 100 26.650 -6.183 -1.712 1.00 6.32 N ATOM 1448 CZ ARG A 100 26.514 -5.575 -2.891 1.00 7.08 C ATOM 1449 NH1 ARG A 100 27.545 -5.476 -3.720 1.00 7.71 N ATOM 1450 NH2 ARG A 100 25.335 -5.085 -3.247 1.00 7.36 N ATOM 0 H ARG A 100 29.969 -5.994 2.035 1.00 5.01 H new ATOM 0 HA ARG A 100 28.285 -8.106 2.671 1.00 5.73 H new ATOM 0 HB2 ARG A 100 29.961 -7.440 0.243 1.00 5.96 H new ATOM 0 HB3 ARG A 100 28.956 -8.875 0.280 1.00 5.96 H new ATOM 0 HG2 ARG A 100 26.943 -7.573 0.509 1.00 5.58 H new ATOM 0 HG3 ARG A 100 27.845 -6.105 0.830 1.00 5.58 H new ATOM 0 HD2 ARG A 100 28.716 -6.041 -1.423 1.00 6.19 H new ATOM 0 HD3 ARG A 100 28.132 -7.658 -1.764 1.00 6.19 H new ATOM 0 HE ARG A 100 25.825 -6.263 -1.117 1.00 6.32 H new ATOM 0 HH11 ARG A 100 28.450 -5.867 -3.457 1.00 7.71 H new ATOM 0 HH12 ARG A 100 27.433 -5.009 -4.620 1.00 7.71 H new ATOM 0 HH21 ARG A 100 24.535 -5.174 -2.620 1.00 7.36 H new ATOM 0 HH22 ARG A 100 25.227 -4.619 -4.148 1.00 7.36 H new ATOM 1464 N ALA A 101 31.437 -8.961 2.252 1.00 6.70 N ATOM 1465 CA ALA A 101 32.438 -9.983 2.491 1.00 7.62 C ATOM 1466 C ALA A 101 32.704 -10.167 3.985 1.00 7.91 C ATOM 1467 O ALA A 101 32.902 -11.288 4.457 1.00 8.88 O ATOM 1468 CB ALA A 101 33.712 -9.596 1.765 1.00 7.61 C ATOM 0 H ALA A 101 31.812 -8.094 1.867 1.00 6.70 H new ATOM 0 HA ALA A 101 32.070 -10.936 2.112 1.00 7.62 H new ATOM 0 HB1 ALA A 101 34.474 -10.357 1.936 1.00 7.61 H new ATOM 0 HB2 ALA A 101 33.512 -9.517 0.696 1.00 7.61 H new ATOM 0 HB3 ALA A 101 34.067 -8.636 2.140 1.00 7.61 H new ATOM 1474 N THR A 102 32.703 -9.062 4.726 1.00 7.24 N ATOM 1475 CA THR A 102 33.030 -9.081 6.145 1.00 7.76 C ATOM 1476 C THR A 102 31.825 -9.404 7.026 1.00 8.12 C ATOM 1477 O THR A 102 31.944 -9.436 8.248 1.00 8.79 O ATOM 1478 CB THR A 102 33.607 -7.719 6.562 1.00 7.19 C ATOM 1479 OG1 THR A 102 32.572 -6.727 6.588 1.00 6.44 O ATOM 1480 CG2 THR A 102 34.671 -7.304 5.565 1.00 6.79 C ATOM 0 H THR A 102 32.477 -8.136 4.362 1.00 7.24 H new ATOM 0 HA THR A 102 33.765 -9.873 6.290 1.00 7.76 H new ATOM 0 HB THR A 102 34.040 -7.806 7.559 1.00 7.19 H new ATOM 0 HG1 THR A 102 32.797 -6.037 7.246 1.00 6.44 H new ATOM 0 HG21 THR A 102 35.085 -6.338 5.855 1.00 6.79 H new ATOM 0 HG22 THR A 102 35.466 -8.049 5.550 1.00 6.79 H new ATOM 0 HG23 THR A 102 34.228 -7.226 4.572 1.00 6.79 H new ATOM 1488 N ASN A 103 30.678 -9.649 6.395 1.00 7.78 N ATOM 1489 CA ASN A 103 29.419 -9.878 7.100 1.00 8.03 C ATOM 1490 C ASN A 103 29.015 -8.654 7.915 1.00 7.69 C ATOM 1491 O ASN A 103 28.641 -8.763 9.083 1.00 8.43 O ATOM 1492 CB ASN A 103 29.496 -11.106 8.003 1.00 9.26 C ATOM 1493 CG ASN A 103 29.555 -12.406 7.229 1.00 9.66 C ATOM 1494 OD1 ASN A 103 30.632 -12.904 6.910 1.00 10.09 O ATOM 1495 ND2 ASN A 103 28.396 -12.969 6.925 1.00 9.74 N ATOM 0 H ASN A 103 30.596 -9.694 5.379 1.00 7.78 H new ATOM 0 HA ASN A 103 28.657 -10.060 6.342 1.00 8.03 H new ATOM 0 HB2 ASN A 103 30.378 -11.028 8.639 1.00 9.26 H new ATOM 0 HB3 ASN A 103 28.628 -11.121 8.662 1.00 9.26 H new ATOM 0 HD21 ASN A 103 28.376 -13.848 6.408 1.00 9.74 H new ATOM 0 HD22 ASN A 103 27.523 -12.524 7.208 1.00 9.74 H new ATOM 1502 N ASN A 104 29.098 -7.492 7.276 1.00 6.74 N ATOM 1503 CA ASN A 104 28.706 -6.214 7.873 1.00 6.57 C ATOM 1504 C ASN A 104 29.631 -5.838 9.022 1.00 7.31 C ATOM 1505 O ASN A 104 29.250 -5.079 9.914 1.00 7.80 O ATOM 1506 CB ASN A 104 27.255 -6.247 8.366 1.00 6.81 C ATOM 1507 CG ASN A 104 26.267 -6.675 7.288 1.00 7.28 C ATOM 1508 OD1 ASN A 104 25.226 -7.255 7.582 1.00 7.71 O ATOM 1509 ND2 ASN A 104 26.591 -6.402 6.033 1.00 7.45 N ATOM 0 H ASN A 104 29.442 -7.407 6.320 1.00 6.74 H new ATOM 0 HA ASN A 104 28.789 -5.458 7.092 1.00 6.57 H new ATOM 0 HB2 ASN A 104 27.180 -6.931 9.211 1.00 6.81 H new ATOM 0 HB3 ASN A 104 26.979 -5.258 8.731 1.00 6.81 H new ATOM 0 HD21 ASN A 104 25.967 -6.675 5.274 1.00 7.45 H new ATOM 0 HD22 ASN A 104 27.465 -5.918 5.826 1.00 7.45 H new ATOM 1516 N ASN A 105 30.844 -6.370 8.999 1.00 7.54 N ATOM 1517 CA ASN A 105 31.851 -5.999 9.980 1.00 8.24 C ATOM 1518 C ASN A 105 32.581 -4.761 9.491 1.00 7.62 C ATOM 1519 O ASN A 105 33.280 -4.794 8.479 1.00 6.99 O ATOM 1520 CB ASN A 105 32.848 -7.135 10.201 1.00 8.91 C ATOM 1521 CG ASN A 105 33.705 -6.905 11.433 1.00 9.80 C ATOM 1522 OD1 ASN A 105 34.768 -6.286 11.361 1.00 10.00 O ATOM 1523 ND2 ASN A 105 33.248 -7.393 12.576 1.00 10.49 N ATOM 0 H ASN A 105 31.154 -7.058 8.313 1.00 7.54 H new ATOM 0 HA ASN A 105 31.359 -5.794 10.931 1.00 8.24 H new ATOM 0 HB2 ASN A 105 32.308 -8.076 10.305 1.00 8.91 H new ATOM 0 HB3 ASN A 105 33.490 -7.230 9.325 1.00 8.91 H new ATOM 0 HD21 ASN A 105 33.781 -7.262 13.436 1.00 10.49 H new ATOM 0 HD22 ASN A 105 32.363 -7.900 12.597 1.00 10.49 H new ATOM 1530 N LEU A 106 32.391 -3.674 10.226 1.00 7.99 N ATOM 1531 CA LEU A 106 32.921 -2.361 9.875 1.00 7.70 C ATOM 1532 C LEU A 106 34.434 -2.398 9.729 1.00 7.69 C ATOM 1533 O LEU A 106 34.989 -2.062 8.686 1.00 6.94 O ATOM 1534 CB LEU A 106 32.528 -1.366 10.976 1.00 8.64 C ATOM 1535 CG LEU A 106 33.063 0.067 10.840 1.00 8.79 C ATOM 1536 CD1 LEU A 106 32.079 1.039 11.455 1.00 9.54 C ATOM 1537 CD2 LEU A 106 34.410 0.219 11.524 1.00 9.40 C ATOM 0 H LEU A 106 31.857 -3.678 11.095 1.00 7.99 H new ATOM 0 HA LEU A 106 32.503 -2.054 8.916 1.00 7.70 H new ATOM 0 HB2 LEU A 106 31.440 -1.319 11.019 1.00 8.64 H new ATOM 0 HB3 LEU A 106 32.867 -1.766 11.932 1.00 8.64 H new ATOM 0 HG LEU A 106 33.188 0.281 9.779 1.00 8.79 H new ATOM 0 HD11 LEU A 106 32.462 2.055 11.357 1.00 9.54 H new ATOM 0 HD12 LEU A 106 31.121 0.961 10.941 1.00 9.54 H new ATOM 0 HD13 LEU A 106 31.945 0.802 12.510 1.00 9.54 H new ATOM 0 HD21 LEU A 106 34.762 1.244 11.410 1.00 9.40 H new ATOM 0 HD22 LEU A 106 34.308 -0.014 12.584 1.00 9.40 H new ATOM 0 HD23 LEU A 106 35.128 -0.464 11.070 1.00 9.40 H new ATOM 1549 N GLU A 107 35.076 -2.787 10.811 1.00 8.63 N ATOM 1550 CA GLU A 107 36.530 -2.871 10.885 1.00 8.84 C ATOM 1551 C GLU A 107 37.100 -3.780 9.798 1.00 8.19 C ATOM 1552 O GLU A 107 38.070 -3.429 9.126 1.00 7.74 O ATOM 1553 CB GLU A 107 36.923 -3.386 12.264 1.00 10.06 C ATOM 1554 CG GLU A 107 36.415 -2.506 13.392 1.00 10.88 C ATOM 1555 CD GLU A 107 37.366 -1.375 13.738 1.00 11.25 C ATOM 1556 OE1 GLU A 107 37.507 -0.432 12.935 1.00 11.82 O ATOM 1557 OE2 GLU A 107 37.964 -1.424 14.833 1.00 11.09 O ATOM 0 H GLU A 107 34.604 -3.057 11.674 1.00 8.63 H new ATOM 0 HA GLU A 107 36.946 -1.876 10.723 1.00 8.84 H new ATOM 0 HB2 GLU A 107 36.533 -4.395 12.394 1.00 10.06 H new ATOM 0 HB3 GLU A 107 38.009 -3.454 12.325 1.00 10.06 H new ATOM 0 HG2 GLU A 107 35.449 -2.087 13.111 1.00 10.88 H new ATOM 0 HG3 GLU A 107 36.251 -3.119 14.278 1.00 10.88 H new ATOM 1564 N ARG A 108 36.494 -4.946 9.626 1.00 8.29 N ATOM 1565 CA ARG A 108 36.938 -5.892 8.618 1.00 8.02 C ATOM 1566 C ARG A 108 36.654 -5.359 7.220 1.00 6.88 C ATOM 1567 O ARG A 108 37.347 -5.704 6.273 1.00 6.69 O ATOM 1568 CB ARG A 108 36.236 -7.230 8.799 1.00 8.62 C ATOM 1569 CG ARG A 108 36.861 -8.382 8.041 1.00 8.99 C ATOM 1570 CD ARG A 108 36.033 -9.630 8.233 1.00 9.70 C ATOM 1571 NE ARG A 108 36.159 -10.171 9.590 1.00 10.72 N ATOM 1572 CZ ARG A 108 35.173 -10.778 10.258 1.00 11.45 C ATOM 1573 NH1 ARG A 108 33.962 -10.895 9.719 1.00 11.31 N ATOM 1574 NH2 ARG A 108 35.398 -11.246 11.479 1.00 12.41 N ATOM 0 H ARG A 108 35.692 -5.258 10.174 1.00 8.29 H new ATOM 0 HA ARG A 108 38.013 -6.030 8.736 1.00 8.02 H new ATOM 0 HB2 ARG A 108 36.222 -7.477 9.861 1.00 8.62 H new ATOM 0 HB3 ARG A 108 35.198 -7.126 8.483 1.00 8.62 H new ATOM 0 HG2 ARG A 108 36.927 -8.138 6.981 1.00 8.99 H new ATOM 0 HG3 ARG A 108 37.878 -8.552 8.393 1.00 8.99 H new ATOM 0 HD2 ARG A 108 34.986 -9.405 8.028 1.00 9.70 H new ATOM 0 HD3 ARG A 108 36.344 -10.386 7.511 1.00 9.70 H new ATOM 0 HE ARG A 108 37.061 -10.078 10.056 1.00 10.72 H new ATOM 0 HH11 ARG A 108 33.780 -10.520 8.788 1.00 11.31 H new ATOM 0 HH12 ARG A 108 33.216 -11.360 10.237 1.00 11.31 H new ATOM 0 HH21 ARG A 108 36.320 -11.142 11.903 1.00 12.41 H new ATOM 0 HH22 ARG A 108 34.649 -11.710 11.993 1.00 12.41 H new ATOM 1588 N ALA A 109 35.618 -4.540 7.085 1.00 6.30 N ATOM 1589 CA ALA A 109 35.298 -3.943 5.804 1.00 5.34 C ATOM 1590 C ALA A 109 36.436 -3.038 5.377 1.00 5.09 C ATOM 1591 O ALA A 109 36.945 -3.140 4.271 1.00 4.76 O ATOM 1592 CB ALA A 109 34.012 -3.141 5.879 1.00 5.03 C ATOM 0 H ALA A 109 34.991 -4.278 7.845 1.00 6.30 H new ATOM 0 HA ALA A 109 35.159 -4.741 5.075 1.00 5.34 H new ATOM 0 HB1 ALA A 109 33.798 -2.705 4.903 1.00 5.03 H new ATOM 0 HB2 ALA A 109 33.191 -3.796 6.172 1.00 5.03 H new ATOM 0 HB3 ALA A 109 34.122 -2.345 6.616 1.00 5.03 H new ATOM 1598 N LEU A 110 36.837 -2.160 6.286 1.00 5.51 N ATOM 1599 CA LEU A 110 37.975 -1.286 6.069 1.00 5.52 C ATOM 1600 C LEU A 110 39.227 -2.119 5.846 1.00 5.67 C ATOM 1601 O LEU A 110 40.077 -1.781 5.030 1.00 5.40 O ATOM 1602 CB LEU A 110 38.158 -0.387 7.284 1.00 6.35 C ATOM 1603 CG LEU A 110 36.930 0.434 7.660 1.00 6.65 C ATOM 1604 CD1 LEU A 110 37.038 0.912 9.094 1.00 7.78 C ATOM 1605 CD2 LEU A 110 36.773 1.609 6.715 1.00 6.44 C ATOM 0 H LEU A 110 36.383 -2.036 7.191 1.00 5.51 H new ATOM 0 HA LEU A 110 37.799 -0.670 5.187 1.00 5.52 H new ATOM 0 HB2 LEU A 110 38.440 -1.005 8.137 1.00 6.35 H new ATOM 0 HB3 LEU A 110 38.989 0.293 7.094 1.00 6.35 H new ATOM 0 HG LEU A 110 36.046 -0.197 7.573 1.00 6.65 H new ATOM 0 HD11 LEU A 110 36.155 1.497 9.350 1.00 7.78 H new ATOM 0 HD12 LEU A 110 37.109 0.052 9.760 1.00 7.78 H new ATOM 0 HD13 LEU A 110 37.928 1.531 9.205 1.00 7.78 H new ATOM 0 HD21 LEU A 110 35.892 2.186 6.996 1.00 6.44 H new ATOM 0 HD22 LEU A 110 37.657 2.244 6.774 1.00 6.44 H new ATOM 0 HD23 LEU A 110 36.657 1.243 5.695 1.00 6.44 H new ATOM 1617 N ASP A 111 39.317 -3.208 6.596 1.00 6.32 N ATOM 1618 CA ASP A 111 40.374 -4.208 6.426 1.00 6.81 C ATOM 1619 C ASP A 111 40.401 -4.701 4.987 1.00 6.41 C ATOM 1620 O ASP A 111 41.439 -4.704 4.317 1.00 6.49 O ATOM 1621 CB ASP A 111 40.112 -5.409 7.338 1.00 7.75 C ATOM 1622 CG ASP A 111 41.354 -6.240 7.583 1.00 8.59 C ATOM 1623 OD1 ASP A 111 41.716 -7.050 6.701 1.00 8.94 O ATOM 1624 OD2 ASP A 111 41.988 -6.072 8.642 1.00 9.04 O ATOM 0 H ASP A 111 38.659 -3.428 7.344 1.00 6.32 H new ATOM 0 HA ASP A 111 41.327 -3.744 6.681 1.00 6.81 H new ATOM 0 HB2 ASP A 111 39.722 -5.056 8.293 1.00 7.75 H new ATOM 0 HB3 ASP A 111 39.342 -6.038 6.891 1.00 7.75 H new ATOM 1629 N TRP A 112 39.226 -5.106 4.532 1.00 6.15 N ATOM 1630 CA TRP A 112 39.028 -5.641 3.198 1.00 6.12 C ATOM 1631 C TRP A 112 39.328 -4.585 2.146 1.00 5.57 C ATOM 1632 O TRP A 112 40.039 -4.836 1.173 1.00 5.97 O ATOM 1633 CB TRP A 112 37.583 -6.130 3.073 1.00 6.03 C ATOM 1634 CG TRP A 112 37.339 -6.998 1.872 1.00 6.48 C ATOM 1635 CD1 TRP A 112 36.651 -6.668 0.739 1.00 6.79 C ATOM 1636 CD2 TRP A 112 37.784 -8.349 1.689 1.00 7.05 C ATOM 1637 NE1 TRP A 112 36.641 -7.731 -0.131 1.00 7.45 N ATOM 1638 CE2 TRP A 112 37.330 -8.771 0.427 1.00 7.60 C ATOM 1639 CE3 TRP A 112 38.524 -9.242 2.472 1.00 7.41 C ATOM 1640 CZ2 TRP A 112 37.590 -10.047 -0.071 1.00 8.41 C ATOM 1641 CZ3 TRP A 112 38.780 -10.508 1.975 1.00 8.25 C ATOM 1642 CH2 TRP A 112 38.316 -10.898 0.713 1.00 8.69 C ATOM 0 H TRP A 112 38.372 -5.071 5.088 1.00 6.15 H new ATOM 0 HA TRP A 112 39.712 -6.474 3.035 1.00 6.12 H new ATOM 0 HB2 TRP A 112 37.319 -6.687 3.972 1.00 6.03 H new ATOM 0 HB3 TRP A 112 36.920 -5.266 3.026 1.00 6.03 H new ATOM 0 HD1 TRP A 112 36.184 -5.712 0.554 1.00 6.79 H new ATOM 0 HE1 TRP A 112 36.191 -7.742 -1.047 1.00 7.45 H new ATOM 0 HE3 TRP A 112 38.888 -8.949 3.446 1.00 7.41 H new ATOM 0 HZ2 TRP A 112 37.230 -10.352 -1.043 1.00 8.41 H new ATOM 0 HZ3 TRP A 112 39.348 -11.207 2.571 1.00 8.25 H new ATOM 0 HH2 TRP A 112 38.537 -11.892 0.352 1.00 8.69 H new ATOM 1653 N ILE A 113 38.791 -3.400 2.369 1.00 4.92 N ATOM 1654 CA ILE A 113 38.975 -2.281 1.469 1.00 4.71 C ATOM 1655 C ILE A 113 40.441 -1.850 1.414 1.00 4.95 C ATOM 1656 O ILE A 113 40.954 -1.507 0.356 1.00 5.25 O ATOM 1657 CB ILE A 113 38.089 -1.089 1.888 1.00 4.41 C ATOM 1658 CG1 ILE A 113 36.611 -1.473 1.794 1.00 4.22 C ATOM 1659 CG2 ILE A 113 38.381 0.118 1.012 1.00 4.75 C ATOM 1660 CD1 ILE A 113 35.659 -0.347 2.098 1.00 4.30 C ATOM 0 H ILE A 113 38.213 -3.188 3.182 1.00 4.92 H new ATOM 0 HA ILE A 113 38.676 -2.608 0.473 1.00 4.71 H new ATOM 0 HB ILE A 113 38.316 -0.828 2.922 1.00 4.41 H new ATOM 0 HG12 ILE A 113 36.407 -1.845 0.790 1.00 4.22 H new ATOM 0 HG13 ILE A 113 36.416 -2.294 2.484 1.00 4.22 H new ATOM 0 HG21 ILE A 113 37.749 0.951 1.319 1.00 4.75 H new ATOM 0 HG22 ILE A 113 39.429 0.399 1.117 1.00 4.75 H new ATOM 0 HG23 ILE A 113 38.175 -0.130 -0.029 1.00 4.75 H new ATOM 0 HD11 ILE A 113 34.633 -0.704 2.009 1.00 4.30 H new ATOM 0 HD12 ILE A 113 35.832 0.011 3.113 1.00 4.30 H new ATOM 0 HD13 ILE A 113 35.822 0.468 1.393 1.00 4.30 H new ATOM 1672 N PHE A 114 41.116 -1.898 2.556 1.00 5.07 N ATOM 1673 CA PHE A 114 42.525 -1.530 2.639 1.00 5.37 C ATOM 1674 C PHE A 114 43.378 -2.511 1.847 1.00 5.85 C ATOM 1675 O PHE A 114 44.463 -2.177 1.373 1.00 6.10 O ATOM 1676 CB PHE A 114 42.979 -1.523 4.096 1.00 5.75 C ATOM 1677 CG PHE A 114 44.326 -0.884 4.308 1.00 6.09 C ATOM 1678 CD1 PHE A 114 44.446 0.496 4.383 1.00 6.53 C ATOM 1679 CD2 PHE A 114 45.471 -1.659 4.427 1.00 6.17 C ATOM 1680 CE1 PHE A 114 45.680 1.089 4.574 1.00 6.91 C ATOM 1681 CE2 PHE A 114 46.707 -1.069 4.617 1.00 6.62 C ATOM 1682 CZ PHE A 114 46.810 0.308 4.690 1.00 6.92 C ATOM 0 H PHE A 114 40.707 -2.190 3.444 1.00 5.07 H new ATOM 0 HA PHE A 114 42.646 -0.532 2.217 1.00 5.37 H new ATOM 0 HB2 PHE A 114 42.238 -0.995 4.696 1.00 5.75 H new ATOM 0 HB3 PHE A 114 43.012 -2.549 4.462 1.00 5.75 H new ATOM 0 HD1 PHE A 114 43.565 1.114 4.291 1.00 6.53 H new ATOM 0 HD2 PHE A 114 45.396 -2.735 4.371 1.00 6.17 H new ATOM 0 HE1 PHE A 114 45.759 2.165 4.632 1.00 6.91 H new ATOM 0 HE2 PHE A 114 47.591 -1.683 4.708 1.00 6.62 H new ATOM 0 HZ PHE A 114 47.774 0.771 4.838 1.00 6.92 H new ATOM 1692 N SER A 115 42.869 -3.723 1.714 1.00 6.19 N ATOM 1693 CA SER A 115 43.529 -4.757 0.945 1.00 7.00 C ATOM 1694 C SER A 115 43.322 -4.509 -0.548 1.00 7.20 C ATOM 1695 O SER A 115 43.838 -5.233 -1.397 1.00 8.04 O ATOM 1696 CB SER A 115 42.976 -6.116 1.362 1.00 7.59 C ATOM 1697 OG SER A 115 43.175 -6.344 2.752 1.00 8.33 O ATOM 0 H SER A 115 41.988 -4.015 2.136 1.00 6.19 H new ATOM 0 HA SER A 115 44.601 -4.741 1.139 1.00 7.00 H new ATOM 0 HB2 SER A 115 41.912 -6.166 1.131 1.00 7.59 H new ATOM 0 HB3 SER A 115 43.464 -6.903 0.787 1.00 7.59 H new ATOM 0 HG SER A 115 42.571 -5.770 3.267 1.00 8.33 H new ATOM 1703 N HIS A 116 42.562 -3.466 -0.849 1.00 6.66 N ATOM 1704 CA HIS A 116 42.395 -2.992 -2.211 1.00 7.16 C ATOM 1705 C HIS A 116 42.506 -1.468 -2.213 1.00 6.96 C ATOM 1706 O HIS A 116 41.536 -0.762 -2.489 1.00 6.85 O ATOM 1707 CB HIS A 116 41.048 -3.460 -2.783 1.00 7.29 C ATOM 1708 CG HIS A 116 40.831 -3.080 -4.217 1.00 7.97 C ATOM 1709 ND1 HIS A 116 41.724 -3.386 -5.219 1.00 8.77 N ATOM 1710 CD2 HIS A 116 39.821 -2.402 -4.811 1.00 8.20 C ATOM 1711 CE1 HIS A 116 41.274 -2.914 -6.365 1.00 9.41 C ATOM 1712 NE2 HIS A 116 40.123 -2.314 -6.146 1.00 9.09 N ATOM 0 H HIS A 116 42.045 -2.926 -0.155 1.00 6.66 H new ATOM 0 HA HIS A 116 43.175 -3.406 -2.850 1.00 7.16 H new ATOM 0 HB2 HIS A 116 40.982 -4.544 -2.691 1.00 7.29 H new ATOM 0 HB3 HIS A 116 40.243 -3.040 -2.180 1.00 7.29 H new ATOM 0 HD1 HIS A 116 42.597 -3.898 -5.094 1.00 8.77 H new ATOM 0 HD2 HIS A 116 38.942 -2.005 -4.325 1.00 8.20 H new ATOM 0 HE1 HIS A 116 41.767 -3.004 -7.322 1.00 9.41 H new ATOM 1721 N PRO A 117 43.725 -0.967 -1.909 1.00 7.10 N ATOM 1722 CA PRO A 117 44.019 0.452 -1.634 1.00 7.19 C ATOM 1723 C PRO A 117 43.249 1.421 -2.515 1.00 7.86 C ATOM 1724 O PRO A 117 42.392 2.169 -2.047 1.00 7.83 O ATOM 1725 CB PRO A 117 45.525 0.558 -1.938 1.00 7.62 C ATOM 1726 CG PRO A 117 45.919 -0.783 -2.471 1.00 7.92 C ATOM 1727 CD PRO A 117 44.962 -1.742 -1.842 1.00 7.39 C ATOM 0 HA PRO A 117 43.732 0.721 -0.617 1.00 7.19 H new ATOM 0 HB2 PRO A 117 45.724 1.344 -2.666 1.00 7.62 H new ATOM 0 HB3 PRO A 117 46.091 0.805 -1.040 1.00 7.62 H new ATOM 0 HG2 PRO A 117 45.850 -0.812 -3.558 1.00 7.92 H new ATOM 0 HG3 PRO A 117 46.949 -1.025 -2.210 1.00 7.92 H new ATOM 0 HD2 PRO A 117 44.894 -2.680 -2.392 1.00 7.39 H new ATOM 0 HD3 PRO A 117 45.239 -1.993 -0.818 1.00 7.39 H new ATOM 1735 N GLU A 118 43.600 1.410 -3.789 1.00 8.68 N ATOM 1736 CA GLU A 118 42.938 2.208 -4.798 1.00 9.57 C ATOM 1737 C GLU A 118 43.380 1.738 -6.173 1.00 10.42 C ATOM 1738 O GLU A 118 42.572 1.635 -7.096 1.00 10.88 O ATOM 1739 CB GLU A 118 43.233 3.697 -4.607 1.00 10.14 C ATOM 1740 CG GLU A 118 44.693 4.018 -4.356 1.00 10.26 C ATOM 1741 CD GLU A 118 44.920 5.481 -4.036 1.00 10.90 C ATOM 1742 OE1 GLU A 118 44.604 5.906 -2.904 1.00 11.42 O ATOM 1743 OE2 GLU A 118 45.418 6.210 -4.917 1.00 11.01 O ATOM 0 H GLU A 118 44.362 0.839 -4.153 1.00 8.68 H new ATOM 0 HA GLU A 118 41.860 2.079 -4.703 1.00 9.57 H new ATOM 0 HB2 GLU A 118 42.902 4.237 -5.494 1.00 10.14 H new ATOM 0 HB3 GLU A 118 42.643 4.068 -3.769 1.00 10.14 H new ATOM 0 HG2 GLU A 118 45.059 3.408 -3.530 1.00 10.26 H new ATOM 0 HG3 GLU A 118 45.277 3.747 -5.235 1.00 10.26 H new ATOM 1750 N PHE A 119 44.666 1.425 -6.287 1.00 10.70 N ATOM 1751 CA PHE A 119 45.218 0.908 -7.528 1.00 11.61 C ATOM 1752 C PHE A 119 45.978 -0.390 -7.284 1.00 11.51 C ATOM 1753 O PHE A 119 46.758 -0.823 -8.129 1.00 12.37 O ATOM 1754 CB PHE A 119 46.141 1.949 -8.181 1.00 12.63 C ATOM 1755 CG PHE A 119 47.381 2.272 -7.384 1.00 13.60 C ATOM 1756 CD1 PHE A 119 47.318 3.105 -6.282 1.00 13.98 C ATOM 1757 CD2 PHE A 119 48.612 1.746 -7.745 1.00 14.22 C ATOM 1758 CE1 PHE A 119 48.455 3.408 -5.555 1.00 14.97 C ATOM 1759 CE2 PHE A 119 49.750 2.044 -7.025 1.00 15.19 C ATOM 1760 CZ PHE A 119 49.673 2.875 -5.927 1.00 15.58 C ATOM 0 H PHE A 119 45.345 1.522 -5.532 1.00 10.70 H new ATOM 0 HA PHE A 119 44.390 0.699 -8.206 1.00 11.61 H new ATOM 0 HB2 PHE A 119 46.440 1.585 -9.164 1.00 12.63 H new ATOM 0 HB3 PHE A 119 45.577 2.868 -8.340 1.00 12.63 H new ATOM 0 HD1 PHE A 119 46.368 3.525 -5.985 1.00 13.98 H new ATOM 0 HD2 PHE A 119 48.681 1.093 -8.603 1.00 14.22 H new ATOM 0 HE1 PHE A 119 48.390 4.061 -4.697 1.00 14.97 H new ATOM 0 HE2 PHE A 119 50.701 1.627 -7.321 1.00 15.19 H new ATOM 0 HZ PHE A 119 50.562 3.108 -5.360 1.00 15.58 H new ATOM 1770 N GLU A 120 45.718 -1.007 -6.130 1.00 10.55 N ATOM 1771 CA GLU A 120 46.403 -2.234 -5.707 1.00 10.48 C ATOM 1772 C GLU A 120 47.858 -1.967 -5.323 1.00 10.99 C ATOM 1773 O GLU A 120 48.447 -0.978 -5.760 1.00 11.40 O ATOM 1774 CB GLU A 120 46.330 -3.320 -6.782 1.00 11.07 C ATOM 1775 CG GLU A 120 44.968 -3.976 -6.887 1.00 10.59 C ATOM 1776 CD GLU A 120 44.639 -4.820 -5.678 1.00 10.31 C ATOM 1777 OE1 GLU A 120 44.141 -4.271 -4.674 1.00 10.23 O ATOM 1778 OE2 GLU A 120 44.873 -6.044 -5.725 1.00 10.33 O ATOM 0 H GLU A 120 45.026 -0.671 -5.460 1.00 10.55 H new ATOM 0 HA GLU A 120 45.879 -2.594 -4.822 1.00 10.48 H new ATOM 0 HB2 GLU A 120 46.590 -2.883 -7.746 1.00 11.07 H new ATOM 0 HB3 GLU A 120 47.077 -4.084 -6.567 1.00 11.07 H new ATOM 0 HG2 GLU A 120 44.206 -3.206 -7.007 1.00 10.59 H new ATOM 0 HG3 GLU A 120 44.936 -4.599 -7.781 1.00 10.59 H new ATOM 1785 N GLU A 121 48.408 -2.868 -4.501 1.00 11.08 N ATOM 1786 CA GLU A 121 49.779 -2.793 -3.984 1.00 11.65 C ATOM 1787 C GLU A 121 50.171 -1.387 -3.508 1.00 12.26 C ATOM 1788 O GLU A 121 49.323 -0.506 -3.325 1.00 12.21 O ATOM 1789 CB GLU A 121 50.799 -3.349 -5.001 1.00 11.42 C ATOM 1790 CG GLU A 121 50.858 -2.644 -6.345 1.00 11.24 C ATOM 1791 CD GLU A 121 50.029 -3.333 -7.416 1.00 10.81 C ATOM 1792 OE1 GLU A 121 49.613 -4.491 -7.196 1.00 10.85 O ATOM 1793 OE2 GLU A 121 49.770 -2.717 -8.469 1.00 10.63 O ATOM 0 H GLU A 121 47.901 -3.688 -4.169 1.00 11.08 H new ATOM 0 HA GLU A 121 49.802 -3.430 -3.100 1.00 11.65 H new ATOM 0 HB2 GLU A 121 51.790 -3.309 -4.549 1.00 11.42 H new ATOM 0 HB3 GLU A 121 50.571 -4.400 -5.175 1.00 11.42 H new ATOM 0 HG2 GLU A 121 50.508 -1.619 -6.226 1.00 11.24 H new ATOM 0 HG3 GLU A 121 51.895 -2.590 -6.675 1.00 11.24 H new ATOM 1800 N ASP A 122 51.458 -1.202 -3.244 1.00 12.98 N ATOM 1801 CA ASP A 122 51.980 0.086 -2.814 1.00 13.73 C ATOM 1802 C ASP A 122 53.347 0.316 -3.443 1.00 14.09 C ATOM 1803 O ASP A 122 54.202 -0.572 -3.443 1.00 14.14 O ATOM 1804 CB ASP A 122 52.070 0.160 -1.280 1.00 14.22 C ATOM 1805 CG ASP A 122 53.155 -0.730 -0.692 1.00 15.11 C ATOM 1806 OD1 ASP A 122 52.955 -1.965 -0.651 1.00 15.51 O ATOM 1807 OD2 ASP A 122 54.208 -0.203 -0.262 1.00 15.49 O ATOM 0 H ASP A 122 52.163 -1.935 -3.321 1.00 12.98 H new ATOM 0 HA ASP A 122 51.298 0.870 -3.143 1.00 13.73 H new ATOM 0 HB2 ASP A 122 52.258 1.192 -0.984 1.00 14.22 H new ATOM 0 HB3 ASP A 122 51.108 -0.123 -0.853 1.00 14.22 H new ATOM 1812 N SER A 123 53.540 1.492 -4.014 1.00 14.48 N ATOM 1813 CA SER A 123 54.801 1.820 -4.656 1.00 15.03 C ATOM 1814 C SER A 123 55.425 3.057 -4.015 1.00 15.58 C ATOM 1815 O SER A 123 56.372 2.952 -3.234 1.00 16.06 O ATOM 1816 CB SER A 123 54.586 2.031 -6.155 1.00 15.21 C ATOM 1817 OG SER A 123 53.902 0.927 -6.729 1.00 15.39 O ATOM 0 H SER A 123 52.841 2.234 -4.046 1.00 14.48 H new ATOM 0 HA SER A 123 55.492 0.988 -4.520 1.00 15.03 H new ATOM 0 HB2 SER A 123 54.014 2.944 -6.319 1.00 15.21 H new ATOM 0 HB3 SER A 123 55.548 2.165 -6.649 1.00 15.21 H new ATOM 0 HG SER A 123 53.774 1.084 -7.688 1.00 15.39 H new ATOM 1823 N ASP A 124 54.873 4.224 -4.314 1.00 15.63 N ATOM 1824 CA ASP A 124 55.411 5.471 -3.786 1.00 16.25 C ATOM 1825 C ASP A 124 54.298 6.376 -3.283 1.00 16.92 C ATOM 1826 O ASP A 124 53.491 6.883 -4.066 1.00 17.40 O ATOM 1827 CB ASP A 124 56.237 6.193 -4.850 1.00 16.32 C ATOM 1828 CG ASP A 124 56.670 7.574 -4.401 1.00 16.45 C ATOM 1829 OD1 ASP A 124 57.548 7.667 -3.517 1.00 16.55 O ATOM 1830 OD2 ASP A 124 56.132 8.571 -4.923 1.00 16.56 O ATOM 0 H ASP A 124 54.057 4.334 -4.916 1.00 15.63 H new ATOM 0 HA ASP A 124 56.059 5.226 -2.945 1.00 16.25 H new ATOM 0 HB2 ASP A 124 57.118 5.598 -5.089 1.00 16.32 H new ATOM 0 HB3 ASP A 124 55.652 6.278 -5.766 1.00 16.32 H new ATOM 1835 N PHE A 125 54.248 6.561 -1.972 1.00 17.07 N ATOM 1836 CA PHE A 125 53.270 7.449 -1.368 1.00 17.83 C ATOM 1837 C PHE A 125 53.946 8.331 -0.324 1.00 18.42 C ATOM 1838 O PHE A 125 54.155 7.918 0.818 1.00 18.77 O ATOM 1839 CB PHE A 125 52.131 6.642 -0.735 1.00 17.95 C ATOM 1840 CG PHE A 125 50.963 7.487 -0.304 1.00 18.29 C ATOM 1841 CD1 PHE A 125 49.990 7.875 -1.214 1.00 18.51 C ATOM 1842 CD2 PHE A 125 50.839 7.893 1.014 1.00 18.50 C ATOM 1843 CE1 PHE A 125 48.917 8.649 -0.812 1.00 18.94 C ATOM 1844 CE2 PHE A 125 49.769 8.665 1.421 1.00 18.96 C ATOM 1845 CZ PHE A 125 48.805 9.056 0.477 1.00 19.19 C ATOM 0 H PHE A 125 54.874 6.107 -1.307 1.00 17.07 H new ATOM 0 HA PHE A 125 52.845 8.086 -2.144 1.00 17.83 H new ATOM 0 HB2 PHE A 125 51.785 5.895 -1.450 1.00 17.95 H new ATOM 0 HB3 PHE A 125 52.516 6.101 0.129 1.00 17.95 H new ATOM 0 HD1 PHE A 125 50.072 7.569 -2.247 1.00 18.51 H new ATOM 0 HD2 PHE A 125 51.590 7.602 1.734 1.00 18.50 H new ATOM 0 HE1 PHE A 125 48.162 8.932 -1.530 1.00 18.94 H new ATOM 0 HE2 PHE A 125 49.674 8.965 2.454 1.00 18.96 H new ATOM 0 HZ PHE A 125 47.976 9.680 0.777 1.00 19.19 H new ATOM 1855 N VAL A 126 54.319 9.530 -0.737 1.00 18.64 N ATOM 1856 CA VAL A 126 54.969 10.479 0.148 1.00 19.32 C ATOM 1857 C VAL A 126 54.124 11.741 0.270 1.00 19.84 C ATOM 1858 O VAL A 126 53.994 12.467 -0.735 1.00 20.33 O ATOM 1859 CB VAL A 126 56.379 10.854 -0.355 1.00 19.36 C ATOM 1860 CG1 VAL A 126 57.074 11.780 0.632 1.00 19.82 C ATOM 1861 CG2 VAL A 126 57.215 9.606 -0.599 1.00 19.37 C ATOM 1862 OXT VAL A 126 53.594 12.006 1.369 1.00 19.85 O ATOM 0 H VAL A 126 54.181 9.871 -1.688 1.00 18.64 H new ATOM 0 HA VAL A 126 55.070 10.003 1.123 1.00 19.32 H new ATOM 0 HB VAL A 126 56.271 11.383 -1.302 1.00 19.36 H new ATOM 0 HG11 VAL A 126 58.066 12.032 0.258 1.00 19.82 H new ATOM 0 HG12 VAL A 126 56.488 12.692 0.750 1.00 19.82 H new ATOM 0 HG13 VAL A 126 57.166 11.281 1.597 1.00 19.82 H new ATOM 0 HG21 VAL A 126 58.205 9.895 -0.953 1.00 19.37 H new ATOM 0 HG22 VAL A 126 57.311 9.045 0.331 1.00 19.37 H new ATOM 0 HG23 VAL A 126 56.728 8.983 -1.350 1.00 19.37 H new TER 1872 VAL A 126