USER MOD reduce.3.24.130724 H: found=0, std=0, add=1084, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 1075 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 126 HIS : no HD1:sc= -1.86 K(o=-2.5,f=-1.8) USER MOD Set 1.2: A 130 ASN : amide:sc= -0.66 K(o=-2.5,f=-0.95) USER MOD Set 2.1: A 59 GLN : amide:sc= -1.08 K(o=-1.3,f=-6.9!) USER MOD Set 2.2: A 72 THR OG1 : rot -62:sc= -0.255 USER MOD Set 3.1: A 70 SER OG : rot 7:sc= 1.46 USER MOD Set 3.2: A 81 THR OG1 : rot -82:sc= 1.24 USER MOD Set 4.1: A 27 SER OG : rot -10:sc= -0.0334 USER MOD Set 4.2: A 37 ASN : amide:sc= -2.73 K(o=-2.8,f=-11!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0.00901 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ -176:sc= 0.19 (180deg=0.115) USER MOD Single : A 14 ASN : amide:sc= -0.427 K(o=-0.43,f=-3.3!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 170:sc= -1.21 USER MOD Single : A 26 THR OG1 : rot -95:sc= 1.06 USER MOD Single : A 35 MET CE :methyl 141:sc= -4.74! (180deg=-8.12!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 HIS : no HD1:sc= -0.173 X(o=-0.17,f=-0.48) USER MOD Single : A 46 HIS : no HD1:sc= -0.608 X(o=-0.61,f=-0.15) USER MOD Single : A 48 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 SER OG : rot -73:sc= 1.22 USER MOD Single : A 56 SER OG : rot -136:sc= 1.23 USER MOD Single : A 58 CYS SG : rot -160:sc= -0.32 USER MOD Single : A 61 THR OG1 : rot 180:sc= -0.0197 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 180:sc= -0.126 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 83 HIS : no HD1:sc= -0.78 K(o=-0.78,f=-0.21) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 ASN : amide:sc= 0.156 K(o=0.16,f=-1.5!) USER MOD Single : A 91 THR OG1 : rot 120:sc= 1.31 USER MOD Single : A 94 THR OG1 : rot 180:sc=-0.00431 USER MOD Single : A 97 HIS : no HE2:sc= -0.795 X(o=-0.8,f=-1.2) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 GLN : amide:sc= -0.434 X(o=-0.43,f=0) USER MOD Single : A 105 THR OG1 : rot 180:sc= -0.237 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 SER OG : rot -72:sc= 0.23 USER MOD Single : A 118 HIS : no HD1:sc=-0.00729 X(o=-0.0073,f=-0.24) USER MOD Single : A 121 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 135 GLN : amide:sc= -0.25 K(o=-0.25,f=-2.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.867 18.454 -14.870 1.00 0.00 N ATOM 2 CA MET A 1 -3.961 19.387 -14.661 1.00 0.00 C ATOM 3 C MET A 1 -5.307 18.660 -14.658 1.00 0.00 C ATOM 4 O MET A 1 -6.086 18.793 -13.715 1.00 0.00 O ATOM 5 CB MET A 1 -3.952 20.441 -15.770 1.00 0.00 C ATOM 6 CG MET A 1 -4.104 21.848 -15.190 1.00 0.00 C ATOM 7 SD MET A 1 -5.224 22.807 -16.197 1.00 0.00 S ATOM 8 CE MET A 1 -6.475 23.195 -14.986 1.00 0.00 C ATOM 0 H1 MET A 1 -1.965 18.971 -14.868 1.00 0.00 H new ATOM 0 H2 MET A 1 -2.863 17.747 -14.107 1.00 0.00 H new ATOM 0 H3 MET A 1 -2.989 17.975 -15.785 1.00 0.00 H new ATOM 0 HA MET A 1 -3.826 19.866 -13.691 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.021 20.374 -16.332 1.00 0.00 H new ATOM 0 HB3 MET A 1 -4.763 20.243 -16.471 1.00 0.00 H new ATOM 0 HG2 MET A 1 -4.479 21.790 -14.168 1.00 0.00 H new ATOM 0 HG3 MET A 1 -3.132 22.339 -15.145 1.00 0.00 H new ATOM 0 HE1 MET A 1 -7.257 23.795 -15.451 1.00 0.00 H new ATOM 0 HE2 MET A 1 -6.907 22.272 -14.600 1.00 0.00 H new ATOM 0 HE3 MET A 1 -6.026 23.756 -14.166 1.00 0.00 H new ATOM 18 N THR A 2 -5.540 17.908 -15.723 1.00 0.00 N ATOM 19 CA THR A 2 -6.779 17.160 -15.855 1.00 0.00 C ATOM 20 C THR A 2 -6.524 15.665 -15.652 1.00 0.00 C ATOM 21 O THR A 2 -5.395 15.255 -15.390 1.00 0.00 O ATOM 22 CB THR A 2 -7.389 17.492 -17.218 1.00 0.00 C ATOM 23 OG1 THR A 2 -6.373 17.132 -18.150 1.00 0.00 O ATOM 24 CG2 THR A 2 -7.570 18.997 -17.428 1.00 0.00 C ATOM 0 H THR A 2 -4.892 17.800 -16.503 1.00 0.00 H new ATOM 0 HA THR A 2 -7.496 17.443 -15.084 1.00 0.00 H new ATOM 0 HB THR A 2 -8.353 16.993 -17.315 1.00 0.00 H new ATOM 0 HG1 THR A 2 -6.686 17.313 -19.061 1.00 0.00 H new ATOM 0 HG21 THR A 2 -8.006 19.177 -18.411 1.00 0.00 H new ATOM 0 HG22 THR A 2 -8.232 19.395 -16.659 1.00 0.00 H new ATOM 0 HG23 THR A 2 -6.601 19.492 -17.365 1.00 0.00 H new ATOM 32 N ARG A 3 -7.593 14.893 -15.779 1.00 0.00 N ATOM 33 CA ARG A 3 -7.499 13.452 -15.613 1.00 0.00 C ATOM 34 C ARG A 3 -7.064 13.110 -14.186 1.00 0.00 C ATOM 35 O ARG A 3 -6.345 13.880 -13.551 1.00 0.00 O ATOM 36 CB ARG A 3 -6.500 12.847 -16.601 1.00 0.00 C ATOM 37 CG ARG A 3 -7.214 12.320 -17.848 1.00 0.00 C ATOM 38 CD ARG A 3 -6.224 12.101 -18.994 1.00 0.00 C ATOM 39 NE ARG A 3 -6.723 11.039 -19.897 1.00 0.00 N ATOM 40 CZ ARG A 3 -6.840 9.750 -19.547 1.00 0.00 C ATOM 41 NH1 ARG A 3 -6.496 9.356 -18.314 1.00 0.00 N ATOM 42 NH2 ARG A 3 -7.302 8.856 -20.432 1.00 0.00 N ATOM 0 H ARG A 3 -8.528 15.238 -15.995 1.00 0.00 H new ATOM 0 HA ARG A 3 -8.485 13.031 -15.808 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -5.766 13.600 -16.889 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -5.953 12.036 -16.120 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -7.718 11.382 -17.614 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -7.983 13.027 -18.157 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -6.088 13.028 -19.550 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -5.249 11.822 -18.595 1.00 0.00 H new ATOM 0 HE ARG A 3 -6.994 11.304 -20.844 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -6.145 10.037 -17.640 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -6.585 8.375 -18.049 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -7.564 9.156 -21.371 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -7.391 7.875 -20.167 1.00 0.00 H new ATOM 56 N LEU A 4 -7.520 11.955 -13.724 1.00 0.00 N ATOM 57 CA LEU A 4 -7.187 11.502 -12.384 1.00 0.00 C ATOM 58 C LEU A 4 -5.670 11.334 -12.269 1.00 0.00 C ATOM 59 O LEU A 4 -5.065 10.589 -13.038 1.00 0.00 O ATOM 60 CB LEU A 4 -7.974 10.237 -12.035 1.00 0.00 C ATOM 61 CG LEU A 4 -9.497 10.374 -12.031 1.00 0.00 C ATOM 62 CD1 LEU A 4 -10.169 9.026 -11.764 1.00 0.00 C ATOM 63 CD2 LEU A 4 -9.948 11.446 -11.037 1.00 0.00 C ATOM 0 H LEU A 4 -8.117 11.320 -14.253 1.00 0.00 H new ATOM 0 HA LEU A 4 -7.482 12.247 -11.646 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -7.701 9.456 -12.745 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -7.657 9.896 -11.049 1.00 0.00 H new ATOM 0 HG LEU A 4 -9.813 10.700 -13.022 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -11.252 9.152 -11.767 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -9.885 8.317 -12.542 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -9.850 8.647 -10.793 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -11.035 11.523 -11.054 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -9.619 11.174 -10.034 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -9.512 12.406 -11.314 1.00 0.00 H new ATOM 75 N PRO A 5 -5.086 12.058 -11.276 1.00 0.00 N ATOM 76 CA PRO A 5 -3.652 11.996 -11.051 1.00 0.00 C ATOM 77 C PRO A 5 -3.259 10.683 -10.371 1.00 0.00 C ATOM 78 O PRO A 5 -4.087 9.785 -10.222 1.00 0.00 O ATOM 79 CB PRO A 5 -3.334 13.220 -10.207 1.00 0.00 C ATOM 80 CG PRO A 5 -4.656 13.665 -9.603 1.00 0.00 C ATOM 81 CD PRO A 5 -5.772 12.950 -10.347 1.00 0.00 C ATOM 0 HA PRO A 5 -3.080 12.007 -11.979 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -2.610 12.980 -9.428 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -2.897 14.011 -10.816 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -4.690 13.425 -8.540 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -4.771 14.746 -9.689 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -6.411 12.393 -9.662 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -6.412 13.657 -10.876 1.00 0.00 H new ATOM 89 N ASP A 6 -1.996 10.611 -9.978 1.00 0.00 N ATOM 90 CA ASP A 6 -1.484 9.422 -9.318 1.00 0.00 C ATOM 91 C ASP A 6 -1.780 9.509 -7.819 1.00 0.00 C ATOM 92 O ASP A 6 -1.788 10.597 -7.246 1.00 0.00 O ATOM 93 CB ASP A 6 0.031 9.304 -9.494 1.00 0.00 C ATOM 94 CG ASP A 6 0.550 9.669 -10.887 1.00 0.00 C ATOM 95 OD1 ASP A 6 -0.087 9.223 -11.865 1.00 0.00 O ATOM 96 OD2 ASP A 6 1.573 10.385 -10.941 1.00 0.00 O ATOM 0 H ASP A 6 -1.312 11.357 -10.104 1.00 0.00 H new ATOM 0 HA ASP A 6 -1.968 8.553 -9.765 1.00 0.00 H new ATOM 0 HB2 ASP A 6 0.518 9.947 -8.761 1.00 0.00 H new ATOM 0 HB3 ASP A 6 0.329 8.280 -9.268 1.00 0.00 H new ATOM 101 N ILE A 7 -2.016 8.347 -7.228 1.00 0.00 N ATOM 102 CA ILE A 7 -2.312 8.278 -5.807 1.00 0.00 C ATOM 103 C ILE A 7 -1.003 8.168 -5.022 1.00 0.00 C ATOM 104 O ILE A 7 -0.734 7.142 -4.398 1.00 0.00 O ATOM 105 CB ILE A 7 -3.298 7.144 -5.520 1.00 0.00 C ATOM 106 CG1 ILE A 7 -4.691 7.478 -6.058 1.00 0.00 C ATOM 107 CG2 ILE A 7 -3.327 6.806 -4.028 1.00 0.00 C ATOM 108 CD1 ILE A 7 -5.628 6.275 -5.940 1.00 0.00 C ATOM 0 H ILE A 7 -2.008 7.446 -7.707 1.00 0.00 H new ATOM 0 HA ILE A 7 -2.807 9.191 -5.476 1.00 0.00 H new ATOM 0 HB ILE A 7 -2.954 6.253 -6.046 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -5.105 8.321 -5.506 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -4.618 7.785 -7.101 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -4.036 5.997 -3.852 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -2.333 6.494 -3.706 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -3.632 7.686 -3.462 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -6.611 6.540 -6.329 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -5.223 5.441 -6.513 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -5.718 5.986 -4.893 1.00 0.00 H new ATOM 120 N LYS A 8 -0.224 9.238 -5.080 1.00 0.00 N ATOM 121 CA LYS A 8 1.050 9.274 -4.382 1.00 0.00 C ATOM 122 C LYS A 8 0.864 9.953 -3.024 1.00 0.00 C ATOM 123 O LYS A 8 0.313 11.050 -2.944 1.00 0.00 O ATOM 124 CB LYS A 8 2.120 9.931 -5.256 1.00 0.00 C ATOM 125 CG LYS A 8 3.224 10.551 -4.398 1.00 0.00 C ATOM 126 CD LYS A 8 4.288 11.219 -5.271 1.00 0.00 C ATOM 127 CE LYS A 8 5.695 10.909 -4.756 1.00 0.00 C ATOM 128 NZ LYS A 8 6.675 10.957 -5.864 1.00 0.00 N ATOM 0 H LYS A 8 -0.450 10.086 -5.599 1.00 0.00 H new ATOM 0 HA LYS A 8 1.406 8.263 -4.187 1.00 0.00 H new ATOM 0 HB2 LYS A 8 2.551 9.189 -5.929 1.00 0.00 H new ATOM 0 HB3 LYS A 8 1.664 10.700 -5.879 1.00 0.00 H new ATOM 0 HG2 LYS A 8 2.792 11.286 -3.719 1.00 0.00 H new ATOM 0 HG3 LYS A 8 3.686 9.780 -3.781 1.00 0.00 H new ATOM 0 HD2 LYS A 8 4.189 10.873 -6.300 1.00 0.00 H new ATOM 0 HD3 LYS A 8 4.130 12.297 -5.281 1.00 0.00 H new ATOM 0 HE2 LYS A 8 5.973 11.628 -3.985 1.00 0.00 H new ATOM 0 HE3 LYS A 8 5.710 9.923 -4.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 7.625 10.744 -5.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 6.417 10.254 -6.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 6.673 11.906 -6.289 1.00 0.00 H new ATOM 142 N LYS A 9 1.333 9.272 -1.989 1.00 0.00 N ATOM 143 CA LYS A 9 1.225 9.796 -0.637 1.00 0.00 C ATOM 144 C LYS A 9 2.534 9.538 0.111 1.00 0.00 C ATOM 145 O LYS A 9 3.343 8.714 -0.312 1.00 0.00 O ATOM 146 CB LYS A 9 -0.007 9.220 0.063 1.00 0.00 C ATOM 147 CG LYS A 9 -1.231 10.111 -0.159 1.00 0.00 C ATOM 148 CD LYS A 9 -1.969 9.719 -1.441 1.00 0.00 C ATOM 149 CE LYS A 9 -3.424 9.352 -1.146 1.00 0.00 C ATOM 150 NZ LYS A 9 -3.517 7.961 -0.648 1.00 0.00 N ATOM 0 H LYS A 9 1.789 8.362 -2.059 1.00 0.00 H new ATOM 0 HA LYS A 9 1.076 10.876 -0.657 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -0.209 8.218 -0.315 1.00 0.00 H new ATOM 0 HB3 LYS A 9 0.189 9.124 1.131 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -1.905 10.028 0.693 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -0.920 11.154 -0.218 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -1.936 10.545 -2.151 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -1.465 8.874 -1.911 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -3.835 10.038 -0.405 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -4.023 9.462 -2.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -4.517 7.705 -0.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -3.082 7.316 -1.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -3.018 7.884 0.261 1.00 0.00 H new ATOM 164 N GLU A 10 2.702 10.259 1.210 1.00 0.00 N ATOM 165 CA GLU A 10 3.900 10.118 2.021 1.00 0.00 C ATOM 166 C GLU A 10 3.571 10.349 3.497 1.00 0.00 C ATOM 167 O GLU A 10 2.907 11.325 3.844 1.00 0.00 O ATOM 168 CB GLU A 10 4.997 11.074 1.548 1.00 0.00 C ATOM 169 CG GLU A 10 6.380 10.573 1.972 1.00 0.00 C ATOM 170 CD GLU A 10 6.896 11.351 3.185 1.00 0.00 C ATOM 171 OE1 GLU A 10 7.417 12.465 2.964 1.00 0.00 O ATOM 172 OE2 GLU A 10 6.756 10.814 4.305 1.00 0.00 O ATOM 0 H GLU A 10 2.029 10.942 1.558 1.00 0.00 H new ATOM 0 HA GLU A 10 4.275 9.101 1.907 1.00 0.00 H new ATOM 0 HB2 GLU A 10 4.958 11.170 0.463 1.00 0.00 H new ATOM 0 HB3 GLU A 10 4.823 12.067 1.963 1.00 0.00 H new ATOM 0 HG2 GLU A 10 6.328 9.511 2.212 1.00 0.00 H new ATOM 0 HG3 GLU A 10 7.079 10.679 1.143 1.00 0.00 H new ATOM 179 N VAL A 11 4.050 9.435 4.327 1.00 0.00 N ATOM 180 CA VAL A 11 3.816 9.526 5.758 1.00 0.00 C ATOM 181 C VAL A 11 5.098 9.156 6.506 1.00 0.00 C ATOM 182 O VAL A 11 5.948 8.444 5.973 1.00 0.00 O ATOM 183 CB VAL A 11 2.622 8.653 6.150 1.00 0.00 C ATOM 184 CG1 VAL A 11 1.301 9.330 5.777 1.00 0.00 C ATOM 185 CG2 VAL A 11 2.726 7.265 5.513 1.00 0.00 C ATOM 0 H VAL A 11 4.600 8.627 4.036 1.00 0.00 H new ATOM 0 HA VAL A 11 3.560 10.548 6.038 1.00 0.00 H new ATOM 0 HB VAL A 11 2.640 8.528 7.233 1.00 0.00 H new ATOM 0 HG11 VAL A 11 0.469 8.688 6.067 1.00 0.00 H new ATOM 0 HG12 VAL A 11 1.222 10.284 6.298 1.00 0.00 H new ATOM 0 HG13 VAL A 11 1.271 9.500 4.701 1.00 0.00 H new ATOM 0 HG21 VAL A 11 1.865 6.664 5.807 1.00 0.00 H new ATOM 0 HG22 VAL A 11 2.746 7.363 4.428 1.00 0.00 H new ATOM 0 HG23 VAL A 11 3.641 6.778 5.850 1.00 0.00 H new ATOM 195 N ARG A 12 5.198 9.655 7.729 1.00 0.00 N ATOM 196 CA ARG A 12 6.362 9.386 8.555 1.00 0.00 C ATOM 197 C ARG A 12 5.941 8.714 9.863 1.00 0.00 C ATOM 198 O ARG A 12 5.000 9.159 10.519 1.00 0.00 O ATOM 199 CB ARG A 12 7.122 10.675 8.873 1.00 0.00 C ATOM 200 CG ARG A 12 8.345 10.389 9.746 1.00 0.00 C ATOM 201 CD ARG A 12 8.719 11.613 10.585 1.00 0.00 C ATOM 202 NE ARG A 12 8.736 11.257 12.021 1.00 0.00 N ATOM 203 CZ ARG A 12 7.644 11.213 12.797 1.00 0.00 C ATOM 204 NH1 ARG A 12 6.442 11.503 12.280 1.00 0.00 N ATOM 205 NH2 ARG A 12 7.754 10.880 14.090 1.00 0.00 N ATOM 0 H ARG A 12 4.491 10.245 8.168 1.00 0.00 H new ATOM 0 HA ARG A 12 7.019 8.720 7.995 1.00 0.00 H new ATOM 0 HB2 ARG A 12 7.437 11.154 7.946 1.00 0.00 H new ATOM 0 HB3 ARG A 12 6.461 11.374 9.385 1.00 0.00 H new ATOM 0 HG2 ARG A 12 8.138 9.544 10.402 1.00 0.00 H new ATOM 0 HG3 ARG A 12 9.188 10.105 9.116 1.00 0.00 H new ATOM 0 HD2 ARG A 12 9.698 11.986 10.283 1.00 0.00 H new ATOM 0 HD3 ARG A 12 8.004 12.417 10.410 1.00 0.00 H new ATOM 0 HE ARG A 12 9.635 11.031 12.447 1.00 0.00 H new ATOM 0 HH11 ARG A 12 6.358 11.757 11.296 1.00 0.00 H new ATOM 0 HH12 ARG A 12 5.611 11.469 12.871 1.00 0.00 H new ATOM 0 HH21 ARG A 12 8.669 10.660 14.484 1.00 0.00 H new ATOM 0 HH22 ARG A 12 6.923 10.847 14.681 1.00 0.00 H new ATOM 219 N PHE A 13 6.657 7.653 10.204 1.00 0.00 N ATOM 220 CA PHE A 13 6.369 6.915 11.423 1.00 0.00 C ATOM 221 C PHE A 13 7.634 6.731 12.264 1.00 0.00 C ATOM 222 O PHE A 13 8.738 6.663 11.725 1.00 0.00 O ATOM 223 CB PHE A 13 5.847 5.541 11.000 1.00 0.00 C ATOM 224 CG PHE A 13 4.581 5.593 10.143 1.00 0.00 C ATOM 225 CD1 PHE A 13 3.666 6.579 10.340 1.00 0.00 C ATOM 226 CD2 PHE A 13 4.371 4.653 9.183 1.00 0.00 C ATOM 227 CE1 PHE A 13 2.491 6.628 9.544 1.00 0.00 C ATOM 228 CE2 PHE A 13 3.196 4.701 8.387 1.00 0.00 C ATOM 229 CZ PHE A 13 2.281 5.687 8.584 1.00 0.00 C ATOM 0 H PHE A 13 7.436 7.286 9.658 1.00 0.00 H new ATOM 0 HA PHE A 13 5.641 7.459 12.025 1.00 0.00 H new ATOM 0 HB2 PHE A 13 6.628 5.022 10.445 1.00 0.00 H new ATOM 0 HB3 PHE A 13 5.645 4.950 11.893 1.00 0.00 H new ATOM 0 HD1 PHE A 13 3.833 7.326 11.102 1.00 0.00 H new ATOM 0 HD2 PHE A 13 5.098 3.870 9.026 1.00 0.00 H new ATOM 0 HE1 PHE A 13 1.765 7.412 9.701 1.00 0.00 H new ATOM 0 HE2 PHE A 13 3.029 3.954 7.625 1.00 0.00 H new ATOM 0 HZ PHE A 13 1.387 5.723 7.978 1.00 0.00 H new ATOM 239 N ASN A 14 7.431 6.655 13.571 1.00 0.00 N ATOM 240 CA ASN A 14 8.541 6.479 14.492 1.00 0.00 C ATOM 241 C ASN A 14 8.768 4.985 14.732 1.00 0.00 C ATOM 242 O ASN A 14 8.081 4.373 15.547 1.00 0.00 O ATOM 243 CB ASN A 14 8.246 7.135 15.842 1.00 0.00 C ATOM 244 CG ASN A 14 9.211 8.291 16.112 1.00 0.00 C ATOM 245 OD1 ASN A 14 10.158 8.528 15.380 1.00 0.00 O ATOM 246 ND2 ASN A 14 8.919 8.996 17.202 1.00 0.00 N ATOM 0 H ASN A 14 6.514 6.712 14.014 1.00 0.00 H new ATOM 0 HA ASN A 14 9.422 6.944 14.050 1.00 0.00 H new ATOM 0 HB2 ASN A 14 7.220 7.502 15.855 1.00 0.00 H new ATOM 0 HB3 ASN A 14 8.329 6.394 16.637 1.00 0.00 H new ATOM 0 HD21 ASN A 14 9.503 9.789 17.468 1.00 0.00 H new ATOM 0 HD22 ASN A 14 8.111 8.744 17.771 1.00 0.00 H new ATOM 253 N ALA A 15 9.734 4.442 14.006 1.00 0.00 N ATOM 254 CA ALA A 15 10.060 3.031 14.130 1.00 0.00 C ATOM 255 C ALA A 15 11.253 2.707 13.228 1.00 0.00 C ATOM 256 O ALA A 15 11.584 3.478 12.329 1.00 0.00 O ATOM 257 CB ALA A 15 8.828 2.191 13.790 1.00 0.00 C ATOM 0 H ALA A 15 10.301 4.953 13.330 1.00 0.00 H new ATOM 0 HA ALA A 15 10.346 2.791 15.154 1.00 0.00 H new ATOM 0 HB1 ALA A 15 9.072 1.133 13.883 1.00 0.00 H new ATOM 0 HB2 ALA A 15 8.018 2.438 14.477 1.00 0.00 H new ATOM 0 HB3 ALA A 15 8.514 2.403 12.768 1.00 0.00 H new ATOM 263 N PRO A 16 11.882 1.534 13.507 1.00 0.00 N ATOM 264 CA PRO A 16 13.031 1.098 12.732 1.00 0.00 C ATOM 265 C PRO A 16 12.601 0.580 11.358 1.00 0.00 C ATOM 266 O PRO A 16 11.666 -0.212 11.254 1.00 0.00 O ATOM 267 CB PRO A 16 13.701 0.033 13.586 1.00 0.00 C ATOM 268 CG PRO A 16 12.651 -0.417 14.589 1.00 0.00 C ATOM 269 CD PRO A 16 11.518 0.595 14.565 1.00 0.00 C ATOM 0 HA PRO A 16 13.725 1.910 12.515 1.00 0.00 H new ATOM 0 HB2 PRO A 16 14.040 -0.803 12.974 1.00 0.00 H new ATOM 0 HB3 PRO A 16 14.579 0.434 14.093 1.00 0.00 H new ATOM 0 HG2 PRO A 16 12.281 -1.410 14.334 1.00 0.00 H new ATOM 0 HG3 PRO A 16 13.082 -0.484 15.588 1.00 0.00 H new ATOM 0 HD2 PRO A 16 10.562 0.114 14.356 1.00 0.00 H new ATOM 0 HD3 PRO A 16 11.418 1.100 15.526 1.00 0.00 H new ATOM 277 N ILE A 17 13.305 1.049 10.338 1.00 0.00 N ATOM 278 CA ILE A 17 13.008 0.643 8.975 1.00 0.00 C ATOM 279 C ILE A 17 13.045 -0.884 8.882 1.00 0.00 C ATOM 280 O ILE A 17 12.403 -1.473 8.014 1.00 0.00 O ATOM 281 CB ILE A 17 13.948 1.342 7.991 1.00 0.00 C ATOM 282 CG1 ILE A 17 13.416 1.241 6.559 1.00 0.00 C ATOM 283 CG2 ILE A 17 15.372 0.798 8.112 1.00 0.00 C ATOM 284 CD1 ILE A 17 13.791 2.483 5.747 1.00 0.00 C ATOM 0 H ILE A 17 14.080 1.706 10.428 1.00 0.00 H new ATOM 0 HA ILE A 17 12.002 0.955 8.695 1.00 0.00 H new ATOM 0 HB ILE A 17 13.985 2.401 8.248 1.00 0.00 H new ATOM 0 HG12 ILE A 17 13.822 0.351 6.078 1.00 0.00 H new ATOM 0 HG13 ILE A 17 12.332 1.127 6.577 1.00 0.00 H new ATOM 0 HG21 ILE A 17 16.019 1.312 7.402 1.00 0.00 H new ATOM 0 HG22 ILE A 17 15.740 0.964 9.124 1.00 0.00 H new ATOM 0 HG23 ILE A 17 15.373 -0.270 7.896 1.00 0.00 H new ATOM 0 HD11 ILE A 17 13.401 2.386 4.734 1.00 0.00 H new ATOM 0 HD12 ILE A 17 13.363 3.368 6.217 1.00 0.00 H new ATOM 0 HD13 ILE A 17 14.876 2.580 5.711 1.00 0.00 H new ATOM 296 N GLU A 18 13.803 -1.482 9.790 1.00 0.00 N ATOM 297 CA GLU A 18 13.933 -2.928 9.822 1.00 0.00 C ATOM 298 C GLU A 18 12.599 -3.572 10.205 1.00 0.00 C ATOM 299 O GLU A 18 12.330 -4.716 9.840 1.00 0.00 O ATOM 300 CB GLU A 18 15.045 -3.358 10.780 1.00 0.00 C ATOM 301 CG GLU A 18 15.932 -4.432 10.145 1.00 0.00 C ATOM 302 CD GLU A 18 15.762 -5.775 10.857 1.00 0.00 C ATOM 303 OE1 GLU A 18 14.600 -6.106 11.175 1.00 0.00 O ATOM 304 OE2 GLU A 18 16.799 -6.441 11.067 1.00 0.00 O ATOM 0 H GLU A 18 14.333 -0.990 10.509 1.00 0.00 H new ATOM 0 HA GLU A 18 14.207 -3.271 8.824 1.00 0.00 H new ATOM 0 HB2 GLU A 18 15.652 -2.494 11.050 1.00 0.00 H new ATOM 0 HB3 GLU A 18 14.608 -3.741 11.702 1.00 0.00 H new ATOM 0 HG2 GLU A 18 15.679 -4.541 9.090 1.00 0.00 H new ATOM 0 HG3 GLU A 18 16.976 -4.121 10.192 1.00 0.00 H new ATOM 311 N LYS A 19 11.799 -2.811 10.938 1.00 0.00 N ATOM 312 CA LYS A 19 10.501 -3.293 11.375 1.00 0.00 C ATOM 313 C LYS A 19 9.471 -3.043 10.272 1.00 0.00 C ATOM 314 O LYS A 19 8.805 -3.972 9.817 1.00 0.00 O ATOM 315 CB LYS A 19 10.123 -2.671 12.721 1.00 0.00 C ATOM 316 CG LYS A 19 8.993 -3.455 13.390 1.00 0.00 C ATOM 317 CD LYS A 19 8.977 -3.213 14.901 1.00 0.00 C ATOM 318 CE LYS A 19 8.195 -4.311 15.624 1.00 0.00 C ATOM 319 NZ LYS A 19 9.094 -5.100 16.495 1.00 0.00 N ATOM 0 H LYS A 19 12.026 -1.863 11.240 1.00 0.00 H new ATOM 0 HA LYS A 19 10.532 -4.369 11.545 1.00 0.00 H new ATOM 0 HB2 LYS A 19 10.995 -2.653 13.375 1.00 0.00 H new ATOM 0 HB3 LYS A 19 9.814 -1.636 12.573 1.00 0.00 H new ATOM 0 HG2 LYS A 19 8.036 -3.158 12.961 1.00 0.00 H new ATOM 0 HG3 LYS A 19 9.116 -4.519 13.190 1.00 0.00 H new ATOM 0 HD2 LYS A 19 9.999 -3.181 15.279 1.00 0.00 H new ATOM 0 HD3 LYS A 19 8.528 -2.242 15.113 1.00 0.00 H new ATOM 0 HE2 LYS A 19 7.399 -3.866 16.221 1.00 0.00 H new ATOM 0 HE3 LYS A 19 7.718 -4.966 14.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 8.547 -5.841 16.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 9.838 -5.540 15.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 9.529 -4.474 17.202 1.00 0.00 H new ATOM 333 N VAL A 20 9.371 -1.783 9.874 1.00 0.00 N ATOM 334 CA VAL A 20 8.433 -1.399 8.832 1.00 0.00 C ATOM 335 C VAL A 20 8.712 -2.221 7.573 1.00 0.00 C ATOM 336 O VAL A 20 7.783 -2.658 6.894 1.00 0.00 O ATOM 337 CB VAL A 20 8.510 0.110 8.590 1.00 0.00 C ATOM 338 CG1 VAL A 20 7.635 0.519 7.403 1.00 0.00 C ATOM 339 CG2 VAL A 20 8.123 0.888 9.850 1.00 0.00 C ATOM 0 H VAL A 20 9.924 -1.015 10.254 1.00 0.00 H new ATOM 0 HA VAL A 20 7.410 -1.614 9.140 1.00 0.00 H new ATOM 0 HB VAL A 20 9.543 0.359 8.347 1.00 0.00 H new ATOM 0 HG11 VAL A 20 7.707 1.596 7.252 1.00 0.00 H new ATOM 0 HG12 VAL A 20 7.975 0.003 6.505 1.00 0.00 H new ATOM 0 HG13 VAL A 20 6.598 0.250 7.605 1.00 0.00 H new ATOM 0 HG21 VAL A 20 8.186 1.958 9.651 1.00 0.00 H new ATOM 0 HG22 VAL A 20 7.103 0.632 10.137 1.00 0.00 H new ATOM 0 HG23 VAL A 20 8.804 0.629 10.661 1.00 0.00 H new ATOM 349 N TRP A 21 9.995 -2.408 7.298 1.00 0.00 N ATOM 350 CA TRP A 21 10.407 -3.171 6.132 1.00 0.00 C ATOM 351 C TRP A 21 9.770 -4.558 6.225 1.00 0.00 C ATOM 352 O TRP A 21 9.080 -4.992 5.303 1.00 0.00 O ATOM 353 CB TRP A 21 11.932 -3.219 6.020 1.00 0.00 C ATOM 354 CG TRP A 21 12.444 -4.061 4.849 1.00 0.00 C ATOM 355 CD1 TRP A 21 13.323 -5.072 4.882 1.00 0.00 C ATOM 356 CD2 TRP A 21 12.068 -3.924 3.463 1.00 0.00 C ATOM 357 NE1 TRP A 21 13.541 -5.594 3.624 1.00 0.00 N ATOM 358 CE2 TRP A 21 12.754 -4.874 2.733 1.00 0.00 C ATOM 359 CE3 TRP A 21 11.178 -3.028 2.845 1.00 0.00 C ATOM 360 CZ2 TRP A 21 12.621 -5.018 1.347 1.00 0.00 C ATOM 361 CZ3 TRP A 21 11.057 -3.185 1.460 1.00 0.00 C ATOM 362 CH2 TRP A 21 11.740 -4.136 0.710 1.00 0.00 C ATOM 0 H TRP A 21 10.763 -2.044 7.863 1.00 0.00 H new ATOM 0 HA TRP A 21 10.063 -2.692 5.216 1.00 0.00 H new ATOM 0 HB2 TRP A 21 12.311 -2.202 5.916 1.00 0.00 H new ATOM 0 HB3 TRP A 21 12.342 -3.618 6.948 1.00 0.00 H new ATOM 0 HD1 TRP A 21 13.801 -5.433 5.781 1.00 0.00 H new ATOM 0 HE1 TRP A 21 14.165 -6.366 3.391 1.00 0.00 H new ATOM 0 HE3 TRP A 21 10.631 -2.278 3.396 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 13.169 -5.770 0.798 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 10.386 -2.521 0.936 1.00 0.00 H new ATOM 0 HH2 TRP A 21 11.592 -4.194 -0.358 1.00 0.00 H new ATOM 373 N GLU A 22 10.023 -5.217 7.346 1.00 0.00 N ATOM 374 CA GLU A 22 9.483 -6.547 7.572 1.00 0.00 C ATOM 375 C GLU A 22 7.954 -6.505 7.575 1.00 0.00 C ATOM 376 O GLU A 22 7.301 -7.508 7.291 1.00 0.00 O ATOM 377 CB GLU A 22 10.019 -7.143 8.875 1.00 0.00 C ATOM 378 CG GLU A 22 10.791 -8.437 8.610 1.00 0.00 C ATOM 379 CD GLU A 22 10.492 -9.483 9.686 1.00 0.00 C ATOM 380 OE1 GLU A 22 9.292 -9.779 9.872 1.00 0.00 O ATOM 381 OE2 GLU A 22 11.471 -9.963 10.298 1.00 0.00 O ATOM 0 H GLU A 22 10.595 -4.854 8.108 1.00 0.00 H new ATOM 0 HA GLU A 22 9.807 -7.193 6.756 1.00 0.00 H new ATOM 0 HB2 GLU A 22 10.670 -6.421 9.368 1.00 0.00 H new ATOM 0 HB3 GLU A 22 9.191 -7.342 9.555 1.00 0.00 H new ATOM 0 HG2 GLU A 22 10.522 -8.831 7.630 1.00 0.00 H new ATOM 0 HG3 GLU A 22 11.861 -8.229 8.587 1.00 0.00 H new ATOM 388 N ALA A 23 7.427 -5.334 7.901 1.00 0.00 N ATOM 389 CA ALA A 23 5.986 -5.148 7.946 1.00 0.00 C ATOM 390 C ALA A 23 5.452 -4.993 6.520 1.00 0.00 C ATOM 391 O ALA A 23 4.249 -5.108 6.289 1.00 0.00 O ATOM 392 CB ALA A 23 5.654 -3.943 8.827 1.00 0.00 C ATOM 0 H ALA A 23 7.972 -4.504 8.137 1.00 0.00 H new ATOM 0 HA ALA A 23 5.500 -6.018 8.388 1.00 0.00 H new ATOM 0 HB1 ALA A 23 4.573 -3.804 8.861 1.00 0.00 H new ATOM 0 HB2 ALA A 23 6.029 -4.115 9.836 1.00 0.00 H new ATOM 0 HB3 ALA A 23 6.122 -3.050 8.413 1.00 0.00 H new ATOM 398 N VAL A 24 6.372 -4.735 5.603 1.00 0.00 N ATOM 399 CA VAL A 24 6.008 -4.563 4.206 1.00 0.00 C ATOM 400 C VAL A 24 6.728 -5.617 3.363 1.00 0.00 C ATOM 401 O VAL A 24 6.754 -5.524 2.137 1.00 0.00 O ATOM 402 CB VAL A 24 6.310 -3.131 3.759 1.00 0.00 C ATOM 403 CG1 VAL A 24 5.613 -2.115 4.667 1.00 0.00 C ATOM 404 CG2 VAL A 24 7.818 -2.879 3.711 1.00 0.00 C ATOM 0 H VAL A 24 7.369 -4.641 5.799 1.00 0.00 H new ATOM 0 HA VAL A 24 4.937 -4.713 4.069 1.00 0.00 H new ATOM 0 HB VAL A 24 5.917 -3.004 2.750 1.00 0.00 H new ATOM 0 HG11 VAL A 24 5.844 -1.105 4.328 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.535 -2.273 4.629 1.00 0.00 H new ATOM 0 HG13 VAL A 24 5.963 -2.242 5.691 1.00 0.00 H new ATOM 0 HG21 VAL A 24 8.006 -1.854 3.390 1.00 0.00 H new ATOM 0 HG22 VAL A 24 8.244 -3.033 4.702 1.00 0.00 H new ATOM 0 HG23 VAL A 24 8.280 -3.570 3.006 1.00 0.00 H new ATOM 414 N SER A 25 7.296 -6.595 4.054 1.00 0.00 N ATOM 415 CA SER A 25 8.015 -7.665 3.383 1.00 0.00 C ATOM 416 C SER A 25 7.278 -8.992 3.578 1.00 0.00 C ATOM 417 O SER A 25 7.318 -9.861 2.708 1.00 0.00 O ATOM 418 CB SER A 25 9.450 -7.774 3.902 1.00 0.00 C ATOM 419 OG SER A 25 9.539 -8.608 5.054 1.00 0.00 O ATOM 0 H SER A 25 7.273 -6.669 5.071 1.00 0.00 H new ATOM 0 HA SER A 25 8.059 -7.433 2.319 1.00 0.00 H new ATOM 0 HB2 SER A 25 10.091 -8.173 3.115 1.00 0.00 H new ATOM 0 HB3 SER A 25 9.824 -6.779 4.145 1.00 0.00 H new ATOM 0 HG SER A 25 10.481 -8.783 5.259 1.00 0.00 H new ATOM 425 N THR A 26 6.622 -9.106 4.723 1.00 0.00 N ATOM 426 CA THR A 26 5.877 -10.312 5.043 1.00 0.00 C ATOM 427 C THR A 26 4.388 -10.111 4.754 1.00 0.00 C ATOM 428 O THR A 26 3.936 -8.983 4.563 1.00 0.00 O ATOM 429 CB THR A 26 6.170 -10.677 6.499 1.00 0.00 C ATOM 430 OG1 THR A 26 5.914 -9.473 7.217 1.00 0.00 O ATOM 431 CG2 THR A 26 7.655 -10.949 6.747 1.00 0.00 C ATOM 0 H THR A 26 6.591 -8.383 5.441 1.00 0.00 H new ATOM 0 HA THR A 26 6.188 -11.147 4.415 1.00 0.00 H new ATOM 0 HB THR A 26 5.588 -11.556 6.777 1.00 0.00 H new ATOM 0 HG1 THR A 26 6.752 -8.979 7.337 1.00 0.00 H new ATOM 0 HG21 THR A 26 7.808 -11.203 7.796 1.00 0.00 H new ATOM 0 HG22 THR A 26 7.982 -11.779 6.121 1.00 0.00 H new ATOM 0 HG23 THR A 26 8.234 -10.059 6.501 1.00 0.00 H new ATOM 439 N SER A 27 3.667 -11.222 4.732 1.00 0.00 N ATOM 440 CA SER A 27 2.239 -11.183 4.470 1.00 0.00 C ATOM 441 C SER A 27 1.482 -10.823 5.750 1.00 0.00 C ATOM 442 O SER A 27 0.576 -9.990 5.727 1.00 0.00 O ATOM 443 CB SER A 27 1.742 -12.521 3.918 1.00 0.00 C ATOM 444 OG SER A 27 2.639 -13.067 2.955 1.00 0.00 O ATOM 0 H SER A 27 4.046 -12.156 4.892 1.00 0.00 H new ATOM 0 HA SER A 27 2.051 -10.418 3.716 1.00 0.00 H new ATOM 0 HB2 SER A 27 1.617 -13.228 4.738 1.00 0.00 H new ATOM 0 HB3 SER A 27 0.761 -12.384 3.463 1.00 0.00 H new ATOM 0 HG SER A 27 3.313 -12.396 2.718 1.00 0.00 H new ATOM 450 N GLU A 28 1.881 -11.468 6.836 1.00 0.00 N ATOM 451 CA GLU A 28 1.251 -11.226 8.123 1.00 0.00 C ATOM 452 C GLU A 28 1.404 -9.756 8.521 1.00 0.00 C ATOM 453 O GLU A 28 0.509 -9.180 9.138 1.00 0.00 O ATOM 454 CB GLU A 28 1.830 -12.148 9.199 1.00 0.00 C ATOM 455 CG GLU A 28 0.728 -12.980 9.858 1.00 0.00 C ATOM 456 CD GLU A 28 -0.020 -12.162 10.912 1.00 0.00 C ATOM 457 OE1 GLU A 28 0.650 -11.726 11.873 1.00 0.00 O ATOM 458 OE2 GLU A 28 -1.245 -11.991 10.733 1.00 0.00 O ATOM 0 H GLU A 28 2.632 -12.158 6.852 1.00 0.00 H new ATOM 0 HA GLU A 28 0.188 -11.449 8.033 1.00 0.00 H new ATOM 0 HB2 GLU A 28 2.574 -12.809 8.755 1.00 0.00 H new ATOM 0 HB3 GLU A 28 2.343 -11.554 9.955 1.00 0.00 H new ATOM 0 HG2 GLU A 28 0.028 -13.329 9.099 1.00 0.00 H new ATOM 0 HG3 GLU A 28 1.164 -13.865 10.321 1.00 0.00 H new ATOM 465 N GLY A 29 2.544 -9.192 8.151 1.00 0.00 N ATOM 466 CA GLY A 29 2.825 -7.800 8.462 1.00 0.00 C ATOM 467 C GLY A 29 2.055 -6.864 7.529 1.00 0.00 C ATOM 468 O GLY A 29 1.593 -5.804 7.950 1.00 0.00 O ATOM 0 H GLY A 29 3.284 -9.673 7.639 1.00 0.00 H new ATOM 0 HA2 GLY A 29 2.553 -7.593 9.497 1.00 0.00 H new ATOM 0 HA3 GLY A 29 3.895 -7.612 8.370 1.00 0.00 H new ATOM 472 N LEU A 30 1.941 -7.288 6.279 1.00 0.00 N ATOM 473 CA LEU A 30 1.235 -6.501 5.283 1.00 0.00 C ATOM 474 C LEU A 30 -0.272 -6.623 5.517 1.00 0.00 C ATOM 475 O LEU A 30 -0.963 -5.618 5.675 1.00 0.00 O ATOM 476 CB LEU A 30 1.673 -6.903 3.873 1.00 0.00 C ATOM 477 CG LEU A 30 2.637 -5.945 3.171 1.00 0.00 C ATOM 478 CD1 LEU A 30 3.907 -6.673 2.726 1.00 0.00 C ATOM 479 CD2 LEU A 30 1.949 -5.228 2.008 1.00 0.00 C ATOM 0 H LEU A 30 2.326 -8.167 5.933 1.00 0.00 H new ATOM 0 HA LEU A 30 1.489 -5.446 5.382 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.143 -7.885 3.926 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.782 -7.009 3.254 1.00 0.00 H new ATOM 0 HG LEU A 30 2.939 -5.180 3.886 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.575 -5.969 2.230 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.408 -7.096 3.597 1.00 0.00 H new ATOM 0 HD13 LEU A 30 3.644 -7.473 2.034 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.657 -4.553 1.527 1.00 0.00 H new ATOM 0 HD22 LEU A 30 1.598 -5.963 1.284 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.101 -4.656 2.384 1.00 0.00 H new ATOM 491 N ALA A 31 -0.738 -7.864 5.531 1.00 0.00 N ATOM 492 CA ALA A 31 -2.151 -8.130 5.743 1.00 0.00 C ATOM 493 C ALA A 31 -2.608 -7.440 7.029 1.00 0.00 C ATOM 494 O ALA A 31 -3.802 -7.220 7.229 1.00 0.00 O ATOM 495 CB ALA A 31 -2.385 -9.642 5.777 1.00 0.00 C ATOM 0 H ALA A 31 -0.162 -8.696 5.399 1.00 0.00 H new ATOM 0 HA ALA A 31 -2.746 -7.726 4.924 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.444 -9.843 5.936 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -2.071 -10.080 4.830 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -1.807 -10.082 6.590 1.00 0.00 H new ATOM 501 N PHE A 32 -1.635 -7.117 7.868 1.00 0.00 N ATOM 502 CA PHE A 32 -1.922 -6.456 9.130 1.00 0.00 C ATOM 503 C PHE A 32 -2.558 -5.084 8.898 1.00 0.00 C ATOM 504 O PHE A 32 -3.223 -4.546 9.782 1.00 0.00 O ATOM 505 CB PHE A 32 -0.587 -6.271 9.853 1.00 0.00 C ATOM 506 CG PHE A 32 -0.647 -6.555 11.355 1.00 0.00 C ATOM 507 CD1 PHE A 32 -1.629 -5.999 12.113 1.00 0.00 C ATOM 508 CD2 PHE A 32 0.282 -7.365 11.931 1.00 0.00 C ATOM 509 CE1 PHE A 32 -1.684 -6.263 13.508 1.00 0.00 C ATOM 510 CE2 PHE A 32 0.226 -7.630 13.325 1.00 0.00 C ATOM 511 CZ PHE A 32 -0.756 -7.073 14.084 1.00 0.00 C ATOM 0 H PHE A 32 -0.646 -7.301 7.699 1.00 0.00 H new ATOM 0 HA PHE A 32 -2.620 -7.056 9.714 1.00 0.00 H new ATOM 0 HB2 PHE A 32 0.154 -6.929 9.399 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -0.242 -5.248 9.701 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -2.367 -5.357 11.655 1.00 0.00 H new ATOM 0 HD2 PHE A 32 1.062 -7.806 11.328 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -2.463 -5.820 14.111 1.00 0.00 H new ATOM 0 HE2 PHE A 32 0.963 -8.274 13.782 1.00 0.00 H new ATOM 0 HZ PHE A 32 -0.799 -7.274 15.144 1.00 0.00 H new ATOM 521 N TRP A 33 -2.331 -4.557 7.703 1.00 0.00 N ATOM 522 CA TRP A 33 -2.874 -3.258 7.344 1.00 0.00 C ATOM 523 C TRP A 33 -3.446 -3.360 5.929 1.00 0.00 C ATOM 524 O TRP A 33 -4.581 -2.953 5.683 1.00 0.00 O ATOM 525 CB TRP A 33 -1.813 -2.164 7.482 1.00 0.00 C ATOM 526 CG TRP A 33 -0.566 -2.395 6.627 1.00 0.00 C ATOM 527 CD1 TRP A 33 0.505 -3.146 6.917 1.00 0.00 C ATOM 528 CD2 TRP A 33 -0.302 -1.836 5.323 1.00 0.00 C ATOM 529 NE1 TRP A 33 1.437 -3.113 5.899 1.00 0.00 N ATOM 530 CE2 TRP A 33 0.930 -2.291 4.899 1.00 0.00 C ATOM 531 CE3 TRP A 33 -1.079 -0.976 4.527 1.00 0.00 C ATOM 532 CZ2 TRP A 33 1.495 -1.939 3.667 1.00 0.00 C ATOM 533 CZ3 TRP A 33 -0.500 -0.633 3.299 1.00 0.00 C ATOM 534 CH2 TRP A 33 0.739 -1.083 2.858 1.00 0.00 C ATOM 0 H TRP A 33 -1.779 -5.006 6.972 1.00 0.00 H new ATOM 0 HA TRP A 33 -3.676 -2.973 8.025 1.00 0.00 H new ATOM 0 HB2 TRP A 33 -2.256 -1.206 7.209 1.00 0.00 H new ATOM 0 HB3 TRP A 33 -1.515 -2.091 8.528 1.00 0.00 H new ATOM 0 HD1 TRP A 33 0.624 -3.707 7.832 1.00 0.00 H new ATOM 0 HE1 TRP A 33 2.332 -3.602 5.883 1.00 0.00 H new ATOM 0 HE3 TRP A 33 -2.046 -0.609 4.838 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 2.462 -2.308 3.358 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 -1.055 0.027 2.649 1.00 0.00 H new ATOM 0 HH2 TRP A 33 1.117 -0.773 1.895 1.00 0.00 H new ATOM 545 N PHE A 34 -2.635 -3.906 5.034 1.00 0.00 N ATOM 546 CA PHE A 34 -3.047 -4.067 3.650 1.00 0.00 C ATOM 547 C PHE A 34 -4.146 -5.124 3.524 1.00 0.00 C ATOM 548 O PHE A 34 -5.332 -4.802 3.591 1.00 0.00 O ATOM 549 CB PHE A 34 -1.817 -4.533 2.869 1.00 0.00 C ATOM 550 CG PHE A 34 -2.133 -5.064 1.469 1.00 0.00 C ATOM 551 CD1 PHE A 34 -3.060 -4.437 0.697 1.00 0.00 C ATOM 552 CD2 PHE A 34 -1.486 -6.164 0.998 1.00 0.00 C ATOM 553 CE1 PHE A 34 -3.353 -4.930 -0.602 1.00 0.00 C ATOM 554 CE2 PHE A 34 -1.780 -6.657 -0.301 1.00 0.00 C ATOM 555 CZ PHE A 34 -2.707 -6.030 -1.073 1.00 0.00 C ATOM 0 H PHE A 34 -1.695 -4.242 5.241 1.00 0.00 H new ATOM 0 HA PHE A 34 -3.440 -3.125 3.267 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -1.118 -3.701 2.782 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -1.313 -5.314 3.438 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -3.574 -3.564 1.072 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -0.750 -6.662 1.611 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -4.089 -4.431 -1.216 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -1.267 -7.530 -0.676 1.00 0.00 H new ATOM 0 HZ PHE A 34 -2.930 -6.406 -2.061 1.00 0.00 H new ATOM 565 N MET A 35 -3.714 -6.363 3.344 1.00 0.00 N ATOM 566 CA MET A 35 -4.647 -7.469 3.208 1.00 0.00 C ATOM 567 C MET A 35 -3.907 -8.808 3.167 1.00 0.00 C ATOM 568 O MET A 35 -2.698 -8.847 2.944 1.00 0.00 O ATOM 569 CB MET A 35 -5.461 -7.295 1.925 1.00 0.00 C ATOM 570 CG MET A 35 -6.816 -6.648 2.218 1.00 0.00 C ATOM 571 SD MET A 35 -7.017 -5.177 1.228 1.00 0.00 S ATOM 572 CE MET A 35 -6.690 -5.847 -0.394 1.00 0.00 C ATOM 0 H MET A 35 -2.730 -6.626 3.289 1.00 0.00 H new ATOM 0 HA MET A 35 -5.311 -7.469 4.072 1.00 0.00 H new ATOM 0 HB2 MET A 35 -4.905 -6.679 1.218 1.00 0.00 H new ATOM 0 HB3 MET A 35 -5.612 -8.265 1.452 1.00 0.00 H new ATOM 0 HG2 MET A 35 -7.619 -7.353 2.003 1.00 0.00 H new ATOM 0 HG3 MET A 35 -6.887 -6.397 3.276 1.00 0.00 H new ATOM 0 HE1 MET A 35 -7.369 -5.396 -1.118 1.00 0.00 H new ATOM 0 HE2 MET A 35 -5.660 -5.628 -0.677 1.00 0.00 H new ATOM 0 HE3 MET A 35 -6.841 -6.926 -0.379 1.00 0.00 H new ATOM 582 N GLU A 36 -4.665 -9.872 3.385 1.00 0.00 N ATOM 583 CA GLU A 36 -4.097 -11.210 3.376 1.00 0.00 C ATOM 584 C GLU A 36 -3.381 -11.473 2.049 1.00 0.00 C ATOM 585 O GLU A 36 -3.869 -11.084 0.989 1.00 0.00 O ATOM 586 CB GLU A 36 -5.174 -12.265 3.637 1.00 0.00 C ATOM 587 CG GLU A 36 -5.454 -12.403 5.134 1.00 0.00 C ATOM 588 CD GLU A 36 -5.367 -13.865 5.576 1.00 0.00 C ATOM 589 OE1 GLU A 36 -6.355 -14.591 5.335 1.00 0.00 O ATOM 590 OE2 GLU A 36 -4.313 -14.224 6.145 1.00 0.00 O ATOM 0 H GLU A 36 -5.668 -9.835 3.569 1.00 0.00 H new ATOM 0 HA GLU A 36 -3.366 -11.279 4.181 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -6.091 -11.991 3.116 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -4.853 -13.225 3.233 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -4.738 -11.806 5.698 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -6.445 -12.009 5.360 1.00 0.00 H new ATOM 597 N ASN A 37 -2.236 -12.131 2.151 1.00 0.00 N ATOM 598 CA ASN A 37 -1.449 -12.451 0.973 1.00 0.00 C ATOM 599 C ASN A 37 -0.418 -13.525 1.329 1.00 0.00 C ATOM 600 O ASN A 37 -0.380 -14.002 2.462 1.00 0.00 O ATOM 601 CB ASN A 37 -0.694 -11.221 0.465 1.00 0.00 C ATOM 602 CG ASN A 37 0.268 -10.689 1.529 1.00 0.00 C ATOM 603 OD1 ASN A 37 1.479 -10.749 1.395 1.00 0.00 O ATOM 604 ND2 ASN A 37 -0.338 -10.167 2.592 1.00 0.00 N ATOM 0 H ASN A 37 -1.834 -12.451 3.032 1.00 0.00 H new ATOM 0 HA ASN A 37 -2.130 -12.802 0.198 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -0.138 -11.478 -0.437 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -1.405 -10.442 0.190 1.00 0.00 H new ATOM 0 HD21 ASN A 37 0.216 -9.785 3.359 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -1.357 -10.148 2.640 1.00 0.00 H new ATOM 611 N ASP A 38 0.392 -13.873 0.340 1.00 0.00 N ATOM 612 CA ASP A 38 1.420 -14.882 0.535 1.00 0.00 C ATOM 613 C ASP A 38 2.781 -14.295 0.159 1.00 0.00 C ATOM 614 O ASP A 38 3.758 -15.028 0.012 1.00 0.00 O ATOM 615 CB ASP A 38 1.169 -16.102 -0.353 1.00 0.00 C ATOM 616 CG ASP A 38 0.540 -17.302 0.359 1.00 0.00 C ATOM 617 OD1 ASP A 38 -0.596 -17.137 0.853 1.00 0.00 O ATOM 618 OD2 ASP A 38 1.210 -18.356 0.394 1.00 0.00 O ATOM 0 H ASP A 38 0.358 -13.475 -0.598 1.00 0.00 H new ATOM 0 HA ASP A 38 1.400 -15.187 1.581 1.00 0.00 H new ATOM 0 HB2 ASP A 38 0.519 -15.806 -1.176 1.00 0.00 H new ATOM 0 HB3 ASP A 38 2.117 -16.415 -0.791 1.00 0.00 H new ATOM 623 N LEU A 39 2.803 -12.978 0.014 1.00 0.00 N ATOM 624 CA LEU A 39 4.029 -12.284 -0.342 1.00 0.00 C ATOM 625 C LEU A 39 5.172 -12.791 0.540 1.00 0.00 C ATOM 626 O LEU A 39 4.941 -13.249 1.658 1.00 0.00 O ATOM 627 CB LEU A 39 3.826 -10.769 -0.275 1.00 0.00 C ATOM 628 CG LEU A 39 4.957 -9.915 -0.851 1.00 0.00 C ATOM 629 CD1 LEU A 39 4.464 -9.076 -2.032 1.00 0.00 C ATOM 630 CD2 LEU A 39 5.601 -9.052 0.236 1.00 0.00 C ATOM 0 H LEU A 39 1.991 -12.373 0.137 1.00 0.00 H new ATOM 0 HA LEU A 39 4.303 -12.500 -1.375 1.00 0.00 H new ATOM 0 HB2 LEU A 39 2.905 -10.522 -0.804 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.680 -10.488 0.768 1.00 0.00 H new ATOM 0 HG LEU A 39 5.730 -10.583 -1.231 1.00 0.00 H new ATOM 0 HD11 LEU A 39 5.288 -8.478 -2.423 1.00 0.00 H new ATOM 0 HD12 LEU A 39 4.090 -9.735 -2.816 1.00 0.00 H new ATOM 0 HD13 LEU A 39 3.662 -8.416 -1.700 1.00 0.00 H new ATOM 0 HD21 LEU A 39 6.402 -8.455 -0.200 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.850 -8.391 0.668 1.00 0.00 H new ATOM 0 HD23 LEU A 39 6.011 -9.694 1.015 1.00 0.00 H new ATOM 642 N LYS A 40 6.379 -12.693 0.004 1.00 0.00 N ATOM 643 CA LYS A 40 7.558 -13.136 0.728 1.00 0.00 C ATOM 644 C LYS A 40 8.754 -12.270 0.326 1.00 0.00 C ATOM 645 O LYS A 40 9.902 -12.695 0.450 1.00 0.00 O ATOM 646 CB LYS A 40 7.785 -14.634 0.518 1.00 0.00 C ATOM 647 CG LYS A 40 7.987 -15.352 1.854 1.00 0.00 C ATOM 648 CD LYS A 40 7.646 -16.839 1.735 1.00 0.00 C ATOM 649 CE LYS A 40 6.200 -17.105 2.157 1.00 0.00 C ATOM 650 NZ LYS A 40 6.069 -18.464 2.728 1.00 0.00 N ATOM 0 H LYS A 40 6.566 -12.313 -0.924 1.00 0.00 H new ATOM 0 HA LYS A 40 7.417 -13.006 1.801 1.00 0.00 H new ATOM 0 HB2 LYS A 40 6.931 -15.065 -0.005 1.00 0.00 H new ATOM 0 HB3 LYS A 40 8.658 -14.787 -0.117 1.00 0.00 H new ATOM 0 HG2 LYS A 40 9.021 -15.237 2.180 1.00 0.00 H new ATOM 0 HG3 LYS A 40 7.359 -14.891 2.617 1.00 0.00 H new ATOM 0 HD2 LYS A 40 7.795 -17.169 0.707 1.00 0.00 H new ATOM 0 HD3 LYS A 40 8.324 -17.422 2.358 1.00 0.00 H new ATOM 0 HE2 LYS A 40 5.887 -16.363 2.892 1.00 0.00 H new ATOM 0 HE3 LYS A 40 5.539 -17.000 1.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 5.081 -18.629 3.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 6.348 -19.168 2.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 6.685 -18.551 3.561 1.00 0.00 H new ATOM 664 N ALA A 41 8.444 -11.072 -0.148 1.00 0.00 N ATOM 665 CA ALA A 41 9.479 -10.144 -0.569 1.00 0.00 C ATOM 666 C ALA A 41 10.477 -10.873 -1.469 1.00 0.00 C ATOM 667 O ALA A 41 11.638 -11.048 -1.101 1.00 0.00 O ATOM 668 CB ALA A 41 10.145 -9.529 0.663 1.00 0.00 C ATOM 0 H ALA A 41 7.491 -10.723 -0.250 1.00 0.00 H new ATOM 0 HA ALA A 41 9.049 -9.327 -1.149 1.00 0.00 H new ATOM 0 HB1 ALA A 41 10.922 -8.833 0.347 1.00 0.00 H new ATOM 0 HB2 ALA A 41 9.398 -8.997 1.253 1.00 0.00 H new ATOM 0 HB3 ALA A 41 10.590 -10.319 1.268 1.00 0.00 H new ATOM 674 N GLU A 42 9.990 -11.280 -2.632 1.00 0.00 N ATOM 675 CA GLU A 42 10.825 -11.987 -3.588 1.00 0.00 C ATOM 676 C GLU A 42 10.312 -11.760 -5.011 1.00 0.00 C ATOM 677 O GLU A 42 9.243 -12.249 -5.375 1.00 0.00 O ATOM 678 CB GLU A 42 10.890 -13.480 -3.260 1.00 0.00 C ATOM 679 CG GLU A 42 12.324 -14.003 -3.369 1.00 0.00 C ATOM 680 CD GLU A 42 12.597 -15.078 -2.315 1.00 0.00 C ATOM 681 OE1 GLU A 42 11.867 -16.093 -2.337 1.00 0.00 O ATOM 682 OE2 GLU A 42 13.528 -14.861 -1.510 1.00 0.00 O ATOM 0 H GLU A 42 9.027 -11.133 -2.934 1.00 0.00 H new ATOM 0 HA GLU A 42 11.838 -11.589 -3.520 1.00 0.00 H new ATOM 0 HB2 GLU A 42 10.512 -13.651 -2.252 1.00 0.00 H new ATOM 0 HB3 GLU A 42 10.244 -14.034 -3.941 1.00 0.00 H new ATOM 0 HG2 GLU A 42 12.490 -14.414 -4.365 1.00 0.00 H new ATOM 0 HG3 GLU A 42 13.026 -13.179 -3.243 1.00 0.00 H new ATOM 689 N THR A 43 11.097 -11.018 -5.778 1.00 0.00 N ATOM 690 CA THR A 43 10.736 -10.720 -7.154 1.00 0.00 C ATOM 691 C THR A 43 10.343 -12.002 -7.891 1.00 0.00 C ATOM 692 O THR A 43 10.987 -13.038 -7.729 1.00 0.00 O ATOM 693 CB THR A 43 11.908 -9.981 -7.801 1.00 0.00 C ATOM 694 OG1 THR A 43 11.296 -9.160 -8.792 1.00 0.00 O ATOM 695 CG2 THR A 43 12.818 -10.915 -8.602 1.00 0.00 C ATOM 0 H THR A 43 11.982 -10.614 -5.473 1.00 0.00 H new ATOM 0 HA THR A 43 9.860 -10.073 -7.202 1.00 0.00 H new ATOM 0 HB THR A 43 12.491 -9.479 -7.029 1.00 0.00 H new ATOM 0 HG1 THR A 43 11.985 -8.644 -9.260 1.00 0.00 H new ATOM 0 HG21 THR A 43 13.634 -10.340 -9.040 1.00 0.00 H new ATOM 0 HG22 THR A 43 13.227 -11.679 -7.941 1.00 0.00 H new ATOM 0 HG23 THR A 43 12.242 -11.391 -9.396 1.00 0.00 H new ATOM 703 N GLY A 44 9.289 -11.890 -8.686 1.00 0.00 N ATOM 704 CA GLY A 44 8.803 -13.027 -9.449 1.00 0.00 C ATOM 705 C GLY A 44 8.218 -14.098 -8.526 1.00 0.00 C ATOM 706 O GLY A 44 8.386 -15.292 -8.769 1.00 0.00 O ATOM 0 H GLY A 44 8.758 -11.029 -8.818 1.00 0.00 H new ATOM 0 HA2 GLY A 44 8.042 -12.696 -10.156 1.00 0.00 H new ATOM 0 HA3 GLY A 44 9.619 -13.452 -10.034 1.00 0.00 H new ATOM 710 N HIS A 45 7.544 -13.632 -7.485 1.00 0.00 N ATOM 711 CA HIS A 45 6.933 -14.534 -6.524 1.00 0.00 C ATOM 712 C HIS A 45 5.412 -14.376 -6.565 1.00 0.00 C ATOM 713 O HIS A 45 4.802 -13.946 -5.587 1.00 0.00 O ATOM 714 CB HIS A 45 7.514 -14.313 -5.126 1.00 0.00 C ATOM 715 CG HIS A 45 6.937 -15.225 -4.069 1.00 0.00 C ATOM 716 ND1 HIS A 45 6.976 -16.605 -4.168 1.00 0.00 N ATOM 717 CD2 HIS A 45 6.309 -14.941 -2.893 1.00 0.00 C ATOM 718 CE1 HIS A 45 6.393 -17.118 -3.094 1.00 0.00 C ATOM 719 NE2 HIS A 45 5.980 -16.085 -2.305 1.00 0.00 N ATOM 0 H HIS A 45 7.408 -12.641 -7.286 1.00 0.00 H new ATOM 0 HA HIS A 45 7.163 -15.565 -6.792 1.00 0.00 H new ATOM 0 HB2 HIS A 45 8.594 -14.457 -5.166 1.00 0.00 H new ATOM 0 HB3 HIS A 45 7.341 -13.278 -4.832 1.00 0.00 H new ATOM 0 HD2 HIS A 45 6.112 -13.952 -2.505 1.00 0.00 H new ATOM 0 HE1 HIS A 45 6.267 -18.169 -2.881 1.00 0.00 H new ATOM 0 HE2 HIS A 45 5.498 -16.176 -1.411 1.00 0.00 H new ATOM 727 N HIS A 46 4.843 -14.731 -7.708 1.00 0.00 N ATOM 728 CA HIS A 46 3.405 -14.634 -7.890 1.00 0.00 C ATOM 729 C HIS A 46 2.694 -15.116 -6.625 1.00 0.00 C ATOM 730 O HIS A 46 2.667 -16.313 -6.341 1.00 0.00 O ATOM 731 CB HIS A 46 2.964 -15.391 -9.144 1.00 0.00 C ATOM 732 CG HIS A 46 3.767 -16.639 -9.422 1.00 0.00 C ATOM 733 ND1 HIS A 46 4.142 -17.021 -10.699 1.00 0.00 N ATOM 734 CD2 HIS A 46 4.264 -17.587 -8.576 1.00 0.00 C ATOM 735 CE1 HIS A 46 4.832 -18.149 -10.612 1.00 0.00 C ATOM 736 NE2 HIS A 46 4.906 -18.498 -9.296 1.00 0.00 N ATOM 0 H HIS A 46 5.352 -15.086 -8.517 1.00 0.00 H new ATOM 0 HA HIS A 46 3.124 -13.593 -8.048 1.00 0.00 H new ATOM 0 HB2 HIS A 46 1.913 -15.663 -9.041 1.00 0.00 H new ATOM 0 HB3 HIS A 46 3.038 -14.725 -10.003 1.00 0.00 H new ATOM 0 HD2 HIS A 46 4.154 -17.595 -7.502 1.00 0.00 H new ATOM 0 HE1 HIS A 46 5.261 -18.696 -11.439 1.00 0.00 H new ATOM 0 HE2 HIS A 46 5.377 -19.323 -8.926 1.00 0.00 H new ATOM 744 N PHE A 47 2.135 -14.160 -5.898 1.00 0.00 N ATOM 745 CA PHE A 47 1.425 -14.472 -4.669 1.00 0.00 C ATOM 746 C PHE A 47 -0.054 -14.098 -4.780 1.00 0.00 C ATOM 747 O PHE A 47 -0.394 -13.050 -5.328 1.00 0.00 O ATOM 748 CB PHE A 47 2.067 -13.639 -3.557 1.00 0.00 C ATOM 749 CG PHE A 47 1.644 -12.169 -3.558 1.00 0.00 C ATOM 750 CD1 PHE A 47 2.339 -11.262 -4.296 1.00 0.00 C ATOM 751 CD2 PHE A 47 0.574 -11.769 -2.821 1.00 0.00 C ATOM 752 CE1 PHE A 47 1.946 -9.897 -4.296 1.00 0.00 C ATOM 753 CE2 PHE A 47 0.181 -10.404 -2.821 1.00 0.00 C ATOM 754 CZ PHE A 47 0.876 -9.497 -3.559 1.00 0.00 C ATOM 0 H PHE A 47 2.159 -13.169 -6.136 1.00 0.00 H new ATOM 0 HA PHE A 47 1.488 -15.541 -4.465 1.00 0.00 H new ATOM 0 HB2 PHE A 47 1.811 -14.079 -2.593 1.00 0.00 H new ATOM 0 HB3 PHE A 47 3.151 -13.695 -3.655 1.00 0.00 H new ATOM 0 HD1 PHE A 47 3.189 -11.580 -4.882 1.00 0.00 H new ATOM 0 HD2 PHE A 47 0.022 -12.489 -2.235 1.00 0.00 H new ATOM 0 HE1 PHE A 47 2.498 -9.177 -4.882 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -0.669 -10.086 -2.235 1.00 0.00 H new ATOM 0 HZ PHE A 47 0.578 -8.459 -3.559 1.00 0.00 H new ATOM 764 N HIS A 48 -0.895 -14.975 -4.251 1.00 0.00 N ATOM 765 CA HIS A 48 -2.330 -14.750 -4.284 1.00 0.00 C ATOM 766 C HIS A 48 -2.715 -13.734 -3.206 1.00 0.00 C ATOM 767 O HIS A 48 -1.975 -13.533 -2.245 1.00 0.00 O ATOM 768 CB HIS A 48 -3.090 -16.071 -4.152 1.00 0.00 C ATOM 769 CG HIS A 48 -3.022 -16.944 -5.382 1.00 0.00 C ATOM 770 ND1 HIS A 48 -1.971 -17.810 -5.629 1.00 0.00 N ATOM 771 CD2 HIS A 48 -3.885 -17.077 -6.430 1.00 0.00 C ATOM 772 CE1 HIS A 48 -2.201 -18.430 -6.777 1.00 0.00 C ATOM 773 NE2 HIS A 48 -3.388 -17.974 -7.272 1.00 0.00 N ATOM 0 H HIS A 48 -0.610 -15.843 -3.797 1.00 0.00 H new ATOM 0 HA HIS A 48 -2.614 -14.329 -5.249 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -2.690 -16.625 -3.303 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -4.135 -15.856 -3.929 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -4.815 -16.543 -6.553 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -1.561 -19.167 -7.240 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -3.822 -18.273 -8.145 1.00 0.00 H new ATOM 781 N LEU A 49 -3.872 -13.120 -3.404 1.00 0.00 N ATOM 782 CA LEU A 49 -4.365 -12.130 -2.461 1.00 0.00 C ATOM 783 C LEU A 49 -5.815 -12.454 -2.099 1.00 0.00 C ATOM 784 O LEU A 49 -6.648 -12.661 -2.981 1.00 0.00 O ATOM 785 CB LEU A 49 -4.171 -10.718 -3.017 1.00 0.00 C ATOM 786 CG LEU A 49 -4.779 -9.582 -2.192 1.00 0.00 C ATOM 787 CD1 LEU A 49 -3.888 -9.236 -0.996 1.00 0.00 C ATOM 788 CD2 LEU A 49 -5.065 -8.360 -3.066 1.00 0.00 C ATOM 0 H LEU A 49 -4.483 -13.289 -4.203 1.00 0.00 H new ATOM 0 HA LEU A 49 -3.790 -12.166 -1.536 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -3.102 -10.533 -3.120 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -4.599 -10.682 -4.019 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.735 -9.923 -1.794 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.343 -8.426 -0.426 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.780 -10.113 -0.357 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -2.906 -8.923 -1.352 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -5.497 -7.568 -2.454 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.136 -8.007 -3.514 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.767 -8.633 -3.854 1.00 0.00 H new ATOM 800 N GLN A 50 -6.074 -12.488 -0.800 1.00 0.00 N ATOM 801 CA GLN A 50 -7.409 -12.784 -0.310 1.00 0.00 C ATOM 802 C GLN A 50 -8.145 -11.489 0.040 1.00 0.00 C ATOM 803 O GLN A 50 -8.296 -11.154 1.214 1.00 0.00 O ATOM 804 CB GLN A 50 -7.356 -13.726 0.894 1.00 0.00 C ATOM 805 CG GLN A 50 -6.883 -15.121 0.478 1.00 0.00 C ATOM 806 CD GLN A 50 -8.029 -16.132 0.551 1.00 0.00 C ATOM 807 OE1 GLN A 50 -8.167 -16.885 1.500 1.00 0.00 O ATOM 808 NE2 GLN A 50 -8.841 -16.107 -0.503 1.00 0.00 N ATOM 0 H GLN A 50 -5.381 -12.315 -0.072 1.00 0.00 H new ATOM 0 HA GLN A 50 -7.961 -13.291 -1.102 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -6.683 -13.320 1.649 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -8.343 -13.794 1.351 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -6.487 -15.087 -0.537 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -6.068 -15.442 1.127 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -8.668 -15.451 -1.264 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -9.636 -16.744 -0.549 1.00 0.00 H new ATOM 817 N SER A 51 -8.584 -10.795 -1.000 1.00 0.00 N ATOM 818 CA SER A 51 -9.300 -9.544 -0.818 1.00 0.00 C ATOM 819 C SER A 51 -10.796 -9.817 -0.652 1.00 0.00 C ATOM 820 O SER A 51 -11.252 -10.941 -0.855 1.00 0.00 O ATOM 821 CB SER A 51 -9.060 -8.595 -1.994 1.00 0.00 C ATOM 822 OG SER A 51 -10.135 -8.622 -2.929 1.00 0.00 O ATOM 0 H SER A 51 -8.457 -11.076 -1.972 1.00 0.00 H new ATOM 0 HA SER A 51 -8.923 -9.062 0.084 1.00 0.00 H new ATOM 0 HB2 SER A 51 -8.930 -7.579 -1.620 1.00 0.00 H new ATOM 0 HB3 SER A 51 -8.134 -8.870 -2.498 1.00 0.00 H new ATOM 0 HG SER A 51 -10.107 -9.460 -3.436 1.00 0.00 H new ATOM 828 N PRO A 52 -11.538 -8.742 -0.275 1.00 0.00 N ATOM 829 CA PRO A 52 -12.974 -8.854 -0.080 1.00 0.00 C ATOM 830 C PRO A 52 -13.705 -8.933 -1.422 1.00 0.00 C ATOM 831 O PRO A 52 -14.559 -9.796 -1.618 1.00 0.00 O ATOM 832 CB PRO A 52 -13.357 -7.630 0.735 1.00 0.00 C ATOM 833 CG PRO A 52 -12.212 -6.644 0.570 1.00 0.00 C ATOM 834 CD PRO A 52 -11.033 -7.395 -0.026 1.00 0.00 C ATOM 0 HA PRO A 52 -13.258 -9.768 0.442 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -14.295 -7.202 0.380 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -13.501 -7.889 1.784 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -12.508 -5.820 -0.080 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -11.941 -6.209 1.532 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -10.689 -6.925 -0.947 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -10.186 -7.410 0.660 1.00 0.00 H new ATOM 842 N PHE A 53 -13.343 -8.019 -2.311 1.00 0.00 N ATOM 843 CA PHE A 53 -13.954 -7.974 -3.629 1.00 0.00 C ATOM 844 C PHE A 53 -13.393 -9.075 -4.531 1.00 0.00 C ATOM 845 O PHE A 53 -12.909 -8.797 -5.628 1.00 0.00 O ATOM 846 CB PHE A 53 -13.612 -6.611 -4.233 1.00 0.00 C ATOM 847 CG PHE A 53 -14.118 -5.422 -3.414 1.00 0.00 C ATOM 848 CD1 PHE A 53 -15.454 -5.211 -3.276 1.00 0.00 C ATOM 849 CD2 PHE A 53 -13.231 -4.577 -2.824 1.00 0.00 C ATOM 850 CE1 PHE A 53 -15.923 -4.107 -2.515 1.00 0.00 C ATOM 851 CE2 PHE A 53 -13.700 -3.474 -2.063 1.00 0.00 C ATOM 852 CZ PHE A 53 -15.036 -3.262 -1.925 1.00 0.00 C ATOM 0 H PHE A 53 -12.635 -7.304 -2.144 1.00 0.00 H new ATOM 0 HA PHE A 53 -15.031 -8.124 -3.546 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -12.530 -6.533 -4.337 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -14.034 -6.554 -5.236 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -16.158 -5.882 -3.745 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -12.170 -4.745 -2.934 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -16.984 -3.939 -2.405 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -12.996 -2.803 -1.594 1.00 0.00 H new ATOM 0 HZ PHE A 53 -15.393 -2.422 -1.347 1.00 0.00 H new ATOM 862 N GLY A 54 -13.476 -10.301 -4.037 1.00 0.00 N ATOM 863 CA GLY A 54 -12.982 -11.445 -4.785 1.00 0.00 C ATOM 864 C GLY A 54 -11.455 -11.523 -4.723 1.00 0.00 C ATOM 865 O GLY A 54 -10.781 -10.500 -4.614 1.00 0.00 O ATOM 0 H GLY A 54 -13.878 -10.528 -3.127 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -13.413 -12.361 -4.382 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -13.304 -11.371 -5.824 1.00 0.00 H new ATOM 869 N PRO A 55 -10.941 -12.780 -4.797 1.00 0.00 N ATOM 870 CA PRO A 55 -9.506 -13.005 -4.750 1.00 0.00 C ATOM 871 C PRO A 55 -8.847 -12.620 -6.076 1.00 0.00 C ATOM 872 O PRO A 55 -9.437 -12.796 -7.141 1.00 0.00 O ATOM 873 CB PRO A 55 -9.350 -14.480 -4.415 1.00 0.00 C ATOM 874 CG PRO A 55 -10.687 -15.125 -4.744 1.00 0.00 C ATOM 875 CD PRO A 55 -11.708 -14.015 -4.926 1.00 0.00 C ATOM 0 HA PRO A 55 -9.007 -12.386 -4.004 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -8.545 -14.930 -4.997 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -9.098 -14.617 -3.363 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -10.609 -15.724 -5.651 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -10.993 -15.798 -3.943 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -12.193 -14.080 -5.900 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -12.494 -14.073 -4.173 1.00 0.00 H new ATOM 883 N SER A 56 -7.632 -12.102 -5.968 1.00 0.00 N ATOM 884 CA SER A 56 -6.886 -11.691 -7.145 1.00 0.00 C ATOM 885 C SER A 56 -5.417 -12.093 -7.001 1.00 0.00 C ATOM 886 O SER A 56 -4.813 -11.883 -5.950 1.00 0.00 O ATOM 887 CB SER A 56 -7.004 -10.183 -7.372 1.00 0.00 C ATOM 888 OG SER A 56 -7.963 -9.867 -8.378 1.00 0.00 O ATOM 0 H SER A 56 -7.146 -11.958 -5.083 1.00 0.00 H new ATOM 0 HA SER A 56 -7.310 -12.196 -8.013 1.00 0.00 H new ATOM 0 HB2 SER A 56 -7.285 -9.697 -6.438 1.00 0.00 H new ATOM 0 HB3 SER A 56 -6.032 -9.783 -7.660 1.00 0.00 H new ATOM 0 HG SER A 56 -7.600 -9.176 -8.971 1.00 0.00 H new ATOM 894 N PRO A 57 -4.871 -12.680 -8.099 1.00 0.00 N ATOM 895 CA PRO A 57 -3.485 -13.113 -8.105 1.00 0.00 C ATOM 896 C PRO A 57 -2.537 -11.918 -8.230 1.00 0.00 C ATOM 897 O PRO A 57 -2.562 -11.203 -9.230 1.00 0.00 O ATOM 898 CB PRO A 57 -3.379 -14.079 -9.274 1.00 0.00 C ATOM 899 CG PRO A 57 -4.583 -13.796 -10.158 1.00 0.00 C ATOM 900 CD PRO A 57 -5.557 -12.945 -9.361 1.00 0.00 C ATOM 0 HA PRO A 57 -3.193 -13.600 -7.175 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -2.448 -13.929 -9.822 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -3.382 -15.113 -8.928 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -4.276 -13.276 -11.066 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -5.056 -14.728 -10.469 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -5.794 -12.019 -9.885 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -6.499 -13.469 -9.197 1.00 0.00 H new ATOM 908 N CYS A 58 -1.724 -11.738 -7.199 1.00 0.00 N ATOM 909 CA CYS A 58 -0.770 -10.642 -7.180 1.00 0.00 C ATOM 910 C CYS A 58 0.608 -11.199 -7.544 1.00 0.00 C ATOM 911 O CYS A 58 0.854 -12.396 -7.407 1.00 0.00 O ATOM 912 CB CYS A 58 -0.758 -9.926 -5.829 1.00 0.00 C ATOM 913 SG CYS A 58 -2.350 -9.062 -5.564 1.00 0.00 S ATOM 0 H CYS A 58 -1.706 -12.333 -6.371 1.00 0.00 H new ATOM 0 HA CYS A 58 -1.062 -9.889 -7.913 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -0.588 -10.646 -5.028 1.00 0.00 H new ATOM 0 HB3 CYS A 58 0.064 -9.211 -5.795 1.00 0.00 H new ATOM 0 HG CYS A 58 -2.198 -8.139 -4.661 1.00 0.00 H new ATOM 919 N GLN A 59 1.471 -10.303 -7.999 1.00 0.00 N ATOM 920 CA GLN A 59 2.818 -10.689 -8.383 1.00 0.00 C ATOM 921 C GLN A 59 3.799 -9.550 -8.097 1.00 0.00 C ATOM 922 O GLN A 59 3.462 -8.379 -8.266 1.00 0.00 O ATOM 923 CB GLN A 59 2.872 -11.102 -9.855 1.00 0.00 C ATOM 924 CG GLN A 59 4.292 -11.502 -10.261 1.00 0.00 C ATOM 925 CD GLN A 59 4.978 -10.375 -11.035 1.00 0.00 C ATOM 926 OE1 GLN A 59 4.523 -9.243 -11.070 1.00 0.00 O ATOM 927 NE2 GLN A 59 6.097 -10.745 -11.652 1.00 0.00 N ATOM 0 H GLN A 59 1.264 -9.311 -8.110 1.00 0.00 H new ATOM 0 HA GLN A 59 3.111 -11.553 -7.786 1.00 0.00 H new ATOM 0 HB2 GLN A 59 2.192 -11.936 -10.027 1.00 0.00 H new ATOM 0 HB3 GLN A 59 2.530 -10.277 -10.480 1.00 0.00 H new ATOM 0 HG2 GLN A 59 4.874 -11.744 -9.372 1.00 0.00 H new ATOM 0 HG3 GLN A 59 4.259 -12.402 -10.875 1.00 0.00 H new ATOM 0 HE21 GLN A 59 6.423 -11.709 -11.582 1.00 0.00 H new ATOM 0 HE22 GLN A 59 6.629 -10.065 -12.195 1.00 0.00 H new ATOM 936 N VAL A 60 4.993 -9.933 -7.669 1.00 0.00 N ATOM 937 CA VAL A 60 6.025 -8.959 -7.358 1.00 0.00 C ATOM 938 C VAL A 60 6.898 -8.736 -8.594 1.00 0.00 C ATOM 939 O VAL A 60 7.267 -9.689 -9.279 1.00 0.00 O ATOM 940 CB VAL A 60 6.824 -9.415 -6.136 1.00 0.00 C ATOM 941 CG1 VAL A 60 7.847 -8.354 -5.723 1.00 0.00 C ATOM 942 CG2 VAL A 60 5.894 -9.762 -4.972 1.00 0.00 C ATOM 0 H VAL A 60 5.269 -10.905 -7.530 1.00 0.00 H new ATOM 0 HA VAL A 60 5.579 -7.999 -7.098 1.00 0.00 H new ATOM 0 HB VAL A 60 7.370 -10.318 -6.410 1.00 0.00 H new ATOM 0 HG11 VAL A 60 8.402 -8.703 -4.852 1.00 0.00 H new ATOM 0 HG12 VAL A 60 8.539 -8.176 -6.546 1.00 0.00 H new ATOM 0 HG13 VAL A 60 7.330 -7.427 -5.476 1.00 0.00 H new ATOM 0 HG21 VAL A 60 6.487 -10.083 -4.116 1.00 0.00 H new ATOM 0 HG22 VAL A 60 5.309 -8.884 -4.699 1.00 0.00 H new ATOM 0 HG23 VAL A 60 5.222 -10.567 -5.270 1.00 0.00 H new ATOM 952 N THR A 61 7.205 -7.471 -8.843 1.00 0.00 N ATOM 953 CA THR A 61 8.028 -7.110 -9.984 1.00 0.00 C ATOM 954 C THR A 61 9.418 -6.670 -9.521 1.00 0.00 C ATOM 955 O THR A 61 10.406 -6.878 -10.225 1.00 0.00 O ATOM 956 CB THR A 61 7.285 -6.037 -10.783 1.00 0.00 C ATOM 957 OG1 THR A 61 7.217 -4.927 -9.892 1.00 0.00 O ATOM 958 CG2 THR A 61 5.821 -6.403 -11.035 1.00 0.00 C ATOM 0 H THR A 61 6.898 -6.683 -8.273 1.00 0.00 H new ATOM 0 HA THR A 61 8.194 -7.966 -10.638 1.00 0.00 H new ATOM 0 HB THR A 61 7.789 -5.880 -11.737 1.00 0.00 H new ATOM 0 HG1 THR A 61 6.752 -4.184 -10.330 1.00 0.00 H new ATOM 0 HG21 THR A 61 5.340 -5.608 -11.605 1.00 0.00 H new ATOM 0 HG22 THR A 61 5.771 -7.335 -11.598 1.00 0.00 H new ATOM 0 HG23 THR A 61 5.308 -6.527 -10.081 1.00 0.00 H new ATOM 966 N ASP A 62 9.451 -6.070 -8.340 1.00 0.00 N ATOM 967 CA ASP A 62 10.704 -5.599 -7.775 1.00 0.00 C ATOM 968 C ASP A 62 10.583 -5.545 -6.251 1.00 0.00 C ATOM 969 O ASP A 62 9.591 -5.047 -5.720 1.00 0.00 O ATOM 970 CB ASP A 62 11.037 -4.190 -8.272 1.00 0.00 C ATOM 971 CG ASP A 62 12.429 -4.034 -8.887 1.00 0.00 C ATOM 972 OD1 ASP A 62 13.195 -5.019 -8.815 1.00 0.00 O ATOM 973 OD2 ASP A 62 12.696 -2.933 -9.414 1.00 0.00 O ATOM 0 H ASP A 62 8.630 -5.899 -7.759 1.00 0.00 H new ATOM 0 HA ASP A 62 11.492 -6.286 -8.083 1.00 0.00 H new ATOM 0 HB2 ASP A 62 10.294 -3.897 -9.014 1.00 0.00 H new ATOM 0 HB3 ASP A 62 10.945 -3.495 -7.437 1.00 0.00 H new ATOM 978 N VAL A 63 11.605 -6.067 -5.589 1.00 0.00 N ATOM 979 CA VAL A 63 11.626 -6.085 -4.136 1.00 0.00 C ATOM 980 C VAL A 63 13.056 -6.332 -3.654 1.00 0.00 C ATOM 981 O VAL A 63 13.584 -7.433 -3.804 1.00 0.00 O ATOM 982 CB VAL A 63 10.630 -7.122 -3.612 1.00 0.00 C ATOM 983 CG1 VAL A 63 10.813 -8.465 -4.322 1.00 0.00 C ATOM 984 CG2 VAL A 63 10.753 -7.282 -2.096 1.00 0.00 C ATOM 0 H VAL A 63 12.425 -6.481 -6.032 1.00 0.00 H new ATOM 0 HA VAL A 63 11.311 -5.121 -3.737 1.00 0.00 H new ATOM 0 HB VAL A 63 9.625 -6.762 -3.830 1.00 0.00 H new ATOM 0 HG11 VAL A 63 10.093 -9.184 -3.931 1.00 0.00 H new ATOM 0 HG12 VAL A 63 10.652 -8.336 -5.392 1.00 0.00 H new ATOM 0 HG13 VAL A 63 11.824 -8.833 -4.149 1.00 0.00 H new ATOM 0 HG21 VAL A 63 10.034 -8.024 -1.749 1.00 0.00 H new ATOM 0 HG22 VAL A 63 11.762 -7.609 -1.845 1.00 0.00 H new ATOM 0 HG23 VAL A 63 10.550 -6.327 -1.612 1.00 0.00 H new ATOM 994 N GLU A 64 13.644 -5.290 -3.085 1.00 0.00 N ATOM 995 CA GLU A 64 15.003 -5.381 -2.579 1.00 0.00 C ATOM 996 C GLU A 64 15.228 -4.348 -1.473 1.00 0.00 C ATOM 997 O GLU A 64 15.373 -3.158 -1.750 1.00 0.00 O ATOM 998 CB GLU A 64 16.021 -5.205 -3.708 1.00 0.00 C ATOM 999 CG GLU A 64 17.444 -5.463 -3.209 1.00 0.00 C ATOM 1000 CD GLU A 64 18.057 -6.680 -3.904 1.00 0.00 C ATOM 1001 OE1 GLU A 64 17.717 -6.887 -5.089 1.00 0.00 O ATOM 1002 OE2 GLU A 64 18.851 -7.375 -3.236 1.00 0.00 O ATOM 0 H GLU A 64 13.204 -4.378 -2.963 1.00 0.00 H new ATOM 0 HA GLU A 64 15.146 -6.375 -2.156 1.00 0.00 H new ATOM 0 HB2 GLU A 64 15.788 -5.890 -4.523 1.00 0.00 H new ATOM 0 HB3 GLU A 64 15.951 -4.195 -4.111 1.00 0.00 H new ATOM 0 HG2 GLU A 64 18.063 -4.585 -3.393 1.00 0.00 H new ATOM 0 HG3 GLU A 64 17.432 -5.623 -2.131 1.00 0.00 H new ATOM 1009 N ARG A 65 15.250 -4.841 -0.243 1.00 0.00 N ATOM 1010 CA ARG A 65 15.454 -3.975 0.906 1.00 0.00 C ATOM 1011 C ARG A 65 14.405 -2.863 0.926 1.00 0.00 C ATOM 1012 O ARG A 65 13.680 -2.670 -0.049 1.00 0.00 O ATOM 1013 CB ARG A 65 16.850 -3.350 0.883 1.00 0.00 C ATOM 1014 CG ARG A 65 17.751 -3.979 1.947 1.00 0.00 C ATOM 1015 CD ARG A 65 18.720 -4.984 1.321 1.00 0.00 C ATOM 1016 NE ARG A 65 19.956 -4.293 0.889 1.00 0.00 N ATOM 1017 CZ ARG A 65 20.911 -4.861 0.140 1.00 0.00 C ATOM 1018 NH1 ARG A 65 20.778 -6.131 -0.265 1.00 0.00 N ATOM 1019 NH2 ARG A 65 21.998 -4.158 -0.205 1.00 0.00 N ATOM 0 H ARG A 65 15.130 -5.828 -0.017 1.00 0.00 H new ATOM 0 HA ARG A 65 15.357 -4.586 1.803 1.00 0.00 H new ATOM 0 HB2 ARG A 65 17.296 -3.485 -0.102 1.00 0.00 H new ATOM 0 HB3 ARG A 65 16.774 -2.276 1.054 1.00 0.00 H new ATOM 0 HG2 ARG A 65 18.313 -3.199 2.461 1.00 0.00 H new ATOM 0 HG3 ARG A 65 17.139 -4.478 2.698 1.00 0.00 H new ATOM 0 HD2 ARG A 65 18.963 -5.765 2.042 1.00 0.00 H new ATOM 0 HD3 ARG A 65 18.249 -5.473 0.468 1.00 0.00 H new ATOM 0 HE ARG A 65 20.089 -3.324 1.180 1.00 0.00 H new ATOM 0 HH11 ARG A 65 19.950 -6.666 -0.003 1.00 0.00 H new ATOM 0 HH12 ARG A 65 21.505 -6.563 -0.835 1.00 0.00 H new ATOM 0 HH21 ARG A 65 22.099 -3.191 0.102 1.00 0.00 H new ATOM 0 HH22 ARG A 65 22.725 -4.590 -0.775 1.00 0.00 H new ATOM 1033 N PRO A 66 14.354 -2.141 2.078 1.00 0.00 N ATOM 1034 CA PRO A 66 13.405 -1.052 2.238 1.00 0.00 C ATOM 1035 C PRO A 66 13.844 0.180 1.444 1.00 0.00 C ATOM 1036 O PRO A 66 14.248 1.186 2.026 1.00 0.00 O ATOM 1037 CB PRO A 66 13.342 -0.802 3.736 1.00 0.00 C ATOM 1038 CG PRO A 66 14.595 -1.437 4.318 1.00 0.00 C ATOM 1039 CD PRO A 66 15.196 -2.341 3.254 1.00 0.00 C ATOM 0 HA PRO A 66 12.417 -1.294 1.846 1.00 0.00 H new ATOM 0 HB2 PRO A 66 13.309 0.266 3.953 1.00 0.00 H new ATOM 0 HB3 PRO A 66 12.444 -1.243 4.168 1.00 0.00 H new ATOM 0 HG2 PRO A 66 15.310 -0.669 4.615 1.00 0.00 H new ATOM 0 HG3 PRO A 66 14.352 -2.010 5.213 1.00 0.00 H new ATOM 0 HD2 PRO A 66 16.233 -2.075 3.048 1.00 0.00 H new ATOM 0 HD3 PRO A 66 15.191 -3.384 3.572 1.00 0.00 H new ATOM 1047 N ILE A 67 13.751 0.060 0.128 1.00 0.00 N ATOM 1048 CA ILE A 67 14.134 1.152 -0.751 1.00 0.00 C ATOM 1049 C ILE A 67 13.234 1.144 -1.989 1.00 0.00 C ATOM 1050 O ILE A 67 12.720 2.185 -2.393 1.00 0.00 O ATOM 1051 CB ILE A 67 15.628 1.079 -1.077 1.00 0.00 C ATOM 1052 CG1 ILE A 67 16.021 -0.326 -1.536 1.00 0.00 C ATOM 1053 CG2 ILE A 67 16.471 1.551 0.110 1.00 0.00 C ATOM 1054 CD1 ILE A 67 16.039 -0.419 -3.063 1.00 0.00 C ATOM 0 H ILE A 67 13.416 -0.776 -0.351 1.00 0.00 H new ATOM 0 HA ILE A 67 13.986 2.111 -0.254 1.00 0.00 H new ATOM 0 HB ILE A 67 15.831 1.757 -1.906 1.00 0.00 H new ATOM 0 HG12 ILE A 67 17.005 -0.580 -1.141 1.00 0.00 H new ATOM 0 HG13 ILE A 67 15.318 -1.054 -1.132 1.00 0.00 H new ATOM 0 HG21 ILE A 67 17.528 1.489 -0.147 1.00 0.00 H new ATOM 0 HG22 ILE A 67 16.216 2.583 0.350 1.00 0.00 H new ATOM 0 HG23 ILE A 67 16.270 0.917 0.974 1.00 0.00 H new ATOM 0 HD11 ILE A 67 16.321 -1.428 -3.363 1.00 0.00 H new ATOM 0 HD12 ILE A 67 15.048 -0.189 -3.453 1.00 0.00 H new ATOM 0 HD13 ILE A 67 16.761 0.293 -3.462 1.00 0.00 H new ATOM 1066 N LYS A 68 13.072 -0.043 -2.555 1.00 0.00 N ATOM 1067 CA LYS A 68 12.243 -0.200 -3.739 1.00 0.00 C ATOM 1068 C LYS A 68 11.411 -1.477 -3.607 1.00 0.00 C ATOM 1069 O LYS A 68 11.961 -2.569 -3.469 1.00 0.00 O ATOM 1070 CB LYS A 68 13.102 -0.153 -5.004 1.00 0.00 C ATOM 1071 CG LYS A 68 12.291 -0.570 -6.233 1.00 0.00 C ATOM 1072 CD LYS A 68 12.259 0.549 -7.275 1.00 0.00 C ATOM 1073 CE LYS A 68 11.454 0.129 -8.506 1.00 0.00 C ATOM 1074 NZ LYS A 68 10.603 1.246 -8.974 1.00 0.00 N ATOM 0 H LYS A 68 13.500 -0.905 -2.216 1.00 0.00 H new ATOM 0 HA LYS A 68 11.542 0.630 -3.827 1.00 0.00 H new ATOM 0 HB2 LYS A 68 13.492 0.855 -5.146 1.00 0.00 H new ATOM 0 HB3 LYS A 68 13.961 -0.814 -4.889 1.00 0.00 H new ATOM 0 HG2 LYS A 68 12.725 -1.468 -6.672 1.00 0.00 H new ATOM 0 HG3 LYS A 68 11.274 -0.822 -5.933 1.00 0.00 H new ATOM 0 HD2 LYS A 68 11.820 1.446 -6.838 1.00 0.00 H new ATOM 0 HD3 LYS A 68 13.276 0.804 -7.571 1.00 0.00 H new ATOM 0 HE2 LYS A 68 12.131 -0.179 -9.303 1.00 0.00 H new ATOM 0 HE3 LYS A 68 10.832 -0.733 -8.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 10.063 0.944 -9.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 9.945 1.521 -8.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 11.203 2.058 -9.224 1.00 0.00 H new ATOM 1088 N LEU A 69 10.099 -1.298 -3.654 1.00 0.00 N ATOM 1089 CA LEU A 69 9.186 -2.423 -3.542 1.00 0.00 C ATOM 1090 C LEU A 69 7.934 -2.142 -4.375 1.00 0.00 C ATOM 1091 O LEU A 69 7.349 -1.064 -4.280 1.00 0.00 O ATOM 1092 CB LEU A 69 8.891 -2.729 -2.072 1.00 0.00 C ATOM 1093 CG LEU A 69 8.021 -3.959 -1.805 1.00 0.00 C ATOM 1094 CD1 LEU A 69 8.852 -5.242 -1.867 1.00 0.00 C ATOM 1095 CD2 LEU A 69 7.274 -3.823 -0.477 1.00 0.00 C ATOM 0 H LEU A 69 9.646 -0.391 -3.768 1.00 0.00 H new ATOM 0 HA LEU A 69 9.642 -3.327 -3.946 1.00 0.00 H new ATOM 0 HB2 LEU A 69 9.840 -2.859 -1.551 1.00 0.00 H new ATOM 0 HB3 LEU A 69 8.402 -1.860 -1.631 1.00 0.00 H new ATOM 0 HG LEU A 69 7.270 -4.024 -2.592 1.00 0.00 H new ATOM 0 HD11 LEU A 69 8.210 -6.101 -1.674 1.00 0.00 H new ATOM 0 HD12 LEU A 69 9.299 -5.338 -2.856 1.00 0.00 H new ATOM 0 HD13 LEU A 69 9.640 -5.202 -1.115 1.00 0.00 H new ATOM 0 HD21 LEU A 69 6.663 -4.710 -0.311 1.00 0.00 H new ATOM 0 HD22 LEU A 69 7.993 -3.720 0.336 1.00 0.00 H new ATOM 0 HD23 LEU A 69 6.633 -2.942 -0.509 1.00 0.00 H new ATOM 1107 N SER A 70 7.558 -3.131 -5.172 1.00 0.00 N ATOM 1108 CA SER A 70 6.386 -3.004 -6.021 1.00 0.00 C ATOM 1109 C SER A 70 5.722 -4.370 -6.205 1.00 0.00 C ATOM 1110 O SER A 70 6.374 -5.404 -6.070 1.00 0.00 O ATOM 1111 CB SER A 70 6.752 -2.405 -7.381 1.00 0.00 C ATOM 1112 OG SER A 70 5.665 -1.689 -7.959 1.00 0.00 O ATOM 0 H SER A 70 8.045 -4.024 -5.248 1.00 0.00 H new ATOM 0 HA SER A 70 5.684 -2.328 -5.534 1.00 0.00 H new ATOM 0 HB2 SER A 70 7.605 -1.737 -7.265 1.00 0.00 H new ATOM 0 HB3 SER A 70 7.061 -3.202 -8.057 1.00 0.00 H new ATOM 0 HG SER A 70 4.928 -1.638 -7.316 1.00 0.00 H new ATOM 1118 N PHE A 71 4.433 -4.330 -6.509 1.00 0.00 N ATOM 1119 CA PHE A 71 3.673 -5.552 -6.712 1.00 0.00 C ATOM 1120 C PHE A 71 2.435 -5.291 -7.571 1.00 0.00 C ATOM 1121 O PHE A 71 1.754 -4.282 -7.395 1.00 0.00 O ATOM 1122 CB PHE A 71 3.229 -6.037 -5.330 1.00 0.00 C ATOM 1123 CG PHE A 71 1.986 -5.325 -4.791 1.00 0.00 C ATOM 1124 CD1 PHE A 71 0.763 -5.598 -5.320 1.00 0.00 C ATOM 1125 CD2 PHE A 71 2.105 -4.420 -3.783 1.00 0.00 C ATOM 1126 CE1 PHE A 71 -0.390 -4.937 -4.819 1.00 0.00 C ATOM 1127 CE2 PHE A 71 0.952 -3.760 -3.283 1.00 0.00 C ATOM 1128 CZ PHE A 71 -0.271 -4.032 -3.811 1.00 0.00 C ATOM 0 H PHE A 71 3.895 -3.470 -6.620 1.00 0.00 H new ATOM 0 HA PHE A 71 4.288 -6.292 -7.225 1.00 0.00 H new ATOM 0 HB2 PHE A 71 3.030 -7.108 -5.379 1.00 0.00 H new ATOM 0 HB3 PHE A 71 4.049 -5.897 -4.626 1.00 0.00 H new ATOM 0 HD1 PHE A 71 0.669 -6.317 -6.120 1.00 0.00 H new ATOM 0 HD2 PHE A 71 3.076 -4.204 -3.363 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -1.361 -5.153 -5.239 1.00 0.00 H new ATOM 0 HE2 PHE A 71 1.046 -3.041 -2.482 1.00 0.00 H new ATOM 0 HZ PHE A 71 -1.148 -3.529 -3.430 1.00 0.00 H new ATOM 1138 N THR A 72 2.179 -6.220 -8.481 1.00 0.00 N ATOM 1139 CA THR A 72 1.034 -6.103 -9.368 1.00 0.00 C ATOM 1140 C THR A 72 -0.218 -6.674 -8.700 1.00 0.00 C ATOM 1141 O THR A 72 -0.124 -7.548 -7.840 1.00 0.00 O ATOM 1142 CB THR A 72 1.386 -6.792 -10.688 1.00 0.00 C ATOM 1143 OG1 THR A 72 1.604 -8.152 -10.322 1.00 0.00 O ATOM 1144 CG2 THR A 72 2.736 -6.335 -11.245 1.00 0.00 C ATOM 0 H THR A 72 2.745 -7.057 -8.623 1.00 0.00 H new ATOM 0 HA THR A 72 0.804 -5.059 -9.581 1.00 0.00 H new ATOM 0 HB THR A 72 0.605 -6.593 -11.421 1.00 0.00 H new ATOM 0 HG1 THR A 72 2.362 -8.207 -9.703 1.00 0.00 H new ATOM 0 HG21 THR A 72 2.938 -6.854 -12.182 1.00 0.00 H new ATOM 0 HG22 THR A 72 2.711 -5.260 -11.424 1.00 0.00 H new ATOM 0 HG23 THR A 72 3.523 -6.565 -10.526 1.00 0.00 H new ATOM 1152 N TRP A 73 -1.363 -6.155 -9.120 1.00 0.00 N ATOM 1153 CA TRP A 73 -2.632 -6.602 -8.573 1.00 0.00 C ATOM 1154 C TRP A 73 -3.485 -7.130 -9.728 1.00 0.00 C ATOM 1155 O TRP A 73 -3.669 -6.445 -10.733 1.00 0.00 O ATOM 1156 CB TRP A 73 -3.317 -5.480 -7.789 1.00 0.00 C ATOM 1157 CG TRP A 73 -4.306 -5.974 -6.732 1.00 0.00 C ATOM 1158 CD1 TRP A 73 -4.991 -7.126 -6.716 1.00 0.00 C ATOM 1159 CD2 TRP A 73 -4.696 -5.279 -5.528 1.00 0.00 C ATOM 1160 NE1 TRP A 73 -5.791 -7.224 -5.596 1.00 0.00 N ATOM 1161 CE2 TRP A 73 -5.605 -6.065 -4.850 1.00 0.00 C ATOM 1162 CE3 TRP A 73 -4.293 -4.028 -5.029 1.00 0.00 C ATOM 1163 CZ2 TRP A 73 -6.189 -5.688 -3.635 1.00 0.00 C ATOM 1164 CZ3 TRP A 73 -4.886 -3.666 -3.813 1.00 0.00 C ATOM 1165 CH2 TRP A 73 -5.803 -4.446 -3.118 1.00 0.00 C ATOM 0 H TRP A 73 -1.438 -5.429 -9.833 1.00 0.00 H new ATOM 0 HA TRP A 73 -2.480 -7.408 -7.855 1.00 0.00 H new ATOM 0 HB2 TRP A 73 -2.554 -4.873 -7.302 1.00 0.00 H new ATOM 0 HB3 TRP A 73 -3.843 -4.830 -8.489 1.00 0.00 H new ATOM 0 HD1 TRP A 73 -4.925 -7.883 -7.484 1.00 0.00 H new ATOM 0 HE1 TRP A 73 -6.405 -8.003 -5.359 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -3.583 -3.397 -5.542 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 -6.899 -6.321 -3.124 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -4.611 -2.713 -3.385 1.00 0.00 H new ATOM 0 HH2 TRP A 73 -6.216 -4.095 -2.184 1.00 0.00 H new ATOM 1176 N ASP A 74 -3.984 -8.344 -9.546 1.00 0.00 N ATOM 1177 CA ASP A 74 -4.813 -8.972 -10.561 1.00 0.00 C ATOM 1178 C ASP A 74 -3.972 -9.230 -11.813 1.00 0.00 C ATOM 1179 O ASP A 74 -2.836 -8.767 -11.908 1.00 0.00 O ATOM 1180 CB ASP A 74 -5.982 -8.068 -10.955 1.00 0.00 C ATOM 1181 CG ASP A 74 -6.466 -7.121 -9.854 1.00 0.00 C ATOM 1182 OD1 ASP A 74 -7.319 -7.566 -9.057 1.00 0.00 O ATOM 1183 OD2 ASP A 74 -5.971 -5.973 -9.836 1.00 0.00 O ATOM 0 H ASP A 74 -3.830 -8.909 -8.711 1.00 0.00 H new ATOM 0 HA ASP A 74 -5.201 -9.904 -10.150 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -5.687 -7.475 -11.820 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -6.817 -8.695 -11.268 1.00 0.00 H new ATOM 1188 N THR A 75 -4.562 -9.968 -12.742 1.00 0.00 N ATOM 1189 CA THR A 75 -3.881 -10.292 -13.984 1.00 0.00 C ATOM 1190 C THR A 75 -3.250 -9.037 -14.590 1.00 0.00 C ATOM 1191 O THR A 75 -2.116 -9.075 -15.065 1.00 0.00 O ATOM 1192 CB THR A 75 -4.889 -10.974 -14.911 1.00 0.00 C ATOM 1193 OG1 THR A 75 -5.866 -9.967 -15.162 1.00 0.00 O ATOM 1194 CG2 THR A 75 -5.671 -12.086 -14.210 1.00 0.00 C ATOM 0 H THR A 75 -5.504 -10.351 -12.659 1.00 0.00 H new ATOM 0 HA THR A 75 -3.055 -10.982 -13.814 1.00 0.00 H new ATOM 0 HB THR A 75 -4.367 -11.387 -15.774 1.00 0.00 H new ATOM 0 HG1 THR A 75 -6.558 -10.324 -15.757 1.00 0.00 H new ATOM 0 HG21 THR A 75 -6.372 -12.536 -14.913 1.00 0.00 H new ATOM 0 HG22 THR A 75 -4.978 -12.847 -13.850 1.00 0.00 H new ATOM 0 HG23 THR A 75 -6.221 -11.668 -13.367 1.00 0.00 H new ATOM 1202 N ASP A 76 -4.013 -7.954 -14.554 1.00 0.00 N ATOM 1203 CA ASP A 76 -3.542 -6.689 -15.093 1.00 0.00 C ATOM 1204 C ASP A 76 -4.612 -5.618 -14.876 1.00 0.00 C ATOM 1205 O ASP A 76 -5.704 -5.702 -15.438 1.00 0.00 O ATOM 1206 CB ASP A 76 -3.279 -6.796 -16.597 1.00 0.00 C ATOM 1207 CG ASP A 76 -2.534 -5.608 -17.209 1.00 0.00 C ATOM 1208 OD1 ASP A 76 -1.670 -5.052 -16.497 1.00 0.00 O ATOM 1209 OD2 ASP A 76 -2.845 -5.282 -18.375 1.00 0.00 O ATOM 0 H ASP A 76 -4.954 -7.926 -14.160 1.00 0.00 H new ATOM 0 HA ASP A 76 -2.615 -6.428 -14.582 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -2.704 -7.703 -16.787 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -4.234 -6.910 -17.110 1.00 0.00 H new ATOM 1214 N GLY A 77 -4.263 -4.634 -14.059 1.00 0.00 N ATOM 1215 CA GLY A 77 -5.179 -3.547 -13.761 1.00 0.00 C ATOM 1216 C GLY A 77 -4.431 -2.339 -13.195 1.00 0.00 C ATOM 1217 O GLY A 77 -3.934 -1.504 -13.948 1.00 0.00 O ATOM 0 H GLY A 77 -3.357 -4.568 -13.594 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -5.712 -3.257 -14.667 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -5.928 -3.884 -13.044 1.00 0.00 H new ATOM 1221 N TRP A 78 -4.375 -2.284 -11.872 1.00 0.00 N ATOM 1222 CA TRP A 78 -3.696 -1.192 -11.196 1.00 0.00 C ATOM 1223 C TRP A 78 -2.411 -1.745 -10.578 1.00 0.00 C ATOM 1224 O TRP A 78 -2.295 -2.948 -10.350 1.00 0.00 O ATOM 1225 CB TRP A 78 -4.615 -0.526 -10.170 1.00 0.00 C ATOM 1226 CG TRP A 78 -6.056 -0.343 -10.651 1.00 0.00 C ATOM 1227 CD1 TRP A 78 -6.506 -0.307 -11.913 1.00 0.00 C ATOM 1228 CD2 TRP A 78 -7.225 -0.172 -9.822 1.00 0.00 C ATOM 1229 NE1 TRP A 78 -7.874 -0.126 -11.957 1.00 0.00 N ATOM 1230 CE2 TRP A 78 -8.324 -0.041 -10.645 1.00 0.00 C ATOM 1231 CE3 TRP A 78 -7.348 -0.129 -8.422 1.00 0.00 C ATOM 1232 CZ2 TRP A 78 -9.626 0.141 -10.162 1.00 0.00 C ATOM 1233 CZ3 TRP A 78 -8.655 0.054 -7.955 1.00 0.00 C ATOM 1234 CH2 TRP A 78 -9.773 0.187 -8.771 1.00 0.00 C ATOM 0 H TRP A 78 -4.789 -2.979 -11.250 1.00 0.00 H new ATOM 0 HA TRP A 78 -3.432 -0.406 -11.903 1.00 0.00 H new ATOM 0 HB2 TRP A 78 -4.620 -1.125 -9.259 1.00 0.00 H new ATOM 0 HB3 TRP A 78 -4.204 0.449 -9.908 1.00 0.00 H new ATOM 0 HD1 TRP A 78 -5.878 -0.407 -12.786 1.00 0.00 H new ATOM 0 HE1 TRP A 78 -8.449 -0.066 -12.798 1.00 0.00 H new ATOM 0 HE3 TRP A 78 -6.501 -0.229 -7.759 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 -10.471 0.240 -10.827 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 -8.805 0.095 -6.886 1.00 0.00 H new ATOM 0 HH2 TRP A 78 -10.751 0.325 -8.333 1.00 0.00 H new ATOM 1245 N SER A 79 -1.478 -0.840 -10.323 1.00 0.00 N ATOM 1246 CA SER A 79 -0.205 -1.222 -9.735 1.00 0.00 C ATOM 1247 C SER A 79 0.222 -0.186 -8.693 1.00 0.00 C ATOM 1248 O SER A 79 0.038 1.014 -8.894 1.00 0.00 O ATOM 1249 CB SER A 79 0.875 -1.373 -10.808 1.00 0.00 C ATOM 1250 OG SER A 79 0.494 -0.762 -12.038 1.00 0.00 O ATOM 0 H SER A 79 -1.578 0.157 -10.513 1.00 0.00 H new ATOM 0 HA SER A 79 -0.330 -2.188 -9.247 1.00 0.00 H new ATOM 0 HB2 SER A 79 1.804 -0.926 -10.453 1.00 0.00 H new ATOM 0 HB3 SER A 79 1.074 -2.431 -10.975 1.00 0.00 H new ATOM 0 HG SER A 79 1.210 -0.878 -12.697 1.00 0.00 H new ATOM 1256 N VAL A 80 0.786 -0.687 -7.604 1.00 0.00 N ATOM 1257 CA VAL A 80 1.242 0.181 -6.531 1.00 0.00 C ATOM 1258 C VAL A 80 2.723 -0.087 -6.259 1.00 0.00 C ATOM 1259 O VAL A 80 3.177 -1.227 -6.341 1.00 0.00 O ATOM 1260 CB VAL A 80 0.362 -0.012 -5.293 1.00 0.00 C ATOM 1261 CG1 VAL A 80 0.042 -1.492 -5.074 1.00 0.00 C ATOM 1262 CG2 VAL A 80 1.020 0.597 -4.054 1.00 0.00 C ATOM 0 H VAL A 80 0.938 -1.682 -7.441 1.00 0.00 H new ATOM 0 HA VAL A 80 1.149 1.228 -6.820 1.00 0.00 H new ATOM 0 HB VAL A 80 -0.579 0.512 -5.464 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -0.584 -1.602 -4.189 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -0.487 -1.882 -5.943 1.00 0.00 H new ATOM 0 HG13 VAL A 80 0.969 -2.048 -4.934 1.00 0.00 H new ATOM 0 HG21 VAL A 80 0.375 0.447 -3.188 1.00 0.00 H new ATOM 0 HG22 VAL A 80 1.981 0.114 -3.878 1.00 0.00 H new ATOM 0 HG23 VAL A 80 1.173 1.665 -4.211 1.00 0.00 H new ATOM 1272 N THR A 81 3.436 0.984 -5.940 1.00 0.00 N ATOM 1273 CA THR A 81 4.857 0.879 -5.655 1.00 0.00 C ATOM 1274 C THR A 81 5.186 1.558 -4.324 1.00 0.00 C ATOM 1275 O THR A 81 4.769 2.690 -4.081 1.00 0.00 O ATOM 1276 CB THR A 81 5.622 1.467 -6.843 1.00 0.00 C ATOM 1277 OG1 THR A 81 5.057 0.815 -7.977 1.00 0.00 O ATOM 1278 CG2 THR A 81 7.091 1.042 -6.861 1.00 0.00 C ATOM 0 H THR A 81 3.056 1.928 -5.873 1.00 0.00 H new ATOM 0 HA THR A 81 5.161 -0.161 -5.537 1.00 0.00 H new ATOM 0 HB THR A 81 5.560 2.555 -6.813 1.00 0.00 H new ATOM 0 HG1 THR A 81 5.469 -0.067 -8.086 1.00 0.00 H new ATOM 0 HG21 THR A 81 7.588 1.486 -7.723 1.00 0.00 H new ATOM 0 HG22 THR A 81 7.579 1.381 -5.947 1.00 0.00 H new ATOM 0 HG23 THR A 81 7.155 -0.044 -6.925 1.00 0.00 H new ATOM 1286 N PHE A 82 5.930 0.839 -3.497 1.00 0.00 N ATOM 1287 CA PHE A 82 6.319 1.357 -2.197 1.00 0.00 C ATOM 1288 C PHE A 82 7.767 1.851 -2.215 1.00 0.00 C ATOM 1289 O PHE A 82 8.584 1.361 -2.992 1.00 0.00 O ATOM 1290 CB PHE A 82 6.199 0.203 -1.200 1.00 0.00 C ATOM 1291 CG PHE A 82 4.757 -0.206 -0.892 1.00 0.00 C ATOM 1292 CD1 PHE A 82 3.877 0.714 -0.414 1.00 0.00 C ATOM 1293 CD2 PHE A 82 4.356 -1.489 -1.096 1.00 0.00 C ATOM 1294 CE1 PHE A 82 2.538 0.335 -0.129 1.00 0.00 C ATOM 1295 CE2 PHE A 82 3.017 -1.869 -0.811 1.00 0.00 C ATOM 1296 CZ PHE A 82 2.137 -0.949 -0.333 1.00 0.00 C ATOM 0 H PHE A 82 6.274 -0.099 -3.702 1.00 0.00 H new ATOM 0 HA PHE A 82 5.680 2.197 -1.925 1.00 0.00 H new ATOM 0 HB2 PHE A 82 6.735 -0.661 -1.594 1.00 0.00 H new ATOM 0 HB3 PHE A 82 6.692 0.487 -0.270 1.00 0.00 H new ATOM 0 HD1 PHE A 82 4.196 1.733 -0.251 1.00 0.00 H new ATOM 0 HD2 PHE A 82 5.056 -2.219 -1.475 1.00 0.00 H new ATOM 0 HE1 PHE A 82 1.839 1.066 0.249 1.00 0.00 H new ATOM 0 HE2 PHE A 82 2.698 -2.888 -0.974 1.00 0.00 H new ATOM 0 HZ PHE A 82 1.119 -1.238 -0.115 1.00 0.00 H new ATOM 1306 N HIS A 83 8.040 2.816 -1.349 1.00 0.00 N ATOM 1307 CA HIS A 83 9.375 3.382 -1.256 1.00 0.00 C ATOM 1308 C HIS A 83 9.677 3.747 0.199 1.00 0.00 C ATOM 1309 O HIS A 83 9.059 4.653 0.757 1.00 0.00 O ATOM 1310 CB HIS A 83 9.531 4.568 -2.209 1.00 0.00 C ATOM 1311 CG HIS A 83 9.635 4.177 -3.664 1.00 0.00 C ATOM 1312 ND1 HIS A 83 10.843 4.105 -4.336 1.00 0.00 N ATOM 1313 CD2 HIS A 83 8.671 3.837 -4.567 1.00 0.00 C ATOM 1314 CE1 HIS A 83 10.604 3.738 -5.587 1.00 0.00 C ATOM 1315 NE2 HIS A 83 9.258 3.573 -5.728 1.00 0.00 N ATOM 0 H HIS A 83 7.359 3.220 -0.706 1.00 0.00 H new ATOM 0 HA HIS A 83 10.110 2.641 -1.569 1.00 0.00 H new ATOM 0 HB2 HIS A 83 8.679 5.237 -2.083 1.00 0.00 H new ATOM 0 HB3 HIS A 83 10.422 5.130 -1.930 1.00 0.00 H new ATOM 0 HD2 HIS A 83 7.610 3.790 -4.371 1.00 0.00 H new ATOM 0 HE1 HIS A 83 11.345 3.595 -6.359 1.00 0.00 H new ATOM 0 HE2 HIS A 83 8.781 3.293 -6.585 1.00 0.00 H new ATOM 1323 N LEU A 84 10.628 3.023 0.772 1.00 0.00 N ATOM 1324 CA LEU A 84 11.019 3.260 2.151 1.00 0.00 C ATOM 1325 C LEU A 84 12.386 3.948 2.178 1.00 0.00 C ATOM 1326 O LEU A 84 13.159 3.836 1.229 1.00 0.00 O ATOM 1327 CB LEU A 84 10.971 1.957 2.953 1.00 0.00 C ATOM 1328 CG LEU A 84 9.586 1.330 3.130 1.00 0.00 C ATOM 1329 CD1 LEU A 84 9.352 0.221 2.102 1.00 0.00 C ATOM 1330 CD2 LEU A 84 9.388 0.834 4.563 1.00 0.00 C ATOM 0 H LEU A 84 11.139 2.273 0.306 1.00 0.00 H new ATOM 0 HA LEU A 84 10.313 3.933 2.637 1.00 0.00 H new ATOM 0 HB2 LEU A 84 11.618 1.229 2.464 1.00 0.00 H new ATOM 0 HB3 LEU A 84 11.392 2.146 3.941 1.00 0.00 H new ATOM 0 HG LEU A 84 8.836 2.100 2.950 1.00 0.00 H new ATOM 0 HD11 LEU A 84 8.361 -0.208 2.249 1.00 0.00 H new ATOM 0 HD12 LEU A 84 9.422 0.636 1.097 1.00 0.00 H new ATOM 0 HD13 LEU A 84 10.106 -0.556 2.227 1.00 0.00 H new ATOM 0 HD21 LEU A 84 8.396 0.393 4.662 1.00 0.00 H new ATOM 0 HD22 LEU A 84 10.143 0.084 4.796 1.00 0.00 H new ATOM 0 HD23 LEU A 84 9.483 1.671 5.254 1.00 0.00 H new ATOM 1342 N LYS A 85 12.641 4.643 3.277 1.00 0.00 N ATOM 1343 CA LYS A 85 13.900 5.349 3.440 1.00 0.00 C ATOM 1344 C LYS A 85 14.042 5.801 4.895 1.00 0.00 C ATOM 1345 O LYS A 85 13.290 6.656 5.359 1.00 0.00 O ATOM 1346 CB LYS A 85 14.009 6.492 2.428 1.00 0.00 C ATOM 1347 CG LYS A 85 12.779 7.399 2.491 1.00 0.00 C ATOM 1348 CD LYS A 85 12.496 8.035 1.128 1.00 0.00 C ATOM 1349 CE LYS A 85 12.863 9.520 1.130 1.00 0.00 C ATOM 1350 NZ LYS A 85 12.043 10.258 0.143 1.00 0.00 N ATOM 0 H LYS A 85 11.997 4.732 4.063 1.00 0.00 H new ATOM 0 HA LYS A 85 14.738 4.685 3.228 1.00 0.00 H new ATOM 0 HB2 LYS A 85 14.907 7.076 2.629 1.00 0.00 H new ATOM 0 HB3 LYS A 85 14.113 6.084 1.423 1.00 0.00 H new ATOM 0 HG2 LYS A 85 11.913 6.821 2.814 1.00 0.00 H new ATOM 0 HG3 LYS A 85 12.936 8.180 3.235 1.00 0.00 H new ATOM 0 HD2 LYS A 85 13.065 7.517 0.356 1.00 0.00 H new ATOM 0 HD3 LYS A 85 11.441 7.918 0.880 1.00 0.00 H new ATOM 0 HE2 LYS A 85 12.708 9.938 2.125 1.00 0.00 H new ATOM 0 HE3 LYS A 85 13.921 9.640 0.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 12.305 11.264 0.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 12.211 9.870 -0.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 11.036 10.159 0.385 1.00 0.00 H new ATOM 1364 N GLU A 86 15.012 5.206 5.573 1.00 0.00 N ATOM 1365 CA GLU A 86 15.263 5.536 6.966 1.00 0.00 C ATOM 1366 C GLU A 86 15.767 6.975 7.088 1.00 0.00 C ATOM 1367 O GLU A 86 16.657 7.390 6.347 1.00 0.00 O ATOM 1368 CB GLU A 86 16.253 4.553 7.593 1.00 0.00 C ATOM 1369 CG GLU A 86 15.858 4.221 9.034 1.00 0.00 C ATOM 1370 CD GLU A 86 16.740 4.976 10.031 1.00 0.00 C ATOM 1371 OE1 GLU A 86 17.214 6.070 9.656 1.00 0.00 O ATOM 1372 OE2 GLU A 86 16.919 4.442 11.147 1.00 0.00 O ATOM 0 H GLU A 86 15.634 4.497 5.184 1.00 0.00 H new ATOM 0 HA GLU A 86 14.324 5.453 7.513 1.00 0.00 H new ATOM 0 HB2 GLU A 86 16.287 3.638 7.001 1.00 0.00 H new ATOM 0 HB3 GLU A 86 17.256 4.981 7.576 1.00 0.00 H new ATOM 0 HG2 GLU A 86 14.812 4.482 9.198 1.00 0.00 H new ATOM 0 HG3 GLU A 86 15.949 3.148 9.202 1.00 0.00 H new ATOM 1379 N GLU A 87 15.176 7.698 8.028 1.00 0.00 N ATOM 1380 CA GLU A 87 15.555 9.082 8.257 1.00 0.00 C ATOM 1381 C GLU A 87 15.968 9.286 9.715 1.00 0.00 C ATOM 1382 O GLU A 87 15.976 8.338 10.500 1.00 0.00 O ATOM 1383 CB GLU A 87 14.419 10.032 7.871 1.00 0.00 C ATOM 1384 CG GLU A 87 14.772 10.828 6.613 1.00 0.00 C ATOM 1385 CD GLU A 87 15.620 12.054 6.959 1.00 0.00 C ATOM 1386 OE1 GLU A 87 15.090 12.924 7.684 1.00 0.00 O ATOM 1387 OE2 GLU A 87 16.778 12.093 6.492 1.00 0.00 O ATOM 0 H GLU A 87 14.437 7.351 8.640 1.00 0.00 H new ATOM 0 HA GLU A 87 16.411 9.313 7.622 1.00 0.00 H new ATOM 0 HB2 GLU A 87 13.506 9.462 7.700 1.00 0.00 H new ATOM 0 HB3 GLU A 87 14.218 10.717 8.694 1.00 0.00 H new ATOM 0 HG2 GLU A 87 15.316 10.191 5.916 1.00 0.00 H new ATOM 0 HG3 GLU A 87 13.858 11.144 6.110 1.00 0.00 H new ATOM 1394 N GLU A 88 16.303 10.527 10.035 1.00 0.00 N ATOM 1395 CA GLU A 88 16.717 10.867 11.386 1.00 0.00 C ATOM 1396 C GLU A 88 15.544 10.710 12.355 1.00 0.00 C ATOM 1397 O GLU A 88 15.625 9.944 13.314 1.00 0.00 O ATOM 1398 CB GLU A 88 17.289 12.285 11.443 1.00 0.00 C ATOM 1399 CG GLU A 88 18.782 12.287 11.108 1.00 0.00 C ATOM 1400 CD GLU A 88 19.619 12.663 12.332 1.00 0.00 C ATOM 1401 OE1 GLU A 88 19.414 13.788 12.836 1.00 0.00 O ATOM 1402 OE2 GLU A 88 20.445 11.817 12.737 1.00 0.00 O ATOM 0 H GLU A 88 16.296 11.310 9.382 1.00 0.00 H new ATOM 0 HA GLU A 88 17.507 10.179 11.688 1.00 0.00 H new ATOM 0 HB2 GLU A 88 16.754 12.925 10.741 1.00 0.00 H new ATOM 0 HB3 GLU A 88 17.135 12.704 12.438 1.00 0.00 H new ATOM 0 HG2 GLU A 88 19.079 11.302 10.749 1.00 0.00 H new ATOM 0 HG3 GLU A 88 18.976 12.992 10.300 1.00 0.00 H new ATOM 1409 N ASN A 89 14.480 11.447 12.072 1.00 0.00 N ATOM 1410 CA ASN A 89 13.292 11.399 12.908 1.00 0.00 C ATOM 1411 C ASN A 89 12.868 9.942 13.100 1.00 0.00 C ATOM 1412 O ASN A 89 12.522 9.533 14.207 1.00 0.00 O ATOM 1413 CB ASN A 89 12.129 12.148 12.254 1.00 0.00 C ATOM 1414 CG ASN A 89 12.559 13.547 11.809 1.00 0.00 C ATOM 1415 OD1 ASN A 89 13.190 13.733 10.781 1.00 0.00 O ATOM 1416 ND2 ASN A 89 12.182 14.518 12.636 1.00 0.00 N ATOM 0 H ASN A 89 14.416 12.081 11.275 1.00 0.00 H new ATOM 0 HA ASN A 89 13.531 11.867 13.863 1.00 0.00 H new ATOM 0 HB2 ASN A 89 11.766 11.584 11.394 1.00 0.00 H new ATOM 0 HB3 ASN A 89 11.300 12.225 12.957 1.00 0.00 H new ATOM 0 HD21 ASN A 89 12.419 15.488 12.426 1.00 0.00 H new ATOM 0 HD22 ASN A 89 11.655 14.293 13.480 1.00 0.00 H new ATOM 1423 N GLY A 90 12.908 9.198 12.004 1.00 0.00 N ATOM 1424 CA GLY A 90 12.532 7.795 12.038 1.00 0.00 C ATOM 1425 C GLY A 90 12.585 7.178 10.639 1.00 0.00 C ATOM 1426 O GLY A 90 13.585 7.315 9.935 1.00 0.00 O ATOM 0 H GLY A 90 13.195 9.541 11.087 1.00 0.00 H new ATOM 0 HA2 GLY A 90 13.202 7.252 12.704 1.00 0.00 H new ATOM 0 HA3 GLY A 90 11.526 7.694 12.446 1.00 0.00 H new ATOM 1430 N THR A 91 11.498 6.514 10.278 1.00 0.00 N ATOM 1431 CA THR A 91 11.408 5.876 8.975 1.00 0.00 C ATOM 1432 C THR A 91 10.400 6.612 8.090 1.00 0.00 C ATOM 1433 O THR A 91 9.391 7.117 8.579 1.00 0.00 O ATOM 1434 CB THR A 91 11.063 4.402 9.194 1.00 0.00 C ATOM 1435 OG1 THR A 91 12.246 3.849 9.763 1.00 0.00 O ATOM 1436 CG2 THR A 91 10.891 3.640 7.878 1.00 0.00 C ATOM 0 H THR A 91 10.671 6.403 10.865 1.00 0.00 H new ATOM 0 HA THR A 91 12.358 5.926 8.442 1.00 0.00 H new ATOM 0 HB THR A 91 10.147 4.327 9.780 1.00 0.00 H new ATOM 0 HG1 THR A 91 12.044 3.487 10.651 1.00 0.00 H new ATOM 0 HG21 THR A 91 10.647 2.599 8.090 1.00 0.00 H new ATOM 0 HG22 THR A 91 10.085 4.091 7.299 1.00 0.00 H new ATOM 0 HG23 THR A 91 11.818 3.687 7.307 1.00 0.00 H new ATOM 1444 N ILE A 92 10.709 6.649 6.802 1.00 0.00 N ATOM 1445 CA ILE A 92 9.842 7.314 5.844 1.00 0.00 C ATOM 1446 C ILE A 92 9.138 6.263 4.984 1.00 0.00 C ATOM 1447 O ILE A 92 9.762 5.304 4.534 1.00 0.00 O ATOM 1448 CB ILE A 92 10.632 8.343 5.032 1.00 0.00 C ATOM 1449 CG1 ILE A 92 11.304 9.366 5.950 1.00 0.00 C ATOM 1450 CG2 ILE A 92 9.743 9.012 3.982 1.00 0.00 C ATOM 1451 CD1 ILE A 92 10.278 10.343 6.527 1.00 0.00 C ATOM 0 H ILE A 92 11.547 6.230 6.400 1.00 0.00 H new ATOM 0 HA ILE A 92 9.064 7.877 6.361 1.00 0.00 H new ATOM 0 HB ILE A 92 11.425 7.821 4.497 1.00 0.00 H new ATOM 0 HG12 ILE A 92 11.816 8.850 6.762 1.00 0.00 H new ATOM 0 HG13 ILE A 92 12.062 9.916 5.393 1.00 0.00 H new ATOM 0 HG21 ILE A 92 10.329 9.739 3.419 1.00 0.00 H new ATOM 0 HG22 ILE A 92 9.352 8.256 3.301 1.00 0.00 H new ATOM 0 HG23 ILE A 92 8.914 9.519 4.476 1.00 0.00 H new ATOM 0 HD11 ILE A 92 10.782 11.059 7.176 1.00 0.00 H new ATOM 0 HD12 ILE A 92 9.785 10.875 5.714 1.00 0.00 H new ATOM 0 HD13 ILE A 92 9.535 9.792 7.103 1.00 0.00 H new ATOM 1463 N PHE A 93 7.846 6.479 4.783 1.00 0.00 N ATOM 1464 CA PHE A 93 7.049 5.562 3.986 1.00 0.00 C ATOM 1465 C PHE A 93 6.323 6.302 2.861 1.00 0.00 C ATOM 1466 O PHE A 93 5.490 7.169 3.121 1.00 0.00 O ATOM 1467 CB PHE A 93 6.013 4.938 4.923 1.00 0.00 C ATOM 1468 CG PHE A 93 5.298 3.719 4.337 1.00 0.00 C ATOM 1469 CD1 PHE A 93 4.505 3.857 3.240 1.00 0.00 C ATOM 1470 CD2 PHE A 93 5.456 2.497 4.912 1.00 0.00 C ATOM 1471 CE1 PHE A 93 3.842 2.726 2.697 1.00 0.00 C ATOM 1472 CE2 PHE A 93 4.792 1.365 4.369 1.00 0.00 C ATOM 1473 CZ PHE A 93 3.999 1.504 3.272 1.00 0.00 C ATOM 0 H PHE A 93 7.331 7.276 5.158 1.00 0.00 H new ATOM 0 HA PHE A 93 7.692 4.808 3.532 1.00 0.00 H new ATOM 0 HB2 PHE A 93 6.506 4.646 5.850 1.00 0.00 H new ATOM 0 HB3 PHE A 93 5.270 5.693 5.181 1.00 0.00 H new ATOM 0 HD1 PHE A 93 4.380 4.827 2.783 1.00 0.00 H new ATOM 0 HD2 PHE A 93 6.087 2.387 5.782 1.00 0.00 H new ATOM 0 HE1 PHE A 93 3.212 2.836 1.826 1.00 0.00 H new ATOM 0 HE2 PHE A 93 4.916 0.395 4.826 1.00 0.00 H new ATOM 0 HZ PHE A 93 3.494 0.644 2.858 1.00 0.00 H new ATOM 1483 N THR A 94 6.664 5.933 1.635 1.00 0.00 N ATOM 1484 CA THR A 94 6.055 6.551 0.470 1.00 0.00 C ATOM 1485 C THR A 94 5.165 5.546 -0.263 1.00 0.00 C ATOM 1486 O THR A 94 5.484 4.359 -0.324 1.00 0.00 O ATOM 1487 CB THR A 94 7.174 7.122 -0.402 1.00 0.00 C ATOM 1488 OG1 THR A 94 7.594 8.293 0.293 1.00 0.00 O ATOM 1489 CG2 THR A 94 6.660 7.650 -1.743 1.00 0.00 C ATOM 0 H THR A 94 7.355 5.213 1.423 1.00 0.00 H new ATOM 0 HA THR A 94 5.397 7.371 0.756 1.00 0.00 H new ATOM 0 HB THR A 94 7.925 6.352 -0.578 1.00 0.00 H new ATOM 0 HG1 THR A 94 8.320 8.725 -0.203 1.00 0.00 H new ATOM 0 HG21 THR A 94 7.495 8.044 -2.323 1.00 0.00 H new ATOM 0 HG22 THR A 94 6.185 6.839 -2.295 1.00 0.00 H new ATOM 0 HG23 THR A 94 5.934 8.444 -1.567 1.00 0.00 H new ATOM 1497 N ILE A 95 4.068 6.057 -0.802 1.00 0.00 N ATOM 1498 CA ILE A 95 3.130 5.218 -1.529 1.00 0.00 C ATOM 1499 C ILE A 95 2.885 5.818 -2.915 1.00 0.00 C ATOM 1500 O ILE A 95 2.864 7.038 -3.072 1.00 0.00 O ATOM 1501 CB ILE A 95 1.853 5.011 -0.713 1.00 0.00 C ATOM 1502 CG1 ILE A 95 0.709 4.519 -1.601 1.00 0.00 C ATOM 1503 CG2 ILE A 95 1.479 6.282 0.052 1.00 0.00 C ATOM 1504 CD1 ILE A 95 1.067 3.191 -2.272 1.00 0.00 C ATOM 0 H ILE A 95 3.807 7.042 -0.750 1.00 0.00 H new ATOM 0 HA ILE A 95 3.547 4.223 -1.682 1.00 0.00 H new ATOM 0 HB ILE A 95 2.043 4.234 0.027 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -0.194 4.396 -1.002 1.00 0.00 H new ATOM 0 HG13 ILE A 95 0.487 5.267 -2.362 1.00 0.00 H new ATOM 0 HG21 ILE A 95 0.568 6.108 0.624 1.00 0.00 H new ATOM 0 HG22 ILE A 95 2.288 6.549 0.732 1.00 0.00 H new ATOM 0 HG23 ILE A 95 1.314 7.096 -0.654 1.00 0.00 H new ATOM 0 HD11 ILE A 95 0.236 2.864 -2.897 1.00 0.00 H new ATOM 0 HD12 ILE A 95 1.956 3.323 -2.889 1.00 0.00 H new ATOM 0 HD13 ILE A 95 1.264 2.439 -1.508 1.00 0.00 H new ATOM 1516 N VAL A 96 2.704 4.933 -3.884 1.00 0.00 N ATOM 1517 CA VAL A 96 2.461 5.361 -5.251 1.00 0.00 C ATOM 1518 C VAL A 96 1.538 4.352 -5.939 1.00 0.00 C ATOM 1519 O VAL A 96 1.962 3.247 -6.276 1.00 0.00 O ATOM 1520 CB VAL A 96 3.790 5.552 -5.985 1.00 0.00 C ATOM 1521 CG1 VAL A 96 3.568 6.160 -7.371 1.00 0.00 C ATOM 1522 CG2 VAL A 96 4.753 6.407 -5.159 1.00 0.00 C ATOM 0 H VAL A 96 2.721 3.922 -3.750 1.00 0.00 H new ATOM 0 HA VAL A 96 1.957 6.327 -5.265 1.00 0.00 H new ATOM 0 HB VAL A 96 4.244 4.570 -6.119 1.00 0.00 H new ATOM 0 HG11 VAL A 96 4.528 6.285 -7.871 1.00 0.00 H new ATOM 0 HG12 VAL A 96 2.935 5.498 -7.962 1.00 0.00 H new ATOM 0 HG13 VAL A 96 3.083 7.131 -7.269 1.00 0.00 H new ATOM 0 HG21 VAL A 96 5.690 6.528 -5.703 1.00 0.00 H new ATOM 0 HG22 VAL A 96 4.308 7.386 -4.980 1.00 0.00 H new ATOM 0 HG23 VAL A 96 4.948 5.917 -4.205 1.00 0.00 H new ATOM 1532 N HIS A 97 0.295 4.769 -6.128 1.00 0.00 N ATOM 1533 CA HIS A 97 -0.691 3.916 -6.770 1.00 0.00 C ATOM 1534 C HIS A 97 -1.228 4.607 -8.025 1.00 0.00 C ATOM 1535 O HIS A 97 -1.840 5.670 -7.938 1.00 0.00 O ATOM 1536 CB HIS A 97 -1.797 3.528 -5.787 1.00 0.00 C ATOM 1537 CG HIS A 97 -2.769 2.507 -6.327 1.00 0.00 C ATOM 1538 ND1 HIS A 97 -4.138 2.609 -6.154 1.00 0.00 N ATOM 1539 CD2 HIS A 97 -2.555 1.363 -7.038 1.00 0.00 C ATOM 1540 CE1 HIS A 97 -4.713 1.568 -6.738 1.00 0.00 C ATOM 1541 NE2 HIS A 97 -3.730 0.796 -7.285 1.00 0.00 N ATOM 0 H HIS A 97 -0.052 5.686 -5.848 1.00 0.00 H new ATOM 0 HA HIS A 97 -0.221 2.984 -7.084 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -1.340 3.135 -4.879 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -2.348 4.425 -5.504 1.00 0.00 H new ATOM 0 HD1 HIS A 97 -4.622 3.359 -5.660 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -1.593 0.983 -7.348 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -5.773 1.366 -6.775 1.00 0.00 H new ATOM 1549 N SER A 98 -0.980 3.974 -9.162 1.00 0.00 N ATOM 1550 CA SER A 98 -1.431 4.515 -10.433 1.00 0.00 C ATOM 1551 C SER A 98 -2.219 3.453 -11.204 1.00 0.00 C ATOM 1552 O SER A 98 -2.202 2.278 -10.841 1.00 0.00 O ATOM 1553 CB SER A 98 -0.252 5.013 -11.271 1.00 0.00 C ATOM 1554 OG SER A 98 0.612 5.864 -10.523 1.00 0.00 O ATOM 0 H SER A 98 -0.473 3.092 -9.230 1.00 0.00 H new ATOM 0 HA SER A 98 -2.082 5.366 -10.230 1.00 0.00 H new ATOM 0 HB2 SER A 98 0.314 4.159 -11.644 1.00 0.00 H new ATOM 0 HB3 SER A 98 -0.627 5.552 -12.141 1.00 0.00 H new ATOM 0 HG SER A 98 1.353 6.160 -11.092 1.00 0.00 H new ATOM 1560 N GLY A 99 -2.889 3.905 -12.254 1.00 0.00 N ATOM 1561 CA GLY A 99 -3.681 3.008 -13.078 1.00 0.00 C ATOM 1562 C GLY A 99 -5.161 3.393 -13.041 1.00 0.00 C ATOM 1563 O GLY A 99 -6.016 2.557 -12.752 1.00 0.00 O ATOM 0 H GLY A 99 -2.900 4.880 -12.553 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -3.319 3.038 -14.106 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -3.559 1.983 -12.727 1.00 0.00 H new ATOM 1567 N TRP A 100 -5.419 4.658 -13.337 1.00 0.00 N ATOM 1568 CA TRP A 100 -6.781 5.163 -13.340 1.00 0.00 C ATOM 1569 C TRP A 100 -7.038 5.822 -14.697 1.00 0.00 C ATOM 1570 O TRP A 100 -6.098 6.129 -15.429 1.00 0.00 O ATOM 1571 CB TRP A 100 -7.018 6.110 -12.162 1.00 0.00 C ATOM 1572 CG TRP A 100 -6.615 5.529 -10.806 1.00 0.00 C ATOM 1573 CD1 TRP A 100 -5.419 5.591 -10.204 1.00 0.00 C ATOM 1574 CD2 TRP A 100 -7.462 4.790 -9.900 1.00 0.00 C ATOM 1575 NE1 TRP A 100 -5.433 4.949 -8.983 1.00 0.00 N ATOM 1576 CE2 TRP A 100 -6.714 4.446 -8.792 1.00 0.00 C ATOM 1577 CE3 TRP A 100 -8.814 4.424 -10.014 1.00 0.00 C ATOM 1578 CZ2 TRP A 100 -7.233 3.720 -7.713 1.00 0.00 C ATOM 1579 CZ3 TRP A 100 -9.317 3.698 -8.928 1.00 0.00 C ATOM 1580 CH2 TRP A 100 -8.578 3.344 -7.805 1.00 0.00 C ATOM 0 H TRP A 100 -4.708 5.349 -13.577 1.00 0.00 H new ATOM 0 HA TRP A 100 -7.494 4.349 -13.207 1.00 0.00 H new ATOM 0 HB2 TRP A 100 -6.460 7.031 -12.331 1.00 0.00 H new ATOM 0 HB3 TRP A 100 -8.074 6.378 -12.131 1.00 0.00 H new ATOM 0 HD1 TRP A 100 -4.553 6.082 -10.622 1.00 0.00 H new ATOM 0 HE1 TRP A 100 -4.647 4.860 -8.339 1.00 0.00 H new ATOM 0 HE3 TRP A 100 -9.417 4.682 -10.872 1.00 0.00 H new ATOM 0 HZ2 TRP A 100 -6.628 3.464 -6.856 1.00 0.00 H new ATOM 0 HZ3 TRP A 100 -10.352 3.391 -8.965 1.00 0.00 H new ATOM 0 HH2 TRP A 100 -9.040 2.781 -7.007 1.00 0.00 H new ATOM 1591 N LYS A 101 -8.314 6.019 -14.992 1.00 0.00 N ATOM 1592 CA LYS A 101 -8.706 6.636 -16.248 1.00 0.00 C ATOM 1593 C LYS A 101 -9.199 8.059 -15.980 1.00 0.00 C ATOM 1594 O LYS A 101 -9.047 8.575 -14.874 1.00 0.00 O ATOM 1595 CB LYS A 101 -9.724 5.760 -16.980 1.00 0.00 C ATOM 1596 CG LYS A 101 -9.124 4.396 -17.329 1.00 0.00 C ATOM 1597 CD LYS A 101 -10.060 3.602 -18.242 1.00 0.00 C ATOM 1598 CE LYS A 101 -9.328 2.423 -18.886 1.00 0.00 C ATOM 1599 NZ LYS A 101 -10.296 1.479 -19.489 1.00 0.00 N ATOM 0 H LYS A 101 -9.091 5.762 -14.383 1.00 0.00 H new ATOM 0 HA LYS A 101 -7.849 6.716 -16.917 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -10.607 5.624 -16.356 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -10.052 6.261 -17.891 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -8.161 4.534 -17.821 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -8.937 3.832 -16.415 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -10.911 3.236 -17.667 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -10.457 4.256 -19.018 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -8.642 2.787 -19.650 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -8.727 1.908 -18.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -9.783 0.685 -19.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -10.934 1.118 -18.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -10.852 1.970 -20.218 1.00 0.00 H new ATOM 1613 N GLN A 102 -9.781 8.653 -17.012 1.00 0.00 N ATOM 1614 CA GLN A 102 -10.297 10.007 -16.902 1.00 0.00 C ATOM 1615 C GLN A 102 -11.256 10.115 -15.715 1.00 0.00 C ATOM 1616 O GLN A 102 -11.947 9.154 -15.381 1.00 0.00 O ATOM 1617 CB GLN A 102 -10.981 10.440 -18.200 1.00 0.00 C ATOM 1618 CG GLN A 102 -11.562 11.850 -18.071 1.00 0.00 C ATOM 1619 CD GLN A 102 -11.999 12.390 -19.434 1.00 0.00 C ATOM 1620 OE1 GLN A 102 -11.206 12.884 -20.218 1.00 0.00 O ATOM 1621 NE2 GLN A 102 -13.302 12.268 -19.671 1.00 0.00 N ATOM 0 H GLN A 102 -9.906 8.222 -17.928 1.00 0.00 H new ATOM 0 HA GLN A 102 -9.458 10.681 -16.729 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -10.263 10.412 -19.020 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -11.776 9.737 -18.448 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -12.414 11.835 -17.392 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -10.817 12.515 -17.634 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -13.910 11.844 -18.970 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -13.693 12.598 -20.553 1.00 0.00 H new ATOM 1630 N GLY A 103 -11.266 11.293 -15.109 1.00 0.00 N ATOM 1631 CA GLY A 103 -12.129 11.539 -13.965 1.00 0.00 C ATOM 1632 C GLY A 103 -13.541 11.919 -14.415 1.00 0.00 C ATOM 1633 O GLY A 103 -14.020 13.010 -14.111 1.00 0.00 O ATOM 0 H GLY A 103 -10.691 12.088 -15.388 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -12.171 10.648 -13.338 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -11.710 12.339 -13.355 1.00 0.00 H new ATOM 1637 N ASP A 104 -14.167 10.998 -15.133 1.00 0.00 N ATOM 1638 CA ASP A 104 -15.515 11.223 -15.628 1.00 0.00 C ATOM 1639 C ASP A 104 -16.192 9.875 -15.881 1.00 0.00 C ATOM 1640 O ASP A 104 -17.336 9.666 -15.481 1.00 0.00 O ATOM 1641 CB ASP A 104 -15.494 11.997 -16.947 1.00 0.00 C ATOM 1642 CG ASP A 104 -16.389 13.238 -16.982 1.00 0.00 C ATOM 1643 OD1 ASP A 104 -17.604 13.055 -17.210 1.00 0.00 O ATOM 1644 OD2 ASP A 104 -15.837 14.342 -16.781 1.00 0.00 O ATOM 0 H ASP A 104 -13.766 10.094 -15.384 1.00 0.00 H new ATOM 0 HA ASP A 104 -16.058 11.800 -14.880 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -14.468 12.301 -17.156 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -15.798 11.325 -17.750 1.00 0.00 H new ATOM 1649 N THR A 105 -15.457 8.995 -16.544 1.00 0.00 N ATOM 1650 CA THR A 105 -15.973 7.672 -16.856 1.00 0.00 C ATOM 1651 C THR A 105 -16.330 6.923 -15.571 1.00 0.00 C ATOM 1652 O THR A 105 -15.980 7.360 -14.475 1.00 0.00 O ATOM 1653 CB THR A 105 -14.931 6.948 -17.712 1.00 0.00 C ATOM 1654 OG1 THR A 105 -15.560 5.717 -18.056 1.00 0.00 O ATOM 1655 CG2 THR A 105 -13.701 6.527 -16.905 1.00 0.00 C ATOM 0 H THR A 105 -14.508 9.172 -16.874 1.00 0.00 H new ATOM 0 HA THR A 105 -16.899 7.733 -17.428 1.00 0.00 H new ATOM 0 HB THR A 105 -14.622 7.595 -18.533 1.00 0.00 H new ATOM 0 HG1 THR A 105 -14.954 5.185 -18.613 1.00 0.00 H new ATOM 0 HG21 THR A 105 -12.993 6.018 -17.559 1.00 0.00 H new ATOM 0 HG22 THR A 105 -13.228 7.410 -16.476 1.00 0.00 H new ATOM 0 HG23 THR A 105 -14.005 5.853 -16.104 1.00 0.00 H new ATOM 1663 N LYS A 106 -17.023 5.808 -15.747 1.00 0.00 N ATOM 1664 CA LYS A 106 -17.431 4.993 -14.615 1.00 0.00 C ATOM 1665 C LYS A 106 -16.719 3.641 -14.682 1.00 0.00 C ATOM 1666 O LYS A 106 -16.433 3.139 -15.768 1.00 0.00 O ATOM 1667 CB LYS A 106 -18.956 4.883 -14.557 1.00 0.00 C ATOM 1668 CG LYS A 106 -19.398 3.992 -13.394 1.00 0.00 C ATOM 1669 CD LYS A 106 -20.843 3.526 -13.579 1.00 0.00 C ATOM 1670 CE LYS A 106 -21.814 4.436 -12.822 1.00 0.00 C ATOM 1671 NZ LYS A 106 -22.636 5.220 -13.771 1.00 0.00 N ATOM 0 H LYS A 106 -17.313 5.449 -16.657 1.00 0.00 H new ATOM 0 HA LYS A 106 -17.132 5.464 -13.679 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -19.392 5.876 -14.445 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -19.331 4.474 -15.496 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -18.739 3.126 -13.324 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -19.306 4.540 -12.456 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -21.095 3.522 -14.640 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -20.947 2.501 -13.223 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -22.460 3.836 -12.182 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -21.257 5.110 -12.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -23.289 5.832 -13.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -22.016 5.807 -14.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -23.181 4.572 -14.375 1.00 0.00 H new ATOM 1685 N VAL A 107 -16.454 3.089 -13.507 1.00 0.00 N ATOM 1686 CA VAL A 107 -15.780 1.805 -13.418 1.00 0.00 C ATOM 1687 C VAL A 107 -16.795 0.685 -13.656 1.00 0.00 C ATOM 1688 O VAL A 107 -17.686 0.465 -12.836 1.00 0.00 O ATOM 1689 CB VAL A 107 -15.060 1.684 -12.074 1.00 0.00 C ATOM 1690 CG1 VAL A 107 -14.280 0.370 -11.986 1.00 0.00 C ATOM 1691 CG2 VAL A 107 -14.141 2.884 -11.834 1.00 0.00 C ATOM 0 H VAL A 107 -16.694 3.508 -12.608 1.00 0.00 H new ATOM 0 HA VAL A 107 -15.015 1.720 -14.190 1.00 0.00 H new ATOM 0 HB VAL A 107 -15.816 1.678 -11.289 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -13.777 0.309 -11.021 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -14.968 -0.469 -12.091 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -13.538 0.333 -12.784 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -13.641 2.773 -10.872 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -13.395 2.935 -12.627 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -14.732 3.800 -11.832 1.00 0.00 H new ATOM 1701 N GLU A 108 -16.626 0.005 -14.780 1.00 0.00 N ATOM 1702 CA GLU A 108 -17.516 -1.087 -15.136 1.00 0.00 C ATOM 1703 C GLU A 108 -17.459 -2.186 -14.073 1.00 0.00 C ATOM 1704 O GLU A 108 -18.358 -3.021 -13.989 1.00 0.00 O ATOM 1705 CB GLU A 108 -17.175 -1.644 -16.520 1.00 0.00 C ATOM 1706 CG GLU A 108 -15.775 -2.261 -16.532 1.00 0.00 C ATOM 1707 CD GLU A 108 -14.983 -1.799 -17.757 1.00 0.00 C ATOM 1708 OE1 GLU A 108 -15.609 -1.706 -18.835 1.00 0.00 O ATOM 1709 OE2 GLU A 108 -13.770 -1.549 -17.587 1.00 0.00 O ATOM 0 H GLU A 108 -15.885 0.189 -15.457 1.00 0.00 H new ATOM 0 HA GLU A 108 -18.535 -0.701 -15.177 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -17.911 -2.396 -16.805 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -17.231 -0.847 -17.261 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -15.242 -1.981 -15.623 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -15.853 -3.348 -16.534 1.00 0.00 H new ATOM 1716 N LYS A 109 -16.393 -2.150 -13.287 1.00 0.00 N ATOM 1717 CA LYS A 109 -16.206 -3.132 -12.233 1.00 0.00 C ATOM 1718 C LYS A 109 -16.520 -2.489 -10.881 1.00 0.00 C ATOM 1719 O LYS A 109 -15.831 -2.743 -9.894 1.00 0.00 O ATOM 1720 CB LYS A 109 -14.807 -3.745 -12.313 1.00 0.00 C ATOM 1721 CG LYS A 109 -14.799 -5.170 -11.756 1.00 0.00 C ATOM 1722 CD LYS A 109 -13.375 -5.727 -11.693 1.00 0.00 C ATOM 1723 CE LYS A 109 -13.293 -7.099 -12.364 1.00 0.00 C ATOM 1724 NZ LYS A 109 -11.885 -7.452 -12.652 1.00 0.00 N ATOM 0 H LYS A 109 -15.649 -1.455 -13.359 1.00 0.00 H new ATOM 0 HA LYS A 109 -16.900 -3.963 -12.360 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -14.469 -3.754 -13.349 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -14.104 -3.128 -11.754 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -15.240 -5.177 -10.759 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -15.417 -5.813 -12.383 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -12.689 -5.037 -12.183 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -13.058 -5.807 -10.653 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -13.738 -7.854 -11.716 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -13.869 -7.093 -13.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -11.847 -8.386 -13.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -11.472 -6.740 -13.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -11.345 -7.478 -11.764 1.00 0.00 H new ATOM 1738 N ALA A 110 -17.560 -1.668 -10.879 1.00 0.00 N ATOM 1739 CA ALA A 110 -17.973 -0.987 -9.664 1.00 0.00 C ATOM 1740 C ALA A 110 -18.919 0.161 -10.025 1.00 0.00 C ATOM 1741 O ALA A 110 -18.506 1.138 -10.648 1.00 0.00 O ATOM 1742 CB ALA A 110 -16.736 -0.505 -8.903 1.00 0.00 C ATOM 0 H ALA A 110 -18.129 -1.459 -11.700 1.00 0.00 H new ATOM 0 HA ALA A 110 -18.515 -1.668 -9.008 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -17.046 0.006 -7.991 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -16.111 -1.360 -8.645 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -16.169 0.183 -9.530 1.00 0.00 H new ATOM 1748 N GLY A 111 -20.170 0.005 -9.617 1.00 0.00 N ATOM 1749 CA GLY A 111 -21.177 1.015 -9.890 1.00 0.00 C ATOM 1750 C GLY A 111 -20.614 2.422 -9.679 1.00 0.00 C ATOM 1751 O GLY A 111 -21.010 3.363 -10.365 1.00 0.00 O ATOM 0 H GLY A 111 -20.509 -0.806 -9.099 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -21.532 0.912 -10.915 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -22.037 0.862 -9.238 1.00 0.00 H new ATOM 1755 N ALA A 112 -19.698 2.521 -8.726 1.00 0.00 N ATOM 1756 CA ALA A 112 -19.076 3.797 -8.416 1.00 0.00 C ATOM 1757 C ALA A 112 -18.222 4.246 -9.604 1.00 0.00 C ATOM 1758 O ALA A 112 -17.787 3.421 -10.407 1.00 0.00 O ATOM 1759 CB ALA A 112 -18.260 3.668 -7.128 1.00 0.00 C ATOM 0 H ALA A 112 -19.372 1.738 -8.159 1.00 0.00 H new ATOM 0 HA ALA A 112 -19.834 4.562 -8.247 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -17.793 4.625 -6.895 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -18.917 3.376 -6.309 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -17.487 2.911 -7.261 1.00 0.00 H new ATOM 1765 N GLU A 113 -18.009 5.551 -9.679 1.00 0.00 N ATOM 1766 CA GLU A 113 -17.215 6.119 -10.755 1.00 0.00 C ATOM 1767 C GLU A 113 -15.724 6.018 -10.426 1.00 0.00 C ATOM 1768 O GLU A 113 -15.350 5.869 -9.264 1.00 0.00 O ATOM 1769 CB GLU A 113 -17.619 7.569 -11.028 1.00 0.00 C ATOM 1770 CG GLU A 113 -19.068 7.653 -11.513 1.00 0.00 C ATOM 1771 CD GLU A 113 -19.867 8.660 -10.682 1.00 0.00 C ATOM 1772 OE1 GLU A 113 -19.817 9.857 -11.040 1.00 0.00 O ATOM 1773 OE2 GLU A 113 -20.509 8.210 -9.709 1.00 0.00 O ATOM 0 H GLU A 113 -18.373 6.232 -9.012 1.00 0.00 H new ATOM 0 HA GLU A 113 -17.406 5.546 -11.662 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -17.501 8.160 -10.120 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -16.955 8.000 -11.778 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -19.087 7.946 -12.563 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -19.535 6.670 -11.447 1.00 0.00 H new ATOM 1780 N SER A 114 -14.913 6.103 -11.471 1.00 0.00 N ATOM 1781 CA SER A 114 -13.472 6.023 -11.307 1.00 0.00 C ATOM 1782 C SER A 114 -12.989 7.133 -10.372 1.00 0.00 C ATOM 1783 O SER A 114 -12.019 6.953 -9.637 1.00 0.00 O ATOM 1784 CB SER A 114 -12.758 6.117 -12.657 1.00 0.00 C ATOM 1785 OG SER A 114 -13.074 7.325 -13.345 1.00 0.00 O ATOM 0 H SER A 114 -15.227 6.226 -12.434 1.00 0.00 H new ATOM 0 HA SER A 114 -13.231 5.056 -10.866 1.00 0.00 H new ATOM 0 HB2 SER A 114 -11.681 6.059 -12.502 1.00 0.00 H new ATOM 0 HB3 SER A 114 -13.037 5.264 -13.275 1.00 0.00 H new ATOM 0 HG SER A 114 -13.994 7.280 -13.679 1.00 0.00 H new ATOM 1791 N ALA A 115 -13.687 8.258 -10.431 1.00 0.00 N ATOM 1792 CA ALA A 115 -13.341 9.398 -9.599 1.00 0.00 C ATOM 1793 C ALA A 115 -13.751 9.111 -8.153 1.00 0.00 C ATOM 1794 O ALA A 115 -12.965 9.314 -7.229 1.00 0.00 O ATOM 1795 CB ALA A 115 -14.009 10.657 -10.155 1.00 0.00 C ATOM 0 H ALA A 115 -14.490 8.404 -11.042 1.00 0.00 H new ATOM 0 HA ALA A 115 -12.264 9.568 -9.609 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -13.750 11.512 -9.531 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -13.663 10.833 -11.174 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -15.091 10.524 -10.157 1.00 0.00 H new ATOM 1801 N VAL A 116 -14.982 8.643 -8.002 1.00 0.00 N ATOM 1802 CA VAL A 116 -15.505 8.327 -6.684 1.00 0.00 C ATOM 1803 C VAL A 116 -14.608 7.279 -6.022 1.00 0.00 C ATOM 1804 O VAL A 116 -14.223 7.429 -4.863 1.00 0.00 O ATOM 1805 CB VAL A 116 -16.965 7.881 -6.794 1.00 0.00 C ATOM 1806 CG1 VAL A 116 -17.536 7.530 -5.419 1.00 0.00 C ATOM 1807 CG2 VAL A 116 -17.814 8.950 -7.484 1.00 0.00 C ATOM 0 H VAL A 116 -15.632 8.475 -8.770 1.00 0.00 H new ATOM 0 HA VAL A 116 -15.496 9.211 -6.047 1.00 0.00 H new ATOM 0 HB VAL A 116 -16.995 6.981 -7.409 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -18.574 7.216 -5.526 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -16.955 6.719 -4.980 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -17.486 8.404 -4.770 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -18.847 8.608 -7.549 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -17.774 9.874 -6.908 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -17.427 9.130 -8.487 1.00 0.00 H new ATOM 1817 N VAL A 117 -14.302 6.241 -6.786 1.00 0.00 N ATOM 1818 CA VAL A 117 -13.458 5.168 -6.288 1.00 0.00 C ATOM 1819 C VAL A 117 -12.051 5.711 -6.028 1.00 0.00 C ATOM 1820 O VAL A 117 -11.387 5.296 -5.079 1.00 0.00 O ATOM 1821 CB VAL A 117 -13.474 3.992 -7.267 1.00 0.00 C ATOM 1822 CG1 VAL A 117 -12.274 3.071 -7.036 1.00 0.00 C ATOM 1823 CG2 VAL A 117 -14.788 3.216 -7.170 1.00 0.00 C ATOM 0 H VAL A 117 -14.623 6.120 -7.746 1.00 0.00 H new ATOM 0 HA VAL A 117 -13.841 4.789 -5.340 1.00 0.00 H new ATOM 0 HB VAL A 117 -13.398 4.395 -8.277 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -12.309 2.243 -7.744 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -11.351 3.633 -7.180 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -12.306 2.680 -6.019 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -14.773 2.386 -7.876 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -14.908 2.830 -6.158 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -15.620 3.879 -7.407 1.00 0.00 H new ATOM 1833 N HIS A 118 -11.638 6.630 -6.888 1.00 0.00 N ATOM 1834 CA HIS A 118 -10.322 7.234 -6.764 1.00 0.00 C ATOM 1835 C HIS A 118 -10.187 7.892 -5.390 1.00 0.00 C ATOM 1836 O HIS A 118 -9.243 7.612 -4.653 1.00 0.00 O ATOM 1837 CB HIS A 118 -10.059 8.206 -7.916 1.00 0.00 C ATOM 1838 CG HIS A 118 -9.255 9.422 -7.521 1.00 0.00 C ATOM 1839 ND1 HIS A 118 -9.819 10.676 -7.369 1.00 0.00 N ATOM 1840 CD2 HIS A 118 -7.926 9.561 -7.249 1.00 0.00 C ATOM 1841 CE1 HIS A 118 -8.862 11.525 -7.022 1.00 0.00 C ATOM 1842 NE2 HIS A 118 -7.690 10.832 -6.949 1.00 0.00 N ATOM 0 H HIS A 118 -12.191 6.971 -7.674 1.00 0.00 H new ATOM 0 HA HIS A 118 -9.556 6.462 -6.835 1.00 0.00 H new ATOM 0 HB2 HIS A 118 -9.533 7.678 -8.711 1.00 0.00 H new ATOM 0 HB3 HIS A 118 -11.014 8.532 -8.328 1.00 0.00 H new ATOM 0 HD2 HIS A 118 -7.190 8.771 -7.274 1.00 0.00 H new ATOM 0 HE1 HIS A 118 -8.988 12.580 -6.831 1.00 0.00 H new ATOM 0 HE2 HIS A 118 -6.781 11.226 -6.704 1.00 0.00 H new ATOM 1850 N GLU A 119 -11.146 8.754 -5.085 1.00 0.00 N ATOM 1851 CA GLU A 119 -11.146 9.455 -3.812 1.00 0.00 C ATOM 1852 C GLU A 119 -11.293 8.460 -2.659 1.00 0.00 C ATOM 1853 O GLU A 119 -10.538 8.512 -1.690 1.00 0.00 O ATOM 1854 CB GLU A 119 -12.251 10.512 -3.769 1.00 0.00 C ATOM 1855 CG GLU A 119 -11.763 11.840 -4.351 1.00 0.00 C ATOM 1856 CD GLU A 119 -12.732 12.975 -4.015 1.00 0.00 C ATOM 1857 OE1 GLU A 119 -13.860 12.936 -4.552 1.00 0.00 O ATOM 1858 OE2 GLU A 119 -12.322 13.857 -3.229 1.00 0.00 O ATOM 0 H GLU A 119 -11.929 8.983 -5.698 1.00 0.00 H new ATOM 0 HA GLU A 119 -10.192 9.970 -3.702 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -13.117 10.161 -4.331 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -12.577 10.660 -2.740 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -10.774 12.073 -3.956 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -11.662 11.752 -5.433 1.00 0.00 H new ATOM 1865 N ARG A 120 -12.271 7.577 -2.802 1.00 0.00 N ATOM 1866 CA ARG A 120 -12.527 6.572 -1.785 1.00 0.00 C ATOM 1867 C ARG A 120 -11.241 5.811 -1.455 1.00 0.00 C ATOM 1868 O ARG A 120 -10.841 5.735 -0.295 1.00 0.00 O ATOM 1869 CB ARG A 120 -13.595 5.579 -2.248 1.00 0.00 C ATOM 1870 CG ARG A 120 -14.941 5.872 -1.582 1.00 0.00 C ATOM 1871 CD ARG A 120 -15.666 4.574 -1.218 1.00 0.00 C ATOM 1872 NE ARG A 120 -14.937 3.874 -0.137 1.00 0.00 N ATOM 1873 CZ ARG A 120 -15.425 2.825 0.541 1.00 0.00 C ATOM 1874 NH1 ARG A 120 -16.644 2.350 0.253 1.00 0.00 N ATOM 1875 NH2 ARG A 120 -14.693 2.252 1.506 1.00 0.00 N ATOM 0 H ARG A 120 -12.896 7.537 -3.607 1.00 0.00 H new ATOM 0 HA ARG A 120 -12.888 7.086 -0.894 1.00 0.00 H new ATOM 0 HB2 ARG A 120 -13.702 5.633 -3.331 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -13.280 4.563 -2.009 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -14.784 6.469 -0.684 1.00 0.00 H new ATOM 0 HG3 ARG A 120 -15.562 6.464 -2.254 1.00 0.00 H new ATOM 0 HD2 ARG A 120 -16.684 4.794 -0.898 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -15.739 3.930 -2.095 1.00 0.00 H new ATOM 0 HE ARG A 120 -14.006 4.210 0.108 1.00 0.00 H new ATOM 0 HH11 ARG A 120 -17.201 2.786 -0.482 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -17.015 1.552 0.769 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -13.765 2.614 1.725 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -15.064 1.454 2.022 1.00 0.00 H new ATOM 1889 N MET A 121 -10.630 5.267 -2.497 1.00 0.00 N ATOM 1890 CA MET A 121 -9.398 4.515 -2.333 1.00 0.00 C ATOM 1891 C MET A 121 -8.242 5.436 -1.938 1.00 0.00 C ATOM 1892 O MET A 121 -7.494 5.136 -1.009 1.00 0.00 O ATOM 1893 CB MET A 121 -9.057 3.800 -3.642 1.00 0.00 C ATOM 1894 CG MET A 121 -9.643 2.387 -3.664 1.00 0.00 C ATOM 1895 SD MET A 121 -8.531 1.252 -2.850 1.00 0.00 S ATOM 1896 CE MET A 121 -8.251 0.089 -4.174 1.00 0.00 C ATOM 0 H MET A 121 -10.965 5.332 -3.458 1.00 0.00 H new ATOM 0 HA MET A 121 -9.544 3.784 -1.537 1.00 0.00 H new ATOM 0 HB2 MET A 121 -9.446 4.372 -4.485 1.00 0.00 H new ATOM 0 HB3 MET A 121 -7.975 3.751 -3.762 1.00 0.00 H new ATOM 0 HG2 MET A 121 -10.613 2.379 -3.166 1.00 0.00 H new ATOM 0 HG3 MET A 121 -9.810 2.070 -4.693 1.00 0.00 H new ATOM 0 HE1 MET A 121 -7.572 -0.693 -3.834 1.00 0.00 H new ATOM 0 HE2 MET A 121 -9.199 -0.358 -4.472 1.00 0.00 H new ATOM 0 HE3 MET A 121 -7.810 0.607 -5.026 1.00 0.00 H new ATOM 1906 N ASP A 122 -8.131 6.538 -2.665 1.00 0.00 N ATOM 1907 CA ASP A 122 -7.079 7.505 -2.402 1.00 0.00 C ATOM 1908 C ASP A 122 -7.100 7.886 -0.920 1.00 0.00 C ATOM 1909 O ASP A 122 -6.085 7.780 -0.234 1.00 0.00 O ATOM 1910 CB ASP A 122 -7.286 8.781 -3.221 1.00 0.00 C ATOM 1911 CG ASP A 122 -6.390 9.956 -2.824 1.00 0.00 C ATOM 1912 OD1 ASP A 122 -6.667 10.546 -1.757 1.00 0.00 O ATOM 1913 OD2 ASP A 122 -5.450 10.239 -3.597 1.00 0.00 O ATOM 0 H ASP A 122 -8.752 6.783 -3.436 1.00 0.00 H new ATOM 0 HA ASP A 122 -6.127 7.050 -2.677 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -7.114 8.552 -4.273 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -8.327 9.090 -3.128 1.00 0.00 H new ATOM 1918 N ARG A 123 -8.267 8.322 -0.471 1.00 0.00 N ATOM 1919 CA ARG A 123 -8.434 8.719 0.917 1.00 0.00 C ATOM 1920 C ARG A 123 -8.067 7.562 1.848 1.00 0.00 C ATOM 1921 O ARG A 123 -7.181 7.696 2.691 1.00 0.00 O ATOM 1922 CB ARG A 123 -9.875 9.152 1.197 1.00 0.00 C ATOM 1923 CG ARG A 123 -10.088 10.621 0.824 1.00 0.00 C ATOM 1924 CD ARG A 123 -11.134 11.271 1.732 1.00 0.00 C ATOM 1925 NE ARG A 123 -11.333 12.684 1.343 1.00 0.00 N ATOM 1926 CZ ARG A 123 -10.430 13.654 1.543 1.00 0.00 C ATOM 1927 NH1 ARG A 123 -9.260 13.368 2.130 1.00 0.00 N ATOM 1928 NH2 ARG A 123 -10.698 14.909 1.157 1.00 0.00 N ATOM 0 H ARG A 123 -9.107 8.409 -1.044 1.00 0.00 H new ATOM 0 HA ARG A 123 -7.770 9.564 1.102 1.00 0.00 H new ATOM 0 HB2 ARG A 123 -10.564 8.526 0.630 1.00 0.00 H new ATOM 0 HB3 ARG A 123 -10.105 9.004 2.252 1.00 0.00 H new ATOM 0 HG2 ARG A 123 -9.145 11.161 0.905 1.00 0.00 H new ATOM 0 HG3 ARG A 123 -10.408 10.693 -0.215 1.00 0.00 H new ATOM 0 HD2 ARG A 123 -12.077 10.729 1.660 1.00 0.00 H new ATOM 0 HD3 ARG A 123 -10.811 11.213 2.772 1.00 0.00 H new ATOM 0 HE ARG A 123 -12.213 12.936 0.894 1.00 0.00 H new ATOM 0 HH11 ARG A 123 -9.057 12.413 2.424 1.00 0.00 H new ATOM 0 HH12 ARG A 123 -8.572 14.106 2.283 1.00 0.00 H new ATOM 0 HH21 ARG A 123 -11.589 15.126 0.711 1.00 0.00 H new ATOM 0 HH22 ARG A 123 -10.011 15.647 1.309 1.00 0.00 H new ATOM 1942 N GLY A 124 -8.766 6.452 1.664 1.00 0.00 N ATOM 1943 CA GLY A 124 -8.524 5.272 2.477 1.00 0.00 C ATOM 1944 C GLY A 124 -7.050 4.864 2.428 1.00 0.00 C ATOM 1945 O GLY A 124 -6.512 4.350 3.407 1.00 0.00 O ATOM 0 H GLY A 124 -9.500 6.345 0.964 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -8.816 5.471 3.508 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -9.145 4.449 2.123 1.00 0.00 H new ATOM 1949 N TRP A 125 -6.440 5.110 1.278 1.00 0.00 N ATOM 1950 CA TRP A 125 -5.038 4.775 1.088 1.00 0.00 C ATOM 1951 C TRP A 125 -4.222 5.559 2.117 1.00 0.00 C ATOM 1952 O TRP A 125 -3.430 4.979 2.859 1.00 0.00 O ATOM 1953 CB TRP A 125 -4.601 5.044 -0.353 1.00 0.00 C ATOM 1954 CG TRP A 125 -4.456 3.782 -1.206 1.00 0.00 C ATOM 1955 CD1 TRP A 125 -5.283 3.332 -2.159 1.00 0.00 C ATOM 1956 CD2 TRP A 125 -3.382 2.820 -1.143 1.00 0.00 C ATOM 1957 NE1 TRP A 125 -4.822 2.155 -2.713 1.00 0.00 N ATOM 1958 CE2 TRP A 125 -3.630 1.834 -2.075 1.00 0.00 C ATOM 1959 CE3 TRP A 125 -2.239 2.785 -0.325 1.00 0.00 C ATOM 1960 CZ2 TRP A 125 -2.780 0.740 -2.279 1.00 0.00 C ATOM 1961 CZ3 TRP A 125 -1.400 1.685 -0.540 1.00 0.00 C ATOM 1962 CH2 TRP A 125 -1.635 0.684 -1.475 1.00 0.00 C ATOM 0 H TRP A 125 -6.890 5.537 0.468 1.00 0.00 H new ATOM 0 HA TRP A 125 -4.870 3.710 1.249 1.00 0.00 H new ATOM 0 HB2 TRP A 125 -5.327 5.707 -0.824 1.00 0.00 H new ATOM 0 HB3 TRP A 125 -3.648 5.573 -0.340 1.00 0.00 H new ATOM 0 HD1 TRP A 125 -6.195 3.828 -2.456 1.00 0.00 H new ATOM 0 HE1 TRP A 125 -5.273 1.619 -3.454 1.00 0.00 H new ATOM 0 HE3 TRP A 125 -2.025 3.546 0.411 1.00 0.00 H new ATOM 0 HZ2 TRP A 125 -2.996 -0.019 -3.016 1.00 0.00 H new ATOM 0 HZ3 TRP A 125 -0.507 1.609 0.063 1.00 0.00 H new ATOM 0 HH2 TRP A 125 -0.937 -0.134 -1.581 1.00 0.00 H new ATOM 1973 N HIS A 126 -4.442 6.865 2.130 1.00 0.00 N ATOM 1974 CA HIS A 126 -3.736 7.735 3.056 1.00 0.00 C ATOM 1975 C HIS A 126 -4.011 7.286 4.492 1.00 0.00 C ATOM 1976 O HIS A 126 -3.082 7.027 5.255 1.00 0.00 O ATOM 1977 CB HIS A 126 -4.102 9.200 2.812 1.00 0.00 C ATOM 1978 CG HIS A 126 -3.047 10.180 3.267 1.00 0.00 C ATOM 1979 ND1 HIS A 126 -1.698 9.873 3.290 1.00 0.00 N ATOM 1980 CD2 HIS A 126 -3.158 11.464 3.715 1.00 0.00 C ATOM 1981 CE1 HIS A 126 -1.036 10.931 3.735 1.00 0.00 C ATOM 1982 NE2 HIS A 126 -1.942 11.916 3.998 1.00 0.00 N ATOM 0 H HIS A 126 -5.100 7.343 1.514 1.00 0.00 H new ATOM 0 HA HIS A 126 -2.662 7.657 2.887 1.00 0.00 H new ATOM 0 HB2 HIS A 126 -4.284 9.346 1.747 1.00 0.00 H new ATOM 0 HB3 HIS A 126 -5.036 9.421 3.328 1.00 0.00 H new ATOM 0 HD2 HIS A 126 -4.079 12.019 3.821 1.00 0.00 H new ATOM 0 HE1 HIS A 126 0.034 11.001 3.866 1.00 0.00 H new ATOM 0 HE2 HIS A 126 -1.722 12.846 4.353 1.00 0.00 H new ATOM 1990 N ASP A 127 -5.293 7.208 4.818 1.00 0.00 N ATOM 1991 CA ASP A 127 -5.703 6.795 6.150 1.00 0.00 C ATOM 1992 C ASP A 127 -5.045 5.456 6.489 1.00 0.00 C ATOM 1993 O ASP A 127 -4.645 5.229 7.630 1.00 0.00 O ATOM 1994 CB ASP A 127 -7.220 6.609 6.226 1.00 0.00 C ATOM 1995 CG ASP A 127 -8.040 7.879 5.991 1.00 0.00 C ATOM 1996 OD1 ASP A 127 -8.127 8.683 6.944 1.00 0.00 O ATOM 1997 OD2 ASP A 127 -8.561 8.017 4.863 1.00 0.00 O ATOM 0 H ASP A 127 -6.061 7.424 4.183 1.00 0.00 H new ATOM 0 HA ASP A 127 -5.399 7.571 6.853 1.00 0.00 H new ATOM 0 HB2 ASP A 127 -7.517 5.862 5.490 1.00 0.00 H new ATOM 0 HB3 ASP A 127 -7.473 6.208 7.207 1.00 0.00 H new ATOM 2002 N LEU A 128 -4.953 4.605 5.478 1.00 0.00 N ATOM 2003 CA LEU A 128 -4.350 3.295 5.655 1.00 0.00 C ATOM 2004 C LEU A 128 -2.881 3.464 6.048 1.00 0.00 C ATOM 2005 O LEU A 128 -2.438 2.914 7.056 1.00 0.00 O ATOM 2006 CB LEU A 128 -4.557 2.437 4.405 1.00 0.00 C ATOM 2007 CG LEU A 128 -3.835 1.088 4.391 1.00 0.00 C ATOM 2008 CD1 LEU A 128 -4.515 0.092 5.332 1.00 0.00 C ATOM 2009 CD2 LEU A 128 -3.719 0.543 2.966 1.00 0.00 C ATOM 0 H LEU A 128 -5.286 4.797 4.533 1.00 0.00 H new ATOM 0 HA LEU A 128 -4.838 2.757 6.468 1.00 0.00 H new ATOM 0 HB2 LEU A 128 -5.625 2.256 4.285 1.00 0.00 H new ATOM 0 HB3 LEU A 128 -4.231 3.010 3.537 1.00 0.00 H new ATOM 0 HG LEU A 128 -2.821 1.240 4.761 1.00 0.00 H new ATOM 0 HD11 LEU A 128 -3.982 -0.858 5.303 1.00 0.00 H new ATOM 0 HD12 LEU A 128 -4.502 0.485 6.349 1.00 0.00 H new ATOM 0 HD13 LEU A 128 -5.547 -0.061 5.016 1.00 0.00 H new ATOM 0 HD21 LEU A 128 -3.202 -0.416 2.984 1.00 0.00 H new ATOM 0 HD22 LEU A 128 -4.716 0.410 2.545 1.00 0.00 H new ATOM 0 HD23 LEU A 128 -3.157 1.246 2.352 1.00 0.00 H new ATOM 2021 N VAL A 129 -2.166 4.225 5.233 1.00 0.00 N ATOM 2022 CA VAL A 129 -0.757 4.473 5.484 1.00 0.00 C ATOM 2023 C VAL A 129 -0.608 5.739 6.330 1.00 0.00 C ATOM 2024 O VAL A 129 0.304 6.534 6.109 1.00 0.00 O ATOM 2025 CB VAL A 129 0.005 4.546 4.159 1.00 0.00 C ATOM 2026 CG1 VAL A 129 -0.443 5.755 3.335 1.00 0.00 C ATOM 2027 CG2 VAL A 129 1.517 4.574 4.397 1.00 0.00 C ATOM 0 H VAL A 129 -2.536 4.678 4.398 1.00 0.00 H new ATOM 0 HA VAL A 129 -0.320 3.651 6.051 1.00 0.00 H new ATOM 0 HB VAL A 129 -0.228 3.647 3.588 1.00 0.00 H new ATOM 0 HG11 VAL A 129 0.114 5.784 2.398 1.00 0.00 H new ATOM 0 HG12 VAL A 129 -1.509 5.675 3.121 1.00 0.00 H new ATOM 0 HG13 VAL A 129 -0.254 6.669 3.898 1.00 0.00 H new ATOM 0 HG21 VAL A 129 2.035 4.626 3.439 1.00 0.00 H new ATOM 0 HG22 VAL A 129 1.775 5.447 4.997 1.00 0.00 H new ATOM 0 HG23 VAL A 129 1.819 3.669 4.924 1.00 0.00 H new ATOM 2037 N ASN A 130 -1.518 5.887 7.281 1.00 0.00 N ATOM 2038 CA ASN A 130 -1.500 7.042 8.161 1.00 0.00 C ATOM 2039 C ASN A 130 -1.380 6.571 9.612 1.00 0.00 C ATOM 2040 O ASN A 130 -0.451 6.958 10.320 1.00 0.00 O ATOM 2041 CB ASN A 130 -2.791 7.853 8.032 1.00 0.00 C ATOM 2042 CG ASN A 130 -2.510 9.243 7.456 1.00 0.00 C ATOM 2043 OD1 ASN A 130 -2.666 10.259 8.113 1.00 0.00 O ATOM 2044 ND2 ASN A 130 -2.088 9.230 6.195 1.00 0.00 N ATOM 0 H ASN A 130 -2.273 5.225 7.461 1.00 0.00 H new ATOM 0 HA ASN A 130 -0.652 7.667 7.880 1.00 0.00 H new ATOM 0 HB2 ASN A 130 -3.494 7.324 7.389 1.00 0.00 H new ATOM 0 HB3 ASN A 130 -3.264 7.949 9.010 1.00 0.00 H new ATOM 0 HD21 ASN A 130 -1.873 10.107 5.720 1.00 0.00 H new ATOM 0 HD22 ASN A 130 -1.979 8.343 5.703 1.00 0.00 H new ATOM 2051 N GLU A 131 -2.334 5.743 10.012 1.00 0.00 N ATOM 2052 CA GLU A 131 -2.347 5.215 11.366 1.00 0.00 C ATOM 2053 C GLU A 131 -2.451 3.689 11.340 1.00 0.00 C ATOM 2054 O GLU A 131 -1.758 3.003 12.090 1.00 0.00 O ATOM 2055 CB GLU A 131 -3.487 5.828 12.182 1.00 0.00 C ATOM 2056 CG GLU A 131 -4.842 5.543 11.532 1.00 0.00 C ATOM 2057 CD GLU A 131 -5.490 4.297 12.139 1.00 0.00 C ATOM 2058 OE1 GLU A 131 -4.768 3.575 12.860 1.00 0.00 O ATOM 2059 OE2 GLU A 131 -6.694 4.094 11.869 1.00 0.00 O ATOM 0 H GLU A 131 -3.103 5.425 9.423 1.00 0.00 H new ATOM 0 HA GLU A 131 -1.409 5.487 11.850 1.00 0.00 H new ATOM 0 HB2 GLU A 131 -3.473 5.423 13.194 1.00 0.00 H new ATOM 0 HB3 GLU A 131 -3.340 6.905 12.267 1.00 0.00 H new ATOM 0 HG2 GLU A 131 -5.501 6.401 11.665 1.00 0.00 H new ATOM 0 HG3 GLU A 131 -4.712 5.404 10.459 1.00 0.00 H new ATOM 2066 N ARG A 132 -3.321 3.202 10.468 1.00 0.00 N ATOM 2067 CA ARG A 132 -3.525 1.769 10.334 1.00 0.00 C ATOM 2068 C ARG A 132 -2.181 1.055 10.178 1.00 0.00 C ATOM 2069 O ARG A 132 -2.000 -0.052 10.683 1.00 0.00 O ATOM 2070 CB ARG A 132 -4.407 1.449 9.126 1.00 0.00 C ATOM 2071 CG ARG A 132 -5.758 2.160 9.230 1.00 0.00 C ATOM 2072 CD ARG A 132 -6.845 1.202 9.724 1.00 0.00 C ATOM 2073 NE ARG A 132 -8.160 1.604 9.178 1.00 0.00 N ATOM 2074 CZ ARG A 132 -9.321 1.022 9.508 1.00 0.00 C ATOM 2075 NH1 ARG A 132 -9.336 0.008 10.383 1.00 0.00 N ATOM 2076 NH2 ARG A 132 -10.466 1.453 8.962 1.00 0.00 N ATOM 0 H ARG A 132 -3.893 3.774 9.847 1.00 0.00 H new ATOM 0 HA ARG A 132 -4.025 1.419 11.237 1.00 0.00 H new ATOM 0 HB2 ARG A 132 -3.901 1.755 8.210 1.00 0.00 H new ATOM 0 HB3 ARG A 132 -4.563 0.372 9.060 1.00 0.00 H new ATOM 0 HG2 ARG A 132 -5.676 3.006 9.912 1.00 0.00 H new ATOM 0 HG3 ARG A 132 -6.038 2.562 8.256 1.00 0.00 H new ATOM 0 HD2 ARG A 132 -6.610 0.183 9.416 1.00 0.00 H new ATOM 0 HD3 ARG A 132 -6.878 1.207 10.814 1.00 0.00 H new ATOM 0 HE ARG A 132 -8.184 2.373 8.508 1.00 0.00 H new ATOM 0 HH11 ARG A 132 -8.464 -0.321 10.798 1.00 0.00 H new ATOM 0 HH12 ARG A 132 -10.219 -0.435 10.635 1.00 0.00 H new ATOM 0 HH21 ARG A 132 -10.454 2.224 8.295 1.00 0.00 H new ATOM 0 HH22 ARG A 132 -11.350 1.010 9.213 1.00 0.00 H new ATOM 2090 N LEU A 133 -1.272 1.717 9.477 1.00 0.00 N ATOM 2091 CA LEU A 133 0.050 1.159 9.248 1.00 0.00 C ATOM 2092 C LEU A 133 0.965 1.533 10.416 1.00 0.00 C ATOM 2093 O LEU A 133 1.724 0.699 10.906 1.00 0.00 O ATOM 2094 CB LEU A 133 0.586 1.594 7.883 1.00 0.00 C ATOM 2095 CG LEU A 133 2.054 1.266 7.604 1.00 0.00 C ATOM 2096 CD1 LEU A 133 2.290 -0.245 7.613 1.00 0.00 C ATOM 2097 CD2 LEU A 133 2.521 1.912 6.297 1.00 0.00 C ATOM 0 H LEU A 133 -1.425 2.635 9.060 1.00 0.00 H new ATOM 0 HA LEU A 133 0.004 0.071 9.214 1.00 0.00 H new ATOM 0 HB2 LEU A 133 -0.024 1.127 7.110 1.00 0.00 H new ATOM 0 HB3 LEU A 133 0.451 2.671 7.788 1.00 0.00 H new ATOM 0 HG LEU A 133 2.657 1.690 8.407 1.00 0.00 H new ATOM 0 HD11 LEU A 133 3.341 -0.450 7.412 1.00 0.00 H new ATOM 0 HD12 LEU A 133 2.021 -0.649 8.589 1.00 0.00 H new ATOM 0 HD13 LEU A 133 1.676 -0.714 6.844 1.00 0.00 H new ATOM 0 HD21 LEU A 133 3.568 1.663 6.122 1.00 0.00 H new ATOM 0 HD22 LEU A 133 1.916 1.539 5.470 1.00 0.00 H new ATOM 0 HD23 LEU A 133 2.412 2.994 6.367 1.00 0.00 H new ATOM 2109 N ARG A 134 0.864 2.789 10.827 1.00 0.00 N ATOM 2110 CA ARG A 134 1.673 3.284 11.927 1.00 0.00 C ATOM 2111 C ARG A 134 1.547 2.356 13.138 1.00 0.00 C ATOM 2112 O ARG A 134 2.508 2.168 13.882 1.00 0.00 O ATOM 2113 CB ARG A 134 1.249 4.698 12.330 1.00 0.00 C ATOM 2114 CG ARG A 134 2.348 5.390 13.140 1.00 0.00 C ATOM 2115 CD ARG A 134 1.761 6.121 14.348 1.00 0.00 C ATOM 2116 NE ARG A 134 1.821 7.584 14.132 1.00 0.00 N ATOM 2117 CZ ARG A 134 0.897 8.283 13.459 1.00 0.00 C ATOM 2118 NH1 ARG A 134 -0.164 7.656 12.931 1.00 0.00 N ATOM 2119 NH2 ARG A 134 1.033 9.608 13.312 1.00 0.00 N ATOM 0 H ARG A 134 0.234 3.478 10.417 1.00 0.00 H new ATOM 0 HA ARG A 134 2.710 3.310 11.591 1.00 0.00 H new ATOM 0 HB2 ARG A 134 1.027 5.283 11.438 1.00 0.00 H new ATOM 0 HB3 ARG A 134 0.332 4.653 12.918 1.00 0.00 H new ATOM 0 HG2 ARG A 134 3.076 4.652 13.476 1.00 0.00 H new ATOM 0 HG3 ARG A 134 2.881 6.098 12.506 1.00 0.00 H new ATOM 0 HD2 ARG A 134 0.728 5.810 14.505 1.00 0.00 H new ATOM 0 HD3 ARG A 134 2.314 5.855 15.249 1.00 0.00 H new ATOM 0 HE ARG A 134 2.616 8.092 14.520 1.00 0.00 H new ATOM 0 HH11 ARG A 134 -0.268 6.647 13.042 1.00 0.00 H new ATOM 0 HH12 ARG A 134 -0.868 8.188 12.419 1.00 0.00 H new ATOM 0 HH21 ARG A 134 1.841 10.085 13.713 1.00 0.00 H new ATOM 0 HH22 ARG A 134 0.329 10.139 12.799 1.00 0.00 H new ATOM 2133 N GLN A 135 0.354 1.802 13.297 1.00 0.00 N ATOM 2134 CA GLN A 135 0.090 0.899 14.404 1.00 0.00 C ATOM 2135 C GLN A 135 0.862 -0.408 14.218 1.00 0.00 C ATOM 2136 O GLN A 135 1.384 -0.967 15.182 1.00 0.00 O ATOM 2137 CB GLN A 135 -1.410 0.634 14.550 1.00 0.00 C ATOM 2138 CG GLN A 135 -1.935 1.171 15.883 1.00 0.00 C ATOM 2139 CD GLN A 135 -2.905 0.180 16.529 1.00 0.00 C ATOM 2140 OE1 GLN A 135 -3.309 -0.808 15.938 1.00 0.00 O ATOM 2141 NE2 GLN A 135 -3.254 0.498 17.772 1.00 0.00 N ATOM 0 H GLN A 135 -0.441 1.961 12.678 1.00 0.00 H new ATOM 0 HA GLN A 135 0.433 1.373 15.324 1.00 0.00 H new ATOM 0 HB2 GLN A 135 -1.948 1.105 13.727 1.00 0.00 H new ATOM 0 HB3 GLN A 135 -1.602 -0.437 14.485 1.00 0.00 H new ATOM 0 HG2 GLN A 135 -1.100 1.360 16.557 1.00 0.00 H new ATOM 0 HG3 GLN A 135 -2.437 2.125 15.722 1.00 0.00 H new ATOM 0 HE21 GLN A 135 -2.878 1.340 18.207 1.00 0.00 H new ATOM 0 HE22 GLN A 135 -3.897 -0.100 18.290 1.00 0.00 H new ATOM 2150 N ILE A 136 0.911 -0.858 12.973 1.00 0.00 N ATOM 2151 CA ILE A 136 1.611 -2.090 12.649 1.00 0.00 C ATOM 2152 C ILE A 136 3.011 -2.053 13.266 1.00 0.00 C ATOM 2153 O ILE A 136 3.603 -3.098 13.533 1.00 0.00 O ATOM 2154 CB ILE A 136 1.611 -2.324 11.137 1.00 0.00 C ATOM 2155 CG1 ILE A 136 0.183 -2.407 10.595 1.00 0.00 C ATOM 2156 CG2 ILE A 136 2.435 -3.560 10.774 1.00 0.00 C ATOM 2157 CD1 ILE A 136 -0.676 -3.339 11.453 1.00 0.00 C ATOM 0 H ILE A 136 0.477 -0.392 12.176 1.00 0.00 H new ATOM 0 HA ILE A 136 1.094 -2.947 13.081 1.00 0.00 H new ATOM 0 HB ILE A 136 2.087 -1.468 10.659 1.00 0.00 H new ATOM 0 HG12 ILE A 136 -0.261 -1.412 10.576 1.00 0.00 H new ATOM 0 HG13 ILE A 136 0.201 -2.767 9.566 1.00 0.00 H new ATOM 0 HG21 ILE A 136 2.419 -3.704 9.694 1.00 0.00 H new ATOM 0 HG22 ILE A 136 3.464 -3.422 11.106 1.00 0.00 H new ATOM 0 HG23 ILE A 136 2.011 -4.437 11.263 1.00 0.00 H new ATOM 0 HD11 ILE A 136 -1.686 -3.380 11.046 1.00 0.00 H new ATOM 0 HD12 ILE A 136 -0.242 -4.339 11.450 1.00 0.00 H new ATOM 0 HD13 ILE A 136 -0.712 -2.962 12.475 1.00 0.00 H new ATOM 2169 N VAL A 137 3.499 -0.839 13.474 1.00 0.00 N ATOM 2170 CA VAL A 137 4.818 -0.653 14.055 1.00 0.00 C ATOM 2171 C VAL A 137 4.672 -0.137 15.487 1.00 0.00 C ATOM 2172 O VAL A 137 5.520 -0.404 16.337 1.00 0.00 O ATOM 2173 CB VAL A 137 5.654 0.272 13.168 1.00 0.00 C ATOM 2174 CG1 VAL A 137 5.868 -0.342 11.783 1.00 0.00 C ATOM 2175 CG2 VAL A 137 5.012 1.657 13.061 1.00 0.00 C ATOM 0 H VAL A 137 3.005 0.025 13.251 1.00 0.00 H new ATOM 0 HA VAL A 137 5.351 -1.603 14.105 1.00 0.00 H new ATOM 0 HB VAL A 137 6.631 0.391 13.636 1.00 0.00 H new ATOM 0 HG11 VAL A 137 6.465 0.336 11.173 1.00 0.00 H new ATOM 0 HG12 VAL A 137 6.389 -1.294 11.884 1.00 0.00 H new ATOM 0 HG13 VAL A 137 4.902 -0.506 11.304 1.00 0.00 H new ATOM 0 HG21 VAL A 137 5.626 2.295 12.425 1.00 0.00 H new ATOM 0 HG22 VAL A 137 4.016 1.564 12.628 1.00 0.00 H new ATOM 0 HG23 VAL A 137 4.936 2.100 14.054 1.00 0.00 H new ATOM 2185 N GLU A 138 3.589 0.594 15.712 1.00 0.00 N ATOM 2186 CA GLU A 138 3.321 1.150 17.027 1.00 0.00 C ATOM 2187 C GLU A 138 2.531 0.151 17.875 1.00 0.00 C ATOM 2188 O GLU A 138 1.969 0.515 18.907 1.00 0.00 O ATOM 2189 CB GLU A 138 2.579 2.484 16.917 1.00 0.00 C ATOM 2190 CG GLU A 138 3.558 3.659 16.937 1.00 0.00 C ATOM 2191 CD GLU A 138 3.406 4.478 18.221 1.00 0.00 C ATOM 2192 OE1 GLU A 138 3.955 4.027 19.249 1.00 0.00 O ATOM 2193 OE2 GLU A 138 2.745 5.536 18.144 1.00 0.00 O ATOM 0 H GLU A 138 2.887 0.814 15.005 1.00 0.00 H new ATOM 0 HA GLU A 138 4.274 1.341 17.520 1.00 0.00 H new ATOM 0 HB2 GLU A 138 1.998 2.506 15.995 1.00 0.00 H new ATOM 0 HB3 GLU A 138 1.873 2.580 17.742 1.00 0.00 H new ATOM 0 HG2 GLU A 138 4.580 3.287 16.857 1.00 0.00 H new ATOM 0 HG3 GLU A 138 3.383 4.298 16.071 1.00 0.00 H new TER 2200 GLU A 138