USER MOD reduce.3.24.130724 H: found=0, std=0, add=1083, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1079 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 135 HIS : no HD1:sc= 1 K(o=1.7,f=-3.6!) USER MOD Set 1.2: A 136 SER OG : rot 81:sc= 0.669 USER MOD Set 2.1: A 123 TYR OH : rot -87:sc= 0.0628 USER MOD Set 2.2: A 138 LYS NZ :NH3+ 156:sc= 0.917 (180deg=0.531) USER MOD Set 3.1: A 88 ASN : amide:sc= -1.6 K(o=-1.3,f=-7.4!) USER MOD Set 3.2: A 90 SER OG : rot 90:sc= 0.274 USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot -173:sc= -1.76! USER MOD Single : A 22 LYS NZ :NH3+ 151:sc= -0.871 (180deg=-2.17!) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot -77:sc= 1.22 USER MOD Single : A 34 LYS NZ :NH3+ -174:sc= 1.27 (180deg=1.22) USER MOD Single : A 35 SER OG : rot 180:sc= 0.0184 USER MOD Single : A 38 SER OG : rot 153:sc= 0.868 USER MOD Single : A 40 ASN : amide:sc= 0.016 K(o=0.016,f=-6.6!) USER MOD Single : A 41 SER OG : rot 180:sc= 0.0268 USER MOD Single : A 43 HIS : no HE2:sc= 1.2 K(o=1.2,f=-4.1!) USER MOD Single : A 47 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 52 HIS : no HE2:sc= -1.02 K(o=-1,f=-0.48) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= 0.423 K(o=0.42,f=-3.4!) USER MOD Single : A 61 LYS NZ :NH3+ 165:sc= -0.0548 (180deg=-0.327) USER MOD Single : A 63 GLN : amide:sc= -0.019 X(o=-0.019,f=-0.23) USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.0187 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.00689 USER MOD Single : A 70 GLN : amide:sc= -1.26 K(o=-1.3,f=-0.17) USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=-0.099) USER MOD Single : A 78 LYS NZ :NH3+ -170:sc= -0.0155 (180deg=-0.128) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ -164:sc= 1.28 (180deg=0.918) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 167:sc= -0.0613 (180deg=-0.283) USER MOD Single : A 99 TYR OH : rot -163:sc= 1.24 USER MOD Single : A 100 LYS NZ :NH3+ 175:sc= 1.3 (180deg=1.09) USER MOD Single : A 104 LYS NZ :NH3+ -177:sc= 1.24 (180deg=1.1) USER MOD Single : A 105 SER OG : rot -144:sc= 0.564 USER MOD Single : A 108 GLN : amide:sc= -0.0107 X(o=-0.011,f=-0.39) USER MOD Single : A 110 SER OG : rot -122:sc= 1.35 USER MOD Single : A 111 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 113 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 114 LYS NZ :NH3+ -170:sc= 0.934 (180deg=0.717) USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 SER OG : rot 180:sc= 0 USER MOD Single : A 132 CYS SG : rot -46:sc= -1.01 USER MOD Single : A 141 MET CE :methyl -165:sc= -0.0399 (180deg=-0.333) USER MOD Single : A 142 SER OG : rot 180:sc= 0 USER MOD Single : A 143 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 147 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 14 -19.705 14.006 17.505 1.00 11.00 N ATOM 2 CA ASP A 14 -20.540 15.148 17.083 1.00 43.05 C ATOM 3 C ASP A 14 -20.188 15.591 15.668 1.00 44.34 C ATOM 4 O ASP A 14 -20.898 16.411 15.056 1.00 34.52 O ATOM 5 CB ASP A 14 -20.367 16.327 18.049 1.00 11.00 C ATOM 6 CG ASP A 14 -20.806 16.007 19.459 1.00 22.12 C ATOM 7 OD1 ASP A 14 -21.492 16.836 20.085 1.00 10.02 O ATOM 8 OD2 ASP A 14 -20.467 14.912 19.973 1.00 21.22 O ATOM 0 HA ASP A 14 -21.580 14.821 17.098 1.00 43.05 H new ATOM 0 HB2 ASP A 14 -19.320 16.629 18.061 1.00 11.00 H new ATOM 0 HB3 ASP A 14 -20.940 17.178 17.681 1.00 11.00 H new ATOM 13 N MET A 15 -19.097 15.070 15.138 1.00 20.13 N ATOM 14 CA MET A 15 -18.656 15.405 13.801 1.00 32.43 C ATOM 15 C MET A 15 -18.880 14.223 12.887 1.00 70.45 C ATOM 16 O MET A 15 -18.343 13.141 13.125 1.00 43.03 O ATOM 17 CB MET A 15 -17.178 15.816 13.772 1.00 1.14 C ATOM 18 CG MET A 15 -16.845 17.221 14.287 1.00 15.24 C ATOM 19 SD MET A 15 -17.308 17.521 16.005 1.00 60.44 S ATOM 20 CE MET A 15 -16.548 19.126 16.253 1.00 64.34 C ATOM 0 H MET A 15 -18.494 14.405 15.622 1.00 20.13 H new ATOM 0 HA MET A 15 -19.240 16.259 13.458 1.00 32.43 H new ATOM 0 HB2 MET A 15 -16.612 15.094 14.361 1.00 1.14 H new ATOM 0 HB3 MET A 15 -16.823 15.737 12.745 1.00 1.14 H new ATOM 0 HG2 MET A 15 -15.773 17.389 14.179 1.00 15.24 H new ATOM 0 HG3 MET A 15 -17.348 17.954 13.656 1.00 15.24 H new ATOM 0 HE1 MET A 15 -16.737 19.465 17.272 1.00 64.34 H new ATOM 0 HE2 MET A 15 -15.473 19.049 16.090 1.00 64.34 H new ATOM 0 HE3 MET A 15 -16.971 19.842 15.548 1.00 64.34 H new ATOM 30 N VAL A 16 -19.651 14.438 11.838 1.00 23.52 N ATOM 31 CA VAL A 16 -20.043 13.376 10.920 1.00 65.05 C ATOM 32 C VAL A 16 -18.848 12.688 10.232 1.00 64.41 C ATOM 33 O VAL A 16 -18.814 11.471 10.141 1.00 72.30 O ATOM 34 CB VAL A 16 -21.106 13.865 9.869 1.00 21.11 C ATOM 35 CG1 VAL A 16 -20.587 15.014 9.008 1.00 32.41 C ATOM 36 CG2 VAL A 16 -21.597 12.715 8.996 1.00 54.13 C ATOM 0 H VAL A 16 -20.026 15.355 11.595 1.00 23.52 H new ATOM 0 HA VAL A 16 -20.516 12.616 11.542 1.00 65.05 H new ATOM 0 HB VAL A 16 -21.953 14.246 10.440 1.00 21.11 H new ATOM 0 HG11 VAL A 16 -21.358 15.315 8.299 1.00 32.41 H new ATOM 0 HG12 VAL A 16 -20.331 15.860 9.646 1.00 32.41 H new ATOM 0 HG13 VAL A 16 -19.701 14.689 8.463 1.00 32.41 H new ATOM 0 HG21 VAL A 16 -22.330 13.088 8.281 1.00 54.13 H new ATOM 0 HG22 VAL A 16 -20.754 12.281 8.458 1.00 54.13 H new ATOM 0 HG23 VAL A 16 -22.058 11.953 9.624 1.00 54.13 H new ATOM 46 N THR A 17 -17.856 13.449 9.805 1.00 54.55 N ATOM 47 CA THR A 17 -16.740 12.867 9.081 1.00 24.14 C ATOM 48 C THR A 17 -15.784 12.151 10.041 1.00 24.32 C ATOM 49 O THR A 17 -15.216 11.118 9.709 1.00 24.32 O ATOM 50 CB THR A 17 -15.997 13.950 8.321 1.00 43.12 C ATOM 51 OG1 THR A 17 -16.961 14.891 7.853 1.00 73.15 O ATOM 52 CG2 THR A 17 -15.277 13.354 7.126 1.00 44.30 C ATOM 0 H THR A 17 -17.800 14.458 9.944 1.00 54.55 H new ATOM 0 HA THR A 17 -17.130 12.134 8.375 1.00 24.14 H new ATOM 0 HB THR A 17 -15.264 14.424 8.974 1.00 43.12 H new ATOM 0 HG1 THR A 17 -16.524 15.542 7.266 1.00 73.15 H new ATOM 0 HG21 THR A 17 -14.748 14.142 6.590 1.00 44.30 H new ATOM 0 HG22 THR A 17 -14.563 12.605 7.468 1.00 44.30 H new ATOM 0 HG23 THR A 17 -16.002 12.886 6.460 1.00 44.30 H new ATOM 60 N ASP A 18 -15.639 12.709 11.231 1.00 70.22 N ATOM 61 CA ASP A 18 -14.801 12.124 12.287 1.00 11.50 C ATOM 62 C ASP A 18 -15.385 10.763 12.661 1.00 33.35 C ATOM 63 O ASP A 18 -14.684 9.739 12.703 1.00 71.02 O ATOM 64 CB ASP A 18 -14.804 13.055 13.513 1.00 14.33 C ATOM 65 CG ASP A 18 -13.798 12.692 14.598 1.00 71.21 C ATOM 66 OD1 ASP A 18 -12.827 13.464 14.805 1.00 35.12 O ATOM 67 OD2 ASP A 18 -13.980 11.684 15.289 1.00 50.23 O ATOM 0 H ASP A 18 -16.095 13.580 11.501 1.00 70.22 H new ATOM 0 HA ASP A 18 -13.775 12.004 11.940 1.00 11.50 H new ATOM 0 HB2 ASP A 18 -14.604 14.073 13.178 1.00 14.33 H new ATOM 0 HB3 ASP A 18 -15.803 13.054 13.949 1.00 14.33 H new ATOM 72 N LEU A 19 -16.698 10.754 12.849 1.00 62.44 N ATOM 73 CA LEU A 19 -17.434 9.555 13.178 1.00 53.03 C ATOM 74 C LEU A 19 -17.384 8.570 12.005 1.00 31.45 C ATOM 75 O LEU A 19 -17.270 7.362 12.201 1.00 24.32 O ATOM 76 CB LEU A 19 -18.895 9.936 13.580 1.00 52.22 C ATOM 77 CG LEU A 19 -19.872 8.815 14.051 1.00 32.05 C ATOM 78 CD1 LEU A 19 -20.395 7.975 12.892 1.00 64.00 C ATOM 79 CD2 LEU A 19 -19.206 7.923 15.093 1.00 4.52 C ATOM 0 H LEU A 19 -17.280 11.588 12.775 1.00 62.44 H new ATOM 0 HA LEU A 19 -16.978 9.055 14.032 1.00 53.03 H new ATOM 0 HB2 LEU A 19 -18.833 10.674 14.379 1.00 52.22 H new ATOM 0 HB3 LEU A 19 -19.352 10.431 12.723 1.00 52.22 H new ATOM 0 HG LEU A 19 -20.730 9.313 14.503 1.00 32.05 H new ATOM 0 HD11 LEU A 19 -21.071 7.209 13.273 1.00 64.00 H new ATOM 0 HD12 LEU A 19 -20.931 8.615 12.191 1.00 64.00 H new ATOM 0 HD13 LEU A 19 -19.558 7.499 12.381 1.00 64.00 H new ATOM 0 HD21 LEU A 19 -19.904 7.148 15.408 1.00 4.52 H new ATOM 0 HD22 LEU A 19 -18.319 7.459 14.661 1.00 4.52 H new ATOM 0 HD23 LEU A 19 -18.918 8.524 15.955 1.00 4.52 H new ATOM 91 N ASP A 20 -17.427 9.096 10.804 1.00 43.45 N ATOM 92 CA ASP A 20 -17.437 8.282 9.598 1.00 5.31 C ATOM 93 C ASP A 20 -16.116 7.543 9.444 1.00 73.24 C ATOM 94 O ASP A 20 -16.100 6.339 9.156 1.00 1.44 O ATOM 95 CB ASP A 20 -17.716 9.162 8.370 1.00 72.43 C ATOM 96 CG ASP A 20 -18.052 8.388 7.123 1.00 0.15 C ATOM 97 OD1 ASP A 20 -19.231 8.001 6.959 1.00 41.12 O ATOM 98 OD2 ASP A 20 -17.189 8.208 6.266 1.00 12.41 O ATOM 0 H ASP A 20 -17.456 10.100 10.628 1.00 43.45 H new ATOM 0 HA ASP A 20 -18.232 7.541 9.680 1.00 5.31 H new ATOM 0 HB2 ASP A 20 -18.541 9.836 8.600 1.00 72.43 H new ATOM 0 HB3 ASP A 20 -16.842 9.783 8.175 1.00 72.43 H new ATOM 103 N VAL A 21 -15.006 8.246 9.708 1.00 70.13 N ATOM 104 CA VAL A 21 -13.689 7.641 9.586 1.00 31.05 C ATOM 105 C VAL A 21 -13.410 6.636 10.689 1.00 12.43 C ATOM 106 O VAL A 21 -12.881 5.548 10.425 1.00 64.52 O ATOM 107 CB VAL A 21 -12.507 8.653 9.447 1.00 61.03 C ATOM 108 CG1 VAL A 21 -12.689 9.505 8.229 1.00 35.14 C ATOM 109 CG2 VAL A 21 -12.328 9.524 10.681 1.00 74.00 C ATOM 0 H VAL A 21 -15.001 9.222 10.003 1.00 70.13 H new ATOM 0 HA VAL A 21 -13.735 7.111 8.635 1.00 31.05 H new ATOM 0 HB VAL A 21 -11.597 8.062 9.343 1.00 61.03 H new ATOM 0 HG11 VAL A 21 -11.857 10.205 8.147 1.00 35.14 H new ATOM 0 HG12 VAL A 21 -12.719 8.871 7.343 1.00 35.14 H new ATOM 0 HG13 VAL A 21 -13.623 10.060 8.310 1.00 35.14 H new ATOM 0 HG21 VAL A 21 -11.493 10.207 10.526 1.00 74.00 H new ATOM 0 HG22 VAL A 21 -13.238 10.098 10.856 1.00 74.00 H new ATOM 0 HG23 VAL A 21 -12.125 8.892 11.546 1.00 74.00 H new ATOM 119 N LYS A 22 -13.788 6.964 11.920 1.00 52.43 N ATOM 120 CA LYS A 22 -13.576 6.027 13.010 1.00 14.23 C ATOM 121 C LYS A 22 -14.483 4.821 12.847 1.00 3.10 C ATOM 122 O LYS A 22 -14.098 3.707 13.182 1.00 20.54 O ATOM 123 CB LYS A 22 -13.750 6.689 14.398 1.00 21.32 C ATOM 124 CG LYS A 22 -15.121 7.308 14.631 1.00 20.53 C ATOM 125 CD LYS A 22 -15.246 8.037 15.976 1.00 55.44 C ATOM 126 CE LYS A 22 -15.477 7.111 17.182 1.00 2.03 C ATOM 127 NZ LYS A 22 -14.377 6.157 17.437 1.00 24.15 N ATOM 0 H LYS A 22 -14.230 7.846 12.181 1.00 52.43 H new ATOM 0 HA LYS A 22 -12.540 5.691 12.962 1.00 14.23 H new ATOM 0 HB2 LYS A 22 -13.566 5.941 15.169 1.00 21.32 H new ATOM 0 HB3 LYS A 22 -12.991 7.462 14.516 1.00 21.32 H new ATOM 0 HG2 LYS A 22 -15.335 8.010 13.825 1.00 20.53 H new ATOM 0 HG3 LYS A 22 -15.877 6.525 14.580 1.00 20.53 H new ATOM 0 HD2 LYS A 22 -14.339 8.616 16.147 1.00 55.44 H new ATOM 0 HD3 LYS A 22 -16.071 8.747 15.915 1.00 55.44 H new ATOM 0 HE2 LYS A 22 -15.625 7.723 18.072 1.00 2.03 H new ATOM 0 HE3 LYS A 22 -16.399 6.551 17.024 1.00 2.03 H new ATOM 0 HZ1 LYS A 22 -14.339 5.935 18.452 1.00 24.15 H new ATOM 0 HZ2 LYS A 22 -14.543 5.284 16.897 1.00 24.15 H new ATOM 0 HZ3 LYS A 22 -13.474 6.581 17.141 1.00 24.15 H new ATOM 141 N GLY A 23 -15.654 5.054 12.261 1.00 10.43 N ATOM 142 CA GLY A 23 -16.618 4.007 12.062 1.00 50.31 C ATOM 143 C GLY A 23 -16.146 2.992 11.057 1.00 40.32 C ATOM 144 O GLY A 23 -16.003 1.794 11.389 1.00 24.31 O ATOM 0 H GLY A 23 -15.948 5.969 11.918 1.00 10.43 H new ATOM 0 HA2 GLY A 23 -16.817 3.511 13.012 1.00 50.31 H new ATOM 0 HA3 GLY A 23 -17.560 4.440 11.725 1.00 50.31 H new ATOM 148 N LEU A 24 -15.835 3.450 9.838 1.00 22.33 N ATOM 149 CA LEU A 24 -15.426 2.513 8.820 1.00 55.04 C ATOM 150 C LEU A 24 -14.066 1.924 9.163 1.00 71.40 C ATOM 151 O LEU A 24 -13.827 0.768 8.901 1.00 51.24 O ATOM 152 CB LEU A 24 -15.463 3.086 7.362 1.00 44.31 C ATOM 153 CG LEU A 24 -14.145 3.614 6.735 1.00 70.51 C ATOM 154 CD1 LEU A 24 -14.314 3.816 5.238 1.00 22.22 C ATOM 155 CD2 LEU A 24 -13.715 4.918 7.358 1.00 43.05 C ATOM 0 H LEU A 24 -15.861 4.429 9.552 1.00 22.33 H new ATOM 0 HA LEU A 24 -16.170 1.717 8.819 1.00 55.04 H new ATOM 0 HB2 LEU A 24 -15.849 2.303 6.709 1.00 44.31 H new ATOM 0 HB3 LEU A 24 -16.187 3.901 7.345 1.00 44.31 H new ATOM 0 HG LEU A 24 -13.376 2.865 6.926 1.00 70.51 H new ATOM 0 HD11 LEU A 24 -13.381 4.187 4.813 1.00 22.22 H new ATOM 0 HD12 LEU A 24 -14.574 2.867 4.770 1.00 22.22 H new ATOM 0 HD13 LEU A 24 -15.108 4.540 5.056 1.00 22.22 H new ATOM 0 HD21 LEU A 24 -12.789 5.255 6.893 1.00 43.05 H new ATOM 0 HD22 LEU A 24 -14.492 5.668 7.206 1.00 43.05 H new ATOM 0 HD23 LEU A 24 -13.553 4.775 8.426 1.00 43.05 H new ATOM 167 N GLY A 25 -13.203 2.724 9.810 1.00 70.23 N ATOM 168 CA GLY A 25 -11.892 2.246 10.197 1.00 52.12 C ATOM 169 C GLY A 25 -11.974 1.137 11.227 1.00 12.14 C ATOM 170 O GLY A 25 -11.239 0.147 11.149 1.00 50.40 O ATOM 0 H GLY A 25 -13.398 3.691 10.068 1.00 70.23 H new ATOM 0 HA2 GLY A 25 -11.363 1.884 9.315 1.00 52.12 H new ATOM 0 HA3 GLY A 25 -11.309 3.074 10.601 1.00 52.12 H new ATOM 174 N TYR A 26 -12.896 1.285 12.165 1.00 62.31 N ATOM 175 CA TYR A 26 -13.084 0.312 13.224 1.00 75.04 C ATOM 176 C TYR A 26 -13.605 -0.985 12.638 1.00 52.04 C ATOM 177 O TYR A 26 -13.084 -2.062 12.935 1.00 11.22 O ATOM 178 CB TYR A 26 -14.076 0.845 14.260 1.00 63.32 C ATOM 179 CG TYR A 26 -14.144 0.050 15.539 1.00 1.13 C ATOM 180 CD1 TYR A 26 -13.323 0.378 16.597 1.00 72.22 C ATOM 181 CD2 TYR A 26 -15.030 -1.015 15.698 1.00 54.45 C ATOM 182 CE1 TYR A 26 -13.372 -0.317 17.773 1.00 72.24 C ATOM 183 CE2 TYR A 26 -15.083 -1.724 16.883 1.00 15.43 C ATOM 184 CZ TYR A 26 -14.250 -1.366 17.919 1.00 23.14 C ATOM 185 OH TYR A 26 -14.286 -2.061 19.118 1.00 35.01 O ATOM 0 H TYR A 26 -13.532 2.081 12.212 1.00 62.31 H new ATOM 0 HA TYR A 26 -12.127 0.131 13.712 1.00 75.04 H new ATOM 0 HB2 TYR A 26 -13.809 1.874 14.502 1.00 63.32 H new ATOM 0 HB3 TYR A 26 -15.069 0.871 13.812 1.00 63.32 H new ATOM 0 HD1 TYR A 26 -12.629 1.199 16.495 1.00 72.22 H new ATOM 0 HD2 TYR A 26 -15.684 -1.290 14.884 1.00 54.45 H new ATOM 0 HE1 TYR A 26 -12.720 -0.042 18.589 1.00 72.24 H new ATOM 0 HE2 TYR A 26 -15.770 -2.550 16.995 1.00 15.43 H new ATOM 0 HH TYR A 26 -14.958 -2.772 19.064 1.00 35.01 H new ATOM 195 N ASP A 27 -14.618 -0.864 11.792 1.00 52.42 N ATOM 196 CA ASP A 27 -15.250 -2.023 11.146 1.00 75.53 C ATOM 197 C ASP A 27 -14.237 -2.763 10.281 1.00 24.33 C ATOM 198 O ASP A 27 -14.135 -3.984 10.326 1.00 51.42 O ATOM 199 CB ASP A 27 -16.442 -1.565 10.301 1.00 52.42 C ATOM 200 CG ASP A 27 -17.172 -2.707 9.629 1.00 2.01 C ATOM 201 OD1 ASP A 27 -17.872 -3.471 10.322 1.00 33.51 O ATOM 202 OD2 ASP A 27 -17.122 -2.819 8.398 1.00 50.10 O ATOM 0 H ASP A 27 -15.029 0.032 11.530 1.00 52.42 H new ATOM 0 HA ASP A 27 -15.609 -2.705 11.917 1.00 75.53 H new ATOM 0 HB2 ASP A 27 -17.140 -1.020 10.936 1.00 52.42 H new ATOM 0 HB3 ASP A 27 -16.092 -0.868 9.539 1.00 52.42 H new ATOM 207 N PHE A 28 -13.446 -1.988 9.576 1.00 63.24 N ATOM 208 CA PHE A 28 -12.396 -2.458 8.690 1.00 71.24 C ATOM 209 C PHE A 28 -11.355 -3.244 9.485 1.00 23.22 C ATOM 210 O PHE A 28 -11.068 -4.401 9.184 1.00 11.42 O ATOM 211 CB PHE A 28 -11.804 -1.199 8.027 1.00 62.12 C ATOM 212 CG PHE A 28 -10.556 -1.298 7.211 1.00 71.24 C ATOM 213 CD1 PHE A 28 -9.330 -1.267 7.824 1.00 53.13 C ATOM 214 CD2 PHE A 28 -10.607 -1.330 5.829 1.00 24.23 C ATOM 215 CE1 PHE A 28 -8.177 -1.269 7.094 1.00 51.24 C ATOM 216 CE2 PHE A 28 -9.450 -1.346 5.084 1.00 35.11 C ATOM 217 CZ PHE A 28 -8.235 -1.311 5.713 1.00 4.22 C ATOM 0 H PHE A 28 -13.516 -0.971 9.602 1.00 63.24 H new ATOM 0 HA PHE A 28 -12.769 -3.140 7.926 1.00 71.24 H new ATOM 0 HB2 PHE A 28 -12.578 -0.777 7.385 1.00 62.12 H new ATOM 0 HB3 PHE A 28 -11.616 -0.474 8.819 1.00 62.12 H new ATOM 0 HD1 PHE A 28 -9.276 -1.241 8.902 1.00 53.13 H new ATOM 0 HD2 PHE A 28 -11.565 -1.343 5.330 1.00 24.23 H new ATOM 0 HE1 PHE A 28 -7.220 -1.238 7.594 1.00 51.24 H new ATOM 0 HE2 PHE A 28 -9.501 -1.386 4.006 1.00 35.11 H new ATOM 0 HZ PHE A 28 -7.324 -1.316 5.133 1.00 4.22 H new ATOM 227 N ILE A 29 -10.843 -2.641 10.530 1.00 40.14 N ATOM 228 CA ILE A 29 -9.841 -3.286 11.347 1.00 22.44 C ATOM 229 C ILE A 29 -10.390 -4.508 12.071 1.00 53.52 C ATOM 230 O ILE A 29 -9.676 -5.506 12.251 1.00 5.11 O ATOM 231 CB ILE A 29 -9.115 -2.276 12.289 1.00 30.40 C ATOM 232 CG1 ILE A 29 -8.086 -1.449 11.493 1.00 23.42 C ATOM 233 CG2 ILE A 29 -8.464 -2.935 13.511 1.00 13.01 C ATOM 234 CD1 ILE A 29 -7.030 -2.289 10.780 1.00 15.24 C ATOM 0 H ILE A 29 -11.103 -1.703 10.836 1.00 40.14 H new ATOM 0 HA ILE A 29 -9.071 -3.667 10.676 1.00 22.44 H new ATOM 0 HB ILE A 29 -9.884 -1.613 12.685 1.00 30.40 H new ATOM 0 HG12 ILE A 29 -8.614 -0.845 10.755 1.00 23.42 H new ATOM 0 HG13 ILE A 29 -7.587 -0.758 12.173 1.00 23.42 H new ATOM 0 HG21 ILE A 29 -7.978 -2.173 14.120 1.00 13.01 H new ATOM 0 HG22 ILE A 29 -9.228 -3.440 14.102 1.00 13.01 H new ATOM 0 HG23 ILE A 29 -7.722 -3.662 13.180 1.00 13.01 H new ATOM 0 HD11 ILE A 29 -6.345 -1.633 10.243 1.00 15.24 H new ATOM 0 HD12 ILE A 29 -6.474 -2.873 11.513 1.00 15.24 H new ATOM 0 HD13 ILE A 29 -7.516 -2.962 10.074 1.00 15.24 H new ATOM 246 N ASP A 30 -11.653 -4.465 12.431 1.00 12.12 N ATOM 247 CA ASP A 30 -12.272 -5.608 13.064 1.00 51.41 C ATOM 248 C ASP A 30 -12.376 -6.757 12.098 1.00 34.40 C ATOM 249 O ASP A 30 -11.952 -7.860 12.414 1.00 44.52 O ATOM 250 CB ASP A 30 -13.646 -5.293 13.653 1.00 13.52 C ATOM 251 CG ASP A 30 -14.254 -6.506 14.334 1.00 14.31 C ATOM 252 OD1 ASP A 30 -13.800 -6.867 15.440 1.00 35.50 O ATOM 253 OD2 ASP A 30 -15.214 -7.114 13.789 1.00 2.05 O ATOM 0 H ASP A 30 -12.266 -3.661 12.298 1.00 12.12 H new ATOM 0 HA ASP A 30 -11.625 -5.887 13.895 1.00 51.41 H new ATOM 0 HB2 ASP A 30 -13.556 -4.478 14.372 1.00 13.52 H new ATOM 0 HB3 ASP A 30 -14.311 -4.948 12.862 1.00 13.52 H new ATOM 258 N LEU A 31 -12.845 -6.493 10.891 1.00 74.05 N ATOM 259 CA LEU A 31 -13.032 -7.559 9.942 1.00 11.20 C ATOM 260 C LEU A 31 -11.699 -8.128 9.452 1.00 32.02 C ATOM 261 O LEU A 31 -11.612 -9.296 9.081 1.00 42.25 O ATOM 262 CB LEU A 31 -14.013 -7.166 8.814 1.00 30.54 C ATOM 263 CG LEU A 31 -13.696 -5.930 7.971 1.00 44.33 C ATOM 264 CD1 LEU A 31 -12.565 -6.187 7.006 1.00 64.32 C ATOM 265 CD2 LEU A 31 -14.933 -5.453 7.244 1.00 4.11 C ATOM 0 H LEU A 31 -13.098 -5.564 10.555 1.00 74.05 H new ATOM 0 HA LEU A 31 -13.518 -8.385 10.460 1.00 11.20 H new ATOM 0 HB2 LEU A 31 -14.098 -8.016 8.137 1.00 30.54 H new ATOM 0 HB3 LEU A 31 -14.994 -7.018 9.265 1.00 30.54 H new ATOM 0 HG LEU A 31 -13.368 -5.141 8.648 1.00 44.33 H new ATOM 0 HD11 LEU A 31 -12.370 -5.285 6.426 1.00 64.32 H new ATOM 0 HD12 LEU A 31 -11.668 -6.462 7.561 1.00 64.32 H new ATOM 0 HD13 LEU A 31 -12.838 -7.000 6.333 1.00 64.32 H new ATOM 0 HD21 LEU A 31 -14.689 -4.573 6.649 1.00 4.11 H new ATOM 0 HD22 LEU A 31 -15.298 -6.244 6.589 1.00 4.11 H new ATOM 0 HD23 LEU A 31 -15.706 -5.198 7.969 1.00 4.11 H new ATOM 277 N VAL A 32 -10.653 -7.301 9.492 1.00 10.13 N ATOM 278 CA VAL A 32 -9.313 -7.748 9.159 1.00 40.22 C ATOM 279 C VAL A 32 -8.755 -8.672 10.273 1.00 11.23 C ATOM 280 O VAL A 32 -7.917 -9.551 10.027 1.00 52.11 O ATOM 281 CB VAL A 32 -8.360 -6.528 8.911 1.00 12.31 C ATOM 282 CG1 VAL A 32 -6.912 -6.963 8.772 1.00 43.02 C ATOM 283 CG2 VAL A 32 -8.773 -5.789 7.652 1.00 2.13 C ATOM 0 H VAL A 32 -10.716 -6.317 9.753 1.00 10.13 H new ATOM 0 HA VAL A 32 -9.365 -8.323 8.234 1.00 40.22 H new ATOM 0 HB VAL A 32 -8.444 -5.872 9.778 1.00 12.31 H new ATOM 0 HG11 VAL A 32 -6.284 -6.088 8.601 1.00 43.02 H new ATOM 0 HG12 VAL A 32 -6.594 -7.465 9.685 1.00 43.02 H new ATOM 0 HG13 VAL A 32 -6.817 -7.648 7.929 1.00 43.02 H new ATOM 0 HG21 VAL A 32 -8.104 -4.944 7.490 1.00 2.13 H new ATOM 0 HG22 VAL A 32 -8.717 -6.465 6.799 1.00 2.13 H new ATOM 0 HG23 VAL A 32 -9.795 -5.427 7.762 1.00 2.13 H new ATOM 293 N THR A 33 -9.266 -8.525 11.473 1.00 14.22 N ATOM 294 CA THR A 33 -8.773 -9.306 12.589 1.00 52.33 C ATOM 295 C THR A 33 -9.785 -10.370 12.986 1.00 44.42 C ATOM 296 O THR A 33 -9.637 -11.049 14.012 1.00 31.41 O ATOM 297 CB THR A 33 -8.454 -8.387 13.790 1.00 0.43 C ATOM 298 OG1 THR A 33 -9.581 -7.528 14.064 1.00 25.11 O ATOM 299 CG2 THR A 33 -7.230 -7.529 13.498 1.00 73.03 C ATOM 0 H THR A 33 -10.019 -7.876 11.703 1.00 14.22 H new ATOM 0 HA THR A 33 -7.854 -9.805 12.281 1.00 52.33 H new ATOM 0 HB THR A 33 -8.250 -9.015 14.657 1.00 0.43 H new ATOM 0 HG1 THR A 33 -9.606 -6.802 13.407 1.00 25.11 H new ATOM 0 HG21 THR A 33 -7.021 -6.889 14.355 1.00 73.03 H new ATOM 0 HG22 THR A 33 -6.371 -8.173 13.308 1.00 73.03 H new ATOM 0 HG23 THR A 33 -7.420 -6.910 12.621 1.00 73.03 H new ATOM 307 N LYS A 34 -10.794 -10.525 12.149 1.00 31.33 N ATOM 308 CA LYS A 34 -11.887 -11.410 12.435 1.00 41.20 C ATOM 309 C LYS A 34 -11.476 -12.882 12.384 1.00 12.55 C ATOM 310 O LYS A 34 -10.477 -13.261 11.741 1.00 62.01 O ATOM 311 CB LYS A 34 -13.063 -11.143 11.502 1.00 51.33 C ATOM 312 CG LYS A 34 -14.427 -11.349 12.152 1.00 30.43 C ATOM 313 CD LYS A 34 -14.603 -10.382 13.321 1.00 25.20 C ATOM 314 CE LYS A 34 -15.997 -10.418 13.899 1.00 64.43 C ATOM 315 NZ LYS A 34 -16.159 -9.389 14.943 1.00 74.23 N ATOM 0 H LYS A 34 -10.871 -10.038 11.256 1.00 31.33 H new ATOM 0 HA LYS A 34 -12.201 -11.203 13.458 1.00 41.20 H new ATOM 0 HB2 LYS A 34 -12.997 -10.119 11.135 1.00 51.33 H new ATOM 0 HB3 LYS A 34 -12.982 -11.798 10.635 1.00 51.33 H new ATOM 0 HG2 LYS A 34 -15.216 -11.191 11.417 1.00 30.43 H new ATOM 0 HG3 LYS A 34 -14.520 -12.377 12.503 1.00 30.43 H new ATOM 0 HD2 LYS A 34 -13.883 -10.627 14.102 1.00 25.20 H new ATOM 0 HD3 LYS A 34 -14.378 -9.369 12.987 1.00 25.20 H new ATOM 0 HE2 LYS A 34 -16.728 -10.257 13.107 1.00 64.43 H new ATOM 0 HE3 LYS A 34 -16.195 -11.404 14.320 1.00 64.43 H new ATOM 0 HZ1 LYS A 34 -17.089 -9.498 15.396 1.00 74.23 H new ATOM 0 HZ2 LYS A 34 -15.411 -9.498 15.657 1.00 74.23 H new ATOM 0 HZ3 LYS A 34 -16.092 -8.444 14.513 1.00 74.23 H new ATOM 329 N SER A 35 -12.257 -13.670 13.075 1.00 2.35 N ATOM 330 CA SER A 35 -12.082 -15.073 13.242 1.00 21.31 C ATOM 331 C SER A 35 -12.186 -15.861 11.909 1.00 71.24 C ATOM 332 O SER A 35 -12.871 -15.438 10.958 1.00 32.22 O ATOM 333 CB SER A 35 -13.188 -15.541 14.181 1.00 11.24 C ATOM 334 OG SER A 35 -13.297 -14.672 15.305 1.00 0.34 O ATOM 0 H SER A 35 -13.081 -13.319 13.563 1.00 2.35 H new ATOM 0 HA SER A 35 -11.083 -15.259 13.635 1.00 21.31 H new ATOM 0 HB2 SER A 35 -14.137 -15.572 13.646 1.00 11.24 H new ATOM 0 HB3 SER A 35 -12.979 -16.556 14.519 1.00 11.24 H new ATOM 0 HG SER A 35 -14.013 -14.988 15.895 1.00 0.34 H new ATOM 340 N PRO A 36 -11.525 -17.051 11.865 1.00 44.51 N ATOM 341 CA PRO A 36 -11.604 -18.033 10.754 1.00 52.13 C ATOM 342 C PRO A 36 -13.038 -18.533 10.501 1.00 71.12 C ATOM 343 O PRO A 36 -13.273 -19.371 9.620 1.00 55.41 O ATOM 344 CB PRO A 36 -10.733 -19.199 11.189 1.00 4.24 C ATOM 345 CG PRO A 36 -9.960 -18.736 12.363 1.00 53.24 C ATOM 346 CD PRO A 36 -10.588 -17.491 12.900 1.00 1.43 C ATOM 0 HA PRO A 36 -11.278 -17.571 9.822 1.00 52.13 H new ATOM 0 HB2 PRO A 36 -11.344 -20.065 11.445 1.00 4.24 H new ATOM 0 HB3 PRO A 36 -10.066 -19.506 10.383 1.00 4.24 H new ATOM 0 HG2 PRO A 36 -9.942 -19.510 13.131 1.00 53.24 H new ATOM 0 HG3 PRO A 36 -8.925 -18.544 12.080 1.00 53.24 H new ATOM 0 HD2 PRO A 36 -11.104 -17.685 13.840 1.00 1.43 H new ATOM 0 HD3 PRO A 36 -9.837 -16.727 13.101 1.00 1.43 H new ATOM 354 N ASP A 37 -13.950 -18.110 11.357 1.00 41.05 N ATOM 355 CA ASP A 37 -15.398 -18.356 11.207 1.00 4.22 C ATOM 356 C ASP A 37 -15.901 -17.865 9.817 1.00 31.21 C ATOM 357 O ASP A 37 -16.884 -18.381 9.271 1.00 43.43 O ATOM 358 CB ASP A 37 -16.155 -17.634 12.327 1.00 63.42 C ATOM 359 CG ASP A 37 -17.644 -17.876 12.295 1.00 53.22 C ATOM 360 OD1 ASP A 37 -18.404 -16.964 11.918 1.00 51.42 O ATOM 361 OD2 ASP A 37 -18.081 -18.980 12.657 1.00 74.52 O ATOM 0 H ASP A 37 -13.716 -17.576 12.194 1.00 41.05 H new ATOM 0 HA ASP A 37 -15.582 -19.428 11.274 1.00 4.22 H new ATOM 0 HB2 ASP A 37 -15.762 -17.960 13.290 1.00 63.42 H new ATOM 0 HB3 ASP A 37 -15.966 -16.563 12.251 1.00 63.42 H new ATOM 366 N SER A 38 -15.218 -16.885 9.254 1.00 43.51 N ATOM 367 CA SER A 38 -15.432 -16.505 7.873 1.00 72.00 C ATOM 368 C SER A 38 -14.287 -17.139 7.105 1.00 34.53 C ATOM 369 O SER A 38 -13.260 -17.432 7.718 1.00 22.24 O ATOM 370 CB SER A 38 -15.435 -14.968 7.691 1.00 14.10 C ATOM 371 OG SER A 38 -15.653 -14.618 6.322 1.00 21.25 O ATOM 0 H SER A 38 -14.507 -16.336 9.737 1.00 43.51 H new ATOM 0 HA SER A 38 -16.405 -16.843 7.516 1.00 72.00 H new ATOM 0 HB2 SER A 38 -16.214 -14.525 8.312 1.00 14.10 H new ATOM 0 HB3 SER A 38 -14.484 -14.556 8.029 1.00 14.10 H new ATOM 0 HG SER A 38 -16.078 -13.736 6.273 1.00 21.25 H new ATOM 377 N VAL A 39 -14.439 -17.373 5.800 1.00 71.21 N ATOM 378 CA VAL A 39 -13.387 -18.043 5.014 1.00 74.33 C ATOM 379 C VAL A 39 -12.016 -17.400 5.227 1.00 30.52 C ATOM 380 O VAL A 39 -11.021 -18.101 5.433 1.00 32.43 O ATOM 381 CB VAL A 39 -13.718 -18.162 3.487 1.00 63.25 C ATOM 382 CG1 VAL A 39 -14.011 -16.815 2.865 1.00 75.11 C ATOM 383 CG2 VAL A 39 -12.574 -18.852 2.740 1.00 35.31 C ATOM 0 H VAL A 39 -15.268 -17.114 5.265 1.00 71.21 H new ATOM 0 HA VAL A 39 -13.351 -19.062 5.399 1.00 74.33 H new ATOM 0 HB VAL A 39 -14.619 -18.769 3.398 1.00 63.25 H new ATOM 0 HG11 VAL A 39 -14.235 -16.944 1.806 1.00 75.11 H new ATOM 0 HG12 VAL A 39 -14.867 -16.362 3.365 1.00 75.11 H new ATOM 0 HG13 VAL A 39 -13.142 -16.167 2.975 1.00 75.11 H new ATOM 0 HG21 VAL A 39 -12.823 -18.925 1.681 1.00 35.31 H new ATOM 0 HG22 VAL A 39 -11.659 -18.271 2.859 1.00 35.31 H new ATOM 0 HG23 VAL A 39 -12.424 -19.852 3.147 1.00 35.31 H new ATOM 393 N ASN A 40 -11.980 -16.088 5.268 1.00 53.51 N ATOM 394 CA ASN A 40 -10.749 -15.379 5.483 1.00 12.24 C ATOM 395 C ASN A 40 -11.088 -13.941 5.794 1.00 44.40 C ATOM 396 O ASN A 40 -12.109 -13.451 5.329 1.00 22.44 O ATOM 397 CB ASN A 40 -9.882 -15.443 4.226 1.00 54.52 C ATOM 398 CG ASN A 40 -8.452 -15.085 4.502 1.00 30.33 C ATOM 399 OD1 ASN A 40 -8.068 -13.931 4.450 1.00 2.22 O ATOM 400 ND2 ASN A 40 -7.660 -16.085 4.795 1.00 43.13 N ATOM 0 H ASN A 40 -12.798 -15.490 5.154 1.00 53.51 H new ATOM 0 HA ASN A 40 -10.196 -15.828 6.308 1.00 12.24 H new ATOM 0 HB2 ASN A 40 -9.928 -16.448 3.806 1.00 54.52 H new ATOM 0 HB3 ASN A 40 -10.285 -14.765 3.474 1.00 54.52 H new ATOM 0 HD21 ASN A 40 -6.674 -15.914 4.992 1.00 43.13 H new ATOM 0 HD22 ASN A 40 -8.029 -17.035 4.826 1.00 43.13 H new ATOM 407 N SER A 41 -10.259 -13.271 6.559 1.00 70.33 N ATOM 408 CA SER A 41 -10.479 -11.878 6.925 1.00 74.04 C ATOM 409 C SER A 41 -10.518 -10.980 5.661 1.00 31.14 C ATOM 410 O SER A 41 -11.292 -10.003 5.579 1.00 73.31 O ATOM 411 CB SER A 41 -9.346 -11.470 7.840 1.00 70.34 C ATOM 412 OG SER A 41 -9.141 -12.482 8.829 1.00 61.23 O ATOM 0 H SER A 41 -9.407 -13.672 6.951 1.00 70.33 H new ATOM 0 HA SER A 41 -11.438 -11.760 7.430 1.00 74.04 H new ATOM 0 HB2 SER A 41 -8.434 -11.322 7.262 1.00 70.34 H new ATOM 0 HB3 SER A 41 -9.577 -10.519 8.320 1.00 70.34 H new ATOM 0 HG SER A 41 -8.406 -12.217 9.420 1.00 61.23 H new ATOM 418 N GLU A 42 -9.745 -11.382 4.657 1.00 22.14 N ATOM 419 CA GLU A 42 -9.653 -10.678 3.390 1.00 3.14 C ATOM 420 C GLU A 42 -11.014 -10.716 2.660 1.00 64.13 C ATOM 421 O GLU A 42 -11.329 -9.860 1.854 1.00 31.42 O ATOM 422 CB GLU A 42 -8.568 -11.339 2.533 1.00 32.23 C ATOM 423 CG GLU A 42 -8.200 -10.573 1.284 1.00 12.43 C ATOM 424 CD GLU A 42 -7.593 -9.233 1.603 1.00 1.00 C ATOM 425 OE1 GLU A 42 -8.357 -8.274 1.770 1.00 13.31 O ATOM 426 OE2 GLU A 42 -6.354 -9.151 1.694 1.00 73.22 O ATOM 0 H GLU A 42 -9.159 -12.216 4.704 1.00 22.14 H new ATOM 0 HA GLU A 42 -9.391 -9.635 3.567 1.00 3.14 H new ATOM 0 HB2 GLU A 42 -7.673 -11.469 3.141 1.00 32.23 H new ATOM 0 HB3 GLU A 42 -8.906 -12.335 2.246 1.00 32.23 H new ATOM 0 HG2 GLU A 42 -7.495 -11.159 0.694 1.00 12.43 H new ATOM 0 HG3 GLU A 42 -9.090 -10.431 0.670 1.00 12.43 H new ATOM 433 N HIS A 43 -11.844 -11.701 3.002 1.00 41.40 N ATOM 434 CA HIS A 43 -13.165 -11.842 2.391 1.00 54.44 C ATOM 435 C HIS A 43 -14.030 -10.673 2.816 1.00 22.43 C ATOM 436 O HIS A 43 -14.692 -10.010 1.990 1.00 44.33 O ATOM 437 CB HIS A 43 -13.801 -13.158 2.854 1.00 14.30 C ATOM 438 CG HIS A 43 -15.156 -13.468 2.294 1.00 32.24 C ATOM 439 ND1 HIS A 43 -16.324 -13.356 3.013 1.00 42.33 N ATOM 440 CD2 HIS A 43 -15.503 -13.967 1.086 1.00 13.22 C ATOM 441 CE1 HIS A 43 -17.321 -13.792 2.243 1.00 40.12 C ATOM 442 NE2 HIS A 43 -16.873 -14.176 1.055 1.00 22.43 N ATOM 0 H HIS A 43 -11.625 -12.413 3.699 1.00 41.40 H new ATOM 0 HA HIS A 43 -13.076 -11.853 1.305 1.00 54.44 H new ATOM 0 HB2 HIS A 43 -13.127 -13.975 2.594 1.00 14.30 H new ATOM 0 HB3 HIS A 43 -13.875 -13.139 3.941 1.00 14.30 H new ATOM 0 HD1 HIS A 43 -16.411 -13.002 3.966 1.00 42.33 H new ATOM 0 HD2 HIS A 43 -14.821 -14.170 0.274 1.00 13.22 H new ATOM 0 HE1 HIS A 43 -18.357 -13.828 2.546 1.00 40.12 H new ATOM 450 N GLU A 44 -13.974 -10.394 4.100 1.00 50.05 N ATOM 451 CA GLU A 44 -14.737 -9.360 4.691 1.00 74.05 C ATOM 452 C GLU A 44 -14.179 -8.024 4.260 1.00 52.02 C ATOM 453 O GLU A 44 -14.927 -7.061 4.074 1.00 54.32 O ATOM 454 CB GLU A 44 -14.655 -9.514 6.187 1.00 3.14 C ATOM 455 CG GLU A 44 -14.984 -10.918 6.667 1.00 63.31 C ATOM 456 CD GLU A 44 -16.404 -11.327 6.371 1.00 52.31 C ATOM 457 OE1 GLU A 44 -16.624 -12.188 5.496 1.00 43.21 O ATOM 458 OE2 GLU A 44 -17.330 -10.791 7.009 1.00 51.30 O ATOM 0 H GLU A 44 -13.381 -10.899 4.759 1.00 50.05 H new ATOM 0 HA GLU A 44 -15.779 -9.415 4.377 1.00 74.05 H new ATOM 0 HB2 GLU A 44 -13.650 -9.251 6.518 1.00 3.14 H new ATOM 0 HB3 GLU A 44 -15.340 -8.808 6.656 1.00 3.14 H new ATOM 0 HG2 GLU A 44 -14.303 -11.626 6.195 1.00 63.31 H new ATOM 0 HG3 GLU A 44 -14.812 -10.978 7.742 1.00 63.31 H new ATOM 465 N LEU A 45 -12.859 -7.970 4.074 1.00 41.42 N ATOM 466 CA LEU A 45 -12.220 -6.768 3.633 1.00 43.33 C ATOM 467 C LEU A 45 -12.605 -6.461 2.192 1.00 23.20 C ATOM 468 O LEU A 45 -12.950 -5.322 1.868 1.00 50.31 O ATOM 469 CB LEU A 45 -10.709 -6.849 3.805 1.00 61.50 C ATOM 470 CG LEU A 45 -9.971 -5.549 3.528 1.00 24.21 C ATOM 471 CD1 LEU A 45 -10.461 -4.470 4.456 1.00 54.50 C ATOM 472 CD2 LEU A 45 -8.469 -5.720 3.645 1.00 72.13 C ATOM 0 H LEU A 45 -12.227 -8.755 4.227 1.00 41.42 H new ATOM 0 HA LEU A 45 -12.568 -5.945 4.258 1.00 43.33 H new ATOM 0 HB2 LEU A 45 -10.489 -7.167 4.824 1.00 61.50 H new ATOM 0 HB3 LEU A 45 -10.321 -7.621 3.140 1.00 61.50 H new ATOM 0 HG LEU A 45 -10.182 -5.254 2.500 1.00 24.21 H new ATOM 0 HD11 LEU A 45 -9.927 -3.543 4.250 1.00 54.50 H new ATOM 0 HD12 LEU A 45 -11.529 -4.315 4.302 1.00 54.50 H new ATOM 0 HD13 LEU A 45 -10.283 -4.770 5.489 1.00 54.50 H new ATOM 0 HD21 LEU A 45 -7.977 -4.769 3.440 1.00 72.13 H new ATOM 0 HD22 LEU A 45 -8.218 -6.048 4.654 1.00 72.13 H new ATOM 0 HD23 LEU A 45 -8.131 -6.466 2.926 1.00 72.13 H new ATOM 484 N ALA A 46 -12.599 -7.485 1.348 1.00 64.45 N ATOM 485 CA ALA A 46 -13.031 -7.360 -0.041 1.00 74.34 C ATOM 486 C ALA A 46 -14.476 -6.894 -0.101 1.00 20.40 C ATOM 487 O ALA A 46 -14.855 -6.090 -0.946 1.00 44.35 O ATOM 488 CB ALA A 46 -12.881 -8.688 -0.774 1.00 52.40 C ATOM 0 H ALA A 46 -12.295 -8.424 1.605 1.00 64.45 H new ATOM 0 HA ALA A 46 -12.398 -6.620 -0.531 1.00 74.34 H new ATOM 0 HB1 ALA A 46 -13.209 -8.572 -1.807 1.00 52.40 H new ATOM 0 HB2 ALA A 46 -11.836 -8.997 -0.757 1.00 52.40 H new ATOM 0 HB3 ALA A 46 -13.491 -9.446 -0.283 1.00 52.40 H new ATOM 494 N HIS A 47 -15.261 -7.385 0.835 1.00 72.22 N ATOM 495 CA HIS A 47 -16.666 -7.021 0.940 1.00 64.42 C ATOM 496 C HIS A 47 -16.802 -5.561 1.389 1.00 32.11 C ATOM 497 O HIS A 47 -17.692 -4.833 0.936 1.00 34.44 O ATOM 498 CB HIS A 47 -17.384 -7.957 1.930 1.00 54.02 C ATOM 499 CG HIS A 47 -18.854 -7.693 2.064 1.00 61.23 C ATOM 500 ND1 HIS A 47 -19.467 -7.311 3.235 1.00 0.13 N ATOM 501 CD2 HIS A 47 -19.832 -7.764 1.135 1.00 31.34 C ATOM 502 CE1 HIS A 47 -20.769 -7.162 2.990 1.00 54.23 C ATOM 503 NE2 HIS A 47 -21.047 -7.424 1.719 1.00 1.42 N ATOM 0 H HIS A 47 -14.948 -8.047 1.545 1.00 72.22 H new ATOM 0 HA HIS A 47 -17.132 -7.128 -0.040 1.00 64.42 H new ATOM 0 HB2 HIS A 47 -17.239 -8.989 1.609 1.00 54.02 H new ATOM 0 HB3 HIS A 47 -16.917 -7.859 2.910 1.00 54.02 H new ATOM 0 HD2 HIS A 47 -19.692 -8.041 0.101 1.00 31.34 H new ATOM 0 HE1 HIS A 47 -21.500 -6.867 3.728 1.00 54.23 H new ATOM 0 HE2 HIS A 47 -21.960 -7.384 1.266 1.00 1.42 H new ATOM 511 N PHE A 48 -15.901 -5.144 2.253 1.00 41.42 N ATOM 512 CA PHE A 48 -15.887 -3.816 2.788 1.00 72.24 C ATOM 513 C PHE A 48 -15.561 -2.818 1.703 1.00 22.42 C ATOM 514 O PHE A 48 -16.239 -1.801 1.547 1.00 32.52 O ATOM 515 CB PHE A 48 -14.852 -3.746 3.911 1.00 45.11 C ATOM 516 CG PHE A 48 -14.706 -2.403 4.534 1.00 42.52 C ATOM 517 CD1 PHE A 48 -13.751 -1.526 4.077 1.00 25.21 C ATOM 518 CD2 PHE A 48 -15.523 -2.020 5.569 1.00 31.24 C ATOM 519 CE1 PHE A 48 -13.611 -0.282 4.639 1.00 12.41 C ATOM 520 CE2 PHE A 48 -15.390 -0.776 6.144 1.00 3.44 C ATOM 521 CZ PHE A 48 -14.430 0.093 5.674 1.00 75.33 C ATOM 0 H PHE A 48 -15.148 -5.736 2.604 1.00 41.42 H new ATOM 0 HA PHE A 48 -16.871 -3.570 3.187 1.00 72.24 H new ATOM 0 HB2 PHE A 48 -15.125 -4.463 4.685 1.00 45.11 H new ATOM 0 HB3 PHE A 48 -13.885 -4.056 3.516 1.00 45.11 H new ATOM 0 HD1 PHE A 48 -13.102 -1.820 3.265 1.00 25.21 H new ATOM 0 HD2 PHE A 48 -16.277 -2.701 5.935 1.00 31.24 H new ATOM 0 HE1 PHE A 48 -12.859 0.399 4.268 1.00 12.41 H new ATOM 0 HE2 PHE A 48 -16.035 -0.483 6.959 1.00 3.44 H new ATOM 0 HZ PHE A 48 -14.322 1.070 6.121 1.00 75.33 H new ATOM 531 N LEU A 49 -14.545 -3.134 0.936 1.00 52.35 N ATOM 532 CA LEU A 49 -14.069 -2.256 -0.096 1.00 4.44 C ATOM 533 C LEU A 49 -14.902 -2.391 -1.368 1.00 21.50 C ATOM 534 O LEU A 49 -14.646 -1.708 -2.333 1.00 60.55 O ATOM 535 CB LEU A 49 -12.573 -2.520 -0.362 1.00 4.43 C ATOM 536 CG LEU A 49 -12.216 -3.875 -0.983 1.00 33.34 C ATOM 537 CD1 LEU A 49 -12.339 -3.851 -2.499 1.00 43.02 C ATOM 538 CD2 LEU A 49 -10.850 -4.337 -0.537 1.00 31.41 C ATOM 0 H LEU A 49 -14.027 -4.009 1.013 1.00 52.35 H new ATOM 0 HA LEU A 49 -14.179 -1.226 0.244 1.00 4.44 H new ATOM 0 HB2 LEU A 49 -12.200 -1.735 -1.020 1.00 4.43 H new ATOM 0 HB3 LEU A 49 -12.037 -2.426 0.582 1.00 4.43 H new ATOM 0 HG LEU A 49 -12.941 -4.603 -0.620 1.00 33.34 H new ATOM 0 HD11 LEU A 49 -12.077 -4.830 -2.901 1.00 43.02 H new ATOM 0 HD12 LEU A 49 -13.364 -3.607 -2.777 1.00 43.02 H new ATOM 0 HD13 LEU A 49 -11.663 -3.099 -2.907 1.00 43.02 H new ATOM 0 HD21 LEU A 49 -10.625 -5.301 -0.994 1.00 31.41 H new ATOM 0 HD22 LEU A 49 -10.101 -3.607 -0.843 1.00 31.41 H new ATOM 0 HD23 LEU A 49 -10.836 -4.438 0.548 1.00 31.41 H new ATOM 550 N GLY A 50 -15.871 -3.296 -1.356 1.00 61.31 N ATOM 551 CA GLY A 50 -16.759 -3.498 -2.504 1.00 75.34 C ATOM 552 C GLY A 50 -17.350 -2.186 -3.018 1.00 64.31 C ATOM 553 O GLY A 50 -17.080 -1.788 -4.159 1.00 72.11 O ATOM 0 H GLY A 50 -16.067 -3.907 -0.563 1.00 61.31 H new ATOM 0 HA2 GLY A 50 -16.206 -3.984 -3.307 1.00 75.34 H new ATOM 0 HA3 GLY A 50 -17.568 -4.172 -2.221 1.00 75.34 H new ATOM 557 N PRO A 51 -18.145 -1.470 -2.196 1.00 23.53 N ATOM 558 CA PRO A 51 -18.678 -0.171 -2.582 1.00 44.41 C ATOM 559 C PRO A 51 -17.641 0.953 -2.419 1.00 34.15 C ATOM 560 O PRO A 51 -17.858 2.078 -2.871 1.00 12.40 O ATOM 561 CB PRO A 51 -19.853 0.041 -1.622 1.00 10.41 C ATOM 562 CG PRO A 51 -19.536 -0.772 -0.414 1.00 61.13 C ATOM 563 CD PRO A 51 -18.638 -1.897 -0.860 1.00 74.21 C ATOM 0 HA PRO A 51 -18.966 -0.147 -3.633 1.00 44.41 H new ATOM 0 HB2 PRO A 51 -19.965 1.095 -1.367 1.00 10.41 H new ATOM 0 HB3 PRO A 51 -20.792 -0.279 -2.075 1.00 10.41 H new ATOM 0 HG2 PRO A 51 -19.042 -0.162 0.342 1.00 61.13 H new ATOM 0 HG3 PRO A 51 -20.448 -1.163 0.037 1.00 61.13 H new ATOM 0 HD2 PRO A 51 -17.814 -2.048 -0.162 1.00 74.21 H new ATOM 0 HD3 PRO A 51 -19.182 -2.840 -0.920 1.00 74.21 H new ATOM 571 N HIS A 52 -16.499 0.628 -1.829 1.00 72.12 N ATOM 572 CA HIS A 52 -15.467 1.622 -1.535 1.00 1.51 C ATOM 573 C HIS A 52 -14.240 1.322 -2.370 1.00 21.52 C ATOM 574 O HIS A 52 -13.119 1.569 -1.940 1.00 13.44 O ATOM 575 CB HIS A 52 -15.072 1.613 -0.035 1.00 31.51 C ATOM 576 CG HIS A 52 -16.168 1.948 0.947 1.00 13.44 C ATOM 577 ND1 HIS A 52 -16.350 3.194 1.514 1.00 63.04 N ATOM 578 CD2 HIS A 52 -17.110 1.155 1.496 1.00 43.04 C ATOM 579 CE1 HIS A 52 -17.372 3.114 2.369 1.00 33.24 C ATOM 580 NE2 HIS A 52 -17.871 1.893 2.396 1.00 43.34 N ATOM 0 H HIS A 52 -16.260 -0.321 -1.542 1.00 72.12 H new ATOM 0 HA HIS A 52 -15.868 2.607 -1.774 1.00 1.51 H new ATOM 0 HB2 HIS A 52 -14.683 0.625 0.210 1.00 31.51 H new ATOM 0 HB3 HIS A 52 -14.256 2.321 0.108 1.00 31.51 H new ATOM 0 HD1 HIS A 52 -15.800 4.029 1.314 1.00 63.04 H new ATOM 0 HD2 HIS A 52 -17.252 0.108 1.271 1.00 43.04 H new ATOM 0 HE1 HIS A 52 -17.741 3.939 2.960 1.00 33.24 H new ATOM 588 N ASP A 53 -14.496 0.840 -3.586 1.00 10.42 N ATOM 589 CA ASP A 53 -13.479 0.418 -4.566 1.00 45.44 C ATOM 590 C ASP A 53 -12.461 1.512 -4.851 1.00 31.34 C ATOM 591 O ASP A 53 -12.761 2.515 -5.487 1.00 42.52 O ATOM 592 CB ASP A 53 -14.200 -0.019 -5.868 1.00 51.13 C ATOM 593 CG ASP A 53 -13.317 -0.097 -7.116 1.00 1.33 C ATOM 594 OD1 ASP A 53 -12.458 -0.988 -7.228 1.00 10.12 O ATOM 595 OD2 ASP A 53 -13.542 0.719 -8.061 1.00 53.51 O ATOM 0 H ASP A 53 -15.448 0.726 -3.934 1.00 10.42 H new ATOM 0 HA ASP A 53 -12.918 -0.418 -4.148 1.00 45.44 H new ATOM 0 HB2 ASP A 53 -14.651 -0.997 -5.702 1.00 51.13 H new ATOM 0 HB3 ASP A 53 -15.014 0.679 -6.063 1.00 51.13 H new ATOM 600 N PRO A 54 -11.246 1.347 -4.325 1.00 34.44 N ATOM 601 CA PRO A 54 -10.180 2.289 -4.499 1.00 53.01 C ATOM 602 C PRO A 54 -9.195 1.807 -5.557 1.00 65.31 C ATOM 603 O PRO A 54 -9.485 0.894 -6.327 1.00 41.10 O ATOM 604 CB PRO A 54 -9.525 2.239 -3.122 1.00 54.24 C ATOM 605 CG PRO A 54 -9.644 0.801 -2.697 1.00 10.34 C ATOM 606 CD PRO A 54 -10.806 0.214 -3.475 1.00 30.11 C ATOM 0 HA PRO A 54 -10.506 3.277 -4.823 1.00 53.01 H new ATOM 0 HB2 PRO A 54 -8.482 2.554 -3.167 1.00 54.24 H new ATOM 0 HB3 PRO A 54 -10.028 2.903 -2.419 1.00 54.24 H new ATOM 0 HG2 PRO A 54 -8.723 0.257 -2.907 1.00 10.34 H new ATOM 0 HG3 PRO A 54 -9.820 0.727 -1.624 1.00 10.34 H new ATOM 0 HD2 PRO A 54 -10.499 -0.644 -4.073 1.00 30.11 H new ATOM 0 HD3 PRO A 54 -11.603 -0.128 -2.814 1.00 30.11 H new ATOM 614 N GLU A 55 -8.040 2.402 -5.596 1.00 64.15 N ATOM 615 CA GLU A 55 -7.034 1.964 -6.503 1.00 41.43 C ATOM 616 C GLU A 55 -6.211 0.928 -5.799 1.00 71.44 C ATOM 617 O GLU A 55 -5.487 1.240 -4.848 1.00 13.42 O ATOM 618 CB GLU A 55 -6.192 3.136 -6.947 1.00 1.03 C ATOM 619 CG GLU A 55 -7.013 4.193 -7.635 1.00 71.33 C ATOM 620 CD GLU A 55 -6.203 5.380 -8.067 1.00 11.31 C ATOM 621 OE1 GLU A 55 -5.848 6.219 -7.212 1.00 72.32 O ATOM 622 OE2 GLU A 55 -5.916 5.506 -9.262 1.00 13.52 O ATOM 0 H GLU A 55 -7.776 3.192 -5.008 1.00 64.15 H new ATOM 0 HA GLU A 55 -7.476 1.531 -7.400 1.00 41.43 H new ATOM 0 HB2 GLU A 55 -5.692 3.572 -6.082 1.00 1.03 H new ATOM 0 HB3 GLU A 55 -5.412 2.786 -7.623 1.00 1.03 H new ATOM 0 HG2 GLU A 55 -7.500 3.756 -8.507 1.00 71.33 H new ATOM 0 HG3 GLU A 55 -7.803 4.526 -6.962 1.00 71.33 H new ATOM 629 N ILE A 56 -6.372 -0.295 -6.197 1.00 73.03 N ATOM 630 CA ILE A 56 -5.691 -1.380 -5.551 1.00 73.03 C ATOM 631 C ILE A 56 -4.392 -1.637 -6.275 1.00 55.35 C ATOM 632 O ILE A 56 -4.395 -2.100 -7.341 1.00 44.53 O ATOM 633 CB ILE A 56 -6.564 -2.666 -5.565 1.00 50.31 C ATOM 634 CG1 ILE A 56 -7.897 -2.422 -4.827 1.00 11.50 C ATOM 635 CG2 ILE A 56 -5.799 -3.807 -4.916 1.00 71.21 C ATOM 636 CD1 ILE A 56 -8.969 -3.471 -5.072 1.00 40.45 C ATOM 0 H ILE A 56 -6.974 -0.572 -6.973 1.00 73.03 H new ATOM 0 HA ILE A 56 -5.497 -1.113 -4.512 1.00 73.03 H new ATOM 0 HB ILE A 56 -6.791 -2.931 -6.598 1.00 50.31 H new ATOM 0 HG12 ILE A 56 -7.698 -2.371 -3.757 1.00 11.50 H new ATOM 0 HG13 ILE A 56 -8.287 -1.449 -5.126 1.00 11.50 H new ATOM 0 HG21 ILE A 56 -6.412 -4.708 -4.926 1.00 71.21 H new ATOM 0 HG22 ILE A 56 -4.878 -3.988 -5.469 1.00 71.21 H new ATOM 0 HG23 ILE A 56 -5.558 -3.544 -3.886 1.00 71.21 H new ATOM 0 HD11 ILE A 56 -9.867 -3.212 -4.511 1.00 40.45 H new ATOM 0 HD12 ILE A 56 -9.204 -3.509 -6.136 1.00 40.45 H new ATOM 0 HD13 ILE A 56 -8.606 -4.445 -4.745 1.00 40.45 H new ATOM 648 N TYR A 57 -3.308 -1.305 -5.708 1.00 32.55 N ATOM 649 CA TYR A 57 -2.049 -1.531 -6.363 1.00 33.22 C ATOM 650 C TYR A 57 -1.481 -2.812 -5.892 1.00 34.12 C ATOM 651 O TYR A 57 -1.414 -3.038 -4.739 1.00 74.55 O ATOM 652 CB TYR A 57 -1.066 -0.390 -6.122 1.00 31.33 C ATOM 653 CG TYR A 57 -1.384 0.889 -6.865 1.00 35.33 C ATOM 654 CD1 TYR A 57 -2.397 1.733 -6.443 1.00 2.01 C ATOM 655 CD2 TYR A 57 -0.644 1.261 -7.981 1.00 71.34 C ATOM 656 CE1 TYR A 57 -2.666 2.912 -7.108 1.00 42.12 C ATOM 657 CE2 TYR A 57 -0.909 2.436 -8.657 1.00 31.23 C ATOM 658 CZ TYR A 57 -1.920 3.260 -8.214 1.00 72.43 C ATOM 659 OH TYR A 57 -2.184 4.446 -8.875 1.00 44.13 O ATOM 0 H TYR A 57 -3.244 -0.872 -4.787 1.00 32.55 H new ATOM 0 HA TYR A 57 -2.225 -1.576 -7.438 1.00 33.22 H new ATOM 0 HB2 TYR A 57 -1.035 -0.175 -5.054 1.00 31.33 H new ATOM 0 HB3 TYR A 57 -0.068 -0.722 -6.409 1.00 31.33 H new ATOM 0 HD1 TYR A 57 -2.987 1.464 -5.579 1.00 2.01 H new ATOM 0 HD2 TYR A 57 0.153 0.619 -8.326 1.00 71.34 H new ATOM 0 HE1 TYR A 57 -3.458 3.560 -6.763 1.00 42.12 H new ATOM 0 HE2 TYR A 57 -0.328 2.707 -9.526 1.00 31.23 H new ATOM 0 HH TYR A 57 -1.569 4.543 -9.632 1.00 44.13 H new ATOM 669 N VAL A 58 -1.120 -3.654 -6.781 1.00 5.02 N ATOM 670 CA VAL A 58 -0.515 -4.912 -6.432 1.00 4.00 C ATOM 671 C VAL A 58 0.785 -5.010 -7.148 1.00 61.03 C ATOM 672 O VAL A 58 0.828 -4.979 -8.376 1.00 44.41 O ATOM 673 CB VAL A 58 -1.420 -6.120 -6.764 1.00 74.54 C ATOM 674 CG1 VAL A 58 -0.672 -7.446 -6.631 1.00 73.11 C ATOM 675 CG2 VAL A 58 -2.628 -6.138 -5.862 1.00 3.44 C ATOM 0 H VAL A 58 -1.230 -3.504 -7.784 1.00 5.02 H new ATOM 0 HA VAL A 58 -0.363 -4.943 -5.353 1.00 4.00 H new ATOM 0 HB VAL A 58 -1.736 -6.007 -7.801 1.00 74.54 H new ATOM 0 HG11 VAL A 58 -1.344 -8.269 -6.873 1.00 73.11 H new ATOM 0 HG12 VAL A 58 0.175 -7.456 -7.317 1.00 73.11 H new ATOM 0 HG13 VAL A 58 -0.313 -7.560 -5.608 1.00 73.11 H new ATOM 0 HG21 VAL A 58 -3.254 -6.995 -6.110 1.00 3.44 H new ATOM 0 HG22 VAL A 58 -2.306 -6.212 -4.823 1.00 3.44 H new ATOM 0 HG23 VAL A 58 -3.199 -5.220 -6.000 1.00 3.44 H new ATOM 685 N ASN A 59 1.845 -5.016 -6.362 1.00 23.40 N ATOM 686 CA ASN A 59 3.234 -5.070 -6.834 1.00 61.12 C ATOM 687 C ASN A 59 3.562 -3.841 -7.681 1.00 64.25 C ATOM 688 O ASN A 59 4.542 -3.800 -8.427 1.00 63.30 O ATOM 689 CB ASN A 59 3.518 -6.390 -7.580 1.00 74.33 C ATOM 690 CG ASN A 59 3.378 -7.618 -6.677 1.00 22.33 C ATOM 691 OD1 ASN A 59 3.623 -7.560 -5.460 1.00 33.10 O ATOM 692 ND2 ASN A 59 2.958 -8.717 -7.244 1.00 20.21 N ATOM 0 H ASN A 59 1.771 -4.983 -5.345 1.00 23.40 H new ATOM 0 HA ASN A 59 3.896 -5.052 -5.968 1.00 61.12 H new ATOM 0 HB2 ASN A 59 2.832 -6.482 -8.422 1.00 74.33 H new ATOM 0 HB3 ASN A 59 4.526 -6.360 -7.993 1.00 74.33 H new ATOM 0 HD21 ASN A 59 2.822 -9.560 -6.685 1.00 20.21 H new ATOM 0 HD22 ASN A 59 2.765 -8.733 -8.246 1.00 20.21 H new ATOM 699 N GLY A 60 2.764 -2.803 -7.483 1.00 2.12 N ATOM 700 CA GLY A 60 2.931 -1.566 -8.192 1.00 31.43 C ATOM 701 C GLY A 60 1.980 -1.417 -9.364 1.00 32.03 C ATOM 702 O GLY A 60 1.931 -0.368 -9.979 1.00 21.03 O ATOM 0 H GLY A 60 1.985 -2.805 -6.824 1.00 2.12 H new ATOM 0 HA2 GLY A 60 2.780 -0.736 -7.502 1.00 31.43 H new ATOM 0 HA3 GLY A 60 3.957 -1.497 -8.554 1.00 31.43 H new ATOM 706 N LYS A 61 1.204 -2.440 -9.657 1.00 13.11 N ATOM 707 CA LYS A 61 0.280 -2.396 -10.769 1.00 63.31 C ATOM 708 C LYS A 61 -1.101 -2.126 -10.257 1.00 72.44 C ATOM 709 O LYS A 61 -1.535 -2.745 -9.287 1.00 51.22 O ATOM 710 CB LYS A 61 0.308 -3.705 -11.557 1.00 62.41 C ATOM 711 CG LYS A 61 1.629 -4.007 -12.250 1.00 3.11 C ATOM 712 CD LYS A 61 1.922 -3.009 -13.362 1.00 45.22 C ATOM 713 CE LYS A 61 3.232 -3.330 -14.078 1.00 54.24 C ATOM 714 NZ LYS A 61 3.239 -4.700 -14.639 1.00 34.52 N ATOM 0 H LYS A 61 1.196 -3.317 -9.136 1.00 13.11 H new ATOM 0 HA LYS A 61 0.581 -1.595 -11.444 1.00 63.31 H new ATOM 0 HB2 LYS A 61 0.074 -4.526 -10.879 1.00 62.41 H new ATOM 0 HB3 LYS A 61 -0.482 -3.677 -12.308 1.00 62.41 H new ATOM 0 HG2 LYS A 61 2.437 -3.985 -11.519 1.00 3.11 H new ATOM 0 HG3 LYS A 61 1.601 -5.015 -12.664 1.00 3.11 H new ATOM 0 HD2 LYS A 61 1.103 -3.015 -14.081 1.00 45.22 H new ATOM 0 HD3 LYS A 61 1.972 -2.003 -12.945 1.00 45.22 H new ATOM 0 HE2 LYS A 61 3.392 -2.610 -14.880 1.00 54.24 H new ATOM 0 HE3 LYS A 61 4.062 -3.220 -13.380 1.00 54.24 H new ATOM 0 HZ1 LYS A 61 4.019 -4.792 -15.321 1.00 34.52 H new ATOM 0 HZ2 LYS A 61 3.368 -5.389 -13.871 1.00 34.52 H new ATOM 0 HZ3 LYS A 61 2.335 -4.883 -15.120 1.00 34.52 H new ATOM 728 N ILE A 62 -1.772 -1.205 -10.881 1.00 50.11 N ATOM 729 CA ILE A 62 -3.084 -0.803 -10.464 1.00 12.32 C ATOM 730 C ILE A 62 -4.113 -1.907 -10.837 1.00 11.41 C ATOM 731 O ILE A 62 -4.120 -2.445 -11.954 1.00 2.50 O ATOM 732 CB ILE A 62 -3.450 0.621 -11.061 1.00 64.23 C ATOM 733 CG1 ILE A 62 -4.448 1.415 -10.177 1.00 60.32 C ATOM 734 CG2 ILE A 62 -3.964 0.533 -12.496 1.00 73.33 C ATOM 735 CD1 ILE A 62 -5.835 0.845 -10.066 1.00 42.11 C ATOM 0 H ILE A 62 -1.423 -0.707 -11.700 1.00 50.11 H new ATOM 0 HA ILE A 62 -3.111 -0.692 -9.380 1.00 12.32 H new ATOM 0 HB ILE A 62 -2.512 1.176 -11.069 1.00 64.23 H new ATOM 0 HG12 ILE A 62 -4.029 1.495 -9.174 1.00 60.32 H new ATOM 0 HG13 ILE A 62 -4.524 2.428 -10.572 1.00 60.32 H new ATOM 0 HG21 ILE A 62 -4.201 1.533 -12.860 1.00 73.33 H new ATOM 0 HG22 ILE A 62 -3.197 0.088 -13.130 1.00 73.33 H new ATOM 0 HG23 ILE A 62 -4.861 -0.085 -12.524 1.00 73.33 H new ATOM 0 HD11 ILE A 62 -6.441 1.485 -9.424 1.00 42.11 H new ATOM 0 HD12 ILE A 62 -6.287 0.792 -11.056 1.00 42.11 H new ATOM 0 HD13 ILE A 62 -5.784 -0.156 -9.637 1.00 42.11 H new ATOM 747 N GLN A 63 -4.885 -2.283 -9.871 1.00 55.34 N ATOM 748 CA GLN A 63 -5.900 -3.288 -9.980 1.00 11.44 C ATOM 749 C GLN A 63 -7.213 -2.698 -9.480 1.00 32.21 C ATOM 750 O GLN A 63 -7.227 -1.768 -8.637 1.00 65.41 O ATOM 751 CB GLN A 63 -5.583 -4.496 -9.074 1.00 54.25 C ATOM 752 CG GLN A 63 -4.161 -5.040 -9.134 1.00 40.13 C ATOM 753 CD GLN A 63 -3.717 -5.498 -10.501 1.00 41.32 C ATOM 754 OE1 GLN A 63 -4.524 -5.921 -11.342 1.00 24.23 O ATOM 755 NE2 GLN A 63 -2.432 -5.449 -10.725 1.00 4.30 N ATOM 0 H GLN A 63 -4.825 -1.879 -8.936 1.00 55.34 H new ATOM 0 HA GLN A 63 -5.955 -3.609 -11.020 1.00 11.44 H new ATOM 0 HB2 GLN A 63 -5.796 -4.214 -8.043 1.00 54.25 H new ATOM 0 HB3 GLN A 63 -6.268 -5.304 -9.332 1.00 54.25 H new ATOM 0 HG2 GLN A 63 -3.476 -4.267 -8.785 1.00 40.13 H new ATOM 0 HG3 GLN A 63 -4.077 -5.877 -8.441 1.00 40.13 H new ATOM 0 HE21 GLN A 63 -1.802 -5.094 -10.006 1.00 4.30 H new ATOM 0 HE22 GLN A 63 -2.058 -5.766 -11.619 1.00 4.30 H new ATOM 764 N THR A 64 -8.284 -3.218 -9.989 1.00 0.22 N ATOM 765 CA THR A 64 -9.600 -2.838 -9.562 1.00 44.14 C ATOM 766 C THR A 64 -10.095 -3.874 -8.541 1.00 2.34 C ATOM 767 O THR A 64 -9.445 -4.937 -8.380 1.00 51.15 O ATOM 768 CB THR A 64 -10.561 -2.780 -10.785 1.00 74.21 C ATOM 769 OG1 THR A 64 -11.863 -2.302 -10.405 1.00 42.33 O ATOM 770 CG2 THR A 64 -10.689 -4.156 -11.430 1.00 65.44 C ATOM 0 H THR A 64 -8.273 -3.927 -10.722 1.00 0.22 H new ATOM 0 HA THR A 64 -9.575 -1.850 -9.103 1.00 44.14 H new ATOM 0 HB THR A 64 -10.134 -2.082 -11.505 1.00 74.21 H new ATOM 0 HG1 THR A 64 -12.444 -2.275 -11.193 1.00 42.33 H new ATOM 0 HG21 THR A 64 -11.365 -4.096 -12.283 1.00 65.44 H new ATOM 0 HG22 THR A 64 -9.708 -4.493 -11.766 1.00 65.44 H new ATOM 0 HG23 THR A 64 -11.086 -4.864 -10.702 1.00 65.44 H new ATOM 778 N THR A 65 -11.221 -3.586 -7.876 1.00 41.31 N ATOM 779 CA THR A 65 -11.830 -4.488 -6.904 1.00 3.01 C ATOM 780 C THR A 65 -12.029 -5.900 -7.499 1.00 41.20 C ATOM 781 O THR A 65 -11.765 -6.893 -6.836 1.00 34.41 O ATOM 782 CB THR A 65 -13.190 -3.906 -6.351 1.00 50.02 C ATOM 783 OG1 THR A 65 -13.754 -4.763 -5.347 1.00 21.22 O ATOM 784 CG2 THR A 65 -14.222 -3.695 -7.466 1.00 61.31 C ATOM 0 H THR A 65 -11.734 -2.714 -8.002 1.00 41.31 H new ATOM 0 HA THR A 65 -11.143 -4.575 -6.063 1.00 3.01 H new ATOM 0 HB THR A 65 -12.951 -2.938 -5.910 1.00 50.02 H new ATOM 0 HG1 THR A 65 -14.594 -4.377 -5.022 1.00 21.22 H new ATOM 0 HG21 THR A 65 -15.141 -3.294 -7.040 1.00 61.31 H new ATOM 0 HG22 THR A 65 -13.826 -2.993 -8.200 1.00 61.31 H new ATOM 0 HG23 THR A 65 -14.433 -4.648 -7.952 1.00 61.31 H new ATOM 792 N THR A 66 -12.407 -5.962 -8.774 1.00 65.53 N ATOM 793 CA THR A 66 -12.650 -7.208 -9.468 1.00 12.32 C ATOM 794 C THR A 66 -11.362 -8.072 -9.533 1.00 33.03 C ATOM 795 O THR A 66 -11.371 -9.258 -9.192 1.00 23.41 O ATOM 796 CB THR A 66 -13.136 -6.883 -10.884 1.00 20.41 C ATOM 797 OG1 THR A 66 -14.175 -5.896 -10.793 1.00 63.12 O ATOM 798 CG2 THR A 66 -13.672 -8.122 -11.581 1.00 25.04 C ATOM 0 H THR A 66 -12.553 -5.135 -9.353 1.00 65.53 H new ATOM 0 HA THR A 66 -13.404 -7.781 -8.929 1.00 12.32 H new ATOM 0 HB THR A 66 -12.297 -6.507 -11.469 1.00 20.41 H new ATOM 0 HG1 THR A 66 -14.496 -5.675 -11.692 1.00 63.12 H new ATOM 0 HG21 THR A 66 -14.009 -7.858 -12.584 1.00 25.04 H new ATOM 0 HG22 THR A 66 -12.883 -8.871 -11.649 1.00 25.04 H new ATOM 0 HG23 THR A 66 -14.509 -8.526 -11.012 1.00 25.04 H new ATOM 806 N ALA A 67 -10.266 -7.453 -9.951 1.00 73.25 N ATOM 807 CA ALA A 67 -8.973 -8.114 -10.063 1.00 32.40 C ATOM 808 C ALA A 67 -8.485 -8.556 -8.691 1.00 73.24 C ATOM 809 O ALA A 67 -8.062 -9.691 -8.519 1.00 60.32 O ATOM 810 CB ALA A 67 -7.963 -7.194 -10.728 1.00 33.50 C ATOM 0 H ALA A 67 -10.249 -6.470 -10.224 1.00 73.25 H new ATOM 0 HA ALA A 67 -9.086 -9.001 -10.687 1.00 32.40 H new ATOM 0 HB1 ALA A 67 -7.002 -7.703 -10.804 1.00 33.50 H new ATOM 0 HB2 ALA A 67 -8.313 -6.929 -11.726 1.00 33.50 H new ATOM 0 HB3 ALA A 67 -7.848 -6.289 -10.132 1.00 33.50 H new ATOM 816 N PHE A 68 -8.582 -7.655 -7.724 1.00 10.44 N ATOM 817 CA PHE A 68 -8.240 -7.943 -6.328 1.00 15.15 C ATOM 818 C PHE A 68 -8.996 -9.165 -5.839 1.00 43.04 C ATOM 819 O PHE A 68 -8.396 -10.134 -5.366 1.00 13.10 O ATOM 820 CB PHE A 68 -8.593 -6.729 -5.478 1.00 33.33 C ATOM 821 CG PHE A 68 -8.547 -6.939 -3.985 1.00 14.02 C ATOM 822 CD1 PHE A 68 -7.369 -6.825 -3.292 1.00 53.15 C ATOM 823 CD2 PHE A 68 -9.702 -7.251 -3.283 1.00 42.34 C ATOM 824 CE1 PHE A 68 -7.336 -7.024 -1.928 1.00 32.42 C ATOM 825 CE2 PHE A 68 -9.671 -7.447 -1.927 1.00 24.23 C ATOM 826 CZ PHE A 68 -8.486 -7.333 -1.250 1.00 64.14 C ATOM 0 H PHE A 68 -8.901 -6.699 -7.880 1.00 10.44 H new ATOM 0 HA PHE A 68 -7.173 -8.152 -6.248 1.00 15.15 H new ATOM 0 HB2 PHE A 68 -7.910 -5.919 -5.733 1.00 33.33 H new ATOM 0 HB3 PHE A 68 -9.596 -6.398 -5.749 1.00 33.33 H new ATOM 0 HD1 PHE A 68 -6.460 -6.577 -3.819 1.00 53.15 H new ATOM 0 HD2 PHE A 68 -10.639 -7.341 -3.813 1.00 42.34 H new ATOM 0 HE1 PHE A 68 -6.402 -6.936 -1.393 1.00 32.42 H new ATOM 0 HE2 PHE A 68 -10.578 -7.691 -1.394 1.00 24.23 H new ATOM 0 HZ PHE A 68 -8.458 -7.487 -0.181 1.00 64.14 H new ATOM 836 N LEU A 69 -10.313 -9.097 -5.963 1.00 20.01 N ATOM 837 CA LEU A 69 -11.220 -10.205 -5.595 1.00 32.13 C ATOM 838 C LEU A 69 -10.757 -11.528 -6.252 1.00 11.24 C ATOM 839 O LEU A 69 -10.750 -12.588 -5.613 1.00 2.51 O ATOM 840 CB LEU A 69 -12.683 -9.833 -5.991 1.00 25.02 C ATOM 841 CG LEU A 69 -13.865 -10.697 -5.459 1.00 4.42 C ATOM 842 CD1 LEU A 69 -13.927 -12.089 -6.077 1.00 23.53 C ATOM 843 CD2 LEU A 69 -13.819 -10.788 -3.944 1.00 61.34 C ATOM 0 H LEU A 69 -10.797 -8.274 -6.322 1.00 20.01 H new ATOM 0 HA LEU A 69 -11.191 -10.360 -4.516 1.00 32.13 H new ATOM 0 HB2 LEU A 69 -12.858 -8.807 -5.668 1.00 25.02 H new ATOM 0 HB3 LEU A 69 -12.738 -9.839 -7.080 1.00 25.02 H new ATOM 0 HG LEU A 69 -14.778 -10.186 -5.765 1.00 4.42 H new ATOM 0 HD11 LEU A 69 -14.774 -12.635 -5.661 1.00 23.53 H new ATOM 0 HD12 LEU A 69 -14.047 -12.003 -7.157 1.00 23.53 H new ATOM 0 HD13 LEU A 69 -13.005 -12.627 -5.856 1.00 23.53 H new ATOM 0 HD21 LEU A 69 -14.652 -11.395 -3.591 1.00 61.34 H new ATOM 0 HD22 LEU A 69 -12.879 -11.246 -3.635 1.00 61.34 H new ATOM 0 HD23 LEU A 69 -13.892 -9.788 -3.517 1.00 61.34 H new ATOM 855 N GLN A 70 -10.364 -11.453 -7.510 1.00 45.55 N ATOM 856 CA GLN A 70 -9.842 -12.591 -8.226 1.00 72.54 C ATOM 857 C GLN A 70 -8.579 -13.157 -7.564 1.00 1.55 C ATOM 858 O GLN A 70 -8.498 -14.361 -7.312 1.00 54.14 O ATOM 859 CB GLN A 70 -9.579 -12.226 -9.671 1.00 43.24 C ATOM 860 CG GLN A 70 -10.831 -12.085 -10.504 1.00 73.23 C ATOM 861 CD GLN A 70 -10.524 -11.644 -11.907 1.00 5.25 C ATOM 862 OE1 GLN A 70 -10.304 -12.457 -12.794 1.00 20.20 O ATOM 863 NE2 GLN A 70 -10.503 -10.366 -12.116 1.00 53.42 N ATOM 0 H GLN A 70 -10.400 -10.596 -8.062 1.00 45.55 H new ATOM 0 HA GLN A 70 -10.597 -13.377 -8.194 1.00 72.54 H new ATOM 0 HB2 GLN A 70 -9.025 -11.288 -9.704 1.00 43.24 H new ATOM 0 HB3 GLN A 70 -8.941 -12.988 -10.118 1.00 43.24 H new ATOM 0 HG2 GLN A 70 -11.359 -13.038 -10.530 1.00 73.23 H new ATOM 0 HG3 GLN A 70 -11.500 -11.363 -10.035 1.00 73.23 H new ATOM 0 HE21 GLN A 70 -10.692 -9.721 -11.349 1.00 53.42 H new ATOM 0 HE22 GLN A 70 -10.297 -10.005 -13.048 1.00 53.42 H new ATOM 872 N PHE A 71 -7.632 -12.291 -7.218 1.00 23.03 N ATOM 873 CA PHE A 71 -6.387 -12.740 -6.583 1.00 54.40 C ATOM 874 C PHE A 71 -6.683 -13.301 -5.192 1.00 73.15 C ATOM 875 O PHE A 71 -6.026 -14.241 -4.719 1.00 50.43 O ATOM 876 CB PHE A 71 -5.361 -11.605 -6.490 1.00 1.44 C ATOM 877 CG PHE A 71 -4.933 -11.027 -7.811 1.00 34.32 C ATOM 878 CD1 PHE A 71 -5.070 -9.672 -8.061 1.00 53.42 C ATOM 879 CD2 PHE A 71 -4.412 -11.836 -8.803 1.00 63.13 C ATOM 880 CE1 PHE A 71 -4.695 -9.133 -9.274 1.00 73.22 C ATOM 881 CE2 PHE A 71 -4.031 -11.306 -10.021 1.00 44.32 C ATOM 882 CZ PHE A 71 -4.174 -9.951 -10.257 1.00 4.04 C ATOM 0 H PHE A 71 -7.696 -11.283 -7.362 1.00 23.03 H new ATOM 0 HA PHE A 71 -5.957 -13.525 -7.205 1.00 54.40 H new ATOM 0 HB2 PHE A 71 -5.780 -10.805 -5.879 1.00 1.44 H new ATOM 0 HB3 PHE A 71 -4.478 -11.975 -5.969 1.00 1.44 H new ATOM 0 HD1 PHE A 71 -5.476 -9.028 -7.295 1.00 53.42 H new ATOM 0 HD2 PHE A 71 -4.301 -12.895 -8.624 1.00 63.13 H new ATOM 0 HE1 PHE A 71 -4.809 -8.074 -9.454 1.00 73.22 H new ATOM 0 HE2 PHE A 71 -3.622 -11.949 -10.787 1.00 44.32 H new ATOM 0 HZ PHE A 71 -3.879 -9.533 -11.208 1.00 4.04 H new ATOM 892 N PHE A 72 -7.686 -12.731 -4.552 1.00 61.52 N ATOM 893 CA PHE A 72 -8.158 -13.190 -3.276 1.00 62.23 C ATOM 894 C PHE A 72 -8.676 -14.622 -3.370 1.00 50.41 C ATOM 895 O PHE A 72 -8.224 -15.488 -2.626 1.00 31.40 O ATOM 896 CB PHE A 72 -9.238 -12.238 -2.717 1.00 31.42 C ATOM 897 CG PHE A 72 -10.178 -12.893 -1.750 1.00 4.23 C ATOM 898 CD1 PHE A 72 -9.797 -13.178 -0.456 1.00 3.13 C ATOM 899 CD2 PHE A 72 -11.441 -13.250 -2.168 1.00 12.52 C ATOM 900 CE1 PHE A 72 -10.667 -13.813 0.406 1.00 14.43 C ATOM 901 CE2 PHE A 72 -12.317 -13.877 -1.321 1.00 22.22 C ATOM 902 CZ PHE A 72 -11.931 -14.164 -0.029 1.00 20.42 C ATOM 0 H PHE A 72 -8.197 -11.926 -4.915 1.00 61.52 H new ATOM 0 HA PHE A 72 -7.319 -13.187 -2.581 1.00 62.23 H new ATOM 0 HB2 PHE A 72 -8.749 -11.399 -2.222 1.00 31.42 H new ATOM 0 HB3 PHE A 72 -9.813 -11.828 -3.547 1.00 31.42 H new ATOM 0 HD1 PHE A 72 -8.810 -12.902 -0.115 1.00 3.13 H new ATOM 0 HD2 PHE A 72 -11.746 -13.032 -3.181 1.00 12.52 H new ATOM 0 HE1 PHE A 72 -10.361 -14.035 1.418 1.00 14.43 H new ATOM 0 HE2 PHE A 72 -13.305 -14.145 -1.664 1.00 22.22 H new ATOM 0 HZ PHE A 72 -12.615 -14.662 0.642 1.00 20.42 H new ATOM 912 N ARG A 73 -9.583 -14.870 -4.314 1.00 70.32 N ATOM 913 CA ARG A 73 -10.199 -16.181 -4.452 1.00 72.41 C ATOM 914 C ARG A 73 -9.203 -17.194 -4.992 1.00 74.41 C ATOM 915 O ARG A 73 -9.374 -18.393 -4.816 1.00 24.35 O ATOM 916 CB ARG A 73 -11.487 -16.127 -5.302 1.00 2.41 C ATOM 917 CG ARG A 73 -11.273 -15.784 -6.760 1.00 1.42 C ATOM 918 CD ARG A 73 -12.587 -15.631 -7.503 1.00 12.44 C ATOM 919 NE ARG A 73 -12.375 -15.455 -8.944 1.00 65.33 N ATOM 920 CZ ARG A 73 -13.305 -15.050 -9.827 1.00 72.01 C ATOM 921 NH1 ARG A 73 -14.518 -14.688 -9.418 1.00 10.15 N ATOM 922 NH2 ARG A 73 -13.014 -14.984 -11.126 1.00 13.14 N ATOM 0 H ARG A 73 -9.905 -14.179 -4.992 1.00 70.32 H new ATOM 0 HA ARG A 73 -10.499 -16.511 -3.458 1.00 72.41 H new ATOM 0 HB2 ARG A 73 -11.986 -17.094 -5.241 1.00 2.41 H new ATOM 0 HB3 ARG A 73 -12.162 -15.391 -4.866 1.00 2.41 H new ATOM 0 HG2 ARG A 73 -10.703 -14.858 -6.835 1.00 1.42 H new ATOM 0 HG3 ARG A 73 -10.677 -16.564 -7.233 1.00 1.42 H new ATOM 0 HD2 ARG A 73 -13.208 -16.510 -7.331 1.00 12.44 H new ATOM 0 HD3 ARG A 73 -13.132 -14.774 -7.107 1.00 12.44 H new ATOM 0 HE ARG A 73 -11.443 -15.657 -9.307 1.00 65.33 H new ATOM 0 HH11 ARG A 73 -14.751 -14.716 -8.425 1.00 10.15 H new ATOM 0 HH12 ARG A 73 -15.215 -14.383 -10.097 1.00 10.15 H new ATOM 0 HH21 ARG A 73 -12.083 -15.241 -11.454 1.00 13.14 H new ATOM 0 HH22 ARG A 73 -13.722 -14.676 -11.792 1.00 13.14 H new ATOM 936 N GLN A 74 -8.150 -16.703 -5.646 1.00 52.43 N ATOM 937 CA GLN A 74 -7.067 -17.578 -6.072 1.00 62.53 C ATOM 938 C GLN A 74 -6.257 -18.037 -4.863 1.00 41.45 C ATOM 939 O GLN A 74 -5.553 -19.054 -4.908 1.00 13.11 O ATOM 940 CB GLN A 74 -6.149 -16.923 -7.106 1.00 60.33 C ATOM 941 CG GLN A 74 -6.783 -16.719 -8.467 1.00 53.31 C ATOM 942 CD GLN A 74 -5.811 -16.141 -9.470 1.00 12.41 C ATOM 943 OE1 GLN A 74 -5.697 -14.923 -9.628 1.00 1.04 O ATOM 944 NE2 GLN A 74 -5.092 -16.999 -10.142 1.00 32.44 N ATOM 0 H GLN A 74 -8.028 -15.720 -5.888 1.00 52.43 H new ATOM 0 HA GLN A 74 -7.525 -18.440 -6.556 1.00 62.53 H new ATOM 0 HB2 GLN A 74 -5.822 -15.956 -6.723 1.00 60.33 H new ATOM 0 HB3 GLN A 74 -5.257 -17.538 -7.223 1.00 60.33 H new ATOM 0 HG2 GLN A 74 -7.160 -17.673 -8.837 1.00 53.31 H new ATOM 0 HG3 GLN A 74 -7.641 -16.053 -8.370 1.00 53.31 H new ATOM 0 HE21 GLN A 74 -5.213 -18.000 -9.985 1.00 32.44 H new ATOM 0 HE22 GLN A 74 -4.409 -16.669 -10.824 1.00 32.44 H new ATOM 953 N GLY A 75 -6.380 -17.296 -3.786 1.00 63.04 N ATOM 954 CA GLY A 75 -5.718 -17.644 -2.576 1.00 41.43 C ATOM 955 C GLY A 75 -4.466 -16.848 -2.333 1.00 41.14 C ATOM 956 O GLY A 75 -3.688 -17.181 -1.447 1.00 62.51 O ATOM 0 H GLY A 75 -6.939 -16.445 -3.736 1.00 63.04 H new ATOM 0 HA2 GLY A 75 -6.402 -17.496 -1.740 1.00 41.43 H new ATOM 0 HA3 GLY A 75 -5.467 -18.705 -2.599 1.00 41.43 H new ATOM 960 N LEU A 76 -4.278 -15.776 -3.069 1.00 53.02 N ATOM 961 CA LEU A 76 -3.062 -14.992 -2.923 1.00 42.41 C ATOM 962 C LEU A 76 -3.084 -14.166 -1.641 1.00 33.22 C ATOM 963 O LEU A 76 -2.115 -14.146 -0.887 1.00 54.31 O ATOM 964 CB LEU A 76 -2.809 -14.090 -4.147 1.00 40.54 C ATOM 965 CG LEU A 76 -2.718 -14.797 -5.515 1.00 1.12 C ATOM 966 CD1 LEU A 76 -2.282 -13.825 -6.589 1.00 34.25 C ATOM 967 CD2 LEU A 76 -1.781 -15.992 -5.473 1.00 64.02 C ATOM 0 H LEU A 76 -4.937 -15.427 -3.765 1.00 53.02 H new ATOM 0 HA LEU A 76 -2.235 -15.700 -2.858 1.00 42.41 H new ATOM 0 HB2 LEU A 76 -3.609 -13.351 -4.197 1.00 40.54 H new ATOM 0 HB3 LEU A 76 -1.880 -13.544 -3.982 1.00 40.54 H new ATOM 0 HG LEU A 76 -3.715 -15.167 -5.756 1.00 1.12 H new ATOM 0 HD11 LEU A 76 -2.224 -14.343 -7.546 1.00 34.25 H new ATOM 0 HD12 LEU A 76 -3.005 -13.012 -6.659 1.00 34.25 H new ATOM 0 HD13 LEU A 76 -1.303 -13.419 -6.336 1.00 34.25 H new ATOM 0 HD21 LEU A 76 -1.746 -16.461 -6.456 1.00 64.02 H new ATOM 0 HD22 LEU A 76 -0.781 -15.661 -5.193 1.00 64.02 H new ATOM 0 HD23 LEU A 76 -2.143 -16.713 -4.740 1.00 64.02 H new ATOM 979 N PHE A 77 -4.204 -13.527 -1.364 1.00 33.33 N ATOM 980 CA PHE A 77 -4.290 -12.661 -0.194 1.00 50.43 C ATOM 981 C PHE A 77 -4.727 -13.409 1.059 1.00 52.03 C ATOM 982 O PHE A 77 -4.704 -12.860 2.141 1.00 13.03 O ATOM 983 CB PHE A 77 -5.222 -11.488 -0.438 1.00 71.41 C ATOM 984 CG PHE A 77 -4.848 -10.627 -1.601 1.00 1.24 C ATOM 985 CD1 PHE A 77 -3.620 -9.988 -1.657 1.00 10.33 C ATOM 986 CD2 PHE A 77 -5.735 -10.449 -2.634 1.00 33.31 C ATOM 987 CE1 PHE A 77 -3.294 -9.192 -2.735 1.00 10.32 C ATOM 988 CE2 PHE A 77 -5.419 -9.660 -3.704 1.00 73.30 C ATOM 989 CZ PHE A 77 -4.201 -9.028 -3.763 1.00 74.11 C ATOM 0 H PHE A 77 -5.057 -13.586 -1.920 1.00 33.33 H new ATOM 0 HA PHE A 77 -3.280 -12.287 -0.025 1.00 50.43 H new ATOM 0 HB2 PHE A 77 -6.231 -11.869 -0.595 1.00 71.41 H new ATOM 0 HB3 PHE A 77 -5.250 -10.871 0.460 1.00 71.41 H new ATOM 0 HD1 PHE A 77 -2.913 -10.114 -0.851 1.00 10.33 H new ATOM 0 HD2 PHE A 77 -6.696 -10.940 -2.600 1.00 33.31 H new ATOM 0 HE1 PHE A 77 -2.334 -8.699 -2.775 1.00 10.32 H new ATOM 0 HE2 PHE A 77 -6.130 -9.533 -4.507 1.00 73.30 H new ATOM 0 HZ PHE A 77 -3.954 -8.405 -4.610 1.00 74.11 H new ATOM 999 N LYS A 78 -5.061 -14.689 0.938 1.00 23.44 N ATOM 1000 CA LYS A 78 -5.529 -15.422 2.112 1.00 70.23 C ATOM 1001 C LYS A 78 -4.400 -15.690 3.121 1.00 54.44 C ATOM 1002 O LYS A 78 -4.650 -16.014 4.275 1.00 4.50 O ATOM 1003 CB LYS A 78 -6.388 -16.675 1.749 1.00 41.51 C ATOM 1004 CG LYS A 78 -5.744 -17.754 0.879 1.00 21.33 C ATOM 1005 CD LYS A 78 -4.717 -18.608 1.612 1.00 10.52 C ATOM 1006 CE LYS A 78 -4.078 -19.632 0.672 1.00 41.50 C ATOM 1007 NZ LYS A 78 -5.061 -20.599 0.120 1.00 40.42 N ATOM 0 H LYS A 78 -5.020 -15.227 0.072 1.00 23.44 H new ATOM 0 HA LYS A 78 -6.225 -14.767 2.636 1.00 70.23 H new ATOM 0 HB2 LYS A 78 -6.708 -17.143 2.680 1.00 41.51 H new ATOM 0 HB3 LYS A 78 -7.288 -16.328 1.241 1.00 41.51 H new ATOM 0 HG2 LYS A 78 -6.526 -18.403 0.484 1.00 21.33 H new ATOM 0 HG3 LYS A 78 -5.263 -17.278 0.024 1.00 21.33 H new ATOM 0 HD2 LYS A 78 -3.944 -17.968 2.036 1.00 10.52 H new ATOM 0 HD3 LYS A 78 -5.196 -19.124 2.444 1.00 10.52 H new ATOM 0 HE2 LYS A 78 -3.589 -19.109 -0.150 1.00 41.50 H new ATOM 0 HE3 LYS A 78 -3.302 -20.177 1.209 1.00 41.50 H new ATOM 0 HZ1 LYS A 78 -4.557 -21.366 -0.370 1.00 40.42 H new ATOM 0 HZ2 LYS A 78 -5.629 -20.998 0.895 1.00 40.42 H new ATOM 0 HZ3 LYS A 78 -5.687 -20.112 -0.553 1.00 40.42 H new ATOM 1021 N LYS A 79 -3.165 -15.525 2.659 1.00 53.21 N ATOM 1022 CA LYS A 79 -1.980 -15.632 3.500 1.00 11.14 C ATOM 1023 C LYS A 79 -1.677 -14.288 4.162 1.00 61.04 C ATOM 1024 O LYS A 79 -1.048 -14.227 5.216 1.00 72.24 O ATOM 1025 CB LYS A 79 -0.794 -16.047 2.637 1.00 75.31 C ATOM 1026 CG LYS A 79 -0.897 -17.449 2.060 1.00 32.00 C ATOM 1027 CD LYS A 79 -0.667 -18.538 3.119 1.00 31.04 C ATOM 1028 CE LYS A 79 0.753 -18.483 3.692 1.00 21.41 C ATOM 1029 NZ LYS A 79 1.008 -19.561 4.676 1.00 55.35 N ATOM 0 H LYS A 79 -2.958 -15.312 1.683 1.00 53.21 H new ATOM 0 HA LYS A 79 -2.158 -16.376 4.276 1.00 11.14 H new ATOM 0 HB2 LYS A 79 -0.691 -15.336 1.817 1.00 75.31 H new ATOM 0 HB3 LYS A 79 0.115 -15.979 3.234 1.00 75.31 H new ATOM 0 HG2 LYS A 79 -1.882 -17.583 1.613 1.00 32.00 H new ATOM 0 HG3 LYS A 79 -0.166 -17.564 1.260 1.00 32.00 H new ATOM 0 HD2 LYS A 79 -1.390 -18.419 3.926 1.00 31.04 H new ATOM 0 HD3 LYS A 79 -0.843 -19.518 2.676 1.00 31.04 H new ATOM 0 HE2 LYS A 79 1.474 -18.560 2.878 1.00 21.41 H new ATOM 0 HE3 LYS A 79 0.912 -17.515 4.168 1.00 21.41 H new ATOM 0 HZ1 LYS A 79 1.981 -19.481 5.034 1.00 55.35 H new ATOM 0 HZ2 LYS A 79 0.339 -19.474 5.468 1.00 55.35 H new ATOM 0 HZ3 LYS A 79 0.883 -20.486 4.218 1.00 55.35 H new ATOM 1043 N LEU A 80 -2.194 -13.217 3.562 1.00 72.24 N ATOM 1044 CA LEU A 80 -1.943 -11.848 4.021 1.00 53.52 C ATOM 1045 C LEU A 80 -2.746 -11.576 5.292 1.00 20.35 C ATOM 1046 O LEU A 80 -2.482 -10.640 6.037 1.00 31.20 O ATOM 1047 CB LEU A 80 -2.323 -10.862 2.909 1.00 11.01 C ATOM 1048 CG LEU A 80 -2.055 -9.377 3.163 1.00 71.34 C ATOM 1049 CD1 LEU A 80 -0.561 -9.106 3.302 1.00 63.21 C ATOM 1050 CD2 LEU A 80 -2.654 -8.548 2.048 1.00 64.42 C ATOM 0 H LEU A 80 -2.800 -13.272 2.743 1.00 72.24 H new ATOM 0 HA LEU A 80 -0.885 -11.721 4.252 1.00 53.52 H new ATOM 0 HB2 LEU A 80 -1.787 -11.151 2.005 1.00 11.01 H new ATOM 0 HB3 LEU A 80 -3.386 -10.982 2.701 1.00 11.01 H new ATOM 0 HG LEU A 80 -2.528 -9.094 4.103 1.00 71.34 H new ATOM 0 HD11 LEU A 80 -0.399 -8.043 3.482 1.00 63.21 H new ATOM 0 HD12 LEU A 80 -0.163 -9.680 4.139 1.00 63.21 H new ATOM 0 HD13 LEU A 80 -0.051 -9.401 2.385 1.00 63.21 H new ATOM 0 HD21 LEU A 80 -2.460 -7.492 2.235 1.00 64.42 H new ATOM 0 HD22 LEU A 80 -2.205 -8.837 1.098 1.00 64.42 H new ATOM 0 HD23 LEU A 80 -3.730 -8.717 2.007 1.00 64.42 H new ATOM 1062 N LYS A 81 -3.694 -12.452 5.538 1.00 42.21 N ATOM 1063 CA LYS A 81 -4.527 -12.434 6.721 1.00 41.30 C ATOM 1064 C LYS A 81 -3.696 -12.508 8.026 1.00 3.03 C ATOM 1065 O LYS A 81 -4.125 -12.012 9.077 1.00 33.22 O ATOM 1066 CB LYS A 81 -5.603 -13.568 6.591 1.00 14.01 C ATOM 1067 CG LYS A 81 -6.156 -14.172 7.885 1.00 1.13 C ATOM 1068 CD LYS A 81 -5.225 -15.264 8.408 1.00 10.42 C ATOM 1069 CE LYS A 81 -5.641 -15.787 9.760 1.00 23.52 C ATOM 1070 NZ LYS A 81 -4.730 -16.850 10.219 1.00 52.45 N ATOM 0 H LYS A 81 -3.914 -13.219 4.903 1.00 42.21 H new ATOM 0 HA LYS A 81 -5.047 -11.479 6.792 1.00 41.30 H new ATOM 0 HB2 LYS A 81 -6.442 -13.171 6.020 1.00 14.01 H new ATOM 0 HB3 LYS A 81 -5.170 -14.376 6.001 1.00 14.01 H new ATOM 0 HG2 LYS A 81 -6.269 -13.392 8.638 1.00 1.13 H new ATOM 0 HG3 LYS A 81 -7.147 -14.587 7.704 1.00 1.13 H new ATOM 0 HD2 LYS A 81 -5.203 -16.089 7.695 1.00 10.42 H new ATOM 0 HD3 LYS A 81 -4.210 -14.871 8.472 1.00 10.42 H new ATOM 0 HE2 LYS A 81 -5.647 -14.971 10.483 1.00 23.52 H new ATOM 0 HE3 LYS A 81 -6.659 -16.173 9.707 1.00 23.52 H new ATOM 0 HZ1 LYS A 81 -5.174 -17.375 11.000 1.00 52.45 H new ATOM 0 HZ2 LYS A 81 -4.532 -17.501 9.433 1.00 52.45 H new ATOM 0 HZ3 LYS A 81 -3.840 -16.426 10.549 1.00 52.45 H new ATOM 1084 N ASP A 82 -2.504 -13.084 7.941 1.00 24.33 N ATOM 1085 CA ASP A 82 -1.642 -13.260 9.112 1.00 34.12 C ATOM 1086 C ASP A 82 -0.666 -12.103 9.281 1.00 21.12 C ATOM 1087 O ASP A 82 0.271 -12.175 10.094 1.00 14.14 O ATOM 1088 CB ASP A 82 -0.865 -14.586 9.044 1.00 13.22 C ATOM 1089 CG ASP A 82 -1.740 -15.806 9.190 1.00 15.31 C ATOM 1090 OD1 ASP A 82 -2.099 -16.174 10.330 1.00 13.41 O ATOM 1091 OD2 ASP A 82 -2.075 -16.443 8.187 1.00 30.21 O ATOM 0 H ASP A 82 -2.107 -13.440 7.071 1.00 24.33 H new ATOM 0 HA ASP A 82 -2.302 -13.281 9.979 1.00 34.12 H new ATOM 0 HB2 ASP A 82 -0.337 -14.640 8.092 1.00 13.22 H new ATOM 0 HB3 ASP A 82 -0.109 -14.595 9.829 1.00 13.22 H new ATOM 1096 N ALA A 83 -0.882 -11.038 8.546 1.00 11.13 N ATOM 1097 CA ALA A 83 -0.015 -9.879 8.610 1.00 72.02 C ATOM 1098 C ALA A 83 -0.363 -8.980 9.796 1.00 11.31 C ATOM 1099 O ALA A 83 -1.514 -8.925 10.238 1.00 74.55 O ATOM 1100 CB ALA A 83 -0.073 -9.104 7.311 1.00 51.14 C ATOM 0 H ALA A 83 -1.658 -10.947 7.890 1.00 11.13 H new ATOM 0 HA ALA A 83 1.005 -10.233 8.759 1.00 72.02 H new ATOM 0 HB1 ALA A 83 0.584 -8.236 7.375 1.00 51.14 H new ATOM 0 HB2 ALA A 83 0.251 -9.744 6.491 1.00 51.14 H new ATOM 0 HB3 ALA A 83 -1.096 -8.772 7.131 1.00 51.14 H new ATOM 1106 N GLU A 84 0.640 -8.299 10.309 1.00 12.33 N ATOM 1107 CA GLU A 84 0.496 -7.407 11.455 1.00 4.13 C ATOM 1108 C GLU A 84 0.395 -5.979 10.945 1.00 31.51 C ATOM 1109 O GLU A 84 1.206 -5.574 10.113 1.00 64.33 O ATOM 1110 CB GLU A 84 1.738 -7.512 12.336 1.00 12.51 C ATOM 1111 CG GLU A 84 2.088 -8.923 12.762 1.00 11.54 C ATOM 1112 CD GLU A 84 3.386 -8.976 13.518 1.00 0.20 C ATOM 1113 OE1 GLU A 84 3.369 -9.030 14.761 1.00 13.42 O ATOM 1114 OE2 GLU A 84 4.462 -8.953 12.885 1.00 13.11 O ATOM 0 H GLU A 84 1.591 -8.345 9.943 1.00 12.33 H new ATOM 0 HA GLU A 84 -0.392 -7.680 12.026 1.00 4.13 H new ATOM 0 HB2 GLU A 84 2.586 -7.087 11.799 1.00 12.51 H new ATOM 0 HB3 GLU A 84 1.588 -6.903 13.228 1.00 12.51 H new ATOM 0 HG2 GLU A 84 1.288 -9.323 13.386 1.00 11.54 H new ATOM 0 HG3 GLU A 84 2.155 -9.562 11.881 1.00 11.54 H new ATOM 1121 N PHE A 85 -0.565 -5.215 11.428 1.00 35.11 N ATOM 1122 CA PHE A 85 -0.712 -3.848 10.954 1.00 73.32 C ATOM 1123 C PHE A 85 -0.013 -2.851 11.851 1.00 55.54 C ATOM 1124 O PHE A 85 0.047 -3.020 13.077 1.00 63.34 O ATOM 1125 CB PHE A 85 -2.183 -3.443 10.726 1.00 22.51 C ATOM 1126 CG PHE A 85 -3.069 -3.430 11.944 1.00 53.33 C ATOM 1127 CD1 PHE A 85 -3.699 -4.584 12.377 1.00 31.02 C ATOM 1128 CD2 PHE A 85 -3.289 -2.250 12.639 1.00 12.00 C ATOM 1129 CE1 PHE A 85 -4.528 -4.561 13.479 1.00 14.22 C ATOM 1130 CE2 PHE A 85 -4.112 -2.222 13.741 1.00 4.30 C ATOM 1131 CZ PHE A 85 -4.733 -3.375 14.163 1.00 74.15 C ATOM 0 H PHE A 85 -1.242 -5.506 12.133 1.00 35.11 H new ATOM 0 HA PHE A 85 -0.220 -3.825 9.982 1.00 73.32 H new ATOM 0 HB2 PHE A 85 -2.199 -2.448 10.281 1.00 22.51 H new ATOM 0 HB3 PHE A 85 -2.616 -4.126 9.995 1.00 22.51 H new ATOM 0 HD1 PHE A 85 -3.540 -5.511 11.847 1.00 31.02 H new ATOM 0 HD2 PHE A 85 -2.808 -1.341 12.311 1.00 12.00 H new ATOM 0 HE1 PHE A 85 -5.016 -5.466 13.808 1.00 14.22 H new ATOM 0 HE2 PHE A 85 -4.270 -1.296 14.274 1.00 4.30 H new ATOM 0 HZ PHE A 85 -5.380 -3.355 15.027 1.00 74.15 H new ATOM 1141 N ALA A 86 0.533 -1.851 11.237 1.00 63.34 N ATOM 1142 CA ALA A 86 1.186 -0.756 11.894 1.00 1.23 C ATOM 1143 C ALA A 86 0.911 0.496 11.086 1.00 24.30 C ATOM 1144 O ALA A 86 0.484 0.401 9.930 1.00 25.24 O ATOM 1145 CB ALA A 86 2.689 -1.007 11.978 1.00 42.21 C ATOM 0 H ALA A 86 0.538 -1.768 10.220 1.00 63.34 H new ATOM 0 HA ALA A 86 0.808 -0.646 12.910 1.00 1.23 H new ATOM 0 HB1 ALA A 86 3.171 -0.167 12.479 1.00 42.21 H new ATOM 0 HB2 ALA A 86 2.874 -1.921 12.542 1.00 42.21 H new ATOM 0 HB3 ALA A 86 3.097 -1.112 10.973 1.00 42.21 H new ATOM 1151 N ILE A 87 1.124 1.646 11.669 1.00 41.35 N ATOM 1152 CA ILE A 87 0.943 2.891 10.945 1.00 14.05 C ATOM 1153 C ILE A 87 2.174 3.214 10.105 1.00 4.32 C ATOM 1154 O ILE A 87 3.315 2.901 10.502 1.00 54.12 O ATOM 1155 CB ILE A 87 0.516 4.095 11.876 1.00 10.23 C ATOM 1156 CG1 ILE A 87 1.392 4.245 13.161 1.00 74.22 C ATOM 1157 CG2 ILE A 87 -0.951 3.987 12.251 1.00 0.53 C ATOM 1158 CD1 ILE A 87 2.788 4.805 12.950 1.00 52.15 C ATOM 0 H ILE A 87 1.422 1.754 12.639 1.00 41.35 H new ATOM 0 HA ILE A 87 0.104 2.744 10.265 1.00 14.05 H new ATOM 0 HB ILE A 87 0.682 4.997 11.288 1.00 10.23 H new ATOM 0 HG12 ILE A 87 0.865 4.891 13.863 1.00 74.22 H new ATOM 0 HG13 ILE A 87 1.481 3.266 13.633 1.00 74.22 H new ATOM 0 HG21 ILE A 87 -1.225 4.825 12.892 1.00 0.53 H new ATOM 0 HG22 ILE A 87 -1.560 4.007 11.347 1.00 0.53 H new ATOM 0 HG23 ILE A 87 -1.123 3.052 12.783 1.00 0.53 H new ATOM 0 HD11 ILE A 87 3.305 4.865 13.908 1.00 52.15 H new ATOM 0 HD12 ILE A 87 3.344 4.152 12.278 1.00 52.15 H new ATOM 0 HD13 ILE A 87 2.718 5.801 12.512 1.00 52.15 H new ATOM 1170 N ASN A 88 1.966 3.763 8.941 1.00 21.34 N ATOM 1171 CA ASN A 88 3.081 4.128 8.089 1.00 50.53 C ATOM 1172 C ASN A 88 3.476 5.547 8.395 1.00 14.40 C ATOM 1173 O ASN A 88 2.628 6.332 8.866 1.00 2.44 O ATOM 1174 CB ASN A 88 2.705 4.014 6.606 1.00 31.12 C ATOM 1175 CG ASN A 88 3.877 4.230 5.641 1.00 72.14 C ATOM 1176 OD1 ASN A 88 4.173 5.353 5.240 1.00 51.24 O ATOM 1177 ND2 ASN A 88 4.503 3.166 5.215 1.00 22.53 N ATOM 0 H ASN A 88 1.044 3.970 8.556 1.00 21.34 H new ATOM 0 HA ASN A 88 3.910 3.447 8.283 1.00 50.53 H new ATOM 0 HB2 ASN A 88 2.278 3.027 6.426 1.00 31.12 H new ATOM 0 HB3 ASN A 88 1.927 4.744 6.383 1.00 31.12 H new ATOM 0 HD21 ASN A 88 5.257 3.256 4.534 1.00 22.53 H new ATOM 0 HD22 ASN A 88 4.238 2.245 5.564 1.00 22.53 H new ATOM 1184 N VAL A 89 4.740 5.872 8.152 1.00 15.15 N ATOM 1185 CA VAL A 89 5.261 7.224 8.316 1.00 1.33 C ATOM 1186 C VAL A 89 4.378 8.244 7.569 1.00 53.01 C ATOM 1187 O VAL A 89 4.027 9.284 8.130 1.00 12.34 O ATOM 1188 CB VAL A 89 6.772 7.323 7.877 1.00 54.45 C ATOM 1189 CG1 VAL A 89 7.002 6.746 6.484 1.00 74.12 C ATOM 1190 CG2 VAL A 89 7.268 8.759 7.931 1.00 21.42 C ATOM 0 H VAL A 89 5.438 5.200 7.833 1.00 15.15 H new ATOM 0 HA VAL A 89 5.226 7.470 9.377 1.00 1.33 H new ATOM 0 HB VAL A 89 7.343 6.726 8.588 1.00 54.45 H new ATOM 0 HG11 VAL A 89 8.056 6.835 6.223 1.00 74.12 H new ATOM 0 HG12 VAL A 89 6.713 5.695 6.473 1.00 74.12 H new ATOM 0 HG13 VAL A 89 6.401 7.295 5.759 1.00 74.12 H new ATOM 0 HG21 VAL A 89 8.313 8.795 7.623 1.00 21.42 H new ATOM 0 HG22 VAL A 89 6.670 9.376 7.260 1.00 21.42 H new ATOM 0 HG23 VAL A 89 7.177 9.137 8.949 1.00 21.42 H new ATOM 1200 N SER A 90 3.990 7.893 6.330 1.00 13.00 N ATOM 1201 CA SER A 90 3.079 8.682 5.497 1.00 53.34 C ATOM 1202 C SER A 90 3.523 10.153 5.407 1.00 31.12 C ATOM 1203 O SER A 90 2.698 11.075 5.394 1.00 53.42 O ATOM 1204 CB SER A 90 1.670 8.555 6.081 1.00 60.52 C ATOM 1205 OG SER A 90 1.324 7.180 6.241 1.00 12.21 O ATOM 0 H SER A 90 4.309 7.037 5.876 1.00 13.00 H new ATOM 0 HA SER A 90 3.091 8.300 4.476 1.00 53.34 H new ATOM 0 HB2 SER A 90 1.620 9.064 7.043 1.00 60.52 H new ATOM 0 HB3 SER A 90 0.951 9.044 5.424 1.00 60.52 H new ATOM 0 HG SER A 90 1.605 6.873 7.128 1.00 12.21 H new ATOM 1211 N GLY A 91 4.822 10.348 5.238 1.00 75.41 N ATOM 1212 CA GLY A 91 5.396 11.671 5.254 1.00 42.13 C ATOM 1213 C GLY A 91 5.290 12.400 3.930 1.00 60.35 C ATOM 1214 O GLY A 91 6.281 12.952 3.437 1.00 14.42 O ATOM 0 H GLY A 91 5.496 9.597 5.088 1.00 75.41 H new ATOM 0 HA2 GLY A 91 4.901 12.262 6.024 1.00 42.13 H new ATOM 0 HA3 GLY A 91 6.447 11.598 5.535 1.00 42.13 H new ATOM 1218 N LYS A 92 4.111 12.405 3.351 1.00 22.34 N ATOM 1219 CA LYS A 92 3.868 13.127 2.122 1.00 21.21 C ATOM 1220 C LYS A 92 3.161 14.410 2.498 1.00 32.11 C ATOM 1221 O LYS A 92 2.718 14.552 3.639 1.00 52.35 O ATOM 1222 CB LYS A 92 2.984 12.329 1.142 1.00 33.43 C ATOM 1223 CG LYS A 92 3.476 10.917 0.813 1.00 63.42 C ATOM 1224 CD LYS A 92 2.749 10.327 -0.408 1.00 10.41 C ATOM 1225 CE LYS A 92 1.227 10.318 -0.254 1.00 3.44 C ATOM 1226 NZ LYS A 92 0.549 9.820 -1.477 1.00 3.15 N ATOM 0 H LYS A 92 3.297 11.911 3.716 1.00 22.34 H new ATOM 0 HA LYS A 92 4.817 13.310 1.618 1.00 21.21 H new ATOM 0 HB2 LYS A 92 1.980 12.257 1.561 1.00 33.43 H new ATOM 0 HB3 LYS A 92 2.902 12.892 0.213 1.00 33.43 H new ATOM 0 HG2 LYS A 92 4.549 10.942 0.620 1.00 63.42 H new ATOM 0 HG3 LYS A 92 3.322 10.269 1.676 1.00 63.42 H new ATOM 0 HD2 LYS A 92 3.015 10.902 -1.295 1.00 10.41 H new ATOM 0 HD3 LYS A 92 3.097 9.308 -0.573 1.00 10.41 H new ATOM 0 HE2 LYS A 92 0.952 9.691 0.594 1.00 3.44 H new ATOM 0 HE3 LYS A 92 0.879 11.327 -0.031 1.00 3.44 H new ATOM 0 HZ1 LYS A 92 -0.481 9.830 -1.331 1.00 3.15 H new ATOM 0 HZ2 LYS A 92 0.791 10.433 -2.282 1.00 3.15 H new ATOM 0 HZ3 LYS A 92 0.861 8.848 -1.676 1.00 3.15 H new ATOM 1240 N VAL A 93 3.053 15.337 1.587 1.00 12.32 N ATOM 1241 CA VAL A 93 2.352 16.568 1.884 1.00 74.13 C ATOM 1242 C VAL A 93 0.831 16.381 1.824 1.00 45.42 C ATOM 1243 O VAL A 93 0.217 16.391 0.756 1.00 20.53 O ATOM 1244 CB VAL A 93 2.824 17.778 1.007 1.00 30.03 C ATOM 1245 CG1 VAL A 93 4.247 18.152 1.365 1.00 62.34 C ATOM 1246 CG2 VAL A 93 2.732 17.475 -0.491 1.00 70.51 C ATOM 0 H VAL A 93 3.434 15.272 0.643 1.00 12.32 H new ATOM 0 HA VAL A 93 2.615 16.824 2.910 1.00 74.13 H new ATOM 0 HB VAL A 93 2.156 18.613 1.218 1.00 30.03 H new ATOM 0 HG11 VAL A 93 4.567 18.994 0.751 1.00 62.34 H new ATOM 0 HG12 VAL A 93 4.296 18.431 2.418 1.00 62.34 H new ATOM 0 HG13 VAL A 93 4.903 17.301 1.185 1.00 62.34 H new ATOM 0 HG21 VAL A 93 3.069 18.342 -1.059 1.00 70.51 H new ATOM 0 HG22 VAL A 93 3.363 16.618 -0.728 1.00 70.51 H new ATOM 0 HG23 VAL A 93 1.699 17.249 -0.754 1.00 70.51 H new ATOM 1256 N LYS A 94 0.226 16.136 2.961 1.00 32.33 N ATOM 1257 CA LYS A 94 -1.206 15.992 2.994 1.00 64.21 C ATOM 1258 C LYS A 94 -1.874 17.317 3.284 1.00 61.40 C ATOM 1259 O LYS A 94 -1.676 17.918 4.343 1.00 73.41 O ATOM 1260 CB LYS A 94 -1.741 14.849 3.916 1.00 32.10 C ATOM 1261 CG LYS A 94 -1.320 14.868 5.389 1.00 61.23 C ATOM 1262 CD LYS A 94 0.061 14.273 5.602 1.00 63.03 C ATOM 1263 CE LYS A 94 0.451 14.270 7.075 1.00 24.45 C ATOM 1264 NZ LYS A 94 -0.527 13.540 7.920 1.00 12.54 N ATOM 0 H LYS A 94 0.695 16.034 3.861 1.00 32.33 H new ATOM 0 HA LYS A 94 -1.484 15.668 1.991 1.00 64.21 H new ATOM 0 HB2 LYS A 94 -2.830 14.869 3.878 1.00 32.10 H new ATOM 0 HB3 LYS A 94 -1.425 13.897 3.489 1.00 32.10 H new ATOM 0 HG2 LYS A 94 -1.331 15.895 5.754 1.00 61.23 H new ATOM 0 HG3 LYS A 94 -2.048 14.312 5.980 1.00 61.23 H new ATOM 0 HD2 LYS A 94 0.081 13.253 5.218 1.00 63.03 H new ATOM 0 HD3 LYS A 94 0.795 14.843 5.032 1.00 63.03 H new ATOM 0 HE2 LYS A 94 1.435 13.814 7.186 1.00 24.45 H new ATOM 0 HE3 LYS A 94 0.535 15.298 7.427 1.00 24.45 H new ATOM 0 HZ1 LYS A 94 -0.117 13.375 8.862 1.00 12.54 H new ATOM 0 HZ2 LYS A 94 -1.395 14.106 8.014 1.00 12.54 H new ATOM 0 HZ3 LYS A 94 -0.755 12.627 7.477 1.00 12.54 H new ATOM 1278 N GLU A 95 -2.641 17.767 2.313 1.00 30.14 N ATOM 1279 CA GLU A 95 -3.368 19.030 2.371 1.00 0.13 C ATOM 1280 C GLU A 95 -4.448 19.011 3.452 1.00 65.44 C ATOM 1281 O GLU A 95 -4.820 20.055 4.008 1.00 41.22 O ATOM 1282 CB GLU A 95 -3.961 19.327 1.001 1.00 33.21 C ATOM 1283 CG GLU A 95 -4.791 18.188 0.432 1.00 32.22 C ATOM 1284 CD GLU A 95 -5.355 18.505 -0.911 1.00 74.32 C ATOM 1285 OE1 GLU A 95 -6.379 19.196 -0.979 1.00 64.44 O ATOM 1286 OE2 GLU A 95 -4.792 18.059 -1.927 1.00 23.21 O ATOM 0 H GLU A 95 -2.783 17.258 1.440 1.00 30.14 H new ATOM 0 HA GLU A 95 -2.673 19.825 2.641 1.00 0.13 H new ATOM 0 HB2 GLU A 95 -4.584 20.219 1.071 1.00 33.21 H new ATOM 0 HB3 GLU A 95 -3.152 19.557 0.307 1.00 33.21 H new ATOM 0 HG2 GLU A 95 -4.173 17.293 0.360 1.00 32.22 H new ATOM 0 HG3 GLU A 95 -5.605 17.958 1.119 1.00 32.22 H new ATOM 1293 N GLY A 96 -4.951 17.838 3.716 1.00 61.52 N ATOM 1294 CA GLY A 96 -5.895 17.640 4.762 1.00 53.33 C ATOM 1295 C GLY A 96 -5.374 16.586 5.691 1.00 43.05 C ATOM 1296 O GLY A 96 -4.666 16.890 6.669 1.00 62.03 O ATOM 0 H GLY A 96 -4.711 16.990 3.203 1.00 61.52 H new ATOM 0 HA2 GLY A 96 -6.059 18.572 5.303 1.00 53.33 H new ATOM 0 HA3 GLY A 96 -6.857 17.337 4.349 1.00 53.33 H new ATOM 1300 N GLU A 97 -5.683 15.345 5.375 1.00 22.40 N ATOM 1301 CA GLU A 97 -5.193 14.206 6.098 1.00 31.35 C ATOM 1302 C GLU A 97 -5.458 12.947 5.323 1.00 53.33 C ATOM 1303 O GLU A 97 -6.377 12.896 4.493 1.00 71.24 O ATOM 1304 CB GLU A 97 -5.751 14.118 7.518 1.00 40.55 C ATOM 1305 CG GLU A 97 -7.251 14.116 7.638 1.00 2.23 C ATOM 1306 CD GLU A 97 -7.674 14.047 9.071 1.00 2.11 C ATOM 1307 OE1 GLU A 97 -8.299 13.053 9.464 1.00 24.51 O ATOM 1308 OE2 GLU A 97 -7.390 14.997 9.840 1.00 62.24 O ATOM 0 H GLU A 97 -6.293 15.103 4.594 1.00 22.40 H new ATOM 0 HA GLU A 97 -4.116 14.331 6.208 1.00 31.35 H new ATOM 0 HB2 GLU A 97 -5.368 13.209 7.982 1.00 40.55 H new ATOM 0 HB3 GLU A 97 -5.361 14.958 8.093 1.00 40.55 H new ATOM 0 HG2 GLU A 97 -7.657 15.017 7.178 1.00 2.23 H new ATOM 0 HG3 GLU A 97 -7.662 13.266 7.092 1.00 2.23 H new ATOM 1315 N GLY A 98 -4.648 11.968 5.573 1.00 32.32 N ATOM 1316 CA GLY A 98 -4.754 10.703 4.925 1.00 75.31 C ATOM 1317 C GLY A 98 -4.170 9.657 5.812 1.00 2.43 C ATOM 1318 O GLY A 98 -3.173 9.916 6.495 1.00 21.50 O ATOM 0 H GLY A 98 -3.882 12.028 6.244 1.00 32.32 H new ATOM 0 HA2 GLY A 98 -5.798 10.475 4.710 1.00 75.31 H new ATOM 0 HA3 GLY A 98 -4.229 10.723 3.970 1.00 75.31 H new ATOM 1322 N TYR A 99 -4.767 8.515 5.848 1.00 44.13 N ATOM 1323 CA TYR A 99 -4.309 7.463 6.706 1.00 21.12 C ATOM 1324 C TYR A 99 -3.692 6.411 5.837 1.00 41.12 C ATOM 1325 O TYR A 99 -4.094 6.263 4.675 1.00 4.04 O ATOM 1326 CB TYR A 99 -5.490 6.837 7.476 1.00 45.30 C ATOM 1327 CG TYR A 99 -6.503 7.837 7.988 1.00 60.42 C ATOM 1328 CD1 TYR A 99 -7.827 7.748 7.594 1.00 20.42 C ATOM 1329 CD2 TYR A 99 -6.136 8.882 8.826 1.00 2.31 C ATOM 1330 CE1 TYR A 99 -8.761 8.656 8.006 1.00 52.12 C ATOM 1331 CE2 TYR A 99 -7.067 9.801 9.256 1.00 70.13 C ATOM 1332 CZ TYR A 99 -8.380 9.689 8.841 1.00 2.32 C ATOM 1333 OH TYR A 99 -9.307 10.618 9.261 1.00 61.32 O ATOM 0 H TYR A 99 -5.585 8.279 5.287 1.00 44.13 H new ATOM 0 HA TYR A 99 -3.595 7.860 7.427 1.00 21.12 H new ATOM 0 HB2 TYR A 99 -5.997 6.126 6.824 1.00 45.30 H new ATOM 0 HB3 TYR A 99 -5.098 6.271 8.321 1.00 45.30 H new ATOM 0 HD1 TYR A 99 -8.129 6.940 6.944 1.00 20.42 H new ATOM 0 HD2 TYR A 99 -5.108 8.975 9.144 1.00 2.31 H new ATOM 0 HE1 TYR A 99 -9.787 8.567 7.682 1.00 52.12 H new ATOM 0 HE2 TYR A 99 -6.772 10.605 9.914 1.00 70.13 H new ATOM 0 HH TYR A 99 -8.844 11.411 9.603 1.00 61.32 H new ATOM 1343 N LYS A 100 -2.745 5.698 6.361 1.00 33.33 N ATOM 1344 CA LYS A 100 -2.150 4.620 5.653 1.00 54.01 C ATOM 1345 C LYS A 100 -1.689 3.584 6.623 1.00 54.11 C ATOM 1346 O LYS A 100 -0.708 3.774 7.369 1.00 40.23 O ATOM 1347 CB LYS A 100 -1.030 5.022 4.686 1.00 41.33 C ATOM 1348 CG LYS A 100 -0.592 3.829 3.837 1.00 31.45 C ATOM 1349 CD LYS A 100 0.383 4.182 2.735 1.00 13.32 C ATOM 1350 CE LYS A 100 1.718 4.638 3.249 1.00 24.43 C ATOM 1351 NZ LYS A 100 2.681 4.831 2.151 1.00 43.13 N ATOM 0 H LYS A 100 -2.365 5.851 7.295 1.00 33.33 H new ATOM 0 HA LYS A 100 -2.926 4.211 5.006 1.00 54.01 H new ATOM 0 HB2 LYS A 100 -1.375 5.828 4.038 1.00 41.33 H new ATOM 0 HB3 LYS A 100 -0.179 5.406 5.248 1.00 41.33 H new ATOM 0 HG2 LYS A 100 -0.135 3.082 4.487 1.00 31.45 H new ATOM 0 HG3 LYS A 100 -1.475 3.368 3.393 1.00 31.45 H new ATOM 0 HD2 LYS A 100 0.526 3.313 2.093 1.00 13.32 H new ATOM 0 HD3 LYS A 100 -0.048 4.968 2.115 1.00 13.32 H new ATOM 0 HE2 LYS A 100 1.598 5.572 3.798 1.00 24.43 H new ATOM 0 HE3 LYS A 100 2.109 3.903 3.952 1.00 24.43 H new ATOM 0 HZ1 LYS A 100 3.565 5.226 2.530 1.00 43.13 H new ATOM 0 HZ2 LYS A 100 2.877 3.916 1.697 1.00 43.13 H new ATOM 0 HZ3 LYS A 100 2.281 5.487 1.450 1.00 43.13 H new ATOM 1365 N LEU A 101 -2.398 2.516 6.626 1.00 32.04 N ATOM 1366 CA LEU A 101 -2.145 1.427 7.528 1.00 3.42 C ATOM 1367 C LEU A 101 -1.429 0.352 6.765 1.00 5.41 C ATOM 1368 O LEU A 101 -1.808 0.054 5.631 1.00 21.00 O ATOM 1369 CB LEU A 101 -3.469 0.917 8.090 1.00 53.32 C ATOM 1370 CG LEU A 101 -4.309 1.972 8.823 1.00 61.11 C ATOM 1371 CD1 LEU A 101 -5.664 1.426 9.196 1.00 73.43 C ATOM 1372 CD2 LEU A 101 -3.588 2.475 10.063 1.00 15.10 C ATOM 0 H LEU A 101 -3.185 2.360 5.997 1.00 32.04 H new ATOM 0 HA LEU A 101 -1.527 1.747 8.367 1.00 3.42 H new ATOM 0 HB2 LEU A 101 -4.061 0.507 7.271 1.00 53.32 H new ATOM 0 HB3 LEU A 101 -3.263 0.096 8.777 1.00 53.32 H new ATOM 0 HG LEU A 101 -4.452 2.810 8.140 1.00 61.11 H new ATOM 0 HD11 LEU A 101 -6.236 2.196 9.714 1.00 73.43 H new ATOM 0 HD12 LEU A 101 -6.196 1.124 8.294 1.00 73.43 H new ATOM 0 HD13 LEU A 101 -5.541 0.563 9.851 1.00 73.43 H new ATOM 0 HD21 LEU A 101 -4.204 3.221 10.564 1.00 15.10 H new ATOM 0 HD22 LEU A 101 -3.405 1.641 10.741 1.00 15.10 H new ATOM 0 HD23 LEU A 101 -2.637 2.924 9.774 1.00 15.10 H new ATOM 1384 N VAL A 102 -0.387 -0.196 7.338 1.00 3.45 N ATOM 1385 CA VAL A 102 0.402 -1.180 6.642 1.00 64.32 C ATOM 1386 C VAL A 102 0.401 -2.473 7.391 1.00 1.35 C ATOM 1387 O VAL A 102 0.672 -2.503 8.583 1.00 10.41 O ATOM 1388 CB VAL A 102 1.875 -0.760 6.492 1.00 54.04 C ATOM 1389 CG1 VAL A 102 2.605 -1.633 5.474 1.00 45.21 C ATOM 1390 CG2 VAL A 102 2.029 0.706 6.190 1.00 45.24 C ATOM 0 H VAL A 102 -0.066 0.022 8.281 1.00 3.45 H new ATOM 0 HA VAL A 102 -0.052 -1.281 5.656 1.00 64.32 H new ATOM 0 HB VAL A 102 2.349 -0.923 7.460 1.00 54.04 H new ATOM 0 HG11 VAL A 102 3.642 -1.308 5.394 1.00 45.21 H new ATOM 0 HG12 VAL A 102 2.575 -2.673 5.798 1.00 45.21 H new ATOM 0 HG13 VAL A 102 2.120 -1.542 4.502 1.00 45.21 H new ATOM 0 HG21 VAL A 102 3.087 0.949 6.094 1.00 45.24 H new ATOM 0 HG22 VAL A 102 1.517 0.941 5.257 1.00 45.24 H new ATOM 0 HG23 VAL A 102 1.594 1.292 7.000 1.00 45.24 H new ATOM 1400 N TRP A 103 0.097 -3.510 6.705 1.00 42.21 N ATOM 1401 CA TRP A 103 0.188 -4.825 7.221 1.00 73.10 C ATOM 1402 C TRP A 103 1.458 -5.413 6.714 1.00 54.42 C ATOM 1403 O TRP A 103 1.737 -5.370 5.516 1.00 44.35 O ATOM 1404 CB TRP A 103 -0.991 -5.685 6.784 1.00 24.05 C ATOM 1405 CG TRP A 103 -2.296 -5.245 7.339 1.00 54.02 C ATOM 1406 CD1 TRP A 103 -2.959 -5.806 8.380 1.00 52.21 C ATOM 1407 CD2 TRP A 103 -3.091 -4.148 6.894 1.00 4.35 C ATOM 1408 NE1 TRP A 103 -4.126 -5.116 8.616 1.00 22.12 N ATOM 1409 CE2 TRP A 103 -4.226 -4.098 7.708 1.00 4.32 C ATOM 1410 CE3 TRP A 103 -2.949 -3.202 5.882 1.00 75.55 C ATOM 1411 CZ2 TRP A 103 -5.209 -3.142 7.541 1.00 2.33 C ATOM 1412 CZ3 TRP A 103 -3.919 -2.260 5.719 1.00 45.00 C ATOM 1413 CH2 TRP A 103 -5.031 -2.233 6.538 1.00 53.54 C ATOM 0 H TRP A 103 -0.232 -3.467 5.740 1.00 42.21 H new ATOM 0 HA TRP A 103 0.172 -4.791 8.310 1.00 73.10 H new ATOM 0 HB2 TRP A 103 -1.049 -5.678 5.696 1.00 24.05 H new ATOM 0 HB3 TRP A 103 -0.808 -6.716 7.087 1.00 24.05 H new ATOM 0 HD1 TRP A 103 -2.622 -6.666 8.940 1.00 52.21 H new ATOM 0 HE1 TRP A 103 -4.804 -5.329 9.347 1.00 22.12 H new ATOM 0 HE3 TRP A 103 -2.083 -3.215 5.237 1.00 75.55 H new ATOM 0 HZ2 TRP A 103 -6.081 -3.115 8.177 1.00 2.33 H new ATOM 0 HZ3 TRP A 103 -3.817 -1.522 4.937 1.00 45.00 H new ATOM 0 HH2 TRP A 103 -5.781 -1.472 6.381 1.00 53.54 H new ATOM 1424 N LYS A 104 2.235 -5.909 7.599 1.00 42.54 N ATOM 1425 CA LYS A 104 3.477 -6.511 7.252 1.00 60.13 C ATOM 1426 C LYS A 104 3.367 -7.991 7.541 1.00 0.34 C ATOM 1427 O LYS A 104 3.098 -8.397 8.684 1.00 21.03 O ATOM 1428 CB LYS A 104 4.614 -5.864 8.052 1.00 12.32 C ATOM 1429 CG LYS A 104 4.819 -4.373 7.766 1.00 64.11 C ATOM 1430 CD LYS A 104 5.814 -3.755 8.738 1.00 2.12 C ATOM 1431 CE LYS A 104 6.089 -2.281 8.430 1.00 52.44 C ATOM 1432 NZ LYS A 104 6.802 -2.081 7.145 1.00 23.43 N ATOM 0 H LYS A 104 2.031 -5.912 8.598 1.00 42.54 H new ATOM 0 HA LYS A 104 3.702 -6.363 6.196 1.00 60.13 H new ATOM 0 HB2 LYS A 104 4.413 -5.993 9.116 1.00 12.32 H new ATOM 0 HB3 LYS A 104 5.542 -6.394 7.836 1.00 12.32 H new ATOM 0 HG2 LYS A 104 5.176 -4.242 6.745 1.00 64.11 H new ATOM 0 HG3 LYS A 104 3.864 -3.852 7.839 1.00 64.11 H new ATOM 0 HD2 LYS A 104 5.430 -3.846 9.754 1.00 2.12 H new ATOM 0 HD3 LYS A 104 6.750 -4.312 8.700 1.00 2.12 H new ATOM 0 HE2 LYS A 104 5.144 -1.739 8.403 1.00 52.44 H new ATOM 0 HE3 LYS A 104 6.680 -1.851 9.238 1.00 52.44 H new ATOM 0 HZ1 LYS A 104 7.005 -1.069 7.015 1.00 23.43 H new ATOM 0 HZ2 LYS A 104 7.694 -2.615 7.156 1.00 23.43 H new ATOM 0 HZ3 LYS A 104 6.207 -2.418 6.362 1.00 23.43 H new ATOM 1446 N SER A 105 3.540 -8.770 6.514 1.00 14.22 N ATOM 1447 CA SER A 105 3.396 -10.204 6.557 1.00 5.25 C ATOM 1448 C SER A 105 4.707 -10.862 7.007 1.00 64.04 C ATOM 1449 O SER A 105 5.691 -10.170 7.321 1.00 10.41 O ATOM 1450 CB SER A 105 2.959 -10.687 5.151 1.00 75.30 C ATOM 1451 OG SER A 105 2.781 -12.093 5.057 1.00 23.41 O ATOM 0 H SER A 105 3.794 -8.418 5.591 1.00 14.22 H new ATOM 0 HA SER A 105 2.637 -10.491 7.284 1.00 5.25 H new ATOM 0 HB2 SER A 105 2.025 -10.193 4.882 1.00 75.30 H new ATOM 0 HB3 SER A 105 3.707 -10.375 4.422 1.00 75.30 H new ATOM 0 HG SER A 105 3.071 -12.401 4.173 1.00 23.41 H new ATOM 1457 N ALA A 106 4.710 -12.176 7.008 1.00 51.23 N ATOM 1458 CA ALA A 106 5.826 -12.964 7.442 1.00 64.42 C ATOM 1459 C ALA A 106 7.010 -12.795 6.512 1.00 31.22 C ATOM 1460 O ALA A 106 6.899 -12.971 5.279 1.00 32.21 O ATOM 1461 CB ALA A 106 5.433 -14.418 7.550 1.00 72.02 C ATOM 0 H ALA A 106 3.914 -12.733 6.698 1.00 51.23 H new ATOM 0 HA ALA A 106 6.126 -12.612 8.429 1.00 64.42 H new ATOM 0 HB1 ALA A 106 6.291 -15.003 7.881 1.00 72.02 H new ATOM 0 HB2 ALA A 106 4.622 -14.523 8.271 1.00 72.02 H new ATOM 0 HB3 ALA A 106 5.101 -14.779 6.576 1.00 72.02 H new ATOM 1467 N ALA A 107 8.113 -12.435 7.097 1.00 73.40 N ATOM 1468 CA ALA A 107 9.339 -12.226 6.395 1.00 53.13 C ATOM 1469 C ALA A 107 10.028 -13.551 6.199 1.00 33.11 C ATOM 1470 O ALA A 107 10.388 -14.228 7.166 1.00 22.22 O ATOM 1471 CB ALA A 107 10.223 -11.269 7.167 1.00 43.41 C ATOM 0 H ALA A 107 8.184 -12.275 8.102 1.00 73.40 H new ATOM 0 HA ALA A 107 9.134 -11.785 5.420 1.00 53.13 H new ATOM 0 HB1 ALA A 107 11.155 -11.116 6.624 1.00 43.41 H new ATOM 0 HB2 ALA A 107 9.710 -10.314 7.284 1.00 43.41 H new ATOM 0 HB3 ALA A 107 10.440 -11.687 8.150 1.00 43.41 H new ATOM 1477 N GLN A 108 10.178 -13.926 4.976 1.00 41.12 N ATOM 1478 CA GLN A 108 10.767 -15.190 4.631 1.00 54.42 C ATOM 1479 C GLN A 108 12.245 -14.986 4.380 1.00 62.13 C ATOM 1480 O GLN A 108 12.643 -13.936 3.878 1.00 34.52 O ATOM 1481 CB GLN A 108 10.089 -15.758 3.380 1.00 23.53 C ATOM 1482 CG GLN A 108 8.565 -15.836 3.481 1.00 2.53 C ATOM 1483 CD GLN A 108 8.069 -16.727 4.605 1.00 52.44 C ATOM 1484 OE1 GLN A 108 8.710 -17.705 4.970 1.00 54.44 O ATOM 1485 NE2 GLN A 108 6.931 -16.391 5.159 1.00 43.12 N ATOM 0 H GLN A 108 9.895 -13.364 4.173 1.00 41.12 H new ATOM 0 HA GLN A 108 10.630 -15.899 5.448 1.00 54.42 H new ATOM 0 HB2 GLN A 108 10.355 -15.140 2.522 1.00 23.53 H new ATOM 0 HB3 GLN A 108 10.482 -16.756 3.188 1.00 23.53 H new ATOM 0 HG2 GLN A 108 8.168 -14.831 3.625 1.00 2.53 H new ATOM 0 HG3 GLN A 108 8.166 -16.204 2.536 1.00 2.53 H new ATOM 0 HE21 GLN A 108 6.426 -15.569 4.828 1.00 43.12 H new ATOM 0 HE22 GLN A 108 6.550 -16.951 5.922 1.00 43.12 H new ATOM 1494 N ARG A 109 13.045 -15.956 4.727 1.00 24.42 N ATOM 1495 CA ARG A 109 14.489 -15.861 4.573 1.00 2.32 C ATOM 1496 C ARG A 109 14.907 -16.005 3.109 1.00 3.21 C ATOM 1497 O ARG A 109 14.144 -16.521 2.272 1.00 52.10 O ATOM 1498 CB ARG A 109 15.216 -16.886 5.461 1.00 35.33 C ATOM 1499 CG ARG A 109 14.905 -18.336 5.135 1.00 31.20 C ATOM 1500 CD ARG A 109 15.625 -19.286 6.072 1.00 42.15 C ATOM 1501 NE ARG A 109 17.092 -19.190 5.969 1.00 32.41 N ATOM 1502 CZ ARG A 109 17.947 -19.386 6.988 1.00 64.01 C ATOM 1503 NH1 ARG A 109 17.488 -19.625 8.219 1.00 34.02 N ATOM 1504 NH2 ARG A 109 19.258 -19.343 6.776 1.00 52.34 N ATOM 0 H ARG A 109 12.725 -16.839 5.125 1.00 24.42 H new ATOM 0 HA ARG A 109 14.786 -14.866 4.904 1.00 2.32 H new ATOM 0 HB2 ARG A 109 16.291 -16.729 5.370 1.00 35.33 H new ATOM 0 HB3 ARG A 109 14.953 -16.697 6.502 1.00 35.33 H new ATOM 0 HG2 ARG A 109 13.830 -18.502 5.203 1.00 31.20 H new ATOM 0 HG3 ARG A 109 15.196 -18.549 4.106 1.00 31.20 H new ATOM 0 HD2 ARG A 109 15.323 -19.075 7.098 1.00 42.15 H new ATOM 0 HD3 ARG A 109 15.316 -20.308 5.853 1.00 42.15 H new ATOM 0 HE ARG A 109 17.488 -18.958 5.058 1.00 32.41 H new ATOM 0 HH11 ARG A 109 16.483 -19.660 8.391 1.00 34.02 H new ATOM 0 HH12 ARG A 109 18.142 -19.773 8.987 1.00 34.02 H new ATOM 0 HH21 ARG A 109 19.617 -19.161 5.839 1.00 52.34 H new ATOM 0 HH22 ARG A 109 19.905 -19.492 7.550 1.00 52.34 H new ATOM 1518 N SER A 110 16.078 -15.519 2.806 1.00 63.20 N ATOM 1519 CA SER A 110 16.632 -15.582 1.491 1.00 4.14 C ATOM 1520 C SER A 110 18.129 -15.845 1.668 1.00 53.12 C ATOM 1521 O SER A 110 18.727 -15.370 2.643 1.00 43.44 O ATOM 1522 CB SER A 110 16.357 -14.247 0.767 1.00 52.12 C ATOM 1523 OG SER A 110 16.700 -14.290 -0.607 1.00 65.11 O ATOM 0 H SER A 110 16.684 -15.058 3.485 1.00 63.20 H new ATOM 0 HA SER A 110 16.190 -16.372 0.883 1.00 4.14 H new ATOM 0 HB2 SER A 110 15.301 -13.995 0.866 1.00 52.12 H new ATOM 0 HB3 SER A 110 16.921 -13.451 1.254 1.00 52.12 H new ATOM 0 HG SER A 110 17.363 -13.595 -0.801 1.00 65.11 H new ATOM 1529 N HIS A 111 18.745 -16.569 0.742 1.00 74.23 N ATOM 1530 CA HIS A 111 20.140 -17.005 0.917 1.00 1.15 C ATOM 1531 C HIS A 111 21.135 -15.826 0.777 1.00 54.34 C ATOM 1532 O HIS A 111 22.326 -15.935 1.106 1.00 3.14 O ATOM 1533 CB HIS A 111 20.474 -18.140 -0.063 1.00 72.12 C ATOM 1534 CG HIS A 111 21.660 -18.958 0.353 1.00 75.15 C ATOM 1535 ND1 HIS A 111 22.908 -18.877 -0.219 1.00 24.15 N ATOM 1536 CD2 HIS A 111 21.753 -19.897 1.319 1.00 43.23 C ATOM 1537 CE1 HIS A 111 23.702 -19.750 0.402 1.00 21.43 C ATOM 1538 NE2 HIS A 111 23.047 -20.396 1.350 1.00 62.31 N ATOM 0 H HIS A 111 18.313 -16.868 -0.132 1.00 74.23 H new ATOM 0 HA HIS A 111 20.245 -17.387 1.932 1.00 1.15 H new ATOM 0 HB2 HIS A 111 19.607 -18.794 -0.159 1.00 72.12 H new ATOM 0 HB3 HIS A 111 20.663 -17.715 -1.049 1.00 72.12 H new ATOM 0 HD2 HIS A 111 20.947 -20.210 1.966 1.00 43.23 H new ATOM 0 HE1 HIS A 111 24.743 -19.908 0.162 1.00 21.43 H new ATOM 0 HE2 HIS A 111 23.416 -21.113 1.975 1.00 62.31 H new ATOM 1546 N ASP A 112 20.625 -14.708 0.319 1.00 72.20 N ATOM 1547 CA ASP A 112 21.397 -13.463 0.170 1.00 54.01 C ATOM 1548 C ASP A 112 21.291 -12.586 1.404 1.00 32.24 C ATOM 1549 O ASP A 112 21.599 -11.399 1.363 1.00 11.42 O ATOM 1550 CB ASP A 112 21.000 -12.684 -1.095 1.00 2.21 C ATOM 1551 CG ASP A 112 19.637 -13.022 -1.585 1.00 55.32 C ATOM 1552 OD1 ASP A 112 19.526 -13.762 -2.579 1.00 5.15 O ATOM 1553 OD2 ASP A 112 18.648 -12.594 -0.983 1.00 72.10 O ATOM 0 H ASP A 112 19.651 -14.619 0.031 1.00 72.20 H new ATOM 0 HA ASP A 112 22.441 -13.756 0.058 1.00 54.01 H new ATOM 0 HB2 ASP A 112 21.050 -11.615 -0.887 1.00 2.21 H new ATOM 0 HB3 ASP A 112 21.724 -12.890 -1.883 1.00 2.21 H new ATOM 1558 N GLN A 113 20.848 -13.204 2.503 1.00 20.40 N ATOM 1559 CA GLN A 113 20.792 -12.607 3.859 1.00 40.21 C ATOM 1560 C GLN A 113 19.704 -11.557 4.005 1.00 65.33 C ATOM 1561 O GLN A 113 19.625 -10.877 5.026 1.00 40.12 O ATOM 1562 CB GLN A 113 22.150 -12.014 4.282 1.00 22.35 C ATOM 1563 CG GLN A 113 23.298 -12.999 4.255 1.00 74.20 C ATOM 1564 CD GLN A 113 24.609 -12.359 4.640 1.00 71.52 C ATOM 1565 OE1 GLN A 113 24.991 -12.346 5.809 1.00 64.44 O ATOM 1566 NE2 GLN A 113 25.305 -11.824 3.675 1.00 31.44 N ATOM 0 H GLN A 113 20.505 -14.165 2.483 1.00 20.40 H new ATOM 0 HA GLN A 113 20.543 -13.433 4.526 1.00 40.21 H new ATOM 0 HB2 GLN A 113 22.389 -11.179 3.624 1.00 22.35 H new ATOM 0 HB3 GLN A 113 22.058 -11.610 5.290 1.00 22.35 H new ATOM 0 HG2 GLN A 113 23.084 -13.822 4.937 1.00 74.20 H new ATOM 0 HG3 GLN A 113 23.384 -13.426 3.256 1.00 74.20 H new ATOM 0 HE21 GLN A 113 24.956 -11.854 2.717 1.00 31.44 H new ATOM 0 HE22 GLN A 113 26.198 -11.376 3.878 1.00 31.44 H new ATOM 1575 N LYS A 114 18.848 -11.448 3.040 1.00 21.34 N ATOM 1576 CA LYS A 114 17.768 -10.511 3.148 1.00 1.32 C ATOM 1577 C LYS A 114 16.479 -11.272 3.349 1.00 24.22 C ATOM 1578 O LYS A 114 16.489 -12.505 3.389 1.00 52.24 O ATOM 1579 CB LYS A 114 17.704 -9.557 1.945 1.00 2.21 C ATOM 1580 CG LYS A 114 17.371 -10.190 0.605 1.00 63.44 C ATOM 1581 CD LYS A 114 17.337 -9.121 -0.471 1.00 63.23 C ATOM 1582 CE LYS A 114 16.865 -9.649 -1.812 1.00 73.13 C ATOM 1583 NZ LYS A 114 17.842 -10.550 -2.430 1.00 14.33 N ATOM 0 H LYS A 114 18.871 -11.988 2.175 1.00 21.34 H new ATOM 0 HA LYS A 114 17.937 -9.871 4.014 1.00 1.32 H new ATOM 0 HB2 LYS A 114 16.960 -8.789 2.156 1.00 2.21 H new ATOM 0 HB3 LYS A 114 18.666 -9.052 1.856 1.00 2.21 H new ATOM 0 HG2 LYS A 114 18.114 -10.948 0.355 1.00 63.44 H new ATOM 0 HG3 LYS A 114 16.407 -10.695 0.660 1.00 63.44 H new ATOM 0 HD2 LYS A 114 16.679 -8.313 -0.152 1.00 63.23 H new ATOM 0 HD3 LYS A 114 18.334 -8.695 -0.584 1.00 63.23 H new ATOM 0 HE2 LYS A 114 15.920 -10.176 -1.680 1.00 73.13 H new ATOM 0 HE3 LYS A 114 16.672 -8.811 -2.482 1.00 73.13 H new ATOM 0 HZ1 LYS A 114 17.558 -10.751 -3.410 1.00 14.33 H new ATOM 0 HZ2 LYS A 114 18.780 -10.100 -2.427 1.00 14.33 H new ATOM 0 HZ3 LYS A 114 17.883 -11.439 -1.892 1.00 14.33 H new ATOM 1597 N ILE A 115 15.393 -10.578 3.491 1.00 71.21 N ATOM 1598 CA ILE A 115 14.131 -11.221 3.741 1.00 20.23 C ATOM 1599 C ILE A 115 13.058 -10.735 2.788 1.00 73.34 C ATOM 1600 O ILE A 115 13.068 -9.586 2.364 1.00 31.11 O ATOM 1601 CB ILE A 115 13.673 -11.061 5.223 1.00 22.12 C ATOM 1602 CG1 ILE A 115 13.816 -9.600 5.685 1.00 44.13 C ATOM 1603 CG2 ILE A 115 14.431 -12.019 6.139 1.00 73.30 C ATOM 1604 CD1 ILE A 115 13.400 -9.332 7.122 1.00 23.25 C ATOM 0 H ILE A 115 15.350 -9.560 3.439 1.00 71.21 H new ATOM 0 HA ILE A 115 14.283 -12.285 3.561 1.00 20.23 H new ATOM 0 HB ILE A 115 12.617 -11.323 5.283 1.00 22.12 H new ATOM 0 HG12 ILE A 115 14.856 -9.297 5.562 1.00 44.13 H new ATOM 0 HG13 ILE A 115 13.220 -8.968 5.027 1.00 44.13 H new ATOM 0 HG21 ILE A 115 14.091 -11.886 7.166 1.00 73.30 H new ATOM 0 HG22 ILE A 115 14.244 -13.046 5.826 1.00 73.30 H new ATOM 0 HG23 ILE A 115 15.499 -11.810 6.080 1.00 73.30 H new ATOM 0 HD11 ILE A 115 13.538 -8.275 7.350 1.00 23.25 H new ATOM 0 HD12 ILE A 115 12.351 -9.597 7.253 1.00 23.25 H new ATOM 0 HD13 ILE A 115 14.012 -9.931 7.796 1.00 23.25 H new ATOM 1616 N ARG A 116 12.178 -11.641 2.437 1.00 2.41 N ATOM 1617 CA ARG A 116 11.042 -11.390 1.567 1.00 71.53 C ATOM 1618 C ARG A 116 9.786 -11.354 2.404 1.00 11.54 C ATOM 1619 O ARG A 116 9.366 -12.375 2.929 1.00 74.01 O ATOM 1620 CB ARG A 116 10.913 -12.515 0.519 1.00 51.12 C ATOM 1621 CG ARG A 116 11.926 -12.477 -0.612 1.00 72.34 C ATOM 1622 CD ARG A 116 11.575 -11.393 -1.622 1.00 2.01 C ATOM 1623 NE ARG A 116 12.583 -11.264 -2.676 1.00 32.32 N ATOM 1624 CZ ARG A 116 12.600 -10.323 -3.641 1.00 11.52 C ATOM 1625 NH1 ARG A 116 11.576 -9.474 -3.794 1.00 44.25 N ATOM 1626 NH2 ARG A 116 13.614 -10.278 -4.489 1.00 44.42 N ATOM 0 H ARG A 116 12.230 -12.608 2.757 1.00 2.41 H new ATOM 0 HA ARG A 116 11.187 -10.439 1.054 1.00 71.53 H new ATOM 0 HB2 ARG A 116 11.001 -13.474 1.029 1.00 51.12 H new ATOM 0 HB3 ARG A 116 9.913 -12.473 0.088 1.00 51.12 H new ATOM 0 HG2 ARG A 116 12.921 -12.294 -0.208 1.00 72.34 H new ATOM 0 HG3 ARG A 116 11.958 -13.446 -1.110 1.00 72.34 H new ATOM 0 HD2 ARG A 116 10.609 -11.620 -2.073 1.00 2.01 H new ATOM 0 HD3 ARG A 116 11.470 -10.439 -1.105 1.00 2.01 H new ATOM 0 HE ARG A 116 13.340 -11.947 -2.680 1.00 32.32 H new ATOM 0 HH11 ARG A 116 10.767 -9.534 -3.175 1.00 44.25 H new ATOM 0 HH12 ARG A 116 11.605 -8.768 -4.529 1.00 44.25 H new ATOM 0 HH21 ARG A 116 14.375 -10.952 -4.410 1.00 44.42 H new ATOM 0 HH22 ARG A 116 13.635 -9.569 -5.222 1.00 44.42 H new ATOM 1640 N TRP A 117 9.216 -10.211 2.558 1.00 14.04 N ATOM 1641 CA TRP A 117 8.008 -10.075 3.336 1.00 70.21 C ATOM 1642 C TRP A 117 6.938 -9.489 2.445 1.00 22.12 C ATOM 1643 O TRP A 117 7.240 -8.991 1.383 1.00 3.20 O ATOM 1644 CB TRP A 117 8.248 -9.174 4.569 1.00 22.54 C ATOM 1645 CG TRP A 117 8.597 -7.748 4.238 1.00 60.13 C ATOM 1646 CD1 TRP A 117 7.726 -6.743 4.027 1.00 72.12 C ATOM 1647 CD2 TRP A 117 9.901 -7.176 4.089 1.00 20.30 C ATOM 1648 NE1 TRP A 117 8.394 -5.580 3.741 1.00 51.43 N ATOM 1649 CE2 TRP A 117 9.727 -5.818 3.776 1.00 44.34 C ATOM 1650 CE3 TRP A 117 11.188 -7.677 4.186 1.00 52.03 C ATOM 1651 CZ2 TRP A 117 10.790 -4.958 3.560 1.00 2.34 C ATOM 1652 CZ3 TRP A 117 12.250 -6.820 3.972 1.00 1.10 C ATOM 1653 CH2 TRP A 117 12.040 -5.477 3.664 1.00 20.44 C ATOM 0 H TRP A 117 9.562 -9.340 2.155 1.00 14.04 H new ATOM 0 HA TRP A 117 7.692 -11.051 3.705 1.00 70.21 H new ATOM 0 HB2 TRP A 117 7.352 -9.181 5.189 1.00 22.54 H new ATOM 0 HB3 TRP A 117 9.053 -9.603 5.166 1.00 22.54 H new ATOM 0 HD1 TRP A 117 6.651 -6.839 4.076 1.00 72.12 H new ATOM 0 HE1 TRP A 117 7.958 -4.681 3.535 1.00 51.43 H new ATOM 0 HE3 TRP A 117 11.358 -8.717 4.424 1.00 52.03 H new ATOM 0 HZ2 TRP A 117 10.631 -3.917 3.319 1.00 2.34 H new ATOM 0 HZ3 TRP A 117 13.260 -7.197 4.045 1.00 1.10 H new ATOM 0 HH2 TRP A 117 12.893 -4.834 3.504 1.00 20.44 H new ATOM 1664 N ASP A 118 5.714 -9.540 2.839 1.00 3.14 N ATOM 1665 CA ASP A 118 4.684 -8.940 2.024 1.00 21.11 C ATOM 1666 C ASP A 118 4.149 -7.776 2.787 1.00 34.11 C ATOM 1667 O ASP A 118 4.024 -7.849 4.008 1.00 62.43 O ATOM 1668 CB ASP A 118 3.516 -9.900 1.720 1.00 31.30 C ATOM 1669 CG ASP A 118 3.943 -11.328 1.426 1.00 62.41 C ATOM 1670 OD1 ASP A 118 3.863 -12.183 2.343 1.00 42.43 O ATOM 1671 OD2 ASP A 118 4.376 -11.624 0.290 1.00 34.44 O ATOM 0 H ASP A 118 5.392 -9.979 3.702 1.00 3.14 H new ATOM 0 HA ASP A 118 5.123 -8.660 1.066 1.00 21.11 H new ATOM 0 HB2 ASP A 118 2.834 -9.905 2.570 1.00 31.30 H new ATOM 0 HB3 ASP A 118 2.958 -9.516 0.866 1.00 31.30 H new ATOM 1676 N GLU A 119 3.874 -6.715 2.118 1.00 24.34 N ATOM 1677 CA GLU A 119 3.264 -5.566 2.767 1.00 42.05 C ATOM 1678 C GLU A 119 1.987 -5.193 2.102 1.00 33.32 C ATOM 1679 O GLU A 119 1.765 -5.499 0.924 1.00 31.24 O ATOM 1680 CB GLU A 119 4.172 -4.339 2.849 1.00 4.22 C ATOM 1681 CG GLU A 119 5.301 -4.480 3.819 1.00 52.15 C ATOM 1682 CD GLU A 119 6.107 -3.224 3.970 1.00 12.14 C ATOM 1683 OE1 GLU A 119 5.707 -2.327 4.732 1.00 34.33 O ATOM 1684 OE2 GLU A 119 7.185 -3.122 3.370 1.00 3.13 O ATOM 0 H GLU A 119 4.054 -6.599 1.121 1.00 24.34 H new ATOM 0 HA GLU A 119 3.075 -5.887 3.791 1.00 42.05 H new ATOM 0 HB2 GLU A 119 4.581 -4.136 1.859 1.00 4.22 H new ATOM 0 HB3 GLU A 119 3.571 -3.474 3.130 1.00 4.22 H new ATOM 0 HG2 GLU A 119 4.903 -4.768 4.792 1.00 52.15 H new ATOM 0 HG3 GLU A 119 5.956 -5.287 3.491 1.00 52.15 H new ATOM 1691 N ALA A 120 1.157 -4.566 2.848 1.00 3.32 N ATOM 1692 CA ALA A 120 -0.090 -4.086 2.380 1.00 4.10 C ATOM 1693 C ALA A 120 -0.343 -2.761 3.016 1.00 54.45 C ATOM 1694 O ALA A 120 -0.438 -2.684 4.208 1.00 15.41 O ATOM 1695 CB ALA A 120 -1.174 -5.055 2.775 1.00 62.41 C ATOM 0 H ALA A 120 1.331 -4.366 3.833 1.00 3.32 H new ATOM 0 HA ALA A 120 -0.081 -3.986 1.295 1.00 4.10 H new ATOM 0 HB1 ALA A 120 -2.137 -4.690 2.417 1.00 62.41 H new ATOM 0 HB2 ALA A 120 -0.969 -6.030 2.334 1.00 62.41 H new ATOM 0 HB3 ALA A 120 -1.202 -5.147 3.861 1.00 62.41 H new ATOM 1701 N GLU A 121 -0.433 -1.736 2.250 1.00 22.54 N ATOM 1702 CA GLU A 121 -0.679 -0.444 2.801 1.00 62.00 C ATOM 1703 C GLU A 121 -1.889 0.221 2.181 1.00 62.05 C ATOM 1704 O GLU A 121 -1.911 0.547 0.996 1.00 35.42 O ATOM 1705 CB GLU A 121 0.590 0.437 2.838 1.00 40.22 C ATOM 1706 CG GLU A 121 1.411 0.479 1.567 1.00 1.34 C ATOM 1707 CD GLU A 121 2.652 1.359 1.702 1.00 3.34 C ATOM 1708 OE1 GLU A 121 2.726 2.409 1.028 1.00 64.10 O ATOM 1709 OE2 GLU A 121 3.571 1.029 2.472 1.00 4.25 O ATOM 0 H GLU A 121 -0.340 -1.762 1.235 1.00 22.54 H new ATOM 0 HA GLU A 121 -0.943 -0.584 3.849 1.00 62.00 H new ATOM 0 HB2 GLU A 121 0.293 1.456 3.088 1.00 40.22 H new ATOM 0 HB3 GLU A 121 1.229 0.084 3.647 1.00 40.22 H new ATOM 0 HG2 GLU A 121 1.715 -0.533 1.301 1.00 1.34 H new ATOM 0 HG3 GLU A 121 0.792 0.852 0.751 1.00 1.34 H new ATOM 1716 N ALA A 122 -2.901 0.362 2.991 1.00 30.03 N ATOM 1717 CA ALA A 122 -4.160 0.938 2.617 1.00 11.13 C ATOM 1718 C ALA A 122 -4.171 2.424 2.946 1.00 24.43 C ATOM 1719 O ALA A 122 -3.929 2.814 4.095 1.00 75.24 O ATOM 1720 CB ALA A 122 -5.271 0.239 3.386 1.00 61.45 C ATOM 0 H ALA A 122 -2.869 0.067 3.967 1.00 30.03 H new ATOM 0 HA ALA A 122 -4.313 0.812 1.545 1.00 11.13 H new ATOM 0 HB1 ALA A 122 -6.233 0.670 3.108 1.00 61.45 H new ATOM 0 HB2 ALA A 122 -5.267 -0.824 3.145 1.00 61.45 H new ATOM 0 HB3 ALA A 122 -5.110 0.369 4.456 1.00 61.45 H new ATOM 1726 N TYR A 123 -4.448 3.224 1.941 1.00 23.12 N ATOM 1727 CA TYR A 123 -4.493 4.674 2.028 1.00 24.43 C ATOM 1728 C TYR A 123 -5.963 5.105 2.067 1.00 12.12 C ATOM 1729 O TYR A 123 -6.740 4.710 1.172 1.00 11.15 O ATOM 1730 CB TYR A 123 -3.940 5.324 0.744 1.00 61.31 C ATOM 1731 CG TYR A 123 -2.573 4.919 0.253 1.00 61.25 C ATOM 1732 CD1 TYR A 123 -2.346 3.658 -0.283 1.00 54.43 C ATOM 1733 CD2 TYR A 123 -1.536 5.826 0.249 1.00 23.34 C ATOM 1734 CE1 TYR A 123 -1.128 3.312 -0.811 1.00 32.01 C ATOM 1735 CE2 TYR A 123 -0.301 5.487 -0.262 1.00 45.32 C ATOM 1736 CZ TYR A 123 -0.103 4.230 -0.799 1.00 4.21 C ATOM 1737 OH TYR A 123 1.114 3.903 -1.350 1.00 50.14 O ATOM 0 H TYR A 123 -4.656 2.875 1.006 1.00 23.12 H new ATOM 0 HA TYR A 123 -3.917 4.972 2.904 1.00 24.43 H new ATOM 0 HB2 TYR A 123 -4.651 5.125 -0.058 1.00 61.31 H new ATOM 0 HB3 TYR A 123 -3.928 6.403 0.899 1.00 61.31 H new ATOM 0 HD1 TYR A 123 -3.147 2.933 -0.284 1.00 54.43 H new ATOM 0 HD2 TYR A 123 -1.693 6.816 0.652 1.00 23.34 H new ATOM 0 HE1 TYR A 123 -0.975 2.329 -1.232 1.00 32.01 H new ATOM 0 HE2 TYR A 123 0.508 6.202 -0.242 1.00 45.32 H new ATOM 0 HH TYR A 123 1.669 3.457 -0.676 1.00 50.14 H new ATOM 1747 N ILE A 124 -6.329 5.927 3.019 1.00 32.41 N ATOM 1748 CA ILE A 124 -7.705 6.450 3.144 1.00 60.01 C ATOM 1749 C ILE A 124 -7.638 7.962 3.335 1.00 40.12 C ATOM 1750 O ILE A 124 -6.722 8.442 3.985 1.00 53.23 O ATOM 1751 CB ILE A 124 -8.441 5.853 4.385 1.00 32.35 C ATOM 1752 CG1 ILE A 124 -8.507 4.329 4.329 1.00 14.24 C ATOM 1753 CG2 ILE A 124 -9.851 6.443 4.560 1.00 31.21 C ATOM 1754 CD1 ILE A 124 -9.256 3.739 5.499 1.00 63.35 C ATOM 0 H ILE A 124 -5.693 6.265 3.741 1.00 32.41 H new ATOM 0 HA ILE A 124 -8.250 6.175 2.241 1.00 60.01 H new ATOM 0 HB ILE A 124 -7.849 6.135 5.255 1.00 32.35 H new ATOM 0 HG12 ILE A 124 -8.990 4.023 3.401 1.00 14.24 H new ATOM 0 HG13 ILE A 124 -7.495 3.925 4.309 1.00 14.24 H new ATOM 0 HG21 ILE A 124 -10.325 5.999 5.435 1.00 31.21 H new ATOM 0 HG22 ILE A 124 -9.780 7.522 4.694 1.00 31.21 H new ATOM 0 HG23 ILE A 124 -10.449 6.226 3.674 1.00 31.21 H new ATOM 0 HD11 ILE A 124 -9.273 2.653 5.410 1.00 63.35 H new ATOM 0 HD12 ILE A 124 -8.759 4.019 6.428 1.00 63.35 H new ATOM 0 HD13 ILE A 124 -10.278 4.119 5.506 1.00 63.35 H new ATOM 1766 N TRP A 125 -8.582 8.701 2.784 1.00 53.40 N ATOM 1767 CA TRP A 125 -8.611 10.137 2.985 1.00 43.53 C ATOM 1768 C TRP A 125 -10.057 10.552 3.232 1.00 11.34 C ATOM 1769 O TRP A 125 -10.990 9.852 2.788 1.00 40.53 O ATOM 1770 CB TRP A 125 -7.997 10.912 1.775 1.00 12.43 C ATOM 1771 CG TRP A 125 -8.979 11.350 0.707 1.00 23.22 C ATOM 1772 CD1 TRP A 125 -9.378 12.630 0.462 1.00 73.13 C ATOM 1773 CD2 TRP A 125 -9.694 10.531 -0.223 1.00 63.30 C ATOM 1774 NE1 TRP A 125 -10.283 12.657 -0.557 1.00 1.12 N ATOM 1775 CE2 TRP A 125 -10.497 11.385 -0.998 1.00 61.14 C ATOM 1776 CE3 TRP A 125 -9.733 9.171 -0.476 1.00 72.45 C ATOM 1777 CZ2 TRP A 125 -11.325 10.916 -2.004 1.00 1.43 C ATOM 1778 CZ3 TRP A 125 -10.557 8.701 -1.474 1.00 54.23 C ATOM 1779 CH2 TRP A 125 -11.343 9.571 -2.225 1.00 41.03 C ATOM 0 H TRP A 125 -9.333 8.335 2.199 1.00 53.40 H new ATOM 0 HA TRP A 125 -7.996 10.392 3.848 1.00 43.53 H new ATOM 0 HB2 TRP A 125 -7.485 11.796 2.156 1.00 12.43 H new ATOM 0 HB3 TRP A 125 -7.240 10.281 1.309 1.00 12.43 H new ATOM 0 HD1 TRP A 125 -9.027 13.499 0.999 1.00 73.13 H new ATOM 0 HE1 TRP A 125 -10.729 13.495 -0.930 1.00 1.12 H new ATOM 0 HE3 TRP A 125 -9.126 8.489 0.101 1.00 72.45 H new ATOM 0 HZ2 TRP A 125 -11.933 11.589 -2.590 1.00 1.43 H new ATOM 0 HZ3 TRP A 125 -10.594 7.641 -1.677 1.00 54.23 H new ATOM 0 HH2 TRP A 125 -11.981 9.171 -3.000 1.00 41.03 H new ATOM 1790 N ARG A 126 -10.269 11.619 3.972 1.00 21.51 N ATOM 1791 CA ARG A 126 -11.611 12.076 4.180 1.00 52.41 C ATOM 1792 C ARG A 126 -11.879 13.331 3.400 1.00 21.41 C ATOM 1793 O ARG A 126 -10.980 14.143 3.161 1.00 60.12 O ATOM 1794 CB ARG A 126 -12.023 12.195 5.655 1.00 44.35 C ATOM 1795 CG ARG A 126 -11.183 13.099 6.511 1.00 42.21 C ATOM 1796 CD ARG A 126 -11.790 13.208 7.913 1.00 2.31 C ATOM 1797 NE ARG A 126 -10.861 13.744 8.907 1.00 32.44 N ATOM 1798 CZ ARG A 126 -11.176 14.548 9.931 1.00 54.20 C ATOM 1799 NH1 ARG A 126 -12.378 15.120 10.014 1.00 70.14 N ATOM 1800 NH2 ARG A 126 -10.253 14.816 10.840 1.00 10.21 N ATOM 0 H ARG A 126 -9.542 12.171 4.428 1.00 21.51 H new ATOM 0 HA ARG A 126 -12.258 11.291 3.789 1.00 52.41 H new ATOM 0 HB2 ARG A 126 -13.054 12.547 5.695 1.00 44.35 H new ATOM 0 HB3 ARG A 126 -12.010 11.198 6.095 1.00 44.35 H new ATOM 0 HG2 ARG A 126 -10.166 12.711 6.575 1.00 42.21 H new ATOM 0 HG3 ARG A 126 -11.119 14.087 6.056 1.00 42.21 H new ATOM 0 HD2 ARG A 126 -12.673 13.846 7.870 1.00 2.31 H new ATOM 0 HD3 ARG A 126 -12.125 12.222 8.234 1.00 2.31 H new ATOM 0 HE ARG A 126 -9.880 13.481 8.812 1.00 32.44 H new ATOM 0 HH11 ARG A 126 -13.076 14.948 9.290 1.00 70.14 H new ATOM 0 HH12 ARG A 126 -12.600 15.729 10.801 1.00 70.14 H new ATOM 0 HH21 ARG A 126 -9.320 14.413 10.754 1.00 10.21 H new ATOM 0 HH22 ARG A 126 -10.474 15.426 11.627 1.00 10.21 H new ATOM 1814 N ARG A 127 -13.100 13.493 3.034 1.00 75.14 N ATOM 1815 CA ARG A 127 -13.518 14.558 2.149 1.00 55.15 C ATOM 1816 C ARG A 127 -14.106 15.687 2.957 1.00 12.23 C ATOM 1817 O ARG A 127 -14.342 15.539 4.156 1.00 14.40 O ATOM 1818 CB ARG A 127 -14.606 14.070 1.214 1.00 12.53 C ATOM 1819 CG ARG A 127 -14.321 12.841 0.411 1.00 41.24 C ATOM 1820 CD ARG A 127 -15.496 12.585 -0.511 1.00 22.41 C ATOM 1821 NE ARG A 127 -15.488 11.259 -1.115 1.00 11.12 N ATOM 1822 CZ ARG A 127 -16.530 10.411 -1.061 1.00 22.24 C ATOM 1823 NH1 ARG A 127 -17.701 10.797 -0.539 1.00 51.11 N ATOM 1824 NH2 ARG A 127 -16.420 9.202 -1.581 1.00 13.31 N ATOM 0 H ARG A 127 -13.862 12.887 3.338 1.00 75.14 H new ATOM 0 HA ARG A 127 -12.646 14.888 1.584 1.00 55.15 H new ATOM 0 HB2 ARG A 127 -15.502 13.885 1.807 1.00 12.53 H new ATOM 0 HB3 ARG A 127 -14.843 14.878 0.522 1.00 12.53 H new ATOM 0 HG2 ARG A 127 -13.407 12.971 -0.168 1.00 41.24 H new ATOM 0 HG3 ARG A 127 -14.163 11.987 1.069 1.00 41.24 H new ATOM 0 HD2 ARG A 127 -16.422 12.713 0.050 1.00 22.41 H new ATOM 0 HD3 ARG A 127 -15.496 13.335 -1.302 1.00 22.41 H new ATOM 0 HE ARG A 127 -14.646 10.958 -1.606 1.00 11.12 H new ATOM 0 HH11 ARG A 127 -17.810 11.744 -0.176 1.00 51.11 H new ATOM 0 HH12 ARG A 127 -18.484 10.144 -0.504 1.00 51.11 H new ATOM 0 HH21 ARG A 127 -15.546 8.914 -2.022 1.00 13.31 H new ATOM 0 HH22 ARG A 127 -17.209 8.556 -1.542 1.00 13.31 H new ATOM 1838 N LYS A 128 -14.325 16.817 2.321 1.00 40.35 N ATOM 1839 CA LYS A 128 -15.015 17.917 2.968 1.00 63.44 C ATOM 1840 C LYS A 128 -16.540 17.699 2.929 1.00 4.15 C ATOM 1841 O LYS A 128 -17.299 18.413 3.592 1.00 43.50 O ATOM 1842 CB LYS A 128 -14.648 19.281 2.346 1.00 42.33 C ATOM 1843 CG LYS A 128 -15.150 19.521 0.924 1.00 14.02 C ATOM 1844 CD LYS A 128 -14.776 20.920 0.457 1.00 64.25 C ATOM 1845 CE LYS A 128 -15.380 21.252 -0.899 1.00 5.51 C ATOM 1846 NZ LYS A 128 -15.052 22.631 -1.326 1.00 41.01 N ATOM 0 H LYS A 128 -14.037 17.000 1.360 1.00 40.35 H new ATOM 0 HA LYS A 128 -14.687 17.936 4.007 1.00 63.44 H new ATOM 0 HB2 LYS A 128 -15.042 20.069 2.988 1.00 42.33 H new ATOM 0 HB3 LYS A 128 -13.563 19.380 2.349 1.00 42.33 H new ATOM 0 HG2 LYS A 128 -14.721 18.779 0.250 1.00 14.02 H new ATOM 0 HG3 LYS A 128 -16.232 19.396 0.888 1.00 14.02 H new ATOM 0 HD2 LYS A 128 -15.115 21.650 1.192 1.00 64.25 H new ATOM 0 HD3 LYS A 128 -13.691 21.005 0.400 1.00 64.25 H new ATOM 0 HE2 LYS A 128 -15.013 20.545 -1.643 1.00 5.51 H new ATOM 0 HE3 LYS A 128 -16.463 21.134 -0.853 1.00 5.51 H new ATOM 0 HZ1 LYS A 128 -15.482 22.818 -2.254 1.00 41.01 H new ATOM 0 HZ2 LYS A 128 -15.424 23.308 -0.629 1.00 41.01 H new ATOM 0 HZ3 LYS A 128 -14.020 22.737 -1.395 1.00 41.01 H new ATOM 1860 N ASP A 129 -16.983 16.697 2.151 1.00 72.52 N ATOM 1861 CA ASP A 129 -18.424 16.426 1.953 1.00 75.23 C ATOM 1862 C ASP A 129 -19.030 15.781 3.188 1.00 3.33 C ATOM 1863 O ASP A 129 -20.248 15.756 3.358 1.00 14.43 O ATOM 1864 CB ASP A 129 -18.687 15.537 0.702 1.00 11.13 C ATOM 1865 CG ASP A 129 -18.348 14.050 0.877 1.00 62.21 C ATOM 1866 OD1 ASP A 129 -17.524 13.709 1.722 1.00 30.31 O ATOM 1867 OD2 ASP A 129 -18.887 13.204 0.128 1.00 41.00 O ATOM 0 H ASP A 129 -16.367 16.059 1.647 1.00 72.52 H new ATOM 0 HA ASP A 129 -18.906 17.389 1.783 1.00 75.23 H new ATOM 0 HB2 ASP A 129 -19.738 15.624 0.428 1.00 11.13 H new ATOM 0 HB3 ASP A 129 -18.107 15.930 -0.133 1.00 11.13 H new ATOM 1872 N GLY A 130 -18.175 15.282 4.048 1.00 43.04 N ATOM 1873 CA GLY A 130 -18.625 14.684 5.265 1.00 10.11 C ATOM 1874 C GLY A 130 -18.381 13.199 5.289 1.00 61.41 C ATOM 1875 O GLY A 130 -18.520 12.556 6.335 1.00 23.41 O ATOM 0 H GLY A 130 -17.163 15.282 3.920 1.00 43.04 H new ATOM 0 HA2 GLY A 130 -18.113 15.149 6.108 1.00 10.11 H new ATOM 0 HA3 GLY A 130 -19.690 14.878 5.392 1.00 10.11 H new ATOM 1879 N SER A 131 -18.043 12.651 4.163 1.00 74.22 N ATOM 1880 CA SER A 131 -17.697 11.275 4.066 1.00 74.33 C ATOM 1881 C SER A 131 -16.177 11.120 3.907 1.00 43.41 C ATOM 1882 O SER A 131 -15.414 12.103 3.927 1.00 62.23 O ATOM 1883 CB SER A 131 -18.452 10.634 2.899 1.00 0.20 C ATOM 1884 OG SER A 131 -19.863 10.767 3.083 1.00 53.23 O ATOM 0 H SER A 131 -18.000 13.156 3.278 1.00 74.22 H new ATOM 0 HA SER A 131 -17.987 10.761 4.982 1.00 74.33 H new ATOM 0 HB2 SER A 131 -18.155 11.106 1.963 1.00 0.20 H new ATOM 0 HB3 SER A 131 -18.187 9.580 2.822 1.00 0.20 H new ATOM 0 HG SER A 131 -20.332 10.354 2.328 1.00 53.23 H new ATOM 1890 N CYS A 132 -15.756 9.917 3.756 1.00 43.21 N ATOM 1891 CA CYS A 132 -14.386 9.577 3.535 1.00 52.24 C ATOM 1892 C CYS A 132 -14.378 8.419 2.584 1.00 45.25 C ATOM 1893 O CYS A 132 -15.451 7.842 2.309 1.00 41.31 O ATOM 1894 CB CYS A 132 -13.707 9.186 4.839 1.00 44.15 C ATOM 1895 SG CYS A 132 -14.417 7.743 5.637 1.00 44.40 S ATOM 0 H CYS A 132 -16.375 9.107 3.783 1.00 43.21 H new ATOM 0 HA CYS A 132 -13.840 10.429 3.129 1.00 52.24 H new ATOM 0 HB2 CYS A 132 -12.652 8.996 4.643 1.00 44.15 H new ATOM 0 HB3 CYS A 132 -13.757 10.029 5.528 1.00 44.15 H new ATOM 0 HG CYS A 132 -15.713 7.846 5.647 1.00 44.40 H new ATOM 1901 N TRP A 133 -13.236 8.067 2.069 1.00 70.32 N ATOM 1902 CA TRP A 133 -13.177 6.994 1.140 1.00 72.25 C ATOM 1903 C TRP A 133 -11.768 6.461 1.090 1.00 20.43 C ATOM 1904 O TRP A 133 -10.818 7.156 1.494 1.00 24.04 O ATOM 1905 CB TRP A 133 -13.641 7.485 -0.235 1.00 21.32 C ATOM 1906 CG TRP A 133 -14.427 6.480 -1.010 1.00 31.21 C ATOM 1907 CD1 TRP A 133 -15.514 5.789 -0.566 1.00 71.12 C ATOM 1908 CD2 TRP A 133 -14.242 6.102 -2.375 1.00 4.23 C ATOM 1909 NE1 TRP A 133 -15.996 4.986 -1.555 1.00 4.44 N ATOM 1910 CE2 TRP A 133 -15.239 5.160 -2.681 1.00 40.43 C ATOM 1911 CE3 TRP A 133 -13.330 6.459 -3.366 1.00 24.42 C ATOM 1912 CZ2 TRP A 133 -15.351 4.575 -3.935 1.00 35.25 C ATOM 1913 CZ3 TRP A 133 -13.443 5.879 -4.611 1.00 21.31 C ATOM 1914 CH2 TRP A 133 -14.448 4.947 -4.885 1.00 41.25 C ATOM 0 H TRP A 133 -12.341 8.509 2.280 1.00 70.32 H new ATOM 0 HA TRP A 133 -13.838 6.185 1.450 1.00 72.25 H new ATOM 0 HB2 TRP A 133 -14.248 8.381 -0.103 1.00 21.32 H new ATOM 0 HB3 TRP A 133 -12.767 7.775 -0.819 1.00 21.32 H new ATOM 0 HD1 TRP A 133 -15.933 5.867 0.426 1.00 71.12 H new ATOM 0 HE1 TRP A 133 -16.794 4.356 -1.470 1.00 4.44 H new ATOM 0 HE3 TRP A 133 -12.549 7.177 -3.162 1.00 24.42 H new ATOM 0 HZ2 TRP A 133 -16.125 3.852 -4.149 1.00 35.25 H new ATOM 0 HZ3 TRP A 133 -12.743 6.149 -5.388 1.00 21.31 H new ATOM 0 HH2 TRP A 133 -14.510 4.512 -5.872 1.00 41.25 H new ATOM 1925 N LEU A 134 -11.630 5.227 0.696 1.00 65.23 N ATOM 1926 CA LEU A 134 -10.339 4.644 0.510 1.00 52.35 C ATOM 1927 C LEU A 134 -9.698 5.275 -0.696 1.00 32.41 C ATOM 1928 O LEU A 134 -10.265 5.272 -1.797 1.00 51.23 O ATOM 1929 CB LEU A 134 -10.387 3.110 0.352 1.00 43.44 C ATOM 1930 CG LEU A 134 -10.654 2.265 1.614 1.00 64.11 C ATOM 1931 CD1 LEU A 134 -12.051 2.478 2.171 1.00 33.10 C ATOM 1932 CD2 LEU A 134 -10.405 0.796 1.317 1.00 41.44 C ATOM 0 H LEU A 134 -12.410 4.601 0.496 1.00 65.23 H new ATOM 0 HA LEU A 134 -9.750 4.837 1.406 1.00 52.35 H new ATOM 0 HB2 LEU A 134 -11.159 2.873 -0.379 1.00 43.44 H new ATOM 0 HB3 LEU A 134 -9.436 2.787 -0.072 1.00 43.44 H new ATOM 0 HG LEU A 134 -9.959 2.597 2.386 1.00 64.11 H new ATOM 0 HD11 LEU A 134 -12.187 1.860 3.059 1.00 33.10 H new ATOM 0 HD12 LEU A 134 -12.181 3.527 2.436 1.00 33.10 H new ATOM 0 HD13 LEU A 134 -12.789 2.200 1.419 1.00 33.10 H new ATOM 0 HD21 LEU A 134 -10.596 0.206 2.214 1.00 41.44 H new ATOM 0 HD22 LEU A 134 -11.071 0.468 0.519 1.00 41.44 H new ATOM 0 HD23 LEU A 134 -9.370 0.658 1.006 1.00 41.44 H new ATOM 1944 N HIS A 135 -8.548 5.827 -0.479 1.00 32.24 N ATOM 1945 CA HIS A 135 -7.814 6.513 -1.495 1.00 73.31 C ATOM 1946 C HIS A 135 -7.264 5.482 -2.437 1.00 12.13 C ATOM 1947 O HIS A 135 -7.515 5.516 -3.653 1.00 72.00 O ATOM 1948 CB HIS A 135 -6.659 7.307 -0.845 1.00 55.34 C ATOM 1949 CG HIS A 135 -5.907 8.229 -1.761 1.00 34.10 C ATOM 1950 ND1 HIS A 135 -4.951 7.824 -2.685 1.00 53.35 N ATOM 1951 CD2 HIS A 135 -5.974 9.572 -1.866 1.00 55.44 C ATOM 1952 CE1 HIS A 135 -4.485 8.915 -3.295 1.00 0.42 C ATOM 1953 NE2 HIS A 135 -5.075 10.006 -2.831 1.00 2.13 N ATOM 0 H HIS A 135 -8.082 5.814 0.428 1.00 32.24 H new ATOM 0 HA HIS A 135 -8.455 7.211 -2.034 1.00 73.31 H new ATOM 0 HB2 HIS A 135 -7.065 7.894 -0.021 1.00 55.34 H new ATOM 0 HB3 HIS A 135 -5.953 6.598 -0.413 1.00 55.34 H new ATOM 0 HD2 HIS A 135 -6.626 10.211 -1.289 1.00 55.44 H new ATOM 0 HE1 HIS A 135 -3.727 8.909 -4.065 1.00 0.42 H new ATOM 0 HE2 HIS A 135 -4.904 10.968 -3.123 1.00 2.13 H new ATOM 1961 N SER A 136 -6.552 4.539 -1.879 1.00 54.53 N ATOM 1962 CA SER A 136 -5.892 3.501 -2.641 1.00 11.40 C ATOM 1963 C SER A 136 -5.440 2.480 -1.645 1.00 41.41 C ATOM 1964 O SER A 136 -5.469 2.754 -0.476 1.00 65.23 O ATOM 1965 CB SER A 136 -4.632 4.058 -3.363 1.00 21.52 C ATOM 1966 OG SER A 136 -4.884 5.273 -4.066 1.00 71.33 O ATOM 0 H SER A 136 -6.410 4.465 -0.872 1.00 54.53 H new ATOM 0 HA SER A 136 -6.569 3.095 -3.393 1.00 11.40 H new ATOM 0 HB2 SER A 136 -3.844 4.226 -2.629 1.00 21.52 H new ATOM 0 HB3 SER A 136 -4.261 3.310 -4.063 1.00 21.52 H new ATOM 0 HG SER A 136 -4.869 6.024 -3.437 1.00 71.33 H new ATOM 1972 N VAL A 137 -5.069 1.325 -2.071 1.00 31.12 N ATOM 1973 CA VAL A 137 -4.446 0.368 -1.186 1.00 4.33 C ATOM 1974 C VAL A 137 -3.381 -0.311 -2.013 1.00 61.02 C ATOM 1975 O VAL A 137 -3.565 -0.482 -3.202 1.00 32.45 O ATOM 1976 CB VAL A 137 -5.432 -0.693 -0.535 1.00 60.44 C ATOM 1977 CG1 VAL A 137 -6.653 -0.063 0.123 1.00 60.42 C ATOM 1978 CG2 VAL A 137 -5.854 -1.750 -1.494 1.00 54.23 C ATOM 0 H VAL A 137 -5.181 1.005 -3.033 1.00 31.12 H new ATOM 0 HA VAL A 137 -4.046 0.894 -0.319 1.00 4.33 H new ATOM 0 HB VAL A 137 -4.844 -1.163 0.253 1.00 60.44 H new ATOM 0 HG11 VAL A 137 -7.282 -0.846 0.547 1.00 60.42 H new ATOM 0 HG12 VAL A 137 -6.331 0.613 0.916 1.00 60.42 H new ATOM 0 HG13 VAL A 137 -7.220 0.495 -0.622 1.00 60.42 H new ATOM 0 HG21 VAL A 137 -6.527 -2.447 -0.994 1.00 54.23 H new ATOM 0 HG22 VAL A 137 -6.369 -1.291 -2.338 1.00 54.23 H new ATOM 0 HG23 VAL A 137 -4.976 -2.287 -1.853 1.00 54.23 H new ATOM 1988 N LYS A 138 -2.273 -0.613 -1.444 1.00 0.24 N ATOM 1989 CA LYS A 138 -1.198 -1.199 -2.200 1.00 2.13 C ATOM 1990 C LYS A 138 -0.709 -2.462 -1.530 1.00 1.13 C ATOM 1991 O LYS A 138 -0.441 -2.468 -0.342 1.00 31.41 O ATOM 1992 CB LYS A 138 -0.067 -0.173 -2.311 1.00 75.34 C ATOM 1993 CG LYS A 138 1.178 -0.620 -3.082 1.00 51.41 C ATOM 1994 CD LYS A 138 2.246 0.483 -3.091 1.00 21.44 C ATOM 1995 CE LYS A 138 2.658 0.851 -1.671 1.00 34.51 C ATOM 1996 NZ LYS A 138 3.618 1.967 -1.587 1.00 31.33 N ATOM 0 H LYS A 138 -2.074 -0.469 -0.454 1.00 0.24 H new ATOM 0 HA LYS A 138 -1.549 -1.468 -3.197 1.00 2.13 H new ATOM 0 HB2 LYS A 138 -0.463 0.723 -2.789 1.00 75.34 H new ATOM 0 HB3 LYS A 138 0.238 0.112 -1.304 1.00 75.34 H new ATOM 0 HG2 LYS A 138 1.587 -1.523 -2.628 1.00 51.41 H new ATOM 0 HG3 LYS A 138 0.904 -0.874 -4.106 1.00 51.41 H new ATOM 0 HD2 LYS A 138 3.118 0.146 -3.651 1.00 21.44 H new ATOM 0 HD3 LYS A 138 1.860 1.365 -3.602 1.00 21.44 H new ATOM 0 HE2 LYS A 138 1.765 1.112 -1.102 1.00 34.51 H new ATOM 0 HE3 LYS A 138 3.095 -0.026 -1.193 1.00 34.51 H new ATOM 0 HZ1 LYS A 138 3.544 2.419 -0.654 1.00 31.33 H new ATOM 0 HZ2 LYS A 138 4.584 1.605 -1.720 1.00 31.33 H new ATOM 0 HZ3 LYS A 138 3.405 2.665 -2.328 1.00 31.33 H new ATOM 2010 N PHE A 139 -0.597 -3.508 -2.293 1.00 14.43 N ATOM 2011 CA PHE A 139 -0.110 -4.756 -1.817 1.00 62.33 C ATOM 2012 C PHE A 139 1.168 -5.045 -2.518 1.00 33.54 C ATOM 2013 O PHE A 139 1.240 -4.955 -3.741 1.00 5.52 O ATOM 2014 CB PHE A 139 -1.114 -5.868 -2.110 1.00 51.21 C ATOM 2015 CG PHE A 139 -2.445 -5.602 -1.508 1.00 33.24 C ATOM 2016 CD1 PHE A 139 -2.599 -5.654 -0.156 1.00 1.04 C ATOM 2017 CD2 PHE A 139 -3.529 -5.275 -2.288 1.00 43.15 C ATOM 2018 CE1 PHE A 139 -3.804 -5.391 0.435 1.00 74.20 C ATOM 2019 CE2 PHE A 139 -4.745 -5.014 -1.706 1.00 33.11 C ATOM 2020 CZ PHE A 139 -4.883 -5.071 -0.338 1.00 2.12 C ATOM 0 H PHE A 139 -0.848 -3.512 -3.282 1.00 14.43 H new ATOM 0 HA PHE A 139 0.041 -4.707 -0.739 1.00 62.33 H new ATOM 0 HB2 PHE A 139 -1.222 -5.981 -3.189 1.00 51.21 H new ATOM 0 HB3 PHE A 139 -0.728 -6.813 -1.728 1.00 51.21 H new ATOM 0 HD1 PHE A 139 -1.751 -5.908 0.463 1.00 1.04 H new ATOM 0 HD2 PHE A 139 -3.424 -5.223 -3.362 1.00 43.15 H new ATOM 0 HE1 PHE A 139 -3.902 -5.436 1.510 1.00 74.20 H new ATOM 0 HE2 PHE A 139 -5.595 -4.763 -2.323 1.00 33.11 H new ATOM 0 HZ PHE A 139 -5.838 -4.864 0.121 1.00 2.12 H new ATOM 2030 N ILE A 140 2.167 -5.353 -1.786 1.00 53.32 N ATOM 2031 CA ILE A 140 3.435 -5.662 -2.353 1.00 72.41 C ATOM 2032 C ILE A 140 3.891 -6.964 -1.785 1.00 23.53 C ATOM 2033 O ILE A 140 4.378 -7.049 -0.654 1.00 1.04 O ATOM 2034 CB ILE A 140 4.483 -4.515 -2.168 1.00 60.11 C ATOM 2035 CG1 ILE A 140 4.459 -3.966 -0.727 1.00 70.24 C ATOM 2036 CG2 ILE A 140 4.259 -3.405 -3.195 1.00 2.21 C ATOM 2037 CD1 ILE A 140 5.396 -2.800 -0.476 1.00 60.20 C ATOM 0 H ILE A 140 2.136 -5.400 -0.768 1.00 53.32 H new ATOM 0 HA ILE A 140 3.333 -5.755 -3.434 1.00 72.41 H new ATOM 0 HB ILE A 140 5.476 -4.931 -2.340 1.00 60.11 H new ATOM 0 HG12 ILE A 140 3.442 -3.655 -0.488 1.00 70.24 H new ATOM 0 HG13 ILE A 140 4.714 -4.774 -0.041 1.00 70.24 H new ATOM 0 HG21 ILE A 140 4.999 -2.618 -3.048 1.00 2.21 H new ATOM 0 HG22 ILE A 140 4.359 -3.814 -4.200 1.00 2.21 H new ATOM 0 HG23 ILE A 140 3.259 -2.990 -3.070 1.00 2.21 H new ATOM 0 HD11 ILE A 140 5.311 -2.482 0.563 1.00 60.20 H new ATOM 0 HD12 ILE A 140 6.422 -3.108 -0.678 1.00 60.20 H new ATOM 0 HD13 ILE A 140 5.130 -1.971 -1.132 1.00 60.20 H new ATOM 2049 N MET A 141 3.671 -7.991 -2.544 1.00 51.03 N ATOM 2050 CA MET A 141 3.951 -9.313 -2.092 1.00 62.45 C ATOM 2051 C MET A 141 5.362 -9.701 -2.365 1.00 42.44 C ATOM 2052 O MET A 141 5.859 -9.553 -3.492 1.00 25.50 O ATOM 2053 CB MET A 141 2.969 -10.332 -2.659 1.00 30.35 C ATOM 2054 CG MET A 141 1.559 -10.204 -2.101 1.00 42.01 C ATOM 2055 SD MET A 141 0.413 -11.439 -2.769 1.00 50.42 S ATOM 2056 CE MET A 141 0.347 -10.957 -4.499 1.00 64.44 C ATOM 0 H MET A 141 3.294 -7.935 -3.490 1.00 51.03 H new ATOM 0 HA MET A 141 3.818 -9.311 -1.010 1.00 62.45 H new ATOM 0 HB2 MET A 141 2.932 -10.223 -3.743 1.00 30.35 H new ATOM 0 HB3 MET A 141 3.342 -11.335 -2.453 1.00 30.35 H new ATOM 0 HG2 MET A 141 1.594 -10.300 -1.016 1.00 42.01 H new ATOM 0 HG3 MET A 141 1.177 -9.207 -2.321 1.00 42.01 H new ATOM 0 HE1 MET A 141 -0.504 -11.441 -4.979 1.00 64.44 H new ATOM 0 HE2 MET A 141 0.238 -9.875 -4.571 1.00 64.44 H new ATOM 0 HE3 MET A 141 1.267 -11.263 -4.997 1.00 64.44 H new ATOM 2066 N SER A 142 6.002 -10.167 -1.311 1.00 22.34 N ATOM 2067 CA SER A 142 7.354 -10.635 -1.323 1.00 24.14 C ATOM 2068 C SER A 142 8.320 -9.528 -1.723 1.00 63.14 C ATOM 2069 O SER A 142 9.131 -9.664 -2.640 1.00 64.24 O ATOM 2070 CB SER A 142 7.463 -11.863 -2.206 1.00 64.14 C ATOM 2071 OG SER A 142 6.546 -12.864 -1.750 1.00 35.04 O ATOM 0 H SER A 142 5.567 -10.228 -0.390 1.00 22.34 H new ATOM 0 HA SER A 142 7.642 -10.930 -0.314 1.00 24.14 H new ATOM 0 HB2 SER A 142 7.245 -11.600 -3.241 1.00 64.14 H new ATOM 0 HB3 SER A 142 8.481 -12.251 -2.183 1.00 64.14 H new ATOM 0 HG SER A 142 6.616 -13.657 -2.322 1.00 35.04 H new ATOM 2077 N LYS A 143 8.241 -8.457 -1.001 1.00 1.50 N ATOM 2078 CA LYS A 143 9.067 -7.332 -1.216 1.00 30.20 C ATOM 2079 C LYS A 143 10.283 -7.526 -0.334 1.00 12.21 C ATOM 2080 O LYS A 143 10.175 -8.113 0.754 1.00 34.35 O ATOM 2081 CB LYS A 143 8.324 -6.053 -0.822 1.00 3.32 C ATOM 2082 CG LYS A 143 8.813 -4.808 -1.539 1.00 63.25 C ATOM 2083 CD LYS A 143 8.494 -4.910 -3.023 1.00 62.23 C ATOM 2084 CE LYS A 143 8.883 -3.672 -3.788 1.00 32.52 C ATOM 2085 NZ LYS A 143 8.492 -3.782 -5.209 1.00 2.01 N ATOM 0 H LYS A 143 7.583 -8.346 -0.230 1.00 1.50 H new ATOM 0 HA LYS A 143 9.350 -7.238 -2.264 1.00 30.20 H new ATOM 0 HB2 LYS A 143 7.262 -6.184 -1.028 1.00 3.32 H new ATOM 0 HB3 LYS A 143 8.424 -5.903 0.253 1.00 3.32 H new ATOM 0 HG2 LYS A 143 8.338 -3.923 -1.115 1.00 63.25 H new ATOM 0 HG3 LYS A 143 9.887 -4.693 -1.396 1.00 63.25 H new ATOM 0 HD2 LYS A 143 9.014 -5.771 -3.444 1.00 62.23 H new ATOM 0 HD3 LYS A 143 7.426 -5.090 -3.149 1.00 62.23 H new ATOM 0 HE2 LYS A 143 8.405 -2.800 -3.342 1.00 32.52 H new ATOM 0 HE3 LYS A 143 9.960 -3.518 -3.714 1.00 32.52 H new ATOM 0 HZ1 LYS A 143 8.771 -2.917 -5.714 1.00 2.01 H new ATOM 0 HZ2 LYS A 143 8.968 -4.602 -5.638 1.00 2.01 H new ATOM 0 HZ3 LYS A 143 7.462 -3.905 -5.277 1.00 2.01 H new ATOM 2099 N ALA A 144 11.415 -7.098 -0.783 1.00 10.05 N ATOM 2100 CA ALA A 144 12.613 -7.284 -0.029 1.00 34.43 C ATOM 2101 C ALA A 144 13.437 -6.058 -0.081 1.00 52.43 C ATOM 2102 O ALA A 144 13.433 -5.342 -1.081 1.00 53.02 O ATOM 2103 CB ALA A 144 13.421 -8.442 -0.582 1.00 11.43 C ATOM 0 H ALA A 144 11.538 -6.614 -1.673 1.00 10.05 H new ATOM 0 HA ALA A 144 12.334 -7.502 1.002 1.00 34.43 H new ATOM 0 HB1 ALA A 144 14.330 -8.566 0.007 1.00 11.43 H new ATOM 0 HB2 ALA A 144 12.829 -9.356 -0.532 1.00 11.43 H new ATOM 0 HB3 ALA A 144 13.686 -8.238 -1.619 1.00 11.43 H new ATOM 2109 N ALA A 145 14.106 -5.799 0.985 1.00 54.34 N ATOM 2110 CA ALA A 145 15.060 -4.756 1.030 1.00 42.25 C ATOM 2111 C ALA A 145 16.382 -5.414 0.781 1.00 24.21 C ATOM 2112 O ALA A 145 16.633 -6.492 1.337 1.00 64.44 O ATOM 2113 CB ALA A 145 15.064 -4.072 2.391 1.00 44.14 C ATOM 0 H ALA A 145 14.003 -6.313 1.860 1.00 54.34 H new ATOM 0 HA ALA A 145 14.837 -3.985 0.293 1.00 42.25 H new ATOM 0 HB1 ALA A 145 15.807 -3.275 2.395 1.00 44.14 H new ATOM 0 HB2 ALA A 145 14.079 -3.650 2.589 1.00 44.14 H new ATOM 0 HB3 ALA A 145 15.309 -4.801 3.164 1.00 44.14 H new ATOM 2119 N PRO A 146 17.218 -4.844 -0.088 1.00 63.54 N ATOM 2120 CA PRO A 146 18.541 -5.393 -0.363 1.00 55.14 C ATOM 2121 C PRO A 146 19.364 -5.478 0.922 1.00 71.22 C ATOM 2122 O PRO A 146 19.121 -4.703 1.878 1.00 22.21 O ATOM 2123 CB PRO A 146 19.163 -4.376 -1.331 1.00 40.13 C ATOM 2124 CG PRO A 146 18.320 -3.152 -1.226 1.00 55.01 C ATOM 2125 CD PRO A 146 16.948 -3.629 -0.876 1.00 50.34 C ATOM 0 HA PRO A 146 18.504 -6.402 -0.773 1.00 55.14 H new ATOM 0 HB2 PRO A 146 20.198 -4.163 -1.063 1.00 40.13 H new ATOM 0 HB3 PRO A 146 19.170 -4.760 -2.351 1.00 40.13 H new ATOM 0 HG2 PRO A 146 18.705 -2.477 -0.462 1.00 55.01 H new ATOM 0 HG3 PRO A 146 18.314 -2.600 -2.166 1.00 55.01 H new ATOM 0 HD2 PRO A 146 16.396 -2.887 -0.299 1.00 50.34 H new ATOM 0 HD3 PRO A 146 16.356 -3.846 -1.765 1.00 50.34 H new ATOM 2133 N TYR A 147 20.306 -6.407 0.978 1.00 52.25 N ATOM 2134 CA TYR A 147 21.116 -6.577 2.151 1.00 31.52 C ATOM 2135 C TYR A 147 21.913 -5.302 2.411 1.00 43.32 C ATOM 2136 O TYR A 147 22.308 -4.602 1.468 1.00 64.43 O ATOM 2137 CB TYR A 147 22.047 -7.799 2.010 1.00 35.44 C ATOM 2138 CG TYR A 147 23.151 -7.674 0.971 1.00 64.22 C ATOM 2139 CD1 TYR A 147 22.989 -8.166 -0.316 1.00 2.12 C ATOM 2140 CD2 TYR A 147 24.363 -7.066 1.292 1.00 74.02 C ATOM 2141 CE1 TYR A 147 23.999 -8.056 -1.253 1.00 31.14 C ATOM 2142 CE2 TYR A 147 25.372 -6.951 0.361 1.00 63.21 C ATOM 2143 CZ TYR A 147 25.186 -7.449 -0.911 1.00 14.54 C ATOM 2144 OH TYR A 147 26.195 -7.333 -1.849 1.00 14.35 O ATOM 0 H TYR A 147 20.521 -7.051 0.217 1.00 52.25 H new ATOM 0 HA TYR A 147 20.466 -6.764 3.006 1.00 31.52 H new ATOM 0 HB2 TYR A 147 22.506 -7.996 2.979 1.00 35.44 H new ATOM 0 HB3 TYR A 147 21.439 -8.669 1.763 1.00 35.44 H new ATOM 0 HD1 TYR A 147 22.059 -8.642 -0.590 1.00 2.12 H new ATOM 0 HD2 TYR A 147 24.514 -6.678 2.288 1.00 74.02 H new ATOM 0 HE1 TYR A 147 23.857 -8.445 -2.250 1.00 31.14 H new ATOM 0 HE2 TYR A 147 26.304 -6.473 0.626 1.00 63.21 H new ATOM 0 HH TYR A 147 26.965 -6.879 -1.447 1.00 14.35 H new ATOM 2154 N VAL A 148 22.104 -4.975 3.647 1.00 61.33 N ATOM 2155 CA VAL A 148 22.824 -3.781 3.977 1.00 62.10 C ATOM 2156 C VAL A 148 24.313 -4.093 4.142 1.00 10.20 C ATOM 2157 O VAL A 148 24.691 -5.143 4.707 1.00 14.54 O ATOM 2158 CB VAL A 148 22.232 -3.072 5.244 1.00 52.15 C ATOM 2159 CG1 VAL A 148 22.311 -3.950 6.477 1.00 22.21 C ATOM 2160 CG2 VAL A 148 22.890 -1.727 5.493 1.00 45.43 C ATOM 0 H VAL A 148 21.773 -5.515 4.447 1.00 61.33 H new ATOM 0 HA VAL A 148 22.712 -3.077 3.152 1.00 62.10 H new ATOM 0 HB VAL A 148 21.177 -2.894 5.037 1.00 52.15 H new ATOM 0 HG11 VAL A 148 21.890 -3.418 7.330 1.00 22.21 H new ATOM 0 HG12 VAL A 148 21.748 -4.867 6.307 1.00 22.21 H new ATOM 0 HG13 VAL A 148 23.353 -4.197 6.682 1.00 22.21 H new ATOM 0 HG21 VAL A 148 22.453 -1.267 6.379 1.00 45.43 H new ATOM 0 HG22 VAL A 148 23.960 -1.868 5.647 1.00 45.43 H new ATOM 0 HG23 VAL A 148 22.730 -1.079 4.631 1.00 45.43 H new ATOM 2170 N ALA A 149 25.133 -3.247 3.589 1.00 65.22 N ATOM 2171 CA ALA A 149 26.554 -3.364 3.699 1.00 64.22 C ATOM 2172 C ALA A 149 27.072 -2.142 4.427 1.00 23.41 C ATOM 2173 O ALA A 149 27.221 -1.083 3.797 1.00 22.13 O ATOM 2174 CB ALA A 149 27.193 -3.506 2.322 1.00 73.33 C ATOM 0 H ALA A 149 24.826 -2.444 3.040 1.00 65.22 H new ATOM 0 HA ALA A 149 26.816 -4.260 4.261 1.00 64.22 H new ATOM 0 HB1 ALA A 149 28.274 -3.593 2.430 1.00 73.33 H new ATOM 0 HB2 ALA A 149 26.804 -4.398 1.831 1.00 73.33 H new ATOM 0 HB3 ALA A 149 26.958 -2.628 1.720 1.00 73.33 H new TER 2180 ALA A 149