USER MOD reduce.3.24.130724 H: found=0, std=0, add=904, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 906 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 123 TYR OH : rot -129:sc= 0.469 USER MOD Set 1.2: A 127 ASN : amide:sc= 0.0432 K(o=0.51,f=0.0059) USER MOD Set 2.1: A 75 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 79 MET CE :methyl 176:sc= -1.46 (180deg=-1.61) USER MOD Set 3.1: A 71 SER OG : rot -163:sc= 2.32 USER MOD Set 3.2: A 74 ASN : amide:sc= -6.14! C(o=-3.8!,f=-8.1!) USER MOD Set 4.1: A 12 GLN : amide:sc= 0.485 K(o=1.1,f=-2.6!) USER MOD Set 4.2: A 16 GLN : amide:sc= 0.652 K(o=1.1,f=-0.64) USER MOD Single : A 7 THR OG1 : rot -95:sc= 1.27 USER MOD Single : A 10 GLN : amide:sc= -0.359 K(o=-0.36,f=-3.4!) USER MOD Single : A 11 MET CE :methyl -142:sc= 0 (180deg=-0.108) USER MOD Single : A 15 LYS NZ :NH3+ -137:sc= -0.476! (180deg=-2.3!) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= 0.28! X(o=0.28!,f=-0.11) USER MOD Single : A 25 HIS : no HE2:sc= 0.88 K(o=0.88,f=-2.7!) USER MOD Single : A 31 LYS NZ :NH3+ -162:sc= 0.183 (180deg=-0.412!) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 CYS SG : rot 4:sc= -3.75! USER MOD Single : A 39 SER OG : rot -93:sc= 0.932 USER MOD Single : A 40 SER OG : rot 83:sc= 0.986 USER MOD Single : A 41 MET CE :methyl -162:sc= -0.123 (180deg=-0.507) USER MOD Single : A 49 THR OG1 : rot 30:sc= 1.13 USER MOD Single : A 55 GLN : amide:sc= -1.06! K(o=-1.1!,f=-1.9) USER MOD Single : A 56 TYR OH : rot 29:sc= -0.864 USER MOD Single : A 60 TYR OH : rot -111:sc= 0.206! USER MOD Single : A 61 ASN : amide:sc= -0.266! X(o=-0.27!,f=-0.16) USER MOD Single : A 62 ASN : amide:sc= -0.347 X(o=-0.35,f=0) USER MOD Single : A 64 THR OG1 : rot -157:sc= 1.35 USER MOD Single : A 65 LYS NZ :NH3+ -160:sc= 2.31 (180deg=1.81) USER MOD Single : A 68 ASN : amide:sc= 0.281 X(o=0.28,f=0) USER MOD Single : A 77 GLN : amide:sc= -0.823! C(o=-0.82!,f=-6.6!) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ -135:sc= 1.19 (180deg=-1.67!) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 ASN :FLIP amide:sc= 0 F(o=-0.75,f=0) USER MOD Single : A 93 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 LYS NZ :NH3+ -168:sc= 2.39 (180deg=2.19) USER MOD Single : A 105 SER OG : rot 180:sc= 0.161 USER MOD Single : A 107 THR OG1 : rot -71:sc= 0.882 USER MOD Single : A 109 THR OG1 : rot 180:sc= -0.0478 USER MOD Single : A 111 MET CE :methyl -164:sc= -0.448 (180deg=-0.844) USER MOD Single : A 112 GLN : amide:sc=-0.00441 K(o=-0.0044,f=-1.8!) USER MOD Single : A 113 LYS NZ :NH3+ -112:sc= 1.18 (180deg=-0.146) USER MOD Single : A 116 MET CE :methyl 135:sc= -0.24 (180deg=-1.6) USER MOD Single : A 117 SER OG : rot 180:sc= 0.0153 USER MOD Single : A 120 GLN : amide:sc= 0.124 X(o=0.12,f=0) USER MOD Single : A 125 LYS NZ :NH3+ 162:sc= 2.07 (180deg=1.17!) USER MOD Single : A 130 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 135 TYR OH : rot 180:sc= 0 USER MOD Single : A 137 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 40 N GLY A 5 -8.449 15.440 4.990 1.00 14.30 N ATOM 41 CA GLY A 5 -8.631 14.025 4.787 1.00 22.15 C ATOM 42 C GLY A 5 -8.622 13.631 3.324 1.00 74.40 C ATOM 43 O GLY A 5 -7.687 12.979 2.854 1.00 41.01 O ATOM 0 HA2 GLY A 5 -7.841 13.484 5.308 1.00 22.15 H new ATOM 0 HA3 GLY A 5 -9.576 13.718 5.235 1.00 22.15 H new ATOM 47 N VAL A 6 -9.651 14.029 2.616 1.00 21.34 N ATOM 48 CA VAL A 6 -9.817 13.669 1.221 1.00 62.55 C ATOM 49 C VAL A 6 -9.624 14.913 0.367 1.00 41.24 C ATOM 50 O VAL A 6 -9.664 16.030 0.871 1.00 42.35 O ATOM 51 CB VAL A 6 -11.245 13.106 0.948 1.00 75.31 C ATOM 52 CG1 VAL A 6 -11.328 12.342 -0.373 1.00 1.43 C ATOM 53 CG2 VAL A 6 -11.767 12.280 2.116 1.00 41.14 C ATOM 0 H VAL A 6 -10.400 14.613 2.988 1.00 21.34 H new ATOM 0 HA VAL A 6 -9.083 12.902 0.976 1.00 62.55 H new ATOM 0 HB VAL A 6 -11.903 13.970 0.849 1.00 75.31 H new ATOM 0 HG11 VAL A 6 -12.343 11.971 -0.515 1.00 1.43 H new ATOM 0 HG12 VAL A 6 -11.066 13.008 -1.195 1.00 1.43 H new ATOM 0 HG13 VAL A 6 -10.634 11.502 -0.352 1.00 1.43 H new ATOM 0 HG21 VAL A 6 -12.764 11.908 1.882 1.00 41.14 H new ATOM 0 HG22 VAL A 6 -11.098 11.438 2.294 1.00 41.14 H new ATOM 0 HG23 VAL A 6 -11.812 12.902 3.010 1.00 41.14 H new ATOM 63 N THR A 7 -9.423 14.728 -0.896 1.00 72.35 N ATOM 64 CA THR A 7 -9.282 15.813 -1.801 1.00 2.23 C ATOM 65 C THR A 7 -10.548 15.850 -2.725 1.00 1.32 C ATOM 66 O THR A 7 -11.195 14.784 -2.987 1.00 71.25 O ATOM 67 CB THR A 7 -7.938 15.653 -2.589 1.00 44.51 C ATOM 68 OG1 THR A 7 -7.571 16.852 -3.291 1.00 63.52 O ATOM 69 CG2 THR A 7 -7.993 14.474 -3.533 1.00 52.11 C ATOM 0 H THR A 7 -9.352 13.808 -1.330 1.00 72.35 H new ATOM 0 HA THR A 7 -9.227 16.771 -1.284 1.00 2.23 H new ATOM 0 HB THR A 7 -7.162 15.463 -1.848 1.00 44.51 H new ATOM 0 HG1 THR A 7 -7.882 16.796 -4.219 1.00 63.52 H new ATOM 0 HG21 THR A 7 -7.046 14.390 -4.065 1.00 52.11 H new ATOM 0 HG22 THR A 7 -8.173 13.561 -2.965 1.00 52.11 H new ATOM 0 HG23 THR A 7 -8.800 14.620 -4.251 1.00 52.11 H new ATOM 77 N ALA A 8 -10.915 17.044 -3.192 1.00 62.44 N ATOM 78 CA ALA A 8 -12.126 17.229 -4.012 1.00 34.23 C ATOM 79 C ALA A 8 -12.044 16.444 -5.312 1.00 63.01 C ATOM 80 O ALA A 8 -13.053 16.005 -5.847 1.00 40.03 O ATOM 81 CB ALA A 8 -12.372 18.703 -4.291 1.00 53.14 C ATOM 0 H ALA A 8 -10.393 17.903 -3.019 1.00 62.44 H new ATOM 0 HA ALA A 8 -12.970 16.841 -3.442 1.00 34.23 H new ATOM 0 HB1 ALA A 8 -13.271 18.813 -4.898 1.00 53.14 H new ATOM 0 HB2 ALA A 8 -12.503 19.235 -3.349 1.00 53.14 H new ATOM 0 HB3 ALA A 8 -11.519 19.119 -4.827 1.00 53.14 H new ATOM 87 N GLU A 9 -10.833 16.282 -5.794 1.00 33.24 N ATOM 88 CA GLU A 9 -10.536 15.501 -6.979 1.00 23.43 C ATOM 89 C GLU A 9 -10.984 14.063 -6.766 1.00 60.52 C ATOM 90 O GLU A 9 -11.671 13.483 -7.610 1.00 53.04 O ATOM 91 CB GLU A 9 -9.019 15.535 -7.288 1.00 60.21 C ATOM 92 CG GLU A 9 -8.439 16.902 -7.708 1.00 51.22 C ATOM 93 CD GLU A 9 -8.668 18.015 -6.704 1.00 21.12 C ATOM 94 OE1 GLU A 9 -8.611 17.766 -5.473 1.00 44.12 O ATOM 95 OE2 GLU A 9 -8.930 19.151 -7.108 1.00 0.11 O ATOM 0 H GLU A 9 -10.006 16.698 -5.365 1.00 33.24 H new ATOM 0 HA GLU A 9 -11.072 15.931 -7.825 1.00 23.43 H new ATOM 0 HB2 GLU A 9 -8.482 15.192 -6.404 1.00 60.21 H new ATOM 0 HB3 GLU A 9 -8.815 14.818 -8.083 1.00 60.21 H new ATOM 0 HG2 GLU A 9 -7.367 16.793 -7.873 1.00 51.22 H new ATOM 0 HG3 GLU A 9 -8.880 17.193 -8.661 1.00 51.22 H new ATOM 102 N GLN A 10 -10.686 13.522 -5.578 1.00 0.50 N ATOM 103 CA GLN A 10 -11.026 12.151 -5.289 1.00 31.25 C ATOM 104 C GLN A 10 -12.477 12.031 -5.219 1.00 53.13 C ATOM 105 O GLN A 10 -13.039 11.077 -5.717 1.00 44.44 O ATOM 106 CB GLN A 10 -10.475 11.639 -3.995 1.00 42.10 C ATOM 107 CG GLN A 10 -10.431 10.149 -4.014 1.00 22.53 C ATOM 108 CD GLN A 10 -9.535 9.566 -2.947 1.00 23.34 C ATOM 109 OE1 GLN A 10 -9.382 10.125 -1.869 1.00 12.24 O ATOM 110 NE2 GLN A 10 -8.897 8.469 -3.250 1.00 54.32 N ATOM 0 H GLN A 10 -10.216 14.017 -4.820 1.00 0.50 H new ATOM 0 HA GLN A 10 -10.585 11.558 -6.091 1.00 31.25 H new ATOM 0 HB2 GLN A 10 -9.474 12.039 -3.833 1.00 42.10 H new ATOM 0 HB3 GLN A 10 -11.093 11.982 -3.166 1.00 42.10 H new ATOM 0 HG2 GLN A 10 -11.441 9.761 -3.883 1.00 22.53 H new ATOM 0 HG3 GLN A 10 -10.085 9.815 -4.992 1.00 22.53 H new ATOM 0 HE21 GLN A 10 -9.046 8.026 -4.157 1.00 54.32 H new ATOM 0 HE22 GLN A 10 -8.249 8.054 -2.580 1.00 54.32 H new ATOM 119 N MET A 11 -13.099 13.037 -4.625 1.00 75.21 N ATOM 120 CA MET A 11 -14.559 13.090 -4.535 1.00 5.11 C ATOM 121 C MET A 11 -15.222 12.974 -5.926 1.00 55.41 C ATOM 122 O MET A 11 -16.404 12.713 -6.026 1.00 54.03 O ATOM 123 CB MET A 11 -15.052 14.330 -3.781 1.00 21.12 C ATOM 124 CG MET A 11 -14.745 14.337 -2.292 1.00 31.44 C ATOM 125 SD MET A 11 -15.569 12.994 -1.413 1.00 32.24 S ATOM 126 CE MET A 11 -15.081 13.331 0.274 1.00 40.11 C ATOM 0 H MET A 11 -12.621 13.830 -4.197 1.00 75.21 H new ATOM 0 HA MET A 11 -14.866 12.222 -3.951 1.00 5.11 H new ATOM 0 HB2 MET A 11 -14.604 15.215 -4.234 1.00 21.12 H new ATOM 0 HB3 MET A 11 -16.130 14.414 -3.915 1.00 21.12 H new ATOM 0 HG2 MET A 11 -13.668 14.256 -2.146 1.00 31.44 H new ATOM 0 HG3 MET A 11 -15.054 15.291 -1.865 1.00 31.44 H new ATOM 0 HE1 MET A 11 -14.890 12.391 0.792 1.00 40.11 H new ATOM 0 HE2 MET A 11 -14.175 13.937 0.277 1.00 40.11 H new ATOM 0 HE3 MET A 11 -15.880 13.870 0.783 1.00 40.11 H new ATOM 136 N GLN A 12 -14.453 13.228 -6.977 1.00 22.15 N ATOM 137 CA GLN A 12 -14.891 13.014 -8.330 1.00 75.03 C ATOM 138 C GLN A 12 -14.459 11.628 -8.848 1.00 51.43 C ATOM 139 O GLN A 12 -15.270 10.911 -9.420 1.00 32.31 O ATOM 140 CB GLN A 12 -14.356 14.107 -9.260 1.00 54.41 C ATOM 141 CG GLN A 12 -15.396 15.119 -9.729 1.00 62.54 C ATOM 142 CD GLN A 12 -16.421 14.532 -10.707 1.00 41.32 C ATOM 143 OE1 GLN A 12 -16.771 13.357 -10.663 1.00 15.32 O ATOM 144 NE2 GLN A 12 -16.889 15.350 -11.613 1.00 1.23 N ATOM 0 H GLN A 12 -13.503 13.591 -6.903 1.00 22.15 H new ATOM 0 HA GLN A 12 -15.980 13.057 -8.327 1.00 75.03 H new ATOM 0 HB2 GLN A 12 -13.557 14.641 -8.746 1.00 54.41 H new ATOM 0 HB3 GLN A 12 -13.911 13.633 -10.135 1.00 54.41 H new ATOM 0 HG2 GLN A 12 -15.921 15.518 -8.861 1.00 62.54 H new ATOM 0 HG3 GLN A 12 -14.887 15.956 -10.207 1.00 62.54 H new ATOM 0 HE21 GLN A 12 -16.583 16.323 -11.629 1.00 1.23 H new ATOM 0 HE22 GLN A 12 -17.561 15.015 -12.304 1.00 1.23 H new ATOM 153 N GLU A 13 -13.207 11.215 -8.578 1.00 11.01 N ATOM 154 CA GLU A 13 -12.664 9.981 -9.181 1.00 14.23 C ATOM 155 C GLU A 13 -13.325 8.776 -8.537 1.00 41.42 C ATOM 156 O GLU A 13 -14.023 7.951 -9.182 1.00 74.12 O ATOM 157 CB GLU A 13 -11.171 9.903 -8.885 1.00 73.31 C ATOM 158 CG GLU A 13 -10.379 11.125 -9.286 1.00 64.32 C ATOM 159 CD GLU A 13 -8.992 11.089 -8.703 1.00 1.22 C ATOM 160 OE1 GLU A 13 -8.876 11.212 -7.457 1.00 53.21 O ATOM 161 OE2 GLU A 13 -8.026 10.941 -9.465 1.00 74.05 O ATOM 0 H GLU A 13 -12.562 11.706 -7.959 1.00 11.01 H new ATOM 0 HA GLU A 13 -12.849 9.991 -10.255 1.00 14.23 H new ATOM 0 HB2 GLU A 13 -11.035 9.734 -7.817 1.00 73.31 H new ATOM 0 HB3 GLU A 13 -10.758 9.035 -9.400 1.00 73.31 H new ATOM 0 HG2 GLU A 13 -10.318 11.182 -10.373 1.00 64.32 H new ATOM 0 HG3 GLU A 13 -10.895 12.023 -8.948 1.00 64.32 H new ATOM 168 N PHE A 14 -13.209 8.784 -7.245 1.00 4.22 N ATOM 169 CA PHE A 14 -13.617 7.740 -6.368 1.00 12.30 C ATOM 170 C PHE A 14 -15.107 7.616 -6.420 1.00 32.55 C ATOM 171 O PHE A 14 -15.659 6.517 -6.287 1.00 11.21 O ATOM 172 CB PHE A 14 -13.068 8.095 -4.987 1.00 74.42 C ATOM 173 CG PHE A 14 -14.040 8.310 -3.935 1.00 4.10 C ATOM 174 CD1 PHE A 14 -14.534 7.265 -3.265 1.00 63.43 C ATOM 175 CD2 PHE A 14 -14.446 9.563 -3.619 1.00 72.35 C ATOM 176 CE1 PHE A 14 -15.423 7.427 -2.295 1.00 33.44 C ATOM 177 CE2 PHE A 14 -15.339 9.771 -2.645 1.00 65.13 C ATOM 178 CZ PHE A 14 -15.847 8.705 -1.962 1.00 32.43 C ATOM 0 H PHE A 14 -12.799 9.574 -6.746 1.00 4.22 H new ATOM 0 HA PHE A 14 -13.229 6.761 -6.648 1.00 12.30 H new ATOM 0 HB2 PHE A 14 -12.397 7.296 -4.672 1.00 74.42 H new ATOM 0 HB3 PHE A 14 -12.465 8.998 -5.083 1.00 74.42 H new ATOM 0 HD1 PHE A 14 -14.203 6.269 -3.519 1.00 63.43 H new ATOM 0 HD2 PHE A 14 -14.043 10.406 -4.161 1.00 72.35 H new ATOM 0 HE1 PHE A 14 -15.814 6.570 -1.768 1.00 33.44 H new ATOM 0 HE2 PHE A 14 -15.655 10.775 -2.401 1.00 65.13 H new ATOM 0 HZ PHE A 14 -16.569 8.854 -1.173 1.00 32.43 H new ATOM 188 N LYS A 15 -15.744 8.734 -6.679 1.00 3.52 N ATOM 189 CA LYS A 15 -17.139 8.761 -6.843 1.00 72.32 C ATOM 190 C LYS A 15 -17.543 7.979 -8.057 1.00 1.14 C ATOM 191 O LYS A 15 -18.406 7.150 -7.960 1.00 55.33 O ATOM 192 CB LYS A 15 -17.680 10.173 -6.871 1.00 64.42 C ATOM 193 CG LYS A 15 -19.143 10.235 -7.259 1.00 61.01 C ATOM 194 CD LYS A 15 -19.780 11.586 -7.040 1.00 3.20 C ATOM 195 CE LYS A 15 -21.249 11.545 -7.464 1.00 43.55 C ATOM 196 NZ LYS A 15 -22.016 10.472 -6.767 1.00 5.55 N ATOM 0 H LYS A 15 -15.289 9.641 -6.778 1.00 3.52 H new ATOM 0 HA LYS A 15 -17.586 8.280 -5.973 1.00 72.32 H new ATOM 0 HB2 LYS A 15 -17.550 10.626 -5.888 1.00 64.42 H new ATOM 0 HB3 LYS A 15 -17.097 10.766 -7.575 1.00 64.42 H new ATOM 0 HG2 LYS A 15 -19.241 9.965 -8.310 1.00 61.01 H new ATOM 0 HG3 LYS A 15 -19.692 9.489 -6.685 1.00 61.01 H new ATOM 0 HD2 LYS A 15 -19.704 11.868 -5.990 1.00 3.20 H new ATOM 0 HD3 LYS A 15 -19.248 12.345 -7.613 1.00 3.20 H new ATOM 0 HE2 LYS A 15 -21.711 12.510 -7.256 1.00 43.55 H new ATOM 0 HE3 LYS A 15 -21.309 11.388 -8.541 1.00 43.55 H new ATOM 0 HZ1 LYS A 15 -22.634 9.988 -7.449 1.00 5.55 H new ATOM 0 HZ2 LYS A 15 -21.354 9.786 -6.351 1.00 5.55 H new ATOM 0 HZ3 LYS A 15 -22.596 10.893 -6.014 1.00 5.55 H new ATOM 210 N GLN A 16 -16.825 8.158 -9.169 1.00 71.31 N ATOM 211 CA GLN A 16 -17.183 7.463 -10.400 1.00 21.23 C ATOM 212 C GLN A 16 -17.003 5.982 -10.178 1.00 2.24 C ATOM 213 O GLN A 16 -17.800 5.159 -10.638 1.00 44.52 O ATOM 214 CB GLN A 16 -16.314 7.928 -11.578 1.00 4.45 C ATOM 215 CG GLN A 16 -16.405 9.419 -11.868 1.00 51.11 C ATOM 216 CD GLN A 16 -17.811 9.880 -12.204 1.00 64.41 C ATOM 217 OE1 GLN A 16 -18.604 9.141 -12.771 1.00 1.22 O ATOM 218 NE2 GLN A 16 -18.132 11.094 -11.841 1.00 43.24 N ATOM 0 H GLN A 16 -16.009 8.766 -9.239 1.00 71.31 H new ATOM 0 HA GLN A 16 -18.220 7.689 -10.650 1.00 21.23 H new ATOM 0 HB2 GLN A 16 -15.275 7.672 -11.372 1.00 4.45 H new ATOM 0 HB3 GLN A 16 -16.607 7.377 -12.471 1.00 4.45 H new ATOM 0 HG2 GLN A 16 -16.046 9.973 -11.001 1.00 51.11 H new ATOM 0 HG3 GLN A 16 -15.742 9.662 -12.699 1.00 51.11 H new ATOM 0 HE21 GLN A 16 -17.446 11.684 -11.370 1.00 43.24 H new ATOM 0 HE22 GLN A 16 -19.069 11.452 -12.029 1.00 43.24 H new ATOM 227 N SER A 17 -15.973 5.665 -9.406 1.00 71.31 N ATOM 228 CA SER A 17 -15.662 4.308 -9.064 1.00 23.10 C ATOM 229 C SER A 17 -16.818 3.623 -8.291 1.00 43.10 C ATOM 230 O SER A 17 -17.228 2.525 -8.660 1.00 32.11 O ATOM 231 CB SER A 17 -14.379 4.274 -8.261 1.00 24.44 C ATOM 232 OG SER A 17 -13.355 4.989 -8.940 1.00 10.34 O ATOM 0 H SER A 17 -15.335 6.353 -9.004 1.00 71.31 H new ATOM 0 HA SER A 17 -15.527 3.745 -9.987 1.00 23.10 H new ATOM 0 HB2 SER A 17 -14.546 4.711 -7.277 1.00 24.44 H new ATOM 0 HB3 SER A 17 -14.068 3.241 -8.103 1.00 24.44 H new ATOM 0 HG SER A 17 -12.531 4.962 -8.411 1.00 10.34 H new ATOM 238 N PHE A 18 -17.355 4.264 -7.239 1.00 24.23 N ATOM 239 CA PHE A 18 -18.437 3.609 -6.499 1.00 44.14 C ATOM 240 C PHE A 18 -19.794 3.761 -7.197 1.00 65.12 C ATOM 241 O PHE A 18 -20.581 2.816 -7.240 1.00 40.24 O ATOM 242 CB PHE A 18 -18.504 3.984 -4.983 1.00 43.40 C ATOM 243 CG PHE A 18 -18.957 5.366 -4.613 1.00 33.12 C ATOM 244 CD1 PHE A 18 -20.297 5.627 -4.391 1.00 12.25 C ATOM 245 CD2 PHE A 18 -18.057 6.382 -4.448 1.00 30.05 C ATOM 246 CE1 PHE A 18 -20.716 6.882 -4.022 1.00 54.21 C ATOM 247 CE2 PHE A 18 -18.471 7.640 -4.078 1.00 32.25 C ATOM 248 CZ PHE A 18 -19.797 7.891 -3.868 1.00 21.12 C ATOM 0 H PHE A 18 -17.075 5.184 -6.898 1.00 24.23 H new ATOM 0 HA PHE A 18 -18.182 2.549 -6.512 1.00 44.14 H new ATOM 0 HB2 PHE A 18 -19.170 3.273 -4.493 1.00 43.40 H new ATOM 0 HB3 PHE A 18 -17.511 3.835 -4.559 1.00 43.40 H new ATOM 0 HD1 PHE A 18 -21.022 4.835 -4.509 1.00 12.25 H new ATOM 0 HD2 PHE A 18 -17.006 6.194 -4.611 1.00 30.05 H new ATOM 0 HE1 PHE A 18 -21.765 7.075 -3.853 1.00 54.21 H new ATOM 0 HE2 PHE A 18 -17.746 8.431 -3.953 1.00 32.25 H new ATOM 0 HZ PHE A 18 -20.122 8.880 -3.582 1.00 21.12 H new ATOM 258 N ASP A 19 -20.026 4.935 -7.768 1.00 45.52 N ATOM 259 CA ASP A 19 -21.276 5.286 -8.486 1.00 14.01 C ATOM 260 C ASP A 19 -21.565 4.342 -9.618 1.00 55.34 C ATOM 261 O ASP A 19 -22.714 3.994 -9.859 1.00 33.40 O ATOM 262 CB ASP A 19 -21.168 6.678 -9.074 1.00 2.42 C ATOM 263 CG ASP A 19 -21.633 7.807 -8.174 1.00 53.01 C ATOM 264 OD1 ASP A 19 -21.172 7.933 -7.017 1.00 43.14 O ATOM 265 OD2 ASP A 19 -22.450 8.635 -8.613 1.00 2.25 O ATOM 0 H ASP A 19 -19.346 5.696 -7.753 1.00 45.52 H new ATOM 0 HA ASP A 19 -22.080 5.226 -7.753 1.00 14.01 H new ATOM 0 HB2 ASP A 19 -20.128 6.859 -9.346 1.00 2.42 H new ATOM 0 HB3 ASP A 19 -21.748 6.710 -9.996 1.00 2.42 H new ATOM 270 N ALA A 20 -20.511 3.948 -10.337 1.00 25.35 N ATOM 271 CA ALA A 20 -20.640 3.040 -11.472 1.00 4.24 C ATOM 272 C ALA A 20 -21.297 1.720 -11.078 1.00 11.35 C ATOM 273 O ALA A 20 -21.984 1.099 -11.882 1.00 61.21 O ATOM 274 CB ALA A 20 -19.272 2.774 -12.089 1.00 13.14 C ATOM 0 H ALA A 20 -19.554 4.248 -10.149 1.00 25.35 H new ATOM 0 HA ALA A 20 -21.285 3.524 -12.205 1.00 4.24 H new ATOM 0 HB1 ALA A 20 -19.380 2.095 -12.935 1.00 13.14 H new ATOM 0 HB2 ALA A 20 -18.838 3.714 -12.431 1.00 13.14 H new ATOM 0 HB3 ALA A 20 -18.618 2.323 -11.343 1.00 13.14 H new ATOM 280 N PHE A 21 -21.065 1.301 -9.855 1.00 71.04 N ATOM 281 CA PHE A 21 -21.586 0.043 -9.373 1.00 2.22 C ATOM 282 C PHE A 21 -22.826 0.199 -8.489 1.00 20.11 C ATOM 283 O PHE A 21 -23.858 -0.416 -8.750 1.00 43.15 O ATOM 284 CB PHE A 21 -20.507 -0.731 -8.636 1.00 14.21 C ATOM 285 CG PHE A 21 -19.363 -1.199 -9.499 1.00 42.24 C ATOM 286 CD1 PHE A 21 -19.441 -2.408 -10.174 1.00 23.04 C ATOM 287 CD2 PHE A 21 -18.210 -0.442 -9.624 1.00 33.34 C ATOM 288 CE1 PHE A 21 -18.393 -2.849 -10.958 1.00 24.12 C ATOM 289 CE2 PHE A 21 -17.157 -0.879 -10.405 1.00 53.52 C ATOM 290 CZ PHE A 21 -17.249 -2.083 -11.074 1.00 23.41 C ATOM 0 H PHE A 21 -20.514 1.819 -9.171 1.00 71.04 H new ATOM 0 HA PHE A 21 -21.901 -0.517 -10.254 1.00 2.22 H new ATOM 0 HB2 PHE A 21 -20.109 -0.103 -7.839 1.00 14.21 H new ATOM 0 HB3 PHE A 21 -20.963 -1.599 -8.160 1.00 14.21 H new ATOM 0 HD1 PHE A 21 -20.332 -3.012 -10.086 1.00 23.04 H new ATOM 0 HD2 PHE A 21 -18.133 0.502 -9.105 1.00 33.34 H new ATOM 0 HE1 PHE A 21 -18.468 -3.792 -11.480 1.00 24.12 H new ATOM 0 HE2 PHE A 21 -16.263 -0.279 -10.492 1.00 53.52 H new ATOM 0 HZ PHE A 21 -16.428 -2.426 -11.687 1.00 23.41 H new ATOM 300 N ASP A 22 -22.726 1.038 -7.451 1.00 60.51 N ATOM 301 CA ASP A 22 -23.794 1.136 -6.446 1.00 43.40 C ATOM 302 C ASP A 22 -25.053 1.733 -7.031 1.00 33.22 C ATOM 303 O ASP A 22 -25.015 2.711 -7.789 1.00 63.03 O ATOM 304 CB ASP A 22 -23.361 1.924 -5.207 1.00 4.44 C ATOM 305 CG ASP A 22 -24.319 1.754 -4.025 1.00 3.30 C ATOM 306 OD1 ASP A 22 -25.445 2.310 -4.070 1.00 4.42 O ATOM 307 OD2 ASP A 22 -23.961 1.042 -3.057 1.00 0.30 O ATOM 0 H ASP A 22 -21.928 1.652 -7.285 1.00 60.51 H new ATOM 0 HA ASP A 22 -24.008 0.115 -6.129 1.00 43.40 H new ATOM 0 HB2 ASP A 22 -22.364 1.602 -4.908 1.00 4.44 H new ATOM 0 HB3 ASP A 22 -23.291 2.981 -5.462 1.00 4.44 H new ATOM 312 N GLY A 23 -26.156 1.160 -6.642 1.00 14.14 N ATOM 313 CA GLY A 23 -27.431 1.523 -7.184 1.00 35.03 C ATOM 314 C GLY A 23 -28.019 2.805 -6.626 1.00 50.30 C ATOM 315 O GLY A 23 -28.828 3.438 -7.298 1.00 63.25 O ATOM 0 H GLY A 23 -26.195 0.424 -5.936 1.00 14.14 H new ATOM 0 HA2 GLY A 23 -27.335 1.625 -8.265 1.00 35.03 H new ATOM 0 HA3 GLY A 23 -28.132 0.709 -7.002 1.00 35.03 H new ATOM 319 N ASN A 24 -27.649 3.196 -5.415 1.00 24.11 N ATOM 320 CA ASN A 24 -28.250 4.411 -4.848 1.00 70.50 C ATOM 321 C ASN A 24 -27.167 5.448 -4.535 1.00 24.22 C ATOM 322 O ASN A 24 -27.437 6.644 -4.497 1.00 14.13 O ATOM 323 CB ASN A 24 -29.092 4.060 -3.601 1.00 72.45 C ATOM 324 CG ASN A 24 -30.084 5.156 -3.208 1.00 13.31 C ATOM 325 OD1 ASN A 24 -31.209 5.199 -3.721 1.00 72.44 O ATOM 326 ND2 ASN A 24 -29.733 5.978 -2.271 1.00 64.43 N ATOM 0 H ASN A 24 -26.968 2.721 -4.823 1.00 24.11 H new ATOM 0 HA ASN A 24 -28.921 4.854 -5.583 1.00 70.50 H new ATOM 0 HB2 ASN A 24 -29.639 3.136 -3.790 1.00 72.45 H new ATOM 0 HB3 ASN A 24 -28.423 3.869 -2.762 1.00 72.45 H new ATOM 0 HD21 ASN A 24 -30.391 6.683 -1.938 1.00 64.43 H new ATOM 0 HD22 ASN A 24 -28.799 5.920 -1.865 1.00 64.43 H new ATOM 333 N HIS A 25 -25.922 4.952 -4.375 1.00 34.14 N ATOM 334 CA HIS A 25 -24.684 5.753 -4.230 1.00 33.45 C ATOM 335 C HIS A 25 -24.794 7.068 -3.422 1.00 12.23 C ATOM 336 O HIS A 25 -24.434 8.159 -3.907 1.00 20.13 O ATOM 337 CB HIS A 25 -23.933 5.929 -5.584 1.00 23.02 C ATOM 338 CG HIS A 25 -24.775 6.400 -6.744 1.00 34.32 C ATOM 339 ND1 HIS A 25 -25.166 5.582 -7.785 1.00 4.12 N ATOM 340 CD2 HIS A 25 -25.289 7.624 -7.023 1.00 35.45 C ATOM 341 CE1 HIS A 25 -25.882 6.311 -8.637 1.00 23.13 C ATOM 342 NE2 HIS A 25 -25.992 7.563 -8.223 1.00 61.50 N ATOM 0 H HIS A 25 -25.743 3.948 -4.342 1.00 34.14 H new ATOM 0 HA HIS A 25 -24.063 5.136 -3.580 1.00 33.45 H new ATOM 0 HB2 HIS A 25 -23.120 6.640 -5.437 1.00 23.02 H new ATOM 0 HB3 HIS A 25 -23.478 4.975 -5.853 1.00 23.02 H new ATOM 0 HD1 HIS A 25 -24.945 4.591 -7.884 1.00 4.12 H new ATOM 0 HD2 HIS A 25 -25.171 8.506 -6.411 1.00 35.45 H new ATOM 0 HE1 HIS A 25 -26.317 5.930 -9.549 1.00 23.13 H new ATOM 350 N ASP A 26 -25.214 6.947 -2.166 1.00 21.44 N ATOM 351 CA ASP A 26 -25.382 8.094 -1.210 1.00 41.14 C ATOM 352 C ASP A 26 -24.023 8.589 -0.699 1.00 22.44 C ATOM 353 O ASP A 26 -23.910 9.121 0.404 1.00 3.04 O ATOM 354 CB ASP A 26 -26.187 7.634 0.016 1.00 55.24 C ATOM 355 CG ASP A 26 -27.508 7.025 -0.328 1.00 74.22 C ATOM 356 OD1 ASP A 26 -27.524 5.835 -0.731 1.00 71.43 O ATOM 357 OD2 ASP A 26 -28.538 7.704 -0.197 1.00 33.11 O ATOM 0 H ASP A 26 -25.457 6.046 -1.755 1.00 21.44 H new ATOM 0 HA ASP A 26 -25.894 8.894 -1.745 1.00 41.14 H new ATOM 0 HB2 ASP A 26 -25.597 6.908 0.576 1.00 55.24 H new ATOM 0 HB3 ASP A 26 -26.350 8.488 0.674 1.00 55.24 H new ATOM 362 N GLY A 27 -23.009 8.453 -1.510 1.00 65.34 N ATOM 363 CA GLY A 27 -21.667 8.746 -1.073 1.00 53.14 C ATOM 364 C GLY A 27 -21.105 7.545 -0.374 1.00 74.32 C ATOM 365 O GLY A 27 -20.120 7.625 0.361 1.00 61.01 O ATOM 0 H GLY A 27 -23.085 8.141 -2.478 1.00 65.34 H new ATOM 0 HA2 GLY A 27 -21.043 9.010 -1.927 1.00 53.14 H new ATOM 0 HA3 GLY A 27 -21.669 9.605 -0.402 1.00 53.14 H new ATOM 369 N ILE A 28 -21.764 6.421 -0.589 1.00 22.42 N ATOM 370 CA ILE A 28 -21.401 5.179 0.023 1.00 54.34 C ATOM 371 C ILE A 28 -21.621 4.065 -0.992 1.00 60.51 C ATOM 372 O ILE A 28 -22.294 4.276 -2.004 1.00 64.42 O ATOM 373 CB ILE A 28 -22.286 4.858 1.293 1.00 65.54 C ATOM 374 CG1 ILE A 28 -23.753 4.594 0.879 1.00 54.33 C ATOM 375 CG2 ILE A 28 -22.236 5.998 2.317 1.00 74.53 C ATOM 376 CD1 ILE A 28 -24.677 4.216 2.023 1.00 2.50 C ATOM 0 H ILE A 28 -22.575 6.356 -1.204 1.00 22.42 H new ATOM 0 HA ILE A 28 -20.360 5.252 0.339 1.00 54.34 H new ATOM 0 HB ILE A 28 -21.875 3.962 1.758 1.00 65.54 H new ATOM 0 HG12 ILE A 28 -24.145 5.487 0.393 1.00 54.33 H new ATOM 0 HG13 ILE A 28 -23.769 3.795 0.138 1.00 54.33 H new ATOM 0 HG21 ILE A 28 -22.856 5.743 3.176 1.00 74.53 H new ATOM 0 HG22 ILE A 28 -21.207 6.149 2.644 1.00 74.53 H new ATOM 0 HG23 ILE A 28 -22.610 6.914 1.860 1.00 74.53 H new ATOM 0 HD11 ILE A 28 -25.683 4.050 1.638 1.00 2.50 H new ATOM 0 HD12 ILE A 28 -24.315 3.304 2.497 1.00 2.50 H new ATOM 0 HD13 ILE A 28 -24.697 5.022 2.756 1.00 2.50 H new ATOM 388 N LEU A 29 -21.028 2.932 -0.738 1.00 43.24 N ATOM 389 CA LEU A 29 -21.239 1.749 -1.516 1.00 41.12 C ATOM 390 C LEU A 29 -21.523 0.621 -0.510 1.00 64.34 C ATOM 391 O LEU A 29 -20.784 0.479 0.475 1.00 75.24 O ATOM 392 CB LEU A 29 -19.962 1.434 -2.308 1.00 61.14 C ATOM 393 CG LEU A 29 -20.134 0.788 -3.673 1.00 70.14 C ATOM 394 CD1 LEU A 29 -18.809 0.623 -4.351 1.00 63.44 C ATOM 395 CD2 LEU A 29 -20.839 -0.526 -3.585 1.00 53.15 C ATOM 0 H LEU A 29 -20.371 2.805 0.032 1.00 43.24 H new ATOM 0 HA LEU A 29 -22.061 1.865 -2.222 1.00 41.12 H new ATOM 0 HB2 LEU A 29 -19.409 2.364 -2.441 1.00 61.14 H new ATOM 0 HB3 LEU A 29 -19.340 0.778 -1.699 1.00 61.14 H new ATOM 0 HG LEU A 29 -20.756 1.456 -4.269 1.00 70.14 H new ATOM 0 HD11 LEU A 29 -18.955 0.159 -5.326 1.00 63.44 H new ATOM 0 HD12 LEU A 29 -18.342 1.599 -4.480 1.00 63.44 H new ATOM 0 HD13 LEU A 29 -18.164 -0.010 -3.741 1.00 63.44 H new ATOM 0 HD21 LEU A 29 -20.940 -0.952 -4.583 1.00 53.15 H new ATOM 0 HD22 LEU A 29 -20.264 -1.206 -2.957 1.00 53.15 H new ATOM 0 HD23 LEU A 29 -21.828 -0.380 -3.151 1.00 53.15 H new ATOM 407 N ASP A 30 -22.564 -0.141 -0.716 1.00 71.02 N ATOM 408 CA ASP A 30 -22.887 -1.255 0.209 1.00 23.35 C ATOM 409 C ASP A 30 -21.947 -2.467 0.032 1.00 1.53 C ATOM 410 O ASP A 30 -21.370 -2.670 -1.034 1.00 42.04 O ATOM 411 CB ASP A 30 -24.366 -1.676 0.109 1.00 12.31 C ATOM 412 CG ASP A 30 -24.651 -2.941 0.899 1.00 42.41 C ATOM 413 OD1 ASP A 30 -24.648 -2.890 2.151 1.00 42.42 O ATOM 414 OD2 ASP A 30 -24.774 -4.005 0.275 1.00 75.11 O ATOM 0 H ASP A 30 -23.210 -0.034 -1.498 1.00 71.02 H new ATOM 0 HA ASP A 30 -22.720 -0.870 1.215 1.00 23.35 H new ATOM 0 HB2 ASP A 30 -24.999 -0.868 0.477 1.00 12.31 H new ATOM 0 HB3 ASP A 30 -24.628 -1.835 -0.937 1.00 12.31 H new ATOM 419 N LYS A 31 -21.822 -3.268 1.096 1.00 54.11 N ATOM 420 CA LYS A 31 -20.954 -4.437 1.154 1.00 34.43 C ATOM 421 C LYS A 31 -21.332 -5.470 0.087 1.00 23.21 C ATOM 422 O LYS A 31 -20.450 -6.068 -0.547 1.00 75.30 O ATOM 423 CB LYS A 31 -21.071 -5.099 2.539 1.00 24.31 C ATOM 424 CG LYS A 31 -20.127 -6.286 2.764 1.00 61.12 C ATOM 425 CD LYS A 31 -20.419 -6.978 4.091 1.00 22.41 C ATOM 426 CE LYS A 31 -19.333 -7.988 4.467 1.00 24.34 C ATOM 427 NZ LYS A 31 -19.177 -9.102 3.500 1.00 21.12 N ATOM 0 H LYS A 31 -22.338 -3.112 1.962 1.00 54.11 H new ATOM 0 HA LYS A 31 -19.933 -4.101 0.972 1.00 34.43 H new ATOM 0 HB2 LYS A 31 -20.876 -4.347 3.304 1.00 24.31 H new ATOM 0 HB3 LYS A 31 -22.098 -5.437 2.679 1.00 24.31 H new ATOM 0 HG2 LYS A 31 -20.235 -7.000 1.947 1.00 61.12 H new ATOM 0 HG3 LYS A 31 -19.094 -5.940 2.751 1.00 61.12 H new ATOM 0 HD2 LYS A 31 -20.505 -6.229 4.878 1.00 22.41 H new ATOM 0 HD3 LYS A 31 -21.381 -7.487 4.029 1.00 22.41 H new ATOM 0 HE2 LYS A 31 -18.381 -7.464 4.557 1.00 24.34 H new ATOM 0 HE3 LYS A 31 -19.563 -8.403 5.448 1.00 24.34 H new ATOM 0 HZ1 LYS A 31 -18.663 -9.885 3.952 1.00 21.12 H new ATOM 0 HZ2 LYS A 31 -20.115 -9.433 3.197 1.00 21.12 H new ATOM 0 HZ3 LYS A 31 -18.643 -8.770 2.672 1.00 21.12 H new ATOM 441 N LEU A 32 -22.630 -5.666 -0.122 1.00 44.11 N ATOM 442 CA LEU A 32 -23.103 -6.683 -1.044 1.00 21.24 C ATOM 443 C LEU A 32 -22.763 -6.329 -2.471 1.00 43.11 C ATOM 444 O LEU A 32 -22.427 -7.205 -3.262 1.00 43.20 O ATOM 445 CB LEU A 32 -24.613 -6.996 -0.884 1.00 52.31 C ATOM 446 CG LEU A 32 -25.065 -7.775 0.386 1.00 62.02 C ATOM 447 CD1 LEU A 32 -24.341 -9.109 0.505 1.00 1.53 C ATOM 448 CD2 LEU A 32 -24.906 -6.956 1.664 1.00 15.41 C ATOM 0 H LEU A 32 -23.369 -5.133 0.336 1.00 44.11 H new ATOM 0 HA LEU A 32 -22.574 -7.600 -0.785 1.00 21.24 H new ATOM 0 HB2 LEU A 32 -25.155 -6.050 -0.907 1.00 52.31 H new ATOM 0 HB3 LEU A 32 -24.931 -7.566 -1.757 1.00 52.31 H new ATOM 0 HG LEU A 32 -26.130 -7.972 0.264 1.00 62.02 H new ATOM 0 HD11 LEU A 32 -24.679 -9.628 1.402 1.00 1.53 H new ATOM 0 HD12 LEU A 32 -24.558 -9.720 -0.371 1.00 1.53 H new ATOM 0 HD13 LEU A 32 -23.267 -8.936 0.570 1.00 1.53 H new ATOM 0 HD21 LEU A 32 -25.236 -7.547 2.518 1.00 15.41 H new ATOM 0 HD22 LEU A 32 -23.859 -6.684 1.794 1.00 15.41 H new ATOM 0 HD23 LEU A 32 -25.510 -6.051 1.594 1.00 15.41 H new ATOM 460 N GLU A 33 -22.808 -5.057 -2.790 1.00 31.41 N ATOM 461 CA GLU A 33 -22.431 -4.635 -4.114 1.00 5.31 C ATOM 462 C GLU A 33 -20.918 -4.507 -4.221 1.00 20.52 C ATOM 463 O GLU A 33 -20.339 -4.958 -5.177 1.00 70.52 O ATOM 464 CB GLU A 33 -23.180 -3.358 -4.558 1.00 72.51 C ATOM 465 CG GLU A 33 -22.765 -2.806 -5.934 1.00 0.13 C ATOM 466 CD GLU A 33 -22.615 -3.881 -7.004 1.00 33.32 C ATOM 467 OE1 GLU A 33 -23.584 -4.618 -7.263 1.00 4.34 O ATOM 468 OE2 GLU A 33 -21.494 -3.994 -7.572 1.00 60.22 O ATOM 0 H GLU A 33 -23.097 -4.308 -2.161 1.00 31.41 H new ATOM 0 HA GLU A 33 -22.741 -5.408 -4.818 1.00 5.31 H new ATOM 0 HB2 GLU A 33 -24.249 -3.569 -4.575 1.00 72.51 H new ATOM 0 HB3 GLU A 33 -23.021 -2.582 -3.809 1.00 72.51 H new ATOM 0 HG2 GLU A 33 -23.507 -2.079 -6.263 1.00 0.13 H new ATOM 0 HG3 GLU A 33 -21.820 -2.273 -5.832 1.00 0.13 H new ATOM 475 N PHE A 34 -20.261 -3.983 -3.191 1.00 3.33 N ATOM 476 CA PHE A 34 -18.798 -3.817 -3.234 1.00 1.14 C ATOM 477 C PHE A 34 -18.109 -5.195 -3.381 1.00 54.41 C ATOM 478 O PHE A 34 -16.989 -5.312 -3.919 1.00 61.24 O ATOM 479 CB PHE A 34 -18.306 -3.023 -2.011 1.00 0.21 C ATOM 480 CG PHE A 34 -16.924 -2.434 -2.135 1.00 13.04 C ATOM 481 CD1 PHE A 34 -16.619 -1.619 -3.201 1.00 74.44 C ATOM 482 CD2 PHE A 34 -15.962 -2.648 -1.168 1.00 42.23 C ATOM 483 CE1 PHE A 34 -15.392 -1.019 -3.321 1.00 1.12 C ATOM 484 CE2 PHE A 34 -14.721 -2.049 -1.264 1.00 72.31 C ATOM 485 CZ PHE A 34 -14.432 -1.230 -2.336 1.00 23.14 C ATOM 0 H PHE A 34 -20.702 -3.668 -2.327 1.00 3.33 H new ATOM 0 HA PHE A 34 -18.523 -3.231 -4.111 1.00 1.14 H new ATOM 0 HB2 PHE A 34 -19.011 -2.215 -1.817 1.00 0.21 H new ATOM 0 HB3 PHE A 34 -18.326 -3.679 -1.141 1.00 0.21 H new ATOM 0 HD1 PHE A 34 -17.365 -1.448 -3.963 1.00 74.44 H new ATOM 0 HD2 PHE A 34 -16.182 -3.290 -0.328 1.00 42.23 H new ATOM 0 HE1 PHE A 34 -15.173 -0.389 -4.171 1.00 1.12 H new ATOM 0 HE2 PHE A 34 -13.977 -2.222 -0.500 1.00 72.31 H new ATOM 0 HZ PHE A 34 -13.465 -0.755 -2.410 1.00 23.14 H new ATOM 495 N ARG A 35 -18.831 -6.230 -2.941 1.00 1.11 N ATOM 496 CA ARG A 35 -18.468 -7.632 -3.128 1.00 51.23 C ATOM 497 C ARG A 35 -18.327 -7.946 -4.636 1.00 32.04 C ATOM 498 O ARG A 35 -17.387 -8.640 -5.061 1.00 44.34 O ATOM 499 CB ARG A 35 -19.580 -8.488 -2.519 1.00 55.10 C ATOM 500 CG ARG A 35 -19.392 -9.991 -2.578 1.00 42.03 C ATOM 501 CD ARG A 35 -18.299 -10.494 -1.645 1.00 24.32 C ATOM 502 NE ARG A 35 -18.313 -11.957 -1.626 1.00 3.52 N ATOM 503 CZ ARG A 35 -18.281 -12.735 -0.523 1.00 22.21 C ATOM 504 NH1 ARG A 35 -17.862 -12.278 0.664 1.00 14.10 N ATOM 505 NH2 ARG A 35 -18.595 -14.013 -0.620 1.00 2.23 N ATOM 0 H ARG A 35 -19.707 -6.109 -2.432 1.00 1.11 H new ATOM 0 HA ARG A 35 -17.515 -7.845 -2.644 1.00 51.23 H new ATOM 0 HB2 ARG A 35 -19.697 -8.201 -1.474 1.00 55.10 H new ATOM 0 HB3 ARG A 35 -20.514 -8.242 -3.024 1.00 55.10 H new ATOM 0 HG2 ARG A 35 -20.333 -10.479 -2.322 1.00 42.03 H new ATOM 0 HG3 ARG A 35 -19.150 -10.281 -3.601 1.00 42.03 H new ATOM 0 HD2 ARG A 35 -17.326 -10.133 -1.978 1.00 24.32 H new ATOM 0 HD3 ARG A 35 -18.456 -10.105 -0.639 1.00 24.32 H new ATOM 0 HE ARG A 35 -18.350 -12.432 -2.528 1.00 3.52 H new ATOM 0 HH11 ARG A 35 -17.552 -11.311 0.758 1.00 14.10 H new ATOM 0 HH12 ARG A 35 -17.853 -12.897 1.474 1.00 14.10 H new ATOM 0 HH21 ARG A 35 -18.859 -14.406 -1.523 1.00 2.23 H new ATOM 0 HH22 ARG A 35 -18.573 -14.608 0.208 1.00 2.23 H new ATOM 519 N SER A 36 -19.243 -7.416 -5.414 1.00 22.53 N ATOM 520 CA SER A 36 -19.276 -7.597 -6.847 1.00 0.33 C ATOM 521 C SER A 36 -18.319 -6.596 -7.519 1.00 64.42 C ATOM 522 O SER A 36 -17.719 -6.884 -8.564 1.00 72.31 O ATOM 523 CB SER A 36 -20.707 -7.369 -7.338 1.00 20.33 C ATOM 524 OG SER A 36 -21.629 -8.118 -6.552 1.00 30.00 O ATOM 0 H SER A 36 -20.002 -6.834 -5.060 1.00 22.53 H new ATOM 0 HA SER A 36 -18.958 -8.608 -7.103 1.00 0.33 H new ATOM 0 HB2 SER A 36 -20.952 -6.308 -7.284 1.00 20.33 H new ATOM 0 HB3 SER A 36 -20.790 -7.662 -8.385 1.00 20.33 H new ATOM 0 HG SER A 36 -22.540 -7.960 -6.877 1.00 30.00 H new ATOM 530 N CYS A 37 -18.166 -5.439 -6.904 1.00 41.22 N ATOM 531 CA CYS A 37 -17.289 -4.402 -7.403 1.00 20.04 C ATOM 532 C CYS A 37 -15.833 -4.872 -7.476 1.00 15.02 C ATOM 533 O CYS A 37 -15.227 -4.823 -8.529 1.00 2.44 O ATOM 534 CB CYS A 37 -17.374 -3.161 -6.528 1.00 43.24 C ATOM 535 SG CYS A 37 -19.032 -2.498 -6.322 1.00 25.10 S ATOM 0 H CYS A 37 -18.650 -5.193 -6.040 1.00 41.22 H new ATOM 0 HA CYS A 37 -17.623 -4.162 -8.412 1.00 20.04 H new ATOM 0 HB2 CYS A 37 -16.968 -3.398 -5.545 1.00 43.24 H new ATOM 0 HB3 CYS A 37 -16.739 -2.386 -6.957 1.00 43.24 H new ATOM 0 HG CYS A 37 -19.887 -3.274 -6.919 1.00 25.10 H new ATOM 541 N LEU A 38 -15.294 -5.377 -6.366 1.00 25.40 N ATOM 542 CA LEU A 38 -13.866 -5.751 -6.315 1.00 44.31 C ATOM 543 C LEU A 38 -13.534 -6.981 -7.165 1.00 15.54 C ATOM 544 O LEU A 38 -12.361 -7.207 -7.563 1.00 40.00 O ATOM 545 CB LEU A 38 -13.371 -5.906 -4.872 1.00 20.13 C ATOM 546 CG LEU A 38 -13.520 -4.665 -3.973 1.00 72.12 C ATOM 547 CD1 LEU A 38 -12.856 -4.887 -2.627 1.00 0.23 C ATOM 548 CD2 LEU A 38 -12.961 -3.415 -4.646 1.00 12.33 C ATOM 0 H LEU A 38 -15.808 -5.538 -5.500 1.00 25.40 H new ATOM 0 HA LEU A 38 -13.321 -4.920 -6.764 1.00 44.31 H new ATOM 0 HB2 LEU A 38 -13.911 -6.732 -4.410 1.00 20.13 H new ATOM 0 HB3 LEU A 38 -12.318 -6.188 -4.898 1.00 20.13 H new ATOM 0 HG LEU A 38 -14.586 -4.507 -3.810 1.00 72.12 H new ATOM 0 HD11 LEU A 38 -12.975 -3.996 -2.011 1.00 0.23 H new ATOM 0 HD12 LEU A 38 -13.320 -5.738 -2.128 1.00 0.23 H new ATOM 0 HD13 LEU A 38 -11.795 -5.087 -2.773 1.00 0.23 H new ATOM 0 HD21 LEU A 38 -13.083 -2.559 -3.982 1.00 12.33 H new ATOM 0 HD22 LEU A 38 -11.902 -3.560 -4.860 1.00 12.33 H new ATOM 0 HD23 LEU A 38 -13.498 -3.232 -5.577 1.00 12.33 H new ATOM 560 N SER A 39 -14.533 -7.761 -7.455 1.00 61.21 N ATOM 561 CA SER A 39 -14.356 -8.901 -8.293 1.00 60.50 C ATOM 562 C SER A 39 -14.389 -8.479 -9.767 1.00 25.34 C ATOM 563 O SER A 39 -13.471 -8.776 -10.519 1.00 64.04 O ATOM 564 CB SER A 39 -15.395 -9.962 -7.935 1.00 31.30 C ATOM 565 OG SER A 39 -16.653 -9.355 -7.688 1.00 23.21 O ATOM 0 H SER A 39 -15.486 -7.623 -7.118 1.00 61.21 H new ATOM 0 HA SER A 39 -13.377 -9.351 -8.128 1.00 60.50 H new ATOM 0 HB2 SER A 39 -15.484 -10.682 -8.748 1.00 31.30 H new ATOM 0 HB3 SER A 39 -15.071 -10.515 -7.053 1.00 31.30 H new ATOM 0 HG SER A 39 -16.747 -9.175 -6.729 1.00 23.21 H new ATOM 571 N SER A 40 -15.392 -7.689 -10.134 1.00 42.21 N ATOM 572 CA SER A 40 -15.537 -7.195 -11.505 1.00 10.44 C ATOM 573 C SER A 40 -14.438 -6.164 -11.851 1.00 32.23 C ATOM 574 O SER A 40 -14.165 -5.894 -13.013 1.00 33.12 O ATOM 575 CB SER A 40 -16.922 -6.577 -11.676 1.00 72.13 C ATOM 576 OG SER A 40 -17.928 -7.495 -11.269 1.00 35.04 O ATOM 0 H SER A 40 -16.124 -7.373 -9.498 1.00 42.21 H new ATOM 0 HA SER A 40 -15.425 -8.034 -12.191 1.00 10.44 H new ATOM 0 HB2 SER A 40 -16.995 -5.663 -11.086 1.00 72.13 H new ATOM 0 HB3 SER A 40 -17.076 -6.297 -12.718 1.00 72.13 H new ATOM 0 HG SER A 40 -18.034 -7.454 -10.296 1.00 35.04 H new ATOM 582 N MET A 41 -13.829 -5.593 -10.818 1.00 1.33 N ATOM 583 CA MET A 41 -12.730 -4.640 -10.977 1.00 21.34 C ATOM 584 C MET A 41 -11.441 -5.383 -11.331 1.00 11.51 C ATOM 585 O MET A 41 -10.490 -4.796 -11.832 1.00 42.14 O ATOM 586 CB MET A 41 -12.545 -3.835 -9.677 1.00 75.31 C ATOM 587 CG MET A 41 -11.464 -2.759 -9.720 1.00 42.42 C ATOM 588 SD MET A 41 -11.310 -1.861 -8.154 1.00 23.02 S ATOM 589 CE MET A 41 -12.924 -1.083 -8.024 1.00 34.02 C ATOM 0 H MET A 41 -14.081 -5.776 -9.847 1.00 1.33 H new ATOM 0 HA MET A 41 -12.968 -3.950 -11.787 1.00 21.34 H new ATOM 0 HB2 MET A 41 -13.494 -3.362 -9.425 1.00 75.31 H new ATOM 0 HB3 MET A 41 -12.310 -4.529 -8.870 1.00 75.31 H new ATOM 0 HG2 MET A 41 -10.507 -3.220 -9.965 1.00 42.42 H new ATOM 0 HG3 MET A 41 -11.691 -2.053 -10.518 1.00 42.42 H new ATOM 0 HE1 MET A 41 -12.876 -0.264 -7.306 1.00 34.02 H new ATOM 0 HE2 MET A 41 -13.220 -0.695 -8.998 1.00 34.02 H new ATOM 0 HE3 MET A 41 -13.656 -1.818 -7.688 1.00 34.02 H new ATOM 599 N GLY A 42 -11.431 -6.676 -11.077 1.00 61.34 N ATOM 600 CA GLY A 42 -10.274 -7.470 -11.382 1.00 53.42 C ATOM 601 C GLY A 42 -9.327 -7.601 -10.217 1.00 10.10 C ATOM 602 O GLY A 42 -8.156 -7.899 -10.406 1.00 40.32 O ATOM 0 H GLY A 42 -12.209 -7.190 -10.663 1.00 61.34 H new ATOM 0 HA2 GLY A 42 -10.594 -8.463 -11.696 1.00 53.42 H new ATOM 0 HA3 GLY A 42 -9.746 -7.024 -12.225 1.00 53.42 H new ATOM 606 N LEU A 43 -9.817 -7.379 -9.007 1.00 51.43 N ATOM 607 CA LEU A 43 -8.969 -7.540 -7.844 1.00 23.44 C ATOM 608 C LEU A 43 -9.062 -8.925 -7.333 1.00 53.34 C ATOM 609 O LEU A 43 -8.075 -9.634 -7.213 1.00 62.54 O ATOM 610 CB LEU A 43 -9.348 -6.595 -6.708 1.00 54.14 C ATOM 611 CG LEU A 43 -8.923 -5.129 -6.841 1.00 0.33 C ATOM 612 CD1 LEU A 43 -9.323 -4.357 -5.604 1.00 10.31 C ATOM 613 CD2 LEU A 43 -7.419 -5.008 -7.074 1.00 33.43 C ATOM 0 H LEU A 43 -10.776 -7.093 -8.810 1.00 51.43 H new ATOM 0 HA LEU A 43 -7.955 -7.307 -8.169 1.00 23.44 H new ATOM 0 HB2 LEU A 43 -10.432 -6.623 -6.594 1.00 54.14 H new ATOM 0 HB3 LEU A 43 -8.920 -6.988 -5.786 1.00 54.14 H new ATOM 0 HG LEU A 43 -9.433 -4.707 -7.707 1.00 0.33 H new ATOM 0 HD11 LEU A 43 -9.016 -3.316 -5.709 1.00 10.31 H new ATOM 0 HD12 LEU A 43 -10.405 -4.405 -5.479 1.00 10.31 H new ATOM 0 HD13 LEU A 43 -8.837 -4.792 -4.731 1.00 10.31 H new ATOM 0 HD21 LEU A 43 -7.148 -3.956 -7.164 1.00 33.43 H new ATOM 0 HD22 LEU A 43 -6.884 -5.450 -6.233 1.00 33.43 H new ATOM 0 HD23 LEU A 43 -7.150 -5.532 -7.991 1.00 33.43 H new ATOM 625 N ILE A 44 -10.253 -9.310 -7.026 1.00 62.34 N ATOM 626 CA ILE A 44 -10.464 -10.579 -6.436 1.00 43.22 C ATOM 627 C ILE A 44 -11.194 -11.504 -7.414 1.00 64.32 C ATOM 628 O ILE A 44 -12.364 -11.300 -7.738 1.00 43.03 O ATOM 629 CB ILE A 44 -11.210 -10.429 -5.075 1.00 32.10 C ATOM 630 CG1 ILE A 44 -12.563 -9.723 -5.255 1.00 44.33 C ATOM 631 CG2 ILE A 44 -10.331 -9.685 -4.062 1.00 75.13 C ATOM 632 CD1 ILE A 44 -13.368 -9.546 -4.003 1.00 13.51 C ATOM 0 H ILE A 44 -11.097 -8.758 -7.176 1.00 62.34 H new ATOM 0 HA ILE A 44 -9.502 -11.043 -6.218 1.00 43.22 H new ATOM 0 HB ILE A 44 -11.411 -11.428 -4.687 1.00 32.10 H new ATOM 0 HG12 ILE A 44 -12.386 -8.741 -5.694 1.00 44.33 H new ATOM 0 HG13 ILE A 44 -13.157 -10.290 -5.971 1.00 44.33 H new ATOM 0 HG21 ILE A 44 -10.866 -9.589 -3.117 1.00 75.13 H new ATOM 0 HG22 ILE A 44 -9.409 -10.243 -3.901 1.00 75.13 H new ATOM 0 HG23 ILE A 44 -10.092 -8.693 -4.447 1.00 75.13 H new ATOM 0 HD11 ILE A 44 -14.303 -9.038 -4.240 1.00 13.51 H new ATOM 0 HD12 ILE A 44 -13.585 -10.522 -3.569 1.00 13.51 H new ATOM 0 HD13 ILE A 44 -12.802 -8.949 -3.288 1.00 13.51 H new ATOM 644 N ASP A 45 -10.485 -12.486 -7.912 1.00 25.24 N ATOM 645 CA ASP A 45 -11.049 -13.403 -8.896 1.00 41.33 C ATOM 646 C ASP A 45 -11.602 -14.645 -8.210 1.00 13.51 C ATOM 647 O ASP A 45 -11.129 -15.044 -7.138 1.00 11.41 O ATOM 648 CB ASP A 45 -10.017 -13.765 -9.981 1.00 11.23 C ATOM 649 CG ASP A 45 -10.604 -14.630 -11.091 1.00 54.22 C ATOM 650 OD1 ASP A 45 -11.838 -14.533 -11.336 1.00 42.12 O ATOM 651 OD2 ASP A 45 -9.852 -15.375 -11.718 1.00 21.45 O ATOM 0 H ASP A 45 -9.516 -12.679 -7.658 1.00 25.24 H new ATOM 0 HA ASP A 45 -11.876 -12.900 -9.398 1.00 41.33 H new ATOM 0 HB2 ASP A 45 -9.616 -12.849 -10.414 1.00 11.23 H new ATOM 0 HB3 ASP A 45 -9.182 -14.292 -9.520 1.00 11.23 H new ATOM 656 N ILE A 46 -12.548 -15.276 -8.839 1.00 51.11 N ATOM 657 CA ILE A 46 -13.299 -16.384 -8.261 1.00 24.14 C ATOM 658 C ILE A 46 -12.567 -17.705 -8.561 1.00 62.21 C ATOM 659 O ILE A 46 -13.186 -18.735 -8.828 1.00 2.42 O ATOM 660 CB ILE A 46 -14.734 -16.428 -8.874 1.00 33.25 C ATOM 661 CG1 ILE A 46 -15.314 -15.011 -8.963 1.00 14.53 C ATOM 662 CG2 ILE A 46 -15.664 -17.297 -8.002 1.00 4.51 C ATOM 663 CD1 ILE A 46 -16.627 -14.941 -9.705 1.00 21.43 C ATOM 0 H ILE A 46 -12.836 -15.041 -9.789 1.00 51.11 H new ATOM 0 HA ILE A 46 -13.377 -16.246 -7.183 1.00 24.14 H new ATOM 0 HB ILE A 46 -14.666 -16.860 -9.873 1.00 33.25 H new ATOM 0 HG12 ILE A 46 -15.455 -14.621 -7.955 1.00 14.53 H new ATOM 0 HG13 ILE A 46 -14.591 -14.362 -9.458 1.00 14.53 H new ATOM 0 HG21 ILE A 46 -16.661 -17.318 -8.442 1.00 4.51 H new ATOM 0 HG22 ILE A 46 -15.269 -18.312 -7.949 1.00 4.51 H new ATOM 0 HG23 ILE A 46 -15.720 -16.876 -6.998 1.00 4.51 H new ATOM 0 HD11 ILE A 46 -16.977 -13.909 -9.728 1.00 21.43 H new ATOM 0 HD12 ILE A 46 -16.488 -15.300 -10.725 1.00 21.43 H new ATOM 0 HD13 ILE A 46 -17.365 -15.563 -9.198 1.00 21.43 H new ATOM 675 N ASP A 47 -11.250 -17.657 -8.476 1.00 14.21 N ATOM 676 CA ASP A 47 -10.403 -18.835 -8.731 1.00 4.04 C ATOM 677 C ASP A 47 -10.720 -19.936 -7.716 1.00 64.23 C ATOM 678 O ASP A 47 -11.318 -20.972 -8.050 1.00 74.01 O ATOM 679 CB ASP A 47 -8.911 -18.454 -8.683 1.00 11.13 C ATOM 680 CG ASP A 47 -7.976 -19.655 -8.782 1.00 4.33 C ATOM 681 OD1 ASP A 47 -7.672 -20.096 -9.902 1.00 75.22 O ATOM 682 OD2 ASP A 47 -7.532 -20.142 -7.721 1.00 3.42 O ATOM 0 H ASP A 47 -10.730 -16.814 -8.231 1.00 14.21 H new ATOM 0 HA ASP A 47 -10.618 -19.213 -9.731 1.00 4.04 H new ATOM 0 HB2 ASP A 47 -8.693 -17.765 -9.499 1.00 11.13 H new ATOM 0 HB3 ASP A 47 -8.709 -17.921 -7.754 1.00 11.13 H new ATOM 687 N PHE A 48 -10.366 -19.702 -6.476 1.00 41.25 N ATOM 688 CA PHE A 48 -10.731 -20.618 -5.440 1.00 4.40 C ATOM 689 C PHE A 48 -12.131 -20.292 -4.978 1.00 42.03 C ATOM 690 O PHE A 48 -12.335 -19.337 -4.213 1.00 74.33 O ATOM 691 CB PHE A 48 -9.770 -20.551 -4.238 1.00 21.14 C ATOM 692 CG PHE A 48 -8.342 -20.906 -4.542 1.00 61.01 C ATOM 693 CD1 PHE A 48 -7.988 -22.213 -4.840 1.00 31.21 C ATOM 694 CD2 PHE A 48 -7.350 -19.938 -4.508 1.00 43.34 C ATOM 695 CE1 PHE A 48 -6.673 -22.548 -5.103 1.00 13.24 C ATOM 696 CE2 PHE A 48 -6.033 -20.265 -4.772 1.00 24.43 C ATOM 697 CZ PHE A 48 -5.695 -21.573 -5.069 1.00 42.15 C ATOM 0 H PHE A 48 -9.830 -18.891 -6.168 1.00 41.25 H new ATOM 0 HA PHE A 48 -10.677 -21.628 -5.846 1.00 4.40 H new ATOM 0 HB2 PHE A 48 -9.797 -19.542 -3.827 1.00 21.14 H new ATOM 0 HB3 PHE A 48 -10.137 -21.222 -3.461 1.00 21.14 H new ATOM 0 HD1 PHE A 48 -8.749 -22.979 -4.867 1.00 31.21 H new ATOM 0 HD2 PHE A 48 -7.609 -18.916 -4.272 1.00 43.34 H new ATOM 0 HE1 PHE A 48 -6.411 -23.570 -5.335 1.00 13.24 H new ATOM 0 HE2 PHE A 48 -5.270 -19.501 -4.746 1.00 24.43 H new ATOM 0 HZ PHE A 48 -4.667 -21.832 -5.274 1.00 42.15 H new ATOM 707 N THR A 49 -13.096 -21.027 -5.465 1.00 13.35 N ATOM 708 CA THR A 49 -14.438 -20.823 -5.026 1.00 0.12 C ATOM 709 C THR A 49 -14.585 -21.389 -3.608 1.00 22.21 C ATOM 710 O THR A 49 -14.050 -22.465 -3.286 1.00 1.20 O ATOM 711 CB THR A 49 -15.508 -21.374 -6.022 1.00 22.03 C ATOM 712 OG1 THR A 49 -16.818 -20.970 -5.607 1.00 54.32 O ATOM 713 CG2 THR A 49 -15.453 -22.897 -6.142 1.00 44.03 C ATOM 0 H THR A 49 -12.973 -21.764 -6.159 1.00 13.35 H new ATOM 0 HA THR A 49 -14.636 -19.751 -5.000 1.00 0.12 H new ATOM 0 HB THR A 49 -15.284 -20.956 -7.003 1.00 22.03 H new ATOM 0 HG1 THR A 49 -16.762 -20.113 -5.136 1.00 54.32 H new ATOM 0 HG21 THR A 49 -16.215 -23.234 -6.845 1.00 44.03 H new ATOM 0 HG22 THR A 49 -14.469 -23.198 -6.501 1.00 44.03 H new ATOM 0 HG23 THR A 49 -15.636 -23.346 -5.166 1.00 44.03 H new ATOM 721 N GLY A 50 -15.218 -20.624 -2.760 1.00 54.30 N ATOM 722 CA GLY A 50 -15.289 -20.930 -1.358 1.00 25.33 C ATOM 723 C GLY A 50 -14.234 -20.118 -0.635 1.00 12.24 C ATOM 724 O GLY A 50 -14.232 -19.995 0.587 1.00 24.11 O ATOM 0 H GLY A 50 -15.702 -19.766 -3.025 1.00 54.30 H new ATOM 0 HA2 GLY A 50 -16.280 -20.696 -0.969 1.00 25.33 H new ATOM 0 HA3 GLY A 50 -15.126 -21.995 -1.194 1.00 25.33 H new ATOM 728 N GLY A 51 -13.327 -19.571 -1.426 1.00 74.44 N ATOM 729 CA GLY A 51 -12.263 -18.756 -0.937 1.00 34.31 C ATOM 730 C GLY A 51 -12.436 -17.324 -1.330 1.00 74.52 C ATOM 731 O GLY A 51 -11.816 -16.427 -0.752 1.00 44.41 O ATOM 0 H GLY A 51 -13.322 -19.691 -2.439 1.00 74.44 H new ATOM 0 HA2 GLY A 51 -12.217 -18.832 0.149 1.00 34.31 H new ATOM 0 HA3 GLY A 51 -11.314 -19.127 -1.323 1.00 34.31 H new ATOM 735 N GLU A 52 -13.300 -17.104 -2.292 1.00 73.34 N ATOM 736 CA GLU A 52 -13.537 -15.794 -2.839 1.00 21.14 C ATOM 737 C GLU A 52 -14.239 -14.930 -1.801 1.00 45.30 C ATOM 738 O GLU A 52 -14.110 -13.699 -1.800 1.00 32.44 O ATOM 739 CB GLU A 52 -14.356 -15.855 -4.157 1.00 61.44 C ATOM 740 CG GLU A 52 -15.822 -16.268 -4.008 1.00 64.51 C ATOM 741 CD GLU A 52 -16.028 -17.673 -3.530 1.00 41.02 C ATOM 742 OE1 GLU A 52 -15.928 -17.900 -2.324 1.00 54.13 O ATOM 743 OE2 GLU A 52 -16.256 -18.563 -4.348 1.00 20.42 O ATOM 0 H GLU A 52 -13.863 -17.839 -2.720 1.00 73.34 H new ATOM 0 HA GLU A 52 -12.574 -15.348 -3.088 1.00 21.14 H new ATOM 0 HB2 GLU A 52 -14.320 -14.874 -4.631 1.00 61.44 H new ATOM 0 HB3 GLU A 52 -13.867 -16.555 -4.835 1.00 61.44 H new ATOM 0 HG2 GLU A 52 -16.309 -15.586 -3.311 1.00 64.51 H new ATOM 0 HG3 GLU A 52 -16.319 -16.149 -4.971 1.00 64.51 H new ATOM 750 N ASP A 53 -14.985 -15.595 -0.941 1.00 30.42 N ATOM 751 CA ASP A 53 -15.656 -14.971 0.175 1.00 34.13 C ATOM 752 C ASP A 53 -14.651 -14.334 1.109 1.00 32.22 C ATOM 753 O ASP A 53 -14.590 -13.104 1.243 1.00 65.14 O ATOM 754 CB ASP A 53 -16.490 -16.006 0.942 1.00 3.02 C ATOM 755 CG ASP A 53 -17.211 -15.394 2.123 1.00 21.24 C ATOM 756 OD1 ASP A 53 -18.244 -14.707 1.894 1.00 74.44 O ATOM 757 OD2 ASP A 53 -16.752 -15.560 3.246 1.00 42.31 O ATOM 0 H ASP A 53 -15.143 -16.601 -1.002 1.00 30.42 H new ATOM 0 HA ASP A 53 -16.317 -14.197 -0.214 1.00 34.13 H new ATOM 0 HB2 ASP A 53 -17.218 -16.456 0.267 1.00 3.02 H new ATOM 0 HB3 ASP A 53 -15.840 -16.808 1.291 1.00 3.02 H new ATOM 762 N ALA A 54 -13.808 -15.167 1.675 1.00 51.11 N ATOM 763 CA ALA A 54 -12.837 -14.739 2.649 1.00 52.35 C ATOM 764 C ALA A 54 -11.774 -13.823 2.065 1.00 31.24 C ATOM 765 O ALA A 54 -11.244 -12.977 2.782 1.00 42.04 O ATOM 766 CB ALA A 54 -12.204 -15.924 3.340 1.00 40.42 C ATOM 0 H ALA A 54 -13.779 -16.166 1.470 1.00 51.11 H new ATOM 0 HA ALA A 54 -13.382 -14.152 3.388 1.00 52.35 H new ATOM 0 HB1 ALA A 54 -11.475 -15.573 4.070 1.00 40.42 H new ATOM 0 HB2 ALA A 54 -12.975 -16.504 3.847 1.00 40.42 H new ATOM 0 HB3 ALA A 54 -11.705 -16.552 2.602 1.00 40.42 H new ATOM 772 N GLN A 55 -11.455 -13.970 0.767 1.00 24.34 N ATOM 773 CA GLN A 55 -10.446 -13.095 0.167 1.00 74.44 C ATOM 774 C GLN A 55 -10.962 -11.659 0.161 1.00 14.11 C ATOM 775 O GLN A 55 -10.203 -10.721 0.336 1.00 44.21 O ATOM 776 CB GLN A 55 -10.009 -13.540 -1.253 1.00 2.33 C ATOM 777 CG GLN A 55 -10.997 -13.238 -2.370 1.00 4.41 C ATOM 778 CD GLN A 55 -10.526 -13.722 -3.729 1.00 64.43 C ATOM 779 OE1 GLN A 55 -9.341 -13.805 -4.000 1.00 40.21 O ATOM 780 NE2 GLN A 55 -11.453 -14.002 -4.601 1.00 62.24 N ATOM 0 H GLN A 55 -11.866 -14.660 0.138 1.00 24.34 H new ATOM 0 HA GLN A 55 -9.548 -13.163 0.781 1.00 74.44 H new ATOM 0 HB2 GLN A 55 -9.061 -13.057 -1.490 1.00 2.33 H new ATOM 0 HB3 GLN A 55 -9.824 -14.614 -1.237 1.00 2.33 H new ATOM 0 HG2 GLN A 55 -11.954 -13.705 -2.136 1.00 4.41 H new ATOM 0 HG3 GLN A 55 -11.169 -12.163 -2.414 1.00 4.41 H new ATOM 0 HE21 GLN A 55 -12.437 -13.923 -4.343 1.00 62.24 H new ATOM 0 HE22 GLN A 55 -11.195 -14.301 -5.542 1.00 62.24 H new ATOM 789 N TYR A 56 -12.275 -11.505 0.005 1.00 12.21 N ATOM 790 CA TYR A 56 -12.875 -10.202 0.080 1.00 40.12 C ATOM 791 C TYR A 56 -12.970 -9.801 1.495 1.00 30.43 C ATOM 792 O TYR A 56 -12.514 -8.747 1.864 1.00 22.02 O ATOM 793 CB TYR A 56 -14.296 -10.174 -0.493 1.00 23.42 C ATOM 794 CG TYR A 56 -15.032 -8.817 -0.330 1.00 73.24 C ATOM 795 CD1 TYR A 56 -15.554 -8.369 0.917 1.00 34.32 C ATOM 796 CD2 TYR A 56 -15.265 -8.022 -1.426 1.00 30.22 C ATOM 797 CE1 TYR A 56 -16.255 -7.203 1.004 1.00 30.14 C ATOM 798 CE2 TYR A 56 -15.954 -6.840 -1.312 1.00 12.14 C ATOM 799 CZ TYR A 56 -16.447 -6.444 -0.096 1.00 33.45 C ATOM 800 OH TYR A 56 -17.164 -5.290 0.010 1.00 64.03 O ATOM 0 H TYR A 56 -12.928 -12.268 -0.172 1.00 12.21 H new ATOM 0 HA TYR A 56 -12.248 -9.528 -0.503 1.00 40.12 H new ATOM 0 HB2 TYR A 56 -14.251 -10.423 -1.553 1.00 23.42 H new ATOM 0 HB3 TYR A 56 -14.885 -10.952 -0.008 1.00 23.42 H new ATOM 0 HD1 TYR A 56 -15.392 -8.961 1.806 1.00 34.32 H new ATOM 0 HD2 TYR A 56 -14.900 -8.332 -2.394 1.00 30.22 H new ATOM 0 HE1 TYR A 56 -16.658 -6.886 1.955 1.00 30.14 H new ATOM 0 HE2 TYR A 56 -16.108 -6.220 -2.183 1.00 12.14 H new ATOM 0 HH TYR A 56 -17.066 -4.926 0.915 1.00 64.03 H new ATOM 810 N ASP A 57 -13.603 -10.636 2.281 1.00 11.03 N ATOM 811 CA ASP A 57 -13.927 -10.295 3.637 1.00 11.34 C ATOM 812 C ASP A 57 -12.759 -10.007 4.540 1.00 35.55 C ATOM 813 O ASP A 57 -12.900 -9.256 5.480 1.00 30.05 O ATOM 814 CB ASP A 57 -15.039 -11.148 4.240 1.00 45.32 C ATOM 815 CG ASP A 57 -16.420 -10.576 3.885 1.00 11.34 C ATOM 816 OD1 ASP A 57 -16.881 -10.646 2.698 1.00 24.05 O ATOM 817 OD2 ASP A 57 -17.058 -9.971 4.761 1.00 45.45 O ATOM 0 H ASP A 57 -13.906 -11.568 1.997 1.00 11.03 H new ATOM 0 HA ASP A 57 -14.374 -9.305 3.554 1.00 11.34 H new ATOM 0 HB2 ASP A 57 -14.959 -12.171 3.872 1.00 45.32 H new ATOM 0 HB3 ASP A 57 -14.925 -11.189 5.323 1.00 45.32 H new ATOM 822 N ALA A 58 -11.592 -10.537 4.216 1.00 11.40 N ATOM 823 CA ALA A 58 -10.374 -10.169 4.932 1.00 30.20 C ATOM 824 C ALA A 58 -9.993 -8.721 4.572 1.00 2.44 C ATOM 825 O ALA A 58 -9.563 -7.941 5.419 1.00 32.42 O ATOM 826 CB ALA A 58 -9.238 -11.119 4.585 1.00 44.01 C ATOM 0 H ALA A 58 -11.458 -11.218 3.469 1.00 11.40 H new ATOM 0 HA ALA A 58 -10.554 -10.241 6.005 1.00 30.20 H new ATOM 0 HB1 ALA A 58 -8.340 -10.827 5.129 1.00 44.01 H new ATOM 0 HB2 ALA A 58 -9.516 -12.136 4.863 1.00 44.01 H new ATOM 0 HB3 ALA A 58 -9.043 -11.077 3.513 1.00 44.01 H new ATOM 832 N ILE A 59 -10.201 -8.371 3.311 1.00 63.43 N ATOM 833 CA ILE A 59 -9.941 -7.028 2.805 1.00 20.42 C ATOM 834 C ILE A 59 -11.000 -6.064 3.348 1.00 71.44 C ATOM 835 O ILE A 59 -10.697 -4.942 3.736 1.00 42.31 O ATOM 836 CB ILE A 59 -9.958 -7.000 1.243 1.00 60.45 C ATOM 837 CG1 ILE A 59 -8.809 -7.845 0.670 1.00 43.12 C ATOM 838 CG2 ILE A 59 -9.899 -5.572 0.708 1.00 31.25 C ATOM 839 CD1 ILE A 59 -8.791 -7.918 -0.849 1.00 22.11 C ATOM 0 H ILE A 59 -10.557 -9.014 2.604 1.00 63.43 H new ATOM 0 HA ILE A 59 -8.951 -6.720 3.141 1.00 20.42 H new ATOM 0 HB ILE A 59 -10.902 -7.436 0.916 1.00 60.45 H new ATOM 0 HG12 ILE A 59 -7.861 -7.432 1.015 1.00 43.12 H new ATOM 0 HG13 ILE A 59 -8.880 -8.856 1.071 1.00 43.12 H new ATOM 0 HG21 ILE A 59 -9.913 -5.591 -0.382 1.00 31.25 H new ATOM 0 HG22 ILE A 59 -10.760 -5.011 1.072 1.00 31.25 H new ATOM 0 HG23 ILE A 59 -8.982 -5.092 1.051 1.00 31.25 H new ATOM 0 HD11 ILE A 59 -7.951 -8.532 -1.174 1.00 22.11 H new ATOM 0 HD12 ILE A 59 -9.722 -8.360 -1.203 1.00 22.11 H new ATOM 0 HD13 ILE A 59 -8.687 -6.914 -1.260 1.00 22.11 H new ATOM 851 N TYR A 60 -12.236 -6.527 3.385 1.00 40.23 N ATOM 852 CA TYR A 60 -13.343 -5.749 3.901 1.00 44.20 C ATOM 853 C TYR A 60 -13.129 -5.486 5.354 1.00 50.53 C ATOM 854 O TYR A 60 -13.318 -4.367 5.833 1.00 32.40 O ATOM 855 CB TYR A 60 -14.646 -6.476 3.711 1.00 62.12 C ATOM 856 CG TYR A 60 -15.841 -5.722 4.235 1.00 70.01 C ATOM 857 CD1 TYR A 60 -16.376 -4.643 3.536 1.00 4.32 C ATOM 858 CD2 TYR A 60 -16.437 -6.094 5.430 1.00 23.00 C ATOM 859 CE1 TYR A 60 -17.469 -3.959 4.027 1.00 44.34 C ATOM 860 CE2 TYR A 60 -17.521 -5.418 5.923 1.00 33.43 C ATOM 861 CZ TYR A 60 -18.032 -4.356 5.224 1.00 13.11 C ATOM 862 OH TYR A 60 -19.097 -3.678 5.724 1.00 75.21 O ATOM 0 H TYR A 60 -12.499 -7.456 3.057 1.00 40.23 H new ATOM 0 HA TYR A 60 -13.389 -4.808 3.353 1.00 44.20 H new ATOM 0 HB2 TYR A 60 -14.790 -6.675 2.649 1.00 62.12 H new ATOM 0 HB3 TYR A 60 -14.589 -7.443 4.211 1.00 62.12 H new ATOM 0 HD1 TYR A 60 -15.931 -4.339 2.600 1.00 4.32 H new ATOM 0 HD2 TYR A 60 -16.039 -6.932 5.982 1.00 23.00 H new ATOM 0 HE1 TYR A 60 -17.880 -3.122 3.481 1.00 44.34 H new ATOM 0 HE2 TYR A 60 -17.971 -5.720 6.857 1.00 33.43 H new ATOM 0 HH TYR A 60 -18.826 -3.193 6.532 1.00 75.21 H new ATOM 872 N ASN A 61 -12.758 -6.532 6.043 1.00 53.52 N ATOM 873 CA ASN A 61 -12.379 -6.439 7.483 1.00 24.41 C ATOM 874 C ASN A 61 -11.307 -5.328 7.682 1.00 33.21 C ATOM 875 O ASN A 61 -11.277 -4.668 8.712 1.00 20.13 O ATOM 876 CB ASN A 61 -11.829 -7.798 7.994 1.00 42.41 C ATOM 877 CG ASN A 61 -11.696 -7.948 9.536 1.00 51.54 C ATOM 878 OD1 ASN A 61 -11.807 -9.048 10.055 1.00 22.25 O ATOM 879 ND2 ASN A 61 -11.462 -6.880 10.267 1.00 24.42 N ATOM 0 H ASN A 61 -12.701 -7.474 5.656 1.00 53.52 H new ATOM 0 HA ASN A 61 -13.270 -6.186 8.057 1.00 24.41 H new ATOM 0 HB2 ASN A 61 -12.481 -8.591 7.627 1.00 42.41 H new ATOM 0 HB3 ASN A 61 -10.848 -7.960 7.548 1.00 42.41 H new ATOM 0 HD21 ASN A 61 -11.371 -6.965 11.279 1.00 24.42 H new ATOM 0 HD22 ASN A 61 -11.371 -5.967 9.822 1.00 24.42 H new ATOM 886 N ASN A 62 -10.448 -5.142 6.691 1.00 22.41 N ATOM 887 CA ASN A 62 -9.422 -4.095 6.734 1.00 33.42 C ATOM 888 C ASN A 62 -10.034 -2.699 6.504 1.00 53.44 C ATOM 889 O ASN A 62 -9.738 -1.771 7.246 1.00 60.15 O ATOM 890 CB ASN A 62 -8.305 -4.385 5.705 1.00 43.21 C ATOM 891 CG ASN A 62 -7.193 -3.323 5.635 1.00 11.50 C ATOM 892 OD1 ASN A 62 -6.601 -3.110 4.582 1.00 32.51 O ATOM 893 ND2 ASN A 62 -6.891 -2.670 6.738 1.00 22.02 N ATOM 0 H ASN A 62 -10.437 -5.703 5.839 1.00 22.41 H new ATOM 0 HA ASN A 62 -8.980 -4.100 7.730 1.00 33.42 H new ATOM 0 HB2 ASN A 62 -7.853 -5.348 5.944 1.00 43.21 H new ATOM 0 HB3 ASN A 62 -8.757 -4.481 4.718 1.00 43.21 H new ATOM 0 HD21 ASN A 62 -6.150 -1.969 6.729 1.00 22.02 H new ATOM 0 HD22 ASN A 62 -7.398 -2.865 7.601 1.00 22.02 H new ATOM 900 N VAL A 63 -10.880 -2.566 5.481 1.00 50.12 N ATOM 901 CA VAL A 63 -11.529 -1.273 5.180 1.00 2.45 C ATOM 902 C VAL A 63 -12.520 -0.816 6.255 1.00 14.52 C ATOM 903 O VAL A 63 -12.481 0.335 6.701 1.00 73.21 O ATOM 904 CB VAL A 63 -12.161 -1.172 3.705 1.00 61.40 C ATOM 905 CG1 VAL A 63 -12.630 -2.486 3.186 1.00 20.43 C ATOM 906 CG2 VAL A 63 -13.333 -0.193 3.639 1.00 1.32 C ATOM 0 H VAL A 63 -11.135 -3.325 4.848 1.00 50.12 H new ATOM 0 HA VAL A 63 -10.701 -0.565 5.196 1.00 2.45 H new ATOM 0 HB VAL A 63 -11.344 -0.810 3.081 1.00 61.40 H new ATOM 0 HG11 VAL A 63 -13.047 -2.355 2.187 1.00 20.43 H new ATOM 0 HG12 VAL A 63 -11.791 -3.180 3.141 1.00 20.43 H new ATOM 0 HG13 VAL A 63 -13.397 -2.886 3.849 1.00 20.43 H new ATOM 0 HG21 VAL A 63 -13.724 -0.162 2.622 1.00 1.32 H new ATOM 0 HG22 VAL A 63 -14.119 -0.520 4.320 1.00 1.32 H new ATOM 0 HG23 VAL A 63 -12.993 0.802 3.928 1.00 1.32 H new ATOM 916 N THR A 64 -13.384 -1.687 6.675 1.00 11.03 N ATOM 917 CA THR A 64 -14.399 -1.279 7.591 1.00 15.01 C ATOM 918 C THR A 64 -14.012 -1.425 9.051 1.00 53.43 C ATOM 919 O THR A 64 -13.669 -2.504 9.516 1.00 21.12 O ATOM 920 CB THR A 64 -15.741 -1.952 7.301 1.00 4.23 C ATOM 921 OG1 THR A 64 -15.570 -3.368 7.231 1.00 13.00 O ATOM 922 CG2 THR A 64 -16.315 -1.436 5.996 1.00 55.02 C ATOM 0 H THR A 64 -13.407 -2.670 6.403 1.00 11.03 H new ATOM 0 HA THR A 64 -14.515 -0.209 7.421 1.00 15.01 H new ATOM 0 HB THR A 64 -16.434 -1.715 8.108 1.00 4.23 H new ATOM 0 HG1 THR A 64 -16.302 -3.761 6.711 1.00 13.00 H new ATOM 0 HG21 THR A 64 -17.270 -1.923 5.801 1.00 55.02 H new ATOM 0 HG22 THR A 64 -16.464 -0.358 6.065 1.00 55.02 H new ATOM 0 HG23 THR A 64 -15.623 -1.655 5.182 1.00 55.02 H new ATOM 930 N LYS A 65 -14.135 -0.331 9.774 1.00 64.23 N ATOM 931 CA LYS A 65 -13.850 -0.274 11.218 1.00 45.52 C ATOM 932 C LYS A 65 -15.070 -0.776 12.029 1.00 5.50 C ATOM 933 O LYS A 65 -15.300 -0.344 13.151 1.00 5.14 O ATOM 934 CB LYS A 65 -13.466 1.183 11.680 1.00 75.12 C ATOM 935 CG LYS A 65 -14.546 2.264 11.451 1.00 62.24 C ATOM 936 CD LYS A 65 -14.530 2.807 10.031 1.00 0.04 C ATOM 937 CE LYS A 65 -15.890 3.324 9.611 1.00 35.42 C ATOM 938 NZ LYS A 65 -16.340 4.534 10.310 1.00 61.03 N ATOM 0 H LYS A 65 -14.438 0.561 9.384 1.00 64.23 H new ATOM 0 HA LYS A 65 -12.996 -0.924 11.407 1.00 45.52 H new ATOM 0 HB2 LYS A 65 -13.225 1.156 12.743 1.00 75.12 H new ATOM 0 HB3 LYS A 65 -12.560 1.484 11.155 1.00 75.12 H new ATOM 0 HG2 LYS A 65 -15.528 1.843 11.665 1.00 62.24 H new ATOM 0 HG3 LYS A 65 -14.390 3.084 12.152 1.00 62.24 H new ATOM 0 HD2 LYS A 65 -13.797 3.611 9.957 1.00 0.04 H new ATOM 0 HD3 LYS A 65 -14.212 2.022 9.345 1.00 0.04 H new ATOM 0 HE2 LYS A 65 -15.869 3.528 8.541 1.00 35.42 H new ATOM 0 HE3 LYS A 65 -16.626 2.536 9.771 1.00 35.42 H new ATOM 0 HZ1 LYS A 65 -17.373 4.622 10.223 1.00 61.03 H new ATOM 0 HZ2 LYS A 65 -16.082 4.471 11.315 1.00 61.03 H new ATOM 0 HZ3 LYS A 65 -15.885 5.368 9.888 1.00 61.03 H new ATOM 952 N GLY A 66 -15.803 -1.719 11.466 1.00 42.55 N ATOM 953 CA GLY A 66 -16.996 -2.228 12.117 1.00 73.24 C ATOM 954 C GLY A 66 -18.254 -1.560 11.600 1.00 72.32 C ATOM 955 O GLY A 66 -19.240 -1.441 12.310 1.00 75.31 O ATOM 0 H GLY A 66 -15.595 -2.146 10.564 1.00 42.55 H new ATOM 0 HA2 GLY A 66 -17.065 -3.304 11.957 1.00 73.24 H new ATOM 0 HA3 GLY A 66 -16.917 -2.070 13.193 1.00 73.24 H new ATOM 959 N GLU A 67 -18.214 -1.135 10.360 1.00 43.30 N ATOM 960 CA GLU A 67 -19.332 -0.464 9.737 1.00 14.34 C ATOM 961 C GLU A 67 -19.735 -1.303 8.521 1.00 32.32 C ATOM 962 O GLU A 67 -18.908 -2.074 8.011 1.00 34.24 O ATOM 963 CB GLU A 67 -18.890 0.956 9.333 1.00 24.55 C ATOM 964 CG GLU A 67 -20.009 1.932 8.977 1.00 42.31 C ATOM 965 CD GLU A 67 -19.464 3.316 8.660 1.00 32.25 C ATOM 966 OE1 GLU A 67 -18.842 3.939 9.554 1.00 63.12 O ATOM 967 OE2 GLU A 67 -19.593 3.770 7.509 1.00 23.10 O ATOM 0 H GLU A 67 -17.403 -1.245 9.752 1.00 43.30 H new ATOM 0 HA GLU A 67 -20.186 -0.367 10.407 1.00 14.34 H new ATOM 0 HB2 GLU A 67 -18.312 1.382 10.153 1.00 24.55 H new ATOM 0 HB3 GLU A 67 -18.219 0.876 8.478 1.00 24.55 H new ATOM 0 HG2 GLU A 67 -20.564 1.553 8.119 1.00 42.31 H new ATOM 0 HG3 GLU A 67 -20.712 1.999 9.807 1.00 42.31 H new ATOM 974 N ASN A 68 -20.969 -1.205 8.081 1.00 63.43 N ATOM 975 CA ASN A 68 -21.410 -1.998 6.936 1.00 63.10 C ATOM 976 C ASN A 68 -21.388 -1.178 5.680 1.00 23.12 C ATOM 977 O ASN A 68 -22.236 -0.296 5.488 1.00 45.24 O ATOM 978 CB ASN A 68 -22.815 -2.606 7.128 1.00 23.50 C ATOM 979 CG ASN A 68 -23.269 -3.442 5.906 1.00 31.14 C ATOM 980 OD1 ASN A 68 -23.012 -4.644 5.836 1.00 23.22 O ATOM 981 ND2 ASN A 68 -23.938 -2.807 4.954 1.00 12.00 N ATOM 0 H ASN A 68 -21.681 -0.597 8.485 1.00 63.43 H new ATOM 0 HA ASN A 68 -20.704 -2.824 6.852 1.00 63.10 H new ATOM 0 HB2 ASN A 68 -22.816 -3.237 8.017 1.00 23.50 H new ATOM 0 HB3 ASN A 68 -23.533 -1.805 7.304 1.00 23.50 H new ATOM 0 HD21 ASN A 68 -24.258 -3.315 4.130 1.00 12.00 H new ATOM 0 HD22 ASN A 68 -24.133 -1.810 5.046 1.00 12.00 H new ATOM 988 N GLY A 69 -20.423 -1.438 4.850 1.00 4.12 N ATOM 989 CA GLY A 69 -20.367 -0.794 3.615 1.00 42.22 C ATOM 990 C GLY A 69 -19.238 0.144 3.574 1.00 23.03 C ATOM 991 O GLY A 69 -18.699 0.550 4.607 1.00 74.01 O ATOM 0 H GLY A 69 -19.668 -2.100 5.027 1.00 4.12 H new ATOM 0 HA2 GLY A 69 -20.264 -1.531 2.818 1.00 42.22 H new ATOM 0 HA3 GLY A 69 -21.299 -0.258 3.435 1.00 42.22 H new ATOM 995 N VAL A 70 -18.860 0.488 2.421 1.00 11.23 N ATOM 996 CA VAL A 70 -17.781 1.360 2.247 1.00 65.54 C ATOM 997 C VAL A 70 -18.324 2.742 1.978 1.00 43.41 C ATOM 998 O VAL A 70 -18.791 3.080 0.894 1.00 62.45 O ATOM 999 CB VAL A 70 -16.820 0.859 1.156 1.00 1.02 C ATOM 1000 CG1 VAL A 70 -16.142 -0.407 1.624 1.00 53.11 C ATOM 1001 CG2 VAL A 70 -17.584 0.561 -0.078 1.00 32.30 C ATOM 0 H VAL A 70 -19.295 0.170 1.555 1.00 11.23 H new ATOM 0 HA VAL A 70 -17.179 1.400 3.155 1.00 65.54 H new ATOM 0 HB VAL A 70 -16.074 1.628 0.955 1.00 1.02 H new ATOM 0 HG11 VAL A 70 -15.461 -0.762 0.851 1.00 53.11 H new ATOM 0 HG12 VAL A 70 -15.581 -0.203 2.536 1.00 53.11 H new ATOM 0 HG13 VAL A 70 -16.894 -1.170 1.823 1.00 53.11 H new ATOM 0 HG21 VAL A 70 -16.903 0.206 -0.851 1.00 32.30 H new ATOM 0 HG22 VAL A 70 -18.328 -0.208 0.131 1.00 32.30 H new ATOM 0 HG23 VAL A 70 -18.085 1.466 -0.423 1.00 32.30 H new ATOM 1011 N SER A 71 -18.338 3.498 2.990 1.00 22.31 N ATOM 1012 CA SER A 71 -18.879 4.792 2.947 1.00 71.11 C ATOM 1013 C SER A 71 -17.794 5.805 2.641 1.00 21.22 C ATOM 1014 O SER A 71 -16.654 5.421 2.420 1.00 24.25 O ATOM 1015 CB SER A 71 -19.521 5.018 4.284 1.00 41.20 C ATOM 1016 OG SER A 71 -18.581 4.815 5.330 1.00 0.54 O ATOM 0 H SER A 71 -17.964 3.232 3.901 1.00 22.31 H new ATOM 0 HA SER A 71 -19.620 4.905 2.155 1.00 71.11 H new ATOM 0 HB2 SER A 71 -19.918 6.032 4.336 1.00 41.20 H new ATOM 0 HB3 SER A 71 -20.364 4.338 4.408 1.00 41.20 H new ATOM 0 HG SER A 71 -19.056 4.703 6.180 1.00 0.54 H new ATOM 1022 N PHE A 72 -18.144 7.086 2.627 1.00 44.34 N ATOM 1023 CA PHE A 72 -17.182 8.174 2.386 1.00 35.43 C ATOM 1024 C PHE A 72 -15.964 8.085 3.324 1.00 74.12 C ATOM 1025 O PHE A 72 -14.883 8.518 2.982 1.00 3.31 O ATOM 1026 CB PHE A 72 -17.877 9.554 2.489 1.00 74.53 C ATOM 1027 CG PHE A 72 -18.618 9.802 3.787 1.00 54.33 C ATOM 1028 CD1 PHE A 72 -19.947 9.422 3.925 1.00 13.44 C ATOM 1029 CD2 PHE A 72 -17.989 10.417 4.860 1.00 12.31 C ATOM 1030 CE1 PHE A 72 -20.630 9.650 5.104 1.00 30.51 C ATOM 1031 CE2 PHE A 72 -18.667 10.645 6.042 1.00 51.25 C ATOM 1032 CZ PHE A 72 -19.989 10.261 6.164 1.00 51.31 C ATOM 0 H PHE A 72 -19.100 7.407 2.781 1.00 44.34 H new ATOM 0 HA PHE A 72 -16.805 8.060 1.370 1.00 35.43 H new ATOM 0 HB2 PHE A 72 -17.125 10.333 2.363 1.00 74.53 H new ATOM 0 HB3 PHE A 72 -18.580 9.653 1.662 1.00 74.53 H new ATOM 0 HD1 PHE A 72 -20.453 8.942 3.100 1.00 13.44 H new ATOM 0 HD2 PHE A 72 -16.957 10.721 4.770 1.00 12.31 H new ATOM 0 HE1 PHE A 72 -21.664 9.351 5.197 1.00 30.51 H new ATOM 0 HE2 PHE A 72 -18.164 11.123 6.870 1.00 51.25 H new ATOM 0 HZ PHE A 72 -20.520 10.439 7.087 1.00 51.31 H new ATOM 1042 N ASP A 73 -16.170 7.515 4.495 1.00 64.35 N ATOM 1043 CA ASP A 73 -15.086 7.279 5.429 1.00 11.01 C ATOM 1044 C ASP A 73 -14.318 6.012 5.025 1.00 33.21 C ATOM 1045 O ASP A 73 -13.211 6.088 4.496 1.00 35.22 O ATOM 1046 CB ASP A 73 -15.636 7.174 6.867 1.00 64.40 C ATOM 1047 CG ASP A 73 -14.574 6.856 7.915 1.00 14.14 C ATOM 1048 OD1 ASP A 73 -13.439 7.315 7.778 1.00 11.32 O ATOM 1049 OD2 ASP A 73 -14.908 6.163 8.905 1.00 53.42 O ATOM 0 H ASP A 73 -17.084 7.205 4.824 1.00 64.35 H new ATOM 0 HA ASP A 73 -14.392 8.119 5.401 1.00 11.01 H new ATOM 0 HB2 ASP A 73 -16.121 8.114 7.129 1.00 64.40 H new ATOM 0 HB3 ASP A 73 -16.404 6.401 6.896 1.00 64.40 H new ATOM 1054 N ASN A 74 -14.979 4.865 5.175 1.00 52.14 N ATOM 1055 CA ASN A 74 -14.381 3.527 4.916 1.00 52.13 C ATOM 1056 C ASN A 74 -13.734 3.411 3.546 1.00 50.42 C ATOM 1057 O ASN A 74 -12.593 2.986 3.428 1.00 0.14 O ATOM 1058 CB ASN A 74 -15.438 2.418 5.008 1.00 41.42 C ATOM 1059 CG ASN A 74 -16.041 2.232 6.367 1.00 12.51 C ATOM 1060 OD1 ASN A 74 -15.546 1.478 7.194 1.00 0.33 O ATOM 1061 ND2 ASN A 74 -17.123 2.894 6.606 1.00 53.25 N ATOM 0 H ASN A 74 -15.951 4.822 5.481 1.00 52.14 H new ATOM 0 HA ASN A 74 -13.616 3.412 5.684 1.00 52.13 H new ATOM 0 HB2 ASN A 74 -16.236 2.638 4.299 1.00 41.42 H new ATOM 0 HB3 ASN A 74 -14.985 1.477 4.696 1.00 41.42 H new ATOM 0 HD21 ASN A 74 -17.592 2.797 7.507 1.00 53.25 H new ATOM 0 HD22 ASN A 74 -17.509 3.514 5.894 1.00 53.25 H new ATOM 1068 N TYR A 75 -14.473 3.791 2.513 1.00 20.51 N ATOM 1069 CA TYR A 75 -14.027 3.622 1.144 1.00 44.23 C ATOM 1070 C TYR A 75 -12.776 4.442 0.919 1.00 55.23 C ATOM 1071 O TYR A 75 -11.720 3.892 0.589 1.00 11.33 O ATOM 1072 CB TYR A 75 -15.135 4.060 0.160 1.00 53.11 C ATOM 1073 CG TYR A 75 -14.900 3.727 -1.311 1.00 3.42 C ATOM 1074 CD1 TYR A 75 -13.889 4.330 -2.035 1.00 32.55 C ATOM 1075 CD2 TYR A 75 -15.711 2.819 -1.970 1.00 44.41 C ATOM 1076 CE1 TYR A 75 -13.688 4.044 -3.362 1.00 3.34 C ATOM 1077 CE2 TYR A 75 -15.521 2.525 -3.305 1.00 25.32 C ATOM 1078 CZ TYR A 75 -14.509 3.140 -3.997 1.00 14.10 C ATOM 1079 OH TYR A 75 -14.316 2.849 -5.328 1.00 45.21 O ATOM 0 H TYR A 75 -15.393 4.222 2.603 1.00 20.51 H new ATOM 0 HA TYR A 75 -13.806 2.569 0.967 1.00 44.23 H new ATOM 0 HB2 TYR A 75 -16.072 3.597 0.471 1.00 53.11 H new ATOM 0 HB3 TYR A 75 -15.267 5.138 0.250 1.00 53.11 H new ATOM 0 HD1 TYR A 75 -13.242 5.043 -1.545 1.00 32.55 H new ATOM 0 HD2 TYR A 75 -16.508 2.331 -1.429 1.00 44.41 H new ATOM 0 HE1 TYR A 75 -12.889 4.526 -3.906 1.00 3.34 H new ATOM 0 HE2 TYR A 75 -16.165 1.815 -3.802 1.00 25.32 H new ATOM 0 HH TYR A 75 -14.981 2.191 -5.619 1.00 45.21 H new ATOM 1089 N VAL A 76 -12.881 5.739 1.164 1.00 52.25 N ATOM 1090 CA VAL A 76 -11.789 6.645 0.901 1.00 35.02 C ATOM 1091 C VAL A 76 -10.570 6.270 1.678 1.00 11.31 C ATOM 1092 O VAL A 76 -9.512 6.154 1.097 1.00 61.02 O ATOM 1093 CB VAL A 76 -12.145 8.116 1.137 1.00 74.42 C ATOM 1094 CG1 VAL A 76 -10.934 8.992 0.901 1.00 51.41 C ATOM 1095 CG2 VAL A 76 -13.252 8.522 0.206 1.00 2.21 C ATOM 0 H VAL A 76 -13.716 6.183 1.546 1.00 52.25 H new ATOM 0 HA VAL A 76 -11.574 6.544 -0.163 1.00 35.02 H new ATOM 0 HB VAL A 76 -12.473 8.239 2.169 1.00 74.42 H new ATOM 0 HG11 VAL A 76 -11.201 10.035 1.072 1.00 51.41 H new ATOM 0 HG12 VAL A 76 -10.137 8.704 1.587 1.00 51.41 H new ATOM 0 HG13 VAL A 76 -10.591 8.869 -0.126 1.00 51.41 H new ATOM 0 HG21 VAL A 76 -13.504 9.569 0.375 1.00 2.21 H new ATOM 0 HG22 VAL A 76 -12.927 8.389 -0.826 1.00 2.21 H new ATOM 0 HG23 VAL A 76 -14.130 7.903 0.392 1.00 2.21 H new ATOM 1105 N GLN A 77 -10.733 6.012 2.961 1.00 73.53 N ATOM 1106 CA GLN A 77 -9.620 5.601 3.804 1.00 14.45 C ATOM 1107 C GLN A 77 -8.973 4.306 3.301 1.00 24.45 C ATOM 1108 O GLN A 77 -7.767 4.124 3.440 1.00 63.22 O ATOM 1109 CB GLN A 77 -10.032 5.502 5.284 1.00 75.14 C ATOM 1110 CG GLN A 77 -9.897 6.805 6.092 1.00 1.44 C ATOM 1111 CD GLN A 77 -10.594 8.022 5.486 1.00 63.14 C ATOM 1112 OE1 GLN A 77 -10.009 8.750 4.683 1.00 71.51 O ATOM 1113 NE2 GLN A 77 -11.790 8.297 5.906 1.00 31.22 N ATOM 0 H GLN A 77 -11.627 6.079 3.447 1.00 73.53 H new ATOM 0 HA GLN A 77 -8.861 6.381 3.737 1.00 14.45 H new ATOM 0 HB2 GLN A 77 -11.068 5.168 5.334 1.00 75.14 H new ATOM 0 HB3 GLN A 77 -9.426 4.733 5.762 1.00 75.14 H new ATOM 0 HG2 GLN A 77 -10.298 6.637 7.091 1.00 1.44 H new ATOM 0 HG3 GLN A 77 -8.838 7.034 6.208 1.00 1.44 H new ATOM 0 HE21 GLN A 77 -12.252 7.677 6.571 1.00 31.22 H new ATOM 0 HE22 GLN A 77 -12.269 9.133 5.571 1.00 31.22 H new ATOM 1122 N TYR A 78 -9.754 3.445 2.642 1.00 73.54 N ATOM 1123 CA TYR A 78 -9.197 2.235 2.092 1.00 11.14 C ATOM 1124 C TYR A 78 -8.362 2.600 0.883 1.00 71.45 C ATOM 1125 O TYR A 78 -7.241 2.165 0.726 1.00 22.22 O ATOM 1126 CB TYR A 78 -10.303 1.255 1.662 1.00 13.24 C ATOM 1127 CG TYR A 78 -9.749 0.013 0.981 1.00 34.44 C ATOM 1128 CD1 TYR A 78 -9.111 -0.981 1.714 1.00 63.14 C ATOM 1129 CD2 TYR A 78 -9.833 -0.143 -0.400 1.00 54.20 C ATOM 1130 CE1 TYR A 78 -8.569 -2.086 1.092 1.00 63.32 C ATOM 1131 CE2 TYR A 78 -9.301 -1.251 -1.027 1.00 41.42 C ATOM 1132 CZ TYR A 78 -8.667 -2.216 -0.278 1.00 32.40 C ATOM 1133 OH TYR A 78 -8.111 -3.311 -0.903 1.00 33.10 O ATOM 0 H TYR A 78 -10.754 3.571 2.485 1.00 73.54 H new ATOM 0 HA TYR A 78 -8.590 1.748 2.855 1.00 11.14 H new ATOM 0 HB2 TYR A 78 -10.881 0.958 2.537 1.00 13.24 H new ATOM 0 HB3 TYR A 78 -10.989 1.762 0.984 1.00 13.24 H new ATOM 0 HD1 TYR A 78 -9.039 -0.886 2.787 1.00 63.14 H new ATOM 0 HD2 TYR A 78 -10.323 0.617 -0.991 1.00 54.20 H new ATOM 0 HE1 TYR A 78 -8.070 -2.846 1.675 1.00 63.32 H new ATOM 0 HE2 TYR A 78 -9.382 -1.360 -2.098 1.00 41.42 H new ATOM 0 HH TYR A 78 -8.269 -3.252 -1.868 1.00 33.10 H new ATOM 1143 N MET A 79 -8.926 3.454 0.069 1.00 44.13 N ATOM 1144 CA MET A 79 -8.353 3.837 -1.200 1.00 21.55 C ATOM 1145 C MET A 79 -7.074 4.665 -1.015 1.00 33.13 C ATOM 1146 O MET A 79 -6.041 4.362 -1.600 1.00 51.51 O ATOM 1147 CB MET A 79 -9.392 4.633 -1.995 1.00 0.14 C ATOM 1148 CG MET A 79 -9.076 4.785 -3.470 1.00 10.12 C ATOM 1149 SD MET A 79 -9.001 3.194 -4.320 1.00 33.44 S ATOM 1150 CE MET A 79 -10.635 2.513 -3.970 1.00 13.33 C ATOM 0 H MET A 79 -9.814 3.913 0.271 1.00 44.13 H new ATOM 0 HA MET A 79 -8.078 2.934 -1.746 1.00 21.55 H new ATOM 0 HB2 MET A 79 -10.361 4.144 -1.893 1.00 0.14 H new ATOM 0 HB3 MET A 79 -9.487 5.625 -1.553 1.00 0.14 H new ATOM 0 HG2 MET A 79 -9.835 5.410 -3.940 1.00 10.12 H new ATOM 0 HG3 MET A 79 -8.123 5.301 -3.584 1.00 10.12 H new ATOM 0 HE1 MET A 79 -10.753 1.564 -4.493 1.00 13.33 H new ATOM 0 HE2 MET A 79 -10.740 2.351 -2.897 1.00 13.33 H new ATOM 0 HE3 MET A 79 -11.400 3.212 -4.308 1.00 13.33 H new ATOM 1160 N LYS A 80 -7.145 5.677 -0.173 1.00 1.03 N ATOM 1161 CA LYS A 80 -6.025 6.578 0.040 1.00 71.11 C ATOM 1162 C LYS A 80 -4.837 5.871 0.676 1.00 42.04 C ATOM 1163 O LYS A 80 -3.708 6.093 0.273 1.00 65.32 O ATOM 1164 CB LYS A 80 -6.445 7.855 0.808 1.00 72.23 C ATOM 1165 CG LYS A 80 -7.119 7.621 2.138 1.00 24.15 C ATOM 1166 CD LYS A 80 -7.579 8.921 2.768 1.00 13.25 C ATOM 1167 CE LYS A 80 -6.430 9.785 3.227 1.00 22.21 C ATOM 1168 NZ LYS A 80 -5.628 9.108 4.265 1.00 63.01 N ATOM 0 H LYS A 80 -7.973 5.899 0.380 1.00 1.03 H new ATOM 0 HA LYS A 80 -5.690 6.911 -0.943 1.00 71.11 H new ATOM 0 HB2 LYS A 80 -5.558 8.467 0.972 1.00 72.23 H new ATOM 0 HB3 LYS A 80 -7.119 8.433 0.176 1.00 72.23 H new ATOM 0 HG2 LYS A 80 -7.975 6.960 2.001 1.00 24.15 H new ATOM 0 HG3 LYS A 80 -6.429 7.114 2.812 1.00 24.15 H new ATOM 0 HD2 LYS A 80 -8.180 9.476 2.048 1.00 13.25 H new ATOM 0 HD3 LYS A 80 -8.224 8.700 3.618 1.00 13.25 H new ATOM 0 HE2 LYS A 80 -5.794 10.030 2.376 1.00 22.21 H new ATOM 0 HE3 LYS A 80 -6.815 10.727 3.619 1.00 22.21 H new ATOM 0 HZ1 LYS A 80 -5.424 9.775 5.036 1.00 63.01 H new ATOM 0 HZ2 LYS A 80 -6.160 8.297 4.641 1.00 63.01 H new ATOM 0 HZ3 LYS A 80 -4.735 8.774 3.851 1.00 63.01 H new ATOM 1182 N GLU A 81 -5.102 4.976 1.608 1.00 72.22 N ATOM 1183 CA GLU A 81 -4.035 4.214 2.231 1.00 75.45 C ATOM 1184 C GLU A 81 -3.583 3.040 1.342 1.00 52.25 C ATOM 1185 O GLU A 81 -2.495 2.513 1.494 1.00 4.20 O ATOM 1186 CB GLU A 81 -4.410 3.777 3.660 1.00 54.55 C ATOM 1187 CG GLU A 81 -4.125 4.838 4.755 1.00 51.30 C ATOM 1188 CD GLU A 81 -4.746 6.214 4.513 1.00 45.51 C ATOM 1189 OE1 GLU A 81 -4.179 7.020 3.734 1.00 0.34 O ATOM 1190 OE2 GLU A 81 -5.780 6.555 5.126 1.00 4.40 O ATOM 0 H GLU A 81 -6.039 4.759 1.949 1.00 72.22 H new ATOM 0 HA GLU A 81 -3.171 4.871 2.330 1.00 75.45 H new ATOM 0 HB2 GLU A 81 -5.471 3.526 3.683 1.00 54.55 H new ATOM 0 HB3 GLU A 81 -3.862 2.867 3.903 1.00 54.55 H new ATOM 0 HG2 GLU A 81 -4.488 4.457 5.709 1.00 51.30 H new ATOM 0 HG3 GLU A 81 -3.046 4.957 4.849 1.00 51.30 H new ATOM 1197 N LYS A 82 -4.435 2.625 0.414 1.00 33.40 N ATOM 1198 CA LYS A 82 -4.042 1.627 -0.576 1.00 73.33 C ATOM 1199 C LYS A 82 -3.465 2.262 -1.821 1.00 35.41 C ATOM 1200 O LYS A 82 -3.084 1.581 -2.744 1.00 73.01 O ATOM 1201 CB LYS A 82 -5.166 0.643 -0.929 1.00 32.20 C ATOM 1202 CG LYS A 82 -5.342 -0.498 0.076 1.00 53.51 C ATOM 1203 CD LYS A 82 -4.070 -1.357 0.184 1.00 1.24 C ATOM 1204 CE LYS A 82 -3.687 -1.989 -1.158 1.00 4.30 C ATOM 1205 NZ LYS A 82 -2.345 -2.604 -1.116 1.00 2.14 N ATOM 0 H LYS A 82 -5.395 2.959 0.325 1.00 33.40 H new ATOM 0 HA LYS A 82 -3.256 1.040 -0.100 1.00 73.33 H new ATOM 0 HB2 LYS A 82 -6.104 1.193 -1.005 1.00 32.20 H new ATOM 0 HB3 LYS A 82 -4.965 0.218 -1.912 1.00 32.20 H new ATOM 0 HG2 LYS A 82 -5.589 -0.087 1.055 1.00 53.51 H new ATOM 0 HG3 LYS A 82 -6.181 -1.125 -0.227 1.00 53.51 H new ATOM 0 HD2 LYS A 82 -3.246 -0.740 0.542 1.00 1.24 H new ATOM 0 HD3 LYS A 82 -4.225 -2.143 0.923 1.00 1.24 H new ATOM 0 HE2 LYS A 82 -4.424 -2.746 -1.426 1.00 4.30 H new ATOM 0 HE3 LYS A 82 -3.713 -1.228 -1.938 1.00 4.30 H new ATOM 0 HZ1 LYS A 82 -2.125 -3.020 -2.043 1.00 2.14 H new ATOM 0 HZ2 LYS A 82 -1.637 -1.878 -0.885 1.00 2.14 H new ATOM 0 HZ3 LYS A 82 -2.327 -3.348 -0.390 1.00 2.14 H new ATOM 1219 N ASN A 83 -3.447 3.566 -1.856 1.00 23.10 N ATOM 1220 CA ASN A 83 -2.815 4.298 -2.950 1.00 60.31 C ATOM 1221 C ASN A 83 -1.278 4.332 -2.759 1.00 72.21 C ATOM 1222 O ASN A 83 -0.538 4.705 -3.667 1.00 75.53 O ATOM 1223 CB ASN A 83 -3.387 5.728 -3.017 1.00 32.30 C ATOM 1224 CG ASN A 83 -2.981 6.520 -4.258 1.00 51.00 C ATOM 1225 OD1 ASN A 83 -2.853 5.860 -5.390 1.00 24.45 O flip ATOM 1226 ND2 ASN A 83 -2.837 7.728 -4.207 1.00 3.15 N flip ATOM 0 H ASN A 83 -3.863 4.160 -1.139 1.00 23.10 H new ATOM 0 HA ASN A 83 -3.029 3.790 -3.890 1.00 60.31 H new ATOM 0 HB2 ASN A 83 -4.475 5.672 -2.978 1.00 32.30 H new ATOM 0 HB3 ASN A 83 -3.064 6.276 -2.131 1.00 32.30 H new ATOM 0 HD21 ASN A 83 -2.941 8.217 -3.318 1.00 3.15 H new ATOM 0 HD22 ASN A 83 -2.612 8.251 -5.053 1.00 3.15 H new ATOM 1345 N LEU A 92 18.466 3.859 -4.119 1.00 13.35 N ATOM 1346 CA LEU A 92 19.432 3.433 -3.126 1.00 14.50 C ATOM 1347 C LEU A 92 20.321 2.326 -3.680 1.00 0.04 C ATOM 1348 O LEU A 92 21.486 2.227 -3.327 1.00 53.34 O ATOM 1349 CB LEU A 92 18.719 2.986 -1.798 1.00 33.05 C ATOM 1350 CG LEU A 92 18.318 1.478 -1.592 1.00 40.23 C ATOM 1351 CD1 LEU A 92 17.710 1.286 -0.216 1.00 43.14 C ATOM 1352 CD2 LEU A 92 17.344 0.952 -2.646 1.00 30.34 C ATOM 0 HA LEU A 92 20.069 4.284 -2.884 1.00 14.50 H new ATOM 0 HB2 LEU A 92 19.371 3.265 -0.970 1.00 33.05 H new ATOM 0 HB3 LEU A 92 17.810 3.580 -1.702 1.00 33.05 H new ATOM 0 HG LEU A 92 19.239 0.905 -1.694 1.00 40.23 H new ATOM 0 HD11 LEU A 92 17.436 0.240 -0.082 1.00 43.14 H new ATOM 0 HD12 LEU A 92 18.436 1.571 0.546 1.00 43.14 H new ATOM 0 HD13 LEU A 92 16.821 1.909 -0.121 1.00 43.14 H new ATOM 0 HD21 LEU A 92 17.114 -0.093 -2.439 1.00 30.34 H new ATOM 0 HD22 LEU A 92 16.426 1.539 -2.618 1.00 30.34 H new ATOM 0 HD23 LEU A 92 17.797 1.035 -3.634 1.00 30.34 H new ATOM 1364 N ASN A 93 19.778 1.564 -4.626 1.00 2.01 N ATOM 1365 CA ASN A 93 20.463 0.414 -5.191 1.00 14.35 C ATOM 1366 C ASN A 93 21.706 0.835 -5.959 1.00 3.41 C ATOM 1367 O ASN A 93 22.700 0.113 -5.961 1.00 65.12 O ATOM 1368 CB ASN A 93 19.504 -0.405 -6.077 1.00 51.53 C ATOM 1369 CG ASN A 93 20.129 -1.678 -6.637 1.00 63.31 C ATOM 1370 OD1 ASN A 93 20.685 -1.690 -7.715 1.00 42.43 O ATOM 1371 ND2 ASN A 93 20.025 -2.763 -5.903 1.00 1.43 N ATOM 0 H ASN A 93 18.852 1.730 -5.019 1.00 2.01 H new ATOM 0 HA ASN A 93 20.791 -0.224 -4.370 1.00 14.35 H new ATOM 0 HB2 ASN A 93 18.621 -0.669 -5.495 1.00 51.53 H new ATOM 0 HB3 ASN A 93 19.165 0.218 -6.905 1.00 51.53 H new ATOM 0 HD21 ASN A 93 20.417 -3.644 -6.236 1.00 1.43 H new ATOM 0 HD22 ASN A 93 19.552 -2.724 -5.000 1.00 1.43 H new ATOM 1378 N GLU A 94 21.676 2.052 -6.516 1.00 41.24 N ATOM 1379 CA GLU A 94 22.786 2.559 -7.317 1.00 41.10 C ATOM 1380 C GLU A 94 24.030 2.718 -6.437 1.00 21.13 C ATOM 1381 O GLU A 94 25.032 2.024 -6.607 1.00 71.41 O ATOM 1382 CB GLU A 94 22.401 3.907 -7.953 1.00 33.23 C ATOM 1383 CG GLU A 94 23.469 4.510 -8.856 1.00 14.43 C ATOM 1384 CD GLU A 94 23.794 3.627 -10.040 1.00 42.10 C ATOM 1385 OE1 GLU A 94 23.131 3.770 -11.081 1.00 54.43 O ATOM 1386 OE2 GLU A 94 24.711 2.792 -9.923 1.00 33.11 O ATOM 0 H GLU A 94 20.894 2.700 -6.424 1.00 41.24 H new ATOM 0 HA GLU A 94 23.009 1.850 -8.114 1.00 41.10 H new ATOM 0 HB2 GLU A 94 21.488 3.773 -8.532 1.00 33.23 H new ATOM 0 HB3 GLU A 94 22.173 4.617 -7.158 1.00 33.23 H new ATOM 0 HG2 GLU A 94 23.130 5.482 -9.214 1.00 14.43 H new ATOM 0 HG3 GLU A 94 24.376 4.682 -8.276 1.00 14.43 H new ATOM 1393 N ILE A 95 23.925 3.564 -5.422 1.00 74.54 N ATOM 1394 CA ILE A 95 25.059 3.824 -4.558 1.00 74.22 C ATOM 1395 C ILE A 95 25.437 2.553 -3.765 1.00 13.20 C ATOM 1396 O ILE A 95 26.613 2.313 -3.476 1.00 13.41 O ATOM 1397 CB ILE A 95 24.823 5.060 -3.618 1.00 4.10 C ATOM 1398 CG1 ILE A 95 26.114 5.460 -2.880 1.00 54.34 C ATOM 1399 CG2 ILE A 95 23.713 4.798 -2.614 1.00 2.31 C ATOM 1400 CD1 ILE A 95 27.245 5.907 -3.790 1.00 73.32 C ATOM 0 H ILE A 95 23.076 4.075 -5.181 1.00 74.54 H new ATOM 0 HA ILE A 95 25.905 4.089 -5.192 1.00 74.22 H new ATOM 0 HB ILE A 95 24.518 5.887 -4.259 1.00 4.10 H new ATOM 0 HG12 ILE A 95 25.885 6.266 -2.183 1.00 54.34 H new ATOM 0 HG13 ILE A 95 26.456 4.613 -2.286 1.00 54.34 H new ATOM 0 HG21 ILE A 95 23.580 5.676 -1.982 1.00 2.31 H new ATOM 0 HG22 ILE A 95 22.784 4.589 -3.145 1.00 2.31 H new ATOM 0 HG23 ILE A 95 23.978 3.941 -1.994 1.00 2.31 H new ATOM 0 HD11 ILE A 95 28.114 6.170 -3.188 1.00 73.32 H new ATOM 0 HD12 ILE A 95 27.507 5.097 -4.470 1.00 73.32 H new ATOM 0 HD13 ILE A 95 26.927 6.776 -4.366 1.00 73.32 H new ATOM 1412 N PHE A 96 24.444 1.696 -3.496 1.00 32.44 N ATOM 1413 CA PHE A 96 24.689 0.431 -2.801 1.00 43.13 C ATOM 1414 C PHE A 96 25.575 -0.491 -3.619 1.00 43.34 C ATOM 1415 O PHE A 96 26.259 -1.334 -3.058 1.00 22.54 O ATOM 1416 CB PHE A 96 23.390 -0.293 -2.399 1.00 12.34 C ATOM 1417 CG PHE A 96 22.666 0.288 -1.198 1.00 20.21 C ATOM 1418 CD1 PHE A 96 22.956 1.559 -0.718 1.00 52.22 C ATOM 1419 CD2 PHE A 96 21.698 -0.457 -0.547 1.00 1.52 C ATOM 1420 CE1 PHE A 96 22.294 2.073 0.376 1.00 72.50 C ATOM 1421 CE2 PHE A 96 21.035 0.051 0.550 1.00 34.23 C ATOM 1422 CZ PHE A 96 21.333 1.319 1.011 1.00 54.43 C ATOM 0 H PHE A 96 23.469 1.856 -3.749 1.00 32.44 H new ATOM 0 HA PHE A 96 25.211 0.692 -1.880 1.00 43.13 H new ATOM 0 HB2 PHE A 96 22.710 -0.284 -3.251 1.00 12.34 H new ATOM 0 HB3 PHE A 96 23.625 -1.337 -2.190 1.00 12.34 H new ATOM 0 HD1 PHE A 96 23.712 2.153 -1.210 1.00 52.22 H new ATOM 0 HD2 PHE A 96 21.459 -1.448 -0.903 1.00 1.52 H new ATOM 0 HE1 PHE A 96 22.528 3.065 0.734 1.00 72.50 H new ATOM 0 HE2 PHE A 96 20.283 -0.542 1.049 1.00 34.23 H new ATOM 0 HZ PHE A 96 20.812 1.718 1.869 1.00 54.43 H new ATOM 1432 N SER A 97 25.599 -0.289 -4.930 1.00 73.35 N ATOM 1433 CA SER A 97 26.431 -1.075 -5.813 1.00 5.45 C ATOM 1434 C SER A 97 27.916 -0.705 -5.577 1.00 75.24 C ATOM 1435 O SER A 97 28.813 -1.515 -5.773 1.00 31.15 O ATOM 1436 CB SER A 97 26.001 -0.826 -7.280 1.00 10.02 C ATOM 1437 OG SER A 97 26.712 -1.629 -8.205 1.00 44.13 O ATOM 0 H SER A 97 25.042 0.423 -5.403 1.00 73.35 H new ATOM 0 HA SER A 97 26.312 -2.138 -5.606 1.00 5.45 H new ATOM 0 HB2 SER A 97 24.934 -1.024 -7.379 1.00 10.02 H new ATOM 0 HB3 SER A 97 26.154 0.225 -7.525 1.00 10.02 H new ATOM 0 HG SER A 97 26.402 -1.434 -9.114 1.00 44.13 H new ATOM 1443 N THR A 98 28.151 0.516 -5.107 1.00 60.53 N ATOM 1444 CA THR A 98 29.494 0.974 -4.825 1.00 13.23 C ATOM 1445 C THR A 98 29.864 0.644 -3.359 1.00 74.23 C ATOM 1446 O THR A 98 30.990 0.281 -3.046 1.00 55.33 O ATOM 1447 CB THR A 98 29.566 2.498 -5.039 1.00 55.41 C ATOM 1448 OG1 THR A 98 28.987 2.819 -6.313 1.00 31.50 O ATOM 1449 CG2 THR A 98 31.007 2.994 -5.009 1.00 22.32 C ATOM 0 H THR A 98 27.422 1.203 -4.915 1.00 60.53 H new ATOM 0 HA THR A 98 30.194 0.473 -5.494 1.00 13.23 H new ATOM 0 HB THR A 98 29.018 2.985 -4.233 1.00 55.41 H new ATOM 0 HG1 THR A 98 29.027 3.788 -6.456 1.00 31.50 H new ATOM 0 HG21 THR A 98 31.024 4.073 -5.163 1.00 22.32 H new ATOM 0 HG22 THR A 98 31.453 2.758 -4.043 1.00 22.32 H new ATOM 0 HG23 THR A 98 31.576 2.506 -5.800 1.00 22.32 H new ATOM 1457 N ILE A 99 28.885 0.757 -2.493 1.00 42.41 N ATOM 1458 CA ILE A 99 29.057 0.553 -1.058 1.00 42.01 C ATOM 1459 C ILE A 99 29.150 -0.939 -0.690 1.00 23.43 C ATOM 1460 O ILE A 99 30.131 -1.401 -0.100 1.00 61.40 O ATOM 1461 CB ILE A 99 27.860 1.157 -0.325 1.00 24.31 C ATOM 1462 CG1 ILE A 99 27.759 2.671 -0.553 1.00 20.42 C ATOM 1463 CG2 ILE A 99 27.899 0.831 1.157 1.00 11.31 C ATOM 1464 CD1 ILE A 99 26.552 3.318 0.104 1.00 2.33 C ATOM 0 H ILE A 99 27.930 0.996 -2.760 1.00 42.41 H new ATOM 0 HA ILE A 99 29.990 1.035 -0.765 1.00 42.01 H new ATOM 0 HB ILE A 99 26.963 0.702 -0.745 1.00 24.31 H new ATOM 0 HG12 ILE A 99 28.664 3.146 -0.174 1.00 20.42 H new ATOM 0 HG13 ILE A 99 27.723 2.865 -1.625 1.00 20.42 H new ATOM 0 HG21 ILE A 99 27.034 1.275 1.650 1.00 11.31 H new ATOM 0 HG22 ILE A 99 27.879 -0.250 1.292 1.00 11.31 H new ATOM 0 HG23 ILE A 99 28.812 1.234 1.594 1.00 11.31 H new ATOM 0 HD11 ILE A 99 26.554 4.388 -0.105 1.00 2.33 H new ATOM 0 HD12 ILE A 99 25.640 2.873 -0.293 1.00 2.33 H new ATOM 0 HD13 ILE A 99 26.595 3.158 1.181 1.00 2.33 H new ATOM 1476 N ALA A 100 28.136 -1.696 -1.047 1.00 73.03 N ATOM 1477 CA ALA A 100 28.061 -3.109 -0.704 1.00 54.45 C ATOM 1478 C ALA A 100 28.589 -3.912 -1.858 1.00 65.12 C ATOM 1479 O ALA A 100 28.189 -5.033 -2.095 1.00 71.32 O ATOM 1480 CB ALA A 100 26.635 -3.498 -0.392 1.00 45.45 C ATOM 0 H ALA A 100 27.338 -1.355 -1.583 1.00 73.03 H new ATOM 0 HA ALA A 100 28.663 -3.307 0.183 1.00 54.45 H new ATOM 0 HB1 ALA A 100 26.594 -4.557 -0.137 1.00 45.45 H new ATOM 0 HB2 ALA A 100 26.273 -2.908 0.450 1.00 45.45 H new ATOM 0 HB3 ALA A 100 26.008 -3.310 -1.263 1.00 45.45 H new ATOM 1486 N ALA A 101 29.540 -3.312 -2.513 1.00 31.21 N ATOM 1487 CA ALA A 101 30.198 -3.805 -3.683 1.00 11.21 C ATOM 1488 C ALA A 101 30.752 -5.219 -3.497 1.00 22.50 C ATOM 1489 O ALA A 101 31.834 -5.413 -2.942 1.00 33.41 O ATOM 1490 CB ALA A 101 31.289 -2.831 -4.018 1.00 3.52 C ATOM 0 H ALA A 101 29.899 -2.403 -2.222 1.00 31.21 H new ATOM 0 HA ALA A 101 29.481 -3.885 -4.500 1.00 11.21 H new ATOM 0 HB1 ALA A 101 31.819 -3.170 -4.908 1.00 3.52 H new ATOM 0 HB2 ALA A 101 30.855 -1.849 -4.206 1.00 3.52 H new ATOM 0 HB3 ALA A 101 31.987 -2.765 -3.183 1.00 3.52 H new ATOM 1496 N GLY A 102 29.940 -6.194 -3.868 1.00 45.42 N ATOM 1497 CA GLY A 102 30.322 -7.579 -3.802 1.00 70.30 C ATOM 1498 C GLY A 102 30.126 -8.190 -2.422 1.00 73.33 C ATOM 1499 O GLY A 102 30.243 -9.401 -2.256 1.00 73.10 O ATOM 0 H GLY A 102 28.997 -6.039 -4.223 1.00 45.42 H new ATOM 0 HA2 GLY A 102 29.739 -8.145 -4.529 1.00 70.30 H new ATOM 0 HA3 GLY A 102 31.369 -7.674 -4.089 1.00 70.30 H new ATOM 1503 N LYS A 103 29.820 -7.366 -1.441 1.00 72.51 N ATOM 1504 CA LYS A 103 29.705 -7.837 -0.082 1.00 42.22 C ATOM 1505 C LYS A 103 28.259 -7.764 0.377 1.00 50.43 C ATOM 1506 O LYS A 103 27.544 -6.853 0.007 1.00 42.44 O ATOM 1507 CB LYS A 103 30.667 -7.053 0.835 1.00 50.35 C ATOM 1508 CG LYS A 103 30.231 -5.660 1.276 1.00 62.42 C ATOM 1509 CD LYS A 103 31.437 -4.877 1.786 1.00 33.14 C ATOM 1510 CE LYS A 103 31.069 -3.718 2.710 1.00 44.50 C ATOM 1511 NZ LYS A 103 29.962 -2.886 2.214 1.00 24.44 N ATOM 0 H LYS A 103 29.647 -6.368 -1.562 1.00 72.51 H new ATOM 0 HA LYS A 103 30.000 -8.885 -0.028 1.00 42.22 H new ATOM 0 HB2 LYS A 103 30.843 -7.651 1.729 1.00 50.35 H new ATOM 0 HB3 LYS A 103 31.623 -6.960 0.320 1.00 50.35 H new ATOM 0 HG2 LYS A 103 29.770 -5.132 0.441 1.00 62.42 H new ATOM 0 HG3 LYS A 103 29.478 -5.736 2.060 1.00 62.42 H new ATOM 0 HD2 LYS A 103 32.102 -5.557 2.318 1.00 33.14 H new ATOM 0 HD3 LYS A 103 31.994 -4.488 0.933 1.00 33.14 H new ATOM 0 HE2 LYS A 103 30.800 -4.118 3.688 1.00 44.50 H new ATOM 0 HE3 LYS A 103 31.947 -3.088 2.854 1.00 44.50 H new ATOM 0 HZ1 LYS A 103 29.902 -2.015 2.779 1.00 24.44 H new ATOM 0 HZ2 LYS A 103 30.131 -2.642 1.217 1.00 24.44 H new ATOM 0 HZ3 LYS A 103 29.069 -3.413 2.295 1.00 24.44 H new ATOM 1525 N ASP A 104 27.839 -8.704 1.194 1.00 13.23 N ATOM 1526 CA ASP A 104 26.444 -8.764 1.666 1.00 42.14 C ATOM 1527 C ASP A 104 26.217 -7.737 2.765 1.00 64.33 C ATOM 1528 O ASP A 104 25.075 -7.390 3.098 1.00 32.53 O ATOM 1529 CB ASP A 104 26.136 -10.149 2.257 1.00 12.11 C ATOM 1530 CG ASP A 104 26.807 -10.364 3.616 1.00 71.24 C ATOM 1531 OD1 ASP A 104 28.044 -10.450 3.660 1.00 64.04 O ATOM 1532 OD2 ASP A 104 26.079 -10.375 4.652 1.00 52.41 O ATOM 0 H ASP A 104 28.435 -9.448 1.556 1.00 13.23 H new ATOM 0 HA ASP A 104 25.797 -8.563 0.813 1.00 42.14 H new ATOM 0 HB2 ASP A 104 25.057 -10.264 2.365 1.00 12.11 H new ATOM 0 HB3 ASP A 104 26.471 -10.920 1.563 1.00 12.11 H new ATOM 1537 N SER A 105 27.292 -7.270 3.300 1.00 2.23 N ATOM 1538 CA SER A 105 27.313 -6.419 4.431 1.00 33.32 C ATOM 1539 C SER A 105 27.234 -4.937 4.073 1.00 42.45 C ATOM 1540 O SER A 105 27.841 -4.461 3.082 1.00 31.20 O ATOM 1541 CB SER A 105 28.577 -6.759 5.193 1.00 74.20 C ATOM 1542 OG SER A 105 29.503 -7.422 4.304 1.00 12.23 O ATOM 0 H SER A 105 28.222 -7.484 2.941 1.00 2.23 H new ATOM 0 HA SER A 105 26.427 -6.586 5.043 1.00 33.32 H new ATOM 0 HB2 SER A 105 29.028 -5.852 5.597 1.00 74.20 H new ATOM 0 HB3 SER A 105 28.343 -7.403 6.040 1.00 74.20 H new ATOM 0 HG SER A 105 30.324 -7.643 4.792 1.00 12.23 H new ATOM 1548 N ILE A 106 26.451 -4.229 4.848 1.00 52.14 N ATOM 1549 CA ILE A 106 26.274 -2.810 4.710 1.00 31.25 C ATOM 1550 C ILE A 106 25.757 -2.236 6.034 1.00 4.04 C ATOM 1551 O ILE A 106 24.645 -2.513 6.462 1.00 42.24 O ATOM 1552 CB ILE A 106 25.346 -2.441 3.487 1.00 63.21 C ATOM 1553 CG1 ILE A 106 25.145 -0.941 3.371 1.00 12.03 C ATOM 1554 CG2 ILE A 106 23.994 -3.144 3.544 1.00 55.21 C ATOM 1555 CD1 ILE A 106 24.462 -0.525 2.089 1.00 2.32 C ATOM 0 H ILE A 106 25.907 -4.635 5.609 1.00 52.14 H new ATOM 0 HA ILE A 106 27.238 -2.353 4.487 1.00 31.25 H new ATOM 0 HB ILE A 106 25.867 -2.796 2.598 1.00 63.21 H new ATOM 0 HG12 ILE A 106 24.553 -0.594 4.218 1.00 12.03 H new ATOM 0 HG13 ILE A 106 26.114 -0.446 3.435 1.00 12.03 H new ATOM 0 HG21 ILE A 106 23.397 -2.854 2.680 1.00 55.21 H new ATOM 0 HG22 ILE A 106 24.145 -4.224 3.536 1.00 55.21 H new ATOM 0 HG23 ILE A 106 23.473 -2.857 4.458 1.00 55.21 H new ATOM 0 HD11 ILE A 106 24.350 0.559 2.072 1.00 2.32 H new ATOM 0 HD12 ILE A 106 25.064 -0.841 1.237 1.00 2.32 H new ATOM 0 HD13 ILE A 106 23.479 -0.992 2.032 1.00 2.32 H new ATOM 1567 N THR A 107 26.587 -1.511 6.702 1.00 3.01 N ATOM 1568 CA THR A 107 26.252 -0.936 7.971 1.00 70.31 C ATOM 1569 C THR A 107 25.908 0.546 7.804 1.00 11.30 C ATOM 1570 O THR A 107 26.003 1.119 6.675 1.00 22.32 O ATOM 1571 CB THR A 107 27.455 -1.039 8.928 1.00 11.25 C ATOM 1572 OG1 THR A 107 28.541 -0.297 8.380 1.00 62.14 O ATOM 1573 CG2 THR A 107 27.881 -2.484 9.144 1.00 22.54 C ATOM 0 H THR A 107 27.531 -1.295 6.383 1.00 3.01 H new ATOM 0 HA THR A 107 25.397 -1.477 8.375 1.00 70.31 H new ATOM 0 HB THR A 107 27.162 -0.633 9.896 1.00 11.25 H new ATOM 0 HG1 THR A 107 28.894 -0.765 7.595 1.00 62.14 H new ATOM 0 HG21 THR A 107 28.732 -2.515 9.825 1.00 22.54 H new ATOM 0 HG22 THR A 107 27.052 -3.047 9.573 1.00 22.54 H new ATOM 0 HG23 THR A 107 28.164 -2.926 8.189 1.00 22.54 H new ATOM 1581 N GLU A 108 25.557 1.208 8.917 1.00 20.21 N ATOM 1582 CA GLU A 108 25.298 2.623 8.861 1.00 65.25 C ATOM 1583 C GLU A 108 26.539 3.339 8.391 1.00 43.21 C ATOM 1584 O GLU A 108 26.456 4.278 7.645 1.00 73.41 O ATOM 1585 CB GLU A 108 24.881 3.242 10.192 1.00 14.44 C ATOM 1586 CG GLU A 108 24.604 4.729 9.999 1.00 75.13 C ATOM 1587 CD GLU A 108 24.508 5.547 11.240 1.00 63.44 C ATOM 1588 OE1 GLU A 108 23.397 5.697 11.754 1.00 0.24 O ATOM 1589 OE2 GLU A 108 25.557 6.121 11.651 1.00 63.32 O ATOM 0 H GLU A 108 25.452 0.783 9.838 1.00 20.21 H new ATOM 0 HA GLU A 108 24.461 2.741 8.173 1.00 65.25 H new ATOM 0 HB2 GLU A 108 23.991 2.742 10.574 1.00 14.44 H new ATOM 0 HB3 GLU A 108 25.668 3.101 10.933 1.00 14.44 H new ATOM 0 HG2 GLU A 108 25.394 5.146 9.374 1.00 75.13 H new ATOM 0 HG3 GLU A 108 23.671 4.835 9.446 1.00 75.13 H new ATOM 1596 N THR A 109 27.692 2.864 8.786 1.00 31.20 N ATOM 1597 CA THR A 109 28.879 3.532 8.407 1.00 43.22 C ATOM 1598 C THR A 109 29.200 3.323 6.919 1.00 35.03 C ATOM 1599 O THR A 109 29.931 4.107 6.328 1.00 33.22 O ATOM 1600 CB THR A 109 30.075 3.302 9.371 1.00 64.35 C ATOM 1601 OG1 THR A 109 31.210 4.076 8.976 1.00 24.53 O ATOM 1602 CG2 THR A 109 30.449 1.853 9.474 1.00 12.50 C ATOM 0 H THR A 109 27.820 2.031 9.360 1.00 31.20 H new ATOM 0 HA THR A 109 28.683 4.598 8.519 1.00 43.22 H new ATOM 0 HB THR A 109 29.749 3.631 10.358 1.00 64.35 H new ATOM 0 HG1 THR A 109 31.949 3.915 9.599 1.00 24.53 H new ATOM 0 HG21 THR A 109 31.290 1.742 10.159 1.00 12.50 H new ATOM 0 HG22 THR A 109 29.598 1.283 9.848 1.00 12.50 H new ATOM 0 HG23 THR A 109 30.731 1.479 8.490 1.00 12.50 H new ATOM 1610 N ASP A 110 28.599 2.293 6.327 1.00 24.44 N ATOM 1611 CA ASP A 110 28.709 2.049 4.894 1.00 51.00 C ATOM 1612 C ASP A 110 27.892 3.089 4.169 1.00 53.34 C ATOM 1613 O ASP A 110 28.327 3.690 3.201 1.00 21.32 O ATOM 1614 CB ASP A 110 28.151 0.657 4.535 1.00 23.13 C ATOM 1615 CG ASP A 110 29.081 -0.479 4.802 1.00 73.25 C ATOM 1616 OD1 ASP A 110 29.073 -0.993 5.924 1.00 43.50 O ATOM 1617 OD2 ASP A 110 29.765 -0.916 3.867 1.00 4.54 O ATOM 0 H ASP A 110 28.027 1.610 6.824 1.00 24.44 H new ATOM 0 HA ASP A 110 29.759 2.098 4.605 1.00 51.00 H new ATOM 0 HB2 ASP A 110 27.231 0.494 5.096 1.00 23.13 H new ATOM 0 HB3 ASP A 110 27.885 0.649 3.478 1.00 23.13 H new ATOM 1622 N MET A 111 26.693 3.310 4.669 1.00 63.43 N ATOM 1623 CA MET A 111 25.756 4.246 4.031 1.00 44.44 C ATOM 1624 C MET A 111 25.969 5.712 4.433 1.00 34.52 C ATOM 1625 O MET A 111 26.284 6.559 3.613 1.00 32.42 O ATOM 1626 CB MET A 111 24.332 3.860 4.378 1.00 30.30 C ATOM 1627 CG MET A 111 23.902 2.521 3.854 1.00 52.34 C ATOM 1628 SD MET A 111 22.269 2.049 4.436 1.00 55.41 S ATOM 1629 CE MET A 111 22.558 1.827 6.190 1.00 12.24 C ATOM 0 H MET A 111 26.334 2.862 5.512 1.00 63.43 H new ATOM 0 HA MET A 111 25.945 4.172 2.960 1.00 44.44 H new ATOM 0 HB2 MET A 111 24.223 3.863 5.463 1.00 30.30 H new ATOM 0 HB3 MET A 111 23.658 4.622 3.987 1.00 30.30 H new ATOM 0 HG2 MET A 111 23.904 2.543 2.764 1.00 52.34 H new ATOM 0 HG3 MET A 111 24.626 1.765 4.159 1.00 52.34 H new ATOM 0 HE1 MET A 111 21.730 1.270 6.628 1.00 12.24 H new ATOM 0 HE2 MET A 111 23.486 1.275 6.339 1.00 12.24 H new ATOM 0 HE3 MET A 111 22.635 2.801 6.672 1.00 12.24 H new ATOM 1639 N GLN A 112 25.807 5.966 5.705 1.00 12.43 N ATOM 1640 CA GLN A 112 25.743 7.305 6.299 1.00 23.44 C ATOM 1641 C GLN A 112 27.002 8.108 6.111 1.00 64.45 C ATOM 1642 O GLN A 112 26.954 9.316 5.975 1.00 42.20 O ATOM 1643 CB GLN A 112 25.441 7.150 7.782 1.00 14.11 C ATOM 1644 CG GLN A 112 25.170 8.422 8.537 1.00 22.51 C ATOM 1645 CD GLN A 112 23.883 9.107 8.108 1.00 70.24 C ATOM 1646 OE1 GLN A 112 23.872 9.912 7.204 1.00 31.41 O ATOM 1647 NE2 GLN A 112 22.798 8.792 8.774 1.00 21.13 N ATOM 0 H GLN A 112 25.710 5.223 6.398 1.00 12.43 H new ATOM 0 HA GLN A 112 24.957 7.860 5.786 1.00 23.44 H new ATOM 0 HB2 GLN A 112 24.576 6.496 7.890 1.00 14.11 H new ATOM 0 HB3 GLN A 112 26.284 6.644 8.253 1.00 14.11 H new ATOM 0 HG2 GLN A 112 25.119 8.201 9.603 1.00 22.51 H new ATOM 0 HG3 GLN A 112 26.005 9.108 8.393 1.00 22.51 H new ATOM 0 HE21 GLN A 112 22.844 8.109 9.530 1.00 21.13 H new ATOM 0 HE22 GLN A 112 21.908 9.230 8.536 1.00 21.13 H new ATOM 1656 N LYS A 113 28.125 7.462 6.095 1.00 22.31 N ATOM 1657 CA LYS A 113 29.349 8.224 6.027 1.00 13.42 C ATOM 1658 C LYS A 113 29.761 8.434 4.570 1.00 4.51 C ATOM 1659 O LYS A 113 30.593 9.265 4.275 1.00 0.43 O ATOM 1660 CB LYS A 113 30.470 7.575 6.860 1.00 73.11 C ATOM 1661 CG LYS A 113 29.986 6.901 8.158 1.00 45.42 C ATOM 1662 CD LYS A 113 29.163 7.798 9.102 1.00 15.22 C ATOM 1663 CE LYS A 113 28.493 6.939 10.194 1.00 71.45 C ATOM 1664 NZ LYS A 113 27.556 7.703 11.065 1.00 14.03 N ATOM 0 H LYS A 113 28.230 6.448 6.126 1.00 22.31 H new ATOM 0 HA LYS A 113 29.169 9.204 6.468 1.00 13.42 H new ATOM 0 HB2 LYS A 113 30.979 6.832 6.246 1.00 73.11 H new ATOM 0 HB3 LYS A 113 31.207 8.338 7.113 1.00 73.11 H new ATOM 0 HG2 LYS A 113 29.383 6.032 7.893 1.00 45.42 H new ATOM 0 HG3 LYS A 113 30.856 6.532 8.702 1.00 45.42 H new ATOM 0 HD2 LYS A 113 29.809 8.546 9.561 1.00 15.22 H new ATOM 0 HD3 LYS A 113 28.404 8.337 8.535 1.00 15.22 H new ATOM 0 HE2 LYS A 113 27.950 6.122 9.719 1.00 71.45 H new ATOM 0 HE3 LYS A 113 29.267 6.488 10.815 1.00 71.45 H new ATOM 0 HZ1 LYS A 113 27.948 7.765 12.026 1.00 14.03 H new ATOM 0 HZ2 LYS A 113 27.428 8.661 10.681 1.00 14.03 H new ATOM 0 HZ3 LYS A 113 26.637 7.217 11.097 1.00 14.03 H new ATOM 1678 N ALA A 114 29.065 7.758 3.650 1.00 65.34 N ATOM 1679 CA ALA A 114 29.365 7.836 2.207 1.00 64.54 C ATOM 1680 C ALA A 114 28.846 9.150 1.604 1.00 5.42 C ATOM 1681 O ALA A 114 28.795 9.309 0.386 1.00 21.30 O ATOM 1682 CB ALA A 114 28.737 6.642 1.471 1.00 42.04 C ATOM 0 H ALA A 114 28.283 7.144 3.877 1.00 65.34 H new ATOM 0 HA ALA A 114 30.448 7.807 2.086 1.00 64.54 H new ATOM 0 HB1 ALA A 114 28.965 6.710 0.407 1.00 42.04 H new ATOM 0 HB2 ALA A 114 29.144 5.713 1.871 1.00 42.04 H new ATOM 0 HB3 ALA A 114 27.656 6.655 1.612 1.00 42.04 H new ATOM 1688 N GLY A 115 28.511 10.096 2.481 1.00 73.42 N ATOM 1689 CA GLY A 115 27.916 11.370 2.076 1.00 5.21 C ATOM 1690 C GLY A 115 26.604 11.185 1.330 1.00 4.10 C ATOM 1691 O GLY A 115 26.220 12.015 0.508 1.00 44.22 O ATOM 0 H GLY A 115 28.644 10.002 3.488 1.00 73.42 H new ATOM 0 HA2 GLY A 115 27.745 11.985 2.959 1.00 5.21 H new ATOM 0 HA3 GLY A 115 28.618 11.911 1.442 1.00 5.21 H new ATOM 1695 N MET A 116 25.930 10.097 1.620 1.00 53.20 N ATOM 1696 CA MET A 116 24.715 9.749 0.932 1.00 50.22 C ATOM 1697 C MET A 116 23.524 10.345 1.689 1.00 41.22 C ATOM 1698 O MET A 116 23.644 10.669 2.871 1.00 64.51 O ATOM 1699 CB MET A 116 24.642 8.212 0.803 1.00 14.22 C ATOM 1700 CG MET A 116 23.889 7.693 -0.425 1.00 40.11 C ATOM 1701 SD MET A 116 22.086 7.758 -0.328 1.00 12.01 S ATOM 1702 CE MET A 116 21.767 6.438 0.834 1.00 62.52 C ATOM 0 H MET A 116 26.210 9.430 2.339 1.00 53.20 H new ATOM 0 HA MET A 116 24.693 10.163 -0.076 1.00 50.22 H new ATOM 0 HB2 MET A 116 25.658 7.817 0.779 1.00 14.22 H new ATOM 0 HB3 MET A 116 24.165 7.811 1.697 1.00 14.22 H new ATOM 0 HG2 MET A 116 24.208 8.269 -1.294 1.00 40.11 H new ATOM 0 HG3 MET A 116 24.187 6.659 -0.601 1.00 40.11 H new ATOM 0 HE1 MET A 116 21.035 6.770 1.570 1.00 62.52 H new ATOM 0 HE2 MET A 116 21.377 5.571 0.301 1.00 62.52 H new ATOM 0 HE3 MET A 116 22.694 6.167 1.340 1.00 62.52 H new ATOM 1712 N SER A 117 22.405 10.503 1.008 1.00 63.05 N ATOM 1713 CA SER A 117 21.198 11.097 1.548 1.00 54.02 C ATOM 1714 C SER A 117 20.706 10.383 2.832 1.00 54.12 C ATOM 1715 O SER A 117 20.088 9.299 2.773 1.00 10.31 O ATOM 1716 CB SER A 117 20.130 11.062 0.464 1.00 50.14 C ATOM 1717 OG SER A 117 20.644 11.613 -0.740 1.00 31.54 O ATOM 0 H SER A 117 22.308 10.213 0.035 1.00 63.05 H new ATOM 0 HA SER A 117 21.412 12.124 1.842 1.00 54.02 H new ATOM 0 HB2 SER A 117 19.805 10.035 0.295 1.00 50.14 H new ATOM 0 HB3 SER A 117 19.254 11.624 0.786 1.00 50.14 H new ATOM 0 HG SER A 117 19.952 11.586 -1.434 1.00 31.54 H new ATOM 1723 N ALA A 118 20.998 11.010 3.987 1.00 75.14 N ATOM 1724 CA ALA A 118 20.643 10.508 5.329 1.00 33.23 C ATOM 1725 C ALA A 118 19.168 10.149 5.440 1.00 31.11 C ATOM 1726 O ALA A 118 18.804 9.199 6.133 1.00 51.25 O ATOM 1727 CB ALA A 118 21.011 11.537 6.385 1.00 2.23 C ATOM 0 H ALA A 118 21.498 11.899 4.014 1.00 75.14 H new ATOM 0 HA ALA A 118 21.212 9.593 5.494 1.00 33.23 H new ATOM 0 HB1 ALA A 118 20.745 11.157 7.371 1.00 2.23 H new ATOM 0 HB2 ALA A 118 22.083 11.730 6.347 1.00 2.23 H new ATOM 0 HB3 ALA A 118 20.469 12.463 6.195 1.00 2.23 H new ATOM 1733 N GLU A 119 18.346 10.902 4.729 1.00 73.23 N ATOM 1734 CA GLU A 119 16.901 10.695 4.653 1.00 32.22 C ATOM 1735 C GLU A 119 16.559 9.247 4.256 1.00 55.41 C ATOM 1736 O GLU A 119 15.661 8.634 4.821 1.00 11.41 O ATOM 1737 CB GLU A 119 16.319 11.660 3.624 1.00 33.51 C ATOM 1738 CG GLU A 119 17.068 11.613 2.303 1.00 5.04 C ATOM 1739 CD GLU A 119 16.393 12.346 1.208 1.00 54.44 C ATOM 1740 OE1 GLU A 119 15.498 11.751 0.592 1.00 30.24 O ATOM 1741 OE2 GLU A 119 16.783 13.483 0.938 1.00 74.43 O ATOM 0 H GLU A 119 18.668 11.695 4.173 1.00 73.23 H new ATOM 0 HA GLU A 119 16.470 10.881 5.637 1.00 32.22 H new ATOM 0 HB2 GLU A 119 15.270 11.417 3.454 1.00 33.51 H new ATOM 0 HB3 GLU A 119 16.351 12.674 4.021 1.00 33.51 H new ATOM 0 HG2 GLU A 119 18.065 12.030 2.446 1.00 5.04 H new ATOM 0 HG3 GLU A 119 17.197 10.572 2.006 1.00 5.04 H new ATOM 1748 N GLN A 120 17.315 8.701 3.313 1.00 54.42 N ATOM 1749 CA GLN A 120 17.077 7.366 2.843 1.00 75.25 C ATOM 1750 C GLN A 120 17.647 6.394 3.864 1.00 21.40 C ATOM 1751 O GLN A 120 16.983 5.462 4.294 1.00 45.41 O ATOM 1752 CB GLN A 120 17.768 7.130 1.485 1.00 12.02 C ATOM 1753 CG GLN A 120 17.362 8.058 0.322 1.00 21.13 C ATOM 1754 CD GLN A 120 15.885 7.986 -0.050 1.00 54.53 C ATOM 1755 OE1 GLN A 120 15.481 7.130 -0.844 1.00 5.03 O ATOM 1756 NE2 GLN A 120 15.107 8.946 0.371 1.00 44.42 N ATOM 0 H GLN A 120 18.099 9.174 2.864 1.00 54.42 H new ATOM 0 HA GLN A 120 16.005 7.217 2.715 1.00 75.25 H new ATOM 0 HB2 GLN A 120 18.844 7.222 1.632 1.00 12.02 H new ATOM 0 HB3 GLN A 120 17.575 6.101 1.181 1.00 12.02 H new ATOM 0 HG2 GLN A 120 17.608 9.086 0.589 1.00 21.13 H new ATOM 0 HG3 GLN A 120 17.958 7.805 -0.555 1.00 21.13 H new ATOM 0 HE21 GLN A 120 15.464 9.641 1.027 1.00 44.42 H new ATOM 0 HE22 GLN A 120 14.142 9.001 0.044 1.00 44.42 H new ATOM 1765 N ILE A 121 18.859 6.696 4.301 1.00 34.21 N ATOM 1766 CA ILE A 121 19.654 5.851 5.208 1.00 21.23 C ATOM 1767 C ILE A 121 18.913 5.510 6.494 1.00 55.43 C ATOM 1768 O ILE A 121 18.937 4.357 6.949 1.00 73.03 O ATOM 1769 CB ILE A 121 20.975 6.555 5.573 1.00 62.12 C ATOM 1770 CG1 ILE A 121 21.700 6.944 4.293 1.00 31.22 C ATOM 1771 CG2 ILE A 121 21.855 5.663 6.459 1.00 42.15 C ATOM 1772 CD1 ILE A 121 22.989 7.658 4.511 1.00 41.12 C ATOM 0 H ILE A 121 19.339 7.556 4.034 1.00 34.21 H new ATOM 0 HA ILE A 121 19.849 4.922 4.672 1.00 21.23 H new ATOM 0 HB ILE A 121 20.754 7.454 6.148 1.00 62.12 H new ATOM 0 HG12 ILE A 121 21.891 6.043 3.710 1.00 31.22 H new ATOM 0 HG13 ILE A 121 21.044 7.577 3.696 1.00 31.22 H new ATOM 0 HG21 ILE A 121 22.780 6.188 6.699 1.00 42.15 H new ATOM 0 HG22 ILE A 121 21.322 5.426 7.380 1.00 42.15 H new ATOM 0 HG23 ILE A 121 22.089 4.740 5.928 1.00 42.15 H new ATOM 0 HD11 ILE A 121 23.439 7.898 3.548 1.00 41.12 H new ATOM 0 HD12 ILE A 121 22.806 8.578 5.065 1.00 41.12 H new ATOM 0 HD13 ILE A 121 23.666 7.021 5.079 1.00 41.12 H new ATOM 1784 N GLU A 122 18.248 6.494 7.060 1.00 15.20 N ATOM 1785 CA GLU A 122 17.533 6.309 8.306 1.00 61.32 C ATOM 1786 C GLU A 122 16.351 5.346 8.089 1.00 51.25 C ATOM 1787 O GLU A 122 15.983 4.580 8.971 1.00 70.12 O ATOM 1788 CB GLU A 122 17.079 7.665 8.855 1.00 55.41 C ATOM 1789 CG GLU A 122 16.838 7.676 10.358 1.00 3.22 C ATOM 1790 CD GLU A 122 18.072 7.219 11.126 1.00 13.14 C ATOM 1791 OE1 GLU A 122 19.181 7.781 10.915 1.00 33.10 O ATOM 1792 OE2 GLU A 122 17.980 6.270 11.915 1.00 2.31 O ATOM 0 H GLU A 122 18.187 7.436 6.675 1.00 15.20 H new ATOM 0 HA GLU A 122 18.192 5.861 9.049 1.00 61.32 H new ATOM 0 HB2 GLU A 122 17.833 8.414 8.613 1.00 55.41 H new ATOM 0 HB3 GLU A 122 16.161 7.962 8.348 1.00 55.41 H new ATOM 0 HG2 GLU A 122 16.562 8.682 10.676 1.00 3.22 H new ATOM 0 HG3 GLU A 122 15.998 7.025 10.597 1.00 3.22 H new ATOM 1799 N TYR A 123 15.823 5.337 6.867 1.00 4.01 N ATOM 1800 CA TYR A 123 14.756 4.430 6.512 1.00 44.23 C ATOM 1801 C TYR A 123 15.340 3.040 6.306 1.00 72.44 C ATOM 1802 O TYR A 123 14.800 2.051 6.790 1.00 21.31 O ATOM 1803 CB TYR A 123 14.025 4.920 5.240 1.00 41.02 C ATOM 1804 CG TYR A 123 13.106 3.890 4.602 1.00 12.44 C ATOM 1805 CD1 TYR A 123 11.833 3.646 5.100 1.00 51.21 C ATOM 1806 CD2 TYR A 123 13.535 3.149 3.506 1.00 62.41 C ATOM 1807 CE1 TYR A 123 11.014 2.693 4.518 1.00 34.34 C ATOM 1808 CE2 TYR A 123 12.729 2.200 2.927 1.00 31.42 C ATOM 1809 CZ TYR A 123 11.472 1.973 3.432 1.00 72.41 C ATOM 1810 OH TYR A 123 10.675 1.018 2.853 1.00 5.23 O ATOM 0 H TYR A 123 16.124 5.952 6.111 1.00 4.01 H new ATOM 0 HA TYR A 123 14.022 4.395 7.317 1.00 44.23 H new ATOM 0 HB2 TYR A 123 13.439 5.804 5.491 1.00 41.02 H new ATOM 0 HB3 TYR A 123 14.769 5.229 4.505 1.00 41.02 H new ATOM 0 HD1 TYR A 123 11.477 4.206 5.952 1.00 51.21 H new ATOM 0 HD2 TYR A 123 14.521 3.323 3.102 1.00 62.41 H new ATOM 0 HE1 TYR A 123 10.024 2.514 4.911 1.00 34.34 H new ATOM 0 HE2 TYR A 123 13.082 1.634 2.078 1.00 31.42 H new ATOM 0 HH TYR A 123 11.178 0.181 2.766 1.00 5.23 H new ATOM 1820 N VAL A 124 16.469 2.989 5.609 1.00 2.12 N ATOM 1821 CA VAL A 124 17.169 1.742 5.305 1.00 41.21 C ATOM 1822 C VAL A 124 17.468 0.964 6.586 1.00 24.11 C ATOM 1823 O VAL A 124 17.234 -0.238 6.655 1.00 53.14 O ATOM 1824 CB VAL A 124 18.494 2.003 4.531 1.00 51.40 C ATOM 1825 CG1 VAL A 124 19.209 0.703 4.227 1.00 51.04 C ATOM 1826 CG2 VAL A 124 18.222 2.753 3.239 1.00 61.15 C ATOM 0 H VAL A 124 16.930 3.818 5.235 1.00 2.12 H new ATOM 0 HA VAL A 124 16.511 1.150 4.669 1.00 41.21 H new ATOM 0 HB VAL A 124 19.135 2.614 5.167 1.00 51.40 H new ATOM 0 HG11 VAL A 124 20.132 0.913 3.686 1.00 51.04 H new ATOM 0 HG12 VAL A 124 19.444 0.190 5.160 1.00 51.04 H new ATOM 0 HG13 VAL A 124 18.567 0.069 3.616 1.00 51.04 H new ATOM 0 HG21 VAL A 124 19.161 2.925 2.714 1.00 61.15 H new ATOM 0 HG22 VAL A 124 17.557 2.163 2.609 1.00 61.15 H new ATOM 0 HG23 VAL A 124 17.752 3.710 3.466 1.00 61.15 H new ATOM 1836 N LYS A 125 17.918 1.677 7.610 1.00 61.43 N ATOM 1837 CA LYS A 125 18.238 1.071 8.901 1.00 30.52 C ATOM 1838 C LYS A 125 17.005 0.487 9.603 1.00 41.22 C ATOM 1839 O LYS A 125 17.135 -0.368 10.469 1.00 73.33 O ATOM 1840 CB LYS A 125 18.932 2.074 9.830 1.00 53.53 C ATOM 1841 CG LYS A 125 20.340 2.490 9.397 1.00 33.41 C ATOM 1842 CD LYS A 125 20.979 3.438 10.416 1.00 72.43 C ATOM 1843 CE LYS A 125 20.268 4.776 10.452 1.00 1.41 C ATOM 1844 NZ LYS A 125 20.743 5.665 11.540 1.00 1.10 N ATOM 0 H LYS A 125 18.072 2.685 7.573 1.00 61.43 H new ATOM 0 HA LYS A 125 18.919 0.248 8.686 1.00 30.52 H new ATOM 0 HB2 LYS A 125 18.312 2.967 9.903 1.00 53.53 H new ATOM 0 HB3 LYS A 125 18.988 1.642 10.829 1.00 53.53 H new ATOM 0 HG2 LYS A 125 20.964 1.604 9.281 1.00 33.41 H new ATOM 0 HG3 LYS A 125 20.294 2.977 8.423 1.00 33.41 H new ATOM 0 HD2 LYS A 125 20.950 2.983 11.406 1.00 72.43 H new ATOM 0 HD3 LYS A 125 22.029 3.589 10.165 1.00 72.43 H new ATOM 0 HE2 LYS A 125 20.407 5.279 9.495 1.00 1.41 H new ATOM 0 HE3 LYS A 125 19.198 4.608 10.571 1.00 1.41 H new ATOM 0 HZ1 LYS A 125 20.458 6.644 11.337 1.00 1.10 H new ATOM 0 HZ2 LYS A 125 20.325 5.362 12.443 1.00 1.10 H new ATOM 0 HZ3 LYS A 125 21.780 5.612 11.604 1.00 1.10 H new ATOM 1858 N ALA A 126 15.829 0.961 9.243 1.00 30.31 N ATOM 1859 CA ALA A 126 14.609 0.483 9.862 1.00 25.33 C ATOM 1860 C ALA A 126 13.899 -0.538 8.975 1.00 51.53 C ATOM 1861 O ALA A 126 13.063 -1.307 9.438 1.00 0.13 O ATOM 1862 CB ALA A 126 13.686 1.655 10.168 1.00 75.32 C ATOM 0 H ALA A 126 15.692 1.675 8.527 1.00 30.31 H new ATOM 0 HA ALA A 126 14.874 -0.015 10.795 1.00 25.33 H new ATOM 0 HB1 ALA A 126 12.772 1.286 10.633 1.00 75.32 H new ATOM 0 HB2 ALA A 126 14.186 2.344 10.848 1.00 75.32 H new ATOM 0 HB3 ALA A 126 13.438 2.174 9.242 1.00 75.32 H new ATOM 1868 N ASN A 127 14.219 -0.524 7.701 1.00 34.04 N ATOM 1869 CA ASN A 127 13.554 -1.393 6.743 1.00 30.34 C ATOM 1870 C ASN A 127 14.352 -2.658 6.450 1.00 53.00 C ATOM 1871 O ASN A 127 13.778 -3.742 6.357 1.00 14.34 O ATOM 1872 CB ASN A 127 13.247 -0.623 5.448 1.00 20.41 C ATOM 1873 CG ASN A 127 12.477 -1.424 4.383 1.00 23.54 C ATOM 1874 OD1 ASN A 127 12.626 -1.175 3.190 1.00 21.15 O ATOM 1875 ND2 ASN A 127 11.644 -2.355 4.790 1.00 10.12 N ATOM 0 H ASN A 127 14.936 0.079 7.299 1.00 34.04 H new ATOM 0 HA ASN A 127 12.616 -1.715 7.194 1.00 30.34 H new ATOM 0 HB2 ASN A 127 12.670 0.267 5.700 1.00 20.41 H new ATOM 0 HB3 ASN A 127 14.187 -0.281 5.015 1.00 20.41 H new ATOM 0 HD21 ASN A 127 11.104 -2.889 4.109 1.00 10.12 H new ATOM 0 HD22 ASN A 127 11.537 -2.544 5.787 1.00 10.12 H new ATOM 1882 N LEU A 128 15.655 -2.534 6.310 1.00 24.31 N ATOM 1883 CA LEU A 128 16.474 -3.687 5.988 1.00 63.12 C ATOM 1884 C LEU A 128 16.868 -4.418 7.261 1.00 1.34 C ATOM 1885 O LEU A 128 17.267 -3.794 8.238 1.00 74.12 O ATOM 1886 CB LEU A 128 17.731 -3.333 5.117 1.00 31.33 C ATOM 1887 CG LEU A 128 17.496 -2.943 3.626 1.00 35.31 C ATOM 1888 CD1 LEU A 128 16.553 -1.760 3.460 1.00 54.12 C ATOM 1889 CD2 LEU A 128 18.821 -2.645 2.966 1.00 40.44 C ATOM 0 H LEU A 128 16.167 -1.658 6.412 1.00 24.31 H new ATOM 0 HA LEU A 128 15.867 -4.348 5.370 1.00 63.12 H new ATOM 0 HB2 LEU A 128 18.252 -2.507 5.601 1.00 31.33 H new ATOM 0 HB3 LEU A 128 18.404 -4.190 5.137 1.00 31.33 H new ATOM 0 HG LEU A 128 17.016 -3.794 3.144 1.00 35.31 H new ATOM 0 HD11 LEU A 128 16.431 -1.538 2.400 1.00 54.12 H new ATOM 0 HD12 LEU A 128 15.583 -2.004 3.894 1.00 54.12 H new ATOM 0 HD13 LEU A 128 16.969 -0.889 3.967 1.00 54.12 H new ATOM 0 HD21 LEU A 128 18.655 -2.373 1.924 1.00 40.44 H new ATOM 0 HD22 LEU A 128 19.308 -1.819 3.484 1.00 40.44 H new ATOM 0 HD23 LEU A 128 19.458 -3.528 3.013 1.00 40.44 H new ATOM 1901 N PRO A 129 16.727 -5.746 7.282 1.00 61.11 N ATOM 1902 CA PRO A 129 17.062 -6.543 8.446 1.00 23.44 C ATOM 1903 C PRO A 129 18.567 -6.761 8.561 1.00 41.33 C ATOM 1904 O PRO A 129 19.330 -6.412 7.654 1.00 10.01 O ATOM 1905 CB PRO A 129 16.346 -7.869 8.181 1.00 74.51 C ATOM 1906 CG PRO A 129 16.300 -7.983 6.697 1.00 21.21 C ATOM 1907 CD PRO A 129 16.231 -6.575 6.167 1.00 34.40 C ATOM 0 HA PRO A 129 16.764 -6.066 9.380 1.00 23.44 H new ATOM 0 HB2 PRO A 129 16.884 -8.706 8.626 1.00 74.51 H new ATOM 0 HB3 PRO A 129 15.344 -7.871 8.610 1.00 74.51 H new ATOM 0 HG2 PRO A 129 17.183 -8.498 6.319 1.00 21.21 H new ATOM 0 HG3 PRO A 129 15.433 -8.561 6.378 1.00 21.21 H new ATOM 0 HD2 PRO A 129 16.847 -6.454 5.276 1.00 34.40 H new ATOM 0 HD3 PRO A 129 15.212 -6.303 5.890 1.00 34.40 H new ATOM 1915 N GLN A 130 18.989 -7.335 9.656 1.00 43.41 N ATOM 1916 CA GLN A 130 20.386 -7.586 9.878 1.00 33.21 C ATOM 1917 C GLN A 130 20.667 -9.063 9.692 1.00 73.14 C ATOM 1918 O GLN A 130 19.869 -9.906 10.102 1.00 11.22 O ATOM 1919 CB GLN A 130 20.805 -7.121 11.272 1.00 62.21 C ATOM 1920 CG GLN A 130 20.575 -5.633 11.507 1.00 21.22 C ATOM 1921 CD GLN A 130 21.033 -5.168 12.873 1.00 63.15 C ATOM 1922 OE1 GLN A 130 21.024 -5.915 13.835 1.00 62.32 O ATOM 1923 NE2 GLN A 130 21.424 -3.921 12.965 1.00 23.43 N ATOM 0 H GLN A 130 18.378 -7.640 10.414 1.00 43.41 H new ATOM 0 HA GLN A 130 20.971 -7.020 9.153 1.00 33.21 H new ATOM 0 HB2 GLN A 130 20.250 -7.689 12.019 1.00 62.21 H new ATOM 0 HB3 GLN A 130 21.861 -7.346 11.420 1.00 62.21 H new ATOM 0 HG2 GLN A 130 21.103 -5.065 10.741 1.00 21.22 H new ATOM 0 HG3 GLN A 130 19.514 -5.413 11.392 1.00 21.22 H new ATOM 0 HE21 GLN A 130 21.419 -3.323 12.139 1.00 23.43 H new ATOM 0 HE22 GLN A 130 21.734 -3.548 13.863 1.00 23.43 H new ATOM 1973 N GLY A 134 26.032 -6.141 9.281 1.00 43.03 N ATOM 1974 CA GLY A 134 25.236 -5.027 8.867 1.00 2.24 C ATOM 1975 C GLY A 134 23.834 -5.401 8.428 1.00 75.13 C ATOM 1976 O GLY A 134 23.222 -6.349 8.941 1.00 4.14 O ATOM 0 HA2 GLY A 134 25.170 -4.315 9.689 1.00 2.24 H new ATOM 0 HA3 GLY A 134 25.740 -4.519 8.045 1.00 2.24 H new ATOM 1980 N TYR A 135 23.337 -4.658 7.481 1.00 22.43 N ATOM 1981 CA TYR A 135 22.004 -4.813 6.970 1.00 53.50 C ATOM 1982 C TYR A 135 21.998 -5.665 5.715 1.00 25.10 C ATOM 1983 O TYR A 135 23.052 -5.955 5.138 1.00 22.55 O ATOM 1984 CB TYR A 135 21.395 -3.429 6.701 1.00 31.13 C ATOM 1985 CG TYR A 135 21.228 -2.602 7.958 1.00 74.14 C ATOM 1986 CD1 TYR A 135 20.093 -2.723 8.735 1.00 24.32 C ATOM 1987 CD2 TYR A 135 22.214 -1.716 8.374 1.00 14.52 C ATOM 1988 CE1 TYR A 135 19.936 -1.991 9.890 1.00 13.35 C ATOM 1989 CE2 TYR A 135 22.066 -0.976 9.528 1.00 75.33 C ATOM 1990 CZ TYR A 135 20.922 -1.118 10.282 1.00 44.42 C ATOM 1991 OH TYR A 135 20.775 -0.390 11.440 1.00 3.52 O ATOM 0 H TYR A 135 23.861 -3.908 7.031 1.00 22.43 H new ATOM 0 HA TYR A 135 21.397 -5.328 7.714 1.00 53.50 H new ATOM 0 HB2 TYR A 135 22.030 -2.889 5.999 1.00 31.13 H new ATOM 0 HB3 TYR A 135 20.424 -3.552 6.222 1.00 31.13 H new ATOM 0 HD1 TYR A 135 19.313 -3.405 8.431 1.00 24.32 H new ATOM 0 HD2 TYR A 135 23.111 -1.605 7.784 1.00 14.52 H new ATOM 0 HE1 TYR A 135 19.042 -2.102 10.485 1.00 13.35 H new ATOM 0 HE2 TYR A 135 22.841 -0.291 9.838 1.00 75.33 H new ATOM 0 HH TYR A 135 21.563 0.178 11.572 1.00 3.52 H new ATOM 2001 N ASP A 136 20.836 -6.090 5.320 1.00 24.13 N ATOM 2002 CA ASP A 136 20.675 -6.915 4.145 1.00 2.42 C ATOM 2003 C ASP A 136 20.110 -6.132 2.979 1.00 12.23 C ATOM 2004 O ASP A 136 18.904 -5.905 2.899 1.00 35.11 O ATOM 2005 CB ASP A 136 19.769 -8.107 4.439 1.00 31.11 C ATOM 2006 CG ASP A 136 19.562 -8.972 3.222 1.00 32.04 C ATOM 2007 OD1 ASP A 136 20.525 -9.154 2.460 1.00 72.10 O ATOM 2008 OD2 ASP A 136 18.431 -9.440 2.995 1.00 12.21 O ATOM 0 H ASP A 136 19.963 -5.877 5.802 1.00 24.13 H new ATOM 0 HA ASP A 136 21.668 -7.271 3.871 1.00 2.42 H new ATOM 0 HB2 ASP A 136 20.205 -8.705 5.239 1.00 31.11 H new ATOM 0 HB3 ASP A 136 18.804 -7.749 4.798 1.00 31.11 H new ATOM 2013 N TYR A 137 20.968 -5.733 2.050 1.00 61.00 N ATOM 2014 CA TYR A 137 20.503 -4.989 0.880 1.00 55.23 C ATOM 2015 C TYR A 137 19.705 -5.900 -0.039 1.00 24.01 C ATOM 2016 O TYR A 137 18.953 -5.438 -0.901 1.00 14.23 O ATOM 2017 CB TYR A 137 21.654 -4.306 0.108 1.00 3.02 C ATOM 2018 CG TYR A 137 22.617 -5.243 -0.595 1.00 3.02 C ATOM 2019 CD1 TYR A 137 22.380 -5.661 -1.905 1.00 31.32 C ATOM 2020 CD2 TYR A 137 23.757 -5.696 0.033 1.00 42.41 C ATOM 2021 CE1 TYR A 137 23.254 -6.503 -2.556 1.00 34.01 C ATOM 2022 CE2 TYR A 137 24.633 -6.537 -0.612 1.00 1.51 C ATOM 2023 CZ TYR A 137 24.381 -6.939 -1.904 1.00 41.23 C ATOM 2024 OH TYR A 137 25.266 -7.770 -2.547 1.00 22.12 O ATOM 0 H TYR A 137 21.973 -5.906 2.078 1.00 61.00 H new ATOM 0 HA TYR A 137 19.858 -4.190 1.245 1.00 55.23 H new ATOM 0 HB2 TYR A 137 21.222 -3.634 -0.634 1.00 3.02 H new ATOM 0 HB3 TYR A 137 22.220 -3.689 0.806 1.00 3.02 H new ATOM 0 HD1 TYR A 137 21.494 -5.318 -2.418 1.00 31.32 H new ATOM 0 HD2 TYR A 137 23.965 -5.386 1.046 1.00 42.41 H new ATOM 0 HE1 TYR A 137 23.055 -6.817 -3.570 1.00 34.01 H new ATOM 0 HE2 TYR A 137 25.521 -6.883 -0.104 1.00 1.51 H new ATOM 0 HH TYR A 137 26.010 -7.984 -1.946 1.00 22.12 H new ATOM 2034 N ALA A 138 19.837 -7.201 0.178 1.00 12.51 N ATOM 2035 CA ALA A 138 19.145 -8.166 -0.608 1.00 42.55 C ATOM 2036 C ALA A 138 17.699 -8.289 -0.145 1.00 13.44 C ATOM 2037 O ALA A 138 16.919 -9.011 -0.748 1.00 15.22 O ATOM 2038 CB ALA A 138 19.865 -9.511 -0.584 1.00 42.13 C ATOM 0 H ALA A 138 20.430 -7.599 0.907 1.00 12.51 H new ATOM 0 HA ALA A 138 19.135 -7.828 -1.644 1.00 42.55 H new ATOM 0 HB1 ALA A 138 19.315 -10.229 -1.192 1.00 42.13 H new ATOM 0 HB2 ALA A 138 20.872 -9.392 -0.985 1.00 42.13 H new ATOM 0 HB3 ALA A 138 19.923 -9.874 0.442 1.00 42.13 H new ATOM 2044 N ALA A 139 17.332 -7.555 0.921 1.00 22.43 N ATOM 2045 CA ALA A 139 15.945 -7.511 1.385 1.00 11.51 C ATOM 2046 C ALA A 139 15.078 -6.876 0.325 1.00 1.25 C ATOM 2047 O ALA A 139 13.941 -7.254 0.116 1.00 4.31 O ATOM 2048 CB ALA A 139 15.832 -6.723 2.668 1.00 61.23 C ATOM 0 H ALA A 139 17.978 -6.989 1.471 1.00 22.43 H new ATOM 0 HA ALA A 139 15.611 -8.531 1.575 1.00 11.51 H new ATOM 0 HB1 ALA A 139 14.792 -6.704 2.993 1.00 61.23 H new ATOM 0 HB2 ALA A 139 16.445 -7.192 3.438 1.00 61.23 H new ATOM 0 HB3 ALA A 139 16.178 -5.703 2.500 1.00 61.23 H new ATOM 2054 N TRP A 140 15.663 -5.936 -0.378 1.00 71.10 N ATOM 2055 CA TRP A 140 15.000 -5.240 -1.454 1.00 3.34 C ATOM 2056 C TRP A 140 14.762 -6.208 -2.633 1.00 64.34 C ATOM 2057 O TRP A 140 13.805 -6.084 -3.375 1.00 30.22 O ATOM 2058 CB TRP A 140 15.872 -4.029 -1.857 1.00 55.53 C ATOM 2059 CG TRP A 140 15.371 -3.241 -3.029 1.00 54.13 C ATOM 2060 CD1 TRP A 140 14.434 -2.251 -3.011 1.00 54.43 C ATOM 2061 CD2 TRP A 140 15.792 -3.375 -4.391 1.00 42.51 C ATOM 2062 NE1 TRP A 140 14.240 -1.765 -4.280 1.00 41.22 N ATOM 2063 CE2 TRP A 140 15.063 -2.444 -5.149 1.00 3.15 C ATOM 2064 CE3 TRP A 140 16.715 -4.200 -5.041 1.00 33.01 C ATOM 2065 CZ2 TRP A 140 15.232 -2.318 -6.528 1.00 63.54 C ATOM 2066 CZ3 TRP A 140 16.879 -4.072 -6.403 1.00 53.32 C ATOM 2067 CH2 TRP A 140 16.141 -3.138 -7.133 1.00 24.55 C ATOM 0 H TRP A 140 16.623 -5.630 -0.217 1.00 71.10 H new ATOM 0 HA TRP A 140 14.022 -4.874 -1.141 1.00 3.34 H new ATOM 0 HB2 TRP A 140 15.955 -3.361 -1.000 1.00 55.53 H new ATOM 0 HB3 TRP A 140 16.877 -4.385 -2.082 1.00 55.53 H new ATOM 0 HD1 TRP A 140 13.920 -1.901 -2.128 1.00 54.43 H new ATOM 0 HE1 TRP A 140 13.591 -1.021 -4.537 1.00 41.22 H new ATOM 0 HE3 TRP A 140 17.290 -4.926 -4.485 1.00 33.01 H new ATOM 0 HZ2 TRP A 140 14.664 -1.597 -7.097 1.00 63.54 H new ATOM 0 HZ3 TRP A 140 17.590 -4.704 -6.914 1.00 53.32 H new ATOM 0 HH2 TRP A 140 16.292 -3.062 -8.200 1.00 24.55 H new