USER MOD reduce.3.24.130724 H: found=0, std=0, add=824, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 824 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 52 HIS : +bothHN:sc= 1.04 K(o=2.9,f=-7.9!) USER MOD Set 1.2: A 95 CYS SG : rot -83:sc= 1.9 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 157:sc= 0.00697! (180deg=-0.511!) USER MOD Single : A 3 LYS NZ :NH3+ 161:sc= -0.121 (180deg=-0.507) USER MOD Single : A 5 GLN :FLIP amide:sc= 0 F(o=-0.89,f=0) USER MOD Single : A 12 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 17 LYS NZ :NH3+ -120:sc= 0.303 (180deg=-0.105) USER MOD Single : A 24 MET CE :methyl -172:sc= -0.404 (180deg=-0.505) USER MOD Single : A 25 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0875) USER MOD Single : A 27 MET CE :methyl 135:sc= -0.154 (180deg=-2.54!) USER MOD Single : A 29 ASN : amide:sc= 0.981 K(o=0.98,f=-0.0058) USER MOD Single : A 31 TYR OH : rot 180:sc= 0.0394 USER MOD Single : A 38 SER OG : rot 180:sc= -0.258 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ -165:sc= -0.0113 (180deg=-0.208) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ -177:sc= 0.624 (180deg=0.619) USER MOD Single : A 65 ASN : amide:sc= -1.48 K(o=-1.5,f=-6.6!) USER MOD Single : A 70 SER OG : rot 180:sc= -0.206 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 174:sc= 0.721 USER MOD Single : A 76 GLN : amide:sc= -0.265 K(o=-0.26,f=-3.3!) USER MOD Single : A 77 CYS SG : rot 54:sc= 0.206 USER MOD Single : A 83 THR OG1 : rot -67:sc= 0.0475 USER MOD Single : A 86 SER OG : rot -82:sc= 1.97 USER MOD Single : A 91 SER OG : rot 130:sc= -0.262 USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ -167:sc= 0.255 (180deg=0.194) USER MOD Single : A 99 HIS : no HD1:sc= -0.251 X(o=-0.25,f=-0.18) USER MOD Single : A 100 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 101 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 102 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 103 HIS : no HE2:sc= 0.465 K(o=0.47,f=-2.5!) USER MOD Single : A 104 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.953 5.299 -0.324 1.00 11.14 N ATOM 2 CA MET A 1 1.071 4.608 0.656 1.00 10.24 C ATOM 3 C MET A 1 1.203 3.081 0.539 1.00 75.42 C ATOM 4 O MET A 1 0.694 2.475 -0.404 1.00 63.25 O ATOM 5 CB MET A 1 -0.395 5.020 0.446 1.00 60.45 C ATOM 6 CG MET A 1 -0.630 6.521 0.539 1.00 32.05 C ATOM 7 SD MET A 1 0.276 7.439 -0.721 1.00 30.20 S ATOM 8 CE MET A 1 -0.274 9.114 -0.399 1.00 3.31 C ATOM 0 H1 MET A 1 1.586 6.255 -0.508 1.00 11.14 H new ATOM 0 H2 MET A 1 2.916 5.366 0.063 1.00 11.14 H new ATOM 0 H3 MET A 1 1.974 4.760 -1.213 1.00 11.14 H new ATOM 0 HA MET A 1 1.387 4.908 1.655 1.00 10.24 H new ATOM 0 HB2 MET A 1 -0.725 4.670 -0.532 1.00 60.45 H new ATOM 0 HB3 MET A 1 -1.014 4.518 1.190 1.00 60.45 H new ATOM 0 HG2 MET A 1 -1.696 6.726 0.438 1.00 32.05 H new ATOM 0 HG3 MET A 1 -0.330 6.872 1.526 1.00 32.05 H new ATOM 0 HE1 MET A 1 0.204 9.796 -1.103 1.00 3.31 H new ATOM 0 HE2 MET A 1 -1.356 9.171 -0.517 1.00 3.31 H new ATOM 0 HE3 MET A 1 -0.005 9.396 0.619 1.00 3.31 H new ATOM 20 N ALA A 2 1.896 2.463 1.489 1.00 75.34 N ATOM 21 CA ALA A 2 2.082 1.010 1.488 1.00 55.02 C ATOM 22 C ALA A 2 0.934 0.294 2.214 1.00 24.14 C ATOM 23 O ALA A 2 0.679 0.544 3.392 1.00 74.23 O ATOM 24 CB ALA A 2 3.418 0.655 2.130 1.00 50.15 C ATOM 0 H ALA A 2 2.340 2.943 2.272 1.00 75.34 H new ATOM 0 HA ALA A 2 2.080 0.671 0.452 1.00 55.02 H new ATOM 0 HB1 ALA A 2 3.548 -0.427 2.125 1.00 50.15 H new ATOM 0 HB2 ALA A 2 4.227 1.120 1.567 1.00 50.15 H new ATOM 0 HB3 ALA A 2 3.436 1.018 3.158 1.00 50.15 H new ATOM 30 N LYS A 3 0.235 -0.588 1.503 1.00 61.40 N ATOM 31 CA LYS A 3 -0.855 -1.376 2.098 1.00 44.00 C ATOM 32 C LYS A 3 -0.349 -2.734 2.617 1.00 64.13 C ATOM 33 O LYS A 3 -1.139 -3.619 2.947 1.00 21.14 O ATOM 34 CB LYS A 3 -1.996 -1.578 1.082 1.00 52.04 C ATOM 35 CG LYS A 3 -2.955 -0.393 0.978 1.00 21.12 C ATOM 36 CD LYS A 3 -2.253 0.890 0.545 1.00 14.25 C ATOM 37 CE LYS A 3 -3.182 2.094 0.633 1.00 55.25 C ATOM 38 NZ LYS A 3 -3.686 2.305 2.016 1.00 11.30 N ATOM 0 H LYS A 3 0.400 -0.779 0.515 1.00 61.40 H new ATOM 0 HA LYS A 3 -1.241 -0.816 2.950 1.00 44.00 H new ATOM 0 HB2 LYS A 3 -1.564 -1.769 0.100 1.00 52.04 H new ATOM 0 HB3 LYS A 3 -2.562 -2.467 1.360 1.00 52.04 H new ATOM 0 HG2 LYS A 3 -3.744 -0.630 0.265 1.00 21.12 H new ATOM 0 HG3 LYS A 3 -3.435 -0.233 1.943 1.00 21.12 H new ATOM 0 HD2 LYS A 3 -1.379 1.057 1.174 1.00 14.25 H new ATOM 0 HD3 LYS A 3 -1.893 0.781 -0.478 1.00 14.25 H new ATOM 0 HE2 LYS A 3 -2.652 2.986 0.299 1.00 55.25 H new ATOM 0 HE3 LYS A 3 -4.025 1.952 -0.043 1.00 55.25 H new ATOM 0 HZ1 LYS A 3 -4.037 3.279 2.113 1.00 11.30 H new ATOM 0 HZ2 LYS A 3 -4.460 1.638 2.209 1.00 11.30 H new ATOM 0 HZ3 LYS A 3 -2.914 2.146 2.695 1.00 11.30 H new ATOM 52 N ALA A 4 0.971 -2.891 2.677 1.00 10.25 N ATOM 53 CA ALA A 4 1.596 -4.081 3.267 1.00 14.03 C ATOM 54 C ALA A 4 2.429 -3.690 4.497 1.00 42.51 C ATOM 55 O ALA A 4 3.657 -3.597 4.437 1.00 75.01 O ATOM 56 CB ALA A 4 2.455 -4.803 2.230 1.00 60.24 C ATOM 0 H ALA A 4 1.637 -2.205 2.322 1.00 10.25 H new ATOM 0 HA ALA A 4 0.812 -4.766 3.590 1.00 14.03 H new ATOM 0 HB1 ALA A 4 2.911 -5.683 2.684 1.00 60.24 H new ATOM 0 HB2 ALA A 4 1.831 -5.110 1.391 1.00 60.24 H new ATOM 0 HB3 ALA A 4 3.237 -4.132 1.874 1.00 60.24 H new ATOM 62 N GLN A 5 1.745 -3.430 5.608 1.00 62.23 N ATOM 63 CA GLN A 5 2.390 -2.918 6.822 1.00 30.22 C ATOM 64 C GLN A 5 2.889 -4.057 7.732 1.00 60.33 C ATOM 65 O GLN A 5 2.356 -5.171 7.697 1.00 14.22 O ATOM 66 CB GLN A 5 1.408 -2.008 7.579 1.00 44.25 C ATOM 67 CG GLN A 5 0.887 -0.841 6.736 1.00 12.51 C ATOM 68 CD GLN A 5 -0.055 0.084 7.492 1.00 54.41 C ATOM 69 OE1 GLN A 5 0.174 0.251 8.777 1.00 71.11 O flip ATOM 70 NE2 GLN A 5 -0.968 0.666 6.914 1.00 31.43 N flip ATOM 0 H GLN A 5 0.738 -3.565 5.696 1.00 62.23 H new ATOM 0 HA GLN A 5 3.266 -2.341 6.526 1.00 30.22 H new ATOM 0 HB2 GLN A 5 0.563 -2.604 7.922 1.00 44.25 H new ATOM 0 HB3 GLN A 5 1.901 -1.613 8.467 1.00 44.25 H new ATOM 0 HG2 GLN A 5 1.735 -0.262 6.369 1.00 12.51 H new ATOM 0 HG3 GLN A 5 0.370 -1.237 5.862 1.00 12.51 H new ATOM 0 HE21 GLN A 5 -1.119 0.515 5.917 1.00 31.43 H new ATOM 0 HE22 GLN A 5 -1.576 1.301 7.431 1.00 31.43 H new ATOM 79 N PRO A 6 3.926 -3.792 8.558 1.00 23.14 N ATOM 80 CA PRO A 6 4.495 -4.800 9.477 1.00 61.41 C ATOM 81 C PRO A 6 3.510 -5.257 10.573 1.00 2.25 C ATOM 82 O PRO A 6 2.395 -4.738 10.691 1.00 22.50 O ATOM 83 CB PRO A 6 5.704 -4.076 10.096 1.00 61.32 C ATOM 84 CG PRO A 6 5.395 -2.624 9.950 1.00 50.15 C ATOM 85 CD PRO A 6 4.637 -2.501 8.657 1.00 63.12 C ATOM 0 HA PRO A 6 4.750 -5.719 8.950 1.00 61.41 H new ATOM 0 HB2 PRO A 6 5.835 -4.349 11.143 1.00 61.32 H new ATOM 0 HB3 PRO A 6 6.628 -4.337 9.580 1.00 61.32 H new ATOM 0 HG2 PRO A 6 4.800 -2.263 10.789 1.00 50.15 H new ATOM 0 HG3 PRO A 6 6.308 -2.029 9.927 1.00 50.15 H new ATOM 0 HD2 PRO A 6 3.944 -1.660 8.675 1.00 63.12 H new ATOM 0 HD3 PRO A 6 5.306 -2.344 7.811 1.00 63.12 H new ATOM 93 N ILE A 7 3.937 -6.226 11.382 1.00 24.31 N ATOM 94 CA ILE A 7 3.077 -6.818 12.412 1.00 41.23 C ATOM 95 C ILE A 7 3.255 -6.109 13.765 1.00 61.52 C ATOM 96 O ILE A 7 4.239 -6.326 14.464 1.00 41.43 O ATOM 97 CB ILE A 7 3.357 -8.343 12.593 1.00 23.21 C ATOM 98 CG1 ILE A 7 3.074 -9.132 11.294 1.00 14.22 C ATOM 99 CG2 ILE A 7 2.531 -8.911 13.748 1.00 5.51 C ATOM 100 CD1 ILE A 7 4.087 -8.904 10.187 1.00 54.20 C ATOM 0 H ILE A 7 4.877 -6.621 11.345 1.00 24.31 H new ATOM 0 HA ILE A 7 2.050 -6.687 12.070 1.00 41.23 H new ATOM 0 HB ILE A 7 4.415 -8.455 12.829 1.00 23.21 H new ATOM 0 HG12 ILE A 7 3.045 -10.196 11.529 1.00 14.22 H new ATOM 0 HG13 ILE A 7 2.085 -8.859 10.926 1.00 14.22 H new ATOM 0 HG21 ILE A 7 2.741 -9.975 13.857 1.00 5.51 H new ATOM 0 HG22 ILE A 7 2.792 -8.393 14.671 1.00 5.51 H new ATOM 0 HG23 ILE A 7 1.470 -8.770 13.540 1.00 5.51 H new ATOM 0 HD11 ILE A 7 3.811 -9.496 9.314 1.00 54.20 H new ATOM 0 HD12 ILE A 7 4.102 -7.847 9.919 1.00 54.20 H new ATOM 0 HD13 ILE A 7 5.076 -9.205 10.532 1.00 54.20 H new ATOM 112 N GLU A 8 2.305 -5.246 14.120 1.00 3.03 N ATOM 113 CA GLU A 8 2.335 -4.550 15.416 1.00 52.14 C ATOM 114 C GLU A 8 1.170 -5.027 16.298 1.00 1.21 C ATOM 115 O GLU A 8 -0.001 -4.759 16.007 1.00 23.11 O ATOM 116 CB GLU A 8 2.278 -3.023 15.205 1.00 32.25 C ATOM 117 CG GLU A 8 2.784 -2.193 16.393 1.00 4.54 C ATOM 118 CD GLU A 8 1.833 -2.155 17.585 1.00 51.22 C ATOM 119 OE1 GLU A 8 1.928 -3.033 18.463 1.00 74.01 O ATOM 120 OE2 GLU A 8 0.998 -1.226 17.655 1.00 52.40 O ATOM 0 H GLU A 8 1.505 -5.009 13.534 1.00 3.03 H new ATOM 0 HA GLU A 8 3.269 -4.787 15.925 1.00 52.14 H new ATOM 0 HB2 GLU A 8 2.868 -2.769 14.324 1.00 32.25 H new ATOM 0 HB3 GLU A 8 1.248 -2.737 14.992 1.00 32.25 H new ATOM 0 HG2 GLU A 8 3.742 -2.596 16.721 1.00 4.54 H new ATOM 0 HG3 GLU A 8 2.966 -1.172 16.056 1.00 4.54 H new ATOM 127 N ILE A 9 1.502 -5.740 17.375 1.00 3.21 N ATOM 128 CA ILE A 9 0.499 -6.345 18.257 1.00 64.24 C ATOM 129 C ILE A 9 0.678 -5.901 19.722 1.00 62.24 C ATOM 130 O ILE A 9 1.704 -6.180 20.348 1.00 53.35 O ATOM 131 CB ILE A 9 0.564 -7.894 18.182 1.00 33.33 C ATOM 132 CG1 ILE A 9 0.312 -8.371 16.741 1.00 1.33 C ATOM 133 CG2 ILE A 9 -0.440 -8.533 19.143 1.00 53.11 C ATOM 134 CD1 ILE A 9 0.406 -9.874 16.564 1.00 3.25 C ATOM 0 H ILE A 9 2.466 -5.914 17.660 1.00 3.21 H new ATOM 0 HA ILE A 9 -0.475 -6.001 17.909 1.00 64.24 H new ATOM 0 HB ILE A 9 1.564 -8.207 18.483 1.00 33.33 H new ATOM 0 HG12 ILE A 9 -0.678 -8.040 16.427 1.00 1.33 H new ATOM 0 HG13 ILE A 9 1.033 -7.892 16.079 1.00 1.33 H new ATOM 0 HG21 ILE A 9 -0.373 -9.619 19.070 1.00 53.11 H new ATOM 0 HG22 ILE A 9 -0.215 -8.223 20.164 1.00 53.11 H new ATOM 0 HG23 ILE A 9 -1.449 -8.213 18.881 1.00 53.11 H new ATOM 0 HD11 ILE A 9 0.216 -10.130 15.522 1.00 3.25 H new ATOM 0 HD12 ILE A 9 1.404 -10.212 16.845 1.00 3.25 H new ATOM 0 HD13 ILE A 9 -0.334 -10.362 17.198 1.00 3.25 H new ATOM 146 N ALA A 10 -0.324 -5.190 20.249 1.00 33.00 N ATOM 147 CA ALA A 10 -0.379 -4.819 21.676 1.00 15.51 C ATOM 148 C ALA A 10 0.840 -3.992 22.142 1.00 12.50 C ATOM 149 O ALA A 10 1.185 -3.990 23.329 1.00 14.45 O ATOM 150 CB ALA A 10 -0.528 -6.075 22.532 1.00 42.01 C ATOM 0 H ALA A 10 -1.119 -4.854 19.705 1.00 33.00 H new ATOM 0 HA ALA A 10 -1.250 -4.175 21.802 1.00 15.51 H new ATOM 0 HB1 ALA A 10 -0.568 -5.795 23.585 1.00 42.01 H new ATOM 0 HB2 ALA A 10 -1.447 -6.594 22.259 1.00 42.01 H new ATOM 0 HB3 ALA A 10 0.324 -6.733 22.364 1.00 42.01 H new ATOM 156 N GLY A 11 1.477 -3.278 21.220 1.00 41.44 N ATOM 157 CA GLY A 11 2.621 -2.437 21.572 1.00 61.00 C ATOM 158 C GLY A 11 3.955 -3.005 21.097 1.00 14.12 C ATOM 159 O GLY A 11 5.005 -2.380 21.278 1.00 62.32 O ATOM 0 H GLY A 11 1.226 -3.263 20.232 1.00 41.44 H new ATOM 0 HA2 GLY A 11 2.481 -1.446 21.140 1.00 61.00 H new ATOM 0 HA3 GLY A 11 2.652 -2.312 22.654 1.00 61.00 H new ATOM 163 N HIS A 12 3.924 -4.187 20.486 1.00 41.10 N ATOM 164 CA HIS A 12 5.140 -4.837 19.985 1.00 13.24 C ATOM 165 C HIS A 12 5.161 -4.867 18.450 1.00 30.51 C ATOM 166 O HIS A 12 4.364 -5.561 17.817 1.00 12.34 O ATOM 167 CB HIS A 12 5.254 -6.257 20.550 1.00 13.21 C ATOM 168 CG HIS A 12 5.353 -6.291 22.045 1.00 53.12 C ATOM 169 ND1 HIS A 12 6.551 -6.280 22.722 1.00 12.40 N ATOM 170 CD2 HIS A 12 4.390 -6.327 22.998 1.00 31.52 C ATOM 171 CE1 HIS A 12 6.325 -6.300 24.019 1.00 41.20 C ATOM 172 NE2 HIS A 12 5.023 -6.330 24.217 1.00 1.44 N ATOM 0 H HIS A 12 3.069 -4.718 20.324 1.00 41.10 H new ATOM 0 HA HIS A 12 5.998 -4.254 20.320 1.00 13.24 H new ATOM 0 HB2 HIS A 12 4.386 -6.837 20.236 1.00 13.21 H new ATOM 0 HB3 HIS A 12 6.132 -6.742 20.123 1.00 13.21 H new ATOM 0 HD2 HIS A 12 3.323 -6.349 22.830 1.00 31.52 H new ATOM 0 HE1 HIS A 12 7.080 -6.293 24.791 1.00 41.20 H new ATOM 0 HE2 HIS A 12 4.561 -6.352 25.126 1.00 1.44 H new ATOM 181 N GLU A 13 6.083 -4.107 17.864 1.00 54.12 N ATOM 182 CA GLU A 13 6.207 -4.006 16.408 1.00 55.12 C ATOM 183 C GLU A 13 7.211 -5.032 15.856 1.00 42.34 C ATOM 184 O GLU A 13 8.316 -5.196 16.390 1.00 10.34 O ATOM 185 CB GLU A 13 6.624 -2.580 16.013 1.00 41.45 C ATOM 186 CG GLU A 13 7.910 -2.105 16.681 1.00 12.23 C ATOM 187 CD GLU A 13 8.299 -0.692 16.276 1.00 35.01 C ATOM 188 OE1 GLU A 13 9.015 -0.536 15.265 1.00 4.14 O ATOM 189 OE2 GLU A 13 7.899 0.267 16.972 1.00 50.02 O ATOM 0 H GLU A 13 6.762 -3.546 18.379 1.00 54.12 H new ATOM 0 HA GLU A 13 5.234 -4.228 15.970 1.00 55.12 H new ATOM 0 HB2 GLU A 13 6.750 -2.535 14.931 1.00 41.45 H new ATOM 0 HB3 GLU A 13 5.818 -1.892 16.269 1.00 41.45 H new ATOM 0 HG2 GLU A 13 7.788 -2.147 17.763 1.00 12.23 H new ATOM 0 HG3 GLU A 13 8.720 -2.787 16.425 1.00 12.23 H new ATOM 196 N PHE A 14 6.813 -5.726 14.795 1.00 63.01 N ATOM 197 CA PHE A 14 7.643 -6.759 14.169 1.00 31.31 C ATOM 198 C PHE A 14 7.741 -6.544 12.650 1.00 44.43 C ATOM 199 O PHE A 14 6.727 -6.381 11.969 1.00 21.44 O ATOM 200 CB PHE A 14 7.055 -8.146 14.456 1.00 3.24 C ATOM 201 CG PHE A 14 6.890 -8.453 15.929 1.00 34.04 C ATOM 202 CD1 PHE A 14 7.993 -8.737 16.725 1.00 34.45 C ATOM 203 CD2 PHE A 14 5.631 -8.461 16.516 1.00 14.14 C ATOM 204 CE1 PHE A 14 7.844 -9.022 18.069 1.00 52.14 C ATOM 205 CE2 PHE A 14 5.478 -8.744 17.859 1.00 71.40 C ATOM 206 CZ PHE A 14 6.585 -9.025 18.636 1.00 70.13 C ATOM 0 H PHE A 14 5.909 -5.592 14.343 1.00 63.01 H new ATOM 0 HA PHE A 14 8.645 -6.691 14.592 1.00 31.31 H new ATOM 0 HB2 PHE A 14 6.084 -8.225 13.968 1.00 3.24 H new ATOM 0 HB3 PHE A 14 7.700 -8.902 14.008 1.00 3.24 H new ATOM 0 HD1 PHE A 14 8.980 -8.735 16.287 1.00 34.45 H new ATOM 0 HD2 PHE A 14 4.761 -8.243 15.914 1.00 14.14 H new ATOM 0 HE1 PHE A 14 8.711 -9.242 18.675 1.00 52.14 H new ATOM 0 HE2 PHE A 14 4.493 -8.746 18.302 1.00 71.40 H new ATOM 0 HZ PHE A 14 6.466 -9.247 19.686 1.00 70.13 H new ATOM 216 N ALA A 15 8.965 -6.558 12.122 1.00 54.00 N ATOM 217 CA ALA A 15 9.202 -6.317 10.690 1.00 12.13 C ATOM 218 C ALA A 15 8.691 -7.474 9.815 1.00 31.22 C ATOM 219 O ALA A 15 8.172 -7.257 8.718 1.00 74.40 O ATOM 220 CB ALA A 15 10.687 -6.079 10.436 1.00 73.20 C ATOM 0 H ALA A 15 9.812 -6.734 12.662 1.00 54.00 H new ATOM 0 HA ALA A 15 8.639 -5.426 10.411 1.00 12.13 H new ATOM 0 HB1 ALA A 15 10.850 -5.902 9.373 1.00 73.20 H new ATOM 0 HB2 ALA A 15 11.019 -5.210 11.004 1.00 73.20 H new ATOM 0 HB3 ALA A 15 11.255 -6.955 10.749 1.00 73.20 H new ATOM 226 N ARG A 16 8.842 -8.702 10.305 1.00 61.32 N ATOM 227 CA ARG A 16 8.414 -9.896 9.560 1.00 12.31 C ATOM 228 C ARG A 16 7.469 -10.777 10.395 1.00 70.21 C ATOM 229 O ARG A 16 7.251 -10.532 11.582 1.00 13.13 O ATOM 230 CB ARG A 16 9.643 -10.706 9.120 1.00 62.51 C ATOM 231 CG ARG A 16 10.540 -11.110 10.282 1.00 55.33 C ATOM 232 CD ARG A 16 11.821 -11.795 9.828 1.00 1.33 C ATOM 233 NE ARG A 16 12.752 -11.973 10.940 1.00 52.25 N ATOM 234 CZ ARG A 16 14.044 -12.102 10.801 1.00 33.24 C ATOM 235 NH1 ARG A 16 14.580 -12.146 9.624 1.00 65.41 N ATOM 236 NH2 ARG A 16 14.798 -12.199 11.844 1.00 32.52 N ATOM 0 H ARG A 16 9.257 -8.902 11.215 1.00 61.32 H new ATOM 0 HA ARG A 16 7.864 -9.563 8.680 1.00 12.31 H new ATOM 0 HB2 ARG A 16 9.311 -11.603 8.596 1.00 62.51 H new ATOM 0 HB3 ARG A 16 10.223 -10.118 8.409 1.00 62.51 H new ATOM 0 HG2 ARG A 16 10.794 -10.224 10.864 1.00 55.33 H new ATOM 0 HG3 ARG A 16 9.990 -11.779 10.944 1.00 55.33 H new ATOM 0 HD2 ARG A 16 11.582 -12.765 9.392 1.00 1.33 H new ATOM 0 HD3 ARG A 16 12.295 -11.202 9.046 1.00 1.33 H new ATOM 0 HE ARG A 16 12.368 -11.998 11.885 1.00 52.25 H new ATOM 0 HH11 ARG A 16 13.992 -12.080 8.793 1.00 65.41 H new ATOM 0 HH12 ARG A 16 15.590 -12.247 9.527 1.00 65.41 H new ATOM 0 HH21 ARG A 16 14.385 -12.175 12.776 1.00 32.52 H new ATOM 0 HH22 ARG A 16 15.807 -12.300 11.736 1.00 32.52 H new ATOM 250 N LYS A 17 6.923 -11.813 9.765 1.00 10.43 N ATOM 251 CA LYS A 17 5.956 -12.708 10.417 1.00 24.43 C ATOM 252 C LYS A 17 6.644 -13.607 11.459 1.00 54.20 C ATOM 253 O LYS A 17 6.129 -13.811 12.562 1.00 11.53 O ATOM 254 CB LYS A 17 5.251 -13.578 9.352 1.00 21.35 C ATOM 255 CG LYS A 17 3.729 -13.679 9.490 1.00 12.52 C ATOM 256 CD LYS A 17 3.278 -14.156 10.874 1.00 42.11 C ATOM 257 CE LYS A 17 1.843 -14.688 10.856 1.00 40.10 C ATOM 258 NZ LYS A 17 0.893 -13.758 10.185 1.00 35.23 N ATOM 0 H LYS A 17 7.132 -12.059 8.797 1.00 10.43 H new ATOM 0 HA LYS A 17 5.218 -12.095 10.935 1.00 24.43 H new ATOM 0 HB2 LYS A 17 5.484 -13.175 8.366 1.00 21.35 H new ATOM 0 HB3 LYS A 17 5.670 -14.583 9.393 1.00 21.35 H new ATOM 0 HG2 LYS A 17 3.287 -12.703 9.287 1.00 12.52 H new ATOM 0 HG3 LYS A 17 3.347 -14.365 8.734 1.00 12.52 H new ATOM 0 HD2 LYS A 17 3.951 -14.939 11.225 1.00 42.11 H new ATOM 0 HD3 LYS A 17 3.350 -13.332 11.583 1.00 42.11 H new ATOM 0 HE2 LYS A 17 1.823 -15.651 10.346 1.00 40.10 H new ATOM 0 HE3 LYS A 17 1.512 -14.863 11.880 1.00 40.10 H new ATOM 0 HZ1 LYS A 17 0.153 -13.472 10.858 1.00 35.23 H new ATOM 0 HZ2 LYS A 17 1.406 -12.915 9.856 1.00 35.23 H new ATOM 0 HZ3 LYS A 17 0.455 -14.236 9.372 1.00 35.23 H new ATOM 272 N ALA A 18 7.809 -14.144 11.091 1.00 30.43 N ATOM 273 CA ALA A 18 8.586 -15.023 11.974 1.00 65.15 C ATOM 274 C ALA A 18 8.888 -14.362 13.328 1.00 1.21 C ATOM 275 O ALA A 18 9.036 -15.045 14.342 1.00 23.05 O ATOM 276 CB ALA A 18 9.882 -15.437 11.284 1.00 1.41 C ATOM 0 H ALA A 18 8.240 -13.985 10.180 1.00 30.43 H new ATOM 0 HA ALA A 18 7.982 -15.908 12.176 1.00 65.15 H new ATOM 0 HB1 ALA A 18 10.454 -16.089 11.944 1.00 1.41 H new ATOM 0 HB2 ALA A 18 9.649 -15.969 10.362 1.00 1.41 H new ATOM 0 HB3 ALA A 18 10.470 -14.549 11.052 1.00 1.41 H new ATOM 282 N ASP A 19 8.969 -13.033 13.330 1.00 43.11 N ATOM 283 CA ASP A 19 9.209 -12.262 14.553 1.00 62.21 C ATOM 284 C ASP A 19 8.087 -12.466 15.585 1.00 64.34 C ATOM 285 O ASP A 19 8.339 -12.883 16.719 1.00 14.02 O ATOM 286 CB ASP A 19 9.326 -10.776 14.206 1.00 22.21 C ATOM 287 CG ASP A 19 10.626 -10.414 13.510 1.00 52.04 C ATOM 288 OD1 ASP A 19 11.586 -11.214 13.554 1.00 31.41 O ATOM 289 OD2 ASP A 19 10.696 -9.314 12.925 1.00 31.34 O ATOM 0 H ASP A 19 8.871 -12.461 12.491 1.00 43.11 H new ATOM 0 HA ASP A 19 10.139 -12.617 14.997 1.00 62.21 H new ATOM 0 HB2 ASP A 19 8.490 -10.494 13.566 1.00 22.21 H new ATOM 0 HB3 ASP A 19 9.238 -10.190 15.121 1.00 22.21 H new ATOM 294 N ALA A 20 6.851 -12.158 15.186 1.00 34.43 N ATOM 295 CA ALA A 20 5.685 -12.324 16.063 1.00 5.02 C ATOM 296 C ALA A 20 5.554 -13.772 16.549 1.00 1.35 C ATOM 297 O ALA A 20 5.274 -14.027 17.723 1.00 22.32 O ATOM 298 CB ALA A 20 4.414 -11.892 15.340 1.00 14.32 C ATOM 0 H ALA A 20 6.629 -11.792 14.260 1.00 34.43 H new ATOM 0 HA ALA A 20 5.830 -11.689 16.937 1.00 5.02 H new ATOM 0 HB1 ALA A 20 3.557 -12.020 16.002 1.00 14.32 H new ATOM 0 HB2 ALA A 20 4.497 -10.844 15.053 1.00 14.32 H new ATOM 0 HB3 ALA A 20 4.278 -12.503 14.447 1.00 14.32 H new ATOM 304 N LEU A 21 5.766 -14.716 15.635 1.00 14.02 N ATOM 305 CA LEU A 21 5.724 -16.141 15.971 1.00 31.22 C ATOM 306 C LEU A 21 6.793 -16.497 17.013 1.00 22.14 C ATOM 307 O LEU A 21 6.534 -17.247 17.955 1.00 14.54 O ATOM 308 CB LEU A 21 5.925 -16.991 14.712 1.00 54.23 C ATOM 309 CG LEU A 21 4.892 -16.768 13.594 1.00 24.24 C ATOM 310 CD1 LEU A 21 5.170 -17.690 12.409 1.00 71.13 C ATOM 311 CD2 LEU A 21 3.471 -16.968 14.121 1.00 33.33 C ATOM 0 H LEU A 21 5.969 -14.522 14.654 1.00 14.02 H new ATOM 0 HA LEU A 21 4.744 -16.354 16.397 1.00 31.22 H new ATOM 0 HB2 LEU A 21 6.918 -16.788 14.312 1.00 54.23 H new ATOM 0 HB3 LEU A 21 5.905 -18.043 14.997 1.00 54.23 H new ATOM 0 HG LEU A 21 4.981 -15.738 13.248 1.00 24.24 H new ATOM 0 HD11 LEU A 21 4.428 -17.515 11.630 1.00 71.13 H new ATOM 0 HD12 LEU A 21 6.165 -17.485 12.014 1.00 71.13 H new ATOM 0 HD13 LEU A 21 5.116 -18.729 12.736 1.00 71.13 H new ATOM 0 HD21 LEU A 21 2.757 -16.805 13.313 1.00 33.33 H new ATOM 0 HD22 LEU A 21 3.364 -17.984 14.501 1.00 33.33 H new ATOM 0 HD23 LEU A 21 3.278 -16.258 14.925 1.00 33.33 H new ATOM 323 N ALA A 22 7.997 -15.953 16.835 1.00 31.04 N ATOM 324 CA ALA A 22 9.098 -16.177 17.773 1.00 33.22 C ATOM 325 C ALA A 22 8.757 -15.642 19.171 1.00 35.55 C ATOM 326 O ALA A 22 8.953 -16.333 20.169 1.00 1.03 O ATOM 327 CB ALA A 22 10.373 -15.526 17.250 1.00 51.10 C ATOM 0 H ALA A 22 8.235 -15.352 16.046 1.00 31.04 H new ATOM 0 HA ALA A 22 9.258 -17.252 17.858 1.00 33.22 H new ATOM 0 HB1 ALA A 22 11.186 -15.699 17.956 1.00 51.10 H new ATOM 0 HB2 ALA A 22 10.633 -15.959 16.284 1.00 51.10 H new ATOM 0 HB3 ALA A 22 10.214 -14.454 17.136 1.00 51.10 H new ATOM 333 N PHE A 23 8.235 -14.415 19.229 1.00 64.21 N ATOM 334 CA PHE A 23 7.843 -13.789 20.501 1.00 62.43 C ATOM 335 C PHE A 23 6.876 -14.688 21.291 1.00 12.21 C ATOM 336 O PHE A 23 7.094 -14.974 22.472 1.00 32.41 O ATOM 337 CB PHE A 23 7.194 -12.420 20.237 1.00 61.44 C ATOM 338 CG PHE A 23 6.850 -11.646 21.490 1.00 32.55 C ATOM 339 CD1 PHE A 23 7.791 -10.822 22.094 1.00 11.14 C ATOM 340 CD2 PHE A 23 5.584 -11.733 22.057 1.00 33.14 C ATOM 341 CE1 PHE A 23 7.476 -10.104 23.234 1.00 2.34 C ATOM 342 CE2 PHE A 23 5.268 -11.018 23.198 1.00 13.44 C ATOM 343 CZ PHE A 23 6.214 -10.202 23.785 1.00 35.41 C ATOM 0 H PHE A 23 8.072 -13.831 18.409 1.00 64.21 H new ATOM 0 HA PHE A 23 8.743 -13.652 21.101 1.00 62.43 H new ATOM 0 HB2 PHE A 23 7.871 -11.821 19.627 1.00 61.44 H new ATOM 0 HB3 PHE A 23 6.285 -12.568 19.653 1.00 61.44 H new ATOM 0 HD1 PHE A 23 8.780 -10.741 21.669 1.00 11.14 H new ATOM 0 HD2 PHE A 23 4.838 -12.367 21.601 1.00 33.14 H new ATOM 0 HE1 PHE A 23 8.217 -9.467 23.693 1.00 2.34 H new ATOM 0 HE2 PHE A 23 4.281 -11.098 23.630 1.00 13.44 H new ATOM 0 HZ PHE A 23 5.967 -9.641 24.674 1.00 35.41 H new ATOM 353 N MET A 24 5.813 -15.137 20.627 1.00 65.35 N ATOM 354 CA MET A 24 4.842 -16.041 21.249 1.00 52.35 C ATOM 355 C MET A 24 5.470 -17.402 21.580 1.00 61.10 C ATOM 356 O MET A 24 5.200 -17.980 22.632 1.00 72.43 O ATOM 357 CB MET A 24 3.624 -16.230 20.335 1.00 32.50 C ATOM 358 CG MET A 24 2.786 -14.972 20.166 1.00 32.12 C ATOM 359 SD MET A 24 1.344 -15.225 19.113 1.00 12.05 S ATOM 360 CE MET A 24 2.119 -15.526 17.526 1.00 71.21 C ATOM 0 H MET A 24 5.600 -14.891 19.660 1.00 65.35 H new ATOM 0 HA MET A 24 4.519 -15.584 22.184 1.00 52.35 H new ATOM 0 HB2 MET A 24 3.965 -16.564 19.355 1.00 32.50 H new ATOM 0 HB3 MET A 24 2.996 -17.023 20.741 1.00 32.50 H new ATOM 0 HG2 MET A 24 2.458 -14.626 21.146 1.00 32.12 H new ATOM 0 HG3 MET A 24 3.406 -14.183 19.741 1.00 32.12 H new ATOM 0 HE1 MET A 24 1.356 -15.559 16.749 1.00 71.21 H new ATOM 0 HE2 MET A 24 2.825 -14.725 17.308 1.00 71.21 H new ATOM 0 HE3 MET A 24 2.649 -16.478 17.554 1.00 71.21 H new ATOM 370 N LYS A 25 6.316 -17.903 20.682 1.00 13.42 N ATOM 371 CA LYS A 25 6.983 -19.196 20.873 1.00 33.02 C ATOM 372 C LYS A 25 7.894 -19.196 22.119 1.00 63.10 C ATOM 373 O LYS A 25 7.976 -20.201 22.830 1.00 21.12 O ATOM 374 CB LYS A 25 7.784 -19.557 19.611 1.00 13.15 C ATOM 375 CG LYS A 25 8.617 -20.830 19.731 1.00 34.20 C ATOM 376 CD LYS A 25 9.305 -21.184 18.411 1.00 41.11 C ATOM 377 CE LYS A 25 10.440 -22.187 18.606 1.00 42.43 C ATOM 378 NZ LYS A 25 10.016 -23.388 19.375 1.00 71.44 N ATOM 0 H LYS A 25 6.559 -17.433 19.810 1.00 13.42 H new ATOM 0 HA LYS A 25 6.216 -19.952 21.041 1.00 33.02 H new ATOM 0 HB2 LYS A 25 7.092 -19.669 18.777 1.00 13.15 H new ATOM 0 HB3 LYS A 25 8.446 -18.726 19.367 1.00 13.15 H new ATOM 0 HG2 LYS A 25 9.369 -20.701 20.510 1.00 34.20 H new ATOM 0 HG3 LYS A 25 7.977 -21.656 20.040 1.00 34.20 H new ATOM 0 HD2 LYS A 25 8.571 -21.598 17.720 1.00 41.11 H new ATOM 0 HD3 LYS A 25 9.698 -20.277 17.953 1.00 41.11 H new ATOM 0 HE2 LYS A 25 10.816 -22.498 17.632 1.00 42.43 H new ATOM 0 HE3 LYS A 25 11.265 -21.700 19.126 1.00 42.43 H new ATOM 0 HZ1 LYS A 25 10.785 -24.088 19.378 1.00 71.44 H new ATOM 0 HZ2 LYS A 25 9.794 -23.113 20.353 1.00 71.44 H new ATOM 0 HZ3 LYS A 25 9.172 -23.803 18.932 1.00 71.44 H new ATOM 392 N VAL A 26 8.564 -18.070 22.386 1.00 23.21 N ATOM 393 CA VAL A 26 9.426 -17.949 23.573 1.00 45.41 C ATOM 394 C VAL A 26 8.618 -18.123 24.871 1.00 24.20 C ATOM 395 O VAL A 26 8.875 -19.040 25.655 1.00 0.04 O ATOM 396 CB VAL A 26 10.166 -16.583 23.612 1.00 1.35 C ATOM 397 CG1 VAL A 26 10.965 -16.426 24.908 1.00 14.41 C ATOM 398 CG2 VAL A 26 11.078 -16.424 22.393 1.00 63.15 C ATOM 0 H VAL A 26 8.529 -17.234 21.803 1.00 23.21 H new ATOM 0 HA VAL A 26 10.166 -18.746 23.500 1.00 45.41 H new ATOM 0 HB VAL A 26 9.414 -15.795 23.582 1.00 1.35 H new ATOM 0 HG11 VAL A 26 11.472 -15.461 24.908 1.00 14.41 H new ATOM 0 HG12 VAL A 26 10.289 -16.480 25.761 1.00 14.41 H new ATOM 0 HG13 VAL A 26 11.704 -17.224 24.979 1.00 14.41 H new ATOM 0 HG21 VAL A 26 11.586 -15.461 22.442 1.00 63.15 H new ATOM 0 HG22 VAL A 26 11.818 -17.224 22.385 1.00 63.15 H new ATOM 0 HG23 VAL A 26 10.481 -16.474 21.483 1.00 63.15 H new ATOM 408 N MET A 27 7.632 -17.250 25.092 1.00 72.11 N ATOM 409 CA MET A 27 6.799 -17.333 26.298 1.00 13.11 C ATOM 410 C MET A 27 6.016 -18.657 26.348 1.00 60.13 C ATOM 411 O MET A 27 5.790 -19.214 27.422 1.00 43.04 O ATOM 412 CB MET A 27 5.854 -16.122 26.402 1.00 52.21 C ATOM 413 CG MET A 27 4.849 -15.989 25.265 1.00 41.21 C ATOM 414 SD MET A 27 3.800 -14.534 25.458 1.00 31.22 S ATOM 415 CE MET A 27 2.697 -14.700 24.056 1.00 34.10 C ATOM 0 H MET A 27 7.391 -16.486 24.461 1.00 72.11 H new ATOM 0 HA MET A 27 7.464 -17.312 27.162 1.00 13.11 H new ATOM 0 HB2 MET A 27 5.308 -16.186 27.343 1.00 52.21 H new ATOM 0 HB3 MET A 27 6.455 -15.214 26.443 1.00 52.21 H new ATOM 0 HG2 MET A 27 5.381 -15.929 24.316 1.00 41.21 H new ATOM 0 HG3 MET A 27 4.226 -16.883 25.225 1.00 41.21 H new ATOM 0 HE1 MET A 27 1.672 -14.508 24.374 1.00 34.10 H new ATOM 0 HE2 MET A 27 2.978 -13.982 23.285 1.00 34.10 H new ATOM 0 HE3 MET A 27 2.769 -15.711 23.654 1.00 34.10 H new ATOM 425 N LEU A 28 5.637 -19.174 25.179 1.00 33.20 N ATOM 426 CA LEU A 28 4.967 -20.476 25.082 1.00 23.25 C ATOM 427 C LEU A 28 5.821 -21.584 25.721 1.00 1.32 C ATOM 428 O LEU A 28 5.327 -22.396 26.499 1.00 23.53 O ATOM 429 CB LEU A 28 4.688 -20.811 23.611 1.00 54.32 C ATOM 430 CG LEU A 28 3.975 -22.147 23.358 1.00 53.41 C ATOM 431 CD1 LEU A 28 2.585 -22.151 23.996 1.00 42.31 C ATOM 432 CD2 LEU A 28 3.885 -22.428 21.861 1.00 11.32 C ATOM 0 H LEU A 28 5.782 -18.711 24.282 1.00 33.20 H new ATOM 0 HA LEU A 28 4.023 -20.417 25.624 1.00 23.25 H new ATOM 0 HB2 LEU A 28 4.084 -20.011 23.183 1.00 54.32 H new ATOM 0 HB3 LEU A 28 5.636 -20.818 23.073 1.00 54.32 H new ATOM 0 HG LEU A 28 4.560 -22.941 23.822 1.00 53.41 H new ATOM 0 HD11 LEU A 28 2.099 -23.108 23.804 1.00 42.31 H new ATOM 0 HD12 LEU A 28 2.678 -22.001 25.072 1.00 42.31 H new ATOM 0 HD13 LEU A 28 1.986 -21.347 23.568 1.00 42.31 H new ATOM 0 HD21 LEU A 28 3.377 -23.379 21.699 1.00 11.32 H new ATOM 0 HD22 LEU A 28 3.325 -21.630 21.374 1.00 11.32 H new ATOM 0 HD23 LEU A 28 4.889 -22.477 21.439 1.00 11.32 H new ATOM 444 N ASN A 29 7.112 -21.594 25.393 1.00 34.45 N ATOM 445 CA ASN A 29 8.049 -22.575 25.953 1.00 31.40 C ATOM 446 C ASN A 29 8.522 -22.175 27.361 1.00 74.11 C ATOM 447 O ASN A 29 9.284 -22.904 28.002 1.00 1.50 O ATOM 448 CB ASN A 29 9.252 -22.756 25.016 1.00 41.34 C ATOM 449 CG ASN A 29 8.925 -23.634 23.821 1.00 74.33 C ATOM 450 OD1 ASN A 29 9.167 -24.838 23.830 1.00 20.25 O ATOM 451 ND2 ASN A 29 8.370 -23.046 22.781 1.00 52.22 N ATOM 0 H ASN A 29 7.537 -20.934 24.741 1.00 34.45 H new ATOM 0 HA ASN A 29 7.520 -23.524 26.042 1.00 31.40 H new ATOM 0 HB2 ASN A 29 9.587 -21.780 24.666 1.00 41.34 H new ATOM 0 HB3 ASN A 29 10.080 -23.196 25.572 1.00 41.34 H new ATOM 0 HD21 ASN A 29 8.129 -23.593 21.954 1.00 52.22 H new ATOM 0 HD22 ASN A 29 8.181 -22.044 22.803 1.00 52.22 H new ATOM 458 N ARG A 30 8.088 -21.008 27.832 1.00 74.35 N ATOM 459 CA ARG A 30 8.377 -20.568 29.202 1.00 13.54 C ATOM 460 C ARG A 30 7.353 -21.181 30.171 1.00 35.21 C ATOM 461 O ARG A 30 7.710 -21.667 31.248 1.00 25.03 O ATOM 462 CB ARG A 30 8.356 -19.026 29.282 1.00 2.13 C ATOM 463 CG ARG A 30 9.199 -18.428 30.415 1.00 41.51 C ATOM 464 CD ARG A 30 8.636 -18.728 31.804 1.00 71.21 C ATOM 465 NE ARG A 30 9.519 -18.257 32.869 1.00 31.50 N ATOM 466 CZ ARG A 30 9.273 -18.396 34.144 1.00 35.32 C ATOM 467 NH1 ARG A 30 8.162 -18.922 34.553 1.00 71.44 N ATOM 468 NH2 ARG A 30 10.134 -17.985 35.016 1.00 62.32 N ATOM 0 H ARG A 30 7.534 -20.347 27.287 1.00 74.35 H new ATOM 0 HA ARG A 30 9.372 -20.909 29.487 1.00 13.54 H new ATOM 0 HB2 ARG A 30 8.710 -18.622 28.333 1.00 2.13 H new ATOM 0 HB3 ARG A 30 7.324 -18.697 29.404 1.00 2.13 H new ATOM 0 HG2 ARG A 30 10.215 -18.818 30.349 1.00 41.51 H new ATOM 0 HG3 ARG A 30 9.263 -17.348 30.281 1.00 41.51 H new ATOM 0 HD2 ARG A 30 7.659 -18.256 31.908 1.00 71.21 H new ATOM 0 HD3 ARG A 30 8.484 -19.802 31.909 1.00 71.21 H new ATOM 0 HE ARG A 30 10.384 -17.789 32.599 1.00 31.50 H new ATOM 0 HH11 ARG A 30 7.466 -19.234 33.876 1.00 71.44 H new ATOM 0 HH12 ARG A 30 7.984 -19.024 35.552 1.00 71.44 H new ATOM 0 HH21 ARG A 30 11.005 -17.552 34.708 1.00 62.32 H new ATOM 0 HH22 ARG A 30 9.943 -18.093 36.012 1.00 62.32 H new ATOM 482 N TYR A 31 6.081 -21.155 29.782 1.00 33.30 N ATOM 483 CA TYR A 31 5.015 -21.782 30.572 1.00 73.52 C ATOM 484 C TYR A 31 4.963 -23.301 30.317 1.00 72.32 C ATOM 485 O TYR A 31 5.204 -23.766 29.202 1.00 61.43 O ATOM 486 CB TYR A 31 3.650 -21.158 30.236 1.00 75.13 C ATOM 487 CG TYR A 31 3.535 -19.670 30.534 1.00 31.14 C ATOM 488 CD1 TYR A 31 3.096 -19.217 31.775 1.00 70.04 C ATOM 489 CD2 TYR A 31 3.857 -18.720 29.571 1.00 21.12 C ATOM 490 CE1 TYR A 31 2.982 -17.865 32.043 1.00 41.02 C ATOM 491 CE2 TYR A 31 3.747 -17.367 29.832 1.00 43.52 C ATOM 492 CZ TYR A 31 3.309 -16.944 31.067 1.00 43.23 C ATOM 493 OH TYR A 31 3.203 -15.593 31.330 1.00 61.23 O ATOM 0 H TYR A 31 5.759 -20.707 28.924 1.00 33.30 H new ATOM 0 HA TYR A 31 5.237 -21.608 31.625 1.00 73.52 H new ATOM 0 HB2 TYR A 31 3.444 -21.319 29.178 1.00 75.13 H new ATOM 0 HB3 TYR A 31 2.878 -21.686 30.795 1.00 75.13 H new ATOM 0 HD1 TYR A 31 2.840 -19.934 32.541 1.00 70.04 H new ATOM 0 HD2 TYR A 31 4.200 -19.046 28.600 1.00 21.12 H new ATOM 0 HE1 TYR A 31 2.639 -17.531 33.011 1.00 41.02 H new ATOM 0 HE2 TYR A 31 4.003 -16.645 29.071 1.00 43.52 H new ATOM 0 HH TYR A 31 3.472 -15.083 30.538 1.00 61.23 H new ATOM 503 N ARG A 32 4.648 -24.069 31.354 1.00 71.53 N ATOM 504 CA ARG A 32 4.557 -25.530 31.249 1.00 10.25 C ATOM 505 C ARG A 32 3.099 -25.969 31.039 1.00 11.34 C ATOM 506 O ARG A 32 2.180 -25.182 31.268 1.00 15.35 O ATOM 507 CB ARG A 32 5.118 -26.167 32.528 1.00 31.25 C ATOM 508 CG ARG A 32 6.530 -25.701 32.882 1.00 74.32 C ATOM 509 CD ARG A 32 6.815 -25.869 34.370 1.00 5.45 C ATOM 510 NE ARG A 32 5.854 -25.123 35.184 1.00 40.12 N ATOM 511 CZ ARG A 32 5.557 -25.402 36.422 1.00 22.05 C ATOM 512 NH1 ARG A 32 6.161 -26.364 37.043 1.00 64.35 N ATOM 513 NH2 ARG A 32 4.659 -24.704 37.043 1.00 73.30 N ATOM 0 H ARG A 32 4.449 -23.705 32.286 1.00 71.53 H new ATOM 0 HA ARG A 32 5.140 -25.860 30.389 1.00 10.25 H new ATOM 0 HB2 ARG A 32 4.451 -25.938 33.359 1.00 31.25 H new ATOM 0 HB3 ARG A 32 5.122 -27.251 32.411 1.00 31.25 H new ATOM 0 HG2 ARG A 32 7.258 -26.270 32.304 1.00 74.32 H new ATOM 0 HG3 ARG A 32 6.650 -24.654 32.603 1.00 74.32 H new ATOM 0 HD2 ARG A 32 6.774 -26.926 34.633 1.00 5.45 H new ATOM 0 HD3 ARG A 32 7.826 -25.525 34.590 1.00 5.45 H new ATOM 0 HE ARG A 32 5.383 -24.328 34.752 1.00 40.12 H new ATOM 0 HH11 ARG A 32 6.876 -26.911 36.563 1.00 64.35 H new ATOM 0 HH12 ARG A 32 5.922 -26.575 38.012 1.00 64.35 H new ATOM 0 HH21 ARG A 32 4.186 -23.938 36.563 1.00 73.30 H new ATOM 0 HH22 ARG A 32 4.425 -24.920 38.012 1.00 73.30 H new ATOM 527 N PRO A 33 2.862 -27.223 30.587 1.00 52.31 N ATOM 528 CA PRO A 33 1.499 -27.761 30.410 1.00 5.20 C ATOM 529 C PRO A 33 0.660 -27.711 31.696 1.00 64.24 C ATOM 530 O PRO A 33 0.474 -28.715 32.389 1.00 41.25 O ATOM 531 CB PRO A 33 1.730 -29.211 29.972 1.00 42.35 C ATOM 532 CG PRO A 33 3.105 -29.218 29.406 1.00 11.33 C ATOM 533 CD PRO A 33 3.890 -28.198 30.184 1.00 31.15 C ATOM 0 HA PRO A 33 0.932 -27.171 29.690 1.00 5.20 H new ATOM 0 HB2 PRO A 33 1.645 -29.898 30.814 1.00 42.35 H new ATOM 0 HB3 PRO A 33 0.995 -29.523 29.230 1.00 42.35 H new ATOM 0 HG2 PRO A 33 3.557 -30.206 29.495 1.00 11.33 H new ATOM 0 HG3 PRO A 33 3.089 -28.969 28.345 1.00 11.33 H new ATOM 0 HD2 PRO A 33 4.385 -28.643 31.048 1.00 31.15 H new ATOM 0 HD3 PRO A 33 4.667 -27.736 29.574 1.00 31.15 H new ATOM 541 N GLY A 34 0.182 -26.522 32.011 1.00 52.42 N ATOM 542 CA GLY A 34 -0.636 -26.319 33.206 1.00 61.01 C ATOM 543 C GLY A 34 -0.599 -24.887 33.744 1.00 44.35 C ATOM 544 O GLY A 34 -1.498 -24.478 34.487 1.00 4.15 O ATOM 0 H GLY A 34 0.342 -25.678 31.460 1.00 52.42 H new ATOM 0 HA2 GLY A 34 -1.668 -26.585 32.978 1.00 61.01 H new ATOM 0 HA3 GLY A 34 -0.297 -26.999 33.987 1.00 61.01 H new ATOM 548 N ASP A 35 0.439 -24.127 33.385 1.00 3.15 N ATOM 549 CA ASP A 35 0.579 -22.735 33.842 1.00 4.13 C ATOM 550 C ASP A 35 -0.364 -21.784 33.085 1.00 14.53 C ATOM 551 O ASP A 35 -0.601 -21.940 31.883 1.00 1.22 O ATOM 552 CB ASP A 35 2.028 -22.260 33.682 1.00 21.14 C ATOM 553 CG ASP A 35 2.992 -23.028 34.568 1.00 34.11 C ATOM 554 OD1 ASP A 35 3.499 -24.072 34.131 1.00 23.01 O ATOM 555 OD2 ASP A 35 3.255 -22.584 35.706 1.00 34.24 O ATOM 0 H ASP A 35 1.195 -24.448 32.781 1.00 3.15 H new ATOM 0 HA ASP A 35 0.304 -22.714 34.896 1.00 4.13 H new ATOM 0 HB2 ASP A 35 2.330 -22.370 32.641 1.00 21.14 H new ATOM 0 HB3 ASP A 35 2.087 -21.198 33.921 1.00 21.14 H new ATOM 560 N ILE A 36 -0.899 -20.798 33.804 1.00 24.43 N ATOM 561 CA ILE A 36 -1.778 -19.788 33.210 1.00 52.33 C ATOM 562 C ILE A 36 -0.979 -18.575 32.712 1.00 75.11 C ATOM 563 O ILE A 36 -0.119 -18.042 33.418 1.00 13.53 O ATOM 564 CB ILE A 36 -2.855 -19.315 34.223 1.00 70.20 C ATOM 565 CG1 ILE A 36 -3.758 -20.491 34.634 1.00 33.14 C ATOM 566 CG2 ILE A 36 -3.691 -18.171 33.641 1.00 55.03 C ATOM 567 CD1 ILE A 36 -4.529 -21.106 33.482 1.00 34.10 C ATOM 0 H ILE A 36 -0.739 -20.676 34.804 1.00 24.43 H new ATOM 0 HA ILE A 36 -2.272 -20.258 32.360 1.00 52.33 H new ATOM 0 HB ILE A 36 -2.346 -18.941 35.111 1.00 70.20 H new ATOM 0 HG12 ILE A 36 -3.144 -21.262 35.100 1.00 33.14 H new ATOM 0 HG13 ILE A 36 -4.465 -20.147 35.389 1.00 33.14 H new ATOM 0 HG21 ILE A 36 -4.438 -17.858 34.371 1.00 55.03 H new ATOM 0 HG22 ILE A 36 -3.041 -17.329 33.404 1.00 55.03 H new ATOM 0 HG23 ILE A 36 -4.190 -18.510 32.733 1.00 55.03 H new ATOM 0 HD11 ILE A 36 -5.142 -21.928 33.852 1.00 34.10 H new ATOM 0 HD12 ILE A 36 -5.171 -20.350 33.029 1.00 34.10 H new ATOM 0 HD13 ILE A 36 -3.829 -21.483 32.736 1.00 34.10 H new ATOM 579 N VAL A 37 -1.274 -18.148 31.491 1.00 10.45 N ATOM 580 CA VAL A 37 -0.609 -16.996 30.879 1.00 63.31 C ATOM 581 C VAL A 37 -0.948 -15.686 31.619 1.00 1.35 C ATOM 582 O VAL A 37 -2.087 -15.475 32.044 1.00 41.43 O ATOM 583 CB VAL A 37 -1.007 -16.875 29.384 1.00 43.04 C ATOM 584 CG1 VAL A 37 -0.348 -15.669 28.724 1.00 73.11 C ATOM 585 CG2 VAL A 37 -0.651 -18.158 28.631 1.00 22.34 C ATOM 0 H VAL A 37 -1.977 -18.586 30.896 1.00 10.45 H new ATOM 0 HA VAL A 37 0.466 -17.158 30.955 1.00 63.31 H new ATOM 0 HB VAL A 37 -2.086 -16.728 29.339 1.00 43.04 H new ATOM 0 HG11 VAL A 37 -0.650 -15.617 27.678 1.00 73.11 H new ATOM 0 HG12 VAL A 37 -0.658 -14.759 29.237 1.00 73.11 H new ATOM 0 HG13 VAL A 37 0.736 -15.768 28.784 1.00 73.11 H new ATOM 0 HG21 VAL A 37 -0.937 -18.057 27.584 1.00 22.34 H new ATOM 0 HG22 VAL A 37 0.423 -18.334 28.699 1.00 22.34 H new ATOM 0 HG23 VAL A 37 -1.185 -18.999 29.073 1.00 22.34 H new ATOM 595 N SER A 38 0.052 -14.816 31.781 1.00 4.30 N ATOM 596 CA SER A 38 -0.131 -13.531 32.481 1.00 41.15 C ATOM 597 C SER A 38 -1.065 -12.583 31.714 1.00 2.21 C ATOM 598 O SER A 38 -1.401 -12.823 30.555 1.00 73.02 O ATOM 599 CB SER A 38 1.221 -12.843 32.710 1.00 71.31 C ATOM 600 OG SER A 38 1.061 -11.605 33.389 1.00 10.23 O ATOM 0 H SER A 38 1.000 -14.973 31.438 1.00 4.30 H new ATOM 0 HA SER A 38 -0.594 -13.757 33.442 1.00 41.15 H new ATOM 0 HB2 SER A 38 1.871 -13.498 33.291 1.00 71.31 H new ATOM 0 HB3 SER A 38 1.713 -12.674 31.752 1.00 71.31 H new ATOM 0 HG SER A 38 1.938 -11.190 33.523 1.00 10.23 H new ATOM 606 N THR A 39 -1.463 -11.494 32.368 1.00 70.40 N ATOM 607 CA THR A 39 -2.409 -10.528 31.788 1.00 53.01 C ATOM 608 C THR A 39 -1.830 -9.818 30.552 1.00 60.32 C ATOM 609 O THR A 39 -2.469 -9.772 29.502 1.00 73.24 O ATOM 610 CB THR A 39 -2.839 -9.469 32.834 1.00 44.33 C ATOM 611 OG1 THR A 39 -3.450 -10.118 33.963 1.00 14.25 O ATOM 612 CG2 THR A 39 -3.819 -8.460 32.240 1.00 40.22 C ATOM 0 H THR A 39 -1.146 -11.253 33.307 1.00 70.40 H new ATOM 0 HA THR A 39 -3.281 -11.102 31.475 1.00 53.01 H new ATOM 0 HB THR A 39 -1.945 -8.932 33.150 1.00 44.33 H new ATOM 0 HG1 THR A 39 -3.718 -9.444 34.622 1.00 14.25 H new ATOM 0 HG21 THR A 39 -4.099 -7.733 33.002 1.00 40.22 H new ATOM 0 HG22 THR A 39 -3.348 -7.945 31.402 1.00 40.22 H new ATOM 0 HG23 THR A 39 -4.711 -8.981 31.891 1.00 40.22 H new ATOM 620 N VAL A 40 -0.623 -9.263 30.679 1.00 64.23 N ATOM 621 CA VAL A 40 0.041 -8.586 29.552 1.00 62.12 C ATOM 622 C VAL A 40 0.292 -9.562 28.388 1.00 53.12 C ATOM 623 O VAL A 40 -0.037 -9.275 27.233 1.00 32.52 O ATOM 624 CB VAL A 40 1.386 -7.943 29.983 1.00 60.43 C ATOM 625 CG1 VAL A 40 2.061 -7.235 28.806 1.00 4.21 C ATOM 626 CG2 VAL A 40 1.175 -6.975 31.148 1.00 11.41 C ATOM 0 H VAL A 40 -0.084 -9.266 31.545 1.00 64.23 H new ATOM 0 HA VAL A 40 -0.632 -7.796 29.218 1.00 62.12 H new ATOM 0 HB VAL A 40 2.047 -8.742 30.317 1.00 60.43 H new ATOM 0 HG11 VAL A 40 3.001 -6.794 29.137 1.00 4.21 H new ATOM 0 HG12 VAL A 40 2.258 -7.956 28.012 1.00 4.21 H new ATOM 0 HG13 VAL A 40 1.405 -6.450 28.429 1.00 4.21 H new ATOM 0 HG21 VAL A 40 2.131 -6.536 31.434 1.00 11.41 H new ATOM 0 HG22 VAL A 40 0.489 -6.184 30.844 1.00 11.41 H new ATOM 0 HG23 VAL A 40 0.755 -7.514 31.997 1.00 11.41 H new ATOM 636 N ASP A 41 0.879 -10.714 28.709 1.00 65.43 N ATOM 637 CA ASP A 41 1.083 -11.791 27.736 1.00 35.45 C ATOM 638 C ASP A 41 -0.240 -12.170 27.041 1.00 63.34 C ATOM 639 O ASP A 41 -0.299 -12.324 25.817 1.00 44.13 O ATOM 640 CB ASP A 41 1.657 -13.022 28.444 1.00 62.45 C ATOM 641 CG ASP A 41 2.975 -12.752 29.147 1.00 24.41 C ATOM 642 OD1 ASP A 41 3.026 -11.848 30.007 1.00 72.41 O ATOM 643 OD2 ASP A 41 3.967 -13.445 28.851 1.00 23.42 O ATOM 0 H ASP A 41 1.225 -10.928 29.644 1.00 65.43 H new ATOM 0 HA ASP A 41 1.782 -11.438 26.978 1.00 35.45 H new ATOM 0 HB2 ASP A 41 0.932 -13.384 29.173 1.00 62.45 H new ATOM 0 HB3 ASP A 41 1.799 -13.819 27.714 1.00 62.45 H new ATOM 648 N GLY A 42 -1.299 -12.314 27.839 1.00 2.02 N ATOM 649 CA GLY A 42 -2.613 -12.655 27.307 1.00 35.41 C ATOM 650 C GLY A 42 -3.182 -11.580 26.387 1.00 3.13 C ATOM 651 O GLY A 42 -3.747 -11.890 25.339 1.00 73.22 O ATOM 0 H GLY A 42 -1.270 -12.200 28.852 1.00 2.02 H new ATOM 0 HA2 GLY A 42 -2.544 -13.595 26.759 1.00 35.41 H new ATOM 0 HA3 GLY A 42 -3.303 -12.819 28.135 1.00 35.41 H new ATOM 655 N ALA A 43 -3.027 -10.314 26.778 1.00 55.13 N ATOM 656 CA ALA A 43 -3.479 -9.182 25.957 1.00 22.52 C ATOM 657 C ALA A 43 -2.840 -9.221 24.561 1.00 64.13 C ATOM 658 O ALA A 43 -3.493 -8.935 23.554 1.00 53.15 O ATOM 659 CB ALA A 43 -3.159 -7.864 26.657 1.00 71.13 C ATOM 0 H ALA A 43 -2.591 -10.043 27.660 1.00 55.13 H new ATOM 0 HA ALA A 43 -4.559 -9.261 25.832 1.00 22.52 H new ATOM 0 HB1 ALA A 43 -3.498 -7.032 26.040 1.00 71.13 H new ATOM 0 HB2 ALA A 43 -3.667 -7.831 27.621 1.00 71.13 H new ATOM 0 HB3 ALA A 43 -2.083 -7.786 26.811 1.00 71.13 H new ATOM 665 N PHE A 44 -1.561 -9.584 24.512 1.00 51.00 N ATOM 666 CA PHE A 44 -0.856 -9.769 23.242 1.00 2.04 C ATOM 667 C PHE A 44 -1.541 -10.864 22.406 1.00 13.13 C ATOM 668 O PHE A 44 -1.778 -10.696 21.209 1.00 62.24 O ATOM 669 CB PHE A 44 0.613 -10.135 23.505 1.00 42.55 C ATOM 670 CG PHE A 44 1.457 -10.236 22.253 1.00 23.14 C ATOM 671 CD1 PHE A 44 1.544 -11.430 21.544 1.00 53.04 C ATOM 672 CD2 PHE A 44 2.164 -9.136 21.784 1.00 2.21 C ATOM 673 CE1 PHE A 44 2.315 -11.519 20.400 1.00 33.31 C ATOM 674 CE2 PHE A 44 2.935 -9.225 20.640 1.00 33.12 C ATOM 675 CZ PHE A 44 3.010 -10.416 19.948 1.00 4.41 C ATOM 0 H PHE A 44 -0.988 -9.757 25.338 1.00 51.00 H new ATOM 0 HA PHE A 44 -0.889 -8.835 22.681 1.00 2.04 H new ATOM 0 HB2 PHE A 44 1.050 -9.387 24.166 1.00 42.55 H new ATOM 0 HB3 PHE A 44 0.650 -11.088 24.033 1.00 42.55 H new ATOM 0 HD1 PHE A 44 1.003 -12.298 21.892 1.00 53.04 H new ATOM 0 HD2 PHE A 44 2.111 -8.200 22.320 1.00 2.21 H new ATOM 0 HE1 PHE A 44 2.373 -12.452 19.860 1.00 33.31 H new ATOM 0 HE2 PHE A 44 3.479 -8.361 20.288 1.00 33.12 H new ATOM 0 HZ PHE A 44 3.612 -10.485 19.054 1.00 4.41 H new ATOM 685 N LEU A 45 -1.861 -11.980 23.058 1.00 2.11 N ATOM 686 CA LEU A 45 -2.561 -13.098 22.411 1.00 44.03 C ATOM 687 C LEU A 45 -3.957 -12.686 21.907 1.00 11.24 C ATOM 688 O LEU A 45 -4.389 -13.119 20.838 1.00 42.20 O ATOM 689 CB LEU A 45 -2.679 -14.280 23.385 1.00 72.50 C ATOM 690 CG LEU A 45 -1.353 -14.977 23.731 1.00 22.51 C ATOM 691 CD1 LEU A 45 -1.540 -15.953 24.891 1.00 5.44 C ATOM 692 CD2 LEU A 45 -0.800 -15.700 22.506 1.00 60.51 C ATOM 0 H LEU A 45 -1.646 -12.139 24.042 1.00 2.11 H new ATOM 0 HA LEU A 45 -1.973 -13.399 21.544 1.00 44.03 H new ATOM 0 HB2 LEU A 45 -3.136 -13.925 24.309 1.00 72.50 H new ATOM 0 HB3 LEU A 45 -3.358 -15.017 22.956 1.00 72.50 H new ATOM 0 HG LEU A 45 -0.635 -14.217 24.040 1.00 22.51 H new ATOM 0 HD11 LEU A 45 -0.589 -16.434 25.118 1.00 5.44 H new ATOM 0 HD12 LEU A 45 -1.892 -15.411 25.769 1.00 5.44 H new ATOM 0 HD13 LEU A 45 -2.273 -16.711 24.614 1.00 5.44 H new ATOM 0 HD21 LEU A 45 0.139 -16.189 22.765 1.00 60.51 H new ATOM 0 HD22 LEU A 45 -1.518 -16.448 22.170 1.00 60.51 H new ATOM 0 HD23 LEU A 45 -0.625 -14.980 21.707 1.00 60.51 H new ATOM 704 N VAL A 46 -4.656 -11.851 22.678 1.00 15.45 N ATOM 705 CA VAL A 46 -5.982 -11.355 22.278 1.00 0.20 C ATOM 706 C VAL A 46 -5.900 -10.533 20.979 1.00 43.33 C ATOM 707 O VAL A 46 -6.638 -10.788 20.024 1.00 64.34 O ATOM 708 CB VAL A 46 -6.638 -10.498 23.395 1.00 70.43 C ATOM 709 CG1 VAL A 46 -7.983 -9.933 22.935 1.00 64.21 C ATOM 710 CG2 VAL A 46 -6.806 -11.316 24.676 1.00 3.44 C ATOM 0 H VAL A 46 -4.331 -11.503 23.580 1.00 15.45 H new ATOM 0 HA VAL A 46 -6.606 -12.232 22.105 1.00 0.20 H new ATOM 0 HB VAL A 46 -5.975 -9.659 23.608 1.00 70.43 H new ATOM 0 HG11 VAL A 46 -8.420 -9.337 23.736 1.00 64.21 H new ATOM 0 HG12 VAL A 46 -7.833 -9.305 22.057 1.00 64.21 H new ATOM 0 HG13 VAL A 46 -8.656 -10.753 22.684 1.00 64.21 H new ATOM 0 HG21 VAL A 46 -7.267 -10.697 25.445 1.00 3.44 H new ATOM 0 HG22 VAL A 46 -7.441 -12.179 24.476 1.00 3.44 H new ATOM 0 HG23 VAL A 46 -5.830 -11.656 25.021 1.00 3.44 H new ATOM 720 N GLU A 47 -4.992 -9.556 20.943 1.00 22.52 N ATOM 721 CA GLU A 47 -4.774 -8.748 19.735 1.00 55.30 C ATOM 722 C GLU A 47 -4.288 -9.621 18.565 1.00 32.24 C ATOM 723 O GLU A 47 -4.689 -9.420 17.416 1.00 0.24 O ATOM 724 CB GLU A 47 -3.770 -7.617 20.013 1.00 4.13 C ATOM 725 CG GLU A 47 -4.250 -6.596 21.041 1.00 41.52 C ATOM 726 CD GLU A 47 -5.553 -5.918 20.638 1.00 1.12 C ATOM 727 OE1 GLU A 47 -5.538 -5.098 19.694 1.00 43.42 O ATOM 728 OE2 GLU A 47 -6.599 -6.202 21.259 1.00 33.03 O ATOM 0 H GLU A 47 -4.396 -9.303 21.732 1.00 22.52 H new ATOM 0 HA GLU A 47 -5.729 -8.304 19.453 1.00 55.30 H new ATOM 0 HB2 GLU A 47 -2.834 -8.054 20.361 1.00 4.13 H new ATOM 0 HB3 GLU A 47 -3.553 -7.101 19.078 1.00 4.13 H new ATOM 0 HG2 GLU A 47 -4.386 -7.092 22.002 1.00 41.52 H new ATOM 0 HG3 GLU A 47 -3.479 -5.838 21.180 1.00 41.52 H new ATOM 735 N ALA A 48 -3.431 -10.596 18.865 1.00 34.25 N ATOM 736 CA ALA A 48 -2.965 -11.559 17.860 1.00 1.31 C ATOM 737 C ALA A 48 -4.127 -12.419 17.335 1.00 44.03 C ATOM 738 O ALA A 48 -4.173 -12.779 16.156 1.00 75.35 O ATOM 739 CB ALA A 48 -1.874 -12.444 18.451 1.00 65.41 C ATOM 0 H ALA A 48 -3.043 -10.743 19.797 1.00 34.25 H new ATOM 0 HA ALA A 48 -2.554 -11.002 17.018 1.00 1.31 H new ATOM 0 HB1 ALA A 48 -1.535 -13.155 17.698 1.00 65.41 H new ATOM 0 HB2 ALA A 48 -1.035 -11.824 18.769 1.00 65.41 H new ATOM 0 HB3 ALA A 48 -2.271 -12.986 19.309 1.00 65.41 H new ATOM 745 N LEU A 49 -5.067 -12.738 18.218 1.00 51.34 N ATOM 746 CA LEU A 49 -6.257 -13.511 17.850 1.00 0.12 C ATOM 747 C LEU A 49 -7.189 -12.691 16.943 1.00 43.33 C ATOM 748 O LEU A 49 -7.692 -13.198 15.941 1.00 21.43 O ATOM 749 CB LEU A 49 -7.003 -13.963 19.116 1.00 32.21 C ATOM 750 CG LEU A 49 -8.268 -14.807 18.879 1.00 71.21 C ATOM 751 CD1 LEU A 49 -7.929 -16.102 18.140 1.00 1.12 C ATOM 752 CD2 LEU A 49 -8.965 -15.106 20.204 1.00 1.21 C ATOM 0 H LEU A 49 -5.031 -12.473 19.202 1.00 51.34 H new ATOM 0 HA LEU A 49 -5.936 -14.391 17.294 1.00 0.12 H new ATOM 0 HB2 LEU A 49 -6.315 -14.539 19.735 1.00 32.21 H new ATOM 0 HB3 LEU A 49 -7.281 -13.077 19.687 1.00 32.21 H new ATOM 0 HG LEU A 49 -8.950 -14.232 18.253 1.00 71.21 H new ATOM 0 HD11 LEU A 49 -8.839 -16.681 17.984 1.00 1.12 H new ATOM 0 HD12 LEU A 49 -7.481 -15.864 17.175 1.00 1.12 H new ATOM 0 HD13 LEU A 49 -7.225 -16.686 18.733 1.00 1.12 H new ATOM 0 HD21 LEU A 49 -9.858 -15.704 20.019 1.00 1.21 H new ATOM 0 HD22 LEU A 49 -8.287 -15.658 20.855 1.00 1.21 H new ATOM 0 HD23 LEU A 49 -9.248 -14.170 20.685 1.00 1.21 H new ATOM 764 N LYS A 50 -7.381 -11.415 17.286 1.00 44.13 N ATOM 765 CA LYS A 50 -8.277 -10.516 16.539 1.00 53.45 C ATOM 766 C LYS A 50 -7.937 -10.433 15.038 1.00 53.22 C ATOM 767 O LYS A 50 -8.818 -10.207 14.210 1.00 1.00 O ATOM 768 CB LYS A 50 -8.244 -9.112 17.157 1.00 3.53 C ATOM 769 CG LYS A 50 -8.917 -9.027 18.522 1.00 33.24 C ATOM 770 CD LYS A 50 -8.784 -7.637 19.138 1.00 11.00 C ATOM 771 CE LYS A 50 -9.597 -7.512 20.421 1.00 62.02 C ATOM 772 NZ LYS A 50 -11.056 -7.586 20.159 1.00 35.10 N ATOM 0 H LYS A 50 -6.925 -10.974 18.084 1.00 44.13 H new ATOM 0 HA LYS A 50 -9.279 -10.938 16.614 1.00 53.45 H new ATOM 0 HB2 LYS A 50 -7.207 -8.791 17.253 1.00 3.53 H new ATOM 0 HB3 LYS A 50 -8.732 -8.414 16.477 1.00 3.53 H new ATOM 0 HG2 LYS A 50 -9.972 -9.280 18.422 1.00 33.24 H new ATOM 0 HG3 LYS A 50 -8.474 -9.764 19.191 1.00 33.24 H new ATOM 0 HD2 LYS A 50 -7.735 -7.431 19.350 1.00 11.00 H new ATOM 0 HD3 LYS A 50 -9.117 -6.887 18.421 1.00 11.00 H new ATOM 0 HE2 LYS A 50 -9.311 -8.306 21.111 1.00 62.02 H new ATOM 0 HE3 LYS A 50 -9.363 -6.566 20.909 1.00 62.02 H new ATOM 0 HZ1 LYS A 50 -11.576 -7.249 20.994 1.00 35.10 H new ATOM 0 HZ2 LYS A 50 -11.292 -6.990 19.340 1.00 35.10 H new ATOM 0 HZ3 LYS A 50 -11.323 -8.571 19.959 1.00 35.10 H new ATOM 786 N ARG A 51 -6.664 -10.609 14.682 1.00 24.43 N ATOM 787 CA ARG A 51 -6.263 -10.584 13.265 1.00 3.52 C ATOM 788 C ARG A 51 -6.401 -11.975 12.607 1.00 53.23 C ATOM 789 O ARG A 51 -5.766 -12.263 11.591 1.00 41.20 O ATOM 790 CB ARG A 51 -4.831 -10.039 13.110 1.00 71.00 C ATOM 791 CG ARG A 51 -3.743 -10.888 13.757 1.00 65.31 C ATOM 792 CD ARG A 51 -2.364 -10.260 13.573 1.00 3.21 C ATOM 793 NE ARG A 51 -2.036 -10.053 12.161 1.00 74.41 N ATOM 794 CZ ARG A 51 -1.350 -9.036 11.706 1.00 23.41 C ATOM 795 NH1 ARG A 51 -0.903 -8.122 12.512 1.00 4.03 N ATOM 796 NH2 ARG A 51 -1.122 -8.928 10.437 1.00 40.32 N ATOM 0 H ARG A 51 -5.900 -10.768 15.339 1.00 24.43 H new ATOM 0 HA ARG A 51 -6.943 -9.910 12.744 1.00 3.52 H new ATOM 0 HB2 ARG A 51 -4.609 -9.940 12.047 1.00 71.00 H new ATOM 0 HB3 ARG A 51 -4.792 -9.037 13.538 1.00 71.00 H new ATOM 0 HG2 ARG A 51 -3.953 -11.003 14.820 1.00 65.31 H new ATOM 0 HG3 ARG A 51 -3.751 -11.887 13.321 1.00 65.31 H new ATOM 0 HD2 ARG A 51 -2.329 -9.305 14.097 1.00 3.21 H new ATOM 0 HD3 ARG A 51 -1.610 -10.902 14.029 1.00 3.21 H new ATOM 0 HE ARG A 51 -2.364 -10.747 11.489 1.00 74.41 H new ATOM 0 HH11 ARG A 51 -1.085 -8.192 13.513 1.00 4.03 H new ATOM 0 HH12 ARG A 51 -0.369 -7.334 12.144 1.00 4.03 H new ATOM 0 HH21 ARG A 51 -1.477 -9.635 9.793 1.00 40.32 H new ATOM 0 HH22 ARG A 51 -0.587 -8.136 10.080 1.00 40.32 H new ATOM 810 N HIS A 52 -7.240 -12.828 13.194 1.00 25.41 N ATOM 811 CA HIS A 52 -7.596 -14.124 12.602 1.00 51.22 C ATOM 812 C HIS A 52 -9.100 -14.164 12.278 1.00 42.44 C ATOM 813 O HIS A 52 -9.910 -13.624 13.030 1.00 0.32 O ATOM 814 CB HIS A 52 -7.230 -15.271 13.557 1.00 62.40 C ATOM 815 CG HIS A 52 -5.753 -15.502 13.693 1.00 5.31 C ATOM 816 ND1 HIS A 52 -4.968 -14.871 14.636 1.00 2.02 N ATOM 817 CD2 HIS A 52 -4.919 -16.318 13.005 1.00 12.55 C ATOM 818 CE1 HIS A 52 -3.722 -15.288 14.521 1.00 33.34 C ATOM 819 NE2 HIS A 52 -3.664 -16.166 13.542 1.00 1.13 N ATOM 0 H HIS A 52 -7.692 -12.644 14.090 1.00 25.41 H new ATOM 0 HA HIS A 52 -7.032 -14.249 11.678 1.00 51.22 H new ATOM 0 HB2 HIS A 52 -7.647 -15.058 14.541 1.00 62.40 H new ATOM 0 HB3 HIS A 52 -7.700 -16.189 13.204 1.00 62.40 H new ATOM 0 HD1 HIS A 52 -5.300 -14.188 15.317 1.00 2.02 H new ATOM 0 HD2 HIS A 52 -5.191 -16.968 12.186 1.00 12.55 H new ATOM 0 HE1 HIS A 52 -2.890 -14.964 15.128 1.00 33.34 H new ATOM 0 HE2 HIS A 52 -2.824 -16.654 13.232 1.00 1.13 H new ATOM 828 N PRO A 53 -9.497 -14.814 11.163 1.00 60.24 N ATOM 829 CA PRO A 53 -10.905 -14.831 10.711 1.00 40.33 C ATOM 830 C PRO A 53 -11.889 -15.350 11.778 1.00 32.12 C ATOM 831 O PRO A 53 -12.922 -14.731 12.034 1.00 44.12 O ATOM 832 CB PRO A 53 -10.883 -15.765 9.481 1.00 42.15 C ATOM 833 CG PRO A 53 -9.591 -16.511 9.572 1.00 73.13 C ATOM 834 CD PRO A 53 -8.626 -15.583 10.255 1.00 52.32 C ATOM 0 HA PRO A 53 -11.260 -13.824 10.493 1.00 40.33 H new ATOM 0 HB2 PRO A 53 -11.732 -16.448 9.491 1.00 42.15 H new ATOM 0 HB3 PRO A 53 -10.943 -15.195 8.554 1.00 42.15 H new ATOM 0 HG2 PRO A 53 -9.712 -17.434 10.139 1.00 73.13 H new ATOM 0 HG3 PRO A 53 -9.230 -16.790 8.582 1.00 73.13 H new ATOM 0 HD2 PRO A 53 -7.856 -16.130 10.800 1.00 52.32 H new ATOM 0 HD3 PRO A 53 -8.114 -14.937 9.542 1.00 52.32 H new ATOM 842 N ASP A 54 -11.556 -16.474 12.412 1.00 0.21 N ATOM 843 CA ASP A 54 -12.448 -17.107 13.395 1.00 10.43 C ATOM 844 C ASP A 54 -12.297 -16.498 14.805 1.00 3.42 C ATOM 845 O ASP A 54 -12.764 -17.081 15.787 1.00 13.11 O ATOM 846 CB ASP A 54 -12.175 -18.616 13.447 1.00 50.41 C ATOM 847 CG ASP A 54 -12.344 -19.281 12.092 1.00 2.51 C ATOM 848 OD1 ASP A 54 -13.498 -19.488 11.663 1.00 43.24 O ATOM 849 OD2 ASP A 54 -11.322 -19.596 11.447 1.00 44.51 O ATOM 0 H ASP A 54 -10.676 -16.968 12.265 1.00 0.21 H new ATOM 0 HA ASP A 54 -13.472 -16.923 13.071 1.00 10.43 H new ATOM 0 HB2 ASP A 54 -11.161 -18.787 13.809 1.00 50.41 H new ATOM 0 HB3 ASP A 54 -12.852 -19.081 14.164 1.00 50.41 H new ATOM 854 N ALA A 55 -11.672 -15.320 14.901 1.00 43.33 N ATOM 855 CA ALA A 55 -11.451 -14.655 16.194 1.00 12.32 C ATOM 856 C ALA A 55 -12.743 -14.551 17.024 1.00 15.34 C ATOM 857 O ALA A 55 -12.868 -15.172 18.082 1.00 24.24 O ATOM 858 CB ALA A 55 -10.861 -13.268 15.972 1.00 3.45 C ATOM 0 H ALA A 55 -11.309 -14.805 14.099 1.00 43.33 H new ATOM 0 HA ALA A 55 -10.749 -15.268 16.760 1.00 12.32 H new ATOM 0 HB1 ALA A 55 -10.701 -12.783 16.935 1.00 3.45 H new ATOM 0 HB2 ALA A 55 -9.910 -13.357 15.447 1.00 3.45 H new ATOM 0 HB3 ALA A 55 -11.550 -12.671 15.375 1.00 3.45 H new ATOM 864 N THR A 56 -13.706 -13.773 16.527 1.00 53.45 N ATOM 865 CA THR A 56 -14.999 -13.587 17.210 1.00 4.14 C ATOM 866 C THR A 56 -15.671 -14.926 17.561 1.00 55.51 C ATOM 867 O THR A 56 -16.286 -15.064 18.622 1.00 21.51 O ATOM 868 CB THR A 56 -15.978 -12.743 16.355 1.00 14.34 C ATOM 869 OG1 THR A 56 -17.243 -12.614 17.024 1.00 3.54 O ATOM 870 CG2 THR A 56 -16.191 -13.363 14.976 1.00 40.31 C ATOM 0 H THR A 56 -13.620 -13.257 15.651 1.00 53.45 H new ATOM 0 HA THR A 56 -14.774 -13.056 18.135 1.00 4.14 H new ATOM 0 HB THR A 56 -15.533 -11.757 16.224 1.00 14.34 H new ATOM 0 HG1 THR A 56 -17.851 -12.077 16.474 1.00 3.54 H new ATOM 0 HG21 THR A 56 -16.883 -12.746 14.403 1.00 40.31 H new ATOM 0 HG22 THR A 56 -15.237 -13.421 14.452 1.00 40.31 H new ATOM 0 HG23 THR A 56 -16.606 -14.365 15.088 1.00 40.31 H new ATOM 878 N SER A 57 -15.529 -15.918 16.676 1.00 51.24 N ATOM 879 CA SER A 57 -16.120 -17.249 16.890 1.00 1.43 C ATOM 880 C SER A 57 -15.486 -17.964 18.093 1.00 53.12 C ATOM 881 O SER A 57 -16.129 -18.783 18.750 1.00 51.41 O ATOM 882 CB SER A 57 -15.955 -18.125 15.634 1.00 43.02 C ATOM 883 OG SER A 57 -16.490 -17.491 14.480 1.00 30.31 O ATOM 0 H SER A 57 -15.010 -15.827 15.803 1.00 51.24 H new ATOM 0 HA SER A 57 -17.180 -17.100 17.095 1.00 1.43 H new ATOM 0 HB2 SER A 57 -14.898 -18.339 15.475 1.00 43.02 H new ATOM 0 HB3 SER A 57 -16.454 -19.082 15.789 1.00 43.02 H new ATOM 0 HG SER A 57 -16.367 -18.073 13.701 1.00 30.31 H new ATOM 889 N LYS A 58 -14.216 -17.667 18.369 1.00 73.21 N ATOM 890 CA LYS A 58 -13.498 -18.307 19.481 1.00 72.42 C ATOM 891 C LYS A 58 -13.450 -17.414 20.730 1.00 72.51 C ATOM 892 O LYS A 58 -13.096 -17.875 21.815 1.00 21.23 O ATOM 893 CB LYS A 58 -12.080 -18.701 19.039 1.00 23.12 C ATOM 894 CG LYS A 58 -12.067 -19.645 17.839 1.00 55.00 C ATOM 895 CD LYS A 58 -12.976 -20.854 18.064 1.00 2.45 C ATOM 896 CE LYS A 58 -13.051 -21.761 16.841 1.00 45.12 C ATOM 897 NZ LYS A 58 -14.020 -22.872 17.041 1.00 12.22 N ATOM 0 H LYS A 58 -13.662 -16.991 17.843 1.00 73.21 H new ATOM 0 HA LYS A 58 -14.049 -19.207 19.754 1.00 72.42 H new ATOM 0 HB2 LYS A 58 -11.520 -17.800 18.791 1.00 23.12 H new ATOM 0 HB3 LYS A 58 -11.565 -19.177 19.873 1.00 23.12 H new ATOM 0 HG2 LYS A 58 -12.391 -19.107 16.948 1.00 55.00 H new ATOM 0 HG3 LYS A 58 -11.048 -19.985 17.654 1.00 55.00 H new ATOM 0 HD2 LYS A 58 -12.610 -21.427 18.916 1.00 2.45 H new ATOM 0 HD3 LYS A 58 -13.978 -20.509 18.319 1.00 2.45 H new ATOM 0 HE2 LYS A 58 -13.344 -21.175 15.970 1.00 45.12 H new ATOM 0 HE3 LYS A 58 -12.064 -22.172 16.631 1.00 45.12 H new ATOM 0 HZ1 LYS A 58 -14.008 -23.497 16.210 1.00 12.22 H new ATOM 0 HZ2 LYS A 58 -13.755 -23.415 17.887 1.00 12.22 H new ATOM 0 HZ3 LYS A 58 -14.976 -22.481 17.166 1.00 12.22 H new ATOM 911 N ILE A 59 -13.802 -16.143 20.577 1.00 45.42 N ATOM 912 CA ILE A 59 -13.925 -15.231 21.720 1.00 20.33 C ATOM 913 C ILE A 59 -15.328 -15.327 22.347 1.00 2.34 C ATOM 914 O ILE A 59 -15.473 -15.420 23.570 1.00 51.52 O ATOM 915 CB ILE A 59 -13.639 -13.765 21.296 1.00 33.51 C ATOM 916 CG1 ILE A 59 -12.193 -13.633 20.776 1.00 34.32 C ATOM 917 CG2 ILE A 59 -13.893 -12.799 22.456 1.00 24.21 C ATOM 918 CD1 ILE A 59 -11.835 -12.248 20.273 1.00 72.22 C ATOM 0 H ILE A 59 -14.008 -15.715 19.674 1.00 45.42 H new ATOM 0 HA ILE A 59 -13.185 -15.531 22.462 1.00 20.33 H new ATOM 0 HB ILE A 59 -14.322 -13.500 20.489 1.00 33.51 H new ATOM 0 HG12 ILE A 59 -11.505 -13.905 21.577 1.00 34.32 H new ATOM 0 HG13 ILE A 59 -12.043 -14.350 19.969 1.00 34.32 H new ATOM 0 HG21 ILE A 59 -13.685 -11.779 22.132 1.00 24.21 H new ATOM 0 HG22 ILE A 59 -14.934 -12.875 22.771 1.00 24.21 H new ATOM 0 HG23 ILE A 59 -13.241 -13.054 23.292 1.00 24.21 H new ATOM 0 HD11 ILE A 59 -10.802 -12.243 19.926 1.00 72.22 H new ATOM 0 HD12 ILE A 59 -12.496 -11.978 19.449 1.00 72.22 H new ATOM 0 HD13 ILE A 59 -11.950 -11.526 21.082 1.00 72.22 H new ATOM 930 N GLY A 60 -16.356 -15.314 21.494 1.00 24.24 N ATOM 931 CA GLY A 60 -17.737 -15.419 21.959 1.00 24.22 C ATOM 932 C GLY A 60 -18.140 -14.284 22.901 1.00 61.15 C ATOM 933 O GLY A 60 -18.195 -13.125 22.489 1.00 4.11 O ATOM 0 H GLY A 60 -16.256 -15.232 20.482 1.00 24.24 H new ATOM 0 HA2 GLY A 60 -18.405 -15.423 21.098 1.00 24.22 H new ATOM 0 HA3 GLY A 60 -17.871 -16.372 22.470 1.00 24.22 H new ATOM 937 N PRO A 61 -18.436 -14.588 24.181 1.00 52.13 N ATOM 938 CA PRO A 61 -18.782 -13.562 25.181 1.00 61.44 C ATOM 939 C PRO A 61 -17.553 -12.786 25.695 1.00 43.15 C ATOM 940 O PRO A 61 -17.681 -11.662 26.190 1.00 44.45 O ATOM 941 CB PRO A 61 -19.412 -14.387 26.310 1.00 24.54 C ATOM 942 CG PRO A 61 -18.737 -15.715 26.222 1.00 23.13 C ATOM 943 CD PRO A 61 -18.471 -15.952 24.755 1.00 54.44 C ATOM 0 HA PRO A 61 -19.436 -12.793 24.769 1.00 61.44 H new ATOM 0 HB2 PRO A 61 -19.247 -13.921 27.282 1.00 24.54 H new ATOM 0 HB3 PRO A 61 -20.490 -14.480 26.180 1.00 24.54 H new ATOM 0 HG2 PRO A 61 -17.808 -15.719 26.792 1.00 23.13 H new ATOM 0 HG3 PRO A 61 -19.368 -16.501 26.636 1.00 23.13 H new ATOM 0 HD2 PRO A 61 -17.529 -16.477 24.598 1.00 54.44 H new ATOM 0 HD3 PRO A 61 -19.253 -16.559 24.299 1.00 54.44 H new ATOM 951 N GLY A 62 -16.368 -13.390 25.574 1.00 61.15 N ATOM 952 CA GLY A 62 -15.141 -12.757 26.054 1.00 43.33 C ATOM 953 C GLY A 62 -14.075 -13.761 26.489 1.00 24.12 C ATOM 954 O GLY A 62 -14.378 -14.923 26.779 1.00 12.13 O ATOM 0 H GLY A 62 -16.234 -14.309 25.151 1.00 61.15 H new ATOM 0 HA2 GLY A 62 -14.734 -12.124 25.265 1.00 43.33 H new ATOM 0 HA3 GLY A 62 -15.381 -12.105 26.894 1.00 43.33 H new ATOM 958 N VAL A 63 -12.822 -13.313 26.537 1.00 32.33 N ATOM 959 CA VAL A 63 -11.705 -14.165 26.957 1.00 70.41 C ATOM 960 C VAL A 63 -11.355 -13.937 28.440 1.00 73.05 C ATOM 961 O VAL A 63 -11.132 -12.805 28.872 1.00 42.41 O ATOM 962 CB VAL A 63 -10.445 -13.905 26.090 1.00 23.25 C ATOM 963 CG1 VAL A 63 -9.287 -14.810 26.515 1.00 34.41 C ATOM 964 CG2 VAL A 63 -10.762 -14.089 24.606 1.00 62.12 C ATOM 0 H VAL A 63 -12.551 -12.361 26.290 1.00 32.33 H new ATOM 0 HA VAL A 63 -12.025 -15.198 26.822 1.00 70.41 H new ATOM 0 HB VAL A 63 -10.136 -12.872 26.248 1.00 23.25 H new ATOM 0 HG11 VAL A 63 -8.417 -14.606 25.890 1.00 34.41 H new ATOM 0 HG12 VAL A 63 -9.038 -14.616 27.558 1.00 34.41 H new ATOM 0 HG13 VAL A 63 -9.580 -15.854 26.400 1.00 34.41 H new ATOM 0 HG21 VAL A 63 -9.865 -13.902 24.016 1.00 62.12 H new ATOM 0 HG22 VAL A 63 -11.105 -15.109 24.431 1.00 62.12 H new ATOM 0 HG23 VAL A 63 -11.543 -13.388 24.311 1.00 62.12 H new ATOM 974 N ARG A 64 -11.314 -15.019 29.213 1.00 44.01 N ATOM 975 CA ARG A 64 -10.957 -14.944 30.634 1.00 23.14 C ATOM 976 C ARG A 64 -9.425 -14.960 30.793 1.00 43.33 C ATOM 977 O ARG A 64 -8.843 -14.078 31.429 1.00 22.40 O ATOM 978 CB ARG A 64 -11.619 -16.114 31.394 1.00 12.11 C ATOM 979 CG ARG A 64 -11.711 -15.935 32.912 1.00 54.44 C ATOM 980 CD ARG A 64 -10.406 -16.264 33.628 1.00 2.44 C ATOM 981 NE ARG A 64 -10.532 -16.109 35.077 1.00 42.40 N ATOM 982 CZ ARG A 64 -10.167 -17.010 35.952 1.00 21.41 C ATOM 983 NH1 ARG A 64 -9.680 -18.148 35.573 1.00 51.52 N ATOM 984 NH2 ARG A 64 -10.322 -16.778 37.214 1.00 41.02 N ATOM 0 H ARG A 64 -11.523 -15.961 28.882 1.00 44.01 H new ATOM 0 HA ARG A 64 -11.325 -14.010 31.059 1.00 23.14 H new ATOM 0 HB2 ARG A 64 -12.625 -16.260 31.000 1.00 12.11 H new ATOM 0 HB3 ARG A 64 -11.059 -17.026 31.185 1.00 12.11 H new ATOM 0 HG2 ARG A 64 -11.993 -14.906 33.135 1.00 54.44 H new ATOM 0 HG3 ARG A 64 -12.504 -16.574 33.301 1.00 54.44 H new ATOM 0 HD2 ARG A 64 -10.111 -17.287 33.395 1.00 2.44 H new ATOM 0 HD3 ARG A 64 -9.614 -15.612 33.259 1.00 2.44 H new ATOM 0 HE ARG A 64 -10.932 -15.239 35.429 1.00 42.40 H new ATOM 0 HH11 ARG A 64 -9.576 -18.353 34.579 1.00 51.52 H new ATOM 0 HH12 ARG A 64 -9.400 -18.840 36.268 1.00 51.52 H new ATOM 0 HH21 ARG A 64 -10.728 -15.895 37.524 1.00 41.02 H new ATOM 0 HH22 ARG A 64 -10.039 -17.478 37.900 1.00 41.02 H new ATOM 998 N ASN A 65 -8.780 -15.968 30.206 1.00 75.25 N ATOM 999 CA ASN A 65 -7.313 -16.045 30.165 1.00 33.45 C ATOM 1000 C ASN A 65 -6.843 -17.131 29.181 1.00 21.45 C ATOM 1001 O ASN A 65 -7.644 -17.710 28.445 1.00 62.23 O ATOM 1002 CB ASN A 65 -6.729 -16.293 31.570 1.00 75.52 C ATOM 1003 CG ASN A 65 -7.231 -17.568 32.228 1.00 31.44 C ATOM 1004 OD1 ASN A 65 -7.544 -18.550 31.568 1.00 11.42 O ATOM 1005 ND2 ASN A 65 -7.310 -17.565 33.542 1.00 11.45 N ATOM 0 H ASN A 65 -9.251 -16.749 29.749 1.00 75.25 H new ATOM 0 HA ASN A 65 -6.942 -15.083 29.811 1.00 33.45 H new ATOM 0 HB2 ASN A 65 -5.642 -16.336 31.499 1.00 75.52 H new ATOM 0 HB3 ASN A 65 -6.973 -15.445 32.210 1.00 75.52 H new ATOM 0 HD21 ASN A 65 -7.639 -18.395 34.035 1.00 11.45 H new ATOM 0 HD22 ASN A 65 -7.043 -16.732 34.067 1.00 11.45 H new ATOM 1012 N PHE A 66 -5.539 -17.388 29.160 1.00 74.42 N ATOM 1013 CA PHE A 66 -4.963 -18.427 28.296 1.00 53.33 C ATOM 1014 C PHE A 66 -4.170 -19.451 29.121 1.00 74.13 C ATOM 1015 O PHE A 66 -3.520 -19.097 30.105 1.00 63.41 O ATOM 1016 CB PHE A 66 -4.045 -17.799 27.237 1.00 72.41 C ATOM 1017 CG PHE A 66 -4.747 -16.880 26.266 1.00 73.13 C ATOM 1018 CD1 PHE A 66 -5.017 -15.560 26.604 1.00 71.30 C ATOM 1019 CD2 PHE A 66 -5.128 -17.335 25.011 1.00 51.54 C ATOM 1020 CE1 PHE A 66 -5.653 -14.717 25.713 1.00 72.51 C ATOM 1021 CE2 PHE A 66 -5.764 -16.494 24.117 1.00 21.55 C ATOM 1022 CZ PHE A 66 -6.027 -15.184 24.468 1.00 35.34 C ATOM 0 H PHE A 66 -4.855 -16.892 29.731 1.00 74.42 H new ATOM 0 HA PHE A 66 -5.787 -18.940 27.799 1.00 53.33 H new ATOM 0 HB2 PHE A 66 -3.258 -17.240 27.742 1.00 72.41 H new ATOM 0 HB3 PHE A 66 -3.559 -18.597 26.676 1.00 72.41 H new ATOM 0 HD1 PHE A 66 -4.726 -15.188 27.575 1.00 71.30 H new ATOM 0 HD2 PHE A 66 -4.925 -18.358 24.730 1.00 51.54 H new ATOM 0 HE1 PHE A 66 -5.858 -13.693 25.990 1.00 72.51 H new ATOM 0 HE2 PHE A 66 -6.055 -16.861 23.144 1.00 21.55 H new ATOM 0 HZ PHE A 66 -6.524 -14.526 23.770 1.00 35.34 H new ATOM 1032 N GLU A 67 -4.229 -20.717 28.720 1.00 43.24 N ATOM 1033 CA GLU A 67 -3.462 -21.780 29.383 1.00 43.32 C ATOM 1034 C GLU A 67 -2.532 -22.483 28.380 1.00 71.33 C ATOM 1035 O GLU A 67 -2.936 -22.796 27.261 1.00 32.44 O ATOM 1036 CB GLU A 67 -4.412 -22.801 30.026 1.00 63.44 C ATOM 1037 CG GLU A 67 -3.700 -23.828 30.903 1.00 61.01 C ATOM 1038 CD GLU A 67 -4.634 -24.878 31.487 1.00 32.14 C ATOM 1039 OE1 GLU A 67 -5.826 -24.579 31.715 1.00 43.42 O ATOM 1040 OE2 GLU A 67 -4.175 -26.014 31.729 1.00 13.15 O ATOM 0 H GLU A 67 -4.800 -21.038 27.938 1.00 43.24 H new ATOM 0 HA GLU A 67 -2.851 -21.326 30.163 1.00 43.32 H new ATOM 0 HB2 GLU A 67 -5.150 -22.270 30.628 1.00 63.44 H new ATOM 0 HB3 GLU A 67 -4.958 -23.323 29.240 1.00 63.44 H new ATOM 0 HG2 GLU A 67 -2.930 -24.326 30.314 1.00 61.01 H new ATOM 0 HG3 GLU A 67 -3.194 -23.310 31.717 1.00 61.01 H new ATOM 1047 N VAL A 68 -1.287 -22.725 28.779 1.00 40.11 N ATOM 1048 CA VAL A 68 -0.311 -23.369 27.895 1.00 14.23 C ATOM 1049 C VAL A 68 -0.299 -24.894 28.068 1.00 54.31 C ATOM 1050 O VAL A 68 -0.067 -25.411 29.161 1.00 53.43 O ATOM 1051 CB VAL A 68 1.114 -22.809 28.133 1.00 14.35 C ATOM 1052 CG1 VAL A 68 2.151 -23.563 27.300 1.00 64.45 C ATOM 1053 CG2 VAL A 68 1.156 -21.312 27.825 1.00 22.43 C ATOM 0 H VAL A 68 -0.928 -22.488 29.704 1.00 40.11 H new ATOM 0 HA VAL A 68 -0.618 -23.143 26.874 1.00 14.23 H new ATOM 0 HB VAL A 68 1.364 -22.954 29.184 1.00 14.35 H new ATOM 0 HG11 VAL A 68 3.141 -23.147 27.488 1.00 64.45 H new ATOM 0 HG12 VAL A 68 2.142 -24.618 27.575 1.00 64.45 H new ATOM 0 HG13 VAL A 68 1.911 -23.462 26.242 1.00 64.45 H new ATOM 0 HG21 VAL A 68 2.164 -20.933 27.997 1.00 22.43 H new ATOM 0 HG22 VAL A 68 0.879 -21.147 26.784 1.00 22.43 H new ATOM 0 HG23 VAL A 68 0.455 -20.787 28.474 1.00 22.43 H new ATOM 1063 N ARG A 69 -0.561 -25.606 26.972 1.00 14.13 N ATOM 1064 CA ARG A 69 -0.537 -27.074 26.958 1.00 11.41 C ATOM 1065 C ARG A 69 0.166 -27.592 25.693 1.00 51.24 C ATOM 1066 O ARG A 69 0.811 -26.829 24.975 1.00 64.32 O ATOM 1067 CB ARG A 69 -1.966 -27.639 27.016 1.00 12.14 C ATOM 1068 CG ARG A 69 -2.788 -27.155 28.206 1.00 74.22 C ATOM 1069 CD ARG A 69 -4.182 -27.773 28.210 1.00 61.31 C ATOM 1070 NE ARG A 69 -5.045 -27.158 29.210 1.00 13.20 N ATOM 1071 CZ ARG A 69 -6.347 -27.156 29.152 1.00 23.14 C ATOM 1072 NH1 ARG A 69 -6.963 -27.813 28.225 1.00 24.53 N ATOM 1073 NH2 ARG A 69 -7.034 -26.514 30.037 1.00 14.03 N ATOM 0 H ARG A 69 -0.795 -25.187 26.072 1.00 14.13 H new ATOM 0 HA ARG A 69 0.016 -27.408 27.836 1.00 11.41 H new ATOM 0 HB2 ARG A 69 -2.487 -27.371 26.097 1.00 12.14 H new ATOM 0 HB3 ARG A 69 -1.912 -28.727 27.046 1.00 12.14 H new ATOM 0 HG2 ARG A 69 -2.273 -27.409 29.133 1.00 74.22 H new ATOM 0 HG3 ARG A 69 -2.870 -26.069 28.175 1.00 74.22 H new ATOM 0 HD2 ARG A 69 -4.632 -27.661 27.224 1.00 61.31 H new ATOM 0 HD3 ARG A 69 -4.105 -28.843 28.405 1.00 61.31 H new ATOM 0 HE ARG A 69 -4.602 -26.700 30.006 1.00 13.20 H new ATOM 0 HH11 ARG A 69 -6.430 -28.338 27.532 1.00 24.53 H new ATOM 0 HH12 ARG A 69 -7.982 -27.806 28.187 1.00 24.53 H new ATOM 0 HH21 ARG A 69 -6.558 -26.007 30.783 1.00 14.03 H new ATOM 0 HH22 ARG A 69 -8.053 -26.514 29.990 1.00 14.03 H new ATOM 1087 N SER A 70 0.039 -28.889 25.426 1.00 31.24 N ATOM 1088 CA SER A 70 0.626 -29.493 24.219 1.00 61.21 C ATOM 1089 C SER A 70 -0.281 -29.297 22.991 1.00 41.20 C ATOM 1090 O SER A 70 -1.419 -28.833 23.108 1.00 24.33 O ATOM 1091 CB SER A 70 0.884 -30.991 24.440 1.00 3.12 C ATOM 1092 OG SER A 70 1.495 -31.586 23.304 1.00 44.32 O ATOM 0 H SER A 70 -0.463 -29.546 26.024 1.00 31.24 H new ATOM 0 HA SER A 70 1.573 -28.988 24.027 1.00 61.21 H new ATOM 0 HB2 SER A 70 1.524 -31.127 25.312 1.00 3.12 H new ATOM 0 HB3 SER A 70 -0.058 -31.496 24.654 1.00 3.12 H new ATOM 0 HG SER A 70 1.648 -32.539 23.476 1.00 44.32 H new ATOM 1098 N ALA A 71 0.236 -29.652 21.816 1.00 3.43 N ATOM 1099 CA ALA A 71 -0.513 -29.546 20.557 1.00 33.45 C ATOM 1100 C ALA A 71 -0.463 -30.865 19.767 1.00 32.45 C ATOM 1101 O ALA A 71 -1.480 -31.545 19.610 1.00 33.12 O ATOM 1102 CB ALA A 71 0.031 -28.395 19.711 1.00 44.24 C ATOM 0 H ALA A 71 1.181 -30.020 21.706 1.00 3.43 H new ATOM 0 HA ALA A 71 -1.555 -29.341 20.801 1.00 33.45 H new ATOM 0 HB1 ALA A 71 -0.534 -28.328 18.781 1.00 44.24 H new ATOM 0 HB2 ALA A 71 -0.067 -27.460 20.263 1.00 44.24 H new ATOM 0 HB3 ALA A 71 1.082 -28.575 19.485 1.00 44.24 H new ATOM 1108 N ASP A 72 0.725 -31.216 19.265 1.00 10.41 N ATOM 1109 CA ASP A 72 0.922 -32.472 18.527 1.00 73.14 C ATOM 1110 C ASP A 72 1.712 -33.495 19.365 1.00 43.51 C ATOM 1111 O ASP A 72 1.159 -34.494 19.834 1.00 13.25 O ATOM 1112 CB ASP A 72 1.652 -32.203 17.204 1.00 51.22 C ATOM 1113 CG ASP A 72 0.879 -31.263 16.295 1.00 44.33 C ATOM 1114 OD1 ASP A 72 0.044 -31.747 15.503 1.00 11.05 O ATOM 1115 OD2 ASP A 72 1.102 -30.037 16.365 1.00 74.01 O ATOM 0 H ASP A 72 1.568 -30.648 19.355 1.00 10.41 H new ATOM 0 HA ASP A 72 -0.061 -32.893 18.315 1.00 73.14 H new ATOM 0 HB2 ASP A 72 2.633 -31.776 17.414 1.00 51.22 H new ATOM 0 HB3 ASP A 72 1.820 -33.148 16.687 1.00 51.22 H new ATOM 1120 N TYR A 73 3.015 -33.248 19.531 1.00 0.05 N ATOM 1121 CA TYR A 73 3.885 -34.104 20.359 1.00 21.22 C ATOM 1122 C TYR A 73 4.780 -33.244 21.269 1.00 1.23 C ATOM 1123 O TYR A 73 4.602 -33.209 22.491 1.00 3.21 O ATOM 1124 CB TYR A 73 4.769 -35.004 19.476 1.00 41.41 C ATOM 1125 CG TYR A 73 4.004 -35.946 18.562 1.00 14.25 C ATOM 1126 CD1 TYR A 73 3.627 -35.549 17.282 1.00 21.42 C ATOM 1127 CD2 TYR A 73 3.667 -37.231 18.974 1.00 45.21 C ATOM 1128 CE1 TYR A 73 2.939 -36.403 16.443 1.00 5.14 C ATOM 1129 CE2 TYR A 73 2.981 -38.092 18.138 1.00 13.14 C ATOM 1130 CZ TYR A 73 2.619 -37.672 16.875 1.00 15.42 C ATOM 1131 OH TYR A 73 1.936 -38.526 16.039 1.00 4.41 O ATOM 0 H TYR A 73 3.497 -32.458 19.102 1.00 0.05 H new ATOM 0 HA TYR A 73 3.243 -34.733 20.976 1.00 21.22 H new ATOM 0 HB2 TYR A 73 5.413 -34.371 18.866 1.00 41.41 H new ATOM 0 HB3 TYR A 73 5.421 -35.594 20.120 1.00 41.41 H new ATOM 0 HD1 TYR A 73 3.877 -34.556 16.939 1.00 21.42 H new ATOM 0 HD2 TYR A 73 3.946 -37.562 19.964 1.00 45.21 H new ATOM 0 HE1 TYR A 73 2.653 -36.078 15.453 1.00 5.14 H new ATOM 0 HE2 TYR A 73 2.730 -39.088 18.472 1.00 13.14 H new ATOM 0 HH TYR A 73 1.790 -39.382 16.494 1.00 4.41 H new ATOM 1141 N GLY A 74 5.756 -32.569 20.659 1.00 51.15 N ATOM 1142 CA GLY A 74 6.615 -31.633 21.384 1.00 44.32 C ATOM 1143 C GLY A 74 6.204 -30.183 21.154 1.00 22.22 C ATOM 1144 O GLY A 74 6.715 -29.264 21.799 1.00 44.21 O ATOM 0 H GLY A 74 5.971 -32.653 19.665 1.00 51.15 H new ATOM 0 HA2 GLY A 74 6.575 -31.856 22.450 1.00 44.32 H new ATOM 0 HA3 GLY A 74 7.649 -31.771 21.068 1.00 44.32 H new ATOM 1148 N THR A 75 5.285 -29.982 20.214 1.00 55.05 N ATOM 1149 CA THR A 75 4.734 -28.655 19.926 1.00 12.13 C ATOM 1150 C THR A 75 3.708 -28.238 20.985 1.00 24.54 C ATOM 1151 O THR A 75 2.786 -28.990 21.301 1.00 71.32 O ATOM 1152 CB THR A 75 4.056 -28.611 18.534 1.00 72.43 C ATOM 1153 OG1 THR A 75 3.032 -29.613 18.449 1.00 42.22 O ATOM 1154 CG2 THR A 75 5.072 -28.830 17.422 1.00 32.14 C ATOM 0 H THR A 75 4.901 -30.727 19.632 1.00 55.05 H new ATOM 0 HA THR A 75 5.574 -27.960 19.939 1.00 12.13 H new ATOM 0 HB THR A 75 3.612 -27.623 18.410 1.00 72.43 H new ATOM 0 HG1 THR A 75 2.540 -29.508 17.608 1.00 42.22 H new ATOM 0 HG21 THR A 75 4.568 -28.794 16.456 1.00 32.14 H new ATOM 0 HG22 THR A 75 5.832 -28.049 17.464 1.00 32.14 H new ATOM 0 HG23 THR A 75 5.545 -29.804 17.548 1.00 32.14 H new ATOM 1162 N GLN A 76 3.879 -27.043 21.541 1.00 23.02 N ATOM 1163 CA GLN A 76 2.934 -26.495 22.521 1.00 35.33 C ATOM 1164 C GLN A 76 1.891 -25.582 21.850 1.00 52.41 C ATOM 1165 O GLN A 76 2.094 -25.099 20.735 1.00 41.55 O ATOM 1166 CB GLN A 76 3.692 -25.713 23.601 1.00 5.31 C ATOM 1167 CG GLN A 76 4.540 -26.582 24.523 1.00 64.43 C ATOM 1168 CD GLN A 76 5.454 -25.758 25.415 1.00 60.53 C ATOM 1169 OE1 GLN A 76 6.601 -25.497 25.073 1.00 73.11 O ATOM 1170 NE2 GLN A 76 4.948 -25.330 26.554 1.00 51.13 N ATOM 0 H GLN A 76 4.666 -26.429 21.331 1.00 23.02 H new ATOM 0 HA GLN A 76 2.406 -27.331 22.979 1.00 35.33 H new ATOM 0 HB2 GLN A 76 4.337 -24.979 23.117 1.00 5.31 H new ATOM 0 HB3 GLN A 76 2.973 -25.158 24.203 1.00 5.31 H new ATOM 0 HG2 GLN A 76 3.886 -27.194 25.144 1.00 64.43 H new ATOM 0 HG3 GLN A 76 5.141 -27.265 23.923 1.00 64.43 H new ATOM 0 HE21 GLN A 76 3.989 -25.567 26.807 1.00 51.13 H new ATOM 0 HE22 GLN A 76 5.516 -24.762 27.183 1.00 51.13 H new ATOM 1179 N CYS A 77 0.781 -25.338 22.544 1.00 21.22 N ATOM 1180 CA CYS A 77 -0.299 -24.500 22.007 1.00 61.54 C ATOM 1181 C CYS A 77 -0.964 -23.662 23.103 1.00 3.52 C ATOM 1182 O CYS A 77 -1.025 -24.069 24.267 1.00 73.51 O ATOM 1183 CB CYS A 77 -1.361 -25.366 21.316 1.00 21.12 C ATOM 1184 SG CYS A 77 -2.766 -24.434 20.657 1.00 43.44 S ATOM 0 H CYS A 77 0.602 -25.706 23.478 1.00 21.22 H new ATOM 0 HA CYS A 77 0.151 -23.823 21.281 1.00 61.54 H new ATOM 0 HB2 CYS A 77 -0.891 -25.917 20.501 1.00 21.12 H new ATOM 0 HB3 CYS A 77 -1.731 -26.104 22.028 1.00 21.12 H new ATOM 0 HG CYS A 77 -2.332 -23.488 19.878 1.00 43.44 H new ATOM 1190 N PHE A 78 -1.457 -22.485 22.723 1.00 14.14 N ATOM 1191 CA PHE A 78 -2.210 -21.629 23.643 1.00 23.25 C ATOM 1192 C PHE A 78 -3.693 -22.023 23.658 1.00 32.32 C ATOM 1193 O PHE A 78 -4.333 -22.117 22.607 1.00 24.12 O ATOM 1194 CB PHE A 78 -2.071 -20.149 23.252 1.00 60.21 C ATOM 1195 CG PHE A 78 -0.672 -19.597 23.395 1.00 63.34 C ATOM 1196 CD1 PHE A 78 -0.171 -19.260 24.647 1.00 14.02 C ATOM 1197 CD2 PHE A 78 0.139 -19.412 22.283 1.00 73.14 C ATOM 1198 CE1 PHE A 78 1.107 -18.750 24.785 1.00 23.30 C ATOM 1199 CE2 PHE A 78 1.419 -18.900 22.417 1.00 42.42 C ATOM 1200 CZ PHE A 78 1.902 -18.570 23.670 1.00 62.43 C ATOM 0 H PHE A 78 -1.350 -22.100 21.784 1.00 14.14 H new ATOM 0 HA PHE A 78 -1.796 -21.768 24.642 1.00 23.25 H new ATOM 0 HB2 PHE A 78 -2.393 -20.027 22.218 1.00 60.21 H new ATOM 0 HB3 PHE A 78 -2.747 -19.557 23.869 1.00 60.21 H new ATOM 0 HD1 PHE A 78 -0.787 -19.398 25.523 1.00 14.02 H new ATOM 0 HD2 PHE A 78 -0.233 -19.670 21.302 1.00 73.14 H new ATOM 0 HE1 PHE A 78 1.483 -18.493 25.764 1.00 23.30 H new ATOM 0 HE2 PHE A 78 2.039 -18.759 21.544 1.00 42.42 H new ATOM 0 HZ PHE A 78 2.900 -18.172 23.777 1.00 62.43 H new ATOM 1210 N TRP A 79 -4.228 -22.270 24.849 1.00 2.22 N ATOM 1211 CA TRP A 79 -5.646 -22.606 25.012 1.00 20.31 C ATOM 1212 C TRP A 79 -6.448 -21.395 25.508 1.00 13.44 C ATOM 1213 O TRP A 79 -6.120 -20.794 26.532 1.00 55.43 O ATOM 1214 CB TRP A 79 -5.807 -23.785 25.983 1.00 11.41 C ATOM 1215 CG TRP A 79 -5.346 -25.095 25.410 1.00 22.32 C ATOM 1216 CD1 TRP A 79 -4.062 -25.460 25.110 1.00 35.52 C ATOM 1217 CD2 TRP A 79 -6.170 -26.217 25.069 1.00 24.24 C ATOM 1218 NE1 TRP A 79 -4.042 -26.733 24.590 1.00 34.25 N ATOM 1219 CE2 TRP A 79 -5.323 -27.221 24.563 1.00 35.15 C ATOM 1220 CE3 TRP A 79 -7.543 -26.469 25.142 1.00 52.34 C ATOM 1221 CZ2 TRP A 79 -5.804 -28.455 24.133 1.00 62.44 C ATOM 1222 CZ3 TRP A 79 -8.019 -27.695 24.717 1.00 33.24 C ATOM 1223 CH2 TRP A 79 -7.151 -28.675 24.218 1.00 53.02 C ATOM 0 H TRP A 79 -3.702 -22.245 25.722 1.00 2.22 H new ATOM 0 HA TRP A 79 -6.038 -22.895 24.037 1.00 20.31 H new ATOM 0 HB2 TRP A 79 -5.244 -23.576 26.893 1.00 11.41 H new ATOM 0 HB3 TRP A 79 -6.855 -23.870 26.269 1.00 11.41 H new ATOM 0 HD1 TRP A 79 -3.191 -24.839 25.260 1.00 35.52 H new ATOM 0 HE1 TRP A 79 -3.210 -27.233 24.276 1.00 34.25 H new ATOM 0 HE3 TRP A 79 -8.220 -25.719 25.524 1.00 52.34 H new ATOM 0 HZ2 TRP A 79 -5.137 -29.211 23.746 1.00 62.44 H new ATOM 0 HZ3 TRP A 79 -9.078 -27.901 24.770 1.00 33.24 H new ATOM 0 HH2 TRP A 79 -7.554 -29.623 23.894 1.00 53.02 H new ATOM 1234 N ILE A 80 -7.496 -21.044 24.770 1.00 51.11 N ATOM 1235 CA ILE A 80 -8.342 -19.899 25.108 1.00 20.21 C ATOM 1236 C ILE A 80 -9.407 -20.273 26.148 1.00 24.40 C ATOM 1237 O ILE A 80 -10.381 -20.963 25.836 1.00 72.45 O ATOM 1238 CB ILE A 80 -9.054 -19.339 23.848 1.00 15.55 C ATOM 1239 CG1 ILE A 80 -8.034 -19.036 22.736 1.00 32.03 C ATOM 1240 CG2 ILE A 80 -9.862 -18.087 24.197 1.00 43.31 C ATOM 1241 CD1 ILE A 80 -8.662 -18.535 21.450 1.00 11.54 C ATOM 0 H ILE A 80 -7.784 -21.540 23.926 1.00 51.11 H new ATOM 0 HA ILE A 80 -7.684 -19.137 25.526 1.00 20.21 H new ATOM 0 HB ILE A 80 -9.743 -20.099 23.479 1.00 15.55 H new ATOM 0 HG12 ILE A 80 -7.326 -18.290 23.098 1.00 32.03 H new ATOM 0 HG13 ILE A 80 -7.464 -19.940 22.523 1.00 32.03 H new ATOM 0 HG21 ILE A 80 -10.354 -17.710 23.300 1.00 43.31 H new ATOM 0 HG22 ILE A 80 -10.614 -18.336 24.946 1.00 43.31 H new ATOM 0 HG23 ILE A 80 -9.195 -17.322 24.594 1.00 43.31 H new ATOM 0 HD11 ILE A 80 -7.881 -18.343 20.714 1.00 11.54 H new ATOM 0 HD12 ILE A 80 -9.348 -19.288 21.063 1.00 11.54 H new ATOM 0 HD13 ILE A 80 -9.209 -17.613 21.647 1.00 11.54 H new ATOM 1253 N LEU A 81 -9.211 -19.830 27.385 1.00 41.22 N ATOM 1254 CA LEU A 81 -10.220 -20.002 28.431 1.00 62.13 C ATOM 1255 C LEU A 81 -11.229 -18.851 28.382 1.00 61.11 C ATOM 1256 O LEU A 81 -10.955 -17.742 28.848 1.00 60.32 O ATOM 1257 CB LEU A 81 -9.569 -20.093 29.824 1.00 32.04 C ATOM 1258 CG LEU A 81 -8.951 -21.458 30.184 1.00 72.30 C ATOM 1259 CD1 LEU A 81 -10.024 -22.541 30.213 1.00 44.25 C ATOM 1260 CD2 LEU A 81 -7.829 -21.832 29.216 1.00 55.42 C ATOM 0 H LEU A 81 -8.365 -19.349 27.691 1.00 41.22 H new ATOM 0 HA LEU A 81 -10.745 -20.940 28.248 1.00 62.13 H new ATOM 0 HB2 LEU A 81 -8.791 -19.333 29.891 1.00 32.04 H new ATOM 0 HB3 LEU A 81 -10.321 -19.846 30.573 1.00 32.04 H new ATOM 0 HG LEU A 81 -8.516 -21.377 31.180 1.00 72.30 H new ATOM 0 HD11 LEU A 81 -9.569 -23.498 30.469 1.00 44.25 H new ATOM 0 HD12 LEU A 81 -10.777 -22.287 30.958 1.00 44.25 H new ATOM 0 HD13 LEU A 81 -10.494 -22.614 29.232 1.00 44.25 H new ATOM 0 HD21 LEU A 81 -7.414 -22.800 29.497 1.00 55.42 H new ATOM 0 HD22 LEU A 81 -8.226 -21.888 28.203 1.00 55.42 H new ATOM 0 HD23 LEU A 81 -7.046 -21.075 29.257 1.00 55.42 H new ATOM 1272 N ARG A 82 -12.390 -19.120 27.798 1.00 45.22 N ATOM 1273 CA ARG A 82 -13.424 -18.100 27.612 1.00 2.32 C ATOM 1274 C ARG A 82 -14.233 -17.870 28.896 1.00 20.14 C ATOM 1275 O ARG A 82 -14.374 -18.771 29.724 1.00 2.34 O ATOM 1276 CB ARG A 82 -14.364 -18.522 26.474 1.00 1.42 C ATOM 1277 CG ARG A 82 -13.653 -18.717 25.139 1.00 34.23 C ATOM 1278 CD ARG A 82 -14.598 -19.202 24.042 1.00 74.54 C ATOM 1279 NE ARG A 82 -15.090 -20.562 24.277 1.00 65.45 N ATOM 1280 CZ ARG A 82 -15.382 -21.407 23.322 1.00 14.13 C ATOM 1281 NH1 ARG A 82 -15.209 -21.085 22.082 1.00 74.41 N ATOM 1282 NH2 ARG A 82 -15.841 -22.577 23.609 1.00 24.33 N ATOM 0 H ARG A 82 -12.644 -20.041 27.442 1.00 45.22 H new ATOM 0 HA ARG A 82 -12.930 -17.162 27.358 1.00 2.32 H new ATOM 0 HB2 ARG A 82 -14.862 -19.451 26.751 1.00 1.42 H new ATOM 0 HB3 ARG A 82 -15.141 -17.767 26.356 1.00 1.42 H new ATOM 0 HG2 ARG A 82 -13.197 -17.776 24.832 1.00 34.23 H new ATOM 0 HG3 ARG A 82 -12.844 -19.437 25.263 1.00 34.23 H new ATOM 0 HD2 ARG A 82 -15.446 -18.521 23.972 1.00 74.54 H new ATOM 0 HD3 ARG A 82 -14.082 -19.168 23.083 1.00 74.54 H new ATOM 0 HE ARG A 82 -15.212 -20.868 25.242 1.00 65.45 H new ATOM 0 HH11 ARG A 82 -14.842 -20.165 21.841 1.00 74.41 H new ATOM 0 HH12 ARG A 82 -15.440 -21.751 21.345 1.00 74.41 H new ATOM 0 HH21 ARG A 82 -15.978 -22.846 24.583 1.00 24.33 H new ATOM 0 HH22 ARG A 82 -16.068 -23.233 22.862 1.00 24.33 H new ATOM 1296 N THR A 83 -14.775 -16.661 29.050 1.00 52.13 N ATOM 1297 CA THR A 83 -15.653 -16.340 30.188 1.00 73.41 C ATOM 1298 C THR A 83 -16.903 -17.231 30.182 1.00 42.55 C ATOM 1299 O THR A 83 -17.580 -17.393 31.198 1.00 2.12 O ATOM 1300 CB THR A 83 -16.085 -14.856 30.170 1.00 44.55 C ATOM 1301 OG1 THR A 83 -16.767 -14.556 28.943 1.00 2.22 O ATOM 1302 CG2 THR A 83 -14.880 -13.931 30.322 1.00 30.02 C ATOM 0 H THR A 83 -14.625 -15.886 28.405 1.00 52.13 H new ATOM 0 HA THR A 83 -15.080 -16.526 31.096 1.00 73.41 H new ATOM 0 HB THR A 83 -16.757 -14.692 31.012 1.00 44.55 H new ATOM 0 HG1 THR A 83 -16.136 -14.616 28.195 1.00 2.22 H new ATOM 0 HG21 THR A 83 -15.213 -12.893 30.306 1.00 30.02 H new ATOM 0 HG22 THR A 83 -14.380 -14.137 31.269 1.00 30.02 H new ATOM 0 HG23 THR A 83 -14.185 -14.101 29.500 1.00 30.02 H new ATOM 1310 N ASP A 84 -17.189 -17.799 29.012 1.00 35.12 N ATOM 1311 CA ASP A 84 -18.241 -18.801 28.835 1.00 13.11 C ATOM 1312 C ASP A 84 -18.069 -19.991 29.806 1.00 32.25 C ATOM 1313 O ASP A 84 -19.048 -20.556 30.301 1.00 32.31 O ATOM 1314 CB ASP A 84 -18.194 -19.290 27.379 1.00 54.13 C ATOM 1315 CG ASP A 84 -19.169 -20.414 27.092 1.00 22.44 C ATOM 1316 OD1 ASP A 84 -18.803 -21.588 27.293 1.00 73.14 O ATOM 1317 OD2 ASP A 84 -20.299 -20.131 26.649 1.00 61.10 O ATOM 0 H ASP A 84 -16.692 -17.575 28.150 1.00 35.12 H new ATOM 0 HA ASP A 84 -19.207 -18.348 29.058 1.00 13.11 H new ATOM 0 HB2 ASP A 84 -18.410 -18.453 26.715 1.00 54.13 H new ATOM 0 HB3 ASP A 84 -17.183 -19.627 27.149 1.00 54.13 H new ATOM 1322 N GLY A 85 -16.815 -20.361 30.071 1.00 62.31 N ATOM 1323 CA GLY A 85 -16.520 -21.516 30.922 1.00 12.41 C ATOM 1324 C GLY A 85 -15.807 -22.637 30.171 1.00 33.11 C ATOM 1325 O GLY A 85 -15.119 -23.464 30.774 1.00 51.52 O ATOM 0 H GLY A 85 -15.991 -19.881 29.711 1.00 62.31 H new ATOM 0 HA2 GLY A 85 -15.901 -21.195 31.760 1.00 12.41 H new ATOM 0 HA3 GLY A 85 -17.450 -21.900 31.341 1.00 12.41 H new ATOM 1329 N SER A 86 -15.984 -22.671 28.853 1.00 40.24 N ATOM 1330 CA SER A 86 -15.332 -23.673 27.996 1.00 62.13 C ATOM 1331 C SER A 86 -13.992 -23.166 27.434 1.00 54.20 C ATOM 1332 O SER A 86 -13.710 -21.963 27.428 1.00 63.22 O ATOM 1333 CB SER A 86 -16.262 -24.062 26.843 1.00 31.33 C ATOM 1334 OG SER A 86 -16.630 -22.926 26.077 1.00 45.32 O ATOM 0 H SER A 86 -16.577 -22.013 28.347 1.00 40.24 H new ATOM 0 HA SER A 86 -15.124 -24.547 28.614 1.00 62.13 H new ATOM 0 HB2 SER A 86 -15.766 -24.791 26.202 1.00 31.33 H new ATOM 0 HB3 SER A 86 -17.157 -24.542 27.240 1.00 31.33 H new ATOM 0 HG SER A 86 -17.374 -22.463 26.516 1.00 45.32 H new ATOM 1340 N GLU A 87 -13.177 -24.098 26.943 1.00 31.22 N ATOM 1341 CA GLU A 87 -11.829 -23.784 26.441 1.00 2.00 C ATOM 1342 C GLU A 87 -11.670 -24.117 24.945 1.00 52.45 C ATOM 1343 O GLU A 87 -12.419 -24.924 24.386 1.00 62.23 O ATOM 1344 CB GLU A 87 -10.782 -24.546 27.270 1.00 73.13 C ATOM 1345 CG GLU A 87 -11.131 -26.014 27.494 1.00 31.31 C ATOM 1346 CD GLU A 87 -10.100 -26.769 28.320 1.00 74.34 C ATOM 1347 OE1 GLU A 87 -9.697 -26.271 29.393 1.00 74.41 O ATOM 1348 OE2 GLU A 87 -9.694 -27.880 27.909 1.00 30.15 O ATOM 0 H GLU A 87 -13.424 -25.086 26.880 1.00 31.22 H new ATOM 0 HA GLU A 87 -11.676 -22.710 26.546 1.00 2.00 H new ATOM 0 HB2 GLU A 87 -9.817 -24.483 26.767 1.00 73.13 H new ATOM 0 HB3 GLU A 87 -10.670 -24.056 28.237 1.00 73.13 H new ATOM 0 HG2 GLU A 87 -12.099 -26.076 27.992 1.00 31.31 H new ATOM 0 HG3 GLU A 87 -11.238 -26.504 26.527 1.00 31.31 H new ATOM 1355 N GLU A 88 -10.686 -23.485 24.307 1.00 21.23 N ATOM 1356 CA GLU A 88 -10.401 -23.701 22.881 1.00 72.54 C ATOM 1357 C GLU A 88 -8.879 -23.744 22.629 1.00 44.31 C ATOM 1358 O GLU A 88 -8.099 -23.312 23.469 1.00 64.01 O ATOM 1359 CB GLU A 88 -11.050 -22.577 22.050 1.00 62.23 C ATOM 1360 CG GLU A 88 -10.867 -22.720 20.539 1.00 30.44 C ATOM 1361 CD GLU A 88 -11.535 -23.966 19.972 1.00 54.02 C ATOM 1362 OE1 GLU A 88 -10.925 -25.056 20.037 1.00 12.10 O ATOM 1363 OE2 GLU A 88 -12.670 -23.862 19.459 1.00 5.53 O ATOM 0 H GLU A 88 -10.065 -22.812 24.756 1.00 21.23 H new ATOM 0 HA GLU A 88 -10.821 -24.660 22.579 1.00 72.54 H new ATOM 0 HB2 GLU A 88 -12.117 -22.547 22.273 1.00 62.23 H new ATOM 0 HB3 GLU A 88 -10.631 -21.621 22.365 1.00 62.23 H new ATOM 0 HG2 GLU A 88 -11.276 -21.839 20.044 1.00 30.44 H new ATOM 0 HG3 GLU A 88 -9.802 -22.749 20.309 1.00 30.44 H new ATOM 1370 N ARG A 89 -8.464 -24.270 21.477 1.00 53.22 N ATOM 1371 CA ARG A 89 -7.036 -24.346 21.119 1.00 53.40 C ATOM 1372 C ARG A 89 -6.774 -23.807 19.701 1.00 20.22 C ATOM 1373 O ARG A 89 -7.451 -24.192 18.745 1.00 34.34 O ATOM 1374 CB ARG A 89 -6.555 -25.802 21.225 1.00 33.55 C ATOM 1375 CG ARG A 89 -7.384 -26.785 20.400 1.00 74.24 C ATOM 1376 CD ARG A 89 -6.934 -28.229 20.597 1.00 44.31 C ATOM 1377 NE ARG A 89 -5.604 -28.487 20.048 1.00 61.54 N ATOM 1378 CZ ARG A 89 -5.044 -29.666 20.011 1.00 43.02 C ATOM 1379 NH1 ARG A 89 -5.665 -30.711 20.464 1.00 44.14 N ATOM 1380 NH2 ARG A 89 -3.865 -29.800 19.504 1.00 44.44 N ATOM 0 H ARG A 89 -9.093 -24.652 20.770 1.00 53.22 H new ATOM 0 HA ARG A 89 -6.480 -23.721 21.817 1.00 53.40 H new ATOM 0 HB2 ARG A 89 -5.516 -25.856 20.901 1.00 33.55 H new ATOM 0 HB3 ARG A 89 -6.580 -26.108 22.271 1.00 33.55 H new ATOM 0 HG2 ARG A 89 -8.434 -26.693 20.677 1.00 74.24 H new ATOM 0 HG3 ARG A 89 -7.309 -26.524 19.344 1.00 74.24 H new ATOM 0 HD2 ARG A 89 -6.934 -28.463 21.662 1.00 44.31 H new ATOM 0 HD3 ARG A 89 -7.654 -28.897 20.124 1.00 44.31 H new ATOM 0 HE ARG A 89 -5.081 -27.697 19.670 1.00 61.54 H new ATOM 0 HH11 ARG A 89 -6.602 -30.618 20.855 1.00 44.14 H new ATOM 0 HH12 ARG A 89 -5.216 -31.626 20.429 1.00 44.14 H new ATOM 0 HH21 ARG A 89 -3.374 -28.986 19.134 1.00 44.44 H new ATOM 0 HH22 ARG A 89 -3.424 -30.719 19.473 1.00 44.44 H new ATOM 1394 N PHE A 90 -5.786 -22.920 19.563 1.00 44.23 N ATOM 1395 CA PHE A 90 -5.434 -22.359 18.249 1.00 64.22 C ATOM 1396 C PHE A 90 -3.921 -22.449 17.978 1.00 52.22 C ATOM 1397 O PHE A 90 -3.100 -21.999 18.782 1.00 1.45 O ATOM 1398 CB PHE A 90 -5.917 -20.899 18.133 1.00 23.43 C ATOM 1399 CG PHE A 90 -5.159 -19.907 18.987 1.00 15.23 C ATOM 1400 CD1 PHE A 90 -5.356 -19.850 20.359 1.00 62.13 C ATOM 1401 CD2 PHE A 90 -4.253 -19.024 18.410 1.00 53.33 C ATOM 1402 CE1 PHE A 90 -4.667 -18.938 21.136 1.00 53.54 C ATOM 1403 CE2 PHE A 90 -3.563 -18.112 19.184 1.00 75.12 C ATOM 1404 CZ PHE A 90 -3.769 -18.070 20.548 1.00 13.34 C ATOM 0 H PHE A 90 -5.217 -22.575 20.336 1.00 44.23 H new ATOM 0 HA PHE A 90 -5.941 -22.957 17.492 1.00 64.22 H new ATOM 0 HB2 PHE A 90 -5.844 -20.589 17.091 1.00 23.43 H new ATOM 0 HB3 PHE A 90 -6.972 -20.858 18.404 1.00 23.43 H new ATOM 0 HD1 PHE A 90 -6.056 -20.527 20.826 1.00 62.13 H new ATOM 0 HD2 PHE A 90 -4.087 -19.052 17.343 1.00 53.33 H new ATOM 0 HE1 PHE A 90 -4.831 -18.904 22.203 1.00 53.54 H new ATOM 0 HE2 PHE A 90 -2.863 -17.432 18.722 1.00 75.12 H new ATOM 0 HZ PHE A 90 -3.228 -17.359 21.155 1.00 13.34 H new ATOM 1414 N SER A 91 -3.555 -23.041 16.840 1.00 5.12 N ATOM 1415 CA SER A 91 -2.143 -23.149 16.446 1.00 34.24 C ATOM 1416 C SER A 91 -1.595 -21.800 15.961 1.00 11.24 C ATOM 1417 O SER A 91 -1.690 -21.465 14.777 1.00 22.21 O ATOM 1418 CB SER A 91 -1.955 -24.210 15.353 1.00 13.24 C ATOM 1419 OG SER A 91 -0.597 -24.288 14.941 1.00 63.51 O ATOM 0 H SER A 91 -4.211 -23.452 16.176 1.00 5.12 H new ATOM 0 HA SER A 91 -1.583 -23.453 17.331 1.00 34.24 H new ATOM 0 HB2 SER A 91 -2.281 -25.181 15.725 1.00 13.24 H new ATOM 0 HB3 SER A 91 -2.584 -23.969 14.496 1.00 13.24 H new ATOM 0 HG SER A 91 -0.303 -25.223 14.957 1.00 63.51 H new ATOM 1425 N TYR A 92 -1.017 -21.044 16.894 1.00 5.14 N ATOM 1426 CA TYR A 92 -0.513 -19.681 16.642 1.00 32.22 C ATOM 1427 C TYR A 92 0.307 -19.549 15.337 1.00 5.43 C ATOM 1428 O TYR A 92 0.174 -18.564 14.611 1.00 25.21 O ATOM 1429 CB TYR A 92 0.349 -19.225 17.834 1.00 52.14 C ATOM 1430 CG TYR A 92 1.639 -20.021 18.002 1.00 14.43 C ATOM 1431 CD1 TYR A 92 1.612 -21.346 18.428 1.00 4.32 C ATOM 1432 CD2 TYR A 92 2.879 -19.452 17.721 1.00 71.54 C ATOM 1433 CE1 TYR A 92 2.778 -22.076 18.568 1.00 1.20 C ATOM 1434 CE2 TYR A 92 4.048 -20.176 17.862 1.00 65.31 C ATOM 1435 CZ TYR A 92 3.992 -21.487 18.282 1.00 51.03 C ATOM 1436 OH TYR A 92 5.154 -22.213 18.419 1.00 52.23 O ATOM 0 H TYR A 92 -0.881 -21.356 17.855 1.00 5.14 H new ATOM 0 HA TYR A 92 -1.390 -19.045 16.523 1.00 32.22 H new ATOM 0 HB2 TYR A 92 0.597 -18.171 17.708 1.00 52.14 H new ATOM 0 HB3 TYR A 92 -0.239 -19.307 18.748 1.00 52.14 H new ATOM 0 HD1 TYR A 92 0.664 -21.812 18.653 1.00 4.32 H new ATOM 0 HD2 TYR A 92 2.928 -18.426 17.387 1.00 71.54 H new ATOM 0 HE1 TYR A 92 2.738 -23.103 18.900 1.00 1.20 H new ATOM 0 HE2 TYR A 92 5.001 -19.716 17.644 1.00 65.31 H new ATOM 0 HH TYR A 92 5.920 -21.652 18.177 1.00 52.23 H new ATOM 1446 N LYS A 93 1.151 -20.540 15.042 1.00 31.25 N ATOM 1447 CA LYS A 93 2.097 -20.437 13.917 1.00 31.30 C ATOM 1448 C LYS A 93 1.449 -20.689 12.542 1.00 20.15 C ATOM 1449 O LYS A 93 2.016 -20.323 11.511 1.00 43.12 O ATOM 1450 CB LYS A 93 3.287 -21.387 14.127 1.00 73.33 C ATOM 1451 CG LYS A 93 2.926 -22.868 14.221 1.00 65.12 C ATOM 1452 CD LYS A 93 4.183 -23.722 14.391 1.00 75.24 C ATOM 1453 CE LYS A 93 3.867 -25.212 14.469 1.00 64.34 C ATOM 1454 NZ LYS A 93 5.104 -26.035 14.589 1.00 73.41 N ATOM 0 H LYS A 93 1.203 -21.418 15.559 1.00 31.25 H new ATOM 0 HA LYS A 93 2.447 -19.405 13.908 1.00 31.30 H new ATOM 0 HB2 LYS A 93 3.989 -21.252 13.304 1.00 73.33 H new ATOM 0 HB3 LYS A 93 3.806 -21.097 15.040 1.00 73.33 H new ATOM 0 HG2 LYS A 93 2.253 -23.031 15.063 1.00 65.12 H new ATOM 0 HG3 LYS A 93 2.391 -23.175 13.322 1.00 65.12 H new ATOM 0 HD2 LYS A 93 4.859 -23.540 13.555 1.00 75.24 H new ATOM 0 HD3 LYS A 93 4.707 -23.416 15.297 1.00 75.24 H new ATOM 0 HE2 LYS A 93 3.220 -25.402 15.325 1.00 64.34 H new ATOM 0 HE3 LYS A 93 3.315 -25.513 13.579 1.00 64.34 H new ATOM 0 HZ1 LYS A 93 4.848 -27.042 14.639 1.00 73.41 H new ATOM 0 HZ2 LYS A 93 5.710 -25.873 13.760 1.00 73.41 H new ATOM 0 HZ3 LYS A 93 5.618 -25.765 15.452 1.00 73.41 H new ATOM 1468 N LYS A 94 0.262 -21.286 12.518 1.00 61.34 N ATOM 1469 CA LYS A 94 -0.410 -21.590 11.246 1.00 74.44 C ATOM 1470 C LYS A 94 -1.253 -20.398 10.759 1.00 73.53 C ATOM 1471 O LYS A 94 -2.484 -20.451 10.738 1.00 70.24 O ATOM 1472 CB LYS A 94 -1.273 -22.857 11.374 1.00 13.32 C ATOM 1473 CG LYS A 94 -0.462 -24.114 11.682 1.00 70.22 C ATOM 1474 CD LYS A 94 -1.332 -25.369 11.715 1.00 70.15 C ATOM 1475 CE LYS A 94 -0.514 -26.608 12.073 1.00 5.54 C ATOM 1476 NZ LYS A 94 -1.322 -27.855 11.995 1.00 13.33 N ATOM 0 H LYS A 94 -0.255 -21.569 13.351 1.00 61.34 H new ATOM 0 HA LYS A 94 0.361 -21.776 10.498 1.00 74.44 H new ATOM 0 HB2 LYS A 94 -2.011 -22.707 12.162 1.00 13.32 H new ATOM 0 HB3 LYS A 94 -1.824 -23.008 10.446 1.00 13.32 H new ATOM 0 HG2 LYS A 94 0.318 -24.234 10.930 1.00 70.22 H new ATOM 0 HG3 LYS A 94 0.038 -23.995 12.643 1.00 70.22 H new ATOM 0 HD2 LYS A 94 -2.133 -25.238 12.442 1.00 70.15 H new ATOM 0 HD3 LYS A 94 -1.804 -25.512 10.743 1.00 70.15 H new ATOM 0 HE2 LYS A 94 0.338 -26.686 11.398 1.00 5.54 H new ATOM 0 HE3 LYS A 94 -0.114 -26.499 13.081 1.00 5.54 H new ATOM 0 HZ1 LYS A 94 -0.804 -28.633 12.451 1.00 13.33 H new ATOM 0 HZ2 LYS A 94 -2.230 -27.711 12.482 1.00 13.33 H new ATOM 0 HZ3 LYS A 94 -1.498 -28.093 10.998 1.00 13.33 H new ATOM 1490 N CYS A 95 -0.567 -19.316 10.382 1.00 73.11 N ATOM 1491 CA CYS A 95 -1.228 -18.101 9.876 1.00 45.10 C ATOM 1492 C CYS A 95 -0.228 -17.176 9.162 1.00 42.52 C ATOM 1493 O CYS A 95 -0.402 -15.953 9.125 1.00 33.03 O ATOM 1494 CB CYS A 95 -1.911 -17.342 11.022 1.00 34.12 C ATOM 1495 SG CYS A 95 -0.784 -16.739 12.303 1.00 4.23 S ATOM 0 H CYS A 95 0.450 -19.253 10.416 1.00 73.11 H new ATOM 0 HA CYS A 95 -1.982 -18.414 9.154 1.00 45.10 H new ATOM 0 HB2 CYS A 95 -2.454 -16.494 10.606 1.00 34.12 H new ATOM 0 HB3 CYS A 95 -2.649 -17.997 11.485 1.00 34.12 H new ATOM 0 HG CYS A 95 -0.540 -17.694 13.150 1.00 4.23 H new ATOM 1501 N VAL A 96 0.814 -17.769 8.583 1.00 62.41 N ATOM 1502 CA VAL A 96 1.834 -17.012 7.845 1.00 73.44 C ATOM 1503 C VAL A 96 1.361 -16.743 6.409 1.00 35.43 C ATOM 1504 O VAL A 96 1.583 -15.667 5.843 1.00 75.31 O ATOM 1505 CB VAL A 96 3.180 -17.782 7.811 1.00 31.03 C ATOM 1506 CG1 VAL A 96 4.280 -16.946 7.160 1.00 5.22 C ATOM 1507 CG2 VAL A 96 3.586 -18.221 9.216 1.00 60.43 C ATOM 0 H VAL A 96 0.978 -18.775 8.609 1.00 62.41 H new ATOM 0 HA VAL A 96 1.987 -16.064 8.360 1.00 73.44 H new ATOM 0 HB VAL A 96 3.040 -18.675 7.202 1.00 31.03 H new ATOM 0 HG11 VAL A 96 5.211 -17.513 7.151 1.00 5.22 H new ATOM 0 HG12 VAL A 96 3.994 -16.702 6.137 1.00 5.22 H new ATOM 0 HG13 VAL A 96 4.421 -16.026 7.727 1.00 5.22 H new ATOM 0 HG21 VAL A 96 4.533 -18.759 9.170 1.00 60.43 H new ATOM 0 HG22 VAL A 96 3.698 -17.344 9.853 1.00 60.43 H new ATOM 0 HG23 VAL A 96 2.817 -18.874 9.630 1.00 60.43 H new ATOM 1517 N LEU A 97 0.704 -17.744 5.837 1.00 1.42 N ATOM 1518 CA LEU A 97 0.118 -17.654 4.500 1.00 33.11 C ATOM 1519 C LEU A 97 -1.272 -18.315 4.522 1.00 25.14 C ATOM 1520 O LEU A 97 -2.301 -17.646 4.397 1.00 73.13 O ATOM 1521 CB LEU A 97 1.052 -18.343 3.479 1.00 1.33 C ATOM 1522 CG LEU A 97 0.923 -17.882 2.010 1.00 30.01 C ATOM 1523 CD1 LEU A 97 2.002 -18.531 1.149 1.00 44.52 C ATOM 1524 CD2 LEU A 97 -0.463 -18.192 1.445 1.00 51.12 C ATOM 0 H LEU A 97 0.560 -18.648 6.288 1.00 1.42 H new ATOM 0 HA LEU A 97 0.005 -16.612 4.202 1.00 33.11 H new ATOM 0 HB2 LEU A 97 2.082 -18.185 3.798 1.00 1.33 H new ATOM 0 HB3 LEU A 97 0.868 -19.417 3.518 1.00 1.33 H new ATOM 0 HG LEU A 97 1.058 -16.801 1.991 1.00 30.01 H new ATOM 0 HD11 LEU A 97 1.896 -18.195 0.118 1.00 44.52 H new ATOM 0 HD12 LEU A 97 2.986 -18.248 1.523 1.00 44.52 H new ATOM 0 HD13 LEU A 97 1.897 -19.615 1.190 1.00 44.52 H new ATOM 0 HD21 LEU A 97 -0.518 -17.854 0.410 1.00 51.12 H new ATOM 0 HD22 LEU A 97 -0.641 -19.267 1.486 1.00 51.12 H new ATOM 0 HD23 LEU A 97 -1.220 -17.677 2.036 1.00 51.12 H new ATOM 1536 N GLU A 98 -1.285 -19.637 4.709 1.00 71.02 N ATOM 1537 CA GLU A 98 -2.531 -20.404 4.845 1.00 54.35 C ATOM 1538 C GLU A 98 -2.364 -21.562 5.843 1.00 45.54 C ATOM 1539 O GLU A 98 -1.262 -21.845 6.311 1.00 2.25 O ATOM 1540 CB GLU A 98 -2.986 -20.959 3.480 1.00 51.24 C ATOM 1541 CG GLU A 98 -3.529 -19.905 2.519 1.00 75.32 C ATOM 1542 CD GLU A 98 -3.912 -20.486 1.168 1.00 53.41 C ATOM 1543 OE1 GLU A 98 -5.042 -21.009 1.039 1.00 4.11 O ATOM 1544 OE2 GLU A 98 -3.079 -20.446 0.240 1.00 53.41 O ATOM 0 H GLU A 98 -0.440 -20.205 4.770 1.00 71.02 H new ATOM 0 HA GLU A 98 -3.293 -19.723 5.224 1.00 54.35 H new ATOM 0 HB2 GLU A 98 -2.143 -21.464 3.008 1.00 51.24 H new ATOM 0 HB3 GLU A 98 -3.756 -21.712 3.646 1.00 51.24 H new ATOM 0 HG2 GLU A 98 -4.401 -19.427 2.965 1.00 75.32 H new ATOM 0 HG3 GLU A 98 -2.778 -19.128 2.376 1.00 75.32 H new ATOM 1551 N HIS A 99 -3.475 -22.213 6.178 1.00 10.33 N ATOM 1552 CA HIS A 99 -3.458 -23.414 7.026 1.00 34.24 C ATOM 1553 C HIS A 99 -2.549 -24.517 6.443 1.00 5.44 C ATOM 1554 O HIS A 99 -2.529 -24.744 5.232 1.00 22.41 O ATOM 1555 CB HIS A 99 -4.892 -23.942 7.200 1.00 55.42 C ATOM 1556 CG HIS A 99 -5.676 -23.994 5.916 1.00 45.34 C ATOM 1557 ND1 HIS A 99 -6.759 -23.179 5.661 1.00 33.15 N ATOM 1558 CD2 HIS A 99 -5.517 -24.755 4.804 1.00 0.00 C ATOM 1559 CE1 HIS A 99 -7.230 -23.435 4.457 1.00 73.12 C ATOM 1560 NE2 HIS A 99 -6.495 -24.383 3.918 1.00 12.20 N ATOM 0 H HIS A 99 -4.407 -21.931 5.875 1.00 10.33 H new ATOM 0 HA HIS A 99 -3.048 -23.136 7.997 1.00 34.24 H new ATOM 0 HB2 HIS A 99 -4.852 -24.942 7.632 1.00 55.42 H new ATOM 0 HB3 HIS A 99 -5.420 -23.308 7.912 1.00 55.42 H new ATOM 0 HD2 HIS A 99 -4.762 -25.511 4.646 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -8.075 -22.949 3.992 1.00 73.12 H new ATOM 0 HE2 HIS A 99 -6.631 -24.779 2.988 1.00 12.20 H new ATOM 1569 N HIS A 100 -1.799 -25.194 7.313 1.00 24.53 N ATOM 1570 CA HIS A 100 -0.906 -26.288 6.899 1.00 22.51 C ATOM 1571 C HIS A 100 -1.011 -27.478 7.867 1.00 5.44 C ATOM 1572 O HIS A 100 -1.022 -27.301 9.086 1.00 35.21 O ATOM 1573 CB HIS A 100 0.546 -25.788 6.823 1.00 61.33 C ATOM 1574 CG HIS A 100 1.538 -26.845 6.428 1.00 21.24 C ATOM 1575 ND1 HIS A 100 1.558 -27.439 5.183 1.00 73.03 N ATOM 1576 CD2 HIS A 100 2.552 -27.414 7.125 1.00 0.04 C ATOM 1577 CE1 HIS A 100 2.536 -28.321 5.132 1.00 15.43 C ATOM 1578 NE2 HIS A 100 3.154 -28.325 6.294 1.00 54.31 N ATOM 0 H HIS A 100 -1.789 -25.006 8.315 1.00 24.53 H new ATOM 0 HA HIS A 100 -1.215 -26.626 5.910 1.00 22.51 H new ATOM 0 HB2 HIS A 100 0.600 -24.968 6.107 1.00 61.33 H new ATOM 0 HB3 HIS A 100 0.831 -25.382 7.794 1.00 61.33 H new ATOM 0 HD2 HIS A 100 2.833 -27.192 8.144 1.00 0.04 H new ATOM 0 HE1 HIS A 100 2.788 -28.936 4.281 1.00 15.43 H new ATOM 0 HE2 HIS A 100 3.952 -28.911 6.538 1.00 54.31 H new ATOM 1587 N HIS A 101 -1.080 -28.686 7.317 1.00 63.12 N ATOM 1588 CA HIS A 101 -1.245 -29.901 8.125 1.00 62.44 C ATOM 1589 C HIS A 101 0.086 -30.398 8.710 1.00 73.41 C ATOM 1590 O HIS A 101 1.165 -29.948 8.320 1.00 12.43 O ATOM 1591 CB HIS A 101 -1.896 -31.007 7.288 1.00 24.03 C ATOM 1592 CG HIS A 101 -3.270 -30.650 6.807 1.00 73.21 C ATOM 1593 ND1 HIS A 101 -3.533 -30.210 5.528 1.00 23.05 N ATOM 1594 CD2 HIS A 101 -4.464 -30.658 7.448 1.00 21.54 C ATOM 1595 CE1 HIS A 101 -4.821 -29.963 5.405 1.00 53.41 C ATOM 1596 NE2 HIS A 101 -5.407 -30.227 6.552 1.00 52.32 N ATOM 0 H HIS A 101 -1.025 -28.855 6.313 1.00 63.12 H new ATOM 0 HA HIS A 101 -1.893 -29.646 8.963 1.00 62.44 H new ATOM 0 HB2 HIS A 101 -1.262 -31.225 6.428 1.00 24.03 H new ATOM 0 HB3 HIS A 101 -1.951 -31.919 7.882 1.00 24.03 H new ATOM 0 HD2 HIS A 101 -4.639 -30.949 8.473 1.00 21.54 H new ATOM 0 HE1 HIS A 101 -5.313 -29.604 4.513 1.00 53.41 H new ATOM 0 HE2 HIS A 101 -6.404 -30.127 6.744 1.00 52.32 H new ATOM 1605 N HIS A 102 -0.006 -31.340 9.644 1.00 65.53 N ATOM 1606 CA HIS A 102 1.169 -31.852 10.352 1.00 2.31 C ATOM 1607 C HIS A 102 1.749 -33.100 9.656 1.00 72.12 C ATOM 1608 O HIS A 102 1.018 -33.886 9.048 1.00 11.23 O ATOM 1609 CB HIS A 102 0.779 -32.182 11.799 1.00 53.15 C ATOM 1610 CG HIS A 102 1.941 -32.412 12.713 1.00 53.32 C ATOM 1611 ND1 HIS A 102 2.421 -33.666 13.024 1.00 71.45 N ATOM 1612 CD2 HIS A 102 2.720 -31.538 13.394 1.00 33.33 C ATOM 1613 CE1 HIS A 102 3.434 -33.556 13.855 1.00 45.13 C ATOM 1614 NE2 HIS A 102 3.636 -32.278 14.095 1.00 35.24 N ATOM 0 H HIS A 102 -0.886 -31.768 9.931 1.00 65.53 H new ATOM 0 HA HIS A 102 1.943 -31.085 10.343 1.00 2.31 H new ATOM 0 HB2 HIS A 102 0.176 -31.365 12.196 1.00 53.15 H new ATOM 0 HB3 HIS A 102 0.150 -33.072 11.799 1.00 53.15 H new ATOM 0 HD2 HIS A 102 2.635 -30.461 13.386 1.00 33.33 H new ATOM 0 HE1 HIS A 102 4.003 -34.375 14.270 1.00 45.13 H new ATOM 0 HE2 HIS A 102 4.359 -31.898 14.706 1.00 35.24 H new ATOM 1623 N HIS A 103 3.070 -33.270 9.736 1.00 12.43 N ATOM 1624 CA HIS A 103 3.744 -34.455 9.181 1.00 24.03 C ATOM 1625 C HIS A 103 4.571 -35.184 10.253 1.00 3.42 C ATOM 1626 O HIS A 103 5.397 -34.577 10.936 1.00 23.54 O ATOM 1627 CB HIS A 103 4.644 -34.061 8.001 1.00 5.11 C ATOM 1628 CG HIS A 103 3.892 -33.680 6.760 1.00 53.42 C ATOM 1629 ND1 HIS A 103 2.528 -33.843 6.616 1.00 52.43 N ATOM 1630 CD2 HIS A 103 4.324 -33.142 5.592 1.00 2.52 C ATOM 1631 CE1 HIS A 103 2.158 -33.428 5.421 1.00 30.52 C ATOM 1632 NE2 HIS A 103 3.225 -32.998 4.783 1.00 51.14 N ATOM 0 H HIS A 103 3.700 -32.602 10.180 1.00 12.43 H new ATOM 0 HA HIS A 103 2.971 -35.137 8.826 1.00 24.03 H new ATOM 0 HB2 HIS A 103 5.275 -33.225 8.302 1.00 5.11 H new ATOM 0 HB3 HIS A 103 5.308 -34.894 7.770 1.00 5.11 H new ATOM 0 HD1 HIS A 103 1.903 -34.226 7.325 1.00 52.43 H new ATOM 0 HD2 HIS A 103 5.341 -32.877 5.345 1.00 2.52 H new ATOM 0 HE1 HIS A 103 1.151 -33.439 5.032 1.00 30.52 H new ATOM 1641 N HIS A 104 4.337 -36.485 10.392 1.00 35.31 N ATOM 1642 CA HIS A 104 5.058 -37.321 11.363 1.00 73.11 C ATOM 1643 C HIS A 104 6.015 -38.302 10.656 1.00 51.13 C ATOM 1644 O HIS A 104 5.527 -39.171 9.898 1.00 37.51 O ATOM 1645 CB HIS A 104 4.054 -38.090 12.232 1.00 75.34 C ATOM 1646 CG HIS A 104 4.694 -39.006 13.235 1.00 31.41 C ATOM 1647 ND1 HIS A 104 5.180 -38.576 14.450 1.00 11.21 N ATOM 1648 CD2 HIS A 104 4.931 -40.341 13.195 1.00 44.13 C ATOM 1649 CE1 HIS A 104 5.682 -39.597 15.110 1.00 2.45 C ATOM 1650 NE2 HIS A 104 5.545 -40.677 14.374 1.00 75.32 N ATOM 1651 OXT HIS A 104 7.240 -38.217 10.883 1.00 37.51 O ATOM 0 H HIS A 104 3.646 -36.994 9.840 1.00 35.31 H new ATOM 0 HA HIS A 104 5.659 -36.669 11.997 1.00 73.11 H new ATOM 0 HB2 HIS A 104 3.422 -37.375 12.759 1.00 75.34 H new ATOM 0 HB3 HIS A 104 3.401 -38.675 11.584 1.00 75.34 H new ATOM 0 HD2 HIS A 104 4.683 -41.013 12.387 1.00 44.13 H new ATOM 0 HE1 HIS A 104 6.131 -39.555 16.091 1.00 2.45 H new ATOM 0 HE2 HIS A 104 5.847 -41.615 14.638 1.00 75.32 H new TER 1660 HIS A 104