USER MOD reduce.3.24.130724 H: found=0, std=0, add=700, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 701 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 17 LYS NZ :NH3+ 150:sc= 1.24 (180deg=-0.00368) USER MOD Set 1.2: A 84 SER OG : rot 160:sc= 1.04 USER MOD Set 2.1: A 45 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 76 LYS NZ :NH3+ 149:sc= -2.1 (180deg=-3.41) USER MOD Set 3.1: A 9 SER OG : rot 160:sc= 0 USER MOD Set 3.2: A 25 SER OG : rot 150:sc= 0 USER MOD Single : A 6 ASN : amide:sc= -4! C(o=-4!,f=-13!) USER MOD Single : A 8 LYS NZ :NH3+ -162:sc= -0.0219 (180deg=-0.514) USER MOD Single : A 11 THR OG1 : rot -100:sc= 0.865 USER MOD Single : A 14 LYS NZ :NH3+ -167:sc= -0.0391 (180deg=-0.238) USER MOD Single : A 18 ASN : amide:sc= -2.14! C(o=-2.1!,f=-3.1!) USER MOD Single : A 21 MET CE :methyl -163:sc= -1.68 (180deg=-2.55) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS : no HD1:sc= -0.363 K(o=-0.36,f=-2.3) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= -2.63 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 142:sc= -1.34 (180deg=-3.71!) USER MOD Single : A 64 LYS NZ :NH3+ -163:sc= -0.109 (180deg=-0.43) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 TYR OH : rot -170:sc= -1.39 USER MOD ----------------------------------------------------------------- ATOM 67 N ASN A 6 -2.309 -7.012 -5.994 1.00 0.27 N ATOM 68 CA ASN A 6 -3.632 -7.629 -5.966 1.00 0.24 C ATOM 69 C ASN A 6 -4.696 -6.609 -5.548 1.00 0.24 C ATOM 70 O ASN A 6 -4.768 -6.240 -4.379 1.00 0.25 O ATOM 71 CB ASN A 6 -3.621 -8.811 -4.993 1.00 0.28 C ATOM 72 CG ASN A 6 -4.887 -9.637 -5.064 1.00 0.92 C ATOM 73 OD1 ASN A 6 -5.805 -9.450 -4.269 1.00 1.72 O ATOM 74 ND2 ASN A 6 -4.940 -10.559 -6.019 1.00 0.87 N ATOM 0 HA ASN A 6 -3.878 -7.985 -6.966 1.00 0.24 H new ATOM 0 HB2 ASN A 6 -2.764 -9.448 -5.211 1.00 0.28 H new ATOM 0 HB3 ASN A 6 -3.491 -8.439 -3.977 1.00 0.28 H new ATOM 0 HD21 ASN A 6 -5.768 -11.147 -6.114 1.00 0.87 H new ATOM 0 HD22 ASN A 6 -4.153 -10.678 -6.657 1.00 0.87 H new ATOM 81 N PRO A 7 -5.554 -6.155 -6.486 1.00 0.25 N ATOM 82 CA PRO A 7 -6.587 -5.157 -6.184 1.00 0.26 C ATOM 83 C PRO A 7 -7.638 -5.663 -5.203 1.00 0.26 C ATOM 84 O PRO A 7 -8.462 -4.890 -4.724 1.00 0.26 O ATOM 85 CB PRO A 7 -7.214 -4.847 -7.544 1.00 0.28 C ATOM 86 CG PRO A 7 -6.892 -6.013 -8.411 1.00 0.43 C ATOM 87 CD PRO A 7 -5.604 -6.591 -7.896 1.00 0.29 C ATOM 0 HA PRO A 7 -6.159 -4.282 -5.696 1.00 0.26 H new ATOM 0 HB2 PRO A 7 -8.292 -4.710 -7.456 1.00 0.28 H new ATOM 0 HB3 PRO A 7 -6.809 -3.925 -7.961 1.00 0.28 H new ATOM 0 HG2 PRO A 7 -7.690 -6.754 -8.375 1.00 0.43 H new ATOM 0 HG3 PRO A 7 -6.789 -5.705 -9.452 1.00 0.43 H new ATOM 0 HD2 PRO A 7 -5.593 -7.678 -7.978 1.00 0.29 H new ATOM 0 HD3 PRO A 7 -4.747 -6.220 -8.459 1.00 0.29 H new ATOM 95 N LYS A 8 -7.635 -6.959 -4.918 1.00 0.30 N ATOM 96 CA LYS A 8 -8.588 -7.504 -3.961 1.00 0.33 C ATOM 97 C LYS A 8 -8.108 -7.221 -2.544 1.00 0.27 C ATOM 98 O LYS A 8 -8.876 -6.783 -1.687 1.00 0.26 O ATOM 99 CB LYS A 8 -8.792 -9.009 -4.157 1.00 0.43 C ATOM 100 CG LYS A 8 -9.271 -9.387 -5.548 1.00 0.77 C ATOM 101 CD LYS A 8 -8.117 -9.827 -6.433 1.00 0.59 C ATOM 102 CE LYS A 8 -8.227 -9.231 -7.823 1.00 0.73 C ATOM 103 NZ LYS A 8 -7.147 -9.717 -8.724 1.00 1.39 N ATOM 0 H LYS A 8 -6.996 -7.641 -5.327 1.00 0.30 H new ATOM 0 HA LYS A 8 -9.549 -7.018 -4.128 1.00 0.33 H new ATOM 0 HB2 LYS A 8 -7.852 -9.523 -3.954 1.00 0.43 H new ATOM 0 HB3 LYS A 8 -9.515 -9.367 -3.424 1.00 0.43 H new ATOM 0 HG2 LYS A 8 -10.003 -10.191 -5.476 1.00 0.77 H new ATOM 0 HG3 LYS A 8 -9.777 -8.536 -6.004 1.00 0.77 H new ATOM 0 HD2 LYS A 8 -7.173 -9.525 -5.980 1.00 0.59 H new ATOM 0 HD3 LYS A 8 -8.104 -10.915 -6.502 1.00 0.59 H new ATOM 0 HE2 LYS A 8 -9.197 -9.484 -8.250 1.00 0.73 H new ATOM 0 HE3 LYS A 8 -8.182 -8.144 -7.756 1.00 0.73 H new ATOM 0 HZ1 LYS A 8 -7.065 -9.081 -9.543 1.00 1.39 H new ATOM 0 HZ2 LYS A 8 -6.245 -9.734 -8.207 1.00 1.39 H new ATOM 0 HZ3 LYS A 8 -7.375 -10.677 -9.053 1.00 1.39 H new ATOM 117 N SER A 9 -6.824 -7.478 -2.311 1.00 0.26 N ATOM 118 CA SER A 9 -6.214 -7.253 -1.007 1.00 0.26 C ATOM 119 C SER A 9 -5.924 -5.774 -0.777 1.00 0.19 C ATOM 120 O SER A 9 -6.120 -5.259 0.324 1.00 0.23 O ATOM 121 CB SER A 9 -4.924 -8.066 -0.886 1.00 0.33 C ATOM 122 OG SER A 9 -5.199 -9.455 -0.823 1.00 0.71 O ATOM 0 H SER A 9 -6.183 -7.845 -3.015 1.00 0.26 H new ATOM 0 HA SER A 9 -6.920 -7.579 -0.243 1.00 0.26 H new ATOM 0 HB2 SER A 9 -4.279 -7.858 -1.740 1.00 0.33 H new ATOM 0 HB3 SER A 9 -4.380 -7.759 0.007 1.00 0.33 H new ATOM 0 HG SER A 9 -4.395 -9.959 -1.066 1.00 0.71 H new ATOM 128 N LEU A 10 -5.452 -5.097 -1.819 1.00 0.15 N ATOM 129 CA LEU A 10 -5.133 -3.678 -1.729 1.00 0.20 C ATOM 130 C LEU A 10 -6.373 -2.848 -1.440 1.00 0.19 C ATOM 131 O LEU A 10 -6.281 -1.645 -1.207 1.00 0.27 O ATOM 132 CB LEU A 10 -4.500 -3.191 -3.030 1.00 0.24 C ATOM 133 CG LEU A 10 -3.234 -3.932 -3.450 1.00 0.27 C ATOM 134 CD1 LEU A 10 -2.869 -3.593 -4.885 1.00 0.47 C ATOM 135 CD2 LEU A 10 -2.090 -3.592 -2.514 1.00 0.50 C ATOM 0 H LEU A 10 -5.282 -5.510 -2.736 1.00 0.15 H new ATOM 0 HA LEU A 10 -4.428 -3.555 -0.907 1.00 0.20 H new ATOM 0 HB2 LEU A 10 -5.236 -3.279 -3.829 1.00 0.24 H new ATOM 0 HB3 LEU A 10 -4.265 -2.131 -2.928 1.00 0.24 H new ATOM 0 HG LEU A 10 -3.423 -5.004 -3.390 1.00 0.27 H new ATOM 0 HD11 LEU A 10 -1.964 -4.131 -5.167 1.00 0.47 H new ATOM 0 HD12 LEU A 10 -3.685 -3.884 -5.546 1.00 0.47 H new ATOM 0 HD13 LEU A 10 -2.696 -2.520 -4.973 1.00 0.47 H new ATOM 0 HD21 LEU A 10 -1.193 -4.128 -2.826 1.00 0.50 H new ATOM 0 HD22 LEU A 10 -1.901 -2.519 -2.545 1.00 0.50 H new ATOM 0 HD23 LEU A 10 -2.352 -3.885 -1.497 1.00 0.50 H new ATOM 147 N THR A 11 -7.535 -3.484 -1.461 1.00 0.14 N ATOM 148 CA THR A 11 -8.773 -2.767 -1.209 1.00 0.18 C ATOM 149 C THR A 11 -9.610 -3.471 -0.148 1.00 0.15 C ATOM 150 O THR A 11 -10.809 -3.221 -0.022 1.00 0.18 O ATOM 151 CB THR A 11 -9.592 -2.611 -2.503 1.00 0.25 C ATOM 152 OG1 THR A 11 -10.271 -3.837 -2.804 1.00 0.31 O ATOM 153 CG2 THR A 11 -8.685 -2.232 -3.673 1.00 0.35 C ATOM 0 H THR A 11 -7.645 -4.481 -1.647 1.00 0.14 H new ATOM 0 HA THR A 11 -8.507 -1.776 -0.840 1.00 0.18 H new ATOM 0 HB THR A 11 -10.323 -1.817 -2.352 1.00 0.25 H new ATOM 0 HG1 THR A 11 -9.770 -4.330 -3.487 1.00 0.31 H new ATOM 0 HG21 THR A 11 -9.283 -2.127 -4.578 1.00 0.35 H new ATOM 0 HG22 THR A 11 -8.186 -1.287 -3.456 1.00 0.35 H new ATOM 0 HG23 THR A 11 -7.937 -3.011 -3.821 1.00 0.35 H new ATOM 161 N ASP A 12 -8.968 -4.351 0.615 1.00 0.11 N ATOM 162 CA ASP A 12 -9.643 -5.079 1.675 1.00 0.12 C ATOM 163 C ASP A 12 -9.139 -4.565 3.017 1.00 0.11 C ATOM 164 O ASP A 12 -7.976 -4.776 3.359 1.00 0.10 O ATOM 165 CB ASP A 12 -9.388 -6.582 1.548 1.00 0.14 C ATOM 166 CG ASP A 12 -10.388 -7.404 2.337 1.00 0.24 C ATOM 167 OD1 ASP A 12 -10.168 -7.602 3.550 1.00 0.51 O ATOM 168 OD2 ASP A 12 -11.390 -7.850 1.742 1.00 0.57 O ATOM 0 H ASP A 12 -7.978 -4.575 0.515 1.00 0.11 H new ATOM 0 HA ASP A 12 -10.718 -4.918 1.599 1.00 0.12 H new ATOM 0 HB2 ASP A 12 -9.434 -6.869 0.497 1.00 0.14 H new ATOM 0 HB3 ASP A 12 -8.380 -6.808 1.896 1.00 0.14 H new ATOM 173 N PRO A 13 -9.999 -3.882 3.797 1.00 0.11 N ATOM 174 CA PRO A 13 -9.610 -3.314 5.087 1.00 0.11 C ATOM 175 C PRO A 13 -8.776 -4.256 5.948 1.00 0.12 C ATOM 176 O PRO A 13 -8.091 -3.812 6.866 1.00 0.13 O ATOM 177 CB PRO A 13 -10.951 -3.023 5.751 1.00 0.12 C ATOM 178 CG PRO A 13 -11.836 -2.676 4.611 1.00 0.12 C ATOM 179 CD PRO A 13 -11.414 -3.585 3.484 1.00 0.11 C ATOM 0 HA PRO A 13 -8.969 -2.441 4.961 1.00 0.11 H new ATOM 0 HB2 PRO A 13 -11.323 -3.889 6.299 1.00 0.12 H new ATOM 0 HB3 PRO A 13 -10.876 -2.202 6.464 1.00 0.12 H new ATOM 0 HG2 PRO A 13 -12.884 -2.829 4.867 1.00 0.12 H new ATOM 0 HG3 PRO A 13 -11.725 -1.628 4.333 1.00 0.12 H new ATOM 0 HD2 PRO A 13 -12.018 -4.492 3.451 1.00 0.11 H new ATOM 0 HD3 PRO A 13 -11.518 -3.098 2.514 1.00 0.11 H new ATOM 187 N LYS A 14 -8.839 -5.552 5.670 1.00 0.13 N ATOM 188 CA LYS A 14 -8.056 -6.513 6.438 1.00 0.15 C ATOM 189 C LYS A 14 -6.575 -6.174 6.305 1.00 0.13 C ATOM 190 O LYS A 14 -5.859 -6.052 7.299 1.00 0.16 O ATOM 191 CB LYS A 14 -8.321 -7.942 5.956 1.00 0.18 C ATOM 192 CG LYS A 14 -8.184 -8.994 7.052 1.00 0.34 C ATOM 193 CD LYS A 14 -6.792 -9.001 7.671 1.00 0.60 C ATOM 194 CE LYS A 14 -5.726 -9.345 6.645 1.00 0.54 C ATOM 195 NZ LYS A 14 -5.942 -10.693 6.050 1.00 1.37 N ATOM 0 H LYS A 14 -9.414 -5.958 4.931 1.00 0.13 H new ATOM 0 HA LYS A 14 -8.351 -6.454 7.486 1.00 0.15 H new ATOM 0 HB2 LYS A 14 -9.326 -7.994 5.538 1.00 0.18 H new ATOM 0 HB3 LYS A 14 -7.627 -8.178 5.149 1.00 0.18 H new ATOM 0 HG2 LYS A 14 -8.925 -8.805 7.829 1.00 0.34 H new ATOM 0 HG3 LYS A 14 -8.401 -9.979 6.638 1.00 0.34 H new ATOM 0 HD2 LYS A 14 -6.580 -8.023 8.103 1.00 0.60 H new ATOM 0 HD3 LYS A 14 -6.759 -9.723 8.487 1.00 0.60 H new ATOM 0 HE2 LYS A 14 -5.728 -8.595 5.854 1.00 0.54 H new ATOM 0 HE3 LYS A 14 -4.744 -9.309 7.116 1.00 0.54 H new ATOM 0 HZ1 LYS A 14 -5.090 -10.983 5.528 1.00 1.37 H new ATOM 0 HZ2 LYS A 14 -6.135 -11.380 6.807 1.00 1.37 H new ATOM 0 HZ3 LYS A 14 -6.752 -10.659 5.399 1.00 1.37 H new ATOM 209 N LEU A 15 -6.131 -6.019 5.065 1.00 0.09 N ATOM 210 CA LEU A 15 -4.750 -5.672 4.771 1.00 0.08 C ATOM 211 C LEU A 15 -4.497 -4.202 5.051 1.00 0.08 C ATOM 212 O LEU A 15 -3.514 -3.834 5.683 1.00 0.09 O ATOM 213 CB LEU A 15 -4.437 -5.949 3.299 1.00 0.08 C ATOM 214 CG LEU A 15 -4.395 -7.419 2.889 1.00 0.10 C ATOM 215 CD1 LEU A 15 -3.395 -8.164 3.752 1.00 0.12 C ATOM 216 CD2 LEU A 15 -5.774 -8.053 2.986 1.00 0.12 C ATOM 0 H LEU A 15 -6.717 -6.130 4.238 1.00 0.09 H new ATOM 0 HA LEU A 15 -4.109 -6.280 5.409 1.00 0.08 H new ATOM 0 HB2 LEU A 15 -5.184 -5.443 2.688 1.00 0.08 H new ATOM 0 HB3 LEU A 15 -3.473 -5.499 3.062 1.00 0.08 H new ATOM 0 HG LEU A 15 -4.078 -7.482 1.848 1.00 0.10 H new ATOM 0 HD11 LEU A 15 -3.369 -9.213 3.456 1.00 0.12 H new ATOM 0 HD12 LEU A 15 -2.405 -7.726 3.623 1.00 0.12 H new ATOM 0 HD13 LEU A 15 -3.691 -8.090 4.798 1.00 0.12 H new ATOM 0 HD21 LEU A 15 -5.715 -9.100 2.688 1.00 0.12 H new ATOM 0 HD22 LEU A 15 -6.133 -7.988 4.013 1.00 0.12 H new ATOM 0 HD23 LEU A 15 -6.464 -7.527 2.326 1.00 0.12 H new ATOM 228 N LEU A 16 -5.400 -3.371 4.560 1.00 0.10 N ATOM 229 CA LEU A 16 -5.296 -1.931 4.719 1.00 0.12 C ATOM 230 C LEU A 16 -5.072 -1.544 6.182 1.00 0.16 C ATOM 231 O LEU A 16 -4.170 -0.765 6.490 1.00 0.27 O ATOM 232 CB LEU A 16 -6.558 -1.276 4.162 1.00 0.10 C ATOM 233 CG LEU A 16 -7.028 -1.851 2.823 1.00 0.10 C ATOM 234 CD1 LEU A 16 -8.429 -1.367 2.487 1.00 0.10 C ATOM 235 CD2 LEU A 16 -6.049 -1.490 1.713 1.00 0.18 C ATOM 0 H LEU A 16 -6.224 -3.675 4.041 1.00 0.10 H new ATOM 0 HA LEU A 16 -4.429 -1.574 4.163 1.00 0.12 H new ATOM 0 HB2 LEU A 16 -7.361 -1.382 4.892 1.00 0.10 H new ATOM 0 HB3 LEU A 16 -6.376 -0.208 4.042 1.00 0.10 H new ATOM 0 HG LEU A 16 -7.060 -2.937 2.911 1.00 0.10 H new ATOM 0 HD11 LEU A 16 -8.740 -1.789 1.531 1.00 0.10 H new ATOM 0 HD12 LEU A 16 -9.121 -1.685 3.267 1.00 0.10 H new ATOM 0 HD13 LEU A 16 -8.432 -0.279 2.421 1.00 0.10 H new ATOM 0 HD21 LEU A 16 -6.399 -1.907 0.769 1.00 0.18 H new ATOM 0 HD22 LEU A 16 -5.980 -0.406 1.627 1.00 0.18 H new ATOM 0 HD23 LEU A 16 -5.066 -1.899 1.948 1.00 0.18 H new ATOM 247 N LYS A 17 -5.891 -2.086 7.079 1.00 0.14 N ATOM 248 CA LYS A 17 -5.749 -1.803 8.504 1.00 0.17 C ATOM 249 C LYS A 17 -4.455 -2.415 9.026 1.00 0.18 C ATOM 250 O LYS A 17 -3.869 -1.934 9.996 1.00 0.22 O ATOM 251 CB LYS A 17 -6.933 -2.365 9.291 1.00 0.19 C ATOM 252 CG LYS A 17 -8.264 -1.729 8.944 1.00 0.20 C ATOM 253 CD LYS A 17 -9.411 -2.509 9.559 1.00 0.24 C ATOM 254 CE LYS A 17 -10.751 -1.888 9.225 1.00 0.31 C ATOM 255 NZ LYS A 17 -11.882 -2.699 9.752 1.00 0.88 N ATOM 0 H LYS A 17 -6.656 -2.720 6.847 1.00 0.14 H new ATOM 0 HA LYS A 17 -5.724 -0.721 8.637 1.00 0.17 H new ATOM 0 HB2 LYS A 17 -6.998 -3.438 9.112 1.00 0.19 H new ATOM 0 HB3 LYS A 17 -6.745 -2.230 10.356 1.00 0.19 H new ATOM 0 HG2 LYS A 17 -8.285 -0.700 9.303 1.00 0.20 H new ATOM 0 HG3 LYS A 17 -8.383 -1.692 7.861 1.00 0.20 H new ATOM 0 HD2 LYS A 17 -9.386 -3.538 9.199 1.00 0.24 H new ATOM 0 HD3 LYS A 17 -9.287 -2.547 10.641 1.00 0.24 H new ATOM 0 HE2 LYS A 17 -10.800 -0.882 9.642 1.00 0.31 H new ATOM 0 HE3 LYS A 17 -10.847 -1.790 8.144 1.00 0.31 H new ATOM 0 HZ1 LYS A 17 -12.684 -2.075 9.972 1.00 0.88 H new ATOM 0 HZ2 LYS A 17 -12.172 -3.396 9.037 1.00 0.88 H new ATOM 0 HZ3 LYS A 17 -11.581 -3.194 10.616 1.00 0.88 H new ATOM 269 N ASN A 18 -4.021 -3.482 8.365 1.00 0.14 N ATOM 270 CA ASN A 18 -2.799 -4.178 8.733 1.00 0.15 C ATOM 271 C ASN A 18 -1.762 -3.979 7.641 1.00 0.13 C ATOM 272 O ASN A 18 -1.405 -4.923 6.942 1.00 0.11 O ATOM 273 CB ASN A 18 -3.076 -5.676 8.917 1.00 0.16 C ATOM 274 CG ASN A 18 -2.177 -6.312 9.960 1.00 0.24 C ATOM 275 OD1 ASN A 18 -1.630 -5.630 10.826 1.00 0.50 O ATOM 276 ND2 ASN A 18 -2.034 -7.631 9.889 1.00 0.53 N ATOM 0 H ASN A 18 -4.505 -3.886 7.563 1.00 0.14 H new ATOM 0 HA ASN A 18 -2.425 -3.773 9.674 1.00 0.15 H new ATOM 0 HB2 ASN A 18 -4.118 -5.816 9.206 1.00 0.16 H new ATOM 0 HB3 ASN A 18 -2.938 -6.187 7.964 1.00 0.16 H new ATOM 0 HD21 ASN A 18 -1.452 -8.118 10.570 1.00 0.53 H new ATOM 0 HD22 ASN A 18 -2.507 -8.156 9.153 1.00 0.53 H new ATOM 283 N ILE A 19 -1.300 -2.738 7.486 1.00 0.13 N ATOM 284 CA ILE A 19 -0.317 -2.408 6.458 1.00 0.12 C ATOM 285 C ILE A 19 0.740 -3.505 6.310 1.00 0.10 C ATOM 286 O ILE A 19 1.026 -3.928 5.193 1.00 0.09 O ATOM 287 CB ILE A 19 0.363 -1.046 6.722 1.00 0.15 C ATOM 288 CG1 ILE A 19 -0.609 0.104 6.424 1.00 0.20 C ATOM 289 CG2 ILE A 19 1.630 -0.898 5.886 1.00 0.19 C ATOM 290 CD1 ILE A 19 -1.034 0.196 4.968 1.00 0.49 C ATOM 0 H ILE A 19 -1.591 -1.946 8.060 1.00 0.13 H new ATOM 0 HA ILE A 19 -0.868 -2.334 5.520 1.00 0.12 H new ATOM 0 HB ILE A 19 0.643 -1.005 7.775 1.00 0.15 H new ATOM 0 HG12 ILE A 19 -1.498 -0.016 7.044 1.00 0.20 H new ATOM 0 HG13 ILE A 19 -0.142 1.045 6.715 1.00 0.20 H new ATOM 0 HG21 ILE A 19 2.090 0.069 6.090 1.00 0.19 H new ATOM 0 HG22 ILE A 19 2.330 -1.694 6.142 1.00 0.19 H new ATOM 0 HG23 ILE A 19 1.377 -0.963 4.828 1.00 0.19 H new ATOM 0 HD11 ILE A 19 -1.720 1.034 4.841 1.00 0.49 H new ATOM 0 HD12 ILE A 19 -0.155 0.349 4.341 1.00 0.49 H new ATOM 0 HD13 ILE A 19 -1.532 -0.728 4.675 1.00 0.49 H new ATOM 302 N PRO A 20 1.359 -3.970 7.416 1.00 0.12 N ATOM 303 CA PRO A 20 2.353 -5.042 7.345 1.00 0.12 C ATOM 304 C PRO A 20 1.852 -6.194 6.485 1.00 0.11 C ATOM 305 O PRO A 20 2.573 -6.735 5.646 1.00 0.14 O ATOM 306 CB PRO A 20 2.479 -5.488 8.796 1.00 0.14 C ATOM 307 CG PRO A 20 2.210 -4.253 9.579 1.00 0.15 C ATOM 308 CD PRO A 20 1.170 -3.491 8.801 1.00 0.14 C ATOM 0 HA PRO A 20 3.295 -4.719 6.901 1.00 0.12 H new ATOM 0 HB2 PRO A 20 1.764 -6.275 9.035 1.00 0.14 H new ATOM 0 HB3 PRO A 20 3.472 -5.885 9.006 1.00 0.14 H new ATOM 0 HG2 PRO A 20 1.850 -4.495 10.579 1.00 0.15 H new ATOM 0 HG3 PRO A 20 3.118 -3.662 9.701 1.00 0.15 H new ATOM 0 HD2 PRO A 20 0.164 -3.699 9.164 1.00 0.14 H new ATOM 0 HD3 PRO A 20 1.320 -2.414 8.878 1.00 0.14 H new ATOM 316 N MET A 21 0.597 -6.551 6.719 1.00 0.10 N ATOM 317 CA MET A 21 -0.070 -7.616 5.988 1.00 0.10 C ATOM 318 C MET A 21 -0.340 -7.170 4.551 1.00 0.08 C ATOM 319 O MET A 21 -0.171 -7.936 3.604 1.00 0.10 O ATOM 320 CB MET A 21 -1.373 -7.953 6.710 1.00 0.13 C ATOM 321 CG MET A 21 -1.830 -9.396 6.558 1.00 0.25 C ATOM 322 SD MET A 21 -1.204 -10.479 7.862 1.00 0.94 S ATOM 323 CE MET A 21 0.556 -10.464 7.531 1.00 0.54 C ATOM 0 H MET A 21 0.011 -6.107 7.426 1.00 0.10 H new ATOM 0 HA MET A 21 0.561 -8.504 5.949 1.00 0.10 H new ATOM 0 HB2 MET A 21 -1.251 -7.735 7.771 1.00 0.13 H new ATOM 0 HB3 MET A 21 -2.159 -7.296 6.337 1.00 0.13 H new ATOM 0 HG2 MET A 21 -2.920 -9.428 6.559 1.00 0.25 H new ATOM 0 HG3 MET A 21 -1.501 -9.775 5.590 1.00 0.25 H new ATOM 0 HE1 MET A 21 1.030 -11.301 8.044 1.00 0.54 H new ATOM 0 HE2 MET A 21 0.725 -10.553 6.458 1.00 0.54 H new ATOM 0 HE3 MET A 21 0.986 -9.529 7.890 1.00 0.54 H new ATOM 333 N TRP A 22 -0.781 -5.924 4.412 1.00 0.06 N ATOM 334 CA TRP A 22 -1.045 -5.321 3.115 1.00 0.06 C ATOM 335 C TRP A 22 0.171 -5.471 2.207 1.00 0.06 C ATOM 336 O TRP A 22 0.044 -5.684 1.001 1.00 0.08 O ATOM 337 CB TRP A 22 -1.380 -3.846 3.335 1.00 0.07 C ATOM 338 CG TRP A 22 -1.760 -3.098 2.100 1.00 0.08 C ATOM 339 CD1 TRP A 22 -2.973 -3.109 1.476 1.00 0.09 C ATOM 340 CD2 TRP A 22 -0.927 -2.209 1.350 1.00 0.08 C ATOM 341 NE1 TRP A 22 -2.945 -2.285 0.379 1.00 0.10 N ATOM 342 CE2 TRP A 22 -1.699 -1.721 0.280 1.00 0.10 C ATOM 343 CE3 TRP A 22 0.399 -1.779 1.480 1.00 0.09 C ATOM 344 CZ2 TRP A 22 -1.193 -0.827 -0.658 1.00 0.11 C ATOM 345 CZ3 TRP A 22 0.901 -0.890 0.544 1.00 0.10 C ATOM 346 CH2 TRP A 22 0.107 -0.423 -0.512 1.00 0.11 C ATOM 0 H TRP A 22 -0.965 -5.304 5.200 1.00 0.06 H new ATOM 0 HA TRP A 22 -1.883 -5.820 2.629 1.00 0.06 H new ATOM 0 HB2 TRP A 22 -2.199 -3.777 4.051 1.00 0.07 H new ATOM 0 HB3 TRP A 22 -0.518 -3.356 3.789 1.00 0.07 H new ATOM 0 HD1 TRP A 22 -3.830 -3.682 1.798 1.00 0.09 H new ATOM 0 HE1 TRP A 22 -3.724 -2.119 -0.259 1.00 0.10 H new ATOM 0 HE3 TRP A 22 1.017 -2.133 2.292 1.00 0.09 H new ATOM 0 HZ2 TRP A 22 -1.803 -0.465 -1.472 1.00 0.11 H new ATOM 0 HZ3 TRP A 22 1.923 -0.551 0.630 1.00 0.10 H new ATOM 0 HH2 TRP A 22 0.529 0.270 -1.225 1.00 0.11 H new ATOM 357 N LEU A 23 1.346 -5.354 2.809 1.00 0.06 N ATOM 358 CA LEU A 23 2.604 -5.493 2.099 1.00 0.08 C ATOM 359 C LEU A 23 2.883 -6.954 1.761 1.00 0.10 C ATOM 360 O LEU A 23 3.573 -7.253 0.789 1.00 0.13 O ATOM 361 CB LEU A 23 3.732 -4.939 2.961 1.00 0.09 C ATOM 362 CG LEU A 23 3.727 -3.424 3.130 1.00 0.09 C ATOM 363 CD1 LEU A 23 4.678 -3.010 4.239 1.00 0.10 C ATOM 364 CD2 LEU A 23 4.096 -2.746 1.823 1.00 0.10 C ATOM 0 H LEU A 23 1.451 -5.160 3.805 1.00 0.06 H new ATOM 0 HA LEU A 23 2.541 -4.934 1.165 1.00 0.08 H new ATOM 0 HB2 LEU A 23 3.676 -5.400 3.947 1.00 0.09 H new ATOM 0 HB3 LEU A 23 4.684 -5.238 2.523 1.00 0.09 H new ATOM 0 HG LEU A 23 2.722 -3.108 3.408 1.00 0.09 H new ATOM 0 HD11 LEU A 23 4.662 -1.925 4.346 1.00 0.10 H new ATOM 0 HD12 LEU A 23 4.367 -3.472 5.176 1.00 0.10 H new ATOM 0 HD13 LEU A 23 5.689 -3.335 3.992 1.00 0.10 H new ATOM 0 HD21 LEU A 23 4.088 -1.665 1.959 1.00 0.10 H new ATOM 0 HD22 LEU A 23 5.092 -3.066 1.516 1.00 0.10 H new ATOM 0 HD23 LEU A 23 3.373 -3.020 1.054 1.00 0.10 H new ATOM 376 N LYS A 24 2.356 -7.860 2.583 1.00 0.10 N ATOM 377 CA LYS A 24 2.537 -9.285 2.372 1.00 0.13 C ATOM 378 C LYS A 24 2.025 -9.686 0.991 1.00 0.13 C ATOM 379 O LYS A 24 2.640 -10.499 0.301 1.00 0.16 O ATOM 380 CB LYS A 24 1.801 -10.069 3.460 1.00 0.17 C ATOM 381 CG LYS A 24 2.669 -11.063 4.206 1.00 0.51 C ATOM 382 CD LYS A 24 2.873 -12.334 3.407 1.00 1.24 C ATOM 383 CE LYS A 24 4.037 -12.205 2.442 1.00 2.30 C ATOM 384 NZ LYS A 24 4.094 -13.345 1.487 1.00 3.29 N ATOM 0 H LYS A 24 1.798 -7.625 3.404 1.00 0.10 H new ATOM 0 HA LYS A 24 3.600 -9.518 2.426 1.00 0.13 H new ATOM 0 HB2 LYS A 24 1.378 -9.365 4.176 1.00 0.17 H new ATOM 0 HB3 LYS A 24 0.966 -10.602 3.006 1.00 0.17 H new ATOM 0 HG2 LYS A 24 3.636 -10.610 4.424 1.00 0.51 H new ATOM 0 HG3 LYS A 24 2.207 -11.304 5.163 1.00 0.51 H new ATOM 0 HD2 LYS A 24 3.053 -13.167 4.087 1.00 1.24 H new ATOM 0 HD3 LYS A 24 1.964 -12.566 2.853 1.00 1.24 H new ATOM 0 HE2 LYS A 24 3.947 -11.271 1.888 1.00 2.30 H new ATOM 0 HE3 LYS A 24 4.970 -12.154 3.003 1.00 2.30 H new ATOM 0 HZ1 LYS A 24 4.902 -13.220 0.845 1.00 3.29 H new ATOM 0 HZ2 LYS A 24 4.205 -14.234 2.014 1.00 3.29 H new ATOM 0 HZ3 LYS A 24 3.214 -13.378 0.933 1.00 3.29 H new ATOM 398 N SER A 25 0.895 -9.106 0.594 1.00 0.13 N ATOM 399 CA SER A 25 0.309 -9.392 -0.709 1.00 0.15 C ATOM 400 C SER A 25 1.110 -8.701 -1.808 1.00 0.14 C ATOM 401 O SER A 25 0.893 -8.937 -2.997 1.00 0.20 O ATOM 402 CB SER A 25 -1.154 -8.937 -0.753 1.00 0.20 C ATOM 403 OG SER A 25 -1.930 -9.622 0.214 1.00 0.96 O ATOM 0 H SER A 25 0.369 -8.437 1.156 1.00 0.13 H new ATOM 0 HA SER A 25 0.340 -10.469 -0.874 1.00 0.15 H new ATOM 0 HB2 SER A 25 -1.210 -7.863 -0.574 1.00 0.20 H new ATOM 0 HB3 SER A 25 -1.564 -9.117 -1.747 1.00 0.20 H new ATOM 0 HG SER A 25 -2.664 -9.046 0.512 1.00 0.96 H new ATOM 409 N LEU A 26 2.036 -7.844 -1.391 1.00 0.12 N ATOM 410 CA LEU A 26 2.889 -7.110 -2.319 1.00 0.13 C ATOM 411 C LEU A 26 4.336 -7.570 -2.196 1.00 0.16 C ATOM 412 O LEU A 26 5.222 -7.056 -2.878 1.00 0.28 O ATOM 413 CB LEU A 26 2.799 -5.611 -2.040 1.00 0.14 C ATOM 414 CG LEU A 26 1.384 -5.040 -2.033 1.00 0.27 C ATOM 415 CD1 LEU A 26 1.396 -3.598 -1.553 1.00 0.38 C ATOM 416 CD2 LEU A 26 0.765 -5.139 -3.418 1.00 0.66 C ATOM 0 H LEU A 26 2.216 -7.640 -0.408 1.00 0.12 H new ATOM 0 HA LEU A 26 2.544 -7.309 -3.334 1.00 0.13 H new ATOM 0 HB2 LEU A 26 3.261 -5.408 -1.074 1.00 0.14 H new ATOM 0 HB3 LEU A 26 3.385 -5.081 -2.791 1.00 0.14 H new ATOM 0 HG LEU A 26 0.777 -5.626 -1.343 1.00 0.27 H new ATOM 0 HD11 LEU A 26 0.379 -3.206 -1.554 1.00 0.38 H new ATOM 0 HD12 LEU A 26 1.801 -3.554 -0.542 1.00 0.38 H new ATOM 0 HD13 LEU A 26 2.017 -2.998 -2.218 1.00 0.38 H new ATOM 0 HD21 LEU A 26 -0.244 -4.728 -3.396 1.00 0.66 H new ATOM 0 HD22 LEU A 26 1.371 -4.576 -4.128 1.00 0.66 H new ATOM 0 HD23 LEU A 26 0.724 -6.184 -3.724 1.00 0.66 H new ATOM 428 N ARG A 27 4.562 -8.534 -1.306 1.00 0.15 N ATOM 429 CA ARG A 27 5.894 -9.085 -1.069 1.00 0.21 C ATOM 430 C ARG A 27 6.832 -8.054 -0.449 1.00 0.21 C ATOM 431 O ARG A 27 8.039 -8.281 -0.360 1.00 0.35 O ATOM 432 CB ARG A 27 6.499 -9.624 -2.368 1.00 0.31 C ATOM 433 CG ARG A 27 6.011 -11.014 -2.740 1.00 1.11 C ATOM 434 CD ARG A 27 6.391 -12.033 -1.679 1.00 2.02 C ATOM 435 NE ARG A 27 6.293 -13.402 -2.176 1.00 2.71 N ATOM 436 CZ ARG A 27 6.733 -14.464 -1.506 1.00 3.55 C ATOM 437 NH1 ARG A 27 7.302 -14.312 -0.316 1.00 3.89 N ATOM 438 NH2 ARG A 27 6.605 -15.676 -2.026 1.00 4.34 N ATOM 0 H ARG A 27 3.831 -8.953 -0.732 1.00 0.15 H new ATOM 0 HA ARG A 27 5.779 -9.906 -0.361 1.00 0.21 H new ATOM 0 HB2 ARG A 27 6.263 -8.937 -3.180 1.00 0.31 H new ATOM 0 HB3 ARG A 27 7.585 -9.644 -2.272 1.00 0.31 H new ATOM 0 HG2 ARG A 27 4.928 -11.001 -2.864 1.00 1.11 H new ATOM 0 HG3 ARG A 27 6.438 -11.307 -3.699 1.00 1.11 H new ATOM 0 HD2 ARG A 27 7.410 -11.842 -1.341 1.00 2.02 H new ATOM 0 HD3 ARG A 27 5.740 -11.914 -0.813 1.00 2.02 H new ATOM 0 HE ARG A 27 5.863 -13.553 -3.088 1.00 2.71 H new ATOM 0 HH11 ARG A 27 7.402 -13.380 0.086 1.00 3.89 H new ATOM 0 HH12 ARG A 27 7.639 -15.127 0.196 1.00 3.89 H new ATOM 0 HH21 ARG A 27 6.169 -15.795 -2.940 1.00 4.34 H new ATOM 0 HH22 ARG A 27 6.943 -16.490 -1.512 1.00 4.34 H new ATOM 452 N LEU A 28 6.278 -6.925 -0.018 1.00 0.14 N ATOM 453 CA LEU A 28 7.082 -5.876 0.599 1.00 0.14 C ATOM 454 C LEU A 28 6.899 -5.865 2.107 1.00 0.13 C ATOM 455 O LEU A 28 7.093 -4.832 2.748 1.00 0.13 O ATOM 456 CB LEU A 28 6.724 -4.502 0.026 1.00 0.16 C ATOM 457 CG LEU A 28 7.098 -4.287 -1.439 1.00 0.21 C ATOM 458 CD1 LEU A 28 5.862 -3.952 -2.255 1.00 0.67 C ATOM 459 CD2 LEU A 28 8.130 -3.180 -1.562 1.00 0.67 C ATOM 0 H LEU A 28 5.282 -6.714 -0.084 1.00 0.14 H new ATOM 0 HA LEU A 28 8.127 -6.090 0.373 1.00 0.14 H new ATOM 0 HB2 LEU A 28 5.650 -4.350 0.136 1.00 0.16 H new ATOM 0 HB3 LEU A 28 7.217 -3.737 0.626 1.00 0.16 H new ATOM 0 HG LEU A 28 7.530 -5.209 -1.828 1.00 0.21 H new ATOM 0 HD11 LEU A 28 6.144 -3.801 -3.297 1.00 0.67 H new ATOM 0 HD12 LEU A 28 5.148 -4.773 -2.187 1.00 0.67 H new ATOM 0 HD13 LEU A 28 5.406 -3.041 -1.867 1.00 0.67 H new ATOM 0 HD21 LEU A 28 8.387 -3.037 -2.612 1.00 0.67 H new ATOM 0 HD22 LEU A 28 7.720 -2.254 -1.160 1.00 0.67 H new ATOM 0 HD23 LEU A 28 9.025 -3.453 -1.003 1.00 0.67 H new ATOM 471 N HIS A 29 6.507 -7.004 2.680 1.00 0.13 N ATOM 472 CA HIS A 29 6.366 -7.090 4.127 1.00 0.13 C ATOM 473 C HIS A 29 7.724 -6.800 4.737 1.00 0.12 C ATOM 474 O HIS A 29 7.872 -6.599 5.940 1.00 0.13 O ATOM 475 CB HIS A 29 5.875 -8.466 4.564 1.00 0.14 C ATOM 476 CG HIS A 29 6.669 -9.596 3.985 1.00 0.16 C ATOM 477 ND1 HIS A 29 6.477 -10.070 2.705 1.00 0.22 N ATOM 478 CD2 HIS A 29 7.668 -10.342 4.515 1.00 0.29 C ATOM 479 CE1 HIS A 29 7.320 -11.060 2.472 1.00 0.20 C ATOM 480 NE2 HIS A 29 8.054 -11.243 3.554 1.00 0.24 N ATOM 0 H HIS A 29 6.286 -7.861 2.173 1.00 0.13 H new ATOM 0 HA HIS A 29 5.623 -6.367 4.465 1.00 0.13 H new ATOM 0 HB2 HIS A 29 5.911 -8.527 5.652 1.00 0.14 H new ATOM 0 HB3 HIS A 29 4.831 -8.580 4.273 1.00 0.14 H new ATOM 0 HD2 HIS A 29 8.083 -10.246 5.507 1.00 0.29 H new ATOM 0 HE1 HIS A 29 7.396 -11.623 1.554 1.00 0.20 H new ATOM 0 HE2 HIS A 29 8.790 -11.942 3.659 1.00 0.24 H new ATOM 489 N LYS A 30 8.714 -6.815 3.857 1.00 0.12 N ATOM 490 CA LYS A 30 10.088 -6.518 4.203 1.00 0.12 C ATOM 491 C LYS A 30 10.150 -5.141 4.845 1.00 0.11 C ATOM 492 O LYS A 30 10.938 -4.887 5.756 1.00 0.17 O ATOM 493 CB LYS A 30 10.947 -6.550 2.931 1.00 0.15 C ATOM 494 CG LYS A 30 10.183 -6.246 1.659 1.00 0.28 C ATOM 495 CD LYS A 30 11.118 -5.922 0.511 1.00 0.59 C ATOM 496 CE LYS A 30 10.411 -6.042 -0.824 1.00 0.65 C ATOM 497 NZ LYS A 30 11.343 -6.424 -1.919 1.00 0.72 N ATOM 0 H LYS A 30 8.579 -7.037 2.871 1.00 0.12 H new ATOM 0 HA LYS A 30 10.468 -7.259 4.906 1.00 0.12 H new ATOM 0 HB2 LYS A 30 11.758 -5.829 3.035 1.00 0.15 H new ATOM 0 HB3 LYS A 30 11.405 -7.535 2.840 1.00 0.15 H new ATOM 0 HG2 LYS A 30 9.562 -7.102 1.393 1.00 0.28 H new ATOM 0 HG3 LYS A 30 9.511 -5.405 1.830 1.00 0.28 H new ATOM 0 HD2 LYS A 30 11.507 -4.911 0.630 1.00 0.59 H new ATOM 0 HD3 LYS A 30 11.974 -6.597 0.534 1.00 0.59 H new ATOM 0 HE2 LYS A 30 9.618 -6.786 -0.748 1.00 0.65 H new ATOM 0 HE3 LYS A 30 9.935 -5.092 -1.068 1.00 0.65 H new ATOM 0 HZ1 LYS A 30 10.817 -6.495 -2.814 1.00 0.72 H new ATOM 0 HZ2 LYS A 30 12.086 -5.702 -2.010 1.00 0.72 H new ATOM 0 HZ3 LYS A 30 11.778 -7.343 -1.700 1.00 0.72 H new ATOM 511 N TYR A 31 9.294 -4.265 4.341 1.00 0.10 N ATOM 512 CA TYR A 31 9.185 -2.901 4.827 1.00 0.10 C ATOM 513 C TYR A 31 7.904 -2.719 5.628 1.00 0.11 C ATOM 514 O TYR A 31 7.354 -1.624 5.704 1.00 0.16 O ATOM 515 CB TYR A 31 9.230 -1.941 3.645 1.00 0.12 C ATOM 516 CG TYR A 31 10.506 -2.061 2.847 1.00 0.15 C ATOM 517 CD1 TYR A 31 11.748 -1.963 3.463 1.00 0.21 C ATOM 518 CD2 TYR A 31 10.466 -2.297 1.485 1.00 0.16 C ATOM 519 CE1 TYR A 31 12.916 -2.090 2.737 1.00 0.25 C ATOM 520 CE2 TYR A 31 11.630 -2.429 0.750 1.00 0.20 C ATOM 521 CZ TYR A 31 12.852 -2.324 1.380 1.00 0.23 C ATOM 522 OH TYR A 31 14.012 -2.455 0.651 1.00 0.28 O ATOM 0 H TYR A 31 8.652 -4.483 3.579 1.00 0.10 H new ATOM 0 HA TYR A 31 10.022 -2.686 5.491 1.00 0.10 H new ATOM 0 HB2 TYR A 31 8.378 -2.134 2.993 1.00 0.12 H new ATOM 0 HB3 TYR A 31 9.128 -0.918 4.008 1.00 0.12 H new ATOM 0 HD1 TYR A 31 11.801 -1.785 4.527 1.00 0.21 H new ATOM 0 HD2 TYR A 31 9.511 -2.380 0.988 1.00 0.16 H new ATOM 0 HE1 TYR A 31 13.874 -2.006 3.229 1.00 0.25 H new ATOM 0 HE2 TYR A 31 11.582 -2.614 -0.313 1.00 0.20 H new ATOM 0 HH TYR A 31 13.791 -2.618 -0.290 1.00 0.28 H new ATOM 532 N SER A 32 7.434 -3.809 6.227 1.00 0.10 N ATOM 533 CA SER A 32 6.225 -3.774 7.035 1.00 0.12 C ATOM 534 C SER A 32 6.415 -2.855 8.225 1.00 0.13 C ATOM 535 O SER A 32 5.548 -2.052 8.538 1.00 0.16 O ATOM 536 CB SER A 32 5.853 -5.178 7.508 1.00 0.13 C ATOM 537 OG SER A 32 5.112 -5.872 6.521 1.00 1.30 O ATOM 0 H SER A 32 7.874 -4.727 6.166 1.00 0.10 H new ATOM 0 HA SER A 32 5.412 -3.390 6.420 1.00 0.12 H new ATOM 0 HB2 SER A 32 6.759 -5.736 7.746 1.00 0.13 H new ATOM 0 HB3 SER A 32 5.269 -5.112 8.426 1.00 0.13 H new ATOM 0 HG SER A 32 4.889 -6.768 6.849 1.00 1.30 H new ATOM 543 N ASP A 33 7.558 -2.980 8.879 1.00 0.12 N ATOM 544 CA ASP A 33 7.869 -2.150 10.040 1.00 0.14 C ATOM 545 C ASP A 33 7.937 -0.670 9.661 1.00 0.14 C ATOM 546 O ASP A 33 7.301 0.174 10.293 1.00 0.20 O ATOM 547 CB ASP A 33 9.200 -2.584 10.655 1.00 0.17 C ATOM 548 CG ASP A 33 9.470 -1.907 11.984 1.00 1.10 C ATOM 549 OD1 ASP A 33 10.084 -0.819 11.981 1.00 2.21 O ATOM 550 OD2 ASP A 33 9.067 -2.463 13.026 1.00 1.00 O ATOM 0 H ASP A 33 8.288 -3.647 8.629 1.00 0.12 H new ATOM 0 HA ASP A 33 7.070 -2.282 10.769 1.00 0.14 H new ATOM 0 HB2 ASP A 33 9.197 -3.665 10.795 1.00 0.17 H new ATOM 0 HB3 ASP A 33 10.009 -2.354 9.962 1.00 0.17 H new ATOM 555 N ALA A 34 8.715 -0.368 8.625 1.00 0.12 N ATOM 556 CA ALA A 34 8.891 1.005 8.153 1.00 0.13 C ATOM 557 C ALA A 34 7.604 1.604 7.610 1.00 0.12 C ATOM 558 O ALA A 34 7.417 2.821 7.641 1.00 0.15 O ATOM 559 CB ALA A 34 9.971 1.051 7.086 1.00 0.15 C ATOM 0 H ALA A 34 9.239 -1.062 8.091 1.00 0.12 H new ATOM 0 HA ALA A 34 9.190 1.605 9.013 1.00 0.13 H new ATOM 0 HB1 ALA A 34 10.096 2.077 6.739 1.00 0.15 H new ATOM 0 HB2 ALA A 34 10.911 0.692 7.504 1.00 0.15 H new ATOM 0 HB3 ALA A 34 9.681 0.417 6.248 1.00 0.15 H new ATOM 565 N LEU A 35 6.717 0.756 7.113 1.00 0.10 N ATOM 566 CA LEU A 35 5.474 1.227 6.530 1.00 0.09 C ATOM 567 C LEU A 35 4.278 1.022 7.461 1.00 0.09 C ATOM 568 O LEU A 35 3.205 1.575 7.226 1.00 0.12 O ATOM 569 CB LEU A 35 5.237 0.510 5.202 1.00 0.09 C ATOM 570 CG LEU A 35 6.183 0.901 4.053 1.00 0.19 C ATOM 571 CD1 LEU A 35 7.623 1.075 4.527 1.00 0.47 C ATOM 572 CD2 LEU A 35 6.148 -0.163 2.977 1.00 0.14 C ATOM 0 H LEU A 35 6.835 -0.257 7.102 1.00 0.10 H new ATOM 0 HA LEU A 35 5.567 2.301 6.367 1.00 0.09 H new ATOM 0 HB2 LEU A 35 5.324 -0.564 5.370 1.00 0.09 H new ATOM 0 HB3 LEU A 35 4.212 0.702 4.885 1.00 0.09 H new ATOM 0 HG LEU A 35 5.836 1.857 3.660 1.00 0.19 H new ATOM 0 HD11 LEU A 35 8.254 1.351 3.682 1.00 0.47 H new ATOM 0 HD12 LEU A 35 7.665 1.860 5.282 1.00 0.47 H new ATOM 0 HD13 LEU A 35 7.980 0.139 4.956 1.00 0.47 H new ATOM 0 HD21 LEU A 35 6.819 0.118 2.165 1.00 0.14 H new ATOM 0 HD22 LEU A 35 6.467 -1.117 3.398 1.00 0.14 H new ATOM 0 HD23 LEU A 35 5.133 -0.258 2.592 1.00 0.14 H new ATOM 584 N SER A 36 4.462 0.236 8.519 1.00 0.10 N ATOM 585 CA SER A 36 3.378 -0.032 9.462 1.00 0.10 C ATOM 586 C SER A 36 2.935 1.249 10.153 1.00 0.10 C ATOM 587 O SER A 36 1.739 1.518 10.274 1.00 0.11 O ATOM 588 CB SER A 36 3.804 -1.058 10.514 1.00 0.13 C ATOM 589 OG SER A 36 2.794 -1.235 11.492 1.00 0.95 O ATOM 0 H SER A 36 5.344 -0.224 8.744 1.00 0.10 H new ATOM 0 HA SER A 36 2.542 -0.439 8.893 1.00 0.10 H new ATOM 0 HB2 SER A 36 4.018 -2.011 10.031 1.00 0.13 H new ATOM 0 HB3 SER A 36 4.726 -0.730 10.994 1.00 0.13 H new ATOM 0 HG SER A 36 3.090 -1.896 12.152 1.00 0.95 H new ATOM 595 N GLY A 37 3.907 2.035 10.611 1.00 0.12 N ATOM 596 CA GLY A 37 3.599 3.284 11.282 1.00 0.13 C ATOM 597 C GLY A 37 2.735 4.188 10.429 1.00 0.12 C ATOM 598 O GLY A 37 2.173 5.169 10.917 1.00 0.15 O ATOM 0 H GLY A 37 4.902 1.828 10.529 1.00 0.12 H new ATOM 0 HA2 GLY A 37 3.087 3.074 12.221 1.00 0.13 H new ATOM 0 HA3 GLY A 37 4.526 3.799 11.532 1.00 0.13 H new ATOM 602 N THR A 38 2.629 3.852 9.147 1.00 0.08 N ATOM 603 CA THR A 38 1.828 4.625 8.215 1.00 0.08 C ATOM 604 C THR A 38 0.648 3.796 7.698 1.00 0.07 C ATOM 605 O THR A 38 0.843 2.704 7.174 1.00 0.08 O ATOM 606 CB THR A 38 2.673 5.102 7.018 1.00 0.09 C ATOM 607 OG1 THR A 38 3.832 5.801 7.485 1.00 0.11 O ATOM 608 CG2 THR A 38 1.858 6.016 6.118 1.00 0.11 C ATOM 0 H THR A 38 3.092 3.044 8.732 1.00 0.08 H new ATOM 0 HA THR A 38 1.452 5.495 8.753 1.00 0.08 H new ATOM 0 HB THR A 38 2.982 4.227 6.445 1.00 0.09 H new ATOM 0 HG1 THR A 38 4.365 6.100 6.719 1.00 0.11 H new ATOM 0 HG21 THR A 38 2.472 6.342 5.279 1.00 0.11 H new ATOM 0 HG22 THR A 38 0.988 5.476 5.743 1.00 0.11 H new ATOM 0 HG23 THR A 38 1.528 6.886 6.686 1.00 0.11 H new ATOM 616 N PRO A 39 -0.595 4.302 7.845 1.00 0.07 N ATOM 617 CA PRO A 39 -1.809 3.605 7.384 1.00 0.08 C ATOM 618 C PRO A 39 -1.855 3.489 5.872 1.00 0.07 C ATOM 619 O PRO A 39 -0.937 3.935 5.193 1.00 0.07 O ATOM 620 CB PRO A 39 -2.939 4.517 7.858 1.00 0.09 C ATOM 621 CG PRO A 39 -2.300 5.853 7.917 1.00 0.09 C ATOM 622 CD PRO A 39 -0.931 5.593 8.464 1.00 0.09 C ATOM 0 HA PRO A 39 -1.864 2.586 7.767 1.00 0.08 H new ATOM 0 HB2 PRO A 39 -3.782 4.505 7.167 1.00 0.09 H new ATOM 0 HB3 PRO A 39 -3.321 4.211 8.832 1.00 0.09 H new ATOM 0 HG2 PRO A 39 -2.252 6.313 6.930 1.00 0.09 H new ATOM 0 HG3 PRO A 39 -2.861 6.533 8.559 1.00 0.09 H new ATOM 0 HD2 PRO A 39 -0.225 6.375 8.185 1.00 0.09 H new ATOM 0 HD3 PRO A 39 -0.930 5.536 9.553 1.00 0.09 H new ATOM 630 N TRP A 40 -2.919 2.891 5.344 1.00 0.07 N ATOM 631 CA TRP A 40 -3.054 2.761 3.902 1.00 0.07 C ATOM 632 C TRP A 40 -3.363 4.112 3.286 1.00 0.07 C ATOM 633 O TRP A 40 -2.685 4.535 2.361 1.00 0.07 O ATOM 634 CB TRP A 40 -4.130 1.739 3.513 1.00 0.08 C ATOM 635 CG TRP A 40 -5.523 2.089 3.955 1.00 0.09 C ATOM 636 CD1 TRP A 40 -6.064 1.901 5.197 1.00 0.13 C ATOM 637 CD2 TRP A 40 -6.561 2.673 3.152 1.00 0.11 C ATOM 638 NE1 TRP A 40 -7.374 2.319 5.209 1.00 0.16 N ATOM 639 CE2 TRP A 40 -7.698 2.804 3.973 1.00 0.15 C ATOM 640 CE3 TRP A 40 -6.643 3.098 1.819 1.00 0.14 C ATOM 641 CZ2 TRP A 40 -8.895 3.342 3.511 1.00 0.20 C ATOM 642 CZ3 TRP A 40 -7.837 3.634 1.364 1.00 0.19 C ATOM 643 CH2 TRP A 40 -8.945 3.752 2.209 1.00 0.21 C ATOM 0 H TRP A 40 -3.688 2.495 5.885 1.00 0.07 H new ATOM 0 HA TRP A 40 -2.104 2.394 3.514 1.00 0.07 H new ATOM 0 HB2 TRP A 40 -4.126 1.624 2.429 1.00 0.08 H new ATOM 0 HB3 TRP A 40 -3.862 0.771 3.937 1.00 0.08 H new ATOM 0 HD1 TRP A 40 -5.539 1.485 6.044 1.00 0.13 H new ATOM 0 HE1 TRP A 40 -8.003 2.274 6.011 1.00 0.16 H new ATOM 0 HE3 TRP A 40 -5.792 3.009 1.159 1.00 0.14 H new ATOM 0 HZ2 TRP A 40 -9.754 3.432 4.159 1.00 0.20 H new ATOM 0 HZ3 TRP A 40 -7.913 3.966 0.339 1.00 0.19 H new ATOM 0 HH2 TRP A 40 -9.860 4.177 1.824 1.00 0.21 H new ATOM 654 N ILE A 41 -4.360 4.804 3.836 1.00 0.08 N ATOM 655 CA ILE A 41 -4.756 6.111 3.324 1.00 0.09 C ATOM 656 C ILE A 41 -3.555 7.038 3.190 1.00 0.07 C ATOM 657 O ILE A 41 -3.577 7.989 2.408 1.00 0.08 O ATOM 658 CB ILE A 41 -5.815 6.781 4.223 1.00 0.11 C ATOM 659 CG1 ILE A 41 -6.618 7.802 3.414 1.00 0.14 C ATOM 660 CG2 ILE A 41 -5.161 7.447 5.429 1.00 0.12 C ATOM 661 CD1 ILE A 41 -7.637 7.171 2.489 1.00 0.45 C ATOM 0 H ILE A 41 -4.906 4.480 4.634 1.00 0.08 H new ATOM 0 HA ILE A 41 -5.191 5.940 2.339 1.00 0.09 H new ATOM 0 HB ILE A 41 -6.494 6.012 4.592 1.00 0.11 H new ATOM 0 HG12 ILE A 41 -7.130 8.476 4.100 1.00 0.14 H new ATOM 0 HG13 ILE A 41 -5.931 8.409 2.825 1.00 0.14 H new ATOM 0 HG21 ILE A 41 -5.928 7.913 6.048 1.00 0.12 H new ATOM 0 HG22 ILE A 41 -4.628 6.697 6.014 1.00 0.12 H new ATOM 0 HG23 ILE A 41 -4.459 8.208 5.088 1.00 0.12 H new ATOM 0 HD11 ILE A 41 -8.170 7.953 1.947 1.00 0.45 H new ATOM 0 HD12 ILE A 41 -7.129 6.519 1.779 1.00 0.45 H new ATOM 0 HD13 ILE A 41 -8.347 6.587 3.074 1.00 0.45 H new ATOM 673 N GLU A 42 -2.506 6.759 3.959 1.00 0.07 N ATOM 674 CA GLU A 42 -1.298 7.567 3.911 1.00 0.06 C ATOM 675 C GLU A 42 -0.249 6.871 3.057 1.00 0.06 C ATOM 676 O GLU A 42 0.507 7.515 2.331 1.00 0.07 O ATOM 677 CB GLU A 42 -0.761 7.829 5.318 1.00 0.07 C ATOM 678 CG GLU A 42 -1.602 8.818 6.113 1.00 0.09 C ATOM 679 CD GLU A 42 -0.943 9.233 7.414 1.00 1.13 C ATOM 680 OE1 GLU A 42 -0.026 10.079 7.373 1.00 1.02 O ATOM 681 OE2 GLU A 42 -1.344 8.711 8.475 1.00 2.15 O ATOM 0 H GLU A 42 -2.471 5.982 4.619 1.00 0.07 H new ATOM 0 HA GLU A 42 -1.539 8.531 3.462 1.00 0.06 H new ATOM 0 HB2 GLU A 42 -0.713 6.886 5.862 1.00 0.07 H new ATOM 0 HB3 GLU A 42 0.259 8.207 5.245 1.00 0.07 H new ATOM 0 HG2 GLU A 42 -1.786 9.704 5.505 1.00 0.09 H new ATOM 0 HG3 GLU A 42 -2.573 8.372 6.328 1.00 0.09 H new ATOM 688 N LEU A 43 -0.221 5.545 3.152 1.00 0.06 N ATOM 689 CA LEU A 43 0.703 4.734 2.371 1.00 0.07 C ATOM 690 C LEU A 43 0.480 5.008 0.899 1.00 0.08 C ATOM 691 O LEU A 43 1.369 5.461 0.184 1.00 0.10 O ATOM 692 CB LEU A 43 0.455 3.252 2.642 1.00 0.08 C ATOM 693 CG LEU A 43 1.659 2.454 3.149 1.00 0.09 C ATOM 694 CD1 LEU A 43 2.811 2.534 2.164 1.00 0.11 C ATOM 695 CD2 LEU A 43 2.090 2.958 4.510 1.00 0.09 C ATOM 0 H LEU A 43 -0.833 5.008 3.767 1.00 0.06 H new ATOM 0 HA LEU A 43 1.726 4.986 2.651 1.00 0.07 H new ATOM 0 HB2 LEU A 43 -0.348 3.166 3.374 1.00 0.08 H new ATOM 0 HB3 LEU A 43 0.098 2.789 1.722 1.00 0.08 H new ATOM 0 HG LEU A 43 1.363 1.409 3.243 1.00 0.09 H new ATOM 0 HD11 LEU A 43 3.656 1.960 2.545 1.00 0.11 H new ATOM 0 HD12 LEU A 43 2.498 2.125 1.204 1.00 0.11 H new ATOM 0 HD13 LEU A 43 3.108 3.575 2.035 1.00 0.11 H new ATOM 0 HD21 LEU A 43 2.947 2.381 4.857 1.00 0.09 H new ATOM 0 HD22 LEU A 43 2.366 4.010 4.438 1.00 0.09 H new ATOM 0 HD23 LEU A 43 1.267 2.847 5.216 1.00 0.09 H new ATOM 707 N ILE A 44 -0.740 4.720 0.469 1.00 0.09 N ATOM 708 CA ILE A 44 -1.159 4.926 -0.901 1.00 0.10 C ATOM 709 C ILE A 44 -0.980 6.380 -1.327 1.00 0.10 C ATOM 710 O ILE A 44 -1.103 6.713 -2.505 1.00 0.15 O ATOM 711 CB ILE A 44 -2.626 4.515 -1.063 1.00 0.13 C ATOM 712 CG1 ILE A 44 -3.535 5.448 -0.263 1.00 0.14 C ATOM 713 CG2 ILE A 44 -2.798 3.082 -0.592 1.00 0.15 C ATOM 714 CD1 ILE A 44 -5.001 5.261 -0.551 1.00 0.20 C ATOM 0 H ILE A 44 -1.469 4.334 1.069 1.00 0.09 H new ATOM 0 HA ILE A 44 -0.531 4.307 -1.542 1.00 0.10 H new ATOM 0 HB ILE A 44 -2.905 4.588 -2.114 1.00 0.13 H new ATOM 0 HG12 ILE A 44 -3.360 5.287 0.801 1.00 0.14 H new ATOM 0 HG13 ILE A 44 -3.261 6.481 -0.479 1.00 0.14 H new ATOM 0 HG21 ILE A 44 -3.840 2.784 -0.705 1.00 0.15 H new ATOM 0 HG22 ILE A 44 -2.166 2.424 -1.189 1.00 0.15 H new ATOM 0 HG23 ILE A 44 -2.511 3.007 0.457 1.00 0.15 H new ATOM 0 HD11 ILE A 44 -5.582 5.957 0.054 1.00 0.20 H new ATOM 0 HD12 ILE A 44 -5.191 5.451 -1.607 1.00 0.20 H new ATOM 0 HD13 ILE A 44 -5.292 4.239 -0.308 1.00 0.20 H new ATOM 726 N TYR A 45 -0.692 7.243 -0.357 1.00 0.08 N ATOM 727 CA TYR A 45 -0.496 8.662 -0.631 1.00 0.08 C ATOM 728 C TYR A 45 0.988 9.015 -0.677 1.00 0.08 C ATOM 729 O TYR A 45 1.365 10.061 -1.207 1.00 0.10 O ATOM 730 CB TYR A 45 -1.212 9.510 0.424 1.00 0.10 C ATOM 731 CG TYR A 45 -2.668 9.808 0.108 1.00 0.11 C ATOM 732 CD1 TYR A 45 -3.394 9.026 -0.788 1.00 0.10 C ATOM 733 CD2 TYR A 45 -3.317 10.875 0.718 1.00 0.15 C ATOM 734 CE1 TYR A 45 -4.721 9.304 -1.065 1.00 0.13 C ATOM 735 CE2 TYR A 45 -4.642 11.157 0.444 1.00 0.18 C ATOM 736 CZ TYR A 45 -5.338 10.370 -0.447 1.00 0.16 C ATOM 737 OH TYR A 45 -6.658 10.648 -0.720 1.00 0.19 O ATOM 0 H TYR A 45 -0.589 6.984 0.624 1.00 0.08 H new ATOM 0 HA TYR A 45 -0.924 8.879 -1.610 1.00 0.08 H new ATOM 0 HB2 TYR A 45 -1.159 8.995 1.383 1.00 0.10 H new ATOM 0 HB3 TYR A 45 -0.677 10.453 0.538 1.00 0.10 H new ATOM 0 HD1 TYR A 45 -2.914 8.190 -1.274 1.00 0.10 H new ATOM 0 HD2 TYR A 45 -2.777 11.495 1.418 1.00 0.15 H new ATOM 0 HE1 TYR A 45 -5.270 8.689 -1.762 1.00 0.13 H new ATOM 0 HE2 TYR A 45 -5.130 11.991 0.927 1.00 0.18 H new ATOM 0 HH TYR A 45 -6.942 11.430 -0.202 1.00 0.19 H new ATOM 747 N LEU A 46 1.828 8.145 -0.119 1.00 0.08 N ATOM 748 CA LEU A 46 3.269 8.372 -0.117 1.00 0.09 C ATOM 749 C LEU A 46 3.813 8.389 -1.536 1.00 0.09 C ATOM 750 O LEU A 46 3.063 8.471 -2.509 1.00 0.11 O ATOM 751 CB LEU A 46 4.005 7.276 0.658 1.00 0.10 C ATOM 752 CG LEU A 46 3.506 6.987 2.073 1.00 0.11 C ATOM 753 CD1 LEU A 46 4.429 5.985 2.747 1.00 0.14 C ATOM 754 CD2 LEU A 46 3.424 8.262 2.896 1.00 0.12 C ATOM 0 H LEU A 46 1.535 7.280 0.336 1.00 0.08 H new ATOM 0 HA LEU A 46 3.436 9.336 0.363 1.00 0.09 H new ATOM 0 HB2 LEU A 46 3.947 6.353 0.081 1.00 0.10 H new ATOM 0 HB3 LEU A 46 5.059 7.549 0.717 1.00 0.10 H new ATOM 0 HG LEU A 46 2.503 6.566 2.006 1.00 0.11 H new ATOM 0 HD11 LEU A 46 4.070 5.781 3.756 1.00 0.14 H new ATOM 0 HD12 LEU A 46 4.442 5.059 2.173 1.00 0.14 H new ATOM 0 HD13 LEU A 46 5.438 6.395 2.797 1.00 0.14 H new ATOM 0 HD21 LEU A 46 3.066 8.026 3.898 1.00 0.12 H new ATOM 0 HD22 LEU A 46 4.412 8.717 2.962 1.00 0.12 H new ATOM 0 HD23 LEU A 46 2.735 8.959 2.419 1.00 0.12 H new ATOM 766 N ASP A 47 5.132 8.297 -1.638 1.00 0.09 N ATOM 767 CA ASP A 47 5.806 8.285 -2.926 1.00 0.10 C ATOM 768 C ASP A 47 7.144 7.571 -2.808 1.00 0.10 C ATOM 769 O ASP A 47 7.559 7.193 -1.715 1.00 0.16 O ATOM 770 CB ASP A 47 6.025 9.712 -3.434 1.00 0.11 C ATOM 771 CG ASP A 47 4.725 10.450 -3.686 1.00 0.73 C ATOM 772 OD1 ASP A 47 4.137 10.264 -4.771 1.00 1.31 O ATOM 773 OD2 ASP A 47 4.295 11.215 -2.797 1.00 0.96 O ATOM 0 H ASP A 47 5.759 8.229 -0.836 1.00 0.09 H new ATOM 0 HA ASP A 47 5.175 7.753 -3.639 1.00 0.10 H new ATOM 0 HB2 ASP A 47 6.617 10.266 -2.705 1.00 0.11 H new ATOM 0 HB3 ASP A 47 6.604 9.680 -4.357 1.00 0.11 H new ATOM 778 N ASP A 48 7.805 7.384 -3.940 1.00 0.12 N ATOM 779 CA ASP A 48 9.113 6.736 -3.975 1.00 0.14 C ATOM 780 C ASP A 48 10.030 7.343 -2.916 1.00 0.14 C ATOM 781 O ASP A 48 10.602 6.635 -2.090 1.00 0.21 O ATOM 782 CB ASP A 48 9.721 6.903 -5.373 1.00 0.17 C ATOM 783 CG ASP A 48 11.171 6.475 -5.448 1.00 1.06 C ATOM 784 OD1 ASP A 48 12.052 7.325 -5.206 1.00 1.73 O ATOM 785 OD2 ASP A 48 11.426 5.295 -5.764 1.00 1.65 O ATOM 0 H ASP A 48 7.457 7.673 -4.854 1.00 0.12 H new ATOM 0 HA ASP A 48 9.000 5.674 -3.758 1.00 0.14 H new ATOM 0 HB2 ASP A 48 9.139 6.320 -6.087 1.00 0.17 H new ATOM 0 HB3 ASP A 48 9.641 7.947 -5.674 1.00 0.17 H new ATOM 790 N GLU A 49 10.138 8.664 -2.935 1.00 0.14 N ATOM 791 CA GLU A 49 10.982 9.381 -1.980 1.00 0.16 C ATOM 792 C GLU A 49 10.607 9.061 -0.531 1.00 0.13 C ATOM 793 O GLU A 49 11.471 8.701 0.269 1.00 0.19 O ATOM 794 CB GLU A 49 10.894 10.888 -2.215 1.00 0.23 C ATOM 795 CG GLU A 49 11.820 11.695 -1.316 1.00 0.37 C ATOM 796 CD GLU A 49 11.688 13.189 -1.533 1.00 0.46 C ATOM 797 OE1 GLU A 49 10.845 13.815 -0.857 1.00 0.52 O ATOM 798 OE2 GLU A 49 12.431 13.735 -2.378 1.00 0.51 O ATOM 0 H GLU A 49 9.652 9.265 -3.601 1.00 0.14 H new ATOM 0 HA GLU A 49 12.007 9.047 -2.143 1.00 0.16 H new ATOM 0 HB2 GLU A 49 11.135 11.100 -3.257 1.00 0.23 H new ATOM 0 HB3 GLU A 49 9.867 11.214 -2.052 1.00 0.23 H new ATOM 0 HG2 GLU A 49 11.602 11.462 -0.274 1.00 0.37 H new ATOM 0 HG3 GLU A 49 12.851 11.395 -1.500 1.00 0.37 H new ATOM 805 N THR A 50 9.323 9.191 -0.192 1.00 0.11 N ATOM 806 CA THR A 50 8.870 8.921 1.169 1.00 0.10 C ATOM 807 C THR A 50 9.182 7.489 1.574 1.00 0.09 C ATOM 808 O THR A 50 9.733 7.244 2.644 1.00 0.13 O ATOM 809 CB THR A 50 7.359 9.162 1.330 1.00 0.12 C ATOM 810 OG1 THR A 50 7.031 10.503 0.949 1.00 0.19 O ATOM 811 CG2 THR A 50 6.929 8.917 2.771 1.00 0.14 C ATOM 0 H THR A 50 8.586 9.479 -0.836 1.00 0.11 H new ATOM 0 HA THR A 50 9.408 9.613 1.817 1.00 0.10 H new ATOM 0 HB THR A 50 6.828 8.465 0.682 1.00 0.12 H new ATOM 0 HG1 THR A 50 6.067 10.646 1.053 1.00 0.19 H new ATOM 0 HG21 THR A 50 5.857 9.092 2.866 1.00 0.14 H new ATOM 0 HG22 THR A 50 7.154 7.887 3.048 1.00 0.14 H new ATOM 0 HG23 THR A 50 7.468 9.596 3.432 1.00 0.14 H new ATOM 819 N LEU A 51 8.823 6.549 0.708 1.00 0.09 N ATOM 820 CA LEU A 51 9.068 5.136 0.962 1.00 0.11 C ATOM 821 C LEU A 51 10.518 4.918 1.351 1.00 0.11 C ATOM 822 O LEU A 51 10.822 4.134 2.249 1.00 0.14 O ATOM 823 CB LEU A 51 8.731 4.327 -0.285 1.00 0.12 C ATOM 824 CG LEU A 51 7.240 4.089 -0.512 1.00 0.16 C ATOM 825 CD1 LEU A 51 6.992 3.576 -1.919 1.00 0.89 C ATOM 826 CD2 LEU A 51 6.700 3.109 0.520 1.00 0.74 C ATOM 0 H LEU A 51 8.359 6.742 -0.180 1.00 0.09 H new ATOM 0 HA LEU A 51 8.435 4.805 1.785 1.00 0.11 H new ATOM 0 HB2 LEU A 51 9.139 4.841 -1.155 1.00 0.12 H new ATOM 0 HB3 LEU A 51 9.233 3.362 -0.221 1.00 0.12 H new ATOM 0 HG LEU A 51 6.714 5.037 -0.397 1.00 0.16 H new ATOM 0 HD11 LEU A 51 5.924 3.412 -2.063 1.00 0.89 H new ATOM 0 HD12 LEU A 51 7.347 4.310 -2.642 1.00 0.89 H new ATOM 0 HD13 LEU A 51 7.526 2.637 -2.063 1.00 0.89 H new ATOM 0 HD21 LEU A 51 5.636 2.948 0.347 1.00 0.74 H new ATOM 0 HD22 LEU A 51 7.229 2.160 0.433 1.00 0.74 H new ATOM 0 HD23 LEU A 51 6.847 3.516 1.520 1.00 0.74 H new ATOM 838 N GLU A 52 11.410 5.622 0.669 1.00 0.10 N ATOM 839 CA GLU A 52 12.830 5.532 0.960 1.00 0.13 C ATOM 840 C GLU A 52 13.075 5.993 2.386 1.00 0.13 C ATOM 841 O GLU A 52 13.817 5.374 3.147 1.00 0.16 O ATOM 842 CB GLU A 52 13.620 6.417 0.002 1.00 0.16 C ATOM 843 CG GLU A 52 15.090 6.044 -0.100 1.00 0.33 C ATOM 844 CD GLU A 52 15.887 7.030 -0.931 1.00 0.44 C ATOM 845 OE1 GLU A 52 16.024 8.195 -0.501 1.00 0.52 O ATOM 846 OE2 GLU A 52 16.381 6.636 -2.008 1.00 0.52 O ATOM 0 H GLU A 52 11.174 6.262 -0.090 1.00 0.10 H new ATOM 0 HA GLU A 52 13.156 4.499 0.839 1.00 0.13 H new ATOM 0 HB2 GLU A 52 13.169 6.358 -0.989 1.00 0.16 H new ATOM 0 HB3 GLU A 52 13.539 7.454 0.328 1.00 0.16 H new ATOM 0 HG2 GLU A 52 15.517 5.990 0.901 1.00 0.33 H new ATOM 0 HG3 GLU A 52 15.179 5.050 -0.539 1.00 0.33 H new ATOM 853 N LYS A 53 12.427 7.097 2.726 1.00 0.13 N ATOM 854 CA LYS A 53 12.541 7.691 4.054 1.00 0.16 C ATOM 855 C LYS A 53 12.088 6.727 5.151 1.00 0.18 C ATOM 856 O LYS A 53 12.605 6.764 6.268 1.00 0.25 O ATOM 857 CB LYS A 53 11.729 8.982 4.119 1.00 0.17 C ATOM 858 CG LYS A 53 12.246 10.101 3.231 1.00 0.42 C ATOM 859 CD LYS A 53 13.701 10.426 3.497 1.00 0.60 C ATOM 860 CE LYS A 53 14.583 9.573 2.616 1.00 1.54 C ATOM 861 NZ LYS A 53 15.863 9.210 3.285 1.00 2.19 N ATOM 0 H LYS A 53 11.809 7.606 2.094 1.00 0.13 H new ATOM 0 HA LYS A 53 13.594 7.914 4.228 1.00 0.16 H new ATOM 0 HB2 LYS A 53 10.699 8.762 3.840 1.00 0.17 H new ATOM 0 HB3 LYS A 53 11.712 9.333 5.151 1.00 0.17 H new ATOM 0 HG2 LYS A 53 12.126 9.816 2.186 1.00 0.42 H new ATOM 0 HG3 LYS A 53 11.642 10.995 3.389 1.00 0.42 H new ATOM 0 HD2 LYS A 53 13.889 11.482 3.303 1.00 0.60 H new ATOM 0 HD3 LYS A 53 13.937 10.248 4.546 1.00 0.60 H new ATOM 0 HE2 LYS A 53 14.048 8.664 2.341 1.00 1.54 H new ATOM 0 HE3 LYS A 53 14.797 10.109 1.691 1.00 1.54 H new ATOM 0 HZ1 LYS A 53 16.436 8.625 2.644 1.00 2.19 H new ATOM 0 HZ2 LYS A 53 16.387 10.076 3.525 1.00 2.19 H new ATOM 0 HZ3 LYS A 53 15.661 8.675 4.154 1.00 2.19 H new ATOM 875 N LYS A 54 11.122 5.865 4.833 1.00 0.13 N ATOM 876 CA LYS A 54 10.619 4.898 5.806 1.00 0.16 C ATOM 877 C LYS A 54 11.638 3.785 5.981 1.00 0.17 C ATOM 878 O LYS A 54 12.036 3.445 7.096 1.00 0.21 O ATOM 879 CB LYS A 54 9.288 4.283 5.348 1.00 0.16 C ATOM 880 CG LYS A 54 8.496 5.141 4.363 1.00 0.25 C ATOM 881 CD LYS A 54 8.008 6.453 4.963 1.00 0.39 C ATOM 882 CE LYS A 54 7.024 6.247 6.104 1.00 0.30 C ATOM 883 NZ LYS A 54 7.703 5.900 7.385 1.00 1.20 N ATOM 0 H LYS A 54 10.676 5.817 3.917 1.00 0.13 H new ATOM 0 HA LYS A 54 10.454 5.421 6.748 1.00 0.16 H new ATOM 0 HB2 LYS A 54 9.489 3.316 4.887 1.00 0.16 H new ATOM 0 HB3 LYS A 54 8.669 4.095 6.225 1.00 0.16 H new ATOM 0 HG2 LYS A 54 9.120 5.356 3.496 1.00 0.25 H new ATOM 0 HG3 LYS A 54 7.638 4.572 4.005 1.00 0.25 H new ATOM 0 HD2 LYS A 54 8.864 7.023 5.325 1.00 0.39 H new ATOM 0 HD3 LYS A 54 7.534 7.050 4.184 1.00 0.39 H new ATOM 0 HE2 LYS A 54 6.437 7.155 6.242 1.00 0.30 H new ATOM 0 HE3 LYS A 54 6.326 5.453 5.839 1.00 0.30 H new ATOM 0 HZ1 LYS A 54 7.213 6.366 8.175 1.00 1.20 H new ATOM 0 HZ2 LYS A 54 7.679 4.869 7.523 1.00 1.20 H new ATOM 0 HZ3 LYS A 54 8.691 6.222 7.352 1.00 1.20 H new ATOM 897 N GLY A 55 12.054 3.233 4.851 1.00 0.19 N ATOM 898 CA GLY A 55 13.019 2.156 4.838 1.00 0.23 C ATOM 899 C GLY A 55 13.078 1.488 3.482 1.00 0.25 C ATOM 900 O GLY A 55 14.015 0.748 3.183 1.00 0.38 O ATOM 0 H GLY A 55 11.732 3.520 3.927 1.00 0.19 H new ATOM 0 HA2 GLY A 55 14.004 2.544 5.098 1.00 0.23 H new ATOM 0 HA3 GLY A 55 12.756 1.420 5.597 1.00 0.23 H new ATOM 904 N VAL A 56 12.062 1.753 2.663 1.00 0.17 N ATOM 905 CA VAL A 56 11.991 1.198 1.319 1.00 0.21 C ATOM 906 C VAL A 56 13.029 1.868 0.426 1.00 0.40 C ATOM 907 O VAL A 56 12.705 2.729 -0.390 1.00 0.89 O ATOM 908 CB VAL A 56 10.587 1.392 0.706 1.00 0.18 C ATOM 909 CG1 VAL A 56 10.368 0.438 -0.454 1.00 0.28 C ATOM 910 CG2 VAL A 56 9.502 1.205 1.755 1.00 0.17 C ATOM 0 H VAL A 56 11.275 2.352 2.911 1.00 0.17 H new ATOM 0 HA VAL A 56 12.194 0.129 1.386 1.00 0.21 H new ATOM 0 HB VAL A 56 10.527 2.413 0.330 1.00 0.18 H new ATOM 0 HG11 VAL A 56 9.372 0.593 -0.870 1.00 0.28 H new ATOM 0 HG12 VAL A 56 11.116 0.624 -1.225 1.00 0.28 H new ATOM 0 HG13 VAL A 56 10.458 -0.590 -0.102 1.00 0.28 H new ATOM 0 HG21 VAL A 56 8.524 1.347 1.296 1.00 0.17 H new ATOM 0 HG22 VAL A 56 9.566 0.199 2.169 1.00 0.17 H new ATOM 0 HG23 VAL A 56 9.638 1.935 2.553 1.00 0.17 H new ATOM 920 N LEU A 57 14.277 1.456 0.593 1.00 0.21 N ATOM 921 CA LEU A 57 15.393 2.019 -0.159 1.00 0.26 C ATOM 922 C LEU A 57 15.461 1.464 -1.578 1.00 0.36 C ATOM 923 O LEU A 57 15.869 2.163 -2.506 1.00 0.83 O ATOM 924 CB LEU A 57 16.699 1.728 0.584 1.00 0.34 C ATOM 925 CG LEU A 57 17.083 2.733 1.683 1.00 0.37 C ATOM 926 CD1 LEU A 57 15.851 3.382 2.298 1.00 0.24 C ATOM 927 CD2 LEU A 57 17.899 2.046 2.765 1.00 0.55 C ATOM 0 H LEU A 57 14.546 0.724 1.251 1.00 0.21 H new ATOM 0 HA LEU A 57 15.241 3.095 -0.240 1.00 0.26 H new ATOM 0 HB2 LEU A 57 16.626 0.738 1.033 1.00 0.34 H new ATOM 0 HB3 LEU A 57 17.508 1.689 -0.145 1.00 0.34 H new ATOM 0 HG LEU A 57 17.684 3.516 1.220 1.00 0.37 H new ATOM 0 HD11 LEU A 57 16.158 4.086 3.071 1.00 0.24 H new ATOM 0 HD12 LEU A 57 15.294 3.912 1.525 1.00 0.24 H new ATOM 0 HD13 LEU A 57 15.217 2.613 2.739 1.00 0.24 H new ATOM 0 HD21 LEU A 57 18.164 2.770 3.536 1.00 0.55 H new ATOM 0 HD22 LEU A 57 17.312 1.242 3.208 1.00 0.55 H new ATOM 0 HD23 LEU A 57 18.808 1.633 2.328 1.00 0.55 H new ATOM 939 N ALA A 58 15.062 0.209 -1.740 1.00 0.21 N ATOM 940 CA ALA A 58 15.083 -0.437 -3.045 1.00 0.17 C ATOM 941 C ALA A 58 14.299 0.350 -4.069 1.00 0.13 C ATOM 942 O ALA A 58 13.073 0.409 -4.007 1.00 0.12 O ATOM 943 CB ALA A 58 14.505 -1.833 -2.948 1.00 0.18 C ATOM 0 H ALA A 58 14.720 -0.382 -0.983 1.00 0.21 H new ATOM 0 HA ALA A 58 16.124 -0.485 -3.366 1.00 0.17 H new ATOM 0 HB1 ALA A 58 14.527 -2.305 -3.930 1.00 0.18 H new ATOM 0 HB2 ALA A 58 15.096 -2.424 -2.249 1.00 0.18 H new ATOM 0 HB3 ALA A 58 13.475 -1.777 -2.595 1.00 0.18 H new ATOM 949 N LEU A 59 15.010 0.957 -5.011 1.00 0.14 N ATOM 950 CA LEU A 59 14.355 1.703 -6.067 1.00 0.13 C ATOM 951 C LEU A 59 13.298 0.821 -6.694 1.00 0.12 C ATOM 952 O LEU A 59 12.275 1.296 -7.166 1.00 0.14 O ATOM 953 CB LEU A 59 15.359 2.143 -7.134 1.00 0.15 C ATOM 954 CG LEU A 59 15.884 3.569 -6.988 1.00 0.19 C ATOM 955 CD1 LEU A 59 14.740 4.568 -7.045 1.00 0.24 C ATOM 956 CD2 LEU A 59 16.664 3.719 -5.694 1.00 0.27 C ATOM 0 H LEU A 59 16.029 0.946 -5.062 1.00 0.14 H new ATOM 0 HA LEU A 59 13.902 2.599 -5.643 1.00 0.13 H new ATOM 0 HB2 LEU A 59 16.207 1.458 -7.116 1.00 0.15 H new ATOM 0 HB3 LEU A 59 14.890 2.045 -8.113 1.00 0.15 H new ATOM 0 HG LEU A 59 16.558 3.775 -7.820 1.00 0.19 H new ATOM 0 HD11 LEU A 59 15.134 5.579 -6.939 1.00 0.24 H new ATOM 0 HD12 LEU A 59 14.225 4.477 -8.002 1.00 0.24 H new ATOM 0 HD13 LEU A 59 14.039 4.365 -6.235 1.00 0.24 H new ATOM 0 HD21 LEU A 59 17.031 4.742 -5.607 1.00 0.27 H new ATOM 0 HD22 LEU A 59 16.014 3.493 -4.849 1.00 0.27 H new ATOM 0 HD23 LEU A 59 17.508 3.030 -5.696 1.00 0.27 H new ATOM 968 N GLY A 60 13.565 -0.478 -6.672 1.00 0.12 N ATOM 969 CA GLY A 60 12.641 -1.434 -7.230 1.00 0.12 C ATOM 970 C GLY A 60 11.421 -1.648 -6.356 1.00 0.11 C ATOM 971 O GLY A 60 10.317 -1.805 -6.862 1.00 0.14 O ATOM 0 H GLY A 60 14.412 -0.884 -6.274 1.00 0.12 H new ATOM 0 HA2 GLY A 60 12.322 -1.093 -8.215 1.00 0.12 H new ATOM 0 HA3 GLY A 60 13.152 -2.386 -7.373 1.00 0.12 H new ATOM 975 N ALA A 61 11.626 -1.669 -5.042 1.00 0.10 N ATOM 976 CA ALA A 61 10.535 -1.878 -4.092 1.00 0.10 C ATOM 977 C ALA A 61 9.638 -0.648 -3.930 1.00 0.11 C ATOM 978 O ALA A 61 8.417 -0.750 -4.050 1.00 0.16 O ATOM 979 CB ALA A 61 11.093 -2.300 -2.745 1.00 0.13 C ATOM 0 H ALA A 61 12.541 -1.543 -4.609 1.00 0.10 H new ATOM 0 HA ALA A 61 9.908 -2.671 -4.499 1.00 0.10 H new ATOM 0 HB1 ALA A 61 10.273 -2.453 -2.043 1.00 0.13 H new ATOM 0 HB2 ALA A 61 11.653 -3.229 -2.858 1.00 0.13 H new ATOM 0 HB3 ALA A 61 11.755 -1.521 -2.365 1.00 0.13 H new ATOM 985 N ARG A 62 10.239 0.512 -3.656 1.00 0.14 N ATOM 986 CA ARG A 62 9.467 1.732 -3.441 1.00 0.16 C ATOM 987 C ARG A 62 8.769 2.224 -4.693 1.00 0.11 C ATOM 988 O ARG A 62 7.543 2.308 -4.729 1.00 0.11 O ATOM 989 CB ARG A 62 10.340 2.845 -2.857 1.00 0.23 C ATOM 990 CG ARG A 62 11.609 3.161 -3.634 1.00 0.32 C ATOM 991 CD ARG A 62 12.301 4.383 -3.043 1.00 0.23 C ATOM 992 NE ARG A 62 13.533 4.737 -3.747 1.00 0.21 N ATOM 993 CZ ARG A 62 14.064 5.959 -3.723 1.00 0.46 C ATOM 994 NH1 ARG A 62 13.474 6.927 -3.036 1.00 0.81 N ATOM 995 NH2 ARG A 62 15.181 6.217 -4.386 1.00 0.48 N ATOM 0 H ARG A 62 11.249 0.629 -3.579 1.00 0.14 H new ATOM 0 HA ARG A 62 8.691 1.469 -2.722 1.00 0.16 H new ATOM 0 HB2 ARG A 62 9.742 3.753 -2.789 1.00 0.23 H new ATOM 0 HB3 ARG A 62 10.617 2.569 -1.840 1.00 0.23 H new ATOM 0 HG2 ARG A 62 12.283 2.305 -3.607 1.00 0.32 H new ATOM 0 HG3 ARG A 62 11.367 3.343 -4.681 1.00 0.32 H new ATOM 0 HD2 ARG A 62 11.616 5.231 -3.071 1.00 0.23 H new ATOM 0 HD3 ARG A 62 12.530 4.193 -1.994 1.00 0.23 H new ATOM 0 HE ARG A 62 14.010 4.012 -4.283 1.00 0.21 H new ATOM 0 HH11 ARG A 62 12.612 6.737 -2.525 1.00 0.81 H new ATOM 0 HH12 ARG A 62 13.882 7.862 -3.019 1.00 0.81 H new ATOM 0 HH21 ARG A 62 15.640 5.478 -4.919 1.00 0.48 H new ATOM 0 HH22 ARG A 62 15.582 7.154 -4.364 1.00 0.48 H new ATOM 1009 N ARG A 63 9.544 2.569 -5.707 1.00 0.12 N ATOM 1010 CA ARG A 63 8.974 3.058 -6.952 1.00 0.13 C ATOM 1011 C ARG A 63 7.881 2.104 -7.427 1.00 0.12 C ATOM 1012 O ARG A 63 6.995 2.483 -8.193 1.00 0.14 O ATOM 1013 CB ARG A 63 10.059 3.227 -8.019 1.00 0.16 C ATOM 1014 CG ARG A 63 10.240 2.020 -8.918 1.00 0.79 C ATOM 1015 CD ARG A 63 11.418 2.205 -9.864 1.00 0.75 C ATOM 1016 NE ARG A 63 11.672 1.008 -10.662 1.00 1.33 N ATOM 1017 CZ ARG A 63 12.639 0.916 -11.570 1.00 1.56 C ATOM 1018 NH1 ARG A 63 13.440 1.949 -11.796 1.00 1.33 N ATOM 1019 NH2 ARG A 63 12.806 -0.208 -12.253 1.00 2.47 N ATOM 0 H ARG A 63 10.563 2.520 -5.694 1.00 0.12 H new ATOM 0 HA ARG A 63 8.531 4.038 -6.777 1.00 0.13 H new ATOM 0 HB2 ARG A 63 9.815 4.092 -8.636 1.00 0.16 H new ATOM 0 HB3 ARG A 63 11.007 3.444 -7.526 1.00 0.16 H new ATOM 0 HG2 ARG A 63 10.397 1.130 -8.308 1.00 0.79 H new ATOM 0 HG3 ARG A 63 9.330 1.854 -9.495 1.00 0.79 H new ATOM 0 HD2 ARG A 63 11.222 3.048 -10.527 1.00 0.75 H new ATOM 0 HD3 ARG A 63 12.310 2.453 -9.288 1.00 0.75 H new ATOM 0 HE ARG A 63 11.073 0.196 -10.514 1.00 1.33 H new ATOM 0 HH11 ARG A 63 13.315 2.816 -11.273 1.00 1.33 H new ATOM 0 HH12 ARG A 63 14.181 1.877 -12.493 1.00 1.33 H new ATOM 0 HH21 ARG A 63 12.192 -1.004 -12.082 1.00 2.47 H new ATOM 0 HH22 ARG A 63 13.548 -0.276 -12.949 1.00 2.47 H new ATOM 1033 N LYS A 64 7.959 0.856 -6.957 1.00 0.10 N ATOM 1034 CA LYS A 64 6.968 -0.160 -7.303 1.00 0.13 C ATOM 1035 C LYS A 64 5.710 0.007 -6.464 1.00 0.11 C ATOM 1036 O LYS A 64 4.599 -0.132 -6.969 1.00 0.12 O ATOM 1037 CB LYS A 64 7.548 -1.556 -7.096 1.00 0.18 C ATOM 1038 CG LYS A 64 6.580 -2.683 -7.420 1.00 0.76 C ATOM 1039 CD LYS A 64 6.276 -2.747 -8.908 1.00 1.33 C ATOM 1040 CE LYS A 64 5.402 -3.943 -9.245 1.00 1.80 C ATOM 1041 NZ LYS A 64 6.048 -5.229 -8.861 1.00 2.52 N ATOM 0 H LYS A 64 8.699 0.527 -6.336 1.00 0.10 H new ATOM 0 HA LYS A 64 6.705 -0.035 -8.353 1.00 0.13 H new ATOM 0 HB2 LYS A 64 8.437 -1.665 -7.717 1.00 0.18 H new ATOM 0 HB3 LYS A 64 7.870 -1.654 -6.059 1.00 0.18 H new ATOM 0 HG2 LYS A 64 7.003 -3.633 -7.093 1.00 0.76 H new ATOM 0 HG3 LYS A 64 5.653 -2.539 -6.864 1.00 0.76 H new ATOM 0 HD2 LYS A 64 5.775 -1.830 -9.218 1.00 1.33 H new ATOM 0 HD3 LYS A 64 7.209 -2.807 -9.469 1.00 1.33 H new ATOM 0 HE2 LYS A 64 4.445 -3.850 -8.731 1.00 1.80 H new ATOM 0 HE3 LYS A 64 5.190 -3.948 -10.314 1.00 1.80 H new ATOM 0 HZ1 LYS A 64 5.576 -6.015 -9.352 1.00 2.52 H new ATOM 0 HZ2 LYS A 64 7.052 -5.207 -9.130 1.00 2.52 H new ATOM 0 HZ3 LYS A 64 5.968 -5.365 -7.833 1.00 2.52 H new ATOM 1055 N LEU A 65 5.894 0.288 -5.178 1.00 0.11 N ATOM 1056 CA LEU A 65 4.770 0.483 -4.274 1.00 0.11 C ATOM 1057 C LEU A 65 3.845 1.569 -4.800 1.00 0.08 C ATOM 1058 O LEU A 65 2.655 1.592 -4.489 1.00 0.09 O ATOM 1059 CB LEU A 65 5.260 0.850 -2.880 1.00 0.13 C ATOM 1060 CG LEU A 65 5.374 -0.325 -1.918 1.00 0.18 C ATOM 1061 CD1 LEU A 65 6.627 -0.189 -1.079 1.00 0.22 C ATOM 1062 CD2 LEU A 65 4.138 -0.416 -1.037 1.00 0.23 C ATOM 0 H LEU A 65 6.810 0.385 -4.740 1.00 0.11 H new ATOM 0 HA LEU A 65 4.216 -0.454 -4.215 1.00 0.11 H new ATOM 0 HB2 LEU A 65 6.236 1.328 -2.966 1.00 0.13 H new ATOM 0 HB3 LEU A 65 4.581 1.588 -2.453 1.00 0.13 H new ATOM 0 HG LEU A 65 5.443 -1.247 -2.495 1.00 0.18 H new ATOM 0 HD11 LEU A 65 6.700 -1.034 -0.394 1.00 0.22 H new ATOM 0 HD12 LEU A 65 7.501 -0.173 -1.730 1.00 0.22 H new ATOM 0 HD13 LEU A 65 6.584 0.738 -0.508 1.00 0.22 H new ATOM 0 HD21 LEU A 65 4.238 -1.261 -0.356 1.00 0.23 H new ATOM 0 HD22 LEU A 65 4.033 0.503 -0.461 1.00 0.23 H new ATOM 0 HD23 LEU A 65 3.256 -0.555 -1.661 1.00 0.23 H new ATOM 1074 N LEU A 66 4.407 2.474 -5.599 1.00 0.08 N ATOM 1075 CA LEU A 66 3.634 3.560 -6.181 1.00 0.09 C ATOM 1076 C LEU A 66 2.480 3.002 -7.001 1.00 0.11 C ATOM 1077 O LEU A 66 1.474 3.677 -7.221 1.00 0.14 O ATOM 1078 CB LEU A 66 4.530 4.455 -7.037 1.00 0.11 C ATOM 1079 CG LEU A 66 5.262 5.550 -6.259 1.00 0.12 C ATOM 1080 CD1 LEU A 66 6.662 5.759 -6.808 1.00 0.15 C ATOM 1081 CD2 LEU A 66 4.473 6.850 -6.300 1.00 0.14 C ATOM 0 H LEU A 66 5.394 2.474 -5.856 1.00 0.08 H new ATOM 0 HA LEU A 66 3.220 4.168 -5.376 1.00 0.09 H new ATOM 0 HB2 LEU A 66 5.267 3.832 -7.543 1.00 0.11 H new ATOM 0 HB3 LEU A 66 3.922 4.922 -7.812 1.00 0.11 H new ATOM 0 HG LEU A 66 5.349 5.230 -5.221 1.00 0.12 H new ATOM 0 HD11 LEU A 66 7.163 6.542 -6.239 1.00 0.15 H new ATOM 0 HD12 LEU A 66 7.228 4.831 -6.724 1.00 0.15 H new ATOM 0 HD13 LEU A 66 6.602 6.054 -7.856 1.00 0.15 H new ATOM 0 HD21 LEU A 66 5.008 7.618 -5.742 1.00 0.14 H new ATOM 0 HD22 LEU A 66 4.353 7.171 -7.335 1.00 0.14 H new ATOM 0 HD23 LEU A 66 3.491 6.694 -5.853 1.00 0.14 H new ATOM 1093 N LYS A 67 2.635 1.760 -7.451 1.00 0.12 N ATOM 1094 CA LYS A 67 1.590 1.094 -8.215 1.00 0.16 C ATOM 1095 C LYS A 67 0.484 0.670 -7.269 1.00 0.14 C ATOM 1096 O LYS A 67 -0.700 0.778 -7.581 1.00 0.16 O ATOM 1097 CB LYS A 67 2.141 -0.132 -8.945 1.00 0.22 C ATOM 1098 CG LYS A 67 2.955 0.209 -10.182 1.00 0.84 C ATOM 1099 CD LYS A 67 2.063 0.708 -11.310 1.00 1.26 C ATOM 1100 CE LYS A 67 1.046 -0.345 -11.718 1.00 1.56 C ATOM 1101 NZ LYS A 67 1.672 -1.463 -12.476 1.00 2.20 N ATOM 0 H LYS A 67 3.472 1.198 -7.299 1.00 0.12 H new ATOM 0 HA LYS A 67 1.203 1.787 -8.962 1.00 0.16 H new ATOM 0 HB2 LYS A 67 2.764 -0.704 -8.257 1.00 0.22 H new ATOM 0 HB3 LYS A 67 1.310 -0.776 -9.234 1.00 0.22 H new ATOM 0 HG2 LYS A 67 3.694 0.971 -9.935 1.00 0.84 H new ATOM 0 HG3 LYS A 67 3.505 -0.672 -10.513 1.00 0.84 H new ATOM 0 HD2 LYS A 67 1.545 1.613 -10.993 1.00 1.26 H new ATOM 0 HD3 LYS A 67 2.677 0.976 -12.170 1.00 1.26 H new ATOM 0 HE2 LYS A 67 0.557 -0.740 -10.828 1.00 1.56 H new ATOM 0 HE3 LYS A 67 0.271 0.118 -12.329 1.00 1.56 H new ATOM 0 HZ1 LYS A 67 0.943 -2.158 -12.734 1.00 2.20 H new ATOM 0 HZ2 LYS A 67 2.117 -1.091 -13.339 1.00 2.20 H new ATOM 0 HZ3 LYS A 67 2.394 -1.922 -11.885 1.00 2.20 H new ATOM 1115 N ALA A 68 0.896 0.196 -6.101 1.00 0.12 N ATOM 1116 CA ALA A 68 -0.037 -0.246 -5.079 1.00 0.14 C ATOM 1117 C ALA A 68 -0.745 0.949 -4.461 1.00 0.13 C ATOM 1118 O ALA A 68 -1.833 0.824 -3.907 1.00 0.23 O ATOM 1119 CB ALA A 68 0.698 -1.039 -4.009 1.00 0.17 C ATOM 0 H ALA A 68 1.878 0.108 -5.839 1.00 0.12 H new ATOM 0 HA ALA A 68 -0.785 -0.891 -5.540 1.00 0.14 H new ATOM 0 HB1 ALA A 68 -0.010 -1.366 -3.248 1.00 0.17 H new ATOM 0 HB2 ALA A 68 1.171 -1.910 -4.462 1.00 0.17 H new ATOM 0 HB3 ALA A 68 1.460 -0.410 -3.549 1.00 0.17 H new ATOM 1125 N PHE A 69 -0.111 2.110 -4.568 1.00 0.11 N ATOM 1126 CA PHE A 69 -0.657 3.338 -4.019 1.00 0.11 C ATOM 1127 C PHE A 69 -1.873 3.819 -4.810 1.00 0.10 C ATOM 1128 O PHE A 69 -2.878 4.228 -4.231 1.00 0.12 O ATOM 1129 CB PHE A 69 0.420 4.429 -4.022 1.00 0.11 C ATOM 1130 CG PHE A 69 1.519 4.248 -2.999 1.00 0.10 C ATOM 1131 CD1 PHE A 69 1.505 3.192 -2.094 1.00 0.10 C ATOM 1132 CD2 PHE A 69 2.568 5.154 -2.939 1.00 0.11 C ATOM 1133 CE1 PHE A 69 2.509 3.050 -1.156 1.00 0.10 C ATOM 1134 CE2 PHE A 69 3.576 5.012 -2.004 1.00 0.12 C ATOM 1135 CZ PHE A 69 3.545 3.960 -1.110 1.00 0.12 C ATOM 0 H PHE A 69 0.789 2.224 -5.035 1.00 0.11 H new ATOM 0 HA PHE A 69 -0.979 3.133 -2.998 1.00 0.11 H new ATOM 0 HB2 PHE A 69 0.871 4.470 -5.014 1.00 0.11 H new ATOM 0 HB3 PHE A 69 -0.060 5.392 -3.850 1.00 0.11 H new ATOM 0 HD1 PHE A 69 0.699 2.474 -2.125 1.00 0.10 H new ATOM 0 HD2 PHE A 69 2.597 5.982 -3.632 1.00 0.11 H new ATOM 0 HE1 PHE A 69 2.483 2.226 -0.458 1.00 0.10 H new ATOM 0 HE2 PHE A 69 4.388 5.724 -1.973 1.00 0.12 H new ATOM 0 HZ PHE A 69 4.330 3.850 -0.376 1.00 0.12 H new ATOM 1145 N GLY A 70 -1.775 3.765 -6.135 1.00 0.11 N ATOM 1146 CA GLY A 70 -2.863 4.230 -6.982 1.00 0.13 C ATOM 1147 C GLY A 70 -4.054 3.295 -7.033 1.00 0.13 C ATOM 1148 O GLY A 70 -5.196 3.739 -6.916 1.00 0.13 O ATOM 0 H GLY A 70 -0.963 3.408 -6.639 1.00 0.11 H new ATOM 0 HA2 GLY A 70 -3.196 5.205 -6.625 1.00 0.13 H new ATOM 0 HA3 GLY A 70 -2.485 4.374 -7.994 1.00 0.13 H new ATOM 1152 N ILE A 71 -3.799 2.007 -7.217 1.00 0.14 N ATOM 1153 CA ILE A 71 -4.873 1.024 -7.294 1.00 0.15 C ATOM 1154 C ILE A 71 -5.779 1.117 -6.073 1.00 0.13 C ATOM 1155 O ILE A 71 -6.992 0.940 -6.174 1.00 0.13 O ATOM 1156 CB ILE A 71 -4.308 -0.404 -7.412 1.00 0.19 C ATOM 1157 CG1 ILE A 71 -3.345 -0.486 -8.594 1.00 0.22 C ATOM 1158 CG2 ILE A 71 -5.431 -1.417 -7.575 1.00 0.22 C ATOM 1159 CD1 ILE A 71 -2.306 -1.573 -8.450 1.00 0.25 C ATOM 0 H ILE A 71 -2.861 1.618 -7.316 1.00 0.14 H new ATOM 0 HA ILE A 71 -5.457 1.244 -8.187 1.00 0.15 H new ATOM 0 HB ILE A 71 -3.768 -0.640 -6.495 1.00 0.19 H new ATOM 0 HG12 ILE A 71 -3.916 -0.659 -9.506 1.00 0.22 H new ATOM 0 HG13 ILE A 71 -2.842 0.474 -8.710 1.00 0.22 H new ATOM 0 HG21 ILE A 71 -5.009 -2.419 -7.656 1.00 0.22 H new ATOM 0 HG22 ILE A 71 -6.091 -1.371 -6.709 1.00 0.22 H new ATOM 0 HG23 ILE A 71 -5.999 -1.188 -8.477 1.00 0.22 H new ATOM 0 HD11 ILE A 71 -1.656 -1.574 -9.325 1.00 0.25 H new ATOM 0 HD12 ILE A 71 -1.710 -1.390 -7.556 1.00 0.25 H new ATOM 0 HD13 ILE A 71 -2.801 -2.540 -8.365 1.00 0.25 H new ATOM 1171 N VAL A 72 -5.182 1.398 -4.922 1.00 0.11 N ATOM 1172 CA VAL A 72 -5.945 1.527 -3.685 1.00 0.11 C ATOM 1173 C VAL A 72 -6.765 2.811 -3.696 1.00 0.12 C ATOM 1174 O VAL A 72 -7.954 2.801 -3.398 1.00 0.15 O ATOM 1175 CB VAL A 72 -5.035 1.527 -2.443 1.00 0.11 C ATOM 1176 CG1 VAL A 72 -5.860 1.667 -1.170 1.00 0.12 C ATOM 1177 CG2 VAL A 72 -4.179 0.270 -2.399 1.00 0.12 C ATOM 0 H VAL A 72 -4.177 1.540 -4.818 1.00 0.11 H new ATOM 0 HA VAL A 72 -6.605 0.662 -3.630 1.00 0.11 H new ATOM 0 HB VAL A 72 -4.368 2.386 -2.511 1.00 0.11 H new ATOM 0 HG11 VAL A 72 -5.197 1.665 -0.305 1.00 0.12 H new ATOM 0 HG12 VAL A 72 -6.417 2.604 -1.198 1.00 0.12 H new ATOM 0 HG13 VAL A 72 -6.558 0.833 -1.095 1.00 0.12 H new ATOM 0 HG21 VAL A 72 -3.545 0.293 -1.513 1.00 0.12 H new ATOM 0 HG22 VAL A 72 -4.824 -0.608 -2.361 1.00 0.12 H new ATOM 0 HG23 VAL A 72 -3.555 0.224 -3.291 1.00 0.12 H new ATOM 1187 N ILE A 73 -6.103 3.913 -4.048 1.00 0.13 N ATOM 1188 CA ILE A 73 -6.734 5.230 -4.097 1.00 0.16 C ATOM 1189 C ILE A 73 -8.004 5.231 -4.949 1.00 0.19 C ATOM 1190 O ILE A 73 -9.048 5.708 -4.522 1.00 0.28 O ATOM 1191 CB ILE A 73 -5.743 6.276 -4.657 1.00 0.18 C ATOM 1192 CG1 ILE A 73 -4.729 6.678 -3.585 1.00 0.16 C ATOM 1193 CG2 ILE A 73 -6.487 7.497 -5.172 1.00 0.24 C ATOM 1194 CD1 ILE A 73 -3.576 7.504 -4.111 1.00 0.16 C ATOM 0 H ILE A 73 -5.116 3.917 -4.307 1.00 0.13 H new ATOM 0 HA ILE A 73 -7.014 5.488 -3.076 1.00 0.16 H new ATOM 0 HB ILE A 73 -5.204 5.827 -5.491 1.00 0.18 H new ATOM 0 HG12 ILE A 73 -5.242 7.243 -2.807 1.00 0.16 H new ATOM 0 HG13 ILE A 73 -4.334 5.777 -3.117 1.00 0.16 H new ATOM 0 HG21 ILE A 73 -5.772 8.221 -5.562 1.00 0.24 H new ATOM 0 HG22 ILE A 73 -7.171 7.198 -5.967 1.00 0.24 H new ATOM 0 HG23 ILE A 73 -7.053 7.949 -4.357 1.00 0.24 H new ATOM 0 HD11 ILE A 73 -2.901 7.749 -3.291 1.00 0.16 H new ATOM 0 HD12 ILE A 73 -3.036 6.935 -4.868 1.00 0.16 H new ATOM 0 HD13 ILE A 73 -3.959 8.424 -4.553 1.00 0.16 H new ATOM 1206 N ASP A 74 -7.895 4.705 -6.153 1.00 0.18 N ATOM 1207 CA ASP A 74 -9.023 4.656 -7.086 1.00 0.21 C ATOM 1208 C ASP A 74 -10.154 3.782 -6.551 1.00 0.19 C ATOM 1209 O ASP A 74 -11.279 4.254 -6.403 1.00 0.22 O ATOM 1210 CB ASP A 74 -8.559 4.134 -8.448 1.00 0.26 C ATOM 1211 CG ASP A 74 -9.407 4.658 -9.590 1.00 0.44 C ATOM 1212 OD1 ASP A 74 -9.122 5.771 -10.080 1.00 0.61 O ATOM 1213 OD2 ASP A 74 -10.356 3.955 -9.997 1.00 0.55 O ATOM 0 H ASP A 74 -7.033 4.300 -6.518 1.00 0.18 H new ATOM 0 HA ASP A 74 -9.406 5.670 -7.199 1.00 0.21 H new ATOM 0 HB2 ASP A 74 -7.520 4.422 -8.609 1.00 0.26 H new ATOM 0 HB3 ASP A 74 -8.591 3.044 -8.446 1.00 0.26 H new ATOM 1218 N TYR A 75 -9.865 2.509 -6.277 1.00 0.20 N ATOM 1219 CA TYR A 75 -10.881 1.609 -5.745 1.00 0.25 C ATOM 1220 C TYR A 75 -11.474 2.215 -4.489 1.00 0.27 C ATOM 1221 O TYR A 75 -12.647 2.027 -4.179 1.00 0.34 O ATOM 1222 CB TYR A 75 -10.287 0.225 -5.491 1.00 0.31 C ATOM 1223 CG TYR A 75 -10.091 -0.555 -6.774 1.00 0.52 C ATOM 1224 CD1 TYR A 75 -11.087 -0.577 -7.742 1.00 0.26 C ATOM 1225 CD2 TYR A 75 -8.920 -1.256 -7.024 1.00 1.16 C ATOM 1226 CE1 TYR A 75 -10.925 -1.274 -8.920 1.00 0.40 C ATOM 1227 CE2 TYR A 75 -8.750 -1.958 -8.203 1.00 1.41 C ATOM 1228 CZ TYR A 75 -9.755 -1.964 -9.147 1.00 0.99 C ATOM 1229 OH TYR A 75 -9.587 -2.661 -10.321 1.00 1.24 O ATOM 0 H TYR A 75 -8.947 2.085 -6.413 1.00 0.20 H new ATOM 0 HA TYR A 75 -11.683 1.481 -6.472 1.00 0.25 H new ATOM 0 HB2 TYR A 75 -9.329 0.330 -4.981 1.00 0.31 H new ATOM 0 HB3 TYR A 75 -10.943 -0.334 -4.824 1.00 0.31 H new ATOM 0 HD1 TYR A 75 -12.006 -0.037 -7.568 1.00 0.26 H new ATOM 0 HD2 TYR A 75 -8.130 -1.253 -6.287 1.00 1.16 H new ATOM 0 HE1 TYR A 75 -11.711 -1.279 -9.661 1.00 0.40 H new ATOM 0 HE2 TYR A 75 -7.833 -2.500 -8.384 1.00 1.41 H new ATOM 0 HH TYR A 75 -8.706 -3.091 -10.323 1.00 1.24 H new ATOM 1239 N LYS A 76 -10.643 2.956 -3.779 1.00 0.24 N ATOM 1240 CA LYS A 76 -11.068 3.658 -2.586 1.00 0.30 C ATOM 1241 C LYS A 76 -12.099 4.701 -2.987 1.00 0.37 C ATOM 1242 O LYS A 76 -13.163 4.830 -2.381 1.00 0.51 O ATOM 1243 CB LYS A 76 -9.859 4.343 -1.956 1.00 0.29 C ATOM 1244 CG LYS A 76 -10.191 5.261 -0.806 1.00 0.40 C ATOM 1245 CD LYS A 76 -9.395 6.547 -0.918 1.00 0.43 C ATOM 1246 CE LYS A 76 -7.900 6.296 -0.927 1.00 0.75 C ATOM 1247 NZ LYS A 76 -7.140 7.528 -1.267 1.00 1.66 N ATOM 0 H LYS A 76 -9.659 3.087 -4.013 1.00 0.24 H new ATOM 0 HA LYS A 76 -11.503 2.965 -1.866 1.00 0.30 H new ATOM 0 HB2 LYS A 76 -9.165 3.579 -1.606 1.00 0.29 H new ATOM 0 HB3 LYS A 76 -9.340 4.916 -2.724 1.00 0.29 H new ATOM 0 HG2 LYS A 76 -11.258 5.484 -0.805 1.00 0.40 H new ATOM 0 HG3 LYS A 76 -9.967 4.767 0.140 1.00 0.40 H new ATOM 0 HD2 LYS A 76 -9.679 7.070 -1.831 1.00 0.43 H new ATOM 0 HD3 LYS A 76 -9.647 7.202 -0.084 1.00 0.43 H new ATOM 0 HE2 LYS A 76 -7.586 5.932 0.051 1.00 0.75 H new ATOM 0 HE3 LYS A 76 -7.666 5.513 -1.648 1.00 0.75 H new ATOM 0 HZ1 LYS A 76 -6.218 7.511 -0.786 1.00 1.66 H new ATOM 0 HZ2 LYS A 76 -6.993 7.572 -2.296 1.00 1.66 H new ATOM 0 HZ3 LYS A 76 -7.677 8.363 -0.958 1.00 1.66 H new ATOM 1261 N GLU A 77 -11.745 5.438 -4.032 1.00 0.31 N ATOM 1262 CA GLU A 77 -12.577 6.476 -4.595 1.00 0.36 C ATOM 1263 C GLU A 77 -13.809 5.893 -5.284 1.00 0.34 C ATOM 1264 O GLU A 77 -14.787 6.600 -5.528 1.00 0.39 O ATOM 1265 CB GLU A 77 -11.728 7.271 -5.581 1.00 0.38 C ATOM 1266 CG GLU A 77 -10.704 8.150 -4.891 1.00 0.49 C ATOM 1267 CD GLU A 77 -10.149 9.232 -5.798 1.00 0.80 C ATOM 1268 OE1 GLU A 77 -10.781 10.304 -5.899 1.00 1.09 O ATOM 1269 OE2 GLU A 77 -9.083 9.005 -6.408 1.00 1.16 O ATOM 0 H GLU A 77 -10.854 5.324 -4.516 1.00 0.31 H new ATOM 0 HA GLU A 77 -12.943 7.126 -3.800 1.00 0.36 H new ATOM 0 HB2 GLU A 77 -11.216 6.582 -6.253 1.00 0.38 H new ATOM 0 HB3 GLU A 77 -12.379 7.892 -6.197 1.00 0.38 H new ATOM 0 HG2 GLU A 77 -11.161 8.614 -4.017 1.00 0.49 H new ATOM 0 HG3 GLU A 77 -9.884 7.529 -4.530 1.00 0.49 H new ATOM 1276 N ARG A 78 -13.754 4.601 -5.594 1.00 0.31 N ATOM 1277 CA ARG A 78 -14.866 3.920 -6.245 1.00 0.33 C ATOM 1278 C ARG A 78 -15.772 3.272 -5.210 1.00 0.36 C ATOM 1279 O ARG A 78 -16.574 2.396 -5.536 1.00 0.43 O ATOM 1280 CB ARG A 78 -14.349 2.843 -7.194 1.00 0.34 C ATOM 1281 CG ARG A 78 -13.719 3.378 -8.466 1.00 0.46 C ATOM 1282 CD ARG A 78 -13.275 2.244 -9.374 1.00 0.42 C ATOM 1283 NE ARG A 78 -12.703 2.733 -10.623 1.00 1.15 N ATOM 1284 CZ ARG A 78 -12.109 1.952 -11.521 1.00 1.36 C ATOM 1285 NH1 ARG A 78 -12.013 0.646 -11.309 1.00 1.04 N ATOM 1286 NH2 ARG A 78 -11.612 2.476 -12.633 1.00 2.37 N ATOM 0 H ARG A 78 -12.949 4.004 -5.404 1.00 0.31 H new ATOM 0 HA ARG A 78 -15.431 4.662 -6.809 1.00 0.33 H new ATOM 0 HB2 ARG A 78 -13.614 2.234 -6.667 1.00 0.34 H new ATOM 0 HB3 ARG A 78 -15.175 2.185 -7.461 1.00 0.34 H new ATOM 0 HG2 ARG A 78 -14.434 4.010 -8.992 1.00 0.46 H new ATOM 0 HG3 ARG A 78 -12.863 4.005 -8.216 1.00 0.46 H new ATOM 0 HD2 ARG A 78 -12.539 1.631 -8.854 1.00 0.42 H new ATOM 0 HD3 ARG A 78 -14.127 1.601 -9.593 1.00 0.42 H new ATOM 0 HE ARG A 78 -12.762 3.732 -10.819 1.00 1.15 H new ATOM 0 HH11 ARG A 78 -12.395 0.238 -10.456 1.00 1.04 H new ATOM 0 HH12 ARG A 78 -11.557 0.049 -11.999 1.00 1.04 H new ATOM 0 HH21 ARG A 78 -11.685 3.479 -12.801 1.00 2.37 H new ATOM 0 HH22 ARG A 78 -11.157 1.876 -13.321 1.00 2.37 H new ATOM 1300 N ASP A 79 -15.641 3.712 -3.964 1.00 0.38 N ATOM 1301 CA ASP A 79 -16.420 3.164 -2.874 1.00 0.43 C ATOM 1302 C ASP A 79 -16.276 1.646 -2.842 1.00 0.40 C ATOM 1303 O ASP A 79 -17.156 0.932 -2.361 1.00 0.47 O ATOM 1304 CB ASP A 79 -17.882 3.562 -3.024 1.00 0.54 C ATOM 1305 CG ASP A 79 -18.048 5.018 -3.414 1.00 1.47 C ATOM 1306 OD1 ASP A 79 -17.993 5.318 -4.625 1.00 2.00 O ATOM 1307 OD2 ASP A 79 -18.231 5.858 -2.509 1.00 2.13 O ATOM 0 H ASP A 79 -14.996 4.452 -3.688 1.00 0.38 H new ATOM 0 HA ASP A 79 -16.048 3.567 -1.932 1.00 0.43 H new ATOM 0 HB2 ASP A 79 -18.352 2.931 -3.778 1.00 0.54 H new ATOM 0 HB3 ASP A 79 -18.404 3.379 -2.085 1.00 0.54 H new ATOM 1312 N LEU A 80 -15.149 1.168 -3.362 1.00 0.32 N ATOM 1313 CA LEU A 80 -14.862 -0.258 -3.413 1.00 0.32 C ATOM 1314 C LEU A 80 -14.173 -0.720 -2.132 1.00 0.31 C ATOM 1315 O LEU A 80 -13.948 -1.913 -1.930 1.00 0.50 O ATOM 1316 CB LEU A 80 -14.000 -0.582 -4.639 1.00 0.29 C ATOM 1317 CG LEU A 80 -14.721 -1.360 -5.735 1.00 0.36 C ATOM 1318 CD1 LEU A 80 -15.319 -0.403 -6.751 1.00 0.38 C ATOM 1319 CD2 LEU A 80 -13.768 -2.320 -6.414 1.00 0.39 C ATOM 0 H LEU A 80 -14.415 1.756 -3.757 1.00 0.32 H new ATOM 0 HA LEU A 80 -15.806 -0.796 -3.500 1.00 0.32 H new ATOM 0 HB2 LEU A 80 -13.626 0.351 -5.060 1.00 0.29 H new ATOM 0 HB3 LEU A 80 -13.132 -1.156 -4.315 1.00 0.29 H new ATOM 0 HG LEU A 80 -15.527 -1.936 -5.281 1.00 0.36 H new ATOM 0 HD11 LEU A 80 -15.831 -0.971 -7.528 1.00 0.38 H new ATOM 0 HD12 LEU A 80 -16.031 0.256 -6.255 1.00 0.38 H new ATOM 0 HD13 LEU A 80 -14.525 0.193 -7.201 1.00 0.38 H new ATOM 0 HD21 LEU A 80 -14.297 -2.868 -7.194 1.00 0.39 H new ATOM 0 HD22 LEU A 80 -12.944 -1.761 -6.858 1.00 0.39 H new ATOM 0 HD23 LEU A 80 -13.375 -3.023 -5.680 1.00 0.39 H new ATOM 1331 N ILE A 81 -13.841 0.239 -1.271 1.00 0.18 N ATOM 1332 CA ILE A 81 -13.192 -0.057 0.002 1.00 0.14 C ATOM 1333 C ILE A 81 -14.101 0.321 1.163 1.00 0.13 C ATOM 1334 O ILE A 81 -14.711 1.391 1.164 1.00 0.15 O ATOM 1335 CB ILE A 81 -11.852 0.693 0.149 1.00 0.13 C ATOM 1336 CG1 ILE A 81 -10.899 0.294 -0.981 1.00 0.15 C ATOM 1337 CG2 ILE A 81 -11.225 0.403 1.511 1.00 0.11 C ATOM 1338 CD1 ILE A 81 -9.539 0.954 -0.897 1.00 0.17 C ATOM 0 H ILE A 81 -14.012 1.231 -1.434 1.00 0.18 H new ATOM 0 HA ILE A 81 -12.994 -1.129 0.018 1.00 0.14 H new ATOM 0 HB ILE A 81 -12.040 1.765 0.082 1.00 0.13 H new ATOM 0 HG12 ILE A 81 -10.768 -0.788 -0.968 1.00 0.15 H new ATOM 0 HG13 ILE A 81 -11.357 0.548 -1.937 1.00 0.15 H new ATOM 0 HG21 ILE A 81 -10.280 0.940 1.598 1.00 0.11 H new ATOM 0 HG22 ILE A 81 -11.902 0.729 2.300 1.00 0.11 H new ATOM 0 HG23 ILE A 81 -11.044 -0.668 1.608 1.00 0.11 H new ATOM 0 HD11 ILE A 81 -8.921 0.622 -1.731 1.00 0.17 H new ATOM 0 HD12 ILE A 81 -9.657 2.037 -0.941 1.00 0.17 H new ATOM 0 HD13 ILE A 81 -9.059 0.679 0.042 1.00 0.17 H new ATOM 1350 N ASP A 82 -14.188 -0.563 2.148 1.00 0.13 N ATOM 1351 CA ASP A 82 -15.024 -0.324 3.313 1.00 0.13 C ATOM 1352 C ASP A 82 -14.546 0.903 4.072 1.00 0.13 C ATOM 1353 O ASP A 82 -13.347 1.080 4.294 1.00 0.13 O ATOM 1354 CB ASP A 82 -14.997 -1.536 4.239 1.00 0.15 C ATOM 1355 CG ASP A 82 -16.240 -1.632 5.103 1.00 0.20 C ATOM 1356 OD1 ASP A 82 -16.357 -0.846 6.066 1.00 0.41 O ATOM 1357 OD2 ASP A 82 -17.096 -2.495 4.815 1.00 0.47 O ATOM 0 H ASP A 82 -13.689 -1.452 2.162 1.00 0.13 H new ATOM 0 HA ASP A 82 -16.044 -0.153 2.970 1.00 0.13 H new ATOM 0 HB2 ASP A 82 -14.902 -2.443 3.643 1.00 0.15 H new ATOM 0 HB3 ASP A 82 -14.116 -1.481 4.879 1.00 0.15 H new ATOM 1362 N ARG A 83 -15.488 1.749 4.469 1.00 0.15 N ATOM 1363 CA ARG A 83 -15.161 2.956 5.211 1.00 0.16 C ATOM 1364 C ARG A 83 -14.512 2.607 6.544 1.00 0.18 C ATOM 1365 O ARG A 83 -13.949 3.470 7.217 1.00 0.20 O ATOM 1366 CB ARG A 83 -16.410 3.812 5.429 1.00 0.19 C ATOM 1367 CG ARG A 83 -16.903 4.492 4.160 1.00 0.33 C ATOM 1368 CD ARG A 83 -15.897 5.514 3.648 1.00 0.63 C ATOM 1369 NE ARG A 83 -16.215 5.971 2.298 1.00 0.52 N ATOM 1370 CZ ARG A 83 -17.061 6.964 2.035 1.00 0.81 C ATOM 1371 NH1 ARG A 83 -17.669 7.603 3.025 1.00 0.90 N ATOM 1372 NH2 ARG A 83 -17.296 7.321 0.779 1.00 1.48 N ATOM 0 H ARG A 83 -16.484 1.620 4.289 1.00 0.15 H new ATOM 0 HA ARG A 83 -14.448 3.535 4.623 1.00 0.16 H new ATOM 0 HB2 ARG A 83 -17.206 3.185 5.830 1.00 0.19 H new ATOM 0 HB3 ARG A 83 -16.195 4.572 6.180 1.00 0.19 H new ATOM 0 HG2 ARG A 83 -17.084 3.741 3.391 1.00 0.33 H new ATOM 0 HG3 ARG A 83 -17.856 4.984 4.356 1.00 0.33 H new ATOM 0 HD2 ARG A 83 -15.874 6.369 4.324 1.00 0.63 H new ATOM 0 HD3 ARG A 83 -14.899 5.075 3.656 1.00 0.63 H new ATOM 0 HE ARG A 83 -15.763 5.503 1.512 1.00 0.52 H new ATOM 0 HH11 ARG A 83 -17.489 7.334 3.992 1.00 0.90 H new ATOM 0 HH12 ARG A 83 -18.317 8.364 2.819 1.00 0.90 H new ATOM 0 HH21 ARG A 83 -16.828 6.834 0.014 1.00 1.48 H new ATOM 0 HH22 ARG A 83 -17.945 8.082 0.578 1.00 1.48 H new ATOM 1386 N SER A 84 -14.602 1.334 6.922 1.00 0.17 N ATOM 1387 CA SER A 84 -14.014 0.867 8.170 1.00 0.20 C ATOM 1388 C SER A 84 -12.492 0.946 8.099 1.00 0.19 C ATOM 1389 O SER A 84 -11.830 1.244 9.093 1.00 0.23 O ATOM 1390 CB SER A 84 -14.456 -0.566 8.468 1.00 0.22 C ATOM 1391 OG SER A 84 -14.063 -0.959 9.772 1.00 1.09 O ATOM 0 H SER A 84 -15.076 0.610 6.381 1.00 0.17 H new ATOM 0 HA SER A 84 -14.362 1.511 8.978 1.00 0.20 H new ATOM 0 HB2 SER A 84 -15.539 -0.643 8.372 1.00 0.22 H new ATOM 0 HB3 SER A 84 -14.022 -1.244 7.734 1.00 0.22 H new ATOM 0 HG SER A 84 -14.608 -1.720 10.063 1.00 1.09 H new ATOM 1397 N ALA A 85 -11.945 0.673 6.915 1.00 0.16 N ATOM 1398 CA ALA A 85 -10.502 0.734 6.712 1.00 0.16 C ATOM 1399 C ALA A 85 -9.999 2.143 6.972 1.00 0.19 C ATOM 1400 O ALA A 85 -8.976 2.342 7.628 1.00 0.22 O ATOM 1401 CB ALA A 85 -10.137 0.309 5.295 1.00 0.14 C ATOM 0 H ALA A 85 -12.478 0.409 6.087 1.00 0.16 H new ATOM 0 HA ALA A 85 -10.028 0.047 7.413 1.00 0.16 H new ATOM 0 HB1 ALA A 85 -9.056 0.362 5.166 1.00 0.14 H new ATOM 0 HB2 ALA A 85 -10.473 -0.714 5.124 1.00 0.14 H new ATOM 0 HB3 ALA A 85 -10.621 0.974 4.580 1.00 0.14 H new ATOM 1407 N TYR A 86 -10.740 3.112 6.445 1.00 0.20 N ATOM 1408 CA TYR A 86 -10.398 4.528 6.602 1.00 0.25 C ATOM 1409 C TYR A 86 -9.959 4.837 8.032 1.00 0.31 C ATOM 1410 O TYR A 86 -8.735 4.911 8.272 1.00 1.10 O ATOM 1411 CB TYR A 86 -11.592 5.414 6.233 1.00 0.28 C ATOM 1412 CG TYR A 86 -11.906 5.454 4.754 1.00 0.28 C ATOM 1413 CD1 TYR A 86 -12.194 4.292 4.058 1.00 0.23 C ATOM 1414 CD2 TYR A 86 -11.925 6.658 4.060 1.00 0.40 C ATOM 1415 CE1 TYR A 86 -12.494 4.321 2.711 1.00 0.26 C ATOM 1416 CE2 TYR A 86 -12.222 6.697 2.712 1.00 0.44 C ATOM 1417 CZ TYR A 86 -12.506 5.526 2.041 1.00 0.34 C ATOM 1418 OH TYR A 86 -12.810 5.561 0.700 1.00 0.40 O ATOM 1419 OXT TYR A 86 -10.843 5.002 8.899 1.00 1.02 O ATOM 0 H TYR A 86 -11.587 2.945 5.902 1.00 0.20 H new ATOM 0 HA TYR A 86 -9.568 4.741 5.929 1.00 0.25 H new ATOM 0 HB2 TYR A 86 -12.472 5.059 6.770 1.00 0.28 H new ATOM 0 HB3 TYR A 86 -11.396 6.429 6.578 1.00 0.28 H new ATOM 0 HD1 TYR A 86 -12.184 3.346 4.579 1.00 0.23 H new ATOM 0 HD2 TYR A 86 -11.704 7.577 4.583 1.00 0.40 H new ATOM 0 HE1 TYR A 86 -12.718 3.405 2.185 1.00 0.26 H new ATOM 0 HE2 TYR A 86 -12.232 7.640 2.186 1.00 0.44 H new ATOM 0 HH TYR A 86 -12.622 6.455 0.345 1.00 0.40 H new