USER MOD reduce.3.24.130724 H: found=0, std=0, add=976, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 862 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: B 28 ASN : amide:sc= -0.515 K(o=-0.83,f=0.083) USER MOD Set 1.2: B 78 HIS : no HE2:sc= -0.319 K(o=-0.83,f=0.083) USER MOD Set 2.1: A 28 ASN : amide:sc= -0.506 K(o=-0.81,f=-0.017) USER MOD Set 2.2: A 78 HIS : no HE2:sc= -0.305 K(o=-0.81,f=-0.017) USER MOD Single : A 18 SER OG : rot 79:sc= 1.26 USER MOD Single : A 19 LYS NZ :NH3+ -153:sc= 1.14 (180deg=0.336) USER MOD Single : A 29 TYR OH : rot 165:sc= -0.0978 USER MOD Single : A 31 SER OG : rot 155:sc= 1.02 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 165:sc= -1.43 (180deg=-2.25!) USER MOD Single : A 40 SER OG : rot 180:sc= 0.104 USER MOD Single : A 46 SER OG : rot 13:sc= 0.0568 USER MOD Single : A 48 ASN : amide:sc= -1.29! K(o=-1.3!,f=-0.11) USER MOD Single : A 51 MET CE :methyl -156:sc= -1.45 (180deg=-3.66!) USER MOD Single : A 53 CYS SG : rot 73:sc= 1.1 USER MOD Single : A 55 SER OG : rot 81:sc= 1.02 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 169:sc= -0.0106 (180deg=-0.139) USER MOD Single : A 72 SER OG : rot 88:sc= 0.155 USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 85 SER OG : rot 72:sc= 1.18 USER MOD Single : B 18 SER OG : rot 90:sc= 1.19 USER MOD Single : B 19 LYS NZ :NH3+ -155:sc= 1.06 (180deg=0.213) USER MOD Single : B 29 TYR OH : rot 165:sc= -0.0682 USER MOD Single : B 31 SER OG : rot 180:sc= 1.04 USER MOD Single : B 32 SER OG : rot 180:sc= 0 USER MOD Single : B 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 37 LYS NZ :NH3+ 160:sc= -1.49 (180deg=-2.32!) USER MOD Single : B 40 SER OG : rot 180:sc= 0.114 USER MOD Single : B 46 SER OG : rot 13:sc= 0.169 USER MOD Single : B 48 ASN : amide:sc= -1.23! K(o=-1.2!,f=-0.13) USER MOD Single : B 51 MET CE :methyl -158:sc= -1.49 (180deg=-3.71!) USER MOD Single : B 53 CYS SG : rot 74:sc= 1.1 USER MOD Single : B 55 SER OG : rot 81:sc= 1.03 USER MOD Single : B 66 SER OG : rot 180:sc= 0 USER MOD Single : B 71 LYS NZ :NH3+ 170:sc= -0.0125 (180deg=-0.13) USER MOD Single : B 72 SER OG : rot 86:sc= 0.0541 USER MOD Single : B 84 ASN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : B 85 SER OG : rot 72:sc= 1.18 USER MOD ----------------------------------------------------------------- ATOM 48 N ALA A 17 -8.670 -7.042 7.558 1.00 0.93 N ATOM 49 CA ALA A 17 -7.510 -6.820 6.708 1.00 0.81 C ATOM 50 C ALA A 17 -6.234 -7.216 7.439 1.00 0.69 C ATOM 51 O ALA A 17 -5.707 -6.448 8.246 1.00 0.70 O ATOM 52 CB ALA A 17 -7.446 -5.365 6.265 1.00 1.09 C ATOM 0 HA ALA A 17 -7.605 -7.444 5.820 1.00 0.81 H new ATOM 0 HB1 ALA A 17 -6.573 -5.216 5.630 1.00 1.09 H new ATOM 0 HB2 ALA A 17 -8.348 -5.115 5.706 1.00 1.09 H new ATOM 0 HB3 ALA A 17 -7.372 -4.721 7.141 1.00 1.09 H new ATOM 58 N SER A 18 -5.747 -8.418 7.168 1.00 0.64 N ATOM 59 CA SER A 18 -4.554 -8.920 7.830 1.00 0.61 C ATOM 60 C SER A 18 -3.297 -8.306 7.216 1.00 0.50 C ATOM 61 O SER A 18 -3.339 -7.799 6.093 1.00 0.45 O ATOM 62 CB SER A 18 -4.497 -10.443 7.740 1.00 0.66 C ATOM 63 OG SER A 18 -5.765 -11.015 8.019 1.00 1.32 O ATOM 0 H SER A 18 -6.160 -9.063 6.494 1.00 0.64 H new ATOM 0 HA SER A 18 -4.599 -8.633 8.881 1.00 0.61 H new ATOM 0 HB2 SER A 18 -4.171 -10.740 6.743 1.00 0.66 H new ATOM 0 HB3 SER A 18 -3.758 -10.825 8.444 1.00 0.66 H new ATOM 0 HG SER A 18 -6.341 -10.935 7.230 1.00 1.32 H new ATOM 69 N LYS A 19 -2.191 -8.359 7.942 1.00 0.50 N ATOM 70 CA LYS A 19 -0.968 -7.677 7.530 1.00 0.43 C ATOM 71 C LYS A 19 -0.500 -8.135 6.147 1.00 0.34 C ATOM 72 O LYS A 19 -0.231 -7.310 5.268 1.00 0.28 O ATOM 73 CB LYS A 19 0.133 -7.906 8.568 1.00 0.54 C ATOM 74 CG LYS A 19 -0.289 -7.532 9.981 1.00 0.84 C ATOM 75 CD LYS A 19 0.886 -7.547 10.946 1.00 1.12 C ATOM 76 CE LYS A 19 0.438 -7.262 12.373 1.00 1.73 C ATOM 77 NZ LYS A 19 -0.369 -6.016 12.468 1.00 2.10 N ATOM 0 H LYS A 19 -2.113 -8.868 8.822 1.00 0.50 H new ATOM 0 HA LYS A 19 -1.186 -6.611 7.464 1.00 0.43 H new ATOM 0 HB2 LYS A 19 0.428 -8.955 8.550 1.00 0.54 H new ATOM 0 HB3 LYS A 19 1.011 -7.323 8.292 1.00 0.54 H new ATOM 0 HG2 LYS A 19 -0.741 -6.540 9.974 1.00 0.84 H new ATOM 0 HG3 LYS A 19 -1.053 -8.228 10.328 1.00 0.84 H new ATOM 0 HD2 LYS A 19 1.380 -8.518 10.905 1.00 1.12 H new ATOM 0 HD3 LYS A 19 1.621 -6.803 10.638 1.00 1.12 H new ATOM 0 HE2 LYS A 19 -0.149 -8.103 12.743 1.00 1.73 H new ATOM 0 HE3 LYS A 19 1.313 -7.176 13.017 1.00 1.73 H new ATOM 0 HZ1 LYS A 19 -0.271 -5.611 13.421 1.00 2.10 H new ATOM 0 HZ2 LYS A 19 -0.032 -5.330 11.763 1.00 2.10 H new ATOM 0 HZ3 LYS A 19 -1.369 -6.236 12.287 1.00 2.10 H new ATOM 91 N GLU A 20 -0.437 -9.447 5.948 1.00 0.41 N ATOM 92 CA GLU A 20 0.058 -10.008 4.697 1.00 0.41 C ATOM 93 C GLU A 20 -0.917 -9.746 3.552 1.00 0.34 C ATOM 94 O GLU A 20 -0.502 -9.573 2.409 1.00 0.30 O ATOM 95 CB GLU A 20 0.335 -11.517 4.825 1.00 0.57 C ATOM 96 CG GLU A 20 -0.857 -12.348 5.286 1.00 0.64 C ATOM 97 CD GLU A 20 -1.042 -12.333 6.789 1.00 0.95 C ATOM 98 OE1 GLU A 20 -1.599 -11.353 7.314 1.00 1.49 O ATOM 99 OE2 GLU A 20 -0.631 -13.306 7.452 1.00 1.57 O ATOM 0 H GLU A 20 -0.723 -10.142 6.638 1.00 0.41 H new ATOM 0 HA GLU A 20 1.000 -9.508 4.471 1.00 0.41 H new ATOM 0 HB2 GLU A 20 0.671 -11.894 3.859 1.00 0.57 H new ATOM 0 HB3 GLU A 20 1.156 -11.663 5.527 1.00 0.57 H new ATOM 0 HG2 GLU A 20 -1.762 -11.970 4.810 1.00 0.64 H new ATOM 0 HG3 GLU A 20 -0.727 -13.377 4.952 1.00 0.64 H new ATOM 106 N GLU A 21 -2.208 -9.703 3.869 1.00 0.37 N ATOM 107 CA GLU A 21 -3.235 -9.425 2.870 1.00 0.39 C ATOM 108 C GLU A 21 -3.045 -8.027 2.296 1.00 0.32 C ATOM 109 O GLU A 21 -3.138 -7.814 1.086 1.00 0.34 O ATOM 110 CB GLU A 21 -4.632 -9.543 3.484 1.00 0.50 C ATOM 111 CG GLU A 21 -4.965 -10.936 3.991 1.00 0.61 C ATOM 112 CD GLU A 21 -6.383 -11.044 4.520 1.00 0.91 C ATOM 113 OE1 GLU A 21 -6.677 -10.452 5.579 1.00 1.54 O ATOM 114 OE2 GLU A 21 -7.217 -11.728 3.883 1.00 1.49 O ATOM 0 H GLU A 21 -2.568 -9.857 4.811 1.00 0.37 H new ATOM 0 HA GLU A 21 -3.140 -10.159 2.070 1.00 0.39 H new ATOM 0 HB2 GLU A 21 -4.716 -8.837 4.310 1.00 0.50 H new ATOM 0 HB3 GLU A 21 -5.372 -9.252 2.738 1.00 0.50 H new ATOM 0 HG2 GLU A 21 -4.827 -11.655 3.183 1.00 0.61 H new ATOM 0 HG3 GLU A 21 -4.265 -11.207 4.781 1.00 0.61 H new ATOM 121 N ILE A 22 -2.767 -7.083 3.182 1.00 0.30 N ATOM 122 CA ILE A 22 -2.537 -5.703 2.789 1.00 0.28 C ATOM 123 C ILE A 22 -1.233 -5.578 2.013 1.00 0.24 C ATOM 124 O ILE A 22 -1.191 -4.975 0.941 1.00 0.26 O ATOM 125 CB ILE A 22 -2.487 -4.785 4.026 1.00 0.30 C ATOM 126 CG1 ILE A 22 -3.783 -4.922 4.825 1.00 0.36 C ATOM 127 CG2 ILE A 22 -2.259 -3.337 3.608 1.00 0.31 C ATOM 128 CD1 ILE A 22 -3.714 -4.304 6.199 1.00 0.44 C ATOM 0 H ILE A 22 -2.695 -7.250 4.186 1.00 0.30 H new ATOM 0 HA ILE A 22 -3.365 -5.395 2.151 1.00 0.28 H new ATOM 0 HB ILE A 22 -1.653 -5.087 4.659 1.00 0.30 H new ATOM 0 HG12 ILE A 22 -4.595 -4.456 4.267 1.00 0.36 H new ATOM 0 HG13 ILE A 22 -4.029 -5.979 4.923 1.00 0.36 H new ATOM 0 HG21 ILE A 22 -2.227 -2.703 4.494 1.00 0.31 H new ATOM 0 HG22 ILE A 22 -1.314 -3.258 3.071 1.00 0.31 H new ATOM 0 HG23 ILE A 22 -3.073 -3.013 2.960 1.00 0.31 H new ATOM 0 HD11 ILE A 22 -4.669 -4.440 6.707 1.00 0.44 H new ATOM 0 HD12 ILE A 22 -2.924 -4.786 6.775 1.00 0.44 H new ATOM 0 HD13 ILE A 22 -3.499 -3.239 6.109 1.00 0.44 H new ATOM 135 N ALA A 23 -0.175 -6.173 2.556 1.00 0.20 N ATOM 136 CA ALA A 23 1.141 -6.127 1.931 1.00 0.19 C ATOM 137 C ALA A 23 1.104 -6.724 0.530 1.00 0.20 C ATOM 138 O ALA A 23 1.779 -6.239 -0.377 1.00 0.20 O ATOM 139 CB ALA A 23 2.159 -6.860 2.788 1.00 0.20 C ATOM 0 H ALA A 23 -0.205 -6.695 3.432 1.00 0.20 H new ATOM 0 HA ALA A 23 1.438 -5.082 1.847 1.00 0.19 H new ATOM 0 HB1 ALA A 23 3.137 -6.817 2.308 1.00 0.20 H new ATOM 0 HB2 ALA A 23 2.215 -6.389 3.769 1.00 0.20 H new ATOM 0 HB3 ALA A 23 1.856 -7.901 2.902 1.00 0.20 H new ATOM 145 N ALA A 24 0.301 -7.770 0.365 1.00 0.22 N ATOM 146 CA ALA A 24 0.131 -8.418 -0.927 1.00 0.25 C ATOM 147 C ALA A 24 -0.390 -7.430 -1.965 1.00 0.24 C ATOM 148 O ALA A 24 0.105 -7.379 -3.089 1.00 0.25 O ATOM 149 CB ALA A 24 -0.815 -9.600 -0.798 1.00 0.31 C ATOM 0 H ALA A 24 -0.246 -8.188 1.118 1.00 0.22 H new ATOM 0 HA ALA A 24 1.103 -8.780 -1.262 1.00 0.25 H new ATOM 0 HB1 ALA A 24 -0.935 -10.078 -1.770 1.00 0.31 H new ATOM 0 HB2 ALA A 24 -0.405 -10.319 -0.089 1.00 0.31 H new ATOM 0 HB3 ALA A 24 -1.785 -9.253 -0.442 1.00 0.31 H new ATOM 155 N LEU A 25 -1.378 -6.637 -1.575 1.00 0.23 N ATOM 156 CA LEU A 25 -1.941 -5.627 -2.462 1.00 0.23 C ATOM 157 C LEU A 25 -0.947 -4.501 -2.706 1.00 0.22 C ATOM 158 O LEU A 25 -0.879 -3.947 -3.803 1.00 0.25 O ATOM 159 CB LEU A 25 -3.227 -5.056 -1.874 1.00 0.26 C ATOM 160 CG LEU A 25 -4.428 -5.996 -1.891 1.00 0.36 C ATOM 161 CD1 LEU A 25 -5.585 -5.364 -1.145 1.00 0.46 C ATOM 162 CD2 LEU A 25 -4.829 -6.320 -3.325 1.00 0.44 C ATOM 0 H LEU A 25 -1.807 -6.673 -0.650 1.00 0.23 H new ATOM 0 HA LEU A 25 -2.165 -6.108 -3.414 1.00 0.23 H new ATOM 0 HB2 LEU A 25 -3.034 -4.759 -0.843 1.00 0.26 H new ATOM 0 HB3 LEU A 25 -3.487 -4.151 -2.423 1.00 0.26 H new ATOM 0 HG LEU A 25 -4.156 -6.928 -1.395 1.00 0.36 H new ATOM 0 HD11 LEU A 25 -6.440 -6.040 -1.160 1.00 0.46 H new ATOM 0 HD12 LEU A 25 -5.292 -5.173 -0.113 1.00 0.46 H new ATOM 0 HD13 LEU A 25 -5.857 -4.424 -1.625 1.00 0.46 H new ATOM 0 HD21 LEU A 25 -5.687 -6.992 -3.320 1.00 0.44 H new ATOM 0 HD22 LEU A 25 -5.092 -5.399 -3.846 1.00 0.44 H new ATOM 0 HD23 LEU A 25 -3.995 -6.801 -3.836 1.00 0.44 H new ATOM 174 N ILE A 26 -0.180 -4.170 -1.676 1.00 0.21 N ATOM 175 CA ILE A 26 0.815 -3.113 -1.769 1.00 0.22 C ATOM 176 C ILE A 26 1.896 -3.469 -2.788 1.00 0.20 C ATOM 177 O ILE A 26 2.197 -2.677 -3.686 1.00 0.23 O ATOM 178 CB ILE A 26 1.457 -2.825 -0.395 1.00 0.22 C ATOM 179 CG1 ILE A 26 0.394 -2.314 0.584 1.00 0.26 C ATOM 180 CG2 ILE A 26 2.588 -1.815 -0.532 1.00 0.25 C ATOM 181 CD1 ILE A 26 0.916 -2.064 1.983 1.00 0.27 C ATOM 0 H ILE A 26 -0.229 -4.621 -0.763 1.00 0.21 H new ATOM 0 HA ILE A 26 0.302 -2.211 -2.104 1.00 0.22 H new ATOM 0 HB ILE A 26 1.876 -3.752 -0.004 1.00 0.22 H new ATOM 0 HG12 ILE A 26 -0.029 -1.388 0.194 1.00 0.26 H new ATOM 0 HG13 ILE A 26 -0.418 -3.040 0.634 1.00 0.26 H new ATOM 0 HG21 ILE A 26 3.027 -1.626 0.447 1.00 0.25 H new ATOM 0 HG22 ILE A 26 3.351 -2.212 -1.201 1.00 0.25 H new ATOM 0 HG23 ILE A 26 2.196 -0.883 -0.940 1.00 0.25 H new ATOM 0 HD11 ILE A 26 0.104 -1.704 2.615 1.00 0.27 H new ATOM 0 HD12 ILE A 26 1.313 -2.992 2.395 1.00 0.27 H new ATOM 0 HD13 ILE A 26 1.707 -1.315 1.948 1.00 0.27 H new ATOM 188 N VAL A 27 2.463 -4.666 -2.668 1.00 0.18 N ATOM 189 CA VAL A 27 3.485 -5.110 -3.609 1.00 0.20 C ATOM 190 C VAL A 27 2.875 -5.356 -4.987 1.00 0.22 C ATOM 191 O VAL A 27 3.534 -5.161 -6.003 1.00 0.24 O ATOM 192 CB VAL A 27 4.229 -6.380 -3.128 1.00 0.21 C ATOM 193 CG1 VAL A 27 4.954 -6.111 -1.819 1.00 0.21 C ATOM 194 CG2 VAL A 27 3.281 -7.562 -2.979 1.00 0.21 C ATOM 0 H VAL A 27 2.235 -5.339 -1.936 1.00 0.18 H new ATOM 0 HA VAL A 27 4.220 -4.307 -3.672 1.00 0.20 H new ATOM 0 HB VAL A 27 4.965 -6.639 -3.889 1.00 0.21 H new ATOM 0 HG11 VAL A 27 5.471 -7.015 -1.497 1.00 0.21 H new ATOM 0 HG12 VAL A 27 5.679 -5.310 -1.963 1.00 0.21 H new ATOM 0 HG13 VAL A 27 4.232 -5.815 -1.058 1.00 0.21 H new ATOM 0 HG21 VAL A 27 3.839 -8.435 -2.640 1.00 0.21 H new ATOM 0 HG22 VAL A 27 2.508 -7.319 -2.249 1.00 0.21 H new ATOM 0 HG23 VAL A 27 2.816 -7.779 -3.941 1.00 0.21 H new ATOM 198 N ASN A 28 1.609 -5.767 -5.009 1.00 0.26 N ATOM 199 CA ASN A 28 0.879 -5.957 -6.260 1.00 0.32 C ATOM 200 C ASN A 28 0.753 -4.638 -7.012 1.00 0.27 C ATOM 201 O ASN A 28 0.980 -4.576 -8.221 1.00 0.29 O ATOM 202 CB ASN A 28 -0.513 -6.537 -5.981 1.00 0.45 C ATOM 203 CG ASN A 28 -1.391 -6.588 -7.217 1.00 0.68 C ATOM 204 OD1 ASN A 28 -2.139 -5.651 -7.499 1.00 1.59 O ATOM 205 ND2 ASN A 28 -1.306 -7.680 -7.960 1.00 0.86 N ATOM 0 H ASN A 28 1.066 -5.975 -4.171 1.00 0.26 H new ATOM 0 HA ASN A 28 1.437 -6.659 -6.879 1.00 0.32 H new ATOM 0 HB2 ASN A 28 -0.407 -7.543 -5.575 1.00 0.45 H new ATOM 0 HB3 ASN A 28 -1.005 -5.935 -5.217 1.00 0.45 H new ATOM 0 HD21 ASN A 28 -1.873 -7.769 -8.803 1.00 0.86 H new ATOM 0 HD22 ASN A 28 -0.673 -8.433 -7.690 1.00 0.86 H new ATOM 212 N TYR A 29 0.404 -3.585 -6.282 1.00 0.25 N ATOM 213 CA TYR A 29 0.281 -2.256 -6.859 1.00 0.24 C ATOM 214 C TYR A 29 1.611 -1.801 -7.455 1.00 0.19 C ATOM 215 O TYR A 29 1.671 -1.393 -8.614 1.00 0.19 O ATOM 216 CB TYR A 29 -0.200 -1.258 -5.800 1.00 0.29 C ATOM 217 CG TYR A 29 -0.214 0.180 -6.271 1.00 0.32 C ATOM 218 CD1 TYR A 29 -0.972 0.569 -7.370 1.00 1.20 C ATOM 219 CD2 TYR A 29 0.537 1.148 -5.618 1.00 1.23 C ATOM 220 CE1 TYR A 29 -0.976 1.880 -7.805 1.00 1.22 C ATOM 221 CE2 TYR A 29 0.534 2.461 -6.043 1.00 1.25 C ATOM 222 CZ TYR A 29 -0.222 2.822 -7.138 1.00 0.43 C ATOM 223 OH TYR A 29 -0.222 4.131 -7.569 1.00 0.50 O ATOM 0 H TYR A 29 0.201 -3.629 -5.283 1.00 0.25 H new ATOM 0 HA TYR A 29 -0.457 -2.296 -7.661 1.00 0.24 H new ATOM 0 HB2 TYR A 29 -1.205 -1.536 -5.484 1.00 0.29 H new ATOM 0 HB3 TYR A 29 0.443 -1.336 -4.923 1.00 0.29 H new ATOM 0 HD1 TYR A 29 -1.567 -0.166 -7.892 1.00 1.20 H new ATOM 0 HD2 TYR A 29 1.134 0.869 -4.762 1.00 1.23 H new ATOM 0 HE1 TYR A 29 -1.567 2.166 -8.663 1.00 1.22 H new ATOM 0 HE2 TYR A 29 1.121 3.202 -5.521 1.00 1.25 H new ATOM 0 HH TYR A 29 0.156 4.705 -6.871 1.00 0.50 H new ATOM 233 N PHE A 30 2.677 -1.897 -6.669 1.00 0.16 N ATOM 234 CA PHE A 30 3.999 -1.495 -7.136 1.00 0.16 C ATOM 235 C PHE A 30 4.455 -2.376 -8.296 1.00 0.18 C ATOM 236 O PHE A 30 5.088 -1.894 -9.238 1.00 0.21 O ATOM 237 CB PHE A 30 5.023 -1.553 -6.001 1.00 0.19 C ATOM 238 CG PHE A 30 4.786 -0.561 -4.895 1.00 0.19 C ATOM 239 CD1 PHE A 30 4.356 0.726 -5.173 1.00 1.19 C ATOM 240 CD2 PHE A 30 5.005 -0.917 -3.574 1.00 1.18 C ATOM 241 CE1 PHE A 30 4.149 1.637 -4.158 1.00 1.22 C ATOM 242 CE2 PHE A 30 4.800 -0.008 -2.555 1.00 1.17 C ATOM 243 CZ PHE A 30 4.371 1.269 -2.848 1.00 0.25 C ATOM 0 H PHE A 30 2.653 -2.247 -5.711 1.00 0.16 H new ATOM 0 HA PHE A 30 3.928 -0.465 -7.485 1.00 0.16 H new ATOM 0 HB2 PHE A 30 5.021 -2.557 -5.578 1.00 0.19 H new ATOM 0 HB3 PHE A 30 6.017 -1.384 -6.416 1.00 0.19 H new ATOM 0 HD1 PHE A 30 4.181 1.020 -6.197 1.00 1.19 H new ATOM 0 HD2 PHE A 30 5.340 -1.916 -3.339 1.00 1.18 H new ATOM 0 HE1 PHE A 30 3.813 2.637 -4.389 1.00 1.22 H new ATOM 0 HE2 PHE A 30 4.976 -0.297 -1.529 1.00 1.17 H new ATOM 0 HZ PHE A 30 4.209 1.981 -2.052 1.00 0.25 H new ATOM 253 N SER A 31 4.126 -3.662 -8.223 1.00 0.21 N ATOM 254 CA SER A 31 4.451 -4.601 -9.287 1.00 0.27 C ATOM 255 C SER A 31 3.784 -4.171 -10.588 1.00 0.25 C ATOM 256 O SER A 31 4.418 -4.145 -11.640 1.00 0.27 O ATOM 257 CB SER A 31 4.004 -6.019 -8.907 1.00 0.35 C ATOM 258 OG SER A 31 4.366 -6.962 -9.903 1.00 1.15 O ATOM 0 H SER A 31 3.632 -4.078 -7.433 1.00 0.21 H new ATOM 0 HA SER A 31 5.532 -4.605 -9.429 1.00 0.27 H new ATOM 0 HB2 SER A 31 4.455 -6.301 -7.956 1.00 0.35 H new ATOM 0 HB3 SER A 31 2.923 -6.035 -8.764 1.00 0.35 H new ATOM 0 HG SER A 31 4.446 -7.851 -9.498 1.00 1.15 H new ATOM 264 N SER A 32 2.509 -3.813 -10.503 1.00 0.27 N ATOM 265 CA SER A 32 1.762 -3.359 -11.665 1.00 0.30 C ATOM 266 C SER A 32 2.383 -2.079 -12.228 1.00 0.28 C ATOM 267 O SER A 32 2.497 -1.915 -13.444 1.00 0.35 O ATOM 268 CB SER A 32 0.294 -3.123 -11.290 1.00 0.40 C ATOM 269 OG SER A 32 -0.493 -2.816 -12.430 1.00 0.99 O ATOM 0 H SER A 32 1.970 -3.829 -9.637 1.00 0.27 H new ATOM 0 HA SER A 32 1.805 -4.131 -12.434 1.00 0.30 H new ATOM 0 HB2 SER A 32 -0.105 -4.012 -10.801 1.00 0.40 H new ATOM 0 HB3 SER A 32 0.228 -2.306 -10.571 1.00 0.40 H new ATOM 0 HG SER A 32 -1.423 -2.673 -12.157 1.00 0.99 H new ATOM 275 N ILE A 33 2.802 -1.189 -11.333 1.00 0.24 N ATOM 276 CA ILE A 33 3.427 0.068 -11.728 1.00 0.26 C ATOM 277 C ILE A 33 4.670 -0.173 -12.582 1.00 0.26 C ATOM 278 O ILE A 33 4.810 0.400 -13.662 1.00 0.31 O ATOM 279 CB ILE A 33 3.823 0.920 -10.502 1.00 0.30 C ATOM 280 CG1 ILE A 33 2.585 1.374 -9.734 1.00 0.30 C ATOM 281 CG2 ILE A 33 4.646 2.124 -10.928 1.00 0.43 C ATOM 282 CD1 ILE A 33 2.911 2.266 -8.558 1.00 0.34 C ATOM 0 H ILE A 33 2.719 -1.317 -10.324 1.00 0.24 H new ATOM 0 HA ILE A 33 2.684 0.610 -12.313 1.00 0.26 H new ATOM 0 HB ILE A 33 4.430 0.299 -9.843 1.00 0.30 H new ATOM 0 HG12 ILE A 33 1.919 1.907 -10.413 1.00 0.30 H new ATOM 0 HG13 ILE A 33 2.044 0.497 -9.378 1.00 0.30 H new ATOM 0 HG21 ILE A 33 4.914 2.711 -10.049 1.00 0.43 H new ATOM 0 HG22 ILE A 33 5.553 1.786 -11.429 1.00 0.43 H new ATOM 0 HG23 ILE A 33 4.062 2.741 -11.611 1.00 0.43 H new ATOM 0 HD11 ILE A 33 1.989 2.555 -8.054 1.00 0.34 H new ATOM 0 HD12 ILE A 33 3.553 1.728 -7.860 1.00 0.34 H new ATOM 0 HD13 ILE A 33 3.426 3.159 -8.911 1.00 0.34 H new ATOM 289 N VAL A 34 5.565 -1.024 -12.099 1.00 0.24 N ATOM 290 CA VAL A 34 6.819 -1.278 -12.797 1.00 0.31 C ATOM 291 C VAL A 34 6.607 -2.198 -13.997 1.00 0.37 C ATOM 292 O VAL A 34 7.426 -2.239 -14.916 1.00 0.47 O ATOM 293 CB VAL A 34 7.886 -1.885 -11.857 1.00 0.34 C ATOM 294 CG1 VAL A 34 8.173 -0.941 -10.699 1.00 0.35 C ATOM 295 CG2 VAL A 34 7.453 -3.248 -11.338 1.00 0.33 C ATOM 0 H VAL A 34 5.448 -1.548 -11.232 1.00 0.24 H new ATOM 0 HA VAL A 34 7.182 -0.313 -13.151 1.00 0.31 H new ATOM 0 HB VAL A 34 8.801 -2.021 -12.433 1.00 0.34 H new ATOM 0 HG11 VAL A 34 8.926 -1.383 -10.047 1.00 0.35 H new ATOM 0 HG12 VAL A 34 8.541 0.009 -11.087 1.00 0.35 H new ATOM 0 HG13 VAL A 34 7.257 -0.771 -10.133 1.00 0.35 H new ATOM 0 HG21 VAL A 34 8.224 -3.649 -10.680 1.00 0.33 H new ATOM 0 HG22 VAL A 34 6.520 -3.147 -10.784 1.00 0.33 H new ATOM 0 HG23 VAL A 34 7.304 -3.927 -12.178 1.00 0.33 H new ATOM 299 N GLU A 35 5.497 -2.923 -13.990 1.00 0.35 N ATOM 300 CA GLU A 35 5.178 -3.849 -15.064 1.00 0.46 C ATOM 301 C GLU A 35 4.774 -3.098 -16.327 1.00 0.50 C ATOM 302 O GLU A 35 5.389 -3.266 -17.379 1.00 0.61 O ATOM 303 CB GLU A 35 4.059 -4.789 -14.624 1.00 0.50 C ATOM 304 CG GLU A 35 3.688 -5.832 -15.659 1.00 0.70 C ATOM 305 CD GLU A 35 2.660 -6.807 -15.137 1.00 1.49 C ATOM 306 OE1 GLU A 35 1.452 -6.530 -15.257 1.00 2.19 O ATOM 307 OE2 GLU A 35 3.059 -7.855 -14.588 1.00 2.22 O ATOM 0 H GLU A 35 4.799 -2.886 -13.247 1.00 0.35 H new ATOM 0 HA GLU A 35 6.068 -4.436 -15.291 1.00 0.46 H new ATOM 0 HB2 GLU A 35 4.362 -5.294 -13.707 1.00 0.50 H new ATOM 0 HB3 GLU A 35 3.175 -4.198 -14.385 1.00 0.50 H new ATOM 0 HG2 GLU A 35 3.299 -5.337 -16.549 1.00 0.70 H new ATOM 0 HG3 GLU A 35 4.583 -6.376 -15.962 1.00 0.70 H new ATOM 314 N LYS A 36 3.757 -2.254 -16.217 1.00 0.47 N ATOM 315 CA LYS A 36 3.249 -1.526 -17.375 1.00 0.54 C ATOM 316 C LYS A 36 3.919 -0.159 -17.510 1.00 0.50 C ATOM 317 O LYS A 36 3.578 0.630 -18.393 1.00 0.60 O ATOM 318 CB LYS A 36 1.729 -1.367 -17.284 1.00 0.67 C ATOM 319 CG LYS A 36 1.263 -0.675 -16.014 1.00 0.71 C ATOM 320 CD LYS A 36 -0.254 -0.622 -15.919 1.00 0.97 C ATOM 321 CE LYS A 36 -0.861 0.255 -17.002 1.00 1.42 C ATOM 322 NZ LYS A 36 -2.344 0.271 -16.930 1.00 2.08 N ATOM 0 H LYS A 36 3.269 -2.056 -15.343 1.00 0.47 H new ATOM 0 HA LYS A 36 3.489 -2.107 -18.265 1.00 0.54 H new ATOM 0 HB2 LYS A 36 1.380 -0.799 -18.146 1.00 0.67 H new ATOM 0 HB3 LYS A 36 1.265 -2.352 -17.342 1.00 0.67 H new ATOM 0 HG2 LYS A 36 1.663 -1.201 -15.147 1.00 0.71 H new ATOM 0 HG3 LYS A 36 1.664 0.338 -15.985 1.00 0.71 H new ATOM 0 HD2 LYS A 36 -0.658 -1.631 -16.001 1.00 0.97 H new ATOM 0 HD3 LYS A 36 -0.543 -0.241 -14.939 1.00 0.97 H new ATOM 0 HE2 LYS A 36 -0.481 1.272 -16.902 1.00 1.42 H new ATOM 0 HE3 LYS A 36 -0.548 -0.107 -17.981 1.00 1.42 H new ATOM 0 HZ1 LYS A 36 -2.722 0.879 -17.684 1.00 2.08 H new ATOM 0 HZ2 LYS A 36 -2.708 -0.696 -17.050 1.00 2.08 H new ATOM 0 HZ3 LYS A 36 -2.643 0.641 -16.005 1.00 2.08 H new ATOM 336 N LYS A 37 4.871 0.100 -16.614 1.00 0.47 N ATOM 337 CA LYS A 37 5.643 1.341 -16.601 1.00 0.54 C ATOM 338 C LYS A 37 4.746 2.551 -16.335 1.00 0.59 C ATOM 339 O LYS A 37 4.382 3.295 -17.243 1.00 0.75 O ATOM 340 CB LYS A 37 6.424 1.516 -17.909 1.00 0.71 C ATOM 341 CG LYS A 37 7.338 2.733 -17.922 1.00 1.18 C ATOM 342 CD LYS A 37 8.212 2.773 -19.168 1.00 1.41 C ATOM 343 CE LYS A 37 9.493 1.959 -19.007 1.00 1.98 C ATOM 344 NZ LYS A 37 9.239 0.511 -18.777 1.00 2.60 N ATOM 0 H LYS A 37 5.130 -0.550 -15.872 1.00 0.47 H new ATOM 0 HA LYS A 37 6.362 1.274 -15.784 1.00 0.54 H new ATOM 0 HB2 LYS A 37 7.022 0.622 -18.086 1.00 0.71 H new ATOM 0 HB3 LYS A 37 5.717 1.595 -18.735 1.00 0.71 H new ATOM 0 HG2 LYS A 37 6.736 3.640 -17.872 1.00 1.18 H new ATOM 0 HG3 LYS A 37 7.971 2.721 -17.035 1.00 1.18 H new ATOM 0 HD2 LYS A 37 7.646 2.391 -20.018 1.00 1.41 H new ATOM 0 HD3 LYS A 37 8.468 3.808 -19.395 1.00 1.41 H new ATOM 0 HE2 LYS A 37 10.106 2.077 -19.901 1.00 1.98 H new ATOM 0 HE3 LYS A 37 10.068 2.358 -18.171 1.00 1.98 H new ATOM 0 HZ1 LYS A 37 10.118 -0.024 -18.928 1.00 2.60 H new ATOM 0 HZ2 LYS A 37 8.909 0.367 -17.801 1.00 2.60 H new ATOM 0 HZ3 LYS A 37 8.512 0.176 -19.441 1.00 2.60 H new ATOM 358 N GLU A 38 4.388 2.728 -15.075 1.00 0.54 N ATOM 359 CA GLU A 38 3.591 3.870 -14.646 1.00 0.68 C ATOM 360 C GLU A 38 4.447 4.820 -13.830 1.00 0.69 C ATOM 361 O GLU A 38 3.971 5.841 -13.334 1.00 1.03 O ATOM 362 CB GLU A 38 2.394 3.405 -13.817 1.00 0.79 C ATOM 363 CG GLU A 38 1.258 2.849 -14.652 1.00 1.36 C ATOM 364 CD GLU A 38 0.590 3.918 -15.484 1.00 1.41 C ATOM 365 OE1 GLU A 38 -0.231 4.672 -14.931 1.00 2.12 O ATOM 366 OE2 GLU A 38 0.886 4.016 -16.691 1.00 1.86 O ATOM 0 H GLU A 38 4.639 2.088 -14.321 1.00 0.54 H new ATOM 0 HA GLU A 38 3.222 4.389 -15.530 1.00 0.68 H new ATOM 0 HB2 GLU A 38 2.725 2.641 -13.113 1.00 0.79 H new ATOM 0 HB3 GLU A 38 2.024 4.243 -13.227 1.00 0.79 H new ATOM 0 HG2 GLU A 38 1.639 2.066 -15.307 1.00 1.36 H new ATOM 0 HG3 GLU A 38 0.520 2.386 -13.997 1.00 1.36 H new ATOM 373 N ILE A 39 5.712 4.468 -13.698 1.00 0.42 N ATOM 374 CA ILE A 39 6.645 5.238 -12.898 1.00 0.43 C ATOM 375 C ILE A 39 7.953 5.432 -13.666 1.00 0.48 C ATOM 376 O ILE A 39 8.159 4.805 -14.708 1.00 0.51 O ATOM 377 CB ILE A 39 6.901 4.522 -11.554 1.00 0.38 C ATOM 378 CG1 ILE A 39 7.465 5.485 -10.513 1.00 0.45 C ATOM 379 CG2 ILE A 39 7.837 3.335 -11.747 1.00 0.36 C ATOM 380 CD1 ILE A 39 7.533 4.888 -9.126 1.00 0.47 C ATOM 0 H ILE A 39 6.120 3.644 -14.140 1.00 0.42 H new ATOM 0 HA ILE A 39 6.218 6.219 -12.691 1.00 0.43 H new ATOM 0 HB ILE A 39 5.944 4.153 -11.186 1.00 0.38 H new ATOM 0 HG12 ILE A 39 8.465 5.795 -10.818 1.00 0.45 H new ATOM 0 HG13 ILE A 39 6.847 6.383 -10.485 1.00 0.45 H new ATOM 0 HG21 ILE A 39 8.005 2.844 -10.788 1.00 0.36 H new ATOM 0 HG22 ILE A 39 7.388 2.627 -12.444 1.00 0.36 H new ATOM 0 HG23 ILE A 39 8.789 3.684 -12.147 1.00 0.36 H new ATOM 0 HD11 ILE A 39 7.943 5.623 -8.433 1.00 0.47 H new ATOM 0 HD12 ILE A 39 6.532 4.603 -8.803 1.00 0.47 H new ATOM 0 HD13 ILE A 39 8.174 4.006 -9.140 1.00 0.47 H new ATOM 387 N SER A 40 8.816 6.305 -13.167 1.00 0.54 N ATOM 388 CA SER A 40 10.086 6.586 -13.817 1.00 0.62 C ATOM 389 C SER A 40 11.059 5.419 -13.656 1.00 0.53 C ATOM 390 O SER A 40 10.838 4.535 -12.826 1.00 0.48 O ATOM 391 CB SER A 40 10.691 7.858 -13.227 1.00 0.76 C ATOM 392 OG SER A 40 10.806 7.752 -11.818 1.00 1.82 O ATOM 0 H SER A 40 8.658 6.833 -12.309 1.00 0.54 H new ATOM 0 HA SER A 40 9.905 6.727 -14.883 1.00 0.62 H new ATOM 0 HB2 SER A 40 11.673 8.036 -13.665 1.00 0.76 H new ATOM 0 HB3 SER A 40 10.068 8.715 -13.482 1.00 0.76 H new ATOM 0 HG SER A 40 11.197 8.576 -11.459 1.00 1.82 H new ATOM 398 N GLU A 41 12.125 5.413 -14.446 1.00 0.59 N ATOM 399 CA GLU A 41 13.129 4.360 -14.366 1.00 0.60 C ATOM 400 C GLU A 41 13.694 4.267 -12.950 1.00 0.49 C ATOM 401 O GLU A 41 13.783 3.180 -12.371 1.00 0.46 O ATOM 402 CB GLU A 41 14.270 4.607 -15.361 1.00 0.78 C ATOM 403 CG GLU A 41 13.835 4.678 -16.822 1.00 1.07 C ATOM 404 CD GLU A 41 13.143 5.979 -17.176 1.00 1.43 C ATOM 405 OE1 GLU A 41 13.842 6.999 -17.349 1.00 1.99 O ATOM 406 OE2 GLU A 41 11.899 5.995 -17.271 1.00 2.19 O ATOM 0 H GLU A 41 12.317 6.126 -15.150 1.00 0.59 H new ATOM 0 HA GLU A 41 12.643 3.418 -14.622 1.00 0.60 H new ATOM 0 HB2 GLU A 41 14.768 5.540 -15.098 1.00 0.78 H new ATOM 0 HB3 GLU A 41 15.007 3.811 -15.253 1.00 0.78 H new ATOM 0 HG2 GLU A 41 14.709 4.553 -17.461 1.00 1.07 H new ATOM 0 HG3 GLU A 41 13.163 3.847 -17.035 1.00 1.07 H new ATOM 413 N ASP A 42 14.052 5.419 -12.390 1.00 0.52 N ATOM 414 CA ASP A 42 14.601 5.482 -11.038 1.00 0.52 C ATOM 415 C ASP A 42 13.564 5.058 -10.007 1.00 0.43 C ATOM 416 O ASP A 42 13.875 4.333 -9.062 1.00 0.47 O ATOM 417 CB ASP A 42 15.096 6.894 -10.724 1.00 0.62 C ATOM 418 CG ASP A 42 15.597 7.030 -9.299 1.00 1.50 C ATOM 419 OD1 ASP A 42 16.709 6.545 -9.002 1.00 2.21 O ATOM 420 OD2 ASP A 42 14.886 7.629 -8.469 1.00 2.30 O ATOM 0 H ASP A 42 13.972 6.324 -12.853 1.00 0.52 H new ATOM 0 HA ASP A 42 15.443 4.791 -10.989 1.00 0.52 H new ATOM 0 HB2 ASP A 42 15.898 7.156 -11.414 1.00 0.62 H new ATOM 0 HB3 ASP A 42 14.287 7.605 -10.891 1.00 0.62 H new ATOM 425 N GLY A 43 12.328 5.507 -10.201 1.00 0.39 N ATOM 426 CA GLY A 43 11.252 5.144 -9.298 1.00 0.37 C ATOM 427 C GLY A 43 10.977 3.652 -9.304 1.00 0.34 C ATOM 428 O GLY A 43 10.664 3.064 -8.273 1.00 0.35 O ATOM 0 H GLY A 43 12.052 6.118 -10.970 1.00 0.39 H new ATOM 0 HA2 GLY A 43 11.507 5.461 -8.287 1.00 0.37 H new ATOM 0 HA3 GLY A 43 10.346 5.680 -9.581 1.00 0.37 H new ATOM 432 N ALA A 44 11.097 3.039 -10.473 1.00 0.33 N ATOM 433 CA ALA A 44 10.908 1.603 -10.599 1.00 0.33 C ATOM 434 C ALA A 44 12.038 0.853 -9.904 1.00 0.32 C ATOM 435 O ALA A 44 11.833 -0.219 -9.334 1.00 0.31 O ATOM 436 CB ALA A 44 10.830 1.206 -12.065 1.00 0.38 C ATOM 0 H ALA A 44 11.324 3.514 -11.346 1.00 0.33 H new ATOM 0 HA ALA A 44 9.968 1.334 -10.116 1.00 0.33 H new ATOM 0 HB1 ALA A 44 10.688 0.128 -12.143 1.00 0.38 H new ATOM 0 HB2 ALA A 44 9.991 1.717 -12.536 1.00 0.38 H new ATOM 0 HB3 ALA A 44 11.755 1.488 -12.568 1.00 0.38 H new ATOM 442 N ASP A 45 13.228 1.441 -9.952 1.00 0.36 N ATOM 443 CA ASP A 45 14.411 0.857 -9.334 1.00 0.38 C ATOM 444 C ASP A 45 14.301 0.870 -7.814 1.00 0.36 C ATOM 445 O ASP A 45 14.586 -0.128 -7.151 1.00 0.37 O ATOM 446 CB ASP A 45 15.662 1.624 -9.772 1.00 0.48 C ATOM 447 CG ASP A 45 16.912 1.169 -9.048 1.00 1.11 C ATOM 448 OD1 ASP A 45 17.493 0.138 -9.446 1.00 1.84 O ATOM 449 OD2 ASP A 45 17.326 1.845 -8.084 1.00 1.81 O ATOM 0 H ASP A 45 13.399 2.332 -10.418 1.00 0.36 H new ATOM 0 HA ASP A 45 14.488 -0.180 -9.661 1.00 0.38 H new ATOM 0 HB2 ASP A 45 15.803 1.498 -10.845 1.00 0.48 H new ATOM 0 HB3 ASP A 45 15.511 2.689 -9.593 1.00 0.48 H new ATOM 454 N SER A 46 13.874 1.998 -7.268 1.00 0.38 N ATOM 455 CA SER A 46 13.737 2.138 -5.829 1.00 0.41 C ATOM 456 C SER A 46 12.611 1.249 -5.304 1.00 0.36 C ATOM 457 O SER A 46 12.699 0.703 -4.203 1.00 0.39 O ATOM 458 CB SER A 46 13.497 3.602 -5.466 1.00 0.51 C ATOM 459 OG SER A 46 12.476 4.165 -6.266 1.00 0.98 O ATOM 0 H SER A 46 13.617 2.829 -7.801 1.00 0.38 H new ATOM 0 HA SER A 46 14.663 1.814 -5.355 1.00 0.41 H new ATOM 0 HB2 SER A 46 13.222 3.679 -4.414 1.00 0.51 H new ATOM 0 HB3 SER A 46 14.419 4.168 -5.597 1.00 0.51 H new ATOM 0 HG SER A 46 11.998 3.451 -6.736 1.00 0.98 H new ATOM 465 N LEU A 47 11.561 1.088 -6.106 1.00 0.32 N ATOM 466 CA LEU A 47 10.467 0.189 -5.755 1.00 0.30 C ATOM 467 C LEU A 47 10.956 -1.249 -5.628 1.00 0.27 C ATOM 468 O LEU A 47 10.400 -2.028 -4.859 1.00 0.29 O ATOM 469 CB LEU A 47 9.339 0.262 -6.787 1.00 0.30 C ATOM 470 CG LEU A 47 8.457 1.509 -6.706 1.00 0.35 C ATOM 471 CD1 LEU A 47 7.384 1.472 -7.782 1.00 0.39 C ATOM 472 CD2 LEU A 47 7.823 1.619 -5.327 1.00 0.41 C ATOM 0 H LEU A 47 11.446 1.567 -6.999 1.00 0.32 H new ATOM 0 HA LEU A 47 10.079 0.514 -4.789 1.00 0.30 H new ATOM 0 HB2 LEU A 47 9.777 0.212 -7.784 1.00 0.30 H new ATOM 0 HB3 LEU A 47 8.706 -0.618 -6.672 1.00 0.30 H new ATOM 0 HG LEU A 47 9.081 2.387 -6.872 1.00 0.35 H new ATOM 0 HD11 LEU A 47 6.765 2.367 -7.710 1.00 0.39 H new ATOM 0 HD12 LEU A 47 7.855 1.435 -8.764 1.00 0.39 H new ATOM 0 HD13 LEU A 47 6.761 0.588 -7.644 1.00 0.39 H new ATOM 0 HD21 LEU A 47 7.198 2.511 -5.284 1.00 0.41 H new ATOM 0 HD22 LEU A 47 7.211 0.738 -5.137 1.00 0.41 H new ATOM 0 HD23 LEU A 47 8.605 1.687 -4.571 1.00 0.41 H new ATOM 484 N ASN A 48 11.999 -1.592 -6.373 1.00 0.26 N ATOM 485 CA ASN A 48 12.558 -2.940 -6.330 1.00 0.26 C ATOM 486 C ASN A 48 13.150 -3.245 -4.959 1.00 0.28 C ATOM 487 O ASN A 48 12.741 -4.205 -4.304 1.00 0.32 O ATOM 488 CB ASN A 48 13.623 -3.125 -7.413 1.00 0.28 C ATOM 489 CG ASN A 48 13.038 -3.274 -8.806 1.00 0.33 C ATOM 490 OD1 ASN A 48 13.611 -2.798 -9.783 1.00 0.48 O ATOM 491 ND2 ASN A 48 11.912 -3.965 -8.913 1.00 0.40 N ATOM 0 H ASN A 48 12.475 -0.957 -7.014 1.00 0.26 H new ATOM 0 HA ASN A 48 11.743 -3.639 -6.518 1.00 0.26 H new ATOM 0 HB2 ASN A 48 14.299 -2.270 -7.399 1.00 0.28 H new ATOM 0 HB3 ASN A 48 14.220 -4.007 -7.180 1.00 0.28 H new ATOM 0 HD21 ASN A 48 11.492 -4.117 -9.830 1.00 0.40 H new ATOM 0 HD22 ASN A 48 11.465 -4.345 -8.078 1.00 0.40 H new ATOM 498 N VAL A 49 14.101 -2.423 -4.515 1.00 0.27 N ATOM 499 CA VAL A 49 14.724 -2.627 -3.206 1.00 0.29 C ATOM 500 C VAL A 49 13.689 -2.472 -2.093 1.00 0.30 C ATOM 501 O VAL A 49 13.740 -3.165 -1.074 1.00 0.32 O ATOM 502 CB VAL A 49 15.920 -1.667 -2.963 1.00 0.32 C ATOM 503 CG1 VAL A 49 15.489 -0.210 -3.022 1.00 0.34 C ATOM 504 CG2 VAL A 49 16.594 -1.967 -1.630 1.00 0.36 C ATOM 0 H VAL A 49 14.454 -1.619 -5.034 1.00 0.27 H new ATOM 0 HA VAL A 49 15.118 -3.643 -3.195 1.00 0.29 H new ATOM 0 HB VAL A 49 16.640 -1.836 -3.764 1.00 0.32 H new ATOM 0 HG11 VAL A 49 16.352 0.432 -2.847 1.00 0.34 H new ATOM 0 HG12 VAL A 49 15.069 0.006 -4.004 1.00 0.34 H new ATOM 0 HG13 VAL A 49 14.736 -0.022 -2.256 1.00 0.34 H new ATOM 0 HG21 VAL A 49 17.429 -1.282 -1.482 1.00 0.36 H new ATOM 0 HG22 VAL A 49 15.874 -1.841 -0.822 1.00 0.36 H new ATOM 0 HG23 VAL A 49 16.963 -2.993 -1.631 1.00 0.36 H new ATOM 508 N ALA A 50 12.730 -1.579 -2.309 1.00 0.30 N ATOM 509 CA ALA A 50 11.647 -1.378 -1.363 1.00 0.34 C ATOM 510 C ALA A 50 10.788 -2.630 -1.256 1.00 0.34 C ATOM 511 O ALA A 50 10.355 -3.005 -0.171 1.00 0.37 O ATOM 512 CB ALA A 50 10.793 -0.190 -1.774 1.00 0.37 C ATOM 0 H ALA A 50 12.684 -0.982 -3.135 1.00 0.30 H new ATOM 0 HA ALA A 50 12.084 -1.172 -0.386 1.00 0.34 H new ATOM 0 HB1 ALA A 50 9.987 -0.055 -1.053 1.00 0.37 H new ATOM 0 HB2 ALA A 50 11.409 0.709 -1.802 1.00 0.37 H new ATOM 0 HB3 ALA A 50 10.370 -0.371 -2.762 1.00 0.37 H new ATOM 518 N MET A 51 10.565 -3.282 -2.388 1.00 0.34 N ATOM 519 CA MET A 51 9.719 -4.465 -2.442 1.00 0.39 C ATOM 520 C MET A 51 10.378 -5.634 -1.732 1.00 0.31 C ATOM 521 O MET A 51 9.700 -6.436 -1.084 1.00 0.30 O ATOM 522 CB MET A 51 9.412 -4.827 -3.889 1.00 0.52 C ATOM 523 CG MET A 51 8.304 -5.853 -4.038 1.00 0.62 C ATOM 524 SD MET A 51 7.566 -5.810 -5.677 1.00 0.65 S ATOM 525 CE MET A 51 7.207 -4.060 -5.805 1.00 0.41 C ATOM 0 H MET A 51 10.961 -3.009 -3.287 1.00 0.34 H new ATOM 0 HA MET A 51 8.783 -4.241 -1.930 1.00 0.39 H new ATOM 0 HB2 MET A 51 9.133 -3.922 -4.429 1.00 0.52 H new ATOM 0 HB3 MET A 51 10.317 -5.212 -4.358 1.00 0.52 H new ATOM 0 HG2 MET A 51 8.703 -6.849 -3.846 1.00 0.62 H new ATOM 0 HG3 MET A 51 7.535 -5.668 -3.288 1.00 0.62 H new ATOM 0 HE1 MET A 51 6.399 -3.906 -6.520 1.00 0.41 H new ATOM 0 HE2 MET A 51 6.907 -3.678 -4.829 1.00 0.41 H new ATOM 0 HE3 MET A 51 8.097 -3.530 -6.144 1.00 0.41 H new ATOM 535 N ASP A 52 11.697 -5.726 -1.851 1.00 0.31 N ATOM 536 CA ASP A 52 12.454 -6.721 -1.101 1.00 0.32 C ATOM 537 C ASP A 52 12.224 -6.504 0.383 1.00 0.28 C ATOM 538 O ASP A 52 12.038 -7.454 1.144 1.00 0.30 O ATOM 539 CB ASP A 52 13.954 -6.635 -1.399 1.00 0.42 C ATOM 540 CG ASP A 52 14.308 -7.038 -2.814 1.00 1.16 C ATOM 541 OD1 ASP A 52 13.774 -8.053 -3.305 1.00 1.99 O ATOM 542 OD2 ASP A 52 15.145 -6.353 -3.437 1.00 1.84 O ATOM 0 H ASP A 52 12.261 -5.128 -2.455 1.00 0.31 H new ATOM 0 HA ASP A 52 12.108 -7.710 -1.403 1.00 0.32 H new ATOM 0 HB2 ASP A 52 14.294 -5.614 -1.224 1.00 0.42 H new ATOM 0 HB3 ASP A 52 14.493 -7.275 -0.701 1.00 0.42 H new ATOM 547 N CYS A 53 12.218 -5.238 0.774 1.00 0.27 N ATOM 548 CA CYS A 53 11.967 -4.853 2.151 1.00 0.27 C ATOM 549 C CYS A 53 10.544 -5.215 2.569 1.00 0.29 C ATOM 550 O CYS A 53 10.352 -5.893 3.571 1.00 0.36 O ATOM 551 CB CYS A 53 12.204 -3.354 2.319 1.00 0.36 C ATOM 552 SG CYS A 53 13.884 -2.830 1.909 1.00 1.05 S ATOM 0 H CYS A 53 12.387 -4.452 0.146 1.00 0.27 H new ATOM 0 HA CYS A 53 12.656 -5.400 2.795 1.00 0.27 H new ATOM 0 HB2 CYS A 53 11.500 -2.812 1.688 1.00 0.36 H new ATOM 0 HB3 CYS A 53 11.988 -3.075 3.350 1.00 0.36 H new ATOM 0 HG CYS A 53 14.051 -2.877 0.621 1.00 1.05 H new ATOM 558 N ILE A 54 9.553 -4.781 1.783 1.00 0.26 N ATOM 559 CA ILE A 54 8.143 -5.049 2.088 1.00 0.29 C ATOM 560 C ILE A 54 7.913 -6.540 2.320 1.00 0.30 C ATOM 561 O ILE A 54 7.375 -6.949 3.349 1.00 0.33 O ATOM 562 CB ILE A 54 7.198 -4.593 0.948 1.00 0.29 C ATOM 563 CG1 ILE A 54 7.454 -3.132 0.564 1.00 0.31 C ATOM 564 CG2 ILE A 54 5.743 -4.775 1.368 1.00 0.33 C ATOM 565 CD1 ILE A 54 6.707 -2.687 -0.682 1.00 0.34 C ATOM 0 H ILE A 54 9.701 -4.242 0.930 1.00 0.26 H new ATOM 0 HA ILE A 54 7.915 -4.480 2.989 1.00 0.29 H new ATOM 0 HB ILE A 54 7.401 -5.213 0.075 1.00 0.29 H new ATOM 0 HG12 ILE A 54 7.166 -2.491 1.397 1.00 0.31 H new ATOM 0 HG13 ILE A 54 8.523 -2.989 0.406 1.00 0.31 H new ATOM 0 HG21 ILE A 54 5.088 -4.451 0.559 1.00 0.33 H new ATOM 0 HG22 ILE A 54 5.556 -5.826 1.588 1.00 0.33 H new ATOM 0 HG23 ILE A 54 5.544 -4.178 2.258 1.00 0.33 H new ATOM 0 HD11 ILE A 54 6.938 -1.642 -0.891 1.00 0.34 H new ATOM 0 HD12 ILE A 54 7.012 -3.302 -1.528 1.00 0.34 H new ATOM 0 HD13 ILE A 54 5.634 -2.796 -0.522 1.00 0.34 H new ATOM 572 N SER A 55 8.350 -7.341 1.360 1.00 0.30 N ATOM 573 CA SER A 55 8.152 -8.780 1.407 1.00 0.36 C ATOM 574 C SER A 55 8.835 -9.395 2.629 1.00 0.38 C ATOM 575 O SER A 55 8.215 -10.139 3.391 1.00 0.41 O ATOM 576 CB SER A 55 8.690 -9.410 0.123 1.00 0.40 C ATOM 577 OG SER A 55 8.146 -8.767 -1.019 1.00 0.80 O ATOM 0 H SER A 55 8.848 -7.014 0.532 1.00 0.30 H new ATOM 0 HA SER A 55 7.084 -8.981 1.491 1.00 0.36 H new ATOM 0 HB2 SER A 55 9.777 -9.336 0.104 1.00 0.40 H new ATOM 0 HB3 SER A 55 8.442 -10.471 0.101 1.00 0.40 H new ATOM 0 HG SER A 55 8.638 -7.938 -1.193 1.00 0.80 H new ATOM 583 N GLU A 56 10.101 -9.047 2.832 1.00 0.39 N ATOM 584 CA GLU A 56 10.894 -9.623 3.913 1.00 0.48 C ATOM 585 C GLU A 56 10.401 -9.146 5.277 1.00 0.43 C ATOM 586 O GLU A 56 10.445 -9.893 6.258 1.00 0.46 O ATOM 587 CB GLU A 56 12.363 -9.251 3.727 1.00 0.60 C ATOM 588 CG GLU A 56 13.301 -9.947 4.695 1.00 0.83 C ATOM 589 CD GLU A 56 14.737 -9.522 4.498 1.00 1.81 C ATOM 590 OE1 GLU A 56 15.428 -10.114 3.643 1.00 2.66 O ATOM 591 OE2 GLU A 56 15.181 -8.587 5.195 1.00 2.38 O ATOM 0 H GLU A 56 10.602 -8.367 2.260 1.00 0.39 H new ATOM 0 HA GLU A 56 10.785 -10.707 3.878 1.00 0.48 H new ATOM 0 HB2 GLU A 56 12.663 -9.494 2.708 1.00 0.60 H new ATOM 0 HB3 GLU A 56 12.472 -8.173 3.843 1.00 0.60 H new ATOM 0 HG2 GLU A 56 12.995 -9.727 5.718 1.00 0.83 H new ATOM 0 HG3 GLU A 56 13.221 -11.026 4.564 1.00 0.83 H new ATOM 598 N ALA A 57 9.931 -7.907 5.332 1.00 0.39 N ATOM 599 CA ALA A 57 9.441 -7.320 6.572 1.00 0.39 C ATOM 600 C ALA A 57 8.210 -8.058 7.084 1.00 0.33 C ATOM 601 O ALA A 57 8.078 -8.301 8.283 1.00 0.39 O ATOM 602 CB ALA A 57 9.130 -5.844 6.371 1.00 0.42 C ATOM 0 H ALA A 57 9.879 -7.285 4.525 1.00 0.39 H new ATOM 0 HA ALA A 57 10.225 -7.416 7.323 1.00 0.39 H new ATOM 0 HB1 ALA A 57 8.765 -5.419 7.306 1.00 0.42 H new ATOM 0 HB2 ALA A 57 10.035 -5.320 6.063 1.00 0.42 H new ATOM 0 HB3 ALA A 57 8.367 -5.735 5.600 1.00 0.42 H new ATOM 608 N PHE A 58 7.317 -8.417 6.171 1.00 0.29 N ATOM 609 CA PHE A 58 6.103 -9.136 6.536 1.00 0.28 C ATOM 610 C PHE A 58 6.353 -10.638 6.600 1.00 0.30 C ATOM 611 O PHE A 58 5.661 -11.365 7.316 1.00 0.38 O ATOM 612 CB PHE A 58 4.977 -8.829 5.552 1.00 0.26 C ATOM 613 CG PHE A 58 4.384 -7.457 5.715 1.00 0.25 C ATOM 614 CD1 PHE A 58 5.058 -6.336 5.266 1.00 1.24 C ATOM 615 CD2 PHE A 58 3.148 -7.295 6.318 1.00 1.18 C ATOM 616 CE1 PHE A 58 4.513 -5.076 5.414 1.00 1.22 C ATOM 617 CE2 PHE A 58 2.596 -6.037 6.469 1.00 1.22 C ATOM 618 CZ PHE A 58 3.280 -4.927 6.016 1.00 0.28 C ATOM 0 H PHE A 58 7.410 -8.223 5.174 1.00 0.29 H new ATOM 0 HA PHE A 58 5.802 -8.798 7.527 1.00 0.28 H new ATOM 0 HB2 PHE A 58 5.358 -8.931 4.536 1.00 0.26 H new ATOM 0 HB3 PHE A 58 4.189 -9.572 5.674 1.00 0.26 H new ATOM 0 HD1 PHE A 58 6.023 -6.448 4.794 1.00 1.24 H new ATOM 0 HD2 PHE A 58 2.610 -8.161 6.674 1.00 1.18 H new ATOM 0 HE1 PHE A 58 5.050 -4.209 5.059 1.00 1.22 H new ATOM 0 HE2 PHE A 58 1.631 -5.923 6.941 1.00 1.22 H new ATOM 0 HZ PHE A 58 2.851 -3.943 6.133 1.00 0.28 H new ATOM 628 N GLY A 59 7.338 -11.100 5.840 1.00 0.34 N ATOM 629 CA GLY A 59 7.728 -12.494 5.898 1.00 0.39 C ATOM 630 C GLY A 59 7.162 -13.319 4.760 1.00 0.38 C ATOM 631 O GLY A 59 6.789 -14.477 4.956 1.00 0.43 O ATOM 0 H GLY A 59 7.874 -10.532 5.184 1.00 0.34 H new ATOM 0 HA2 GLY A 59 8.816 -12.561 5.881 1.00 0.39 H new ATOM 0 HA3 GLY A 59 7.397 -12.918 6.846 1.00 0.39 H new ATOM 635 N PHE A 60 7.108 -12.738 3.570 1.00 0.35 N ATOM 636 CA PHE A 60 6.635 -13.455 2.392 1.00 0.39 C ATOM 637 C PHE A 60 7.495 -13.092 1.190 1.00 0.40 C ATOM 638 O PHE A 60 8.362 -12.227 1.281 1.00 0.42 O ATOM 639 CB PHE A 60 5.156 -13.143 2.107 1.00 0.40 C ATOM 640 CG PHE A 60 4.892 -11.756 1.581 1.00 0.31 C ATOM 641 CD1 PHE A 60 4.773 -10.679 2.443 1.00 1.22 C ATOM 642 CD2 PHE A 60 4.750 -11.536 0.218 1.00 1.19 C ATOM 643 CE1 PHE A 60 4.520 -9.410 1.956 1.00 1.20 C ATOM 644 CE2 PHE A 60 4.500 -10.269 -0.272 1.00 1.22 C ATOM 645 CZ PHE A 60 4.385 -9.205 0.598 1.00 0.33 C ATOM 0 H PHE A 60 7.386 -11.772 3.394 1.00 0.35 H new ATOM 0 HA PHE A 60 6.718 -14.525 2.584 1.00 0.39 H new ATOM 0 HB2 PHE A 60 4.779 -13.868 1.385 1.00 0.40 H new ATOM 0 HB3 PHE A 60 4.586 -13.282 3.026 1.00 0.40 H new ATOM 0 HD1 PHE A 60 4.879 -10.832 3.507 1.00 1.22 H new ATOM 0 HD2 PHE A 60 4.836 -12.366 -0.468 1.00 1.19 H new ATOM 0 HE1 PHE A 60 4.428 -8.578 2.639 1.00 1.20 H new ATOM 0 HE2 PHE A 60 4.395 -10.112 -1.335 1.00 1.22 H new ATOM 0 HZ PHE A 60 4.190 -8.213 0.217 1.00 0.33 H new ATOM 655 N GLU A 61 7.264 -13.763 0.073 1.00 0.48 N ATOM 656 CA GLU A 61 7.998 -13.479 -1.151 1.00 0.55 C ATOM 657 C GLU A 61 7.040 -13.071 -2.265 1.00 0.50 C ATOM 658 O GLU A 61 5.895 -13.526 -2.315 1.00 0.48 O ATOM 659 CB GLU A 61 8.817 -14.701 -1.570 1.00 0.70 C ATOM 660 CG GLU A 61 9.848 -15.117 -0.533 1.00 0.81 C ATOM 661 CD GLU A 61 10.773 -16.204 -1.031 1.00 1.48 C ATOM 662 OE1 GLU A 61 10.415 -17.395 -0.922 1.00 2.05 O ATOM 663 OE2 GLU A 61 11.866 -15.872 -1.539 1.00 2.33 O ATOM 0 H GLU A 61 6.573 -14.509 -0.012 1.00 0.48 H new ATOM 0 HA GLU A 61 8.680 -12.649 -0.964 1.00 0.55 H new ATOM 0 HB2 GLU A 61 8.142 -15.536 -1.756 1.00 0.70 H new ATOM 0 HB3 GLU A 61 9.324 -14.485 -2.510 1.00 0.70 H new ATOM 0 HG2 GLU A 61 10.439 -14.247 -0.245 1.00 0.81 H new ATOM 0 HG3 GLU A 61 9.335 -15.465 0.364 1.00 0.81 H new ATOM 670 N ARG A 62 7.531 -12.208 -3.155 1.00 0.54 N ATOM 671 CA ARG A 62 6.729 -11.622 -4.231 1.00 0.53 C ATOM 672 C ARG A 62 6.159 -12.686 -5.168 1.00 0.53 C ATOM 673 O ARG A 62 5.179 -12.445 -5.868 1.00 0.64 O ATOM 674 CB ARG A 62 7.587 -10.628 -5.024 1.00 0.63 C ATOM 675 CG ARG A 62 6.860 -9.949 -6.176 1.00 1.40 C ATOM 676 CD ARG A 62 7.804 -9.076 -6.988 1.00 1.46 C ATOM 677 NE ARG A 62 7.135 -8.443 -8.125 1.00 2.25 N ATOM 678 CZ ARG A 62 7.760 -7.678 -9.022 1.00 2.60 C ATOM 679 NH1 ARG A 62 9.064 -7.455 -8.918 1.00 2.13 N ATOM 680 NH2 ARG A 62 7.081 -7.132 -10.022 1.00 3.67 N ATOM 0 H ARG A 62 8.501 -11.894 -3.150 1.00 0.54 H new ATOM 0 HA ARG A 62 5.884 -11.106 -3.776 1.00 0.53 H new ATOM 0 HB2 ARG A 62 7.958 -9.862 -4.343 1.00 0.63 H new ATOM 0 HB3 ARG A 62 8.458 -11.152 -5.418 1.00 0.63 H new ATOM 0 HG2 ARG A 62 6.413 -10.704 -6.823 1.00 1.40 H new ATOM 0 HG3 ARG A 62 6.044 -9.341 -5.786 1.00 1.40 H new ATOM 0 HD2 ARG A 62 8.228 -8.306 -6.344 1.00 1.46 H new ATOM 0 HD3 ARG A 62 8.635 -9.682 -7.349 1.00 1.46 H new ATOM 0 HE ARG A 62 6.133 -8.595 -8.238 1.00 2.25 H new ATOM 0 HH11 ARG A 62 9.593 -7.869 -8.150 1.00 2.13 H new ATOM 0 HH12 ARG A 62 9.538 -6.870 -9.606 1.00 2.13 H new ATOM 0 HH21 ARG A 62 6.078 -7.296 -10.107 1.00 3.67 H new ATOM 0 HH22 ARG A 62 7.562 -6.548 -10.706 1.00 3.67 H new ATOM 694 N GLU A 63 6.766 -13.861 -5.184 1.00 0.58 N ATOM 695 CA GLU A 63 6.287 -14.945 -6.029 1.00 0.64 C ATOM 696 C GLU A 63 5.038 -15.589 -5.425 1.00 0.63 C ATOM 697 O GLU A 63 4.268 -16.247 -6.123 1.00 0.75 O ATOM 698 CB GLU A 63 7.382 -15.995 -6.217 1.00 0.74 C ATOM 699 CG GLU A 63 7.037 -17.056 -7.246 1.00 1.70 C ATOM 700 CD GLU A 63 8.063 -18.163 -7.312 1.00 2.53 C ATOM 701 OE1 GLU A 63 9.064 -18.011 -8.041 1.00 3.12 O ATOM 702 OE2 GLU A 63 7.868 -19.199 -6.642 1.00 3.20 O ATOM 0 H GLU A 63 7.588 -14.089 -4.625 1.00 0.58 H new ATOM 0 HA GLU A 63 6.026 -14.530 -7.003 1.00 0.64 H new ATOM 0 HB2 GLU A 63 8.304 -15.497 -6.517 1.00 0.74 H new ATOM 0 HB3 GLU A 63 7.578 -16.479 -5.260 1.00 0.74 H new ATOM 0 HG2 GLU A 63 6.063 -17.483 -7.008 1.00 1.70 H new ATOM 0 HG3 GLU A 63 6.949 -16.589 -8.227 1.00 1.70 H new ATOM 709 N ALA A 64 4.824 -15.367 -4.134 1.00 0.55 N ATOM 710 CA ALA A 64 3.714 -15.987 -3.422 1.00 0.60 C ATOM 711 C ALA A 64 2.523 -15.038 -3.300 1.00 0.54 C ATOM 712 O ALA A 64 1.529 -15.360 -2.649 1.00 0.57 O ATOM 713 CB ALA A 64 4.167 -16.442 -2.042 1.00 0.67 C ATOM 0 H ALA A 64 5.407 -14.760 -3.557 1.00 0.55 H new ATOM 0 HA ALA A 64 3.390 -16.853 -3.999 1.00 0.60 H new ATOM 0 HB1 ALA A 64 3.330 -16.904 -1.518 1.00 0.67 H new ATOM 0 HB2 ALA A 64 4.975 -17.166 -2.145 1.00 0.67 H new ATOM 0 HB3 ALA A 64 4.521 -15.582 -1.473 1.00 0.67 H new ATOM 719 N VAL A 65 2.619 -13.876 -3.941 1.00 0.51 N ATOM 720 CA VAL A 65 1.580 -12.855 -3.825 1.00 0.47 C ATOM 721 C VAL A 65 0.244 -13.341 -4.398 1.00 0.53 C ATOM 722 O VAL A 65 -0.817 -13.034 -3.852 1.00 0.54 O ATOM 723 CB VAL A 65 2.000 -11.524 -4.500 1.00 0.47 C ATOM 724 CG1 VAL A 65 2.264 -11.705 -5.982 1.00 0.51 C ATOM 725 CG2 VAL A 65 0.952 -10.447 -4.285 1.00 0.50 C ATOM 0 H VAL A 65 3.401 -13.618 -4.543 1.00 0.51 H new ATOM 0 HA VAL A 65 1.448 -12.666 -2.760 1.00 0.47 H new ATOM 0 HB VAL A 65 2.930 -11.207 -4.027 1.00 0.47 H new ATOM 0 HG11 VAL A 65 2.556 -10.750 -6.419 1.00 0.51 H new ATOM 0 HG12 VAL A 65 3.067 -12.429 -6.123 1.00 0.51 H new ATOM 0 HG13 VAL A 65 1.360 -12.067 -6.471 1.00 0.51 H new ATOM 0 HG21 VAL A 65 1.273 -9.525 -4.769 1.00 0.50 H new ATOM 0 HG22 VAL A 65 0.004 -10.771 -4.714 1.00 0.50 H new ATOM 0 HG23 VAL A 65 0.825 -10.271 -3.217 1.00 0.50 H new ATOM 729 N SER A 66 0.294 -14.126 -5.470 1.00 0.63 N ATOM 730 CA SER A 66 -0.920 -14.645 -6.087 1.00 0.75 C ATOM 731 C SER A 66 -1.612 -15.621 -5.143 1.00 0.76 C ATOM 732 O SER A 66 -2.838 -15.616 -5.016 1.00 0.84 O ATOM 733 CB SER A 66 -0.602 -15.331 -7.419 1.00 0.89 C ATOM 734 OG SER A 66 -1.786 -15.779 -8.059 1.00 1.63 O ATOM 0 H SER A 66 1.159 -14.415 -5.927 1.00 0.63 H new ATOM 0 HA SER A 66 -1.590 -13.808 -6.285 1.00 0.75 H new ATOM 0 HB2 SER A 66 -0.073 -14.637 -8.072 1.00 0.89 H new ATOM 0 HB3 SER A 66 0.064 -16.177 -7.246 1.00 0.89 H new ATOM 0 HG SER A 66 -1.556 -16.212 -8.908 1.00 1.63 H new ATOM 740 N GLY A 67 -0.816 -16.447 -4.473 1.00 0.73 N ATOM 741 CA GLY A 67 -1.353 -17.390 -3.516 1.00 0.75 C ATOM 742 C GLY A 67 -2.013 -16.689 -2.351 1.00 0.70 C ATOM 743 O GLY A 67 -3.068 -17.112 -1.877 1.00 0.76 O ATOM 0 H GLY A 67 0.198 -16.478 -4.578 1.00 0.73 H new ATOM 0 HA2 GLY A 67 -2.078 -18.037 -4.010 1.00 0.75 H new ATOM 0 HA3 GLY A 67 -0.552 -18.032 -3.148 1.00 0.75 H new ATOM 747 N ILE A 68 -1.393 -15.609 -1.894 1.00 0.63 N ATOM 748 CA ILE A 68 -1.954 -14.806 -0.821 1.00 0.59 C ATOM 749 C ILE A 68 -3.260 -14.160 -1.270 1.00 0.63 C ATOM 750 O ILE A 68 -4.293 -14.325 -0.626 1.00 0.71 O ATOM 751 CB ILE A 68 -0.977 -13.704 -0.353 1.00 0.51 C ATOM 752 CG1 ILE A 68 0.350 -14.322 0.096 1.00 0.50 C ATOM 753 CG2 ILE A 68 -1.594 -12.893 0.780 1.00 0.50 C ATOM 754 CD1 ILE A 68 1.397 -13.300 0.487 1.00 0.45 C ATOM 0 H ILE A 68 -0.500 -15.270 -2.252 1.00 0.63 H new ATOM 0 HA ILE A 68 -2.140 -15.477 0.018 1.00 0.59 H new ATOM 0 HB ILE A 68 -0.782 -13.036 -1.192 1.00 0.51 H new ATOM 0 HG12 ILE A 68 0.165 -14.982 0.944 1.00 0.50 H new ATOM 0 HG13 ILE A 68 0.743 -14.941 -0.710 1.00 0.50 H new ATOM 0 HG21 ILE A 68 -0.893 -12.121 1.098 1.00 0.50 H new ATOM 0 HG22 ILE A 68 -2.516 -12.426 0.433 1.00 0.50 H new ATOM 0 HG23 ILE A 68 -1.815 -13.551 1.620 1.00 0.50 H new ATOM 0 HD11 ILE A 68 2.309 -13.812 0.793 1.00 0.45 H new ATOM 0 HD12 ILE A 68 1.612 -12.655 -0.365 1.00 0.45 H new ATOM 0 HD13 ILE A 68 1.025 -12.696 1.314 1.00 0.45 H new ATOM 761 N LEU A 69 -3.212 -13.448 -2.393 1.00 0.62 N ATOM 762 CA LEU A 69 -4.379 -12.732 -2.904 1.00 0.67 C ATOM 763 C LEU A 69 -5.515 -13.686 -3.257 1.00 0.85 C ATOM 764 O LEU A 69 -6.682 -13.352 -3.088 1.00 1.14 O ATOM 765 CB LEU A 69 -4.002 -11.894 -4.127 1.00 0.62 C ATOM 766 CG LEU A 69 -3.070 -10.715 -3.844 1.00 0.47 C ATOM 767 CD1 LEU A 69 -2.693 -10.008 -5.137 1.00 0.50 C ATOM 768 CD2 LEU A 69 -3.726 -9.739 -2.879 1.00 0.45 C ATOM 0 H LEU A 69 -2.375 -13.351 -2.968 1.00 0.62 H new ATOM 0 HA LEU A 69 -4.728 -12.071 -2.111 1.00 0.67 H new ATOM 0 HB2 LEU A 69 -3.527 -12.545 -4.861 1.00 0.62 H new ATOM 0 HB3 LEU A 69 -4.916 -11.513 -4.583 1.00 0.62 H new ATOM 0 HG LEU A 69 -2.160 -11.100 -3.384 1.00 0.47 H new ATOM 0 HD11 LEU A 69 -2.030 -9.172 -4.915 1.00 0.50 H new ATOM 0 HD12 LEU A 69 -2.185 -10.708 -5.800 1.00 0.50 H new ATOM 0 HD13 LEU A 69 -3.594 -9.636 -5.624 1.00 0.50 H new ATOM 0 HD21 LEU A 69 -3.050 -8.906 -2.688 1.00 0.45 H new ATOM 0 HD22 LEU A 69 -4.651 -9.363 -3.315 1.00 0.45 H new ATOM 0 HD23 LEU A 69 -3.948 -10.248 -1.941 1.00 0.45 H new ATOM 780 N GLY A 70 -5.163 -14.874 -3.736 1.00 0.81 N ATOM 781 CA GLY A 70 -6.165 -15.860 -4.094 1.00 0.94 C ATOM 782 C GLY A 70 -6.940 -16.362 -2.894 1.00 0.99 C ATOM 783 O GLY A 70 -8.124 -16.678 -2.997 1.00 1.25 O ATOM 0 H GLY A 70 -4.199 -15.172 -3.883 1.00 0.81 H new ATOM 0 HA2 GLY A 70 -6.858 -15.424 -4.813 1.00 0.94 H new ATOM 0 HA3 GLY A 70 -5.681 -16.702 -4.588 1.00 0.94 H new ATOM 787 N LYS A 71 -6.274 -16.435 -1.749 1.00 0.87 N ATOM 788 CA LYS A 71 -6.917 -16.892 -0.525 1.00 0.98 C ATOM 789 C LYS A 71 -7.557 -15.717 0.209 1.00 0.99 C ATOM 790 O LYS A 71 -8.556 -15.871 0.915 1.00 1.26 O ATOM 791 CB LYS A 71 -5.898 -17.596 0.378 1.00 1.11 C ATOM 792 CG LYS A 71 -6.503 -18.220 1.627 1.00 1.69 C ATOM 793 CD LYS A 71 -7.520 -19.294 1.281 1.00 2.11 C ATOM 794 CE LYS A 71 -8.125 -19.917 2.529 1.00 2.60 C ATOM 795 NZ LYS A 71 -8.901 -18.933 3.329 1.00 3.16 N ATOM 0 H LYS A 71 -5.291 -16.184 -1.643 1.00 0.87 H new ATOM 0 HA LYS A 71 -7.700 -17.604 -0.787 1.00 0.98 H new ATOM 0 HB2 LYS A 71 -5.395 -18.374 -0.197 1.00 1.11 H new ATOM 0 HB3 LYS A 71 -5.135 -16.877 0.677 1.00 1.11 H new ATOM 0 HG2 LYS A 71 -5.711 -18.652 2.238 1.00 1.69 H new ATOM 0 HG3 LYS A 71 -6.981 -17.445 2.226 1.00 1.69 H new ATOM 0 HD2 LYS A 71 -8.312 -18.862 0.669 1.00 2.11 H new ATOM 0 HD3 LYS A 71 -7.042 -20.069 0.682 1.00 2.11 H new ATOM 0 HE2 LYS A 71 -8.776 -20.743 2.242 1.00 2.60 H new ATOM 0 HE3 LYS A 71 -7.330 -20.337 3.145 1.00 2.60 H new ATOM 0 HZ1 LYS A 71 -9.445 -19.433 4.061 1.00 3.16 H new ATOM 0 HZ2 LYS A 71 -8.248 -18.261 3.781 1.00 3.16 H new ATOM 0 HZ3 LYS A 71 -9.553 -18.416 2.705 1.00 3.16 H new ATOM 809 N SER A 72 -6.975 -14.543 0.032 1.00 0.92 N ATOM 810 CA SER A 72 -7.471 -13.336 0.670 1.00 1.08 C ATOM 811 C SER A 72 -8.683 -12.792 -0.077 1.00 1.04 C ATOM 812 O SER A 72 -8.942 -13.162 -1.222 1.00 1.21 O ATOM 813 CB SER A 72 -6.362 -12.285 0.716 1.00 1.30 C ATOM 814 OG SER A 72 -5.199 -12.807 1.340 1.00 2.02 O ATOM 0 H SER A 72 -6.152 -14.400 -0.553 1.00 0.92 H new ATOM 0 HA SER A 72 -7.778 -13.578 1.687 1.00 1.08 H new ATOM 0 HB2 SER A 72 -6.122 -11.959 -0.296 1.00 1.30 H new ATOM 0 HB3 SER A 72 -6.709 -11.407 1.260 1.00 1.30 H new ATOM 0 HG SER A 72 -4.639 -13.251 0.669 1.00 2.02 H new ATOM 820 N GLU A 73 -9.418 -11.904 0.573 1.00 1.13 N ATOM 821 CA GLU A 73 -10.630 -11.339 -0.006 1.00 1.31 C ATOM 822 C GLU A 73 -10.302 -10.112 -0.851 1.00 1.26 C ATOM 823 O GLU A 73 -11.049 -9.132 -0.860 1.00 1.87 O ATOM 824 CB GLU A 73 -11.610 -10.959 1.105 1.00 1.67 C ATOM 825 CG GLU A 73 -11.986 -12.120 2.007 1.00 1.87 C ATOM 826 CD GLU A 73 -13.082 -11.766 2.984 1.00 2.12 C ATOM 827 OE1 GLU A 73 -12.796 -11.075 3.981 1.00 2.46 O ATOM 828 OE2 GLU A 73 -14.233 -12.194 2.775 1.00 2.64 O ATOM 0 H GLU A 73 -9.196 -11.557 1.506 1.00 1.13 H new ATOM 0 HA GLU A 73 -11.088 -12.090 -0.649 1.00 1.31 H new ATOM 0 HB2 GLU A 73 -11.170 -10.167 1.711 1.00 1.67 H new ATOM 0 HB3 GLU A 73 -12.515 -10.551 0.656 1.00 1.67 H new ATOM 0 HG2 GLU A 73 -12.309 -12.962 1.394 1.00 1.87 H new ATOM 0 HG3 GLU A 73 -11.105 -12.447 2.559 1.00 1.87 H new ATOM 835 N PHE A 74 -9.183 -10.181 -1.559 1.00 1.04 N ATOM 836 CA PHE A 74 -8.690 -9.053 -2.340 1.00 1.02 C ATOM 837 C PHE A 74 -8.150 -9.536 -3.680 1.00 1.08 C ATOM 838 O PHE A 74 -7.182 -8.994 -4.209 1.00 1.45 O ATOM 839 CB PHE A 74 -7.587 -8.318 -1.576 1.00 0.94 C ATOM 840 CG PHE A 74 -7.998 -7.832 -0.213 1.00 0.96 C ATOM 841 CD1 PHE A 74 -8.794 -6.708 -0.073 1.00 1.61 C ATOM 842 CD2 PHE A 74 -7.580 -8.497 0.929 1.00 1.18 C ATOM 843 CE1 PHE A 74 -9.167 -6.256 1.177 1.00 1.70 C ATOM 844 CE2 PHE A 74 -7.951 -8.051 2.183 1.00 1.25 C ATOM 845 CZ PHE A 74 -8.745 -6.929 2.307 1.00 1.19 C ATOM 0 H PHE A 74 -8.595 -11.013 -1.609 1.00 1.04 H new ATOM 0 HA PHE A 74 -9.519 -8.367 -2.515 1.00 1.02 H new ATOM 0 HB2 PHE A 74 -6.730 -8.983 -1.469 1.00 0.94 H new ATOM 0 HB3 PHE A 74 -7.257 -7.465 -2.169 1.00 0.94 H new ATOM 0 HD1 PHE A 74 -9.127 -6.178 -0.953 1.00 1.61 H new ATOM 0 HD2 PHE A 74 -6.957 -9.374 0.838 1.00 1.18 H new ATOM 0 HE1 PHE A 74 -9.788 -5.377 1.271 1.00 1.70 H new ATOM 0 HE2 PHE A 74 -7.620 -8.580 3.065 1.00 1.25 H new ATOM 0 HZ PHE A 74 -9.036 -6.578 3.286 1.00 1.19 H new ATOM 901 N HIS A 78 -6.879 -4.812 -7.904 1.00 0.88 N ATOM 902 CA HIS A 78 -5.607 -4.321 -7.398 1.00 0.85 C ATOM 903 C HIS A 78 -5.867 -3.361 -6.249 1.00 0.69 C ATOM 904 O HIS A 78 -7.009 -2.941 -6.047 1.00 0.68 O ATOM 905 CB HIS A 78 -4.812 -3.597 -8.493 1.00 1.02 C ATOM 906 CG HIS A 78 -4.633 -4.388 -9.753 1.00 1.16 C ATOM 907 ND1 HIS A 78 -5.305 -4.094 -10.920 1.00 1.50 N ATOM 908 CD2 HIS A 78 -3.845 -5.452 -10.035 1.00 1.41 C ATOM 909 CE1 HIS A 78 -4.939 -4.941 -11.862 1.00 1.96 C ATOM 910 NE2 HIS A 78 -4.055 -5.775 -11.351 1.00 1.85 N ATOM 0 HA HIS A 78 -5.019 -5.174 -7.058 1.00 0.85 H new ATOM 0 HB2 HIS A 78 -5.318 -2.662 -8.734 1.00 1.02 H new ATOM 0 HB3 HIS A 78 -3.830 -3.336 -8.100 1.00 1.02 H new ATOM 0 HD1 HIS A 78 -5.980 -3.339 -11.037 1.00 1.50 H new ATOM 0 HD2 HIS A 78 -3.176 -5.953 -9.351 1.00 1.41 H new ATOM 0 HE1 HIS A 78 -5.302 -4.950 -12.879 1.00 1.96 H new ATOM 919 N LEU A 79 -4.826 -3.005 -5.507 1.00 0.60 N ATOM 920 CA LEU A 79 -4.971 -2.071 -4.393 1.00 0.46 C ATOM 921 C LEU A 79 -5.660 -0.790 -4.855 1.00 0.44 C ATOM 922 O LEU A 79 -6.604 -0.311 -4.226 1.00 0.42 O ATOM 923 CB LEU A 79 -3.603 -1.727 -3.797 1.00 0.44 C ATOM 924 CG LEU A 79 -3.645 -0.836 -2.553 1.00 0.37 C ATOM 925 CD1 LEU A 79 -4.328 -1.557 -1.402 1.00 0.37 C ATOM 926 CD2 LEU A 79 -2.244 -0.407 -2.157 1.00 0.41 C ATOM 0 H LEU A 79 -3.876 -3.346 -5.654 1.00 0.60 H new ATOM 0 HA LEU A 79 -5.583 -2.551 -3.629 1.00 0.46 H new ATOM 0 HB2 LEU A 79 -3.090 -2.655 -3.544 1.00 0.44 H new ATOM 0 HB3 LEU A 79 -3.005 -1.230 -4.561 1.00 0.44 H new ATOM 0 HG LEU A 79 -4.223 0.057 -2.790 1.00 0.37 H new ATOM 0 HD11 LEU A 79 -4.348 -0.908 -0.527 1.00 0.37 H new ATOM 0 HD12 LEU A 79 -5.348 -1.813 -1.687 1.00 0.37 H new ATOM 0 HD13 LEU A 79 -3.778 -2.468 -1.165 1.00 0.37 H new ATOM 0 HD21 LEU A 79 -2.294 0.226 -1.271 1.00 0.41 H new ATOM 0 HD22 LEU A 79 -1.641 -1.289 -1.940 1.00 0.41 H new ATOM 0 HD23 LEU A 79 -1.789 0.151 -2.976 1.00 0.41 H new ATOM 938 N ALA A 80 -5.200 -0.267 -5.981 1.00 0.50 N ATOM 939 CA ALA A 80 -5.714 0.985 -6.515 1.00 0.54 C ATOM 940 C ALA A 80 -7.181 0.874 -6.915 1.00 0.58 C ATOM 941 O ALA A 80 -7.940 1.822 -6.747 1.00 0.61 O ATOM 942 CB ALA A 80 -4.873 1.427 -7.693 1.00 0.63 C ATOM 0 H ALA A 80 -4.466 -0.694 -6.546 1.00 0.50 H new ATOM 0 HA ALA A 80 -5.652 1.735 -5.727 1.00 0.54 H new ATOM 0 HB1 ALA A 80 -5.264 2.365 -8.088 1.00 0.63 H new ATOM 0 HB2 ALA A 80 -3.842 1.571 -7.370 1.00 0.63 H new ATOM 0 HB3 ALA A 80 -4.907 0.664 -8.471 1.00 0.63 H new ATOM 948 N ASP A 81 -7.581 -0.286 -7.435 1.00 0.64 N ATOM 949 CA ASP A 81 -8.979 -0.506 -7.816 1.00 0.70 C ATOM 950 C ASP A 81 -9.864 -0.412 -6.584 1.00 0.60 C ATOM 951 O ASP A 81 -10.953 0.168 -6.614 1.00 0.67 O ATOM 952 CB ASP A 81 -9.176 -1.878 -8.473 1.00 0.78 C ATOM 953 CG ASP A 81 -8.415 -2.043 -9.772 1.00 1.52 C ATOM 954 OD1 ASP A 81 -8.518 -1.161 -10.648 1.00 2.30 O ATOM 955 OD2 ASP A 81 -7.718 -3.070 -9.925 1.00 2.06 O ATOM 0 H ASP A 81 -6.965 -1.082 -7.602 1.00 0.64 H new ATOM 0 HA ASP A 81 -9.253 0.262 -8.539 1.00 0.70 H new ATOM 0 HB2 ASP A 81 -8.861 -2.654 -7.776 1.00 0.78 H new ATOM 0 HB3 ASP A 81 -10.238 -2.032 -8.662 1.00 0.78 H new ATOM 960 N ILE A 82 -9.371 -0.987 -5.499 1.00 0.50 N ATOM 961 CA ILE A 82 -10.053 -0.951 -4.218 1.00 0.45 C ATOM 962 C ILE A 82 -10.185 0.483 -3.710 1.00 0.48 C ATOM 963 O ILE A 82 -11.269 0.917 -3.318 1.00 0.61 O ATOM 964 CB ILE A 82 -9.294 -1.814 -3.188 1.00 0.41 C ATOM 965 CG1 ILE A 82 -9.464 -3.297 -3.530 1.00 0.51 C ATOM 966 CG2 ILE A 82 -9.763 -1.519 -1.772 1.00 0.46 C ATOM 967 CD1 ILE A 82 -8.651 -4.221 -2.653 1.00 0.61 C ATOM 0 H ILE A 82 -8.485 -1.492 -5.483 1.00 0.50 H new ATOM 0 HA ILE A 82 -11.055 -1.358 -4.353 1.00 0.45 H new ATOM 0 HB ILE A 82 -8.234 -1.564 -3.235 1.00 0.41 H new ATOM 0 HG12 ILE A 82 -10.518 -3.562 -3.443 1.00 0.51 H new ATOM 0 HG13 ILE A 82 -9.180 -3.455 -4.570 1.00 0.51 H new ATOM 0 HG21 ILE A 82 -9.210 -2.142 -1.069 1.00 0.46 H new ATOM 0 HG22 ILE A 82 -9.587 -0.468 -1.542 1.00 0.46 H new ATOM 0 HG23 ILE A 82 -10.828 -1.735 -1.689 1.00 0.46 H new ATOM 0 HD11 ILE A 82 -8.823 -5.254 -2.955 1.00 0.61 H new ATOM 0 HD12 ILE A 82 -7.592 -3.984 -2.758 1.00 0.61 H new ATOM 0 HD13 ILE A 82 -8.950 -4.092 -1.613 1.00 0.61 H new ATOM 974 N LEU A 83 -9.080 1.217 -3.742 1.00 0.44 N ATOM 975 CA LEU A 83 -9.059 2.606 -3.289 1.00 0.52 C ATOM 976 C LEU A 83 -9.912 3.490 -4.195 1.00 0.69 C ATOM 977 O LEU A 83 -10.572 4.419 -3.732 1.00 0.83 O ATOM 978 CB LEU A 83 -7.621 3.130 -3.239 1.00 0.47 C ATOM 979 CG LEU A 83 -6.847 2.841 -1.944 1.00 0.39 C ATOM 980 CD1 LEU A 83 -6.844 1.357 -1.610 1.00 0.32 C ATOM 981 CD2 LEU A 83 -5.424 3.352 -2.069 1.00 0.42 C ATOM 0 H LEU A 83 -8.181 0.873 -4.079 1.00 0.44 H new ATOM 0 HA LEU A 83 -9.481 2.640 -2.285 1.00 0.52 H new ATOM 0 HB2 LEU A 83 -7.068 2.699 -4.074 1.00 0.47 H new ATOM 0 HB3 LEU A 83 -7.642 4.209 -3.394 1.00 0.47 H new ATOM 0 HG LEU A 83 -7.350 3.361 -1.129 1.00 0.39 H new ATOM 0 HD11 LEU A 83 -6.287 1.193 -0.688 1.00 0.32 H new ATOM 0 HD12 LEU A 83 -7.870 1.011 -1.481 1.00 0.32 H new ATOM 0 HD13 LEU A 83 -6.373 0.802 -2.422 1.00 0.32 H new ATOM 0 HD21 LEU A 83 -4.880 3.144 -1.147 1.00 0.42 H new ATOM 0 HD22 LEU A 83 -4.930 2.852 -2.902 1.00 0.42 H new ATOM 0 HD23 LEU A 83 -5.438 4.427 -2.247 1.00 0.42 H new ATOM 993 N ASN A 84 -9.909 3.182 -5.486 1.00 0.74 N ATOM 994 CA ASN A 84 -10.723 3.907 -6.458 1.00 0.94 C ATOM 995 C ASN A 84 -12.206 3.738 -6.139 1.00 0.97 C ATOM 996 O ASN A 84 -13.030 4.584 -6.472 1.00 1.15 O ATOM 997 CB ASN A 84 -10.426 3.399 -7.875 1.00 1.04 C ATOM 998 CG ASN A 84 -11.180 4.161 -8.950 1.00 1.27 C ATOM 999 OD1 ASN A 84 -11.454 5.355 -8.814 1.00 1.83 O ATOM 1000 ND2 ASN A 84 -11.511 3.474 -10.033 1.00 1.79 N ATOM 0 H ASN A 84 -9.349 2.430 -5.888 1.00 0.74 H new ATOM 0 HA ASN A 84 -10.474 4.967 -6.403 1.00 0.94 H new ATOM 0 HB2 ASN A 84 -9.356 3.477 -8.066 1.00 1.04 H new ATOM 0 HB3 ASN A 84 -10.685 2.342 -7.938 1.00 1.04 H new ATOM 0 HD21 ASN A 84 -12.012 3.932 -10.794 1.00 1.79 H new ATOM 0 HD22 ASN A 84 -11.265 2.487 -10.106 1.00 1.79 H new ATOM 1007 N SER A 85 -12.532 2.641 -5.475 1.00 0.87 N ATOM 1008 CA SER A 85 -13.903 2.362 -5.083 1.00 0.93 C ATOM 1009 C SER A 85 -14.211 2.978 -3.716 1.00 0.91 C ATOM 1010 O SER A 85 -15.366 3.032 -3.293 1.00 1.01 O ATOM 1011 CB SER A 85 -14.134 0.851 -5.053 1.00 0.98 C ATOM 1012 OG SER A 85 -13.702 0.247 -6.265 1.00 1.50 O ATOM 0 H SER A 85 -11.861 1.926 -5.195 1.00 0.87 H new ATOM 0 HA SER A 85 -14.576 2.810 -5.814 1.00 0.93 H new ATOM 0 HB2 SER A 85 -13.596 0.414 -4.212 1.00 0.98 H new ATOM 0 HB3 SER A 85 -15.193 0.644 -4.896 1.00 0.98 H new ATOM 0 HG SER A 85 -12.723 0.248 -6.300 1.00 1.50 H new ATOM 1018 N ALA A 86 -13.174 3.456 -3.039 1.00 0.88 N ATOM 1019 CA ALA A 86 -13.316 3.992 -1.691 1.00 0.95 C ATOM 1020 C ALA A 86 -13.087 5.500 -1.667 1.00 1.14 C ATOM 1021 O ALA A 86 -12.467 6.029 -0.744 1.00 1.71 O ATOM 1022 CB ALA A 86 -12.345 3.297 -0.748 1.00 1.09 C ATOM 0 H ALA A 86 -12.222 3.483 -3.403 1.00 0.88 H new ATOM 0 HA ALA A 86 -14.336 3.803 -1.358 1.00 0.95 H new ATOM 0 HB1 ALA A 86 -12.459 3.704 0.257 1.00 1.09 H new ATOM 0 HB2 ALA A 86 -12.556 2.228 -0.732 1.00 1.09 H new ATOM 0 HB3 ALA A 86 -11.324 3.460 -1.092 1.00 1.09 H new ATOM 1162 N ALA B 17 -8.327 7.019 -7.953 1.00 0.94 N ATOM 1163 CA ALA B 17 -7.198 6.787 -7.064 1.00 0.81 C ATOM 1164 C ALA B 17 -5.896 7.171 -7.753 1.00 0.69 C ATOM 1165 O ALA B 17 -5.356 6.402 -8.553 1.00 0.71 O ATOM 1166 CB ALA B 17 -7.161 5.332 -6.620 1.00 1.09 C ATOM 0 HA ALA B 17 -7.317 7.412 -6.179 1.00 0.81 H new ATOM 0 HB1 ALA B 17 -6.311 5.176 -5.956 1.00 1.09 H new ATOM 0 HB2 ALA B 17 -8.083 5.089 -6.092 1.00 1.09 H new ATOM 0 HB3 ALA B 17 -7.062 4.687 -7.493 1.00 1.09 H new ATOM 1172 N SER B 18 -5.406 8.367 -7.462 1.00 0.64 N ATOM 1173 CA SER B 18 -4.186 8.857 -8.081 1.00 0.61 C ATOM 1174 C SER B 18 -2.959 8.231 -7.424 1.00 0.50 C ATOM 1175 O SER B 18 -3.043 7.725 -6.303 1.00 0.45 O ATOM 1176 CB SER B 18 -4.113 10.380 -7.983 1.00 0.67 C ATOM 1177 OG SER B 18 -5.361 10.972 -8.300 1.00 1.33 O ATOM 0 H SER B 18 -5.835 9.015 -6.801 1.00 0.64 H new ATOM 0 HA SER B 18 -4.200 8.572 -9.133 1.00 0.61 H new ATOM 0 HB2 SER B 18 -3.816 10.669 -6.975 1.00 0.67 H new ATOM 0 HB3 SER B 18 -3.346 10.755 -8.661 1.00 0.67 H new ATOM 0 HG SER B 18 -5.900 11.055 -7.486 1.00 1.33 H new ATOM 1183 N LYS B 19 -1.827 8.274 -8.111 1.00 0.50 N ATOM 1184 CA LYS B 19 -0.624 7.583 -7.657 1.00 0.43 C ATOM 1185 C LYS B 19 -0.201 8.040 -6.259 1.00 0.35 C ATOM 1186 O LYS B 19 0.028 7.213 -5.369 1.00 0.28 O ATOM 1187 CB LYS B 19 0.514 7.803 -8.656 1.00 0.54 C ATOM 1188 CG LYS B 19 0.140 7.431 -10.083 1.00 0.85 C ATOM 1189 CD LYS B 19 1.348 7.439 -11.004 1.00 1.13 C ATOM 1190 CE LYS B 19 0.952 7.157 -12.446 1.00 1.74 C ATOM 1191 NZ LYS B 19 0.136 5.918 -12.573 1.00 2.10 N ATOM 0 H LYS B 19 -1.714 8.782 -8.989 1.00 0.50 H new ATOM 0 HA LYS B 19 -0.852 6.519 -7.598 1.00 0.43 H new ATOM 0 HB2 LYS B 19 0.816 8.850 -8.628 1.00 0.54 H new ATOM 0 HB3 LYS B 19 1.378 7.214 -8.348 1.00 0.54 H new ATOM 0 HG2 LYS B 19 -0.318 6.442 -10.093 1.00 0.85 H new ATOM 0 HG3 LYS B 19 -0.607 8.131 -10.457 1.00 0.85 H new ATOM 0 HD2 LYS B 19 1.845 8.407 -10.945 1.00 1.13 H new ATOM 0 HD3 LYS B 19 2.067 6.691 -10.670 1.00 1.13 H new ATOM 0 HE2 LYS B 19 0.388 8.003 -12.838 1.00 1.74 H new ATOM 0 HE3 LYS B 19 1.850 7.062 -13.056 1.00 1.74 H new ATOM 0 HZ1 LYS B 19 0.240 5.530 -13.532 1.00 2.10 H new ATOM 0 HZ2 LYS B 19 0.461 5.216 -11.878 1.00 2.10 H new ATOM 0 HZ3 LYS B 19 -0.864 6.142 -12.397 1.00 2.10 H new ATOM 1205 N GLU B 20 -0.133 9.351 -6.058 1.00 0.41 N ATOM 1206 CA GLU B 20 0.324 9.910 -4.791 1.00 0.42 C ATOM 1207 C GLU B 20 -0.692 9.656 -3.680 1.00 0.34 C ATOM 1208 O GLU B 20 -0.317 9.474 -2.524 1.00 0.30 O ATOM 1209 CB GLU B 20 0.616 11.415 -4.912 1.00 0.57 C ATOM 1210 CG GLU B 20 -0.553 12.256 -5.414 1.00 0.64 C ATOM 1211 CD GLU B 20 -0.687 12.242 -6.924 1.00 0.95 C ATOM 1212 OE1 GLU B 20 -1.240 11.271 -7.471 1.00 1.49 O ATOM 1213 OE2 GLU B 20 -0.238 13.208 -7.575 1.00 1.58 O ATOM 0 H GLU B 20 -0.389 10.048 -6.757 1.00 0.41 H new ATOM 0 HA GLU B 20 1.254 9.404 -4.532 1.00 0.42 H new ATOM 0 HB2 GLU B 20 0.923 11.791 -3.936 1.00 0.57 H new ATOM 0 HB3 GLU B 20 1.461 11.554 -5.587 1.00 0.57 H new ATOM 0 HG2 GLU B 20 -1.477 11.886 -4.969 1.00 0.64 H new ATOM 0 HG3 GLU B 20 -0.426 13.284 -5.076 1.00 0.64 H new ATOM 1220 N GLU B 21 -1.972 9.626 -4.042 1.00 0.37 N ATOM 1221 CA GLU B 21 -3.036 9.356 -3.077 1.00 0.39 C ATOM 1222 C GLU B 21 -2.878 7.956 -2.498 1.00 0.32 C ATOM 1223 O GLU B 21 -3.015 7.743 -1.293 1.00 0.33 O ATOM 1224 CB GLU B 21 -4.407 9.487 -3.739 1.00 0.50 C ATOM 1225 CG GLU B 21 -4.710 10.883 -4.257 1.00 0.62 C ATOM 1226 CD GLU B 21 -6.107 11.001 -4.834 1.00 0.91 C ATOM 1227 OE1 GLU B 21 -6.365 10.412 -5.904 1.00 1.54 O ATOM 1228 OE2 GLU B 21 -6.958 11.691 -4.226 1.00 1.49 O ATOM 0 H GLU B 21 -2.298 9.785 -4.995 1.00 0.37 H new ATOM 0 HA GLU B 21 -2.962 10.088 -2.272 1.00 0.39 H new ATOM 0 HB2 GLU B 21 -4.468 8.781 -4.568 1.00 0.50 H new ATOM 0 HB3 GLU B 21 -5.175 9.202 -3.020 1.00 0.50 H new ATOM 0 HG2 GLU B 21 -4.595 11.601 -3.445 1.00 0.62 H new ATOM 0 HG3 GLU B 21 -3.981 11.148 -5.023 1.00 0.62 H new ATOM 1235 N ILE B 22 -2.579 7.009 -3.374 1.00 0.30 N ATOM 1236 CA ILE B 22 -2.373 5.626 -2.974 1.00 0.29 C ATOM 1237 C ILE B 22 -1.098 5.492 -2.153 1.00 0.24 C ATOM 1238 O ILE B 22 -1.099 4.889 -1.079 1.00 0.26 O ATOM 1239 CB ILE B 22 -2.290 4.708 -4.207 1.00 0.30 C ATOM 1240 CG1 ILE B 22 -3.556 4.858 -5.052 1.00 0.36 C ATOM 1241 CG2 ILE B 22 -2.091 3.257 -3.782 1.00 0.31 C ATOM 1242 CD1 ILE B 22 -3.446 4.239 -6.423 1.00 0.44 C ATOM 0 H ILE B 22 -2.473 7.176 -4.375 1.00 0.30 H new ATOM 0 HA ILE B 22 -3.224 5.323 -2.365 1.00 0.29 H new ATOM 0 HB ILE B 22 -1.431 5.002 -4.810 1.00 0.30 H new ATOM 0 HG12 ILE B 22 -4.392 4.401 -4.523 1.00 0.36 H new ATOM 0 HG13 ILE B 22 -3.788 5.918 -5.159 1.00 0.36 H new ATOM 0 HG21 ILE B 22 -2.035 2.623 -4.667 1.00 0.31 H new ATOM 0 HG22 ILE B 22 -1.166 3.168 -3.213 1.00 0.31 H new ATOM 0 HG23 ILE B 22 -2.930 2.941 -3.162 1.00 0.31 H new ATOM 0 HD11 ILE B 22 -4.381 4.385 -6.964 1.00 0.44 H new ATOM 0 HD12 ILE B 22 -2.632 4.712 -6.972 1.00 0.44 H new ATOM 0 HD13 ILE B 22 -3.246 3.172 -6.325 1.00 0.44 H new ATOM 1249 N ALA B 23 -0.017 6.076 -2.660 1.00 0.20 N ATOM 1250 CA ALA B 23 1.276 6.019 -1.988 1.00 0.19 C ATOM 1251 C ALA B 23 1.195 6.617 -0.589 1.00 0.20 C ATOM 1252 O ALA B 23 1.833 6.126 0.341 1.00 0.20 O ATOM 1253 CB ALA B 23 2.330 6.741 -2.810 1.00 0.20 C ATOM 0 H ALA B 23 -0.011 6.596 -3.537 1.00 0.20 H new ATOM 0 HA ALA B 23 1.560 4.971 -1.891 1.00 0.19 H new ATOM 0 HB1 ALA B 23 3.290 6.690 -2.296 1.00 0.20 H new ATOM 0 HB2 ALA B 23 2.416 6.267 -3.788 1.00 0.20 H new ATOM 0 HB3 ALA B 23 2.041 7.784 -2.937 1.00 0.20 H new ATOM 1259 N ALA B 24 0.396 7.669 -0.452 1.00 0.22 N ATOM 1260 CA ALA B 24 0.186 8.318 0.833 1.00 0.25 C ATOM 1261 C ALA B 24 -0.378 7.335 1.852 1.00 0.23 C ATOM 1262 O ALA B 24 0.078 7.278 2.990 1.00 0.25 O ATOM 1263 CB ALA B 24 -0.744 9.508 0.670 1.00 0.31 C ATOM 0 H ALA B 24 -0.120 8.092 -1.223 1.00 0.22 H new ATOM 0 HA ALA B 24 1.148 8.671 1.203 1.00 0.25 H new ATOM 0 HB1 ALA B 24 -0.895 9.987 1.637 1.00 0.31 H new ATOM 0 HB2 ALA B 24 -0.302 10.223 -0.024 1.00 0.31 H new ATOM 0 HB3 ALA B 24 -1.703 9.169 0.279 1.00 0.31 H new ATOM 1269 N LEU B 25 -1.359 6.551 1.430 1.00 0.23 N ATOM 1270 CA LEU B 25 -1.963 5.547 2.296 1.00 0.23 C ATOM 1271 C LEU B 25 -0.988 4.411 2.574 1.00 0.22 C ATOM 1272 O LEU B 25 -0.962 3.855 3.672 1.00 0.25 O ATOM 1273 CB LEU B 25 -3.233 4.988 1.662 1.00 0.26 C ATOM 1274 CG LEU B 25 -4.423 5.938 1.638 1.00 0.36 C ATOM 1275 CD1 LEU B 25 -5.562 5.315 0.851 1.00 0.46 C ATOM 1276 CD2 LEU B 25 -4.871 6.266 3.055 1.00 0.43 C ATOM 0 H LEU B 25 -1.755 6.590 0.491 1.00 0.23 H new ATOM 0 HA LEU B 25 -2.217 6.030 3.240 1.00 0.23 H new ATOM 0 HB2 LEU B 25 -3.007 4.690 0.638 1.00 0.26 H new ATOM 0 HB3 LEU B 25 -3.521 4.085 2.201 1.00 0.26 H new ATOM 0 HG LEU B 25 -4.124 6.867 1.152 1.00 0.36 H new ATOM 0 HD11 LEU B 25 -6.411 5.998 0.837 1.00 0.46 H new ATOM 0 HD12 LEU B 25 -5.235 5.121 -0.171 1.00 0.46 H new ATOM 0 HD13 LEU B 25 -5.859 4.377 1.321 1.00 0.46 H new ATOM 0 HD21 LEU B 25 -5.722 6.946 3.019 1.00 0.43 H new ATOM 0 HD22 LEU B 25 -5.161 5.348 3.567 1.00 0.43 H new ATOM 0 HD23 LEU B 25 -4.051 6.739 3.595 1.00 0.43 H new ATOM 1288 N ILE B 26 -0.188 4.075 1.571 1.00 0.20 N ATOM 1289 CA ILE B 26 0.795 3.008 1.699 1.00 0.21 C ATOM 1290 C ILE B 26 1.843 3.355 2.755 1.00 0.20 C ATOM 1291 O ILE B 26 2.107 2.561 3.662 1.00 0.22 O ATOM 1292 CB ILE B 26 1.481 2.713 0.348 1.00 0.22 C ATOM 1293 CG1 ILE B 26 0.448 2.211 -0.668 1.00 0.26 C ATOM 1294 CG2 ILE B 26 2.597 1.692 0.523 1.00 0.24 C ATOM 1295 CD1 ILE B 26 1.017 1.957 -2.047 1.00 0.27 C ATOM 0 H ILE B 26 -0.201 4.528 0.657 1.00 0.20 H new ATOM 0 HA ILE B 26 0.263 2.111 2.016 1.00 0.21 H new ATOM 0 HB ILE B 26 1.922 3.637 -0.027 1.00 0.22 H new ATOM 0 HG12 ILE B 26 0.003 1.289 -0.294 1.00 0.26 H new ATOM 0 HG13 ILE B 26 -0.355 2.943 -0.747 1.00 0.26 H new ATOM 0 HG21 ILE B 26 3.067 1.498 -0.441 1.00 0.24 H new ATOM 0 HG22 ILE B 26 3.341 2.082 1.218 1.00 0.24 H new ATOM 0 HG23 ILE B 26 2.183 0.764 0.918 1.00 0.24 H new ATOM 0 HD11 ILE B 26 0.225 1.604 -2.708 1.00 0.27 H new ATOM 0 HD12 ILE B 26 1.436 2.882 -2.444 1.00 0.27 H new ATOM 0 HD13 ILE B 26 1.800 1.202 -1.984 1.00 0.27 H new ATOM 1302 N VAL B 27 2.423 4.548 2.654 1.00 0.18 N ATOM 1303 CA VAL B 27 3.415 4.982 3.630 1.00 0.20 C ATOM 1304 C VAL B 27 2.760 5.233 4.985 1.00 0.22 C ATOM 1305 O VAL B 27 3.381 5.030 6.024 1.00 0.23 O ATOM 1306 CB VAL B 27 4.189 6.246 3.176 1.00 0.21 C ATOM 1307 CG1 VAL B 27 4.957 5.969 1.893 1.00 0.21 C ATOM 1308 CG2 VAL B 27 3.256 7.435 2.994 1.00 0.21 C ATOM 0 H VAL B 27 2.226 5.223 1.915 1.00 0.18 H new ATOM 0 HA VAL B 27 4.139 4.172 3.718 1.00 0.20 H new ATOM 0 HB VAL B 27 4.901 6.500 3.962 1.00 0.21 H new ATOM 0 HG11 VAL B 27 5.494 6.867 1.589 1.00 0.21 H new ATOM 0 HG12 VAL B 27 5.668 5.161 2.062 1.00 0.21 H new ATOM 0 HG13 VAL B 27 4.260 5.680 1.107 1.00 0.21 H new ATOM 0 HG21 VAL B 27 3.832 8.304 2.675 1.00 0.21 H new ATOM 0 HG22 VAL B 27 2.508 7.198 2.237 1.00 0.21 H new ATOM 0 HG23 VAL B 27 2.759 7.656 3.939 1.00 0.21 H new ATOM 1312 N ASN B 28 1.498 5.656 4.963 1.00 0.25 N ATOM 1313 CA ASN B 28 0.726 5.852 6.188 1.00 0.32 C ATOM 1314 C ASN B 28 0.562 4.534 6.934 1.00 0.27 C ATOM 1315 O ASN B 28 0.742 4.468 8.152 1.00 0.28 O ATOM 1316 CB ASN B 28 -0.648 6.445 5.861 1.00 0.44 C ATOM 1317 CG ASN B 28 -1.569 6.505 7.065 1.00 0.67 C ATOM 1318 OD1 ASN B 28 -2.339 5.576 7.321 1.00 1.58 O ATOM 1319 ND2 ASN B 28 -1.499 7.595 7.811 1.00 0.86 N ATOM 0 H ASN B 28 0.987 5.870 4.107 1.00 0.25 H new ATOM 0 HA ASN B 28 1.268 6.549 6.828 1.00 0.32 H new ATOM 0 HB2 ASN B 28 -0.518 7.450 5.460 1.00 0.44 H new ATOM 0 HB3 ASN B 28 -1.119 5.848 5.080 1.00 0.44 H new ATOM 0 HD21 ASN B 28 -2.096 7.690 8.633 1.00 0.86 H new ATOM 0 HD22 ASN B 28 -0.848 8.341 7.565 1.00 0.86 H new ATOM 1326 N TYR B 29 0.230 3.484 6.192 1.00 0.25 N ATOM 1327 CA TYR B 29 0.075 2.157 6.766 1.00 0.24 C ATOM 1328 C TYR B 29 1.378 1.692 7.408 1.00 0.18 C ATOM 1329 O TYR B 29 1.394 1.283 8.570 1.00 0.19 O ATOM 1330 CB TYR B 29 -0.379 1.164 5.691 1.00 0.28 C ATOM 1331 CG TYR B 29 -0.421 -0.274 6.162 1.00 0.31 C ATOM 1332 CD1 TYR B 29 -1.219 -0.655 7.234 1.00 1.20 C ATOM 1333 CD2 TYR B 29 0.344 -1.249 5.535 1.00 1.23 C ATOM 1334 CE1 TYR B 29 -1.252 -1.968 7.667 1.00 1.22 C ATOM 1335 CE2 TYR B 29 0.314 -2.561 5.960 1.00 1.25 C ATOM 1336 CZ TYR B 29 -0.483 -2.916 7.026 1.00 0.42 C ATOM 1337 OH TYR B 29 -0.506 -4.224 7.455 1.00 0.49 O ATOM 0 H TYR B 29 0.063 3.529 5.187 1.00 0.25 H new ATOM 0 HA TYR B 29 -0.689 2.203 7.542 1.00 0.24 H new ATOM 0 HB2 TYR B 29 -1.371 1.451 5.341 1.00 0.28 H new ATOM 0 HB3 TYR B 29 0.293 1.236 4.836 1.00 0.28 H new ATOM 0 HD1 TYR B 29 -1.823 0.086 7.737 1.00 1.20 H new ATOM 0 HD2 TYR B 29 0.973 -0.975 4.701 1.00 1.23 H new ATOM 0 HE1 TYR B 29 -1.876 -2.249 8.502 1.00 1.22 H new ATOM 0 HE2 TYR B 29 0.913 -3.307 5.459 1.00 1.25 H new ATOM 0 HH TYR B 29 -0.107 -4.800 6.770 1.00 0.49 H new ATOM 1347 N PHE B 30 2.472 1.776 6.660 1.00 0.16 N ATOM 1348 CA PHE B 30 3.773 1.363 7.172 1.00 0.16 C ATOM 1349 C PHE B 30 4.198 2.239 8.348 1.00 0.18 C ATOM 1350 O PHE B 30 4.792 1.753 9.312 1.00 0.21 O ATOM 1351 CB PHE B 30 4.837 1.410 6.075 1.00 0.19 C ATOM 1352 CG PHE B 30 4.630 0.421 4.961 1.00 0.19 C ATOM 1353 CD1 PHE B 30 4.180 -0.862 5.224 1.00 1.20 C ATOM 1354 CD2 PHE B 30 4.898 0.775 3.649 1.00 1.17 C ATOM 1355 CE1 PHE B 30 3.999 -1.770 4.201 1.00 1.22 C ATOM 1356 CE2 PHE B 30 4.721 -0.131 2.622 1.00 1.16 C ATOM 1357 CZ PHE B 30 4.272 -1.405 2.900 1.00 0.25 C ATOM 0 H PHE B 30 2.485 2.125 5.701 1.00 0.16 H new ATOM 0 HA PHE B 30 3.678 0.334 7.518 1.00 0.16 H new ATOM 0 HB2 PHE B 30 4.860 2.414 5.652 1.00 0.19 H new ATOM 0 HB3 PHE B 30 5.813 1.231 6.526 1.00 0.19 H new ATOM 0 HD1 PHE B 30 3.968 -1.155 6.242 1.00 1.20 H new ATOM 0 HD2 PHE B 30 5.250 1.772 3.427 1.00 1.17 H new ATOM 0 HE1 PHE B 30 3.644 -2.766 4.419 1.00 1.22 H new ATOM 0 HE2 PHE B 30 4.934 0.157 1.603 1.00 1.16 H new ATOM 0 HZ PHE B 30 4.134 -2.116 2.099 1.00 0.25 H new ATOM 1367 N SER B 31 3.884 3.529 8.264 1.00 0.21 N ATOM 1368 CA SER B 31 4.180 4.465 9.339 1.00 0.26 C ATOM 1369 C SER B 31 3.464 4.044 10.616 1.00 0.25 C ATOM 1370 O SER B 31 4.060 4.015 11.692 1.00 0.27 O ATOM 1371 CB SER B 31 3.760 5.887 8.943 1.00 0.35 C ATOM 1372 OG SER B 31 4.098 6.827 9.953 1.00 1.15 O ATOM 0 H SER B 31 3.422 3.949 7.457 1.00 0.21 H new ATOM 0 HA SER B 31 5.255 4.457 9.519 1.00 0.26 H new ATOM 0 HB2 SER B 31 4.246 6.165 8.008 1.00 0.35 H new ATOM 0 HB3 SER B 31 2.685 5.914 8.764 1.00 0.35 H new ATOM 0 HG SER B 31 3.820 7.724 9.672 1.00 1.15 H new ATOM 1378 N SER B 32 2.190 3.695 10.485 1.00 0.27 N ATOM 1379 CA SER B 32 1.399 3.248 11.619 1.00 0.30 C ATOM 1380 C SER B 32 1.987 1.965 12.205 1.00 0.28 C ATOM 1381 O SER B 32 2.053 1.805 13.426 1.00 0.36 O ATOM 1382 CB SER B 32 -0.057 3.025 11.196 1.00 0.40 C ATOM 1383 OG SER B 32 -0.880 2.727 12.312 1.00 0.99 O ATOM 0 H SER B 32 1.683 3.714 9.600 1.00 0.27 H new ATOM 0 HA SER B 32 1.423 4.021 12.387 1.00 0.30 H new ATOM 0 HB2 SER B 32 -0.432 3.916 10.693 1.00 0.40 H new ATOM 0 HB3 SER B 32 -0.107 2.208 10.476 1.00 0.40 H new ATOM 0 HG SER B 32 -1.803 2.591 12.011 1.00 0.99 H new ATOM 1389 N ILE B 33 2.430 1.068 11.326 1.00 0.24 N ATOM 1390 CA ILE B 33 3.031 -0.194 11.743 1.00 0.27 C ATOM 1391 C ILE B 33 4.247 0.038 12.637 1.00 0.26 C ATOM 1392 O ILE B 33 4.349 -0.535 13.722 1.00 0.32 O ATOM 1393 CB ILE B 33 3.460 -1.049 10.532 1.00 0.30 C ATOM 1394 CG1 ILE B 33 2.245 -1.492 9.720 1.00 0.30 C ATOM 1395 CG2 ILE B 33 4.256 -2.261 10.984 1.00 0.44 C ATOM 1396 CD1 ILE B 33 2.604 -2.388 8.554 1.00 0.34 C ATOM 0 H ILE B 33 2.383 1.195 10.315 1.00 0.24 H new ATOM 0 HA ILE B 33 2.265 -0.730 12.304 1.00 0.27 H new ATOM 0 HB ILE B 33 4.095 -0.432 9.896 1.00 0.30 H new ATOM 0 HG12 ILE B 33 1.550 -2.019 10.375 1.00 0.30 H new ATOM 0 HG13 ILE B 33 1.724 -0.610 9.346 1.00 0.30 H new ATOM 0 HG21 ILE B 33 4.548 -2.849 10.114 1.00 0.44 H new ATOM 0 HG22 ILE B 33 5.149 -1.932 11.516 1.00 0.44 H new ATOM 0 HG23 ILE B 33 3.643 -2.872 11.646 1.00 0.44 H new ATOM 0 HD11 ILE B 33 1.697 -2.668 8.018 1.00 0.34 H new ATOM 0 HD12 ILE B 33 3.275 -1.856 7.880 1.00 0.34 H new ATOM 0 HD13 ILE B 33 3.098 -3.286 8.924 1.00 0.34 H new ATOM 1403 N VAL B 34 5.164 0.880 12.187 1.00 0.25 N ATOM 1404 CA VAL B 34 6.396 1.123 12.928 1.00 0.31 C ATOM 1405 C VAL B 34 6.149 2.044 14.122 1.00 0.37 C ATOM 1406 O VAL B 34 6.933 2.071 15.070 1.00 0.47 O ATOM 1407 CB VAL B 34 7.500 1.720 12.026 1.00 0.34 C ATOM 1408 CG1 VAL B 34 7.818 0.774 10.880 1.00 0.35 C ATOM 1409 CG2 VAL B 34 7.097 3.088 11.493 1.00 0.33 C ATOM 0 H VAL B 34 5.081 1.405 11.317 1.00 0.25 H new ATOM 0 HA VAL B 34 6.740 0.155 13.293 1.00 0.31 H new ATOM 0 HB VAL B 34 8.397 1.848 12.632 1.00 0.34 H new ATOM 0 HG11 VAL B 34 8.597 1.209 10.254 1.00 0.35 H new ATOM 0 HG12 VAL B 34 8.164 -0.179 11.280 1.00 0.35 H new ATOM 0 HG13 VAL B 34 6.921 0.612 10.282 1.00 0.35 H new ATOM 0 HG21 VAL B 34 7.894 3.482 10.862 1.00 0.33 H new ATOM 0 HG22 VAL B 34 6.183 2.995 10.907 1.00 0.33 H new ATOM 0 HG23 VAL B 34 6.926 3.768 12.328 1.00 0.33 H new ATOM 1413 N GLU B 35 5.047 2.779 14.075 1.00 0.35 N ATOM 1414 CA GLU B 35 4.700 3.709 15.138 1.00 0.46 C ATOM 1415 C GLU B 35 4.242 2.965 16.386 1.00 0.51 C ATOM 1416 O GLU B 35 4.815 3.134 17.462 1.00 0.62 O ATOM 1417 CB GLU B 35 3.605 4.662 14.660 1.00 0.51 C ATOM 1418 CG GLU B 35 3.211 5.710 15.681 1.00 0.70 C ATOM 1419 CD GLU B 35 2.212 6.698 15.126 1.00 1.49 C ATOM 1420 OE1 GLU B 35 0.996 6.428 15.203 1.00 2.19 O ATOM 1421 OE2 GLU B 35 2.638 7.747 14.604 1.00 2.22 O ATOM 0 H GLU B 35 4.376 2.748 13.308 1.00 0.35 H new ATOM 0 HA GLU B 35 5.589 4.285 15.394 1.00 0.46 H new ATOM 0 HB2 GLU B 35 3.944 5.163 13.753 1.00 0.51 H new ATOM 0 HB3 GLU B 35 2.723 4.080 14.393 1.00 0.51 H new ATOM 0 HG2 GLU B 35 2.787 5.220 16.557 1.00 0.70 H new ATOM 0 HG3 GLU B 35 4.101 6.244 16.014 1.00 0.70 H new ATOM 1428 N LYS B 36 3.223 2.126 16.239 1.00 0.47 N ATOM 1429 CA LYS B 36 2.669 1.402 17.379 1.00 0.55 C ATOM 1430 C LYS B 36 3.322 0.031 17.540 1.00 0.51 C ATOM 1431 O LYS B 36 2.947 -0.748 18.417 1.00 0.61 O ATOM 1432 CB LYS B 36 1.151 1.256 17.236 1.00 0.67 C ATOM 1433 CG LYS B 36 0.723 0.571 15.949 1.00 0.71 C ATOM 1434 CD LYS B 36 -0.790 0.532 15.802 1.00 0.98 C ATOM 1435 CE LYS B 36 -1.439 -0.340 16.864 1.00 1.42 C ATOM 1436 NZ LYS B 36 -2.919 -0.341 16.746 1.00 2.08 N ATOM 0 H LYS B 36 2.766 1.930 15.348 1.00 0.47 H new ATOM 0 HA LYS B 36 2.884 1.982 18.276 1.00 0.55 H new ATOM 0 HB2 LYS B 36 0.768 0.689 18.084 1.00 0.67 H new ATOM 0 HB3 LYS B 36 0.694 2.244 17.281 1.00 0.67 H new ATOM 0 HG2 LYS B 36 1.157 1.095 15.097 1.00 0.71 H new ATOM 0 HG3 LYS B 36 1.116 -0.446 15.931 1.00 0.71 H new ATOM 0 HD2 LYS B 36 -1.188 1.544 15.870 1.00 0.98 H new ATOM 0 HD3 LYS B 36 -1.049 0.154 14.813 1.00 0.98 H new ATOM 0 HE2 LYS B 36 -1.066 -1.360 16.774 1.00 1.42 H new ATOM 0 HE3 LYS B 36 -1.153 0.018 17.853 1.00 1.42 H new ATOM 0 HZ1 LYS B 36 -3.326 -0.947 17.487 1.00 2.08 H new ATOM 0 HZ2 LYS B 36 -3.277 0.629 16.857 1.00 2.08 H new ATOM 0 HZ3 LYS B 36 -3.193 -0.706 15.811 1.00 2.08 H new ATOM 1450 N LYS B 37 4.301 -0.238 16.676 1.00 0.48 N ATOM 1451 CA LYS B 37 5.062 -1.487 16.689 1.00 0.55 C ATOM 1452 C LYS B 37 4.165 -2.689 16.393 1.00 0.59 C ATOM 1453 O LYS B 37 3.768 -3.429 17.289 1.00 0.76 O ATOM 1454 CB LYS B 37 5.797 -1.666 18.023 1.00 0.72 C ATOM 1455 CG LYS B 37 6.699 -2.891 18.069 1.00 1.19 C ATOM 1456 CD LYS B 37 7.528 -2.938 19.344 1.00 1.42 C ATOM 1457 CE LYS B 37 8.820 -2.136 19.224 1.00 1.99 C ATOM 1458 NZ LYS B 37 8.586 -0.686 18.987 1.00 2.60 N ATOM 0 H LYS B 37 4.590 0.409 15.943 1.00 0.48 H new ATOM 0 HA LYS B 37 5.808 -1.429 15.896 1.00 0.55 H new ATOM 0 HB2 LYS B 37 6.397 -0.777 18.218 1.00 0.72 H new ATOM 0 HB3 LYS B 37 5.062 -1.737 18.825 1.00 0.72 H new ATOM 0 HG2 LYS B 37 6.091 -3.793 17.998 1.00 1.19 H new ATOM 0 HG3 LYS B 37 7.363 -2.886 17.204 1.00 1.19 H new ATOM 0 HD2 LYS B 37 6.937 -2.549 20.173 1.00 1.42 H new ATOM 0 HD3 LYS B 37 7.767 -3.975 19.581 1.00 1.42 H new ATOM 0 HE2 LYS B 37 9.404 -2.260 20.136 1.00 1.99 H new ATOM 0 HE3 LYS B 37 9.417 -2.540 18.407 1.00 1.99 H new ATOM 0 HZ1 LYS B 37 9.439 -0.150 19.246 1.00 2.60 H new ATOM 0 HZ2 LYS B 37 8.371 -0.529 17.982 1.00 2.60 H new ATOM 0 HZ3 LYS B 37 7.785 -0.364 19.567 1.00 2.60 H new ATOM 1472 N GLU B 38 3.848 -2.863 15.120 1.00 0.54 N ATOM 1473 CA GLU B 38 3.056 -3.998 14.666 1.00 0.69 C ATOM 1474 C GLU B 38 3.932 -4.958 13.881 1.00 0.69 C ATOM 1475 O GLU B 38 3.467 -5.979 13.372 1.00 1.03 O ATOM 1476 CB GLU B 38 1.894 -3.521 13.795 1.00 0.79 C ATOM 1477 CG GLU B 38 0.732 -2.954 14.587 1.00 1.35 C ATOM 1478 CD GLU B 38 0.021 -4.019 15.391 1.00 1.41 C ATOM 1479 OE1 GLU B 38 -0.783 -4.769 14.800 1.00 2.11 O ATOM 1480 OE2 GLU B 38 0.266 -4.121 16.609 1.00 1.86 O ATOM 0 H GLU B 38 4.130 -2.226 14.375 1.00 0.54 H new ATOM 0 HA GLU B 38 2.651 -4.514 15.537 1.00 0.69 H new ATOM 0 HB2 GLU B 38 2.258 -2.760 13.105 1.00 0.79 H new ATOM 0 HB3 GLU B 38 1.538 -4.355 13.191 1.00 0.79 H new ATOM 0 HG2 GLU B 38 1.096 -2.176 15.258 1.00 1.35 H new ATOM 0 HG3 GLU B 38 0.025 -2.482 13.905 1.00 1.35 H new ATOM 1487 N ILE B 39 5.204 -4.613 13.790 1.00 0.42 N ATOM 1488 CA ILE B 39 6.157 -5.392 13.023 1.00 0.43 C ATOM 1489 C ILE B 39 7.437 -5.596 13.835 1.00 0.48 C ATOM 1490 O ILE B 39 7.617 -4.962 14.877 1.00 0.52 O ATOM 1491 CB ILE B 39 6.467 -4.680 11.688 1.00 0.38 C ATOM 1492 CG1 ILE B 39 7.057 -5.650 10.666 1.00 0.46 C ATOM 1493 CG2 ILE B 39 7.406 -3.500 11.912 1.00 0.36 C ATOM 1494 CD1 ILE B 39 7.178 -5.052 9.283 1.00 0.47 C ATOM 0 H ILE B 39 5.603 -3.790 14.243 1.00 0.42 H new ATOM 0 HA ILE B 39 5.727 -6.369 12.802 1.00 0.43 H new ATOM 0 HB ILE B 39 5.527 -4.302 11.286 1.00 0.38 H new ATOM 0 HG12 ILE B 39 8.042 -5.970 11.004 1.00 0.46 H new ATOM 0 HG13 ILE B 39 6.432 -6.541 10.617 1.00 0.46 H new ATOM 0 HG21 ILE B 39 7.611 -3.013 10.959 1.00 0.36 H new ATOM 0 HG22 ILE B 39 6.939 -2.787 12.591 1.00 0.36 H new ATOM 0 HG23 ILE B 39 8.340 -3.856 12.346 1.00 0.36 H new ATOM 0 HD11 ILE B 39 7.603 -5.790 8.603 1.00 0.47 H new ATOM 0 HD12 ILE B 39 6.191 -4.757 8.927 1.00 0.47 H new ATOM 0 HD13 ILE B 39 7.827 -4.177 9.320 1.00 0.47 H new ATOM 1501 N SER B 40 8.309 -6.479 13.368 1.00 0.55 N ATOM 1502 CA SER B 40 9.551 -6.772 14.062 1.00 0.62 C ATOM 1503 C SER B 40 10.537 -5.613 13.934 1.00 0.53 C ATOM 1504 O SER B 40 10.352 -4.728 13.094 1.00 0.48 O ATOM 1505 CB SER B 40 10.169 -8.049 13.494 1.00 0.77 C ATOM 1506 OG SER B 40 10.343 -7.942 12.090 1.00 1.82 O ATOM 0 H SER B 40 8.176 -7.007 12.505 1.00 0.55 H new ATOM 0 HA SER B 40 9.330 -6.914 15.120 1.00 0.62 H new ATOM 0 HB2 SER B 40 11.131 -8.236 13.971 1.00 0.77 H new ATOM 0 HB3 SER B 40 9.529 -8.901 13.722 1.00 0.77 H new ATOM 0 HG SER B 40 10.741 -8.769 11.746 1.00 1.82 H new ATOM 1512 N GLU B 41 11.575 -5.616 14.760 1.00 0.59 N ATOM 1513 CA GLU B 41 12.592 -4.572 14.715 1.00 0.60 C ATOM 1514 C GLU B 41 13.207 -4.484 13.319 1.00 0.49 C ATOM 1515 O GLU B 41 13.329 -3.399 12.746 1.00 0.46 O ATOM 1516 CB GLU B 41 13.698 -4.829 15.747 1.00 0.78 C ATOM 1517 CG GLU B 41 13.215 -4.893 17.190 1.00 1.08 C ATOM 1518 CD GLU B 41 12.497 -6.184 17.516 1.00 1.44 C ATOM 1519 OE1 GLU B 41 13.173 -7.217 17.695 1.00 1.99 O ATOM 1520 OE2 GLU B 41 11.252 -6.177 17.587 1.00 2.19 O ATOM 0 H GLU B 41 11.736 -6.330 15.470 1.00 0.59 H new ATOM 0 HA GLU B 41 12.105 -3.627 14.955 1.00 0.60 H new ATOM 0 HB2 GLU B 41 14.195 -5.768 15.502 1.00 0.78 H new ATOM 0 HB3 GLU B 41 14.446 -4.041 15.663 1.00 0.78 H new ATOM 0 HG2 GLU B 41 14.068 -4.780 17.858 1.00 1.08 H new ATOM 0 HG3 GLU B 41 12.547 -4.054 17.381 1.00 1.08 H new ATOM 1527 N ASP B 42 13.574 -5.639 12.774 1.00 0.52 N ATOM 1528 CA ASP B 42 14.169 -5.707 11.442 1.00 0.51 C ATOM 1529 C ASP B 42 13.170 -5.274 10.376 1.00 0.43 C ATOM 1530 O ASP B 42 13.521 -4.549 9.444 1.00 0.47 O ATOM 1531 CB ASP B 42 14.662 -7.123 11.144 1.00 0.61 C ATOM 1532 CG ASP B 42 15.210 -7.261 9.738 1.00 1.49 C ATOM 1533 OD1 ASP B 42 16.329 -6.772 9.480 1.00 2.20 O ATOM 1534 OD2 ASP B 42 14.532 -7.867 8.886 1.00 2.29 O ATOM 0 H ASP B 42 13.470 -6.543 13.234 1.00 0.52 H new ATOM 0 HA ASP B 42 15.018 -5.024 11.422 1.00 0.51 H new ATOM 0 HB2 ASP B 42 15.437 -7.393 11.861 1.00 0.61 H new ATOM 0 HB3 ASP B 42 13.841 -7.827 11.282 1.00 0.61 H new ATOM 1539 N GLY B 43 11.925 -5.713 10.527 1.00 0.39 N ATOM 1540 CA GLY B 43 10.887 -5.340 9.586 1.00 0.37 C ATOM 1541 C GLY B 43 10.627 -3.848 9.583 1.00 0.34 C ATOM 1542 O GLY B 43 10.358 -3.258 8.539 1.00 0.34 O ATOM 0 H GLY B 43 11.617 -6.321 11.286 1.00 0.39 H new ATOM 0 HA2 GLY B 43 11.175 -5.659 8.584 1.00 0.37 H new ATOM 0 HA3 GLY B 43 9.966 -5.867 9.836 1.00 0.37 H new ATOM 1546 N ALA B 44 10.711 -3.234 10.754 1.00 0.33 N ATOM 1547 CA ALA B 44 10.531 -1.796 10.871 1.00 0.33 C ATOM 1548 C ALA B 44 11.692 -1.057 10.215 1.00 0.32 C ATOM 1549 O ALA B 44 11.522 0.019 9.638 1.00 0.31 O ATOM 1550 CB ALA B 44 10.406 -1.398 12.334 1.00 0.38 C ATOM 0 H ALA B 44 10.903 -3.710 11.636 1.00 0.33 H new ATOM 0 HA ALA B 44 9.612 -1.518 10.355 1.00 0.33 H new ATOM 0 HB1 ALA B 44 10.272 -0.319 12.407 1.00 0.38 H new ATOM 0 HB2 ALA B 44 9.546 -1.902 12.776 1.00 0.38 H new ATOM 0 HB3 ALA B 44 11.311 -1.688 12.869 1.00 0.38 H new ATOM 1556 N ASP B 45 12.872 -1.654 10.306 1.00 0.36 N ATOM 1557 CA ASP B 45 14.083 -1.082 9.728 1.00 0.38 C ATOM 1558 C ASP B 45 14.026 -1.093 8.205 1.00 0.36 C ATOM 1559 O ASP B 45 14.345 -0.095 7.550 1.00 0.37 O ATOM 1560 CB ASP B 45 15.309 -1.859 10.210 1.00 0.48 C ATOM 1561 CG ASP B 45 16.590 -1.417 9.536 1.00 1.11 C ATOM 1562 OD1 ASP B 45 17.160 -0.387 9.951 1.00 1.84 O ATOM 1563 OD2 ASP B 45 17.036 -2.105 8.596 1.00 1.81 O ATOM 0 H ASP B 45 13.018 -2.545 10.780 1.00 0.36 H new ATOM 0 HA ASP B 45 14.158 -0.046 10.057 1.00 0.38 H new ATOM 0 HB2 ASP B 45 15.410 -1.735 11.288 1.00 0.48 H new ATOM 0 HB3 ASP B 45 15.155 -2.922 10.024 1.00 0.48 H new ATOM 1568 N SER B 46 13.607 -2.219 7.645 1.00 0.37 N ATOM 1569 CA SER B 46 13.519 -2.359 6.202 1.00 0.40 C ATOM 1570 C SER B 46 12.419 -1.461 5.640 1.00 0.36 C ATOM 1571 O SER B 46 12.551 -0.915 4.544 1.00 0.38 O ATOM 1572 CB SER B 46 13.282 -3.824 5.832 1.00 0.50 C ATOM 1573 OG SER B 46 12.226 -4.379 6.592 1.00 0.98 O ATOM 0 H SER B 46 13.323 -3.047 8.169 1.00 0.37 H new ATOM 0 HA SER B 46 14.463 -2.042 5.758 1.00 0.40 H new ATOM 0 HB2 SER B 46 13.049 -3.900 4.770 1.00 0.50 H new ATOM 0 HB3 SER B 46 14.194 -4.396 6.000 1.00 0.50 H new ATOM 0 HG SER B 46 11.739 -3.661 7.049 1.00 0.98 H new ATOM 1579 N LEU B 47 11.345 -1.289 6.405 1.00 0.32 N ATOM 1580 CA LEU B 47 10.272 -0.381 6.016 1.00 0.30 C ATOM 1581 C LEU B 47 10.776 1.053 5.906 1.00 0.27 C ATOM 1582 O LEU B 47 10.256 1.837 5.118 1.00 0.28 O ATOM 1583 CB LEU B 47 9.109 -0.443 7.009 1.00 0.30 C ATOM 1584 CG LEU B 47 8.217 -1.681 6.896 1.00 0.35 C ATOM 1585 CD1 LEU B 47 7.108 -1.634 7.936 1.00 0.39 C ATOM 1586 CD2 LEU B 47 7.630 -1.787 5.497 1.00 0.41 C ATOM 0 H LEU B 47 11.195 -1.765 7.295 1.00 0.32 H new ATOM 0 HA LEU B 47 9.916 -0.703 5.037 1.00 0.30 H new ATOM 0 HB2 LEU B 47 9.514 -0.398 8.020 1.00 0.30 H new ATOM 0 HB3 LEU B 47 8.490 0.444 6.874 1.00 0.30 H new ATOM 0 HG LEU B 47 8.827 -2.565 7.082 1.00 0.35 H new ATOM 0 HD11 LEU B 47 6.483 -2.522 7.842 1.00 0.39 H new ATOM 0 HD12 LEU B 47 7.546 -1.603 8.934 1.00 0.39 H new ATOM 0 HD13 LEU B 47 6.499 -0.743 7.779 1.00 0.39 H new ATOM 0 HD21 LEU B 47 6.998 -2.673 5.434 1.00 0.41 H new ATOM 0 HD22 LEU B 47 7.033 -0.900 5.285 1.00 0.41 H new ATOM 0 HD23 LEU B 47 8.437 -1.864 4.769 1.00 0.41 H new ATOM 1598 N ASN B 48 11.794 1.387 6.690 1.00 0.26 N ATOM 1599 CA ASN B 48 12.367 2.727 6.665 1.00 0.26 C ATOM 1600 C ASN B 48 13.010 3.027 5.316 1.00 0.27 C ATOM 1601 O ASN B 48 12.630 3.987 4.645 1.00 0.32 O ATOM 1602 CB ASN B 48 13.397 2.903 7.782 1.00 0.28 C ATOM 1603 CG ASN B 48 12.768 3.058 9.154 1.00 0.33 C ATOM 1604 OD1 ASN B 48 13.308 2.577 10.149 1.00 0.48 O ATOM 1605 ND2 ASN B 48 11.646 3.760 9.228 1.00 0.40 N ATOM 0 H ASN B 48 12.239 0.749 7.350 1.00 0.26 H new ATOM 0 HA ASN B 48 11.552 3.432 6.825 1.00 0.26 H new ATOM 0 HB2 ASN B 48 14.065 2.042 7.791 1.00 0.28 H new ATOM 0 HB3 ASN B 48 14.009 3.779 7.569 1.00 0.28 H new ATOM 0 HD21 ASN B 48 11.201 3.917 10.132 1.00 0.40 H new ATOM 0 HD22 ASN B 48 11.227 4.143 8.381 1.00 0.40 H new ATOM 1612 N VAL B 49 13.970 2.196 4.908 1.00 0.27 N ATOM 1613 CA VAL B 49 14.640 2.397 3.620 1.00 0.29 C ATOM 1614 C VAL B 49 13.644 2.250 2.470 1.00 0.29 C ATOM 1615 O VAL B 49 13.741 2.941 1.452 1.00 0.32 O ATOM 1616 CB VAL B 49 15.835 1.426 3.418 1.00 0.32 C ATOM 1617 CG1 VAL B 49 15.390 -0.027 3.462 1.00 0.34 C ATOM 1618 CG2 VAL B 49 16.558 1.721 2.108 1.00 0.36 C ATOM 0 H VAL B 49 14.298 1.390 5.440 1.00 0.27 H new ATOM 0 HA VAL B 49 15.041 3.411 3.624 1.00 0.29 H new ATOM 0 HB VAL B 49 16.528 1.588 4.243 1.00 0.32 H new ATOM 0 HG11 VAL B 49 16.253 -0.676 3.317 1.00 0.34 H new ATOM 0 HG12 VAL B 49 14.935 -0.239 4.429 1.00 0.34 H new ATOM 0 HG13 VAL B 49 14.662 -0.209 2.671 1.00 0.34 H new ATOM 0 HG21 VAL B 49 17.391 1.028 1.988 1.00 0.36 H new ATOM 0 HG22 VAL B 49 15.865 1.602 1.275 1.00 0.36 H new ATOM 0 HG23 VAL B 49 16.935 2.743 2.123 1.00 0.36 H new ATOM 1622 N ALA B 50 12.668 1.369 2.652 1.00 0.30 N ATOM 1623 CA ALA B 50 11.617 1.177 1.667 1.00 0.34 C ATOM 1624 C ALA B 50 10.775 2.436 1.531 1.00 0.33 C ATOM 1625 O ALA B 50 10.384 2.815 0.432 1.00 0.37 O ATOM 1626 CB ALA B 50 10.739 -0.003 2.048 1.00 0.37 C ATOM 0 H ALA B 50 12.585 0.775 3.477 1.00 0.30 H new ATOM 0 HA ALA B 50 12.085 0.967 0.705 1.00 0.34 H new ATOM 0 HB1 ALA B 50 9.958 -0.132 1.299 1.00 0.37 H new ATOM 0 HB2 ALA B 50 11.346 -0.907 2.098 1.00 0.37 H new ATOM 0 HB3 ALA B 50 10.283 0.182 3.020 1.00 0.37 H new ATOM 1632 N MET B 51 10.519 3.091 2.656 1.00 0.34 N ATOM 1633 CA MET B 51 9.681 4.280 2.680 1.00 0.39 C ATOM 1634 C MET B 51 10.374 5.444 1.994 1.00 0.31 C ATOM 1635 O MET B 51 9.727 6.254 1.328 1.00 0.30 O ATOM 1636 CB MET B 51 9.327 4.645 4.115 1.00 0.52 C ATOM 1637 CG MET B 51 8.225 5.681 4.225 1.00 0.62 C ATOM 1638 SD MET B 51 7.428 5.646 5.838 1.00 0.65 S ATOM 1639 CE MET B 51 7.050 3.900 5.954 1.00 0.41 C ATOM 0 H MET B 51 10.883 2.816 3.568 1.00 0.34 H new ATOM 0 HA MET B 51 8.762 4.063 2.135 1.00 0.39 H new ATOM 0 HB2 MET B 51 9.020 3.743 4.645 1.00 0.52 H new ATOM 0 HB3 MET B 51 10.219 5.021 4.616 1.00 0.52 H new ATOM 0 HG2 MET B 51 8.640 6.673 4.047 1.00 0.62 H new ATOM 0 HG3 MET B 51 7.481 5.503 3.449 1.00 0.62 H new ATOM 0 HE1 MET B 51 6.239 3.750 6.666 1.00 0.41 H new ATOM 0 HE2 MET B 51 6.747 3.527 4.975 1.00 0.41 H new ATOM 0 HE3 MET B 51 7.934 3.358 6.291 1.00 0.41 H new ATOM 1649 N ASP B 52 11.690 5.523 2.159 1.00 0.31 N ATOM 1650 CA ASP B 52 12.483 6.510 1.435 1.00 0.32 C ATOM 1651 C ASP B 52 12.303 6.298 -0.057 1.00 0.28 C ATOM 1652 O ASP B 52 12.151 7.249 -0.823 1.00 0.30 O ATOM 1653 CB ASP B 52 13.971 6.411 1.790 1.00 0.42 C ATOM 1654 CG ASP B 52 14.274 6.813 3.219 1.00 1.16 C ATOM 1655 OD1 ASP B 52 13.730 7.836 3.685 1.00 1.99 O ATOM 1656 OD2 ASP B 52 15.078 6.120 3.878 1.00 1.84 O ATOM 0 H ASP B 52 12.227 4.920 2.783 1.00 0.31 H new ATOM 0 HA ASP B 52 12.136 7.502 1.722 1.00 0.32 H new ATOM 0 HB2 ASP B 52 14.309 5.387 1.628 1.00 0.42 H new ATOM 0 HB3 ASP B 52 14.542 7.046 1.112 1.00 0.42 H new ATOM 1661 N CYS B 53 12.295 5.032 -0.448 1.00 0.27 N ATOM 1662 CA CYS B 53 12.089 4.649 -1.831 1.00 0.27 C ATOM 1663 C CYS B 53 10.684 5.022 -2.299 1.00 0.28 C ATOM 1664 O CYS B 53 10.535 5.697 -3.309 1.00 0.36 O ATOM 1665 CB CYS B 53 12.320 3.148 -1.991 1.00 0.36 C ATOM 1666 SG CYS B 53 13.980 2.608 -1.522 1.00 1.05 S ATOM 0 H CYS B 53 12.431 4.245 0.186 1.00 0.27 H new ATOM 0 HA CYS B 53 12.804 5.190 -2.450 1.00 0.27 H new ATOM 0 HB2 CYS B 53 11.589 2.611 -1.386 1.00 0.36 H new ATOM 0 HB3 CYS B 53 12.138 2.871 -3.029 1.00 0.36 H new ATOM 0 HG CYS B 53 14.095 2.633 -0.227 1.00 1.05 H new ATOM 1672 N ILE B 54 9.663 4.597 -1.547 1.00 0.26 N ATOM 1673 CA ILE B 54 8.267 4.876 -1.902 1.00 0.29 C ATOM 1674 C ILE B 54 8.062 6.369 -2.142 1.00 0.30 C ATOM 1675 O ILE B 54 7.562 6.782 -3.190 1.00 0.33 O ATOM 1676 CB ILE B 54 7.280 4.429 -0.794 1.00 0.29 C ATOM 1677 CG1 ILE B 54 7.510 2.966 -0.402 1.00 0.31 C ATOM 1678 CG2 ILE B 54 5.842 4.624 -1.266 1.00 0.33 C ATOM 1679 CD1 ILE B 54 6.717 2.529 0.817 1.00 0.33 C ATOM 0 H ILE B 54 9.777 4.058 -0.688 1.00 0.26 H new ATOM 0 HA ILE B 54 8.062 4.309 -2.810 1.00 0.29 H new ATOM 0 HB ILE B 54 7.458 5.046 0.087 1.00 0.29 H new ATOM 0 HG12 ILE B 54 7.245 2.327 -1.245 1.00 0.31 H new ATOM 0 HG13 ILE B 54 8.572 2.814 -0.208 1.00 0.31 H new ATOM 0 HG21 ILE B 54 5.155 4.307 -0.481 1.00 0.33 H new ATOM 0 HG22 ILE B 54 5.673 5.677 -1.493 1.00 0.33 H new ATOM 0 HG23 ILE B 54 5.669 4.028 -2.162 1.00 0.33 H new ATOM 0 HD11 ILE B 54 6.931 1.482 1.034 1.00 0.33 H new ATOM 0 HD12 ILE B 54 6.998 3.142 1.673 1.00 0.33 H new ATOM 0 HD13 ILE B 54 5.652 2.648 0.620 1.00 0.33 H new ATOM 1686 N SER B 55 8.472 7.168 -1.168 1.00 0.30 N ATOM 1687 CA SER B 55 8.288 8.609 -1.221 1.00 0.36 C ATOM 1688 C SER B 55 9.019 9.214 -2.419 1.00 0.38 C ATOM 1689 O SER B 55 8.432 9.963 -3.203 1.00 0.41 O ATOM 1690 CB SER B 55 8.788 9.236 0.082 1.00 0.40 C ATOM 1691 OG SER B 55 8.202 8.600 1.207 1.00 0.80 O ATOM 0 H SER B 55 8.939 6.837 -0.324 1.00 0.30 H new ATOM 0 HA SER B 55 7.225 8.821 -1.340 1.00 0.36 H new ATOM 0 HB2 SER B 55 9.873 9.153 0.137 1.00 0.40 H new ATOM 0 HB3 SER B 55 8.548 10.299 0.094 1.00 0.40 H new ATOM 0 HG SER B 55 8.680 7.766 1.397 1.00 0.80 H new ATOM 1697 N GLU B 56 10.288 8.859 -2.578 1.00 0.39 N ATOM 1698 CA GLU B 56 11.122 9.428 -3.631 1.00 0.48 C ATOM 1699 C GLU B 56 10.670 8.955 -5.014 1.00 0.42 C ATOM 1700 O GLU B 56 10.753 9.700 -5.994 1.00 0.45 O ATOM 1701 CB GLU B 56 12.580 9.043 -3.393 1.00 0.59 C ATOM 1702 CG GLU B 56 13.558 9.728 -4.329 1.00 0.82 C ATOM 1703 CD GLU B 56 14.980 9.290 -4.084 1.00 1.81 C ATOM 1704 OE1 GLU B 56 15.642 9.873 -3.202 1.00 2.66 O ATOM 1705 OE2 GLU B 56 15.444 8.353 -4.764 1.00 2.38 O ATOM 0 H GLU B 56 10.764 8.177 -1.988 1.00 0.39 H new ATOM 0 HA GLU B 56 11.022 10.513 -3.601 1.00 0.48 H new ATOM 0 HB2 GLU B 56 12.846 9.286 -2.364 1.00 0.59 H new ATOM 0 HB3 GLU B 56 12.683 7.963 -3.503 1.00 0.59 H new ATOM 0 HG2 GLU B 56 13.285 9.509 -5.361 1.00 0.82 H new ATOM 0 HG3 GLU B 56 13.485 10.808 -4.202 1.00 0.82 H new ATOM 1712 N ALA B 57 10.191 7.719 -5.083 1.00 0.38 N ATOM 1713 CA ALA B 57 9.740 7.134 -6.339 1.00 0.39 C ATOM 1714 C ALA B 57 8.531 7.880 -6.892 1.00 0.33 C ATOM 1715 O ALA B 57 8.431 8.117 -8.095 1.00 0.38 O ATOM 1716 CB ALA B 57 9.412 5.662 -6.148 1.00 0.41 C ATOM 0 H ALA B 57 10.105 7.099 -4.278 1.00 0.38 H new ATOM 0 HA ALA B 57 10.550 7.224 -7.063 1.00 0.39 H new ATOM 0 HB1 ALA B 57 9.076 5.238 -7.095 1.00 0.41 H new ATOM 0 HB2 ALA B 57 10.302 5.132 -5.808 1.00 0.41 H new ATOM 0 HB3 ALA B 57 8.622 5.559 -5.404 1.00 0.41 H new ATOM 1722 N PHE B 58 7.614 8.251 -6.008 1.00 0.28 N ATOM 1723 CA PHE B 58 6.421 8.982 -6.414 1.00 0.27 C ATOM 1724 C PHE B 58 6.688 10.482 -6.470 1.00 0.30 C ATOM 1725 O PHE B 58 6.034 11.213 -7.213 1.00 0.38 O ATOM 1726 CB PHE B 58 5.257 8.686 -5.470 1.00 0.27 C ATOM 1727 CG PHE B 58 4.659 7.320 -5.656 1.00 0.25 C ATOM 1728 CD1 PHE B 58 5.307 6.192 -5.183 1.00 1.24 C ATOM 1729 CD2 PHE B 58 3.443 7.168 -6.302 1.00 1.18 C ATOM 1730 CE1 PHE B 58 4.756 4.937 -5.352 1.00 1.21 C ATOM 1731 CE2 PHE B 58 2.887 5.916 -6.473 1.00 1.22 C ATOM 1732 CZ PHE B 58 3.543 4.799 -5.997 1.00 0.29 C ATOM 0 H PHE B 58 7.673 8.058 -5.008 1.00 0.28 H new ATOM 0 HA PHE B 58 6.151 8.646 -7.415 1.00 0.27 H new ATOM 0 HB2 PHE B 58 5.602 8.785 -4.441 1.00 0.27 H new ATOM 0 HB3 PHE B 58 4.480 9.436 -5.619 1.00 0.27 H new ATOM 0 HD1 PHE B 58 6.255 6.295 -4.676 1.00 1.24 H new ATOM 0 HD2 PHE B 58 2.924 8.038 -6.676 1.00 1.18 H new ATOM 0 HE1 PHE B 58 5.273 4.065 -4.980 1.00 1.21 H new ATOM 0 HE2 PHE B 58 1.939 5.811 -6.979 1.00 1.22 H new ATOM 0 HZ PHE B 58 3.109 3.819 -6.129 1.00 0.29 H new ATOM 1742 N GLY B 59 7.650 10.935 -5.677 1.00 0.33 N ATOM 1743 CA GLY B 59 8.052 12.325 -5.721 1.00 0.38 C ATOM 1744 C GLY B 59 7.452 13.155 -4.604 1.00 0.37 C ATOM 1745 O GLY B 59 7.081 14.311 -4.814 1.00 0.42 O ATOM 0 H GLY B 59 8.159 10.363 -5.003 1.00 0.33 H new ATOM 0 HA2 GLY B 59 9.139 12.384 -5.665 1.00 0.38 H new ATOM 0 HA3 GLY B 59 7.758 12.751 -6.680 1.00 0.38 H new ATOM 1749 N PHE B 60 7.354 12.576 -3.416 1.00 0.35 N ATOM 1750 CA PHE B 60 6.847 13.299 -2.256 1.00 0.39 C ATOM 1751 C PHE B 60 7.661 12.930 -1.024 1.00 0.39 C ATOM 1752 O PHE B 60 8.522 12.056 -1.084 1.00 0.42 O ATOM 1753 CB PHE B 60 5.356 13.000 -2.023 1.00 0.40 C ATOM 1754 CG PHE B 60 5.062 11.614 -1.506 1.00 0.30 C ATOM 1755 CD1 PHE B 60 4.963 10.539 -2.372 1.00 1.21 C ATOM 1756 CD2 PHE B 60 4.870 11.395 -0.150 1.00 1.19 C ATOM 1757 CE1 PHE B 60 4.683 9.271 -1.895 1.00 1.19 C ATOM 1758 CE2 PHE B 60 4.592 10.131 0.331 1.00 1.23 C ATOM 1759 CZ PHE B 60 4.497 9.068 -0.543 1.00 0.33 C ATOM 0 H PHE B 60 7.618 11.609 -3.229 1.00 0.35 H new ATOM 0 HA PHE B 60 6.946 14.368 -2.445 1.00 0.39 H new ATOM 0 HB2 PHE B 60 4.960 13.728 -1.315 1.00 0.40 H new ATOM 0 HB3 PHE B 60 4.820 13.144 -2.961 1.00 0.40 H new ATOM 0 HD1 PHE B 60 5.106 10.692 -3.432 1.00 1.21 H new ATOM 0 HD2 PHE B 60 4.939 12.224 0.539 1.00 1.19 H new ATOM 0 HE1 PHE B 60 4.610 8.440 -2.581 1.00 1.19 H new ATOM 0 HE2 PHE B 60 4.449 9.975 1.390 1.00 1.23 H new ATOM 0 HZ PHE B 60 4.277 8.079 -0.170 1.00 0.33 H new ATOM 1769 N GLU B 61 7.398 13.603 0.084 1.00 0.47 N ATOM 1770 CA GLU B 61 8.086 13.311 1.332 1.00 0.55 C ATOM 1771 C GLU B 61 7.085 12.913 2.410 1.00 0.50 C ATOM 1772 O GLU B 61 5.947 13.379 2.421 1.00 0.47 O ATOM 1773 CB GLU B 61 8.903 14.523 1.781 1.00 0.70 C ATOM 1774 CG GLU B 61 9.972 14.933 0.782 1.00 0.80 C ATOM 1775 CD GLU B 61 10.880 16.021 1.311 1.00 1.48 C ATOM 1776 OE1 GLU B 61 10.525 17.211 1.184 1.00 2.06 O ATOM 1777 OE2 GLU B 61 11.955 15.693 1.861 1.00 2.33 O ATOM 0 H GLU B 61 6.713 14.356 0.145 1.00 0.47 H new ATOM 0 HA GLU B 61 8.766 12.475 1.169 1.00 0.55 H new ATOM 0 HB2 GLU B 61 8.230 15.364 1.948 1.00 0.70 H new ATOM 0 HB3 GLU B 61 9.376 14.299 2.737 1.00 0.70 H new ATOM 0 HG2 GLU B 61 10.571 14.061 0.519 1.00 0.80 H new ATOM 0 HG3 GLU B 61 9.494 15.279 -0.134 1.00 0.80 H new ATOM 1784 N ARG B 62 7.538 12.046 3.315 1.00 0.53 N ATOM 1785 CA ARG B 62 6.695 11.465 4.363 1.00 0.53 C ATOM 1786 C ARG B 62 6.101 12.534 5.279 1.00 0.52 C ATOM 1787 O ARG B 62 5.096 12.299 5.941 1.00 0.64 O ATOM 1788 CB ARG B 62 7.518 10.465 5.186 1.00 0.62 C ATOM 1789 CG ARG B 62 6.744 9.792 6.312 1.00 1.40 C ATOM 1790 CD ARG B 62 7.651 8.911 7.156 1.00 1.46 C ATOM 1791 NE ARG B 62 6.935 8.282 8.267 1.00 2.25 N ATOM 1792 CZ ARG B 62 7.521 7.513 9.187 1.00 2.60 C ATOM 1793 NH1 ARG B 62 8.827 7.280 9.128 1.00 2.13 N ATOM 1794 NH2 ARG B 62 6.804 6.972 10.161 1.00 3.67 N ATOM 0 H ARG B 62 8.506 11.724 3.343 1.00 0.53 H new ATOM 0 HA ARG B 62 5.863 10.953 3.879 1.00 0.53 H new ATOM 0 HB2 ARG B 62 7.907 9.696 4.518 1.00 0.62 H new ATOM 0 HB3 ARG B 62 8.378 10.983 5.611 1.00 0.62 H new ATOM 0 HG2 ARG B 62 6.282 10.551 6.943 1.00 1.40 H new ATOM 0 HG3 ARG B 62 5.937 9.191 5.893 1.00 1.40 H new ATOM 0 HD2 ARG B 62 8.092 8.138 6.526 1.00 1.46 H new ATOM 0 HD3 ARG B 62 8.473 9.510 7.549 1.00 1.46 H new ATOM 0 HE ARG B 62 5.930 8.441 8.342 1.00 2.25 H new ATOM 0 HH11 ARG B 62 9.385 7.689 8.378 1.00 2.13 H new ATOM 0 HH12 ARG B 62 9.272 6.692 9.832 1.00 2.13 H new ATOM 0 HH21 ARG B 62 5.800 7.143 10.210 1.00 3.67 H new ATOM 0 HH22 ARG B 62 7.256 6.385 10.862 1.00 3.67 H new ATOM 1808 N GLU B 63 6.717 13.703 5.317 1.00 0.57 N ATOM 1809 CA GLU B 63 6.221 14.792 6.145 1.00 0.63 C ATOM 1810 C GLU B 63 4.999 15.450 5.498 1.00 0.62 C ATOM 1811 O GLU B 63 4.219 16.126 6.167 1.00 0.74 O ATOM 1812 CB GLU B 63 7.322 15.828 6.369 1.00 0.73 C ATOM 1813 CG GLU B 63 6.953 16.892 7.388 1.00 1.69 C ATOM 1814 CD GLU B 63 7.987 17.989 7.488 1.00 2.52 C ATOM 1815 OE1 GLU B 63 8.956 17.834 8.256 1.00 3.12 O ATOM 1816 OE2 GLU B 63 7.829 19.023 6.805 1.00 3.19 O ATOM 0 H GLU B 63 7.560 13.923 4.786 1.00 0.57 H new ATOM 0 HA GLU B 63 5.921 14.382 7.109 1.00 0.63 H new ATOM 0 HB2 GLU B 63 8.228 15.319 6.699 1.00 0.73 H new ATOM 0 HB3 GLU B 63 7.555 16.310 5.420 1.00 0.73 H new ATOM 0 HG2 GLU B 63 5.991 17.329 7.119 1.00 1.69 H new ATOM 0 HG3 GLU B 63 6.829 16.425 8.365 1.00 1.69 H new ATOM 1823 N ALA B 64 4.827 15.226 4.202 1.00 0.55 N ATOM 1824 CA ALA B 64 3.748 15.856 3.453 1.00 0.59 C ATOM 1825 C ALA B 64 2.554 14.917 3.290 1.00 0.53 C ATOM 1826 O ALA B 64 1.586 15.248 2.605 1.00 0.56 O ATOM 1827 CB ALA B 64 4.253 16.306 2.089 1.00 0.66 C ATOM 0 H ALA B 64 5.422 14.611 3.647 1.00 0.55 H new ATOM 0 HA ALA B 64 3.412 16.725 4.018 1.00 0.59 H new ATOM 0 HB1 ALA B 64 3.439 16.776 1.537 1.00 0.66 H new ATOM 0 HB2 ALA B 64 5.064 17.022 2.220 1.00 0.66 H new ATOM 0 HB3 ALA B 64 4.618 15.442 1.533 1.00 0.66 H new ATOM 1833 N VAL B 65 2.616 13.755 3.933 1.00 0.50 N ATOM 1834 CA VAL B 65 1.573 12.743 3.782 1.00 0.46 C ATOM 1835 C VAL B 65 0.221 13.241 4.307 1.00 0.52 C ATOM 1836 O VAL B 65 -0.822 12.943 3.723 1.00 0.53 O ATOM 1837 CB VAL B 65 1.958 11.407 4.469 1.00 0.46 C ATOM 1838 CG1 VAL B 65 2.173 11.585 5.959 1.00 0.51 C ATOM 1839 CG2 VAL B 65 0.909 10.339 4.218 1.00 0.50 C ATOM 0 H VAL B 65 3.374 13.490 4.562 1.00 0.50 H new ATOM 0 HA VAL B 65 1.476 12.555 2.713 1.00 0.46 H new ATOM 0 HB VAL B 65 2.900 11.082 4.027 1.00 0.46 H new ATOM 0 HG11 VAL B 65 2.441 10.627 6.405 1.00 0.51 H new ATOM 0 HG12 VAL B 65 2.977 12.302 6.128 1.00 0.51 H new ATOM 0 HG13 VAL B 65 1.256 11.954 6.417 1.00 0.51 H new ATOM 0 HG21 VAL B 65 1.206 9.414 4.712 1.00 0.50 H new ATOM 0 HG22 VAL B 65 -0.050 10.671 4.616 1.00 0.50 H new ATOM 0 HG23 VAL B 65 0.817 10.165 3.146 1.00 0.50 H new ATOM 1843 N SER B 66 0.241 14.025 5.381 1.00 0.62 N ATOM 1844 CA SER B 66 -0.990 14.554 5.953 1.00 0.74 C ATOM 1845 C SER B 66 -1.638 15.540 4.986 1.00 0.75 C ATOM 1846 O SER B 66 -2.857 15.543 4.811 1.00 0.83 O ATOM 1847 CB SER B 66 -0.714 15.232 7.299 1.00 0.88 C ATOM 1848 OG SER B 66 -1.915 15.693 7.899 1.00 1.63 O ATOM 0 H SER B 66 1.091 14.306 5.869 1.00 0.62 H new ATOM 0 HA SER B 66 -1.676 13.724 6.122 1.00 0.74 H new ATOM 0 HB2 SER B 66 -0.217 14.529 7.968 1.00 0.88 H new ATOM 0 HB3 SER B 66 -0.032 16.070 7.154 1.00 0.88 H new ATOM 0 HG SER B 66 -1.709 16.120 8.757 1.00 1.63 H new ATOM 1854 N GLY B 67 -0.811 16.358 4.347 1.00 0.71 N ATOM 1855 CA GLY B 67 -1.306 17.306 3.371 1.00 0.74 C ATOM 1856 C GLY B 67 -1.930 16.612 2.182 1.00 0.69 C ATOM 1857 O GLY B 67 -2.962 17.046 1.669 1.00 0.74 O ATOM 0 H GLY B 67 0.199 16.380 4.489 1.00 0.71 H new ATOM 0 HA2 GLY B 67 -2.043 17.959 3.839 1.00 0.74 H new ATOM 0 HA3 GLY B 67 -0.487 17.941 3.033 1.00 0.74 H new ATOM 1861 N ILE B 68 -1.304 15.524 1.748 1.00 0.61 N ATOM 1862 CA ILE B 68 -1.836 14.726 0.655 1.00 0.58 C ATOM 1863 C ILE B 68 -3.162 14.090 1.059 1.00 0.62 C ATOM 1864 O ILE B 68 -4.171 14.265 0.380 1.00 0.70 O ATOM 1865 CB ILE B 68 -0.852 13.614 0.223 1.00 0.50 C ATOM 1866 CG1 ILE B 68 0.495 14.219 -0.179 1.00 0.49 C ATOM 1867 CG2 ILE B 68 -1.438 12.808 -0.932 1.00 0.49 C ATOM 1868 CD1 ILE B 68 1.544 13.187 -0.534 1.00 0.45 C ATOM 0 H ILE B 68 -0.428 15.176 2.138 1.00 0.61 H new ATOM 0 HA ILE B 68 -1.988 15.399 -0.189 1.00 0.58 H new ATOM 0 HB ILE B 68 -0.692 12.945 1.068 1.00 0.50 H new ATOM 0 HG12 ILE B 68 0.346 14.881 -1.032 1.00 0.49 H new ATOM 0 HG13 ILE B 68 0.866 14.834 0.641 1.00 0.49 H new ATOM 0 HG21 ILE B 68 -0.735 12.029 -1.226 1.00 0.49 H new ATOM 0 HG22 ILE B 68 -2.376 12.350 -0.617 1.00 0.49 H new ATOM 0 HG23 ILE B 68 -1.623 13.468 -1.779 1.00 0.49 H new ATOM 0 HD11 ILE B 68 2.471 13.690 -0.808 1.00 0.45 H new ATOM 0 HD12 ILE B 68 1.723 12.540 0.325 1.00 0.45 H new ATOM 0 HD13 ILE B 68 1.194 12.587 -1.374 1.00 0.45 H new ATOM 1875 N LEU B 69 -3.159 13.380 2.183 1.00 0.61 N ATOM 1876 CA LEU B 69 -4.349 12.675 2.652 1.00 0.66 C ATOM 1877 C LEU B 69 -5.488 13.639 2.966 1.00 0.84 C ATOM 1878 O LEU B 69 -6.653 13.309 2.764 1.00 1.13 O ATOM 1879 CB LEU B 69 -4.022 11.832 3.888 1.00 0.61 C ATOM 1880 CG LEU B 69 -3.091 10.644 3.637 1.00 0.46 C ATOM 1881 CD1 LEU B 69 -2.766 9.934 4.942 1.00 0.49 C ATOM 1882 CD2 LEU B 69 -3.723 9.673 2.649 1.00 0.45 C ATOM 0 H LEU B 69 -2.344 13.277 2.788 1.00 0.61 H new ATOM 0 HA LEU B 69 -4.677 12.018 1.846 1.00 0.66 H new ATOM 0 HB2 LEU B 69 -3.567 12.478 4.639 1.00 0.61 H new ATOM 0 HB3 LEU B 69 -4.955 11.459 4.311 1.00 0.61 H new ATOM 0 HG LEU B 69 -2.162 11.020 3.209 1.00 0.46 H new ATOM 0 HD11 LEU B 69 -2.103 9.092 4.743 1.00 0.49 H new ATOM 0 HD12 LEU B 69 -2.275 10.630 5.622 1.00 0.49 H new ATOM 0 HD13 LEU B 69 -3.687 9.570 5.398 1.00 0.49 H new ATOM 0 HD21 LEU B 69 -3.048 8.834 2.481 1.00 0.45 H new ATOM 0 HD22 LEU B 69 -4.666 9.305 3.053 1.00 0.45 H new ATOM 0 HD23 LEU B 69 -3.908 10.184 1.704 1.00 0.45 H new ATOM 1894 N GLY B 70 -5.144 14.823 3.456 1.00 0.79 N ATOM 1895 CA GLY B 70 -6.150 15.818 3.779 1.00 0.93 C ATOM 1896 C GLY B 70 -6.880 16.326 2.551 1.00 0.98 C ATOM 1897 O GLY B 70 -8.066 16.654 2.613 1.00 1.24 O ATOM 0 H GLY B 70 -4.183 15.113 3.636 1.00 0.79 H new ATOM 0 HA2 GLY B 70 -6.871 15.388 4.474 1.00 0.93 H new ATOM 0 HA3 GLY B 70 -5.676 16.657 4.289 1.00 0.93 H new ATOM 1901 N LYS B 71 -6.173 16.392 1.431 1.00 0.86 N ATOM 1902 CA LYS B 71 -6.766 16.855 0.186 1.00 0.97 C ATOM 1903 C LYS B 71 -7.389 15.683 -0.572 1.00 0.98 C ATOM 1904 O LYS B 71 -8.364 15.847 -1.308 1.00 1.25 O ATOM 1905 CB LYS B 71 -5.707 17.548 -0.681 1.00 1.11 C ATOM 1906 CG LYS B 71 -6.263 18.177 -1.951 1.00 1.68 C ATOM 1907 CD LYS B 71 -7.281 19.264 -1.640 1.00 2.11 C ATOM 1908 CE LYS B 71 -7.841 19.892 -2.907 1.00 2.60 C ATOM 1909 NZ LYS B 71 -8.596 18.914 -3.734 1.00 3.15 N ATOM 0 H LYS B 71 -5.190 16.131 1.360 1.00 0.86 H new ATOM 0 HA LYS B 71 -7.551 17.575 0.419 1.00 0.97 H new ATOM 0 HB2 LYS B 71 -5.217 18.321 -0.089 1.00 1.11 H new ATOM 0 HB3 LYS B 71 -4.942 16.821 -0.953 1.00 1.11 H new ATOM 0 HG2 LYS B 71 -5.446 18.600 -2.536 1.00 1.68 H new ATOM 0 HG3 LYS B 71 -6.729 17.406 -2.565 1.00 1.68 H new ATOM 0 HD2 LYS B 71 -8.096 18.841 -1.053 1.00 2.11 H new ATOM 0 HD3 LYS B 71 -6.814 20.035 -1.028 1.00 2.11 H new ATOM 0 HE2 LYS B 71 -8.496 20.721 -2.640 1.00 2.60 H new ATOM 0 HE3 LYS B 71 -7.024 20.308 -3.496 1.00 2.60 H new ATOM 0 HZ1 LYS B 71 -9.099 19.416 -4.493 1.00 3.15 H new ATOM 0 HZ2 LYS B 71 -7.935 18.229 -4.151 1.00 3.15 H new ATOM 0 HZ3 LYS B 71 -9.284 18.412 -3.137 1.00 3.15 H new ATOM 1923 N SER B 72 -6.823 14.506 -0.376 1.00 0.91 N ATOM 1924 CA SER B 72 -7.308 13.303 -1.030 1.00 1.08 C ATOM 1925 C SER B 72 -8.552 12.772 -0.325 1.00 1.03 C ATOM 1926 O SER B 72 -8.846 13.144 0.812 1.00 1.20 O ATOM 1927 CB SER B 72 -6.211 12.239 -1.035 1.00 1.29 C ATOM 1928 OG SER B 72 -5.021 12.738 -1.619 1.00 2.02 O ATOM 0 H SER B 72 -6.021 14.357 0.236 1.00 0.91 H new ATOM 0 HA SER B 72 -7.575 13.547 -2.058 1.00 1.08 H new ATOM 0 HB2 SER B 72 -6.010 11.914 -0.014 1.00 1.29 H new ATOM 0 HB3 SER B 72 -6.552 11.363 -1.587 1.00 1.29 H new ATOM 0 HG SER B 72 -4.488 13.195 -0.935 1.00 2.02 H new ATOM 1934 N GLU B 73 -9.272 11.891 -0.999 1.00 1.12 N ATOM 1935 CA GLU B 73 -10.508 11.337 -0.462 1.00 1.30 C ATOM 1936 C GLU B 73 -10.221 10.108 0.395 1.00 1.26 C ATOM 1937 O GLU B 73 -10.978 9.135 0.381 1.00 1.86 O ATOM 1938 CB GLU B 73 -11.453 10.964 -1.604 1.00 1.67 C ATOM 1939 CG GLU B 73 -11.791 12.126 -2.520 1.00 1.87 C ATOM 1940 CD GLU B 73 -12.853 11.771 -3.535 1.00 2.11 C ATOM 1941 OE1 GLU B 73 -12.528 11.084 -4.520 1.00 2.46 O ATOM 1942 OE2 GLU B 73 -14.014 12.189 -3.358 1.00 2.64 O ATOM 0 H GLU B 73 -9.022 11.541 -1.924 1.00 1.12 H new ATOM 0 HA GLU B 73 -10.981 12.094 0.164 1.00 1.30 H new ATOM 0 HB2 GLU B 73 -10.999 10.168 -2.194 1.00 1.67 H new ATOM 0 HB3 GLU B 73 -12.376 10.563 -1.184 1.00 1.67 H new ATOM 0 HG2 GLU B 73 -12.133 12.970 -1.921 1.00 1.87 H new ATOM 0 HG3 GLU B 73 -10.889 12.449 -3.040 1.00 1.87 H new ATOM 1949 N PHE B 74 -9.126 10.166 1.142 1.00 1.03 N ATOM 1950 CA PHE B 74 -8.673 9.035 1.939 1.00 1.02 C ATOM 1951 C PHE B 74 -8.175 9.512 3.298 1.00 1.07 C ATOM 1952 O PHE B 74 -7.229 8.961 3.860 1.00 1.44 O ATOM 1953 CB PHE B 74 -7.550 8.289 1.214 1.00 0.94 C ATOM 1954 CG PHE B 74 -7.917 7.806 -0.164 1.00 0.96 C ATOM 1955 CD1 PHE B 74 -8.718 6.688 -0.330 1.00 1.61 C ATOM 1956 CD2 PHE B 74 -7.454 8.467 -1.290 1.00 1.18 C ATOM 1957 CE1 PHE B 74 -9.051 6.240 -1.593 1.00 1.70 C ATOM 1958 CE2 PHE B 74 -7.784 8.024 -2.556 1.00 1.25 C ATOM 1959 CZ PHE B 74 -8.584 6.908 -2.708 1.00 1.19 C ATOM 0 H PHE B 74 -8.531 10.992 1.212 1.00 1.03 H new ATOM 0 HA PHE B 74 -9.515 8.358 2.084 1.00 1.02 H new ATOM 0 HB2 PHE B 74 -6.684 8.946 1.137 1.00 0.94 H new ATOM 0 HB3 PHE B 74 -7.249 7.433 1.818 1.00 0.94 H new ATOM 0 HD1 PHE B 74 -9.086 6.161 0.538 1.00 1.61 H new ATOM 0 HD2 PHE B 74 -6.827 9.339 -1.177 1.00 1.18 H new ATOM 0 HE1 PHE B 74 -9.677 5.367 -1.709 1.00 1.70 H new ATOM 0 HE2 PHE B 74 -7.417 8.549 -3.426 1.00 1.25 H new ATOM 0 HZ PHE B 74 -8.844 6.559 -3.696 1.00 1.19 H new ATOM 2015 N HIS B 78 -7.094 4.777 7.563 1.00 0.88 N ATOM 2016 CA HIS B 78 -5.810 4.275 7.100 1.00 0.85 C ATOM 2017 C HIS B 78 -6.037 3.318 5.942 1.00 0.69 C ATOM 2018 O HIS B 78 -7.175 2.910 5.698 1.00 0.68 O ATOM 2019 CB HIS B 78 -5.059 3.547 8.221 1.00 1.02 C ATOM 2020 CG HIS B 78 -4.915 4.334 9.489 1.00 1.16 C ATOM 2021 ND1 HIS B 78 -5.627 4.045 10.631 1.00 1.50 N ATOM 2022 CD2 HIS B 78 -4.124 5.388 9.799 1.00 1.41 C ATOM 2023 CE1 HIS B 78 -5.282 4.883 11.589 1.00 1.95 C ATOM 2024 NE2 HIS B 78 -4.371 5.707 11.111 1.00 1.85 N ATOM 0 HA HIS B 78 -5.205 5.123 6.779 1.00 0.85 H new ATOM 0 HB2 HIS B 78 -5.580 2.616 8.444 1.00 1.02 H new ATOM 0 HB3 HIS B 78 -4.066 3.279 7.861 1.00 1.02 H new ATOM 0 HD1 HIS B 78 -6.315 3.298 10.722 1.00 1.50 H new ATOM 0 HD2 HIS B 78 -3.429 5.885 9.138 1.00 1.41 H new ATOM 0 HE1 HIS B 78 -5.678 4.893 12.594 1.00 1.95 H new ATOM 2033 N LEU B 79 -4.974 2.952 5.237 1.00 0.60 N ATOM 2034 CA LEU B 79 -5.089 2.018 4.118 1.00 0.46 C ATOM 2035 C LEU B 79 -5.806 0.745 4.557 1.00 0.44 C ATOM 2036 O LEU B 79 -6.733 0.275 3.898 1.00 0.42 O ATOM 2037 CB LEU B 79 -3.705 1.662 3.570 1.00 0.44 C ATOM 2038 CG LEU B 79 -3.711 0.772 2.326 1.00 0.37 C ATOM 2039 CD1 LEU B 79 -4.347 1.500 1.152 1.00 0.38 C ATOM 2040 CD2 LEU B 79 -2.300 0.329 1.979 1.00 0.41 C ATOM 0 H LEU B 79 -4.026 3.284 5.417 1.00 0.60 H new ATOM 0 HA LEU B 79 -5.669 2.502 3.332 1.00 0.46 H new ATOM 0 HB2 LEU B 79 -3.175 2.585 3.335 1.00 0.44 H new ATOM 0 HB3 LEU B 79 -3.138 1.160 4.354 1.00 0.44 H new ATOM 0 HG LEU B 79 -4.305 -0.116 2.542 1.00 0.37 H new ATOM 0 HD11 LEU B 79 -4.342 0.851 0.276 1.00 0.38 H new ATOM 0 HD12 LEU B 79 -5.374 1.765 1.402 1.00 0.38 H new ATOM 0 HD13 LEU B 79 -3.781 2.406 0.936 1.00 0.38 H new ATOM 0 HD21 LEU B 79 -2.325 -0.303 1.091 1.00 0.41 H new ATOM 0 HD22 LEU B 79 -1.681 1.205 1.783 1.00 0.41 H new ATOM 0 HD23 LEU B 79 -1.880 -0.233 2.813 1.00 0.41 H new ATOM 2052 N ALA B 80 -5.389 0.217 5.698 1.00 0.50 N ATOM 2053 CA ALA B 80 -5.931 -1.030 6.212 1.00 0.54 C ATOM 2054 C ALA B 80 -7.411 -0.905 6.562 1.00 0.58 C ATOM 2055 O ALA B 80 -8.174 -1.846 6.366 1.00 0.61 O ATOM 2056 CB ALA B 80 -5.138 -1.482 7.418 1.00 0.63 C ATOM 0 H ALA B 80 -4.671 0.637 6.289 1.00 0.50 H new ATOM 0 HA ALA B 80 -5.846 -1.779 5.425 1.00 0.54 H new ATOM 0 HB1 ALA B 80 -5.552 -2.417 7.796 1.00 0.63 H new ATOM 0 HB2 ALA B 80 -4.097 -1.635 7.133 1.00 0.63 H new ATOM 0 HB3 ALA B 80 -5.193 -0.720 8.196 1.00 0.63 H new ATOM 2062 N ASP B 81 -7.819 0.258 7.068 1.00 0.64 N ATOM 2063 CA ASP B 81 -9.228 0.490 7.399 1.00 0.70 C ATOM 2064 C ASP B 81 -10.071 0.406 6.139 1.00 0.60 C ATOM 2065 O ASP B 81 -11.167 -0.159 6.133 1.00 0.67 O ATOM 2066 CB ASP B 81 -9.436 1.862 8.050 1.00 0.78 C ATOM 2067 CG ASP B 81 -8.724 2.012 9.376 1.00 1.52 C ATOM 2068 OD1 ASP B 81 -8.862 1.118 10.242 1.00 2.30 O ATOM 2069 OD2 ASP B 81 -8.021 3.027 9.561 1.00 2.06 O ATOM 0 H ASP B 81 -7.203 1.048 7.257 1.00 0.64 H new ATOM 0 HA ASP B 81 -9.533 -0.278 8.110 1.00 0.70 H new ATOM 0 HB2 ASP B 81 -9.085 2.636 7.368 1.00 0.78 H new ATOM 0 HB3 ASP B 81 -10.503 2.028 8.198 1.00 0.78 H new ATOM 2074 N ILE B 82 -9.534 0.975 5.071 1.00 0.50 N ATOM 2075 CA ILE B 82 -10.172 0.944 3.767 1.00 0.44 C ATOM 2076 C ILE B 82 -10.298 -0.489 3.256 1.00 0.48 C ATOM 2077 O ILE B 82 -11.373 -0.913 2.831 1.00 0.60 O ATOM 2078 CB ILE B 82 -9.371 1.800 2.765 1.00 0.41 C ATOM 2079 CG1 ILE B 82 -9.538 3.285 3.101 1.00 0.51 C ATOM 2080 CG2 ILE B 82 -9.793 1.510 1.333 1.00 0.46 C ATOM 2081 CD1 ILE B 82 -8.687 4.202 2.254 1.00 0.61 C ATOM 0 H ILE B 82 -8.643 1.471 5.085 1.00 0.50 H new ATOM 0 HA ILE B 82 -11.175 1.359 3.866 1.00 0.44 H new ATOM 0 HB ILE B 82 -8.316 1.539 2.849 1.00 0.41 H new ATOM 0 HG12 ILE B 82 -10.585 3.560 2.978 1.00 0.51 H new ATOM 0 HG13 ILE B 82 -9.289 3.441 4.151 1.00 0.51 H new ATOM 0 HG21 ILE B 82 -9.211 2.128 0.650 1.00 0.46 H new ATOM 0 HG22 ILE B 82 -9.618 0.458 1.108 1.00 0.46 H new ATOM 0 HG23 ILE B 82 -10.853 1.736 1.213 1.00 0.46 H new ATOM 0 HD11 ILE B 82 -8.860 5.236 2.551 1.00 0.61 H new ATOM 0 HD12 ILE B 82 -7.635 3.955 2.395 1.00 0.61 H new ATOM 0 HD13 ILE B 82 -8.951 4.077 1.204 1.00 0.61 H new ATOM 2088 N LEU B 83 -9.201 -1.233 3.326 1.00 0.44 N ATOM 2089 CA LEU B 83 -9.179 -2.622 2.874 1.00 0.52 C ATOM 2090 C LEU B 83 -10.071 -3.499 3.750 1.00 0.69 C ATOM 2091 O LEU B 83 -10.721 -4.421 3.264 1.00 0.83 O ATOM 2092 CB LEU B 83 -7.744 -3.160 2.874 1.00 0.47 C ATOM 2093 CG LEU B 83 -6.924 -2.878 1.606 1.00 0.39 C ATOM 2094 CD1 LEU B 83 -6.895 -1.393 1.274 1.00 0.32 C ATOM 2095 CD2 LEU B 83 -5.510 -3.401 1.780 1.00 0.43 C ATOM 0 H LEU B 83 -8.310 -0.897 3.693 1.00 0.44 H new ATOM 0 HA LEU B 83 -9.568 -2.651 1.856 1.00 0.52 H new ATOM 0 HB2 LEU B 83 -7.216 -2.734 3.727 1.00 0.47 H new ATOM 0 HB3 LEU B 83 -7.780 -4.238 3.028 1.00 0.47 H new ATOM 0 HG LEU B 83 -7.404 -3.394 0.774 1.00 0.39 H new ATOM 0 HD11 LEU B 83 -6.306 -1.233 0.371 1.00 0.32 H new ATOM 0 HD12 LEU B 83 -7.912 -1.037 1.111 1.00 0.32 H new ATOM 0 HD13 LEU B 83 -6.446 -0.844 2.102 1.00 0.32 H new ATOM 0 HD21 LEU B 83 -4.933 -3.198 0.878 1.00 0.43 H new ATOM 0 HD22 LEU B 83 -5.041 -2.905 2.630 1.00 0.43 H new ATOM 0 HD23 LEU B 83 -5.539 -4.476 1.958 1.00 0.43 H new ATOM 2107 N ASN B 84 -10.110 -3.189 5.039 1.00 0.74 N ATOM 2108 CA ASN B 84 -10.963 -3.907 5.984 1.00 0.94 C ATOM 2109 C ASN B 84 -12.434 -3.725 5.615 1.00 0.97 C ATOM 2110 O ASN B 84 -13.277 -4.564 5.924 1.00 1.14 O ATOM 2111 CB ASN B 84 -10.709 -3.401 7.409 1.00 1.03 C ATOM 2112 CG ASN B 84 -11.504 -4.154 8.460 1.00 1.27 C ATOM 2113 OD1 ASN B 84 -11.783 -5.345 8.318 1.00 1.83 O ATOM 2114 ND2 ASN B 84 -11.868 -3.463 9.527 1.00 1.79 N ATOM 0 H ASN B 84 -9.558 -2.441 5.459 1.00 0.74 H new ATOM 0 HA ASN B 84 -10.722 -4.969 5.937 1.00 0.94 H new ATOM 0 HB2 ASN B 84 -9.646 -3.488 7.635 1.00 1.03 H new ATOM 0 HB3 ASN B 84 -10.960 -2.342 7.462 1.00 1.03 H new ATOM 0 HD21 ASN B 84 -12.400 -3.915 10.271 1.00 1.79 H new ATOM 0 HD22 ASN B 84 -11.617 -2.478 9.607 1.00 1.79 H new ATOM 2121 N SER B 85 -12.728 -2.629 4.935 1.00 0.87 N ATOM 2122 CA SER B 85 -14.084 -2.339 4.500 1.00 0.93 C ATOM 2123 C SER B 85 -14.349 -2.946 3.120 1.00 0.91 C ATOM 2124 O SER B 85 -15.487 -2.987 2.654 1.00 1.01 O ATOM 2125 CB SER B 85 -14.298 -0.825 4.465 1.00 0.97 C ATOM 2126 OG SER B 85 -13.904 -0.228 5.692 1.00 1.50 O ATOM 0 H SER B 85 -12.042 -1.922 4.671 1.00 0.87 H new ATOM 0 HA SER B 85 -14.785 -2.784 5.206 1.00 0.93 H new ATOM 0 HB2 SER B 85 -13.725 -0.392 3.645 1.00 0.97 H new ATOM 0 HB3 SER B 85 -15.348 -0.607 4.271 1.00 0.97 H new ATOM 0 HG SER B 85 -12.927 -0.247 5.766 1.00 1.50 H new ATOM 2132 N ALA B 86 -13.292 -3.437 2.481 1.00 0.88 N ATOM 2133 CA ALA B 86 -13.390 -3.970 1.129 1.00 0.95 C ATOM 2134 C ALA B 86 -13.172 -5.480 1.112 1.00 1.14 C ATOM 2135 O ALA B 86 -12.527 -6.014 0.210 1.00 1.70 O ATOM 2136 CB ALA B 86 -12.383 -3.282 0.220 1.00 1.09 C ATOM 0 H ALA B 86 -12.354 -3.476 2.881 1.00 0.88 H new ATOM 0 HA ALA B 86 -14.397 -3.772 0.760 1.00 0.95 H new ATOM 0 HB1 ALA B 86 -12.465 -3.689 -0.788 1.00 1.09 H new ATOM 0 HB2 ALA B 86 -12.586 -2.211 0.197 1.00 1.09 H new ATOM 0 HB3 ALA B 86 -11.375 -3.452 0.599 1.00 1.09 H new