USER MOD reduce.3.24.130724 H: found=0, std=0, add=555, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 553 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 21 HIS : no HD1:sc= -8.3! C(o=-12!,f=-13!) USER MOD Set 1.2: A 53 ASN : amide:sc= -3.63 K(o=-12,f=-20!) USER MOD Single : A 9 MET CE :methyl -117:sc= -0.0411 (180deg=-3.89!) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -0.601 K(o=-0.6,f=-3.4!) USER MOD Single : A 18 HIS : no HD1:sc= -0.12 X(o=-0.12,f=-0.26) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 HIS : no HD1:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= -1.6 K(o=-1.6,f=-4.1!) USER MOD Single : A 33 ASN : amide:sc=-0.00302 X(o=-0.003,f=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= -0.38 X(o=-0.38,f=-0.38) USER MOD Single : A 39 TYR OH : rot 166:sc= 0.738 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0.0169 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 34:sc= 0.794 USER MOD Single : A 62 GLN : amide:sc= -0.106 X(o=-0.11,f=0) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 GLN : amide:sc= -0.162 X(o=-0.16,f=-0.011) USER MOD Single : A 68 LYS NZ :NH3+ -115:sc= 0 (180deg=-0.391) USER MOD ----------------------------------------------------------------- ATOM 58 N MET A 9 -15.298 -6.311 2.729 1.00 1.18 N ATOM 59 CA MET A 9 -13.875 -6.024 2.867 1.00 0.82 C ATOM 60 C MET A 9 -13.106 -6.535 1.654 1.00 0.72 C ATOM 61 O MET A 9 -13.321 -7.659 1.201 1.00 0.97 O ATOM 62 CB MET A 9 -13.333 -6.677 4.134 1.00 1.08 C ATOM 63 CG MET A 9 -12.093 -5.956 4.652 1.00 1.61 C ATOM 64 SD MET A 9 -11.704 -6.389 6.356 1.00 2.27 S ATOM 65 CE MET A 9 -10.175 -5.471 6.599 1.00 2.82 C ATOM 0 HA MET A 9 -13.745 -4.944 2.934 1.00 0.82 H new ATOM 0 HB2 MET A 9 -14.104 -6.674 4.904 1.00 1.08 H new ATOM 0 HB3 MET A 9 -13.090 -7.720 3.931 1.00 1.08 H new ATOM 0 HG2 MET A 9 -11.242 -6.200 4.015 1.00 1.61 H new ATOM 0 HG3 MET A 9 -12.246 -4.879 4.580 1.00 1.61 H new ATOM 0 HE1 MET A 9 -9.359 -6.168 6.792 1.00 2.82 H new ATOM 0 HE2 MET A 9 -9.952 -4.891 5.703 1.00 2.82 H new ATOM 0 HE3 MET A 9 -10.286 -4.798 7.449 1.00 2.82 H new ATOM 75 N ASP A 10 -12.210 -5.704 1.131 1.00 0.49 N ATOM 76 CA ASP A 10 -11.410 -6.077 -0.031 1.00 0.42 C ATOM 77 C ASP A 10 -9.933 -5.831 0.239 1.00 0.38 C ATOM 78 O ASP A 10 -9.556 -4.791 0.780 1.00 0.54 O ATOM 79 CB ASP A 10 -11.856 -5.279 -1.252 1.00 0.44 C ATOM 80 CG ASP A 10 -12.805 -6.109 -2.108 1.00 0.86 C ATOM 81 OD1 ASP A 10 -13.970 -6.294 -1.697 1.00 1.55 O ATOM 82 OD2 ASP A 10 -12.380 -6.574 -3.186 1.00 1.53 O ATOM 0 H ASP A 10 -12.020 -4.769 1.492 1.00 0.49 H new ATOM 0 HA ASP A 10 -11.557 -7.139 -0.227 1.00 0.42 H new ATOM 0 HB2 ASP A 10 -12.350 -4.361 -0.934 1.00 0.44 H new ATOM 0 HB3 ASP A 10 -10.987 -4.986 -1.841 1.00 0.44 H new ATOM 87 N TYR A 11 -9.096 -6.794 -0.136 1.00 0.40 N ATOM 88 CA TYR A 11 -7.658 -6.679 0.073 1.00 0.37 C ATOM 89 C TYR A 11 -6.894 -7.031 -1.198 1.00 0.34 C ATOM 90 O TYR A 11 -7.297 -7.914 -1.956 1.00 0.38 O ATOM 91 CB TYR A 11 -7.221 -7.599 1.210 1.00 0.42 C ATOM 92 CG TYR A 11 -7.306 -9.060 0.850 1.00 0.48 C ATOM 93 CD1 TYR A 11 -6.308 -9.646 0.092 1.00 0.57 C ATOM 94 CD2 TYR A 11 -8.383 -9.821 1.273 1.00 0.54 C ATOM 95 CE1 TYR A 11 -6.384 -10.987 -0.241 1.00 0.67 C ATOM 96 CE2 TYR A 11 -8.459 -11.162 0.940 1.00 0.63 C ATOM 97 CZ TYR A 11 -7.459 -11.739 0.185 1.00 0.67 C ATOM 98 OH TYR A 11 -7.536 -13.072 -0.147 1.00 0.78 O ATOM 0 H TYR A 11 -9.389 -7.661 -0.586 1.00 0.40 H new ATOM 0 HA TYR A 11 -7.433 -5.646 0.336 1.00 0.37 H new ATOM 0 HB2 TYR A 11 -6.196 -7.359 1.491 1.00 0.42 H new ATOM 0 HB3 TYR A 11 -7.844 -7.409 2.084 1.00 0.42 H new ATOM 0 HD1 TYR A 11 -5.467 -9.055 -0.241 1.00 0.57 H new ATOM 0 HD2 TYR A 11 -9.165 -9.367 1.864 1.00 0.54 H new ATOM 0 HE1 TYR A 11 -5.604 -11.443 -0.833 1.00 0.67 H new ATOM 0 HE2 TYR A 11 -9.299 -11.755 1.270 1.00 0.63 H new ATOM 0 HH TYR A 11 -8.354 -13.457 0.232 1.00 0.78 H new ATOM 108 N VAL A 12 -5.785 -6.335 -1.418 1.00 0.34 N ATOM 109 CA VAL A 12 -4.945 -6.562 -2.589 1.00 0.34 C ATOM 110 C VAL A 12 -3.518 -6.127 -2.289 1.00 0.35 C ATOM 111 O VAL A 12 -3.280 -5.375 -1.346 1.00 0.51 O ATOM 112 CB VAL A 12 -5.468 -5.803 -3.816 1.00 0.38 C ATOM 113 CG1 VAL A 12 -6.147 -6.765 -4.786 1.00 0.81 C ATOM 114 CG2 VAL A 12 -6.418 -4.664 -3.435 1.00 0.52 C ATOM 0 H VAL A 12 -5.444 -5.603 -0.795 1.00 0.34 H new ATOM 0 HA VAL A 12 -4.969 -7.628 -2.817 1.00 0.34 H new ATOM 0 HB VAL A 12 -4.607 -5.350 -4.306 1.00 0.38 H new ATOM 0 HG11 VAL A 12 -6.513 -6.212 -5.651 1.00 0.81 H new ATOM 0 HG12 VAL A 12 -5.430 -7.518 -5.113 1.00 0.81 H new ATOM 0 HG13 VAL A 12 -6.984 -7.254 -4.288 1.00 0.81 H new ATOM 0 HG21 VAL A 12 -6.760 -4.158 -4.338 1.00 0.52 H new ATOM 0 HG22 VAL A 12 -7.276 -5.070 -2.899 1.00 0.52 H new ATOM 0 HG23 VAL A 12 -5.895 -3.952 -2.796 1.00 0.52 H new ATOM 124 N GLU A 13 -2.570 -6.601 -3.089 1.00 0.49 N ATOM 125 CA GLU A 13 -1.168 -6.253 -2.892 1.00 0.54 C ATOM 126 C GLU A 13 -0.443 -6.137 -4.227 1.00 0.50 C ATOM 127 O GLU A 13 -0.792 -6.809 -5.198 1.00 0.60 O ATOM 128 CB GLU A 13 -0.492 -7.303 -2.021 1.00 0.67 C ATOM 129 CG GLU A 13 -0.786 -8.711 -2.517 1.00 1.05 C ATOM 130 CD GLU A 13 -0.546 -9.727 -1.408 1.00 1.43 C ATOM 131 OE1 GLU A 13 -0.576 -9.332 -0.222 1.00 2.05 O ATOM 132 OE2 GLU A 13 -0.327 -10.914 -1.724 1.00 1.97 O ATOM 0 H GLU A 13 -2.745 -7.225 -3.877 1.00 0.49 H new ATOM 0 HA GLU A 13 -1.121 -5.285 -2.393 1.00 0.54 H new ATOM 0 HB2 GLU A 13 0.585 -7.135 -2.016 1.00 0.67 H new ATOM 0 HB3 GLU A 13 -0.835 -7.199 -0.992 1.00 0.67 H new ATOM 0 HG2 GLU A 13 -1.819 -8.774 -2.859 1.00 1.05 H new ATOM 0 HG3 GLU A 13 -0.152 -8.941 -3.373 1.00 1.05 H new ATOM 139 N ILE A 14 0.572 -5.280 -4.264 1.00 0.48 N ATOM 140 CA ILE A 14 1.358 -5.069 -5.476 1.00 0.49 C ATOM 141 C ILE A 14 2.768 -5.615 -5.296 1.00 0.48 C ATOM 142 O ILE A 14 3.173 -5.961 -4.186 1.00 0.43 O ATOM 143 CB ILE A 14 1.413 -3.583 -5.815 1.00 0.52 C ATOM 144 CG1 ILE A 14 1.962 -2.780 -4.636 1.00 0.51 C ATOM 145 CG2 ILE A 14 0.037 -3.067 -6.219 1.00 0.64 C ATOM 146 CD1 ILE A 14 1.999 -1.288 -4.947 1.00 0.63 C ATOM 0 H ILE A 14 0.871 -4.719 -3.467 1.00 0.48 H new ATOM 0 HA ILE A 14 0.879 -5.602 -6.297 1.00 0.49 H new ATOM 0 HB ILE A 14 2.087 -3.455 -6.662 1.00 0.52 H new ATOM 0 HG12 ILE A 14 1.343 -2.954 -3.756 1.00 0.51 H new ATOM 0 HG13 ILE A 14 2.966 -3.128 -4.394 1.00 0.51 H new ATOM 0 HG21 ILE A 14 0.102 -2.005 -6.456 1.00 0.64 H new ATOM 0 HG22 ILE A 14 -0.314 -3.613 -7.094 1.00 0.64 H new ATOM 0 HG23 ILE A 14 -0.662 -3.213 -5.396 1.00 0.64 H new ATOM 0 HD11 ILE A 14 2.394 -0.747 -4.087 1.00 0.63 H new ATOM 0 HD12 ILE A 14 2.639 -1.112 -5.812 1.00 0.63 H new ATOM 0 HD13 ILE A 14 0.990 -0.936 -5.164 1.00 0.63 H new ATOM 158 N ASN A 15 3.514 -5.694 -6.394 1.00 0.59 N ATOM 159 CA ASN A 15 4.880 -6.205 -6.357 1.00 0.62 C ATOM 160 C ASN A 15 5.891 -5.072 -6.476 1.00 0.60 C ATOM 161 O ASN A 15 5.739 -4.173 -7.303 1.00 0.78 O ATOM 162 CB ASN A 15 5.092 -7.210 -7.486 1.00 0.79 C ATOM 163 CG ASN A 15 4.145 -8.392 -7.327 1.00 1.31 C ATOM 164 OD1 ASN A 15 2.950 -8.217 -7.096 1.00 2.20 O ATOM 165 ND2 ASN A 15 4.681 -9.602 -7.449 1.00 1.54 N ATOM 0 H ASN A 15 3.195 -5.411 -7.321 1.00 0.59 H new ATOM 0 HA ASN A 15 5.032 -6.700 -5.398 1.00 0.62 H new ATOM 0 HB2 ASN A 15 4.923 -6.727 -8.448 1.00 0.79 H new ATOM 0 HB3 ASN A 15 6.124 -7.559 -7.482 1.00 0.79 H new ATOM 0 HD21 ASN A 15 4.096 -10.431 -7.351 1.00 1.54 H new ATOM 0 HD22 ASN A 15 5.678 -9.701 -7.641 1.00 1.54 H new ATOM 172 N ILE A 16 6.927 -5.126 -5.646 1.00 0.49 N ATOM 173 CA ILE A 16 7.975 -4.113 -5.650 1.00 0.49 C ATOM 174 C ILE A 16 9.300 -4.728 -5.213 1.00 0.56 C ATOM 175 O ILE A 16 9.324 -5.812 -4.628 1.00 0.66 O ATOM 176 CB ILE A 16 7.592 -2.965 -4.722 1.00 0.48 C ATOM 177 CG1 ILE A 16 6.281 -2.325 -5.178 1.00 0.63 C ATOM 178 CG2 ILE A 16 8.704 -1.923 -4.658 1.00 0.58 C ATOM 179 CD1 ILE A 16 5.897 -1.138 -4.300 1.00 0.84 C ATOM 0 H ILE A 16 7.063 -5.866 -4.958 1.00 0.49 H new ATOM 0 HA ILE A 16 8.089 -3.724 -6.662 1.00 0.49 H new ATOM 0 HB ILE A 16 7.450 -3.370 -3.720 1.00 0.48 H new ATOM 0 HG12 ILE A 16 6.377 -1.996 -6.213 1.00 0.63 H new ATOM 0 HG13 ILE A 16 5.485 -3.069 -5.153 1.00 0.63 H new ATOM 0 HG21 ILE A 16 8.407 -1.115 -3.990 1.00 0.58 H new ATOM 0 HG22 ILE A 16 9.616 -2.387 -4.283 1.00 0.58 H new ATOM 0 HG23 ILE A 16 8.885 -1.522 -5.655 1.00 0.58 H new ATOM 0 HD11 ILE A 16 4.960 -0.710 -4.656 1.00 0.84 H new ATOM 0 HD12 ILE A 16 5.775 -1.472 -3.270 1.00 0.84 H new ATOM 0 HD13 ILE A 16 6.681 -0.383 -4.346 1.00 0.84 H new ATOM 191 N ASP A 17 10.401 -4.044 -5.506 1.00 0.63 N ATOM 192 CA ASP A 17 11.725 -4.544 -5.146 1.00 0.75 C ATOM 193 C ASP A 17 12.611 -3.428 -4.610 1.00 1.00 C ATOM 194 O ASP A 17 13.034 -3.462 -3.455 1.00 1.75 O ATOM 195 CB ASP A 17 12.386 -5.178 -6.365 1.00 1.27 C ATOM 196 CG ASP A 17 12.176 -6.686 -6.357 1.00 1.63 C ATOM 197 OD1 ASP A 17 11.311 -7.164 -5.592 1.00 2.16 O ATOM 198 OD2 ASP A 17 12.877 -7.389 -7.116 1.00 2.21 O ATOM 0 H ASP A 17 10.404 -3.146 -5.990 1.00 0.63 H new ATOM 0 HA ASP A 17 11.602 -5.290 -4.361 1.00 0.75 H new ATOM 0 HB2 ASP A 17 11.968 -4.751 -7.277 1.00 1.27 H new ATOM 0 HB3 ASP A 17 13.452 -4.953 -6.367 1.00 1.27 H new ATOM 203 N HIS A 18 12.900 -2.443 -5.458 1.00 1.27 N ATOM 204 CA HIS A 18 13.751 -1.316 -5.074 1.00 1.85 C ATOM 205 C HIS A 18 13.353 -0.773 -3.705 1.00 1.32 C ATOM 206 O HIS A 18 12.333 -1.169 -3.144 1.00 2.00 O ATOM 207 CB HIS A 18 13.651 -0.208 -6.119 1.00 2.83 C ATOM 208 CG HIS A 18 14.038 -0.666 -7.492 1.00 3.48 C ATOM 209 ND1 HIS A 18 14.894 -1.713 -7.723 1.00 4.01 N ATOM 210 CD2 HIS A 18 13.686 -0.225 -8.726 1.00 4.16 C ATOM 211 CE1 HIS A 18 15.062 -1.908 -9.010 1.00 4.73 C ATOM 212 NE2 HIS A 18 14.336 -1.013 -9.659 1.00 4.84 N ATOM 0 H HIS A 18 12.557 -2.402 -6.418 1.00 1.27 H new ATOM 0 HA HIS A 18 14.781 -1.670 -5.018 1.00 1.85 H new ATOM 0 HB2 HIS A 18 12.629 0.172 -6.142 1.00 2.83 H new ATOM 0 HB3 HIS A 18 14.293 0.622 -5.824 1.00 2.83 H new ATOM 0 HD2 HIS A 18 13.017 0.595 -8.942 1.00 4.16 H new ATOM 0 HE1 HIS A 18 15.684 -2.667 -9.461 1.00 4.73 H new ATOM 0 HE2 HIS A 18 14.267 -0.920 -10.672 1.00 4.84 H new ATOM 220 N LYS A 19 14.170 0.131 -3.172 1.00 0.82 N ATOM 221 CA LYS A 19 13.907 0.726 -1.866 1.00 0.84 C ATOM 222 C LYS A 19 12.669 1.613 -1.913 1.00 0.77 C ATOM 223 O LYS A 19 12.758 2.824 -1.720 1.00 1.13 O ATOM 224 CB LYS A 19 15.113 1.544 -1.412 1.00 1.47 C ATOM 225 CG LYS A 19 16.350 0.670 -1.222 1.00 1.97 C ATOM 226 CD LYS A 19 17.572 1.501 -0.841 1.00 2.72 C ATOM 227 CE LYS A 19 18.533 1.658 -2.015 1.00 3.37 C ATOM 228 NZ LYS A 19 18.927 3.082 -2.205 1.00 4.03 N ATOM 0 H LYS A 19 15.020 0.467 -3.625 1.00 0.82 H new ATOM 0 HA LYS A 19 13.728 -0.079 -1.153 1.00 0.84 H new ATOM 0 HB2 LYS A 19 15.325 2.319 -2.149 1.00 1.47 H new ATOM 0 HB3 LYS A 19 14.878 2.050 -0.476 1.00 1.47 H new ATOM 0 HG2 LYS A 19 16.157 -0.071 -0.446 1.00 1.97 H new ATOM 0 HG3 LYS A 19 16.554 0.122 -2.142 1.00 1.97 H new ATOM 0 HD2 LYS A 19 17.251 2.485 -0.499 1.00 2.72 H new ATOM 0 HD3 LYS A 19 18.090 1.027 -0.007 1.00 2.72 H new ATOM 0 HE2 LYS A 19 19.423 1.052 -1.843 1.00 3.37 H new ATOM 0 HE3 LYS A 19 18.063 1.284 -2.925 1.00 3.37 H new ATOM 0 HZ1 LYS A 19 19.581 3.157 -3.010 1.00 4.03 H new ATOM 0 HZ2 LYS A 19 18.079 3.655 -2.393 1.00 4.03 H new ATOM 0 HZ3 LYS A 19 19.396 3.430 -1.345 1.00 4.03 H new ATOM 242 N PHE A 20 11.516 1.002 -2.171 1.00 0.63 N ATOM 243 CA PHE A 20 10.256 1.736 -2.243 1.00 0.61 C ATOM 244 C PHE A 20 9.643 1.882 -0.857 1.00 0.62 C ATOM 245 O PHE A 20 9.260 2.977 -0.446 1.00 0.95 O ATOM 246 CB PHE A 20 9.282 1.006 -3.163 1.00 0.62 C ATOM 247 CG PHE A 20 8.933 1.798 -4.398 1.00 0.75 C ATOM 248 CD1 PHE A 20 9.869 1.963 -5.405 1.00 1.08 C ATOM 249 CD2 PHE A 20 7.675 2.364 -4.530 1.00 0.96 C ATOM 250 CE1 PHE A 20 9.550 2.691 -6.538 1.00 1.26 C ATOM 251 CE2 PHE A 20 7.356 3.092 -5.664 1.00 1.17 C ATOM 252 CZ PHE A 20 8.294 3.255 -6.667 1.00 1.19 C ATOM 0 H PHE A 20 11.428 -0.001 -2.334 1.00 0.63 H new ATOM 0 HA PHE A 20 10.456 2.730 -2.643 1.00 0.61 H new ATOM 0 HB2 PHE A 20 9.717 0.052 -3.461 1.00 0.62 H new ATOM 0 HB3 PHE A 20 8.369 0.781 -2.612 1.00 0.62 H new ATOM 0 HD1 PHE A 20 10.850 1.523 -5.306 1.00 1.08 H new ATOM 0 HD2 PHE A 20 6.942 2.237 -3.747 1.00 0.96 H new ATOM 0 HE1 PHE A 20 10.282 2.819 -7.322 1.00 1.26 H new ATOM 0 HE2 PHE A 20 6.375 3.532 -5.765 1.00 1.17 H new ATOM 0 HZ PHE A 20 8.046 3.823 -7.551 1.00 1.19 H new ATOM 262 N HIS A 21 9.546 0.765 -0.142 1.00 0.53 N ATOM 263 CA HIS A 21 8.974 0.749 1.201 1.00 0.57 C ATOM 264 C HIS A 21 9.514 1.898 2.043 1.00 0.69 C ATOM 265 O HIS A 21 8.761 2.768 2.478 1.00 1.03 O ATOM 266 CB HIS A 21 9.287 -0.581 1.878 1.00 0.54 C ATOM 267 CG HIS A 21 8.552 -1.731 1.264 1.00 0.47 C ATOM 268 ND1 HIS A 21 8.064 -2.787 1.989 1.00 0.48 N ATOM 269 CD2 HIS A 21 8.202 -1.999 -0.022 1.00 0.44 C ATOM 270 CE1 HIS A 21 7.451 -3.649 1.211 1.00 0.45 C ATOM 271 NE2 HIS A 21 7.516 -3.199 -0.031 1.00 0.42 N ATOM 0 H HIS A 21 9.859 -0.148 -0.473 1.00 0.53 H new ATOM 0 HA HIS A 21 7.894 0.870 1.114 1.00 0.57 H new ATOM 0 HB2 HIS A 21 10.359 -0.769 1.821 1.00 0.54 H new ATOM 0 HB3 HIS A 21 9.031 -0.515 2.935 1.00 0.54 H new ATOM 0 HD2 HIS A 21 8.421 -1.384 -0.883 1.00 0.44 H new ATOM 0 HE1 HIS A 21 6.977 -4.565 1.530 1.00 0.45 H new ATOM 0 HE2 HIS A 21 7.127 -3.659 -0.854 1.00 0.42 H new ATOM 279 N ARG A 22 10.823 1.895 2.270 1.00 0.68 N ATOM 280 CA ARG A 22 11.459 2.939 3.062 1.00 0.80 C ATOM 281 C ARG A 22 11.215 4.306 2.434 1.00 0.81 C ATOM 282 O ARG A 22 11.192 5.323 3.126 1.00 0.92 O ATOM 283 CB ARG A 22 12.958 2.676 3.170 1.00 0.93 C ATOM 284 CG ARG A 22 13.407 2.568 4.625 1.00 1.64 C ATOM 285 CD ARG A 22 14.737 1.831 4.751 1.00 2.14 C ATOM 286 NE ARG A 22 14.695 0.904 5.877 1.00 2.73 N ATOM 287 CZ ARG A 22 15.572 -0.087 6.000 1.00 3.33 C ATOM 288 NH1 ARG A 22 16.865 0.140 5.815 1.00 3.72 N ATOM 289 NH2 ARG A 22 15.156 -1.307 6.311 1.00 3.95 N ATOM 0 H ARG A 22 11.462 1.183 1.917 1.00 0.68 H new ATOM 0 HA ARG A 22 11.023 2.930 4.061 1.00 0.80 H new ATOM 0 HB2 ARG A 22 13.205 1.754 2.643 1.00 0.93 H new ATOM 0 HB3 ARG A 22 13.505 3.480 2.679 1.00 0.93 H new ATOM 0 HG2 ARG A 22 13.502 3.566 5.052 1.00 1.64 H new ATOM 0 HG3 ARG A 22 12.645 2.046 5.203 1.00 1.64 H new ATOM 0 HD2 ARG A 22 14.948 1.287 3.830 1.00 2.14 H new ATOM 0 HD3 ARG A 22 15.546 2.548 4.891 1.00 2.14 H new ATOM 0 HE ARG A 22 13.973 1.020 6.589 1.00 2.73 H new ATOM 0 HH11 ARG A 22 17.189 1.077 5.578 1.00 3.72 H new ATOM 0 HH12 ARG A 22 17.535 -0.623 5.910 1.00 3.72 H new ATOM 0 HH21 ARG A 22 14.162 -1.485 6.456 1.00 3.95 H new ATOM 0 HH22 ARG A 22 15.830 -2.067 6.405 1.00 3.95 H new ATOM 303 N HIS A 23 11.030 4.321 1.116 1.00 0.90 N ATOM 304 CA HIS A 23 10.784 5.562 0.389 1.00 0.98 C ATOM 305 C HIS A 23 9.373 6.065 0.657 1.00 0.96 C ATOM 306 O HIS A 23 9.156 7.260 0.860 1.00 1.12 O ATOM 307 CB HIS A 23 10.977 5.337 -1.109 1.00 1.02 C ATOM 308 CG HIS A 23 12.066 6.184 -1.693 1.00 1.30 C ATOM 309 ND1 HIS A 23 13.377 6.098 -1.305 1.00 1.83 N ATOM 310 CD2 HIS A 23 12.047 7.145 -2.652 1.00 1.56 C ATOM 311 CE1 HIS A 23 14.123 6.946 -1.974 1.00 2.07 C ATOM 312 NE2 HIS A 23 13.340 7.607 -2.812 1.00 1.86 N ATOM 0 H HIS A 23 11.046 3.486 0.530 1.00 0.90 H new ATOM 0 HA HIS A 23 11.495 6.313 0.734 1.00 0.98 H new ATOM 0 HB2 HIS A 23 11.207 4.286 -1.286 1.00 1.02 H new ATOM 0 HB3 HIS A 23 10.042 5.550 -1.626 1.00 1.02 H new ATOM 0 HD2 HIS A 23 11.177 7.487 -3.193 1.00 1.56 H new ATOM 0 HE1 HIS A 23 15.189 7.081 -1.861 1.00 2.07 H new ATOM 0 HE2 HIS A 23 13.639 8.332 -3.464 1.00 1.86 H new ATOM 320 N LEU A 24 8.414 5.147 0.649 1.00 0.86 N ATOM 321 CA LEU A 24 7.017 5.493 0.884 1.00 0.87 C ATOM 322 C LEU A 24 6.796 5.896 2.336 1.00 0.97 C ATOM 323 O LEU A 24 6.286 6.980 2.615 1.00 1.16 O ATOM 324 CB LEU A 24 6.120 4.310 0.534 1.00 0.73 C ATOM 325 CG LEU A 24 6.144 4.008 -0.962 1.00 0.76 C ATOM 326 CD1 LEU A 24 6.558 2.561 -1.215 1.00 0.72 C ATOM 327 CD2 LEU A 24 4.786 4.299 -1.593 1.00 1.25 C ATOM 0 H LEU A 24 8.579 4.154 0.482 1.00 0.86 H new ATOM 0 HA LEU A 24 6.763 6.340 0.247 1.00 0.87 H new ATOM 0 HB2 LEU A 24 6.445 3.430 1.088 1.00 0.73 H new ATOM 0 HB3 LEU A 24 5.098 4.523 0.846 1.00 0.73 H new ATOM 0 HG LEU A 24 6.883 4.659 -1.429 1.00 0.76 H new ATOM 0 HD11 LEU A 24 6.568 2.368 -2.288 1.00 0.72 H new ATOM 0 HD12 LEU A 24 7.554 2.391 -0.806 1.00 0.72 H new ATOM 0 HD13 LEU A 24 5.848 1.890 -0.732 1.00 0.72 H new ATOM 0 HD21 LEU A 24 4.825 4.077 -2.659 1.00 1.25 H new ATOM 0 HD22 LEU A 24 4.025 3.678 -1.121 1.00 1.25 H new ATOM 0 HD23 LEU A 24 4.536 5.350 -1.450 1.00 1.25 H new ATOM 339 N ILE A 25 7.174 5.017 3.259 1.00 0.92 N ATOM 340 CA ILE A 25 7.005 5.284 4.684 1.00 1.10 C ATOM 341 C ILE A 25 7.564 6.657 5.048 1.00 1.41 C ATOM 342 O ILE A 25 6.941 7.413 5.794 1.00 1.91 O ATOM 343 CB ILE A 25 7.688 4.193 5.506 1.00 0.94 C ATOM 344 CG1 ILE A 25 9.209 4.288 5.398 1.00 0.90 C ATOM 345 CG2 ILE A 25 7.211 2.812 5.067 1.00 1.06 C ATOM 346 CD1 ILE A 25 9.893 3.180 6.191 1.00 0.91 C ATOM 0 H ILE A 25 7.599 4.114 3.046 1.00 0.92 H new ATOM 0 HA ILE A 25 5.939 5.282 4.913 1.00 1.10 H new ATOM 0 HB ILE A 25 7.414 4.343 6.550 1.00 0.94 H new ATOM 0 HG12 ILE A 25 9.506 4.225 4.351 1.00 0.90 H new ATOM 0 HG13 ILE A 25 9.541 5.259 5.765 1.00 0.90 H new ATOM 0 HG21 ILE A 25 7.709 2.048 5.664 1.00 1.06 H new ATOM 0 HG22 ILE A 25 6.133 2.738 5.208 1.00 1.06 H new ATOM 0 HG23 ILE A 25 7.450 2.662 4.014 1.00 1.06 H new ATOM 0 HD11 ILE A 25 10.974 3.277 6.093 1.00 0.91 H new ATOM 0 HD12 ILE A 25 9.615 3.260 7.242 1.00 0.91 H new ATOM 0 HD13 ILE A 25 9.579 2.210 5.806 1.00 0.91 H new ATOM 358 N GLY A 26 8.739 6.975 4.518 1.00 1.49 N ATOM 359 CA GLY A 26 9.378 8.257 4.788 1.00 1.87 C ATOM 360 C GLY A 26 10.345 8.149 5.961 1.00 1.82 C ATOM 361 O GLY A 26 10.169 8.808 6.986 1.00 2.29 O ATOM 0 H GLY A 26 9.269 6.362 3.898 1.00 1.49 H new ATOM 0 HA2 GLY A 26 9.913 8.595 3.901 1.00 1.87 H new ATOM 0 HA3 GLY A 26 8.618 9.007 5.006 1.00 1.87 H new ATOM 365 N LYS A 27 11.366 7.313 5.804 1.00 1.86 N ATOM 366 CA LYS A 27 12.366 7.114 6.846 1.00 1.91 C ATOM 367 C LYS A 27 11.734 6.503 8.093 1.00 1.62 C ATOM 368 O LYS A 27 11.896 5.313 8.360 1.00 2.38 O ATOM 369 CB LYS A 27 13.027 8.445 7.195 1.00 2.21 C ATOM 370 CG LYS A 27 13.780 9.026 6.002 1.00 2.65 C ATOM 371 CD LYS A 27 15.156 9.547 6.409 1.00 3.30 C ATOM 372 CE LYS A 27 15.187 11.072 6.460 1.00 3.80 C ATOM 373 NZ LYS A 27 16.304 11.561 7.316 1.00 4.51 N ATOM 0 H LYS A 27 11.523 6.760 4.961 1.00 1.86 H new ATOM 0 HA LYS A 27 13.122 6.425 6.471 1.00 1.91 H new ATOM 0 HB2 LYS A 27 12.268 9.153 7.527 1.00 2.21 H new ATOM 0 HB3 LYS A 27 13.716 8.303 8.027 1.00 2.21 H new ATOM 0 HG2 LYS A 27 13.892 8.261 5.234 1.00 2.65 H new ATOM 0 HG3 LYS A 27 13.198 9.836 5.563 1.00 2.65 H new ATOM 0 HD2 LYS A 27 15.424 9.144 7.386 1.00 3.30 H new ATOM 0 HD3 LYS A 27 15.904 9.191 5.701 1.00 3.30 H new ATOM 0 HE2 LYS A 27 15.298 11.470 5.451 1.00 3.80 H new ATOM 0 HE3 LYS A 27 14.239 11.445 6.847 1.00 3.80 H new ATOM 0 HZ1 LYS A 27 16.300 12.601 7.332 1.00 4.51 H new ATOM 0 HZ2 LYS A 27 16.184 11.200 8.284 1.00 4.51 H new ATOM 0 HZ3 LYS A 27 17.210 11.224 6.931 1.00 4.51 H new ATOM 387 N SER A 28 11.015 7.323 8.854 1.00 1.28 N ATOM 388 CA SER A 28 10.361 6.861 10.072 1.00 1.60 C ATOM 389 C SER A 28 9.062 6.140 9.743 1.00 1.60 C ATOM 390 O SER A 28 8.810 5.039 10.232 1.00 2.28 O ATOM 391 CB SER A 28 10.076 8.043 10.994 1.00 1.99 C ATOM 392 OG SER A 28 11.218 8.883 11.087 1.00 2.57 O ATOM 0 H SER A 28 10.871 8.311 8.648 1.00 1.28 H new ATOM 0 HA SER A 28 11.029 6.164 10.577 1.00 1.60 H new ATOM 0 HB2 SER A 28 9.227 8.612 10.615 1.00 1.99 H new ATOM 0 HB3 SER A 28 9.800 7.682 11.985 1.00 1.99 H new ATOM 0 HG SER A 28 11.021 9.638 11.680 1.00 2.57 H new ATOM 398 N GLY A 29 8.238 6.768 8.912 1.00 1.21 N ATOM 399 CA GLY A 29 6.962 6.186 8.518 1.00 1.23 C ATOM 400 C GLY A 29 5.812 7.125 8.857 1.00 1.36 C ATOM 401 O GLY A 29 5.666 7.557 10.000 1.00 2.05 O ATOM 0 H GLY A 29 8.431 7.680 8.498 1.00 1.21 H new ATOM 0 HA2 GLY A 29 6.966 5.980 7.448 1.00 1.23 H new ATOM 0 HA3 GLY A 29 6.820 5.232 9.025 1.00 1.23 H new ATOM 405 N ALA A 30 4.995 7.439 7.856 1.00 1.00 N ATOM 406 CA ALA A 30 3.857 8.329 8.049 1.00 1.10 C ATOM 407 C ALA A 30 2.979 8.353 6.804 1.00 1.06 C ATOM 408 O ALA A 30 1.751 8.374 6.899 1.00 1.43 O ATOM 409 CB ALA A 30 4.343 9.739 8.365 1.00 1.27 C ATOM 0 H ALA A 30 5.101 7.090 6.903 1.00 1.00 H new ATOM 0 HA ALA A 30 3.267 7.957 8.886 1.00 1.10 H new ATOM 0 HB1 ALA A 30 3.485 10.396 8.507 1.00 1.27 H new ATOM 0 HB2 ALA A 30 4.942 9.722 9.275 1.00 1.27 H new ATOM 0 HB3 ALA A 30 4.950 10.109 7.538 1.00 1.27 H new ATOM 415 N ASN A 31 3.615 8.353 5.636 1.00 0.73 N ATOM 416 CA ASN A 31 2.894 8.378 4.367 1.00 0.69 C ATOM 417 C ASN A 31 1.791 7.324 4.351 1.00 0.60 C ATOM 418 O ASN A 31 0.719 7.547 3.789 1.00 0.58 O ATOM 419 CB ASN A 31 3.862 8.139 3.214 1.00 0.71 C ATOM 420 CG ASN A 31 3.532 9.060 2.047 1.00 1.24 C ATOM 421 OD1 ASN A 31 3.115 10.202 2.241 1.00 1.91 O ATOM 422 ND2 ASN A 31 3.719 8.563 0.829 1.00 1.42 N ATOM 0 H ASN A 31 4.631 8.336 5.542 1.00 0.73 H new ATOM 0 HA ASN A 31 2.433 9.359 4.251 1.00 0.69 H new ATOM 0 HB2 ASN A 31 4.885 8.315 3.547 1.00 0.71 H new ATOM 0 HB3 ASN A 31 3.806 7.099 2.893 1.00 0.71 H new ATOM 0 HD21 ASN A 31 3.515 9.134 0.009 1.00 1.42 H new ATOM 0 HD22 ASN A 31 4.066 7.611 0.715 1.00 1.42 H new ATOM 429 N ILE A 32 2.056 6.179 4.975 1.00 0.58 N ATOM 430 CA ILE A 32 1.076 5.098 5.033 1.00 0.56 C ATOM 431 C ILE A 32 -0.259 5.629 5.540 1.00 0.52 C ATOM 432 O ILE A 32 -1.320 5.279 5.020 1.00 0.51 O ATOM 433 CB ILE A 32 1.575 3.983 5.948 1.00 0.63 C ATOM 434 CG1 ILE A 32 1.887 4.529 7.339 1.00 0.70 C ATOM 435 CG2 ILE A 32 2.802 3.301 5.350 1.00 0.69 C ATOM 436 CD1 ILE A 32 2.440 3.441 8.256 1.00 1.07 C ATOM 0 H ILE A 32 2.938 5.976 5.446 1.00 0.58 H new ATOM 0 HA ILE A 32 0.939 4.695 4.029 1.00 0.56 H new ATOM 0 HB ILE A 32 0.784 3.239 6.041 1.00 0.63 H new ATOM 0 HG12 ILE A 32 2.610 5.341 7.259 1.00 0.70 H new ATOM 0 HG13 ILE A 32 0.982 4.950 7.777 1.00 0.70 H new ATOM 0 HG21 ILE A 32 3.141 2.510 6.019 1.00 0.69 H new ATOM 0 HG22 ILE A 32 2.544 2.872 4.382 1.00 0.69 H new ATOM 0 HG23 ILE A 32 3.599 4.033 5.222 1.00 0.69 H new ATOM 0 HD11 ILE A 32 2.651 3.865 9.238 1.00 1.07 H new ATOM 0 HD12 ILE A 32 1.706 2.642 8.356 1.00 1.07 H new ATOM 0 HD13 ILE A 32 3.359 3.038 7.830 1.00 1.07 H new ATOM 448 N ASN A 33 -0.195 6.490 6.551 1.00 0.56 N ATOM 449 CA ASN A 33 -1.392 7.089 7.126 1.00 0.59 C ATOM 450 C ASN A 33 -1.994 8.085 6.146 1.00 0.54 C ATOM 451 O ASN A 33 -3.207 8.300 6.127 1.00 0.55 O ATOM 452 CB ASN A 33 -1.045 7.794 8.434 1.00 0.71 C ATOM 453 CG ASN A 33 -2.179 7.636 9.439 1.00 0.97 C ATOM 454 OD1 ASN A 33 -2.906 8.587 9.726 1.00 1.51 O ATOM 455 ND2 ASN A 33 -2.328 6.431 9.978 1.00 1.62 N ATOM 0 H ASN A 33 0.676 6.788 6.989 1.00 0.56 H new ATOM 0 HA ASN A 33 -2.120 6.303 7.328 1.00 0.59 H new ATOM 0 HB2 ASN A 33 -0.125 7.379 8.846 1.00 0.71 H new ATOM 0 HB3 ASN A 33 -0.861 8.852 8.247 1.00 0.71 H new ATOM 0 HD21 ASN A 33 -3.069 6.265 10.660 1.00 1.62 H new ATOM 0 HD22 ASN A 33 -1.702 5.672 9.710 1.00 1.62 H new ATOM 462 N ARG A 34 -1.136 8.688 5.329 1.00 0.55 N ATOM 463 CA ARG A 34 -1.575 9.663 4.336 1.00 0.56 C ATOM 464 C ARG A 34 -2.633 9.050 3.429 1.00 0.48 C ATOM 465 O ARG A 34 -3.710 9.616 3.249 1.00 0.48 O ATOM 466 CB ARG A 34 -0.387 10.138 3.504 1.00 0.65 C ATOM 467 CG ARG A 34 -0.621 11.538 2.944 1.00 0.89 C ATOM 468 CD ARG A 34 0.626 12.083 2.255 1.00 1.22 C ATOM 469 NE ARG A 34 0.255 12.954 1.145 1.00 1.69 N ATOM 470 CZ ARG A 34 1.084 13.880 0.675 1.00 2.27 C ATOM 471 NH1 ARG A 34 2.396 13.714 0.784 1.00 2.90 N ATOM 472 NH2 ARG A 34 0.603 14.972 0.095 1.00 2.78 N ATOM 0 H ARG A 34 -0.130 8.518 5.335 1.00 0.55 H new ATOM 0 HA ARG A 34 -2.008 10.518 4.855 1.00 0.56 H new ATOM 0 HB2 ARG A 34 0.513 10.137 4.119 1.00 0.65 H new ATOM 0 HB3 ARG A 34 -0.214 9.441 2.684 1.00 0.65 H new ATOM 0 HG2 ARG A 34 -1.448 11.513 2.234 1.00 0.89 H new ATOM 0 HG3 ARG A 34 -0.914 12.209 3.751 1.00 0.89 H new ATOM 0 HD2 ARG A 34 1.233 12.636 2.972 1.00 1.22 H new ATOM 0 HD3 ARG A 34 1.237 11.258 1.889 1.00 1.22 H new ATOM 0 HE ARG A 34 -0.666 12.849 0.718 1.00 1.69 H new ATOM 0 HH11 ARG A 34 2.769 12.875 1.229 1.00 2.90 H new ATOM 0 HH12 ARG A 34 3.032 14.425 0.423 1.00 2.90 H new ATOM 0 HH21 ARG A 34 -0.405 15.102 0.009 1.00 2.78 H new ATOM 0 HH22 ARG A 34 1.241 15.682 -0.265 1.00 2.78 H new ATOM 486 N ILE A 35 -2.324 7.886 2.864 1.00 0.45 N ATOM 487 CA ILE A 35 -3.260 7.197 1.984 1.00 0.40 C ATOM 488 C ILE A 35 -4.483 6.756 2.779 1.00 0.34 C ATOM 489 O ILE A 35 -5.614 7.108 2.443 1.00 0.34 O ATOM 490 CB ILE A 35 -2.583 5.988 1.335 1.00 0.41 C ATOM 491 CG1 ILE A 35 -1.417 6.436 0.458 1.00 0.54 C ATOM 492 CG2 ILE A 35 -3.580 5.177 0.512 1.00 0.40 C ATOM 493 CD1 ILE A 35 -0.117 6.521 1.253 1.00 1.29 C ATOM 0 H ILE A 35 -1.436 7.403 3.000 1.00 0.45 H new ATOM 0 HA ILE A 35 -3.577 7.880 1.195 1.00 0.40 H new ATOM 0 HB ILE A 35 -2.200 5.350 2.132 1.00 0.41 H new ATOM 0 HG12 ILE A 35 -1.293 5.737 -0.369 1.00 0.54 H new ATOM 0 HG13 ILE A 35 -1.642 7.409 0.022 1.00 0.54 H new ATOM 0 HG21 ILE A 35 -3.072 4.324 0.062 1.00 0.40 H new ATOM 0 HG22 ILE A 35 -4.382 4.822 1.159 1.00 0.40 H new ATOM 0 HG23 ILE A 35 -3.999 5.805 -0.274 1.00 0.40 H new ATOM 0 HD11 ILE A 35 0.691 6.843 0.596 1.00 1.29 H new ATOM 0 HD12 ILE A 35 -0.233 7.240 2.064 1.00 1.29 H new ATOM 0 HD13 ILE A 35 0.121 5.541 1.667 1.00 1.29 H new ATOM 505 N LYS A 36 -4.245 5.990 3.841 1.00 0.35 N ATOM 506 CA LYS A 36 -5.319 5.499 4.701 1.00 0.36 C ATOM 507 C LYS A 36 -6.307 6.616 5.027 1.00 0.39 C ATOM 508 O LYS A 36 -7.503 6.372 5.182 1.00 0.51 O ATOM 509 CB LYS A 36 -4.728 4.934 5.993 1.00 0.44 C ATOM 510 CG LYS A 36 -5.812 4.513 6.983 1.00 1.09 C ATOM 511 CD LYS A 36 -5.585 5.125 8.361 1.00 1.41 C ATOM 512 CE LYS A 36 -6.799 4.933 9.266 1.00 2.17 C ATOM 513 NZ LYS A 36 -7.046 6.137 10.107 1.00 2.76 N ATOM 0 H LYS A 36 -3.312 5.694 4.128 1.00 0.35 H new ATOM 0 HA LYS A 36 -5.854 4.711 4.171 1.00 0.36 H new ATOM 0 HB2 LYS A 36 -4.098 4.076 5.758 1.00 0.44 H new ATOM 0 HB3 LYS A 36 -4.086 5.683 6.456 1.00 0.44 H new ATOM 0 HG2 LYS A 36 -6.788 4.818 6.606 1.00 1.09 H new ATOM 0 HG3 LYS A 36 -5.828 3.426 7.065 1.00 1.09 H new ATOM 0 HD2 LYS A 36 -4.710 4.668 8.823 1.00 1.41 H new ATOM 0 HD3 LYS A 36 -5.372 6.189 8.257 1.00 1.41 H new ATOM 0 HE2 LYS A 36 -7.679 4.726 8.657 1.00 2.17 H new ATOM 0 HE3 LYS A 36 -6.643 4.065 9.907 1.00 2.17 H new ATOM 0 HZ1 LYS A 36 -7.877 5.974 10.710 1.00 2.76 H new ATOM 0 HZ2 LYS A 36 -6.215 6.319 10.705 1.00 2.76 H new ATOM 0 HZ3 LYS A 36 -7.219 6.959 9.494 1.00 2.76 H new ATOM 527 N ASP A 37 -5.802 7.839 5.126 1.00 0.40 N ATOM 528 CA ASP A 37 -6.643 8.992 5.428 1.00 0.45 C ATOM 529 C ASP A 37 -7.143 9.635 4.140 1.00 0.44 C ATOM 530 O ASP A 37 -8.190 10.283 4.125 1.00 0.60 O ATOM 531 CB ASP A 37 -5.860 10.013 6.248 1.00 0.51 C ATOM 532 CG ASP A 37 -6.700 10.508 7.418 1.00 0.82 C ATOM 533 OD1 ASP A 37 -6.909 9.730 8.373 1.00 1.56 O ATOM 534 OD2 ASP A 37 -7.151 11.672 7.377 1.00 1.37 O ATOM 0 H ASP A 37 -4.814 8.059 5.002 1.00 0.40 H new ATOM 0 HA ASP A 37 -7.501 8.653 6.008 1.00 0.45 H new ATOM 0 HB2 ASP A 37 -4.939 9.563 6.618 1.00 0.51 H new ATOM 0 HB3 ASP A 37 -5.573 10.854 5.616 1.00 0.51 H new ATOM 539 N GLN A 38 -6.389 9.451 3.061 1.00 0.41 N ATOM 540 CA GLN A 38 -6.751 10.011 1.766 1.00 0.46 C ATOM 541 C GLN A 38 -7.776 9.127 1.069 1.00 0.42 C ATOM 542 O GLN A 38 -8.911 9.541 0.834 1.00 0.68 O ATOM 543 CB GLN A 38 -5.509 10.146 0.892 1.00 0.54 C ATOM 544 CG GLN A 38 -5.742 11.092 -0.273 1.00 0.65 C ATOM 545 CD GLN A 38 -6.076 12.488 0.235 1.00 1.05 C ATOM 546 OE1 GLN A 38 -5.240 13.154 0.846 1.00 1.65 O ATOM 547 NE2 GLN A 38 -7.302 12.933 -0.018 1.00 1.66 N ATOM 0 H GLN A 38 -5.520 8.916 3.059 1.00 0.41 H new ATOM 0 HA GLN A 38 -7.189 10.996 1.926 1.00 0.46 H new ATOM 0 HB2 GLN A 38 -4.677 10.510 1.495 1.00 0.54 H new ATOM 0 HB3 GLN A 38 -5.223 9.165 0.513 1.00 0.54 H new ATOM 0 HG2 GLN A 38 -4.853 11.130 -0.902 1.00 0.65 H new ATOM 0 HG3 GLN A 38 -6.556 10.720 -0.895 1.00 0.65 H new ATOM 0 HE21 GLN A 38 -7.962 12.346 -0.528 1.00 1.66 H new ATOM 0 HE22 GLN A 38 -7.583 13.861 0.298 1.00 1.66 H new ATOM 556 N TYR A 39 -7.366 7.908 0.732 1.00 0.34 N ATOM 557 CA TYR A 39 -8.246 6.964 0.051 1.00 0.34 C ATOM 558 C TYR A 39 -9.089 6.164 1.043 1.00 0.30 C ATOM 559 O TYR A 39 -9.770 5.216 0.652 1.00 0.32 O ATOM 560 CB TYR A 39 -7.420 6.009 -0.805 1.00 0.39 C ATOM 561 CG TYR A 39 -6.683 6.698 -1.924 1.00 0.46 C ATOM 562 CD1 TYR A 39 -5.522 7.404 -1.661 1.00 0.53 C ATOM 563 CD2 TYR A 39 -7.167 6.632 -3.219 1.00 0.64 C ATOM 564 CE1 TYR A 39 -4.847 8.039 -2.687 1.00 0.62 C ATOM 565 CE2 TYR A 39 -6.492 7.269 -4.247 1.00 0.73 C ATOM 566 CZ TYR A 39 -5.328 7.956 -3.979 1.00 0.66 C ATOM 567 OH TYR A 39 -4.664 8.603 -4.997 1.00 0.77 O ATOM 0 H TYR A 39 -6.429 7.550 0.920 1.00 0.34 H new ATOM 0 HA TYR A 39 -8.923 7.538 -0.582 1.00 0.34 H new ATOM 0 HB2 TYR A 39 -6.701 5.492 -0.170 1.00 0.39 H new ATOM 0 HB3 TYR A 39 -8.077 5.249 -1.226 1.00 0.39 H new ATOM 0 HD1 TYR A 39 -5.142 7.459 -0.651 1.00 0.53 H new ATOM 0 HD2 TYR A 39 -8.073 6.083 -3.428 1.00 0.64 H new ATOM 0 HE1 TYR A 39 -3.947 8.598 -2.479 1.00 0.62 H new ATOM 0 HE2 TYR A 39 -6.877 7.227 -5.255 1.00 0.73 H new ATOM 0 HH TYR A 39 -4.990 8.274 -5.861 1.00 0.77 H new ATOM 577 N LYS A 40 -9.047 6.535 2.323 1.00 0.28 N ATOM 578 CA LYS A 40 -9.816 5.826 3.346 1.00 0.31 C ATOM 579 C LYS A 40 -9.583 4.323 3.234 1.00 0.29 C ATOM 580 O LYS A 40 -10.529 3.536 3.207 1.00 0.39 O ATOM 581 CB LYS A 40 -11.302 6.138 3.186 1.00 0.38 C ATOM 582 CG LYS A 40 -11.594 7.614 3.445 1.00 0.86 C ATOM 583 CD LYS A 40 -12.813 8.093 2.661 1.00 1.29 C ATOM 584 CE LYS A 40 -12.881 9.618 2.612 1.00 1.88 C ATOM 585 NZ LYS A 40 -14.285 10.103 2.727 1.00 2.56 N ATOM 0 H LYS A 40 -8.493 7.316 2.674 1.00 0.28 H new ATOM 0 HA LYS A 40 -9.485 6.159 4.330 1.00 0.31 H new ATOM 0 HB2 LYS A 40 -11.624 5.873 2.179 1.00 0.38 H new ATOM 0 HB3 LYS A 40 -11.880 5.525 3.877 1.00 0.38 H new ATOM 0 HG2 LYS A 40 -11.762 7.770 4.511 1.00 0.86 H new ATOM 0 HG3 LYS A 40 -10.725 8.211 3.168 1.00 0.86 H new ATOM 0 HD2 LYS A 40 -12.774 7.696 1.646 1.00 1.29 H new ATOM 0 HD3 LYS A 40 -13.720 7.702 3.121 1.00 1.29 H new ATOM 0 HE2 LYS A 40 -12.282 10.037 3.421 1.00 1.88 H new ATOM 0 HE3 LYS A 40 -12.447 9.973 1.677 1.00 1.88 H new ATOM 0 HZ1 LYS A 40 -14.297 11.142 2.690 1.00 2.56 H new ATOM 0 HZ2 LYS A 40 -14.849 9.722 1.941 1.00 2.56 H new ATOM 0 HZ3 LYS A 40 -14.690 9.784 3.630 1.00 2.56 H new ATOM 599 N VAL A 41 -8.313 3.938 3.154 1.00 0.23 N ATOM 600 CA VAL A 41 -7.937 2.534 3.027 1.00 0.23 C ATOM 601 C VAL A 41 -6.934 2.147 4.111 1.00 0.27 C ATOM 602 O VAL A 41 -6.699 2.909 5.046 1.00 0.33 O ATOM 603 CB VAL A 41 -7.337 2.304 1.643 1.00 0.23 C ATOM 604 CG1 VAL A 41 -8.413 2.410 0.571 1.00 0.25 C ATOM 605 CG2 VAL A 41 -6.218 3.304 1.370 1.00 0.23 C ATOM 0 H VAL A 41 -7.523 4.583 3.175 1.00 0.23 H new ATOM 0 HA VAL A 41 -8.823 1.910 3.150 1.00 0.23 H new ATOM 0 HB VAL A 41 -6.917 1.299 1.616 1.00 0.23 H new ATOM 0 HG11 VAL A 41 -7.967 2.243 -0.410 1.00 0.25 H new ATOM 0 HG12 VAL A 41 -9.182 1.659 0.752 1.00 0.25 H new ATOM 0 HG13 VAL A 41 -8.861 3.403 0.602 1.00 0.25 H new ATOM 0 HG21 VAL A 41 -5.803 3.124 0.378 1.00 0.23 H new ATOM 0 HG22 VAL A 41 -6.616 4.318 1.418 1.00 0.23 H new ATOM 0 HG23 VAL A 41 -5.434 3.186 2.118 1.00 0.23 H new ATOM 615 N SER A 42 -6.346 0.960 3.987 1.00 0.29 N ATOM 616 CA SER A 42 -5.371 0.485 4.961 1.00 0.34 C ATOM 617 C SER A 42 -4.129 -0.053 4.261 1.00 0.30 C ATOM 618 O SER A 42 -4.031 -1.248 3.978 1.00 0.36 O ATOM 619 CB SER A 42 -5.987 -0.606 5.830 1.00 0.43 C ATOM 620 OG SER A 42 -5.264 -0.737 7.046 1.00 0.93 O ATOM 0 H SER A 42 -6.528 0.311 3.222 1.00 0.29 H new ATOM 0 HA SER A 42 -5.079 1.325 5.592 1.00 0.34 H new ATOM 0 HB2 SER A 42 -7.029 -0.366 6.043 1.00 0.43 H new ATOM 0 HB3 SER A 42 -5.982 -1.554 5.292 1.00 0.43 H new ATOM 0 HG SER A 42 -5.671 -1.440 7.595 1.00 0.93 H new ATOM 626 N VAL A 43 -3.178 0.836 3.987 1.00 0.33 N ATOM 627 CA VAL A 43 -1.936 0.454 3.325 1.00 0.34 C ATOM 628 C VAL A 43 -0.984 -0.190 4.324 1.00 0.35 C ATOM 629 O VAL A 43 -0.871 0.261 5.464 1.00 0.55 O ATOM 630 CB VAL A 43 -1.279 1.680 2.697 1.00 0.49 C ATOM 631 CG1 VAL A 43 -0.864 2.681 3.771 1.00 1.25 C ATOM 632 CG2 VAL A 43 -0.079 1.274 1.846 1.00 0.54 C ATOM 0 H VAL A 43 -3.245 1.828 4.214 1.00 0.33 H new ATOM 0 HA VAL A 43 -2.165 -0.267 2.541 1.00 0.34 H new ATOM 0 HB VAL A 43 -2.010 2.161 2.047 1.00 0.49 H new ATOM 0 HG11 VAL A 43 -0.398 3.547 3.301 1.00 1.25 H new ATOM 0 HG12 VAL A 43 -1.744 3.001 4.330 1.00 1.25 H new ATOM 0 HG13 VAL A 43 -0.153 2.211 4.451 1.00 1.25 H new ATOM 0 HG21 VAL A 43 0.374 2.163 1.408 1.00 0.54 H new ATOM 0 HG22 VAL A 43 0.654 0.764 2.471 1.00 0.54 H new ATOM 0 HG23 VAL A 43 -0.407 0.605 1.051 1.00 0.54 H new ATOM 642 N ARG A 44 -0.305 -1.252 3.899 1.00 0.31 N ATOM 643 CA ARG A 44 0.627 -1.956 4.772 1.00 0.42 C ATOM 644 C ARG A 44 1.962 -2.198 4.075 1.00 0.40 C ATOM 645 O ARG A 44 2.021 -2.830 3.021 1.00 0.41 O ATOM 646 CB ARG A 44 0.026 -3.288 5.209 1.00 0.52 C ATOM 647 CG ARG A 44 -1.410 -3.125 5.702 1.00 0.78 C ATOM 648 CD ARG A 44 -2.215 -4.408 5.518 1.00 1.05 C ATOM 649 NE ARG A 44 -1.677 -5.471 6.357 1.00 1.31 N ATOM 650 CZ ARG A 44 -2.443 -6.457 6.813 1.00 1.74 C ATOM 651 NH1 ARG A 44 -3.492 -6.862 6.112 1.00 2.28 N ATOM 652 NH2 ARG A 44 -2.158 -7.039 7.969 1.00 2.27 N ATOM 0 H ARG A 44 -0.383 -1.642 2.960 1.00 0.31 H new ATOM 0 HA ARG A 44 0.807 -1.331 5.647 1.00 0.42 H new ATOM 0 HB2 ARG A 44 0.047 -3.988 4.374 1.00 0.52 H new ATOM 0 HB3 ARG A 44 0.636 -3.720 6.002 1.00 0.52 H new ATOM 0 HG2 ARG A 44 -1.404 -2.846 6.756 1.00 0.78 H new ATOM 0 HG3 ARG A 44 -1.892 -2.311 5.160 1.00 0.78 H new ATOM 0 HD2 ARG A 44 -3.260 -4.229 5.773 1.00 1.05 H new ATOM 0 HD3 ARG A 44 -2.190 -4.714 4.472 1.00 1.05 H new ATOM 0 HE ARG A 44 -0.687 -5.458 6.601 1.00 1.31 H new ATOM 0 HH11 ARG A 44 -3.713 -6.417 5.221 1.00 2.28 H new ATOM 0 HH12 ARG A 44 -4.079 -7.619 6.463 1.00 2.28 H new ATOM 0 HH21 ARG A 44 -1.350 -6.730 8.510 1.00 2.27 H new ATOM 0 HH22 ARG A 44 -2.747 -7.795 8.318 1.00 2.27 H new ATOM 666 N ILE A 45 3.033 -1.701 4.686 1.00 0.46 N ATOM 667 CA ILE A 45 4.379 -1.869 4.151 1.00 0.47 C ATOM 668 C ILE A 45 5.098 -2.974 4.934 1.00 0.53 C ATOM 669 O ILE A 45 5.511 -2.766 6.075 1.00 0.64 O ATOM 670 CB ILE A 45 5.140 -0.535 4.241 1.00 0.56 C ATOM 671 CG1 ILE A 45 4.670 0.423 3.145 1.00 0.59 C ATOM 672 CG2 ILE A 45 6.656 -0.725 4.154 1.00 0.60 C ATOM 673 CD1 ILE A 45 5.143 -0.023 1.759 1.00 0.56 C ATOM 0 H ILE A 45 2.993 -1.175 5.559 1.00 0.46 H new ATOM 0 HA ILE A 45 4.334 -2.162 3.102 1.00 0.47 H new ATOM 0 HB ILE A 45 4.918 -0.106 5.218 1.00 0.56 H new ATOM 0 HG12 ILE A 45 3.582 0.482 3.156 1.00 0.59 H new ATOM 0 HG13 ILE A 45 5.046 1.425 3.352 1.00 0.59 H new ATOM 0 HG21 ILE A 45 7.149 0.245 4.222 1.00 0.60 H new ATOM 0 HG22 ILE A 45 6.991 -1.360 4.974 1.00 0.60 H new ATOM 0 HG23 ILE A 45 6.910 -1.195 3.204 1.00 0.60 H new ATOM 0 HD11 ILE A 45 4.788 0.684 1.009 1.00 0.56 H new ATOM 0 HD12 ILE A 45 6.232 -0.057 1.740 1.00 0.56 H new ATOM 0 HD13 ILE A 45 4.745 -1.014 1.540 1.00 0.56 H new ATOM 685 N PRO A 46 5.246 -4.171 4.335 1.00 0.48 N ATOM 686 CA PRO A 46 5.907 -5.304 4.993 1.00 0.58 C ATOM 687 C PRO A 46 7.430 -5.175 4.987 1.00 0.61 C ATOM 688 O PRO A 46 8.063 -5.261 3.934 1.00 0.56 O ATOM 689 CB PRO A 46 5.453 -6.507 4.173 1.00 0.57 C ATOM 690 CG PRO A 46 5.116 -5.971 2.822 1.00 0.47 C ATOM 691 CD PRO A 46 4.778 -4.512 2.983 1.00 0.41 C ATOM 0 HA PRO A 46 5.642 -5.376 6.048 1.00 0.58 H new ATOM 0 HB2 PRO A 46 6.240 -7.258 4.111 1.00 0.57 H new ATOM 0 HB3 PRO A 46 4.588 -6.989 4.630 1.00 0.57 H new ATOM 0 HG2 PRO A 46 5.957 -6.096 2.140 1.00 0.47 H new ATOM 0 HG3 PRO A 46 4.274 -6.514 2.394 1.00 0.47 H new ATOM 0 HD2 PRO A 46 5.274 -3.904 2.226 1.00 0.41 H new ATOM 0 HD3 PRO A 46 3.707 -4.339 2.879 1.00 0.41 H new ATOM 699 N PRO A 47 8.042 -4.966 6.168 1.00 0.74 N ATOM 700 CA PRO A 47 9.494 -4.827 6.286 1.00 0.81 C ATOM 701 C PRO A 47 10.210 -6.177 6.361 1.00 0.87 C ATOM 702 O PRO A 47 11.418 -6.231 6.597 1.00 1.53 O ATOM 703 CB PRO A 47 9.666 -4.044 7.584 1.00 0.98 C ATOM 704 CG PRO A 47 8.444 -4.330 8.401 1.00 1.03 C ATOM 705 CD PRO A 47 7.372 -4.846 7.470 1.00 0.85 C ATOM 0 HA PRO A 47 9.930 -4.335 5.417 1.00 0.81 H new ATOM 0 HB2 PRO A 47 10.569 -4.354 8.110 1.00 0.98 H new ATOM 0 HB3 PRO A 47 9.763 -2.976 7.386 1.00 0.98 H new ATOM 0 HG2 PRO A 47 8.665 -5.067 9.173 1.00 1.03 H new ATOM 0 HG3 PRO A 47 8.105 -3.427 8.909 1.00 1.03 H new ATOM 0 HD2 PRO A 47 6.983 -5.807 7.806 1.00 0.85 H new ATOM 0 HD3 PRO A 47 6.526 -4.160 7.420 1.00 0.85 H new ATOM 713 N ASP A 48 9.467 -7.265 6.164 1.00 1.32 N ATOM 714 CA ASP A 48 10.042 -8.606 6.215 1.00 1.46 C ATOM 715 C ASP A 48 11.291 -8.692 5.345 1.00 1.48 C ATOM 716 O ASP A 48 11.226 -8.508 4.130 1.00 2.18 O ATOM 717 CB ASP A 48 9.014 -9.633 5.749 1.00 2.16 C ATOM 718 CG ASP A 48 7.874 -8.944 5.011 1.00 2.56 C ATOM 719 OD1 ASP A 48 8.155 -8.060 4.174 1.00 3.03 O ATOM 720 OD2 ASP A 48 6.702 -9.289 5.270 1.00 3.01 O ATOM 0 H ASP A 48 8.466 -7.243 5.968 1.00 1.32 H new ATOM 0 HA ASP A 48 10.323 -8.820 7.246 1.00 1.46 H new ATOM 0 HB2 ASP A 48 9.491 -10.363 5.095 1.00 2.16 H new ATOM 0 HB3 ASP A 48 8.623 -10.180 6.606 1.00 2.16 H new ATOM 725 N SER A 49 12.426 -8.972 5.977 1.00 1.59 N ATOM 726 CA SER A 49 13.692 -9.083 5.262 1.00 2.11 C ATOM 727 C SER A 49 13.687 -10.306 4.354 1.00 1.90 C ATOM 728 O SER A 49 14.391 -11.284 4.611 1.00 2.33 O ATOM 729 CB SER A 49 14.845 -9.182 6.257 1.00 3.03 C ATOM 730 OG SER A 49 14.554 -8.440 7.432 1.00 3.81 O ATOM 0 H SER A 49 12.495 -9.126 6.983 1.00 1.59 H new ATOM 0 HA SER A 49 13.823 -8.192 4.647 1.00 2.11 H new ATOM 0 HB2 SER A 49 15.022 -10.226 6.514 1.00 3.03 H new ATOM 0 HB3 SER A 49 15.761 -8.806 5.800 1.00 3.03 H new ATOM 0 HG SER A 49 15.302 -8.515 8.060 1.00 3.81 H new ATOM 736 N GLU A 50 12.891 -10.247 3.290 1.00 1.92 N ATOM 737 CA GLU A 50 12.794 -11.351 2.343 1.00 2.27 C ATOM 738 C GLU A 50 12.717 -10.828 0.914 1.00 2.09 C ATOM 739 O GLU A 50 12.683 -9.619 0.687 1.00 2.74 O ATOM 740 CB GLU A 50 11.562 -12.196 2.653 1.00 3.06 C ATOM 741 CG GLU A 50 11.934 -13.497 3.358 1.00 3.83 C ATOM 742 CD GLU A 50 12.115 -14.618 2.342 1.00 4.43 C ATOM 743 OE1 GLU A 50 13.068 -14.545 1.539 1.00 4.75 O ATOM 744 OE2 GLU A 50 11.303 -15.566 2.350 1.00 4.97 O ATOM 0 H GLU A 50 12.303 -9.445 3.063 1.00 1.92 H new ATOM 0 HA GLU A 50 13.687 -11.968 2.439 1.00 2.27 H new ATOM 0 HB2 GLU A 50 10.877 -11.625 3.280 1.00 3.06 H new ATOM 0 HB3 GLU A 50 11.033 -12.422 1.727 1.00 3.06 H new ATOM 0 HG2 GLU A 50 12.854 -13.360 3.926 1.00 3.83 H new ATOM 0 HG3 GLU A 50 11.156 -13.767 4.072 1.00 3.83 H new ATOM 751 N LYS A 51 12.692 -11.746 -0.046 1.00 1.76 N ATOM 752 CA LYS A 51 12.620 -11.379 -1.457 1.00 1.77 C ATOM 753 C LYS A 51 11.212 -10.928 -1.823 1.00 1.55 C ATOM 754 O LYS A 51 10.289 -11.024 -1.014 1.00 2.20 O ATOM 755 CB LYS A 51 13.025 -12.566 -2.328 1.00 2.14 C ATOM 756 CG LYS A 51 14.376 -13.137 -1.906 1.00 2.60 C ATOM 757 CD LYS A 51 14.879 -14.182 -2.899 1.00 3.36 C ATOM 758 CE LYS A 51 13.833 -15.263 -3.159 1.00 4.12 C ATOM 759 NZ LYS A 51 14.440 -16.623 -3.122 1.00 4.81 N ATOM 0 H LYS A 51 12.721 -12.751 0.127 1.00 1.76 H new ATOM 0 HA LYS A 51 13.308 -10.552 -1.633 1.00 1.77 H new ATOM 0 HB2 LYS A 51 12.264 -13.343 -2.261 1.00 2.14 H new ATOM 0 HB3 LYS A 51 13.071 -12.254 -3.371 1.00 2.14 H new ATOM 0 HG2 LYS A 51 15.104 -12.330 -1.826 1.00 2.60 H new ATOM 0 HG3 LYS A 51 14.289 -13.586 -0.917 1.00 2.60 H new ATOM 0 HD2 LYS A 51 15.140 -13.695 -3.839 1.00 3.36 H new ATOM 0 HD3 LYS A 51 15.789 -14.641 -2.514 1.00 3.36 H new ATOM 0 HE2 LYS A 51 13.043 -15.195 -2.412 1.00 4.12 H new ATOM 0 HE3 LYS A 51 13.368 -15.096 -4.131 1.00 4.12 H new ATOM 0 HZ1 LYS A 51 13.705 -17.336 -3.302 1.00 4.81 H new ATOM 0 HZ2 LYS A 51 15.177 -16.694 -3.852 1.00 4.81 H new ATOM 0 HZ3 LYS A 51 14.862 -16.789 -2.186 1.00 4.81 H new ATOM 773 N SER A 52 11.055 -10.435 -3.049 1.00 1.19 N ATOM 774 CA SER A 52 9.760 -9.968 -3.532 1.00 1.04 C ATOM 775 C SER A 52 9.116 -9.020 -2.529 1.00 0.92 C ATOM 776 O SER A 52 8.438 -9.454 -1.598 1.00 1.19 O ATOM 777 CB SER A 52 8.839 -11.158 -3.786 1.00 1.25 C ATOM 778 OG SER A 52 8.738 -11.969 -2.626 1.00 2.03 O ATOM 0 H SER A 52 11.812 -10.349 -3.727 1.00 1.19 H new ATOM 0 HA SER A 52 9.917 -9.427 -4.465 1.00 1.04 H new ATOM 0 HB2 SER A 52 7.850 -10.804 -4.076 1.00 1.25 H new ATOM 0 HB3 SER A 52 9.222 -11.750 -4.618 1.00 1.25 H new ATOM 0 HG SER A 52 8.786 -11.404 -1.827 1.00 2.03 H new ATOM 784 N ASN A 53 9.324 -7.722 -2.729 1.00 0.68 N ATOM 785 CA ASN A 53 8.758 -6.710 -1.845 1.00 0.61 C ATOM 786 C ASN A 53 7.307 -6.438 -2.218 1.00 0.59 C ATOM 787 O ASN A 53 7.002 -5.442 -2.876 1.00 0.99 O ATOM 788 CB ASN A 53 9.566 -5.421 -1.938 1.00 0.60 C ATOM 789 CG ASN A 53 10.224 -5.112 -0.600 1.00 0.89 C ATOM 790 OD1 ASN A 53 9.910 -4.111 0.042 1.00 1.68 O ATOM 791 ND2 ASN A 53 11.141 -5.976 -0.178 1.00 1.28 N ATOM 0 H ASN A 53 9.881 -7.347 -3.497 1.00 0.68 H new ATOM 0 HA ASN A 53 8.797 -7.081 -0.821 1.00 0.61 H new ATOM 0 HB2 ASN A 53 10.327 -5.516 -2.712 1.00 0.60 H new ATOM 0 HB3 ASN A 53 8.916 -4.596 -2.230 1.00 0.60 H new ATOM 0 HD21 ASN A 53 11.616 -5.822 0.711 1.00 1.28 H new ATOM 0 HD22 ASN A 53 11.370 -6.793 -0.744 1.00 1.28 H new ATOM 798 N LEU A 54 6.417 -7.329 -1.800 1.00 0.55 N ATOM 799 CA LEU A 54 4.997 -7.190 -2.096 1.00 0.51 C ATOM 800 C LEU A 54 4.291 -6.393 -1.006 1.00 0.44 C ATOM 801 O LEU A 54 4.165 -6.855 0.128 1.00 0.57 O ATOM 802 CB LEU A 54 4.354 -8.568 -2.221 1.00 0.65 C ATOM 803 CG LEU A 54 4.358 -9.062 -3.664 1.00 0.82 C ATOM 804 CD1 LEU A 54 5.373 -10.187 -3.845 1.00 1.49 C ATOM 805 CD2 LEU A 54 2.963 -9.522 -4.081 1.00 1.49 C ATOM 0 H LEU A 54 6.654 -8.157 -1.254 1.00 0.55 H new ATOM 0 HA LEU A 54 4.896 -6.654 -3.040 1.00 0.51 H new ATOM 0 HB2 LEU A 54 4.890 -9.278 -1.591 1.00 0.65 H new ATOM 0 HB3 LEU A 54 3.329 -8.526 -1.853 1.00 0.65 H new ATOM 0 HG LEU A 54 4.650 -8.232 -4.308 1.00 0.82 H new ATOM 0 HD11 LEU A 54 5.360 -10.525 -4.881 1.00 1.49 H new ATOM 0 HD12 LEU A 54 6.369 -9.822 -3.595 1.00 1.49 H new ATOM 0 HD13 LEU A 54 5.116 -11.018 -3.189 1.00 1.49 H new ATOM 0 HD21 LEU A 54 2.988 -9.870 -5.114 1.00 1.49 H new ATOM 0 HD22 LEU A 54 2.639 -10.335 -3.432 1.00 1.49 H new ATOM 0 HD23 LEU A 54 2.265 -8.689 -3.996 1.00 1.49 H new ATOM 817 N ILE A 55 3.823 -5.200 -1.357 1.00 0.31 N ATOM 818 CA ILE A 55 3.117 -4.349 -0.407 1.00 0.26 C ATOM 819 C ILE A 55 1.683 -4.834 -0.249 1.00 0.27 C ATOM 820 O ILE A 55 1.016 -5.150 -1.234 1.00 0.34 O ATOM 821 CB ILE A 55 3.128 -2.900 -0.882 1.00 0.27 C ATOM 822 CG1 ILE A 55 4.561 -2.428 -1.132 1.00 0.31 C ATOM 823 CG2 ILE A 55 2.430 -1.996 0.130 1.00 0.31 C ATOM 824 CD1 ILE A 55 4.615 -0.944 -1.485 1.00 0.35 C ATOM 0 H ILE A 55 3.920 -4.801 -2.291 1.00 0.31 H new ATOM 0 HA ILE A 55 3.623 -4.403 0.557 1.00 0.26 H new ATOM 0 HB ILE A 55 2.580 -2.843 -1.823 1.00 0.27 H new ATOM 0 HG12 ILE A 55 5.165 -2.613 -0.243 1.00 0.31 H new ATOM 0 HG13 ILE A 55 5.000 -3.011 -1.942 1.00 0.31 H new ATOM 0 HG21 ILE A 55 2.449 -0.967 -0.228 1.00 0.31 H new ATOM 0 HG22 ILE A 55 1.396 -2.318 0.253 1.00 0.31 H new ATOM 0 HG23 ILE A 55 2.946 -2.056 1.088 1.00 0.31 H new ATOM 0 HD11 ILE A 55 5.650 -0.648 -1.655 1.00 0.35 H new ATOM 0 HD12 ILE A 55 4.033 -0.764 -2.389 1.00 0.35 H new ATOM 0 HD13 ILE A 55 4.201 -0.359 -0.664 1.00 0.35 H new ATOM 836 N ARG A 56 1.214 -4.907 0.991 1.00 0.29 N ATOM 837 CA ARG A 56 -0.139 -5.374 1.263 1.00 0.32 C ATOM 838 C ARG A 56 -1.089 -4.209 1.517 1.00 0.29 C ATOM 839 O ARG A 56 -0.942 -3.470 2.489 1.00 0.42 O ATOM 840 CB ARG A 56 -0.136 -6.312 2.464 1.00 0.42 C ATOM 841 CG ARG A 56 0.518 -7.650 2.127 1.00 0.55 C ATOM 842 CD ARG A 56 1.752 -7.902 2.989 1.00 0.84 C ATOM 843 NE ARG A 56 2.363 -9.179 2.646 1.00 1.44 N ATOM 844 CZ ARG A 56 1.850 -10.332 3.063 1.00 1.77 C ATOM 845 NH1 ARG A 56 2.065 -10.746 4.303 1.00 2.19 N ATOM 846 NH2 ARG A 56 1.121 -11.073 2.239 1.00 2.33 N ATOM 0 H ARG A 56 1.749 -4.650 1.821 1.00 0.29 H new ATOM 0 HA ARG A 56 -0.491 -5.912 0.383 1.00 0.32 H new ATOM 0 HB2 ARG A 56 0.397 -5.844 3.292 1.00 0.42 H new ATOM 0 HB3 ARG A 56 -1.160 -6.480 2.798 1.00 0.42 H new ATOM 0 HG2 ARG A 56 -0.201 -8.455 2.275 1.00 0.55 H new ATOM 0 HG3 ARG A 56 0.799 -7.664 1.074 1.00 0.55 H new ATOM 0 HD2 ARG A 56 2.473 -7.097 2.846 1.00 0.84 H new ATOM 0 HD3 ARG A 56 1.474 -7.897 4.043 1.00 0.84 H new ATOM 0 HE ARG A 56 3.206 -9.189 2.071 1.00 1.44 H new ATOM 0 HH11 ARG A 56 2.625 -10.180 4.940 1.00 2.19 H new ATOM 0 HH12 ARG A 56 1.670 -11.631 4.621 1.00 2.19 H new ATOM 0 HH21 ARG A 56 0.953 -10.758 1.283 1.00 2.33 H new ATOM 0 HH22 ARG A 56 0.728 -11.958 2.561 1.00 2.33 H new ATOM 860 N ILE A 57 -2.074 -4.068 0.638 1.00 0.24 N ATOM 861 CA ILE A 57 -3.075 -3.014 0.754 1.00 0.24 C ATOM 862 C ILE A 57 -4.443 -3.637 1.002 1.00 0.26 C ATOM 863 O ILE A 57 -4.711 -4.751 0.551 1.00 0.40 O ATOM 864 CB ILE A 57 -3.112 -2.180 -0.521 1.00 0.26 C ATOM 865 CG1 ILE A 57 -1.698 -1.844 -0.986 1.00 0.28 C ATOM 866 CG2 ILE A 57 -3.925 -0.907 -0.312 1.00 0.35 C ATOM 867 CD1 ILE A 57 -0.976 -0.944 0.014 1.00 1.32 C ATOM 0 H ILE A 57 -2.201 -4.677 -0.170 1.00 0.24 H new ATOM 0 HA ILE A 57 -2.813 -2.365 1.590 1.00 0.24 H new ATOM 0 HB ILE A 57 -3.597 -2.770 -1.298 1.00 0.26 H new ATOM 0 HG12 ILE A 57 -1.131 -2.765 -1.123 1.00 0.28 H new ATOM 0 HG13 ILE A 57 -1.741 -1.349 -1.956 1.00 0.28 H new ATOM 0 HG21 ILE A 57 -3.938 -0.328 -1.235 1.00 0.35 H new ATOM 0 HG22 ILE A 57 -4.946 -1.169 -0.034 1.00 0.35 H new ATOM 0 HG23 ILE A 57 -3.473 -0.313 0.483 1.00 0.35 H new ATOM 0 HD11 ILE A 57 0.028 -0.726 -0.351 1.00 1.32 H new ATOM 0 HD12 ILE A 57 -1.530 -0.012 0.131 1.00 1.32 H new ATOM 0 HD13 ILE A 57 -0.910 -1.450 0.977 1.00 1.32 H new ATOM 879 N GLU A 58 -5.306 -2.929 1.720 1.00 0.23 N ATOM 880 CA GLU A 58 -6.637 -3.446 2.015 1.00 0.25 C ATOM 881 C GLU A 58 -7.545 -2.356 2.564 1.00 0.24 C ATOM 882 O GLU A 58 -7.128 -1.526 3.371 1.00 0.26 O ATOM 883 CB GLU A 58 -6.535 -4.588 3.020 1.00 0.32 C ATOM 884 CG GLU A 58 -7.907 -5.162 3.361 1.00 0.37 C ATOM 885 CD GLU A 58 -7.775 -6.258 4.410 1.00 0.82 C ATOM 886 OE1 GLU A 58 -6.898 -6.137 5.290 1.00 1.47 O ATOM 887 OE2 GLU A 58 -8.552 -7.235 4.352 1.00 1.56 O ATOM 0 H GLU A 58 -5.112 -2.005 2.105 1.00 0.23 H new ATOM 0 HA GLU A 58 -7.072 -3.812 1.085 1.00 0.25 H new ATOM 0 HB2 GLU A 58 -5.902 -5.376 2.613 1.00 0.32 H new ATOM 0 HB3 GLU A 58 -6.053 -4.230 3.930 1.00 0.32 H new ATOM 0 HG2 GLU A 58 -8.558 -4.370 3.732 1.00 0.37 H new ATOM 0 HG3 GLU A 58 -8.374 -5.564 2.462 1.00 0.37 H new ATOM 894 N GLY A 59 -8.795 -2.377 2.118 1.00 0.25 N ATOM 895 CA GLY A 59 -9.792 -1.407 2.548 1.00 0.27 C ATOM 896 C GLY A 59 -11.187 -1.978 2.352 1.00 0.39 C ATOM 897 O GLY A 59 -11.499 -3.058 2.856 1.00 0.59 O ATOM 0 H GLY A 59 -9.144 -3.065 1.451 1.00 0.25 H new ATOM 0 HA2 GLY A 59 -9.637 -1.154 3.597 1.00 0.27 H new ATOM 0 HA3 GLY A 59 -9.684 -0.484 1.978 1.00 0.27 H new ATOM 901 N ASP A 60 -12.022 -1.267 1.605 1.00 0.53 N ATOM 902 CA ASP A 60 -13.375 -1.738 1.347 1.00 0.70 C ATOM 903 C ASP A 60 -13.935 -1.141 0.062 1.00 0.59 C ATOM 904 O ASP A 60 -14.152 -1.856 -0.916 1.00 1.04 O ATOM 905 CB ASP A 60 -14.285 -1.411 2.527 1.00 1.22 C ATOM 906 CG ASP A 60 -14.553 -2.664 3.351 1.00 1.93 C ATOM 907 OD1 ASP A 60 -13.728 -2.983 4.233 1.00 2.66 O ATOM 908 OD2 ASP A 60 -15.586 -3.323 3.113 1.00 2.31 O ATOM 0 H ASP A 60 -11.790 -0.373 1.172 1.00 0.53 H new ATOM 0 HA ASP A 60 -13.335 -2.820 1.222 1.00 0.70 H new ATOM 0 HB2 ASP A 60 -13.821 -0.649 3.153 1.00 1.22 H new ATOM 0 HB3 ASP A 60 -15.226 -0.997 2.165 1.00 1.22 H new ATOM 913 N PRO A 61 -14.177 0.178 0.035 1.00 0.72 N ATOM 914 CA PRO A 61 -14.713 0.843 -1.157 1.00 1.14 C ATOM 915 C PRO A 61 -13.679 0.917 -2.271 1.00 0.88 C ATOM 916 O PRO A 61 -12.573 0.392 -2.138 1.00 1.22 O ATOM 917 CB PRO A 61 -15.094 2.233 -0.655 1.00 1.82 C ATOM 918 CG PRO A 61 -14.225 2.469 0.534 1.00 1.82 C ATOM 919 CD PRO A 61 -13.947 1.121 1.144 1.00 1.17 C ATOM 0 HA PRO A 61 -15.556 0.306 -1.592 1.00 1.14 H new ATOM 0 HB2 PRO A 61 -14.926 2.989 -1.422 1.00 1.82 H new ATOM 0 HB3 PRO A 61 -16.150 2.280 -0.387 1.00 1.82 H new ATOM 0 HG2 PRO A 61 -13.297 2.960 0.243 1.00 1.82 H new ATOM 0 HG3 PRO A 61 -14.721 3.123 1.251 1.00 1.82 H new ATOM 0 HD2 PRO A 61 -12.926 1.055 1.520 1.00 1.17 H new ATOM 0 HD3 PRO A 61 -14.610 0.918 1.985 1.00 1.17 H new ATOM 927 N GLN A 62 -14.039 1.575 -3.365 1.00 0.64 N ATOM 928 CA GLN A 62 -13.135 1.721 -4.498 1.00 0.47 C ATOM 929 C GLN A 62 -11.802 2.313 -4.047 1.00 0.41 C ATOM 930 O GLN A 62 -10.785 2.155 -4.720 1.00 0.47 O ATOM 931 CB GLN A 62 -13.767 2.615 -5.560 1.00 0.69 C ATOM 932 CG GLN A 62 -14.816 1.862 -6.375 1.00 0.85 C ATOM 933 CD GLN A 62 -15.508 2.807 -7.349 1.00 1.34 C ATOM 934 OE1 GLN A 62 -16.734 2.907 -7.368 1.00 2.14 O ATOM 935 NE2 GLN A 62 -14.720 3.502 -8.163 1.00 1.73 N ATOM 0 H GLN A 62 -14.950 2.016 -3.492 1.00 0.64 H new ATOM 0 HA GLN A 62 -12.952 0.734 -4.924 1.00 0.47 H new ATOM 0 HB2 GLN A 62 -14.228 3.479 -5.082 1.00 0.69 H new ATOM 0 HB3 GLN A 62 -12.992 2.995 -6.225 1.00 0.69 H new ATOM 0 HG2 GLN A 62 -14.344 1.046 -6.923 1.00 0.85 H new ATOM 0 HG3 GLN A 62 -15.552 1.414 -5.708 1.00 0.85 H new ATOM 0 HE21 GLN A 62 -13.708 3.388 -8.113 1.00 1.73 H new ATOM 0 HE22 GLN A 62 -15.128 4.149 -8.838 1.00 1.73 H new ATOM 944 N GLY A 63 -11.815 3.002 -2.909 1.00 0.37 N ATOM 945 CA GLY A 63 -10.613 3.626 -2.369 1.00 0.34 C ATOM 946 C GLY A 63 -9.448 2.646 -2.285 1.00 0.27 C ATOM 947 O GLY A 63 -8.304 3.017 -2.547 1.00 0.29 O ATOM 0 H GLY A 63 -12.651 3.142 -2.341 1.00 0.37 H new ATOM 0 HA2 GLY A 63 -10.331 4.472 -2.996 1.00 0.34 H new ATOM 0 HA3 GLY A 63 -10.825 4.022 -1.376 1.00 0.34 H new ATOM 951 N VAL A 64 -9.727 1.399 -1.906 1.00 0.24 N ATOM 952 CA VAL A 64 -8.671 0.401 -1.782 1.00 0.21 C ATOM 953 C VAL A 64 -8.096 0.030 -3.149 1.00 0.24 C ATOM 954 O VAL A 64 -6.878 0.005 -3.329 1.00 0.28 O ATOM 955 CB VAL A 64 -9.174 -0.848 -1.038 1.00 0.24 C ATOM 956 CG1 VAL A 64 -9.971 -1.784 -1.943 1.00 0.30 C ATOM 957 CG2 VAL A 64 -7.993 -1.586 -0.419 1.00 0.26 C ATOM 0 H VAL A 64 -10.663 1.061 -1.683 1.00 0.24 H new ATOM 0 HA VAL A 64 -7.867 0.842 -1.192 1.00 0.21 H new ATOM 0 HB VAL A 64 -9.853 -0.514 -0.253 1.00 0.24 H new ATOM 0 HG11 VAL A 64 -10.303 -2.649 -1.369 1.00 0.30 H new ATOM 0 HG12 VAL A 64 -10.839 -1.256 -2.338 1.00 0.30 H new ATOM 0 HG13 VAL A 64 -9.341 -2.116 -2.768 1.00 0.30 H new ATOM 0 HG21 VAL A 64 -8.352 -2.470 0.107 1.00 0.26 H new ATOM 0 HG22 VAL A 64 -7.300 -1.888 -1.205 1.00 0.26 H new ATOM 0 HG23 VAL A 64 -7.481 -0.929 0.284 1.00 0.26 H new ATOM 967 N GLN A 65 -8.971 -0.258 -4.106 1.00 0.25 N ATOM 968 CA GLN A 65 -8.532 -0.626 -5.450 1.00 0.30 C ATOM 969 C GLN A 65 -7.913 0.574 -6.154 1.00 0.30 C ATOM 970 O GLN A 65 -7.036 0.422 -7.004 1.00 0.34 O ATOM 971 CB GLN A 65 -9.710 -1.157 -6.263 1.00 0.37 C ATOM 972 CG GLN A 65 -10.742 -0.067 -6.537 1.00 0.42 C ATOM 973 CD GLN A 65 -11.791 -0.567 -7.520 1.00 0.78 C ATOM 974 OE1 GLN A 65 -12.475 -1.558 -7.264 1.00 1.56 O ATOM 975 NE2 GLN A 65 -11.921 0.120 -8.649 1.00 0.82 N ATOM 0 H GLN A 65 -9.983 -0.244 -3.979 1.00 0.25 H new ATOM 0 HA GLN A 65 -7.779 -1.409 -5.365 1.00 0.30 H new ATOM 0 HB2 GLN A 65 -9.347 -1.561 -7.208 1.00 0.37 H new ATOM 0 HB3 GLN A 65 -10.183 -1.979 -5.725 1.00 0.37 H new ATOM 0 HG2 GLN A 65 -11.221 0.232 -5.605 1.00 0.42 H new ATOM 0 HG3 GLN A 65 -10.248 0.817 -6.940 1.00 0.42 H new ATOM 0 HE21 GLN A 65 -11.333 0.936 -8.820 1.00 0.82 H new ATOM 0 HE22 GLN A 65 -12.609 -0.168 -9.345 1.00 0.82 H new ATOM 984 N GLN A 66 -8.370 1.767 -5.789 1.00 0.29 N ATOM 985 CA GLN A 66 -7.857 2.998 -6.378 1.00 0.31 C ATOM 986 C GLN A 66 -6.482 3.314 -5.811 1.00 0.29 C ATOM 987 O GLN A 66 -5.561 3.666 -6.547 1.00 0.36 O ATOM 988 CB GLN A 66 -8.815 4.152 -6.095 1.00 0.35 C ATOM 989 CG GLN A 66 -8.763 5.208 -7.195 1.00 0.79 C ATOM 990 CD GLN A 66 -9.906 5.000 -8.179 1.00 1.10 C ATOM 991 OE1 GLN A 66 -9.683 4.735 -9.360 1.00 2.03 O ATOM 992 NE2 GLN A 66 -11.136 5.123 -7.693 1.00 1.31 N ATOM 0 H GLN A 66 -9.096 1.907 -5.087 1.00 0.29 H new ATOM 0 HA GLN A 66 -7.773 2.864 -7.456 1.00 0.31 H new ATOM 0 HB2 GLN A 66 -9.831 3.768 -6.006 1.00 0.35 H new ATOM 0 HB3 GLN A 66 -8.562 4.609 -5.139 1.00 0.35 H new ATOM 0 HG2 GLN A 66 -8.828 6.204 -6.756 1.00 0.79 H new ATOM 0 HG3 GLN A 66 -7.808 5.152 -7.718 1.00 0.79 H new ATOM 0 HE21 GLN A 66 -11.275 5.344 -6.707 1.00 1.31 H new ATOM 0 HE22 GLN A 66 -11.942 4.997 -8.306 1.00 1.31 H new ATOM 1001 N ALA A 67 -6.348 3.180 -4.495 1.00 0.26 N ATOM 1002 CA ALA A 67 -5.084 3.442 -3.822 1.00 0.27 C ATOM 1003 C ALA A 67 -4.049 2.404 -4.229 1.00 0.26 C ATOM 1004 O ALA A 67 -2.883 2.731 -4.459 1.00 0.30 O ATOM 1005 CB ALA A 67 -5.280 3.414 -2.309 1.00 0.29 C ATOM 0 H ALA A 67 -7.103 2.890 -3.873 1.00 0.26 H new ATOM 0 HA ALA A 67 -4.729 4.430 -4.116 1.00 0.27 H new ATOM 0 HB1 ALA A 67 -4.328 3.611 -1.815 1.00 0.29 H new ATOM 0 HB2 ALA A 67 -6.003 4.177 -2.022 1.00 0.29 H new ATOM 0 HB3 ALA A 67 -5.649 2.433 -2.008 1.00 0.29 H new ATOM 1011 N LYS A 68 -4.483 1.152 -4.328 1.00 0.25 N ATOM 1012 CA LYS A 68 -3.595 0.066 -4.720 1.00 0.28 C ATOM 1013 C LYS A 68 -3.049 0.325 -6.118 1.00 0.31 C ATOM 1014 O LYS A 68 -1.840 0.271 -6.346 1.00 0.44 O ATOM 1015 CB LYS A 68 -4.350 -1.261 -4.687 1.00 0.32 C ATOM 1016 CG LYS A 68 -3.486 -2.412 -5.192 1.00 0.37 C ATOM 1017 CD LYS A 68 -4.160 -3.156 -6.341 1.00 0.43 C ATOM 1018 CE LYS A 68 -3.320 -4.336 -6.818 1.00 0.57 C ATOM 1019 NZ LYS A 68 -4.172 -5.406 -7.407 1.00 0.88 N ATOM 0 H LYS A 68 -5.444 0.865 -4.142 1.00 0.25 H new ATOM 0 HA LYS A 68 -2.762 0.014 -4.019 1.00 0.28 H new ATOM 0 HB2 LYS A 68 -4.675 -1.470 -3.668 1.00 0.32 H new ATOM 0 HB3 LYS A 68 -5.249 -1.184 -5.299 1.00 0.32 H new ATOM 0 HG2 LYS A 68 -2.522 -2.026 -5.523 1.00 0.37 H new ATOM 0 HG3 LYS A 68 -3.288 -3.105 -4.375 1.00 0.37 H new ATOM 0 HD2 LYS A 68 -5.139 -3.512 -6.020 1.00 0.43 H new ATOM 0 HD3 LYS A 68 -4.327 -2.469 -7.171 1.00 0.43 H new ATOM 0 HE2 LYS A 68 -2.598 -3.994 -7.559 1.00 0.57 H new ATOM 0 HE3 LYS A 68 -2.751 -4.741 -5.981 1.00 0.57 H new ATOM 0 HZ1 LYS A 68 -4.110 -6.262 -6.819 1.00 0.88 H new ATOM 0 HZ2 LYS A 68 -5.160 -5.082 -7.445 1.00 0.88 H new ATOM 0 HZ3 LYS A 68 -3.842 -5.622 -8.369 1.00 0.88 H new ATOM 1033 N ARG A 69 -3.951 0.625 -7.048 1.00 0.36 N ATOM 1034 CA ARG A 69 -3.566 0.912 -8.424 1.00 0.43 C ATOM 1035 C ARG A 69 -2.706 2.166 -8.471 1.00 0.42 C ATOM 1036 O ARG A 69 -1.820 2.294 -9.316 1.00 0.46 O ATOM 1037 CB ARG A 69 -4.811 1.101 -9.285 1.00 0.50 C ATOM 1038 CG ARG A 69 -4.525 0.835 -10.760 1.00 1.02 C ATOM 1039 CD ARG A 69 -4.544 2.123 -11.575 1.00 1.36 C ATOM 1040 NE ARG A 69 -4.833 1.833 -12.975 1.00 1.81 N ATOM 1041 CZ ARG A 69 -5.514 2.683 -13.738 1.00 2.35 C ATOM 1042 NH1 ARG A 69 -6.790 2.934 -13.478 1.00 2.76 N ATOM 1043 NH2 ARG A 69 -4.920 3.279 -14.764 1.00 2.98 N ATOM 0 H ARG A 69 -4.954 0.675 -6.872 1.00 0.36 H new ATOM 0 HA ARG A 69 -2.990 0.072 -8.814 1.00 0.43 H new ATOM 0 HB2 ARG A 69 -5.597 0.429 -8.940 1.00 0.50 H new ATOM 0 HB3 ARG A 69 -5.185 2.118 -9.165 1.00 0.50 H new ATOM 0 HG2 ARG A 69 -3.552 0.353 -10.862 1.00 1.02 H new ATOM 0 HG3 ARG A 69 -5.267 0.142 -11.156 1.00 1.02 H new ATOM 0 HD2 ARG A 69 -5.296 2.803 -11.175 1.00 1.36 H new ATOM 0 HD3 ARG A 69 -3.581 2.628 -11.492 1.00 1.36 H new ATOM 0 HE ARG A 69 -4.504 0.956 -13.379 1.00 1.81 H new ATOM 0 HH11 ARG A 69 -7.250 2.475 -12.692 1.00 2.76 H new ATOM 0 HH12 ARG A 69 -7.311 3.586 -14.064 1.00 2.76 H new ATOM 0 HH21 ARG A 69 -3.940 3.085 -14.968 1.00 2.98 H new ATOM 0 HH22 ARG A 69 -5.444 3.931 -15.348 1.00 2.98 H new ATOM 1057 N GLU A 70 -2.971 3.088 -7.551 1.00 0.40 N ATOM 1058 CA GLU A 70 -2.221 4.334 -7.474 1.00 0.43 C ATOM 1059 C GLU A 70 -0.768 4.052 -7.116 1.00 0.44 C ATOM 1060 O GLU A 70 0.149 4.605 -7.723 1.00 0.56 O ATOM 1061 CB GLU A 70 -2.845 5.255 -6.428 1.00 0.44 C ATOM 1062 CG GLU A 70 -2.572 6.724 -6.735 1.00 0.59 C ATOM 1063 CD GLU A 70 -3.603 7.258 -7.721 1.00 0.82 C ATOM 1064 OE1 GLU A 70 -3.917 6.547 -8.697 1.00 1.50 O ATOM 1065 OE2 GLU A 70 -4.094 8.388 -7.514 1.00 1.38 O ATOM 0 H GLU A 70 -3.703 2.994 -6.846 1.00 0.40 H new ATOM 0 HA GLU A 70 -2.255 4.825 -8.447 1.00 0.43 H new ATOM 0 HB2 GLU A 70 -3.921 5.085 -6.389 1.00 0.44 H new ATOM 0 HB3 GLU A 70 -2.448 5.009 -5.443 1.00 0.44 H new ATOM 0 HG2 GLU A 70 -2.603 7.307 -5.814 1.00 0.59 H new ATOM 0 HG3 GLU A 70 -1.570 6.836 -7.150 1.00 0.59 H new ATOM 1072 N LEU A 71 -0.567 3.183 -6.131 1.00 0.40 N ATOM 1073 CA LEU A 71 0.776 2.820 -5.696 1.00 0.47 C ATOM 1074 C LEU A 71 1.571 2.246 -6.860 1.00 0.52 C ATOM 1075 O LEU A 71 2.706 2.654 -7.110 1.00 0.60 O ATOM 1076 CB LEU A 71 0.702 1.796 -4.568 1.00 0.51 C ATOM 1077 CG LEU A 71 0.424 2.457 -3.221 1.00 0.78 C ATOM 1078 CD1 LEU A 71 -0.362 1.516 -2.312 1.00 1.08 C ATOM 1079 CD2 LEU A 71 1.726 2.889 -2.553 1.00 1.15 C ATOM 0 H LEU A 71 -1.317 2.718 -5.619 1.00 0.40 H new ATOM 0 HA LEU A 71 1.278 3.717 -5.333 1.00 0.47 H new ATOM 0 HB2 LEU A 71 -0.082 1.071 -4.786 1.00 0.51 H new ATOM 0 HB3 LEU A 71 1.641 1.244 -4.516 1.00 0.51 H new ATOM 0 HG LEU A 71 -0.180 3.347 -3.396 1.00 0.78 H new ATOM 0 HD11 LEU A 71 -0.550 2.006 -1.357 1.00 1.08 H new ATOM 0 HD12 LEU A 71 -1.312 1.264 -2.784 1.00 1.08 H new ATOM 0 HD13 LEU A 71 0.214 0.606 -2.146 1.00 1.08 H new ATOM 0 HD21 LEU A 71 1.505 3.358 -1.594 1.00 1.15 H new ATOM 0 HD22 LEU A 71 2.360 2.017 -2.393 1.00 1.15 H new ATOM 0 HD23 LEU A 71 2.245 3.602 -3.194 1.00 1.15 H new ATOM 1091 N LEU A 72 0.967 1.299 -7.571 1.00 0.52 N ATOM 1092 CA LEU A 72 1.617 0.668 -8.714 1.00 0.63 C ATOM 1093 C LEU A 72 1.865 1.690 -9.816 1.00 0.67 C ATOM 1094 O LEU A 72 2.962 1.768 -10.369 1.00 0.83 O ATOM 1095 CB LEU A 72 0.752 -0.470 -9.245 1.00 0.66 C ATOM 1096 CG LEU A 72 1.594 -1.681 -9.635 1.00 0.88 C ATOM 1097 CD1 LEU A 72 0.711 -2.805 -10.167 1.00 1.04 C ATOM 1098 CD2 LEU A 72 2.652 -1.294 -10.664 1.00 1.99 C ATOM 0 H LEU A 72 0.028 0.952 -7.376 1.00 0.52 H new ATOM 0 HA LEU A 72 2.576 0.265 -8.389 1.00 0.63 H new ATOM 0 HB2 LEU A 72 0.026 -0.760 -8.486 1.00 0.66 H new ATOM 0 HB3 LEU A 72 0.187 -0.125 -10.111 1.00 0.66 H new ATOM 0 HG LEU A 72 2.103 -2.042 -8.742 1.00 0.88 H new ATOM 0 HD11 LEU A 72 1.332 -3.658 -10.439 1.00 1.04 H new ATOM 0 HD12 LEU A 72 0.000 -3.105 -9.397 1.00 1.04 H new ATOM 0 HD13 LEU A 72 0.169 -2.457 -11.046 1.00 1.04 H new ATOM 0 HD21 LEU A 72 3.241 -2.172 -10.928 1.00 1.99 H new ATOM 0 HD22 LEU A 72 2.165 -0.902 -11.557 1.00 1.99 H new ATOM 0 HD23 LEU A 72 3.307 -0.531 -10.243 1.00 1.99 H new ATOM 1110 N GLU A 73 0.837 2.472 -10.130 1.00 0.64 N ATOM 1111 CA GLU A 73 0.939 3.492 -11.169 1.00 0.74 C ATOM 1112 C GLU A 73 1.921 4.581 -10.754 1.00 0.71 C ATOM 1113 O GLU A 73 3.072 4.591 -11.190 1.00 0.88 O ATOM 1114 CB GLU A 73 -0.433 4.106 -11.432 1.00 0.82 C ATOM 1115 CG GLU A 73 -1.083 3.515 -12.680 1.00 1.00 C ATOM 1116 CD GLU A 73 -1.923 4.570 -13.388 1.00 1.41 C ATOM 1117 OE1 GLU A 73 -3.122 4.696 -13.061 1.00 2.01 O ATOM 1118 OE2 GLU A 73 -1.380 5.269 -14.270 1.00 2.05 O ATOM 0 H GLU A 73 -0.077 2.419 -9.680 1.00 0.64 H new ATOM 0 HA GLU A 73 1.304 3.022 -12.082 1.00 0.74 H new ATOM 0 HB2 GLU A 73 -1.079 3.938 -10.570 1.00 0.82 H new ATOM 0 HB3 GLU A 73 -0.333 5.185 -11.549 1.00 0.82 H new ATOM 0 HG2 GLU A 73 -0.314 3.139 -13.355 1.00 1.00 H new ATOM 0 HG3 GLU A 73 -1.709 2.666 -12.405 1.00 1.00 H new ATOM 1125 N LEU A 74 1.459 5.498 -9.910 1.00 0.64 N ATOM 1126 CA LEU A 74 2.295 6.595 -9.435 1.00 0.71 C ATOM 1127 C LEU A 74 3.607 6.067 -8.869 1.00 0.82 C ATOM 1128 O LEU A 74 4.686 6.446 -9.322 1.00 1.13 O ATOM 1129 CB LEU A 74 1.551 7.390 -8.366 1.00 0.85 C ATOM 1130 CG LEU A 74 0.337 8.110 -8.946 1.00 0.99 C ATOM 1131 CD1 LEU A 74 -0.397 8.893 -7.862 1.00 1.19 C ATOM 1132 CD2 LEU A 74 0.751 9.031 -10.090 1.00 1.32 C ATOM 0 H LEU A 74 0.508 5.503 -9.540 1.00 0.64 H new ATOM 0 HA LEU A 74 2.520 7.248 -10.278 1.00 0.71 H new ATOM 0 HB2 LEU A 74 1.231 6.719 -7.569 1.00 0.85 H new ATOM 0 HB3 LEU A 74 2.227 8.118 -7.917 1.00 0.85 H new ATOM 0 HG LEU A 74 -0.345 7.359 -9.343 1.00 0.99 H new ATOM 0 HD11 LEU A 74 -1.259 9.398 -8.298 1.00 1.19 H new ATOM 0 HD12 LEU A 74 -0.734 8.208 -7.083 1.00 1.19 H new ATOM 0 HD13 LEU A 74 0.276 9.633 -7.429 1.00 1.19 H new ATOM 0 HD21 LEU A 74 -0.130 9.534 -10.489 1.00 1.32 H new ATOM 0 HD22 LEU A 74 1.458 9.774 -9.721 1.00 1.32 H new ATOM 0 HD23 LEU A 74 1.221 8.443 -10.878 1.00 1.32 H new ATOM 1144 N ALA A 75 3.507 5.190 -7.875 1.00 0.78 N ATOM 1145 CA ALA A 75 4.688 4.609 -7.247 1.00 0.99 C ATOM 1146 C ALA A 75 5.649 5.703 -6.797 1.00 1.70 C ATOM 1147 O ALA A 75 6.745 5.841 -7.339 1.00 2.16 O ATOM 1148 CB ALA A 75 5.391 3.673 -8.226 1.00 1.14 C ATOM 0 H ALA A 75 2.621 4.866 -7.487 1.00 0.78 H new ATOM 0 HA ALA A 75 4.371 4.042 -6.372 1.00 0.99 H new ATOM 0 HB1 ALA A 75 6.272 3.243 -7.749 1.00 1.14 H new ATOM 0 HB2 ALA A 75 4.710 2.874 -8.518 1.00 1.14 H new ATOM 0 HB3 ALA A 75 5.694 4.233 -9.111 1.00 1.14 H new