USER MOD reduce.3.24.130724 H: found=0, std=0, add=980, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 981 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 44 THR OG1 : rot 180:sc= -0.625 USER MOD Set 1.2: A 69 MET CE :methyl -115:sc= -12.7! (180deg=-16.8!) USER MOD Set 2.1: A 20 ASN : amide:sc= -0.463 K(o=-8.2,f=0.18) USER MOD Set 2.2: A 24 ASN : amide:sc= -6.58! K(o=-8.2!,f=0.18) USER MOD Set 2.3: A 30 THR OG1 : rot 91:sc= -1.2 USER MOD Single : A 5 LYS NZ :NH3+ 173:sc= -1.4! (180deg=-1.54!) USER MOD Single : A 12 GLN : amide:sc= -0.662 K(o=-0.66,f=-4.9!) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 TYR OH : rot -163:sc= -1.09! USER MOD Single : A 29 GLN : amide:sc= -1.05 K(o=-1,f=0) USER MOD Single : A 32 GLN : amide:sc= -1.66! C(o=-1.7!,f=-8.7!) USER MOD Single : A 35 ASN : amide:sc= -2.58! C(o=-2.6!,f=-6.8!) USER MOD Single : A 38 GLN : amide:sc= -3.38! C(o=-3.4!,f=-2.9!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= -0.0339 (180deg=-0.0339) USER MOD Single : A 55 MET CE :methyl 162:sc= -1.45 (180deg=-1.93) USER MOD Single : A 56 LYS NZ :NH3+ -172:sc= 1.3 (180deg=1.27) USER MOD Single : A 60 MET CE :methyl -156:sc= -0.264 (180deg=-1.08) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= 0.414 X(o=0.41,f=0.051) USER MOD Single : A 81 MET CE :methyl 178:sc= -0.999 (180deg=-1.01) USER MOD Single : A 82 THR OG1 : rot -56:sc= 0.145 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 91 GLN : amide:sc= -0.252 K(o=-0.25,f=-0.99) USER MOD Single : A 93 SER OG : rot 130:sc= -0.188 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0.502 USER MOD Single : A 101 HIS : no HD1:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 LYS NZ :NH3+ 142:sc= 0.362 (180deg=0.0103) USER MOD Single : A 117 LYS NZ :NH3+ -110:sc= 0.744 (180deg=-0.25) USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 51 N GLU A 4 5.533 -11.933 -1.992 1.00 0.63 N ATOM 52 CA GLU A 4 5.623 -10.645 -1.344 1.00 0.52 C ATOM 53 C GLU A 4 5.107 -9.562 -2.293 1.00 0.40 C ATOM 54 O GLU A 4 5.833 -9.011 -3.122 1.00 0.47 O ATOM 55 CB GLU A 4 7.041 -10.365 -0.803 1.00 0.62 C ATOM 56 CG GLU A 4 8.169 -10.317 -1.830 1.00 1.08 C ATOM 57 CD GLU A 4 8.346 -11.600 -2.615 1.00 1.31 C ATOM 58 OE1 GLU A 4 8.495 -12.665 -1.984 1.00 1.51 O ATOM 59 OE2 GLU A 4 8.334 -11.549 -3.860 1.00 1.90 O ATOM 0 HA GLU A 4 4.985 -10.642 -0.461 1.00 0.52 H new ATOM 0 HB2 GLU A 4 7.021 -9.412 -0.274 1.00 0.62 H new ATOM 0 HB3 GLU A 4 7.283 -11.133 -0.068 1.00 0.62 H new ATOM 0 HG2 GLU A 4 7.977 -9.501 -2.527 1.00 1.08 H new ATOM 0 HG3 GLU A 4 9.103 -10.086 -1.318 1.00 1.08 H new ATOM 66 N LYS A 5 3.810 -9.310 -2.182 1.00 0.31 N ATOM 67 CA LYS A 5 3.086 -8.484 -3.135 1.00 0.26 C ATOM 68 C LYS A 5 2.631 -7.179 -2.514 1.00 0.21 C ATOM 69 O LYS A 5 2.475 -7.086 -1.301 1.00 0.21 O ATOM 70 CB LYS A 5 1.852 -9.215 -3.609 1.00 0.29 C ATOM 71 CG LYS A 5 1.361 -8.746 -4.967 1.00 0.34 C ATOM 72 CD LYS A 5 -0.148 -8.601 -5.006 1.00 0.39 C ATOM 73 CE LYS A 5 -0.817 -9.946 -5.169 1.00 0.39 C ATOM 74 NZ LYS A 5 -0.298 -10.664 -6.368 1.00 0.56 N ATOM 0 H LYS A 5 3.230 -9.674 -1.426 1.00 0.31 H new ATOM 0 HA LYS A 5 3.766 -8.275 -3.960 1.00 0.26 H new ATOM 0 HB2 LYS A 5 2.066 -10.283 -3.657 1.00 0.29 H new ATOM 0 HB3 LYS A 5 1.056 -9.082 -2.877 1.00 0.29 H new ATOM 0 HG2 LYS A 5 1.824 -7.789 -5.209 1.00 0.34 H new ATOM 0 HG3 LYS A 5 1.677 -9.456 -5.732 1.00 0.34 H new ATOM 0 HD2 LYS A 5 -0.495 -8.127 -4.088 1.00 0.39 H new ATOM 0 HD3 LYS A 5 -0.433 -7.947 -5.830 1.00 0.39 H new ATOM 0 HE2 LYS A 5 -0.647 -10.550 -4.278 1.00 0.39 H new ATOM 0 HE3 LYS A 5 -1.895 -9.810 -5.261 1.00 0.39 H new ATOM 0 HZ1 LYS A 5 -0.685 -11.629 -6.389 1.00 0.56 H new ATOM 0 HZ2 LYS A 5 -0.586 -10.156 -7.229 1.00 0.56 H new ATOM 0 HZ3 LYS A 5 0.740 -10.709 -6.324 1.00 0.56 H new ATOM 88 N ILE A 6 2.379 -6.199 -3.366 1.00 0.21 N ATOM 89 CA ILE A 6 1.811 -4.930 -2.955 1.00 0.20 C ATOM 90 C ILE A 6 0.530 -4.642 -3.736 1.00 0.23 C ATOM 91 O ILE A 6 0.535 -4.621 -4.965 1.00 0.40 O ATOM 92 CB ILE A 6 2.816 -3.781 -3.163 1.00 0.20 C ATOM 93 CG1 ILE A 6 3.998 -3.942 -2.204 1.00 0.22 C ATOM 94 CG2 ILE A 6 2.138 -2.430 -2.990 1.00 0.21 C ATOM 95 CD1 ILE A 6 5.042 -2.856 -2.329 1.00 0.27 C ATOM 0 H ILE A 6 2.564 -6.264 -4.367 1.00 0.21 H new ATOM 0 HA ILE A 6 1.576 -4.997 -1.893 1.00 0.20 H new ATOM 0 HB ILE A 6 3.196 -3.824 -4.184 1.00 0.20 H new ATOM 0 HG12 ILE A 6 3.623 -3.956 -1.181 1.00 0.22 H new ATOM 0 HG13 ILE A 6 4.470 -4.908 -2.384 1.00 0.22 H new ATOM 0 HG21 ILE A 6 2.868 -1.635 -3.142 1.00 0.21 H new ATOM 0 HG22 ILE A 6 1.335 -2.330 -3.720 1.00 0.21 H new ATOM 0 HG23 ILE A 6 1.725 -2.356 -1.984 1.00 0.21 H new ATOM 0 HD11 ILE A 6 5.846 -3.041 -1.617 1.00 0.27 H new ATOM 0 HD12 ILE A 6 5.447 -2.855 -3.341 1.00 0.27 H new ATOM 0 HD13 ILE A 6 4.587 -1.888 -2.119 1.00 0.27 H new ATOM 107 N LEU A 7 -0.565 -4.444 -3.020 1.00 0.11 N ATOM 108 CA LEU A 7 -1.845 -4.121 -3.644 1.00 0.11 C ATOM 109 C LEU A 7 -2.037 -2.614 -3.680 1.00 0.14 C ATOM 110 O LEU A 7 -1.766 -1.935 -2.703 1.00 0.29 O ATOM 111 CB LEU A 7 -2.993 -4.791 -2.885 1.00 0.11 C ATOM 112 CG LEU A 7 -3.460 -6.115 -3.483 1.00 0.14 C ATOM 113 CD1 LEU A 7 -4.597 -6.687 -2.670 1.00 0.15 C ATOM 114 CD2 LEU A 7 -3.900 -5.909 -4.919 1.00 0.17 C ATOM 0 H LEU A 7 -0.596 -4.501 -2.002 1.00 0.11 H new ATOM 0 HA LEU A 7 -1.845 -4.499 -4.666 1.00 0.11 H new ATOM 0 HB2 LEU A 7 -2.680 -4.963 -1.855 1.00 0.11 H new ATOM 0 HB3 LEU A 7 -3.839 -4.104 -2.851 1.00 0.11 H new ATOM 0 HG LEU A 7 -2.629 -6.820 -3.464 1.00 0.14 H new ATOM 0 HD11 LEU A 7 -4.919 -7.631 -3.109 1.00 0.15 H new ATOM 0 HD12 LEU A 7 -4.263 -6.858 -1.647 1.00 0.15 H new ATOM 0 HD13 LEU A 7 -5.431 -5.985 -2.667 1.00 0.15 H new ATOM 0 HD21 LEU A 7 -4.232 -6.859 -5.338 1.00 0.17 H new ATOM 0 HD22 LEU A 7 -4.721 -5.193 -4.949 1.00 0.17 H new ATOM 0 HD23 LEU A 7 -3.064 -5.527 -5.504 1.00 0.17 H new ATOM 126 N ILE A 8 -2.475 -2.090 -4.811 1.00 0.08 N ATOM 127 CA ILE A 8 -2.599 -0.649 -4.985 1.00 0.08 C ATOM 128 C ILE A 8 -4.006 -0.258 -5.424 1.00 0.08 C ATOM 129 O ILE A 8 -4.425 -0.551 -6.545 1.00 0.10 O ATOM 130 CB ILE A 8 -1.576 -0.165 -6.020 1.00 0.10 C ATOM 131 CG1 ILE A 8 -0.172 -0.529 -5.549 1.00 0.11 C ATOM 132 CG2 ILE A 8 -1.699 1.335 -6.229 1.00 0.12 C ATOM 133 CD1 ILE A 8 0.844 -0.562 -6.656 1.00 0.12 C ATOM 0 H ILE A 8 -2.752 -2.639 -5.625 1.00 0.08 H new ATOM 0 HA ILE A 8 -2.405 -0.173 -4.024 1.00 0.08 H new ATOM 0 HB ILE A 8 -1.771 -0.653 -6.975 1.00 0.10 H new ATOM 0 HG12 ILE A 8 0.147 0.191 -4.795 1.00 0.11 H new ATOM 0 HG13 ILE A 8 -0.202 -1.505 -5.065 1.00 0.11 H new ATOM 0 HG21 ILE A 8 -0.966 1.661 -6.967 1.00 0.12 H new ATOM 0 HG22 ILE A 8 -2.702 1.572 -6.585 1.00 0.12 H new ATOM 0 HG23 ILE A 8 -1.518 1.850 -5.285 1.00 0.12 H new ATOM 0 HD11 ILE A 8 1.819 -0.828 -6.247 1.00 0.12 H new ATOM 0 HD12 ILE A 8 0.548 -1.302 -7.399 1.00 0.12 H new ATOM 0 HD13 ILE A 8 0.903 0.420 -7.125 1.00 0.12 H new ATOM 145 N VAL A 9 -4.738 0.393 -4.532 1.00 0.09 N ATOM 146 CA VAL A 9 -6.090 0.834 -4.837 1.00 0.10 C ATOM 147 C VAL A 9 -6.094 2.223 -5.491 1.00 0.14 C ATOM 148 O VAL A 9 -5.700 3.207 -4.869 1.00 0.17 O ATOM 149 CB VAL A 9 -6.947 0.847 -3.554 1.00 0.11 C ATOM 150 CG1 VAL A 9 -8.314 1.456 -3.810 1.00 0.14 C ATOM 151 CG2 VAL A 9 -7.083 -0.566 -3.009 1.00 0.11 C ATOM 0 H VAL A 9 -4.418 0.627 -3.592 1.00 0.09 H new ATOM 0 HA VAL A 9 -6.520 0.129 -5.548 1.00 0.10 H new ATOM 0 HB VAL A 9 -6.445 1.468 -2.812 1.00 0.11 H new ATOM 0 HG11 VAL A 9 -8.893 1.451 -2.887 1.00 0.14 H new ATOM 0 HG12 VAL A 9 -8.196 2.482 -4.158 1.00 0.14 H new ATOM 0 HG13 VAL A 9 -8.836 0.873 -4.569 1.00 0.14 H new ATOM 0 HG21 VAL A 9 -7.689 -0.550 -2.103 1.00 0.11 H new ATOM 0 HG22 VAL A 9 -7.563 -1.199 -3.755 1.00 0.11 H new ATOM 0 HG23 VAL A 9 -6.095 -0.963 -2.777 1.00 0.11 H new ATOM 161 N ASP A 10 -6.526 2.281 -6.753 1.00 0.17 N ATOM 162 CA ASP A 10 -6.627 3.534 -7.500 1.00 0.21 C ATOM 163 C ASP A 10 -7.672 3.427 -8.611 1.00 0.24 C ATOM 164 O ASP A 10 -7.877 2.358 -9.177 1.00 0.38 O ATOM 165 CB ASP A 10 -5.279 3.896 -8.118 1.00 0.23 C ATOM 166 CG ASP A 10 -5.380 5.059 -9.089 1.00 0.76 C ATOM 167 OD1 ASP A 10 -6.029 6.066 -8.737 1.00 0.78 O ATOM 168 OD2 ASP A 10 -4.784 4.993 -10.185 1.00 1.27 O ATOM 0 H ASP A 10 -6.815 1.460 -7.284 1.00 0.17 H new ATOM 0 HA ASP A 10 -6.930 4.312 -6.800 1.00 0.21 H new ATOM 0 HB2 ASP A 10 -4.575 4.149 -7.325 1.00 0.23 H new ATOM 0 HB3 ASP A 10 -4.876 3.027 -8.637 1.00 0.23 H new ATOM 173 N ASP A 11 -8.302 4.544 -8.945 1.00 0.29 N ATOM 174 CA ASP A 11 -9.320 4.567 -9.992 1.00 0.30 C ATOM 175 C ASP A 11 -8.783 5.256 -11.233 1.00 0.28 C ATOM 176 O ASP A 11 -9.207 4.968 -12.354 1.00 0.32 O ATOM 177 CB ASP A 11 -10.572 5.289 -9.521 1.00 0.39 C ATOM 178 CG ASP A 11 -11.656 5.318 -10.580 1.00 0.79 C ATOM 179 OD1 ASP A 11 -12.250 4.255 -10.850 1.00 0.76 O ATOM 180 OD2 ASP A 11 -11.916 6.396 -11.149 1.00 1.40 O ATOM 0 H ASP A 11 -8.128 5.449 -8.507 1.00 0.29 H new ATOM 0 HA ASP A 11 -9.577 3.534 -10.228 1.00 0.30 H new ATOM 0 HB2 ASP A 11 -10.955 4.799 -8.626 1.00 0.39 H new ATOM 0 HB3 ASP A 11 -10.315 6.310 -9.240 1.00 0.39 H new ATOM 185 N GLN A 12 -7.820 6.149 -11.029 1.00 0.30 N ATOM 186 CA GLN A 12 -7.254 6.930 -12.121 1.00 0.35 C ATOM 187 C GLN A 12 -6.527 6.018 -13.099 1.00 0.31 C ATOM 188 O GLN A 12 -6.303 6.379 -14.255 1.00 0.38 O ATOM 189 CB GLN A 12 -6.266 7.968 -11.583 1.00 0.45 C ATOM 190 CG GLN A 12 -6.875 8.980 -10.624 1.00 0.59 C ATOM 191 CD GLN A 12 -7.781 9.987 -11.310 1.00 1.07 C ATOM 192 OE1 GLN A 12 -8.419 9.690 -12.318 1.00 1.90 O ATOM 193 NE2 GLN A 12 -7.836 11.193 -10.768 1.00 1.77 N ATOM 0 H GLN A 12 -7.415 6.350 -10.115 1.00 0.30 H new ATOM 0 HA GLN A 12 -8.072 7.439 -12.631 1.00 0.35 H new ATOM 0 HB2 GLN A 12 -5.453 7.449 -11.075 1.00 0.45 H new ATOM 0 HB3 GLN A 12 -5.826 8.503 -12.425 1.00 0.45 H new ATOM 0 HG2 GLN A 12 -7.445 8.450 -9.861 1.00 0.59 H new ATOM 0 HG3 GLN A 12 -6.074 9.512 -10.111 1.00 0.59 H new ATOM 0 HE21 GLN A 12 -7.292 11.401 -9.931 1.00 1.77 H new ATOM 0 HE22 GLN A 12 -8.423 11.914 -11.187 1.00 1.77 H new ATOM 202 N TYR A 13 -6.130 4.854 -12.583 1.00 0.24 N ATOM 203 CA TYR A 13 -5.376 3.837 -13.317 1.00 0.23 C ATOM 204 C TYR A 13 -3.902 4.210 -13.359 1.00 0.22 C ATOM 205 O TYR A 13 -3.030 3.346 -13.275 1.00 0.29 O ATOM 206 CB TYR A 13 -5.928 3.602 -14.731 1.00 0.30 C ATOM 207 CG TYR A 13 -5.186 2.536 -15.514 1.00 0.42 C ATOM 208 CD1 TYR A 13 -5.498 1.190 -15.362 1.00 0.56 C ATOM 209 CD2 TYR A 13 -4.171 2.873 -16.403 1.00 0.53 C ATOM 210 CE1 TYR A 13 -4.823 0.213 -16.071 1.00 0.72 C ATOM 211 CE2 TYR A 13 -3.492 1.901 -17.114 1.00 0.67 C ATOM 212 CZ TYR A 13 -3.821 0.574 -16.945 1.00 0.76 C ATOM 213 OH TYR A 13 -3.144 -0.398 -17.650 1.00 0.92 O ATOM 0 H TYR A 13 -6.329 4.586 -11.619 1.00 0.24 H new ATOM 0 HA TYR A 13 -5.489 2.894 -12.782 1.00 0.23 H new ATOM 0 HB2 TYR A 13 -6.978 3.319 -14.658 1.00 0.30 H new ATOM 0 HB3 TYR A 13 -5.888 4.539 -15.286 1.00 0.30 H new ATOM 0 HD1 TYR A 13 -6.282 0.902 -14.678 1.00 0.56 H new ATOM 0 HD2 TYR A 13 -3.909 3.912 -16.540 1.00 0.53 H new ATOM 0 HE1 TYR A 13 -5.080 -0.828 -15.940 1.00 0.72 H new ATOM 0 HE2 TYR A 13 -2.706 2.181 -17.800 1.00 0.67 H new ATOM 0 HH TYR A 13 -2.470 0.023 -18.223 1.00 0.92 H new ATOM 223 N GLY A 14 -3.628 5.500 -13.451 1.00 0.22 N ATOM 224 CA GLY A 14 -2.262 5.955 -13.475 1.00 0.25 C ATOM 225 C GLY A 14 -1.601 5.877 -12.121 1.00 0.23 C ATOM 226 O GLY A 14 -0.461 5.440 -12.029 1.00 0.22 O ATOM 0 H GLY A 14 -4.329 6.238 -13.509 1.00 0.22 H new ATOM 0 HA2 GLY A 14 -1.695 5.355 -14.187 1.00 0.25 H new ATOM 0 HA3 GLY A 14 -2.232 6.985 -13.831 1.00 0.25 H new ATOM 230 N ILE A 15 -2.315 6.263 -11.061 1.00 0.24 N ATOM 231 CA ILE A 15 -1.737 6.247 -9.717 1.00 0.23 C ATOM 232 C ILE A 15 -1.319 4.835 -9.367 1.00 0.20 C ATOM 233 O ILE A 15 -0.214 4.605 -8.852 1.00 0.19 O ATOM 234 CB ILE A 15 -2.722 6.736 -8.626 1.00 0.24 C ATOM 235 CG1 ILE A 15 -3.417 8.038 -9.045 1.00 0.28 C ATOM 236 CG2 ILE A 15 -1.996 6.936 -7.300 1.00 0.25 C ATOM 237 CD1 ILE A 15 -2.457 9.149 -9.421 1.00 0.29 C ATOM 0 H ILE A 15 -3.281 6.586 -11.106 1.00 0.24 H new ATOM 0 HA ILE A 15 -0.887 6.930 -9.736 1.00 0.23 H new ATOM 0 HB ILE A 15 -3.485 5.967 -8.501 1.00 0.24 H new ATOM 0 HG12 ILE A 15 -4.071 7.833 -9.892 1.00 0.28 H new ATOM 0 HG13 ILE A 15 -4.052 8.380 -8.227 1.00 0.28 H new ATOM 0 HG21 ILE A 15 -2.704 7.280 -6.546 1.00 0.25 H new ATOM 0 HG22 ILE A 15 -1.555 5.992 -6.980 1.00 0.25 H new ATOM 0 HG23 ILE A 15 -1.209 7.680 -7.425 1.00 0.25 H new ATOM 0 HD11 ILE A 15 -3.022 10.037 -9.706 1.00 0.29 H new ATOM 0 HD12 ILE A 15 -1.819 9.383 -8.569 1.00 0.29 H new ATOM 0 HD13 ILE A 15 -1.839 8.828 -10.259 1.00 0.29 H new ATOM 249 N ARG A 16 -2.197 3.882 -9.662 1.00 0.19 N ATOM 250 CA ARG A 16 -1.883 2.499 -9.419 1.00 0.17 C ATOM 251 C ARG A 16 -0.638 2.101 -10.185 1.00 0.16 C ATOM 252 O ARG A 16 0.253 1.478 -9.625 1.00 0.16 O ATOM 253 CB ARG A 16 -3.036 1.549 -9.761 1.00 0.19 C ATOM 254 CG ARG A 16 -4.099 2.101 -10.688 1.00 0.24 C ATOM 255 CD ARG A 16 -5.165 1.050 -10.940 1.00 0.38 C ATOM 256 NE ARG A 16 -6.416 1.596 -11.459 1.00 0.76 N ATOM 257 CZ ARG A 16 -7.250 0.910 -12.241 1.00 0.67 C ATOM 258 NH1 ARG A 16 -6.878 -0.264 -12.734 1.00 0.95 N ATOM 259 NH2 ARG A 16 -8.437 1.412 -12.558 1.00 1.51 N ATOM 0 H ARG A 16 -3.119 4.050 -10.065 1.00 0.19 H new ATOM 0 HA ARG A 16 -1.705 2.405 -8.348 1.00 0.17 H new ATOM 0 HB2 ARG A 16 -2.618 0.650 -10.215 1.00 0.19 H new ATOM 0 HB3 ARG A 16 -3.516 1.243 -8.832 1.00 0.19 H new ATOM 0 HG2 ARG A 16 -4.550 2.990 -10.248 1.00 0.24 H new ATOM 0 HG3 ARG A 16 -3.647 2.406 -11.632 1.00 0.24 H new ATOM 0 HD2 ARG A 16 -4.779 0.315 -11.646 1.00 0.38 H new ATOM 0 HD3 ARG A 16 -5.368 0.521 -10.009 1.00 0.38 H new ATOM 0 HE ARG A 16 -6.665 2.553 -11.210 1.00 0.76 H new ATOM 0 HH11 ARG A 16 -5.956 -0.640 -12.515 1.00 0.95 H new ATOM 0 HH12 ARG A 16 -7.514 -0.791 -13.332 1.00 0.95 H new ATOM 0 HH21 ARG A 16 -8.715 2.327 -12.203 1.00 1.51 H new ATOM 0 HH22 ARG A 16 -9.071 0.883 -13.157 1.00 1.51 H new ATOM 273 N ILE A 17 -0.568 2.486 -11.452 1.00 0.17 N ATOM 274 CA ILE A 17 0.592 2.174 -12.275 1.00 0.18 C ATOM 275 C ILE A 17 1.851 2.832 -11.713 1.00 0.19 C ATOM 276 O ILE A 17 2.920 2.235 -11.742 1.00 0.19 O ATOM 277 CB ILE A 17 0.383 2.603 -13.749 1.00 0.21 C ATOM 278 CG1 ILE A 17 -0.742 1.784 -14.390 1.00 0.19 C ATOM 279 CG2 ILE A 17 1.671 2.456 -14.551 1.00 0.28 C ATOM 280 CD1 ILE A 17 -0.497 0.289 -14.385 1.00 0.23 C ATOM 0 H ILE A 17 -1.298 3.013 -11.931 1.00 0.17 H new ATOM 0 HA ILE A 17 0.718 1.092 -12.254 1.00 0.18 H new ATOM 0 HB ILE A 17 0.098 3.655 -13.757 1.00 0.21 H new ATOM 0 HG12 ILE A 17 -1.673 1.991 -13.863 1.00 0.19 H new ATOM 0 HG13 ILE A 17 -0.878 2.116 -15.419 1.00 0.19 H new ATOM 0 HG21 ILE A 17 1.495 2.764 -15.582 1.00 0.28 H new ATOM 0 HG22 ILE A 17 2.447 3.084 -14.112 1.00 0.28 H new ATOM 0 HG23 ILE A 17 1.994 1.415 -14.534 1.00 0.28 H new ATOM 0 HD11 ILE A 17 -1.338 -0.219 -14.856 1.00 0.23 H new ATOM 0 HD12 ILE A 17 0.416 0.068 -14.938 1.00 0.23 H new ATOM 0 HD13 ILE A 17 -0.392 -0.059 -13.357 1.00 0.23 H new ATOM 292 N LEU A 18 1.714 4.044 -11.172 1.00 0.20 N ATOM 293 CA LEU A 18 2.858 4.753 -10.600 1.00 0.21 C ATOM 294 C LEU A 18 3.490 3.932 -9.490 1.00 0.18 C ATOM 295 O LEU A 18 4.705 3.758 -9.443 1.00 0.18 O ATOM 296 CB LEU A 18 2.452 6.121 -10.035 1.00 0.23 C ATOM 297 CG LEU A 18 1.711 7.040 -11.002 1.00 0.26 C ATOM 298 CD1 LEU A 18 1.323 8.341 -10.313 1.00 0.31 C ATOM 299 CD2 LEU A 18 2.558 7.317 -12.234 1.00 0.29 C ATOM 0 H LEU A 18 0.830 4.551 -11.118 1.00 0.20 H new ATOM 0 HA LEU A 18 3.576 4.906 -11.406 1.00 0.21 H new ATOM 0 HB2 LEU A 18 1.822 5.960 -9.160 1.00 0.23 H new ATOM 0 HB3 LEU A 18 3.351 6.633 -9.691 1.00 0.23 H new ATOM 0 HG LEU A 18 0.799 6.537 -11.322 1.00 0.26 H new ATOM 0 HD11 LEU A 18 0.796 8.983 -11.018 1.00 0.31 H new ATOM 0 HD12 LEU A 18 0.674 8.124 -9.465 1.00 0.31 H new ATOM 0 HD13 LEU A 18 2.221 8.849 -9.962 1.00 0.31 H new ATOM 0 HD21 LEU A 18 2.012 7.974 -12.911 1.00 0.29 H new ATOM 0 HD22 LEU A 18 3.489 7.798 -11.935 1.00 0.29 H new ATOM 0 HD23 LEU A 18 2.781 6.378 -12.741 1.00 0.29 H new ATOM 311 N LEU A 19 2.657 3.409 -8.606 1.00 0.16 N ATOM 312 CA LEU A 19 3.152 2.578 -7.523 1.00 0.13 C ATOM 313 C LEU A 19 3.504 1.198 -8.048 1.00 0.12 C ATOM 314 O LEU A 19 4.460 0.583 -7.598 1.00 0.11 O ATOM 315 CB LEU A 19 2.121 2.463 -6.399 1.00 0.14 C ATOM 316 CG LEU A 19 1.523 3.781 -5.916 1.00 0.14 C ATOM 317 CD1 LEU A 19 0.631 3.554 -4.707 1.00 0.14 C ATOM 318 CD2 LEU A 19 2.620 4.776 -5.588 1.00 0.17 C ATOM 0 H LEU A 19 1.646 3.543 -8.616 1.00 0.16 H new ATOM 0 HA LEU A 19 4.047 3.049 -7.115 1.00 0.13 H new ATOM 0 HB2 LEU A 19 1.310 1.819 -6.739 1.00 0.14 H new ATOM 0 HB3 LEU A 19 2.589 1.964 -5.550 1.00 0.14 H new ATOM 0 HG LEU A 19 0.913 4.194 -6.719 1.00 0.14 H new ATOM 0 HD11 LEU A 19 0.215 4.506 -4.378 1.00 0.14 H new ATOM 0 HD12 LEU A 19 -0.180 2.877 -4.975 1.00 0.14 H new ATOM 0 HD13 LEU A 19 1.217 3.116 -3.899 1.00 0.14 H new ATOM 0 HD21 LEU A 19 2.174 5.710 -5.245 1.00 0.17 H new ATOM 0 HD22 LEU A 19 3.258 4.369 -4.803 1.00 0.17 H new ATOM 0 HD23 LEU A 19 3.218 4.965 -6.479 1.00 0.17 H new ATOM 330 N ASN A 20 2.739 0.727 -9.019 1.00 0.12 N ATOM 331 CA ASN A 20 2.984 -0.572 -9.630 1.00 0.12 C ATOM 332 C ASN A 20 4.390 -0.624 -10.214 1.00 0.13 C ATOM 333 O ASN A 20 5.176 -1.499 -9.863 1.00 0.14 O ATOM 334 CB ASN A 20 1.938 -0.851 -10.728 1.00 0.15 C ATOM 335 CG ASN A 20 0.785 -1.733 -10.267 1.00 0.17 C ATOM 336 OD1 ASN A 20 0.787 -2.942 -10.484 1.00 0.20 O ATOM 337 ND2 ASN A 20 -0.215 -1.141 -9.634 1.00 0.19 N ATOM 0 H ASN A 20 1.938 1.227 -9.404 1.00 0.12 H new ATOM 0 HA ASN A 20 2.897 -1.341 -8.862 1.00 0.12 H new ATOM 0 HB2 ASN A 20 1.537 0.098 -11.085 1.00 0.15 H new ATOM 0 HB3 ASN A 20 2.432 -1.327 -11.575 1.00 0.15 H new ATOM 0 HD21 ASN A 20 -1.012 -1.691 -9.312 1.00 0.19 H new ATOM 0 HD22 ASN A 20 -0.189 -0.135 -9.468 1.00 0.19 H new ATOM 344 N GLU A 21 4.721 0.347 -11.057 1.00 0.15 N ATOM 345 CA GLU A 21 6.003 0.355 -11.749 1.00 0.17 C ATOM 346 C GLU A 21 7.164 0.636 -10.797 1.00 0.17 C ATOM 347 O GLU A 21 8.236 0.066 -10.946 1.00 0.23 O ATOM 348 CB GLU A 21 6.007 1.383 -12.888 1.00 0.19 C ATOM 349 CG GLU A 21 5.803 2.817 -12.423 1.00 0.21 C ATOM 350 CD GLU A 21 6.083 3.837 -13.506 1.00 0.27 C ATOM 351 OE1 GLU A 21 5.285 3.936 -14.463 1.00 0.33 O ATOM 352 OE2 GLU A 21 7.114 4.539 -13.416 1.00 0.40 O ATOM 0 H GLU A 21 4.118 1.140 -11.278 1.00 0.15 H new ATOM 0 HA GLU A 21 6.141 -0.642 -12.167 1.00 0.17 H new ATOM 0 HB2 GLU A 21 6.955 1.316 -13.422 1.00 0.19 H new ATOM 0 HB3 GLU A 21 5.222 1.126 -13.599 1.00 0.19 H new ATOM 0 HG2 GLU A 21 4.777 2.938 -12.075 1.00 0.21 H new ATOM 0 HG3 GLU A 21 6.454 3.013 -11.571 1.00 0.21 H new ATOM 359 N VAL A 22 6.941 1.502 -9.821 1.00 0.15 N ATOM 360 CA VAL A 22 8.001 1.926 -8.911 1.00 0.17 C ATOM 361 C VAL A 22 8.207 0.942 -7.778 1.00 0.16 C ATOM 362 O VAL A 22 9.325 0.744 -7.320 1.00 0.20 O ATOM 363 CB VAL A 22 7.703 3.328 -8.362 1.00 0.18 C ATOM 364 CG1 VAL A 22 8.583 3.655 -7.172 1.00 0.27 C ATOM 365 CG2 VAL A 22 7.906 4.353 -9.458 1.00 0.21 C ATOM 0 H VAL A 22 6.033 1.928 -9.636 1.00 0.15 H new ATOM 0 HA VAL A 22 8.929 1.957 -9.482 1.00 0.17 H new ATOM 0 HB VAL A 22 6.667 3.352 -8.024 1.00 0.18 H new ATOM 0 HG11 VAL A 22 8.346 4.655 -6.808 1.00 0.27 H new ATOM 0 HG12 VAL A 22 8.407 2.929 -6.379 1.00 0.27 H new ATOM 0 HG13 VAL A 22 9.630 3.617 -7.472 1.00 0.27 H new ATOM 0 HG21 VAL A 22 7.694 5.349 -9.069 1.00 0.21 H new ATOM 0 HG22 VAL A 22 8.937 4.312 -9.808 1.00 0.21 H new ATOM 0 HG23 VAL A 22 7.232 4.137 -10.287 1.00 0.21 H new ATOM 375 N PHE A 23 7.160 0.304 -7.326 1.00 0.12 N ATOM 376 CA PHE A 23 7.347 -0.760 -6.373 1.00 0.10 C ATOM 377 C PHE A 23 8.053 -1.893 -7.077 1.00 0.11 C ATOM 378 O PHE A 23 9.040 -2.424 -6.592 1.00 0.15 O ATOM 379 CB PHE A 23 6.018 -1.219 -5.779 1.00 0.10 C ATOM 380 CG PHE A 23 5.407 -0.216 -4.836 1.00 0.13 C ATOM 381 CD1 PHE A 23 6.203 0.699 -4.167 1.00 0.32 C ATOM 382 CD2 PHE A 23 4.041 -0.197 -4.613 1.00 0.18 C ATOM 383 CE1 PHE A 23 5.647 1.614 -3.294 1.00 0.38 C ATOM 384 CE2 PHE A 23 3.483 0.719 -3.742 1.00 0.18 C ATOM 385 CZ PHE A 23 4.274 1.644 -3.111 1.00 0.26 C ATOM 0 H PHE A 23 6.194 0.494 -7.592 1.00 0.12 H new ATOM 0 HA PHE A 23 7.950 -0.406 -5.537 1.00 0.10 H new ATOM 0 HB2 PHE A 23 5.316 -1.420 -6.589 1.00 0.10 H new ATOM 0 HB3 PHE A 23 6.171 -2.159 -5.249 1.00 0.10 H new ATOM 0 HD1 PHE A 23 7.271 0.697 -4.330 1.00 0.32 H new ATOM 0 HD2 PHE A 23 3.406 -0.905 -5.125 1.00 0.18 H new ATOM 0 HE1 PHE A 23 6.281 2.304 -2.756 1.00 0.38 H new ATOM 0 HE2 PHE A 23 2.419 0.706 -3.557 1.00 0.18 H new ATOM 0 HZ PHE A 23 3.828 2.393 -2.474 1.00 0.26 H new ATOM 395 N ASN A 24 7.584 -2.207 -8.269 1.00 0.12 N ATOM 396 CA ASN A 24 8.209 -3.239 -9.074 1.00 0.14 C ATOM 397 C ASN A 24 9.629 -2.851 -9.414 1.00 0.18 C ATOM 398 O ASN A 24 10.501 -3.708 -9.497 1.00 0.20 O ATOM 399 CB ASN A 24 7.408 -3.503 -10.347 1.00 0.16 C ATOM 400 CG ASN A 24 6.168 -4.339 -10.096 1.00 0.16 C ATOM 401 OD1 ASN A 24 5.622 -4.948 -11.012 1.00 0.21 O ATOM 402 ND2 ASN A 24 5.740 -4.417 -8.844 1.00 0.15 N ATOM 0 H ASN A 24 6.774 -1.763 -8.701 1.00 0.12 H new ATOM 0 HA ASN A 24 8.227 -4.160 -8.491 1.00 0.14 H new ATOM 0 HB2 ASN A 24 7.116 -2.552 -10.791 1.00 0.16 H new ATOM 0 HB3 ASN A 24 8.043 -4.012 -11.072 1.00 0.16 H new ATOM 0 HD21 ASN A 24 4.932 -4.997 -8.616 1.00 0.15 H new ATOM 0 HD22 ASN A 24 6.218 -3.897 -8.108 1.00 0.15 H new ATOM 409 N LYS A 25 9.859 -1.544 -9.555 1.00 0.19 N ATOM 410 CA LYS A 25 11.187 -1.015 -9.875 1.00 0.25 C ATOM 411 C LYS A 25 12.128 -1.342 -8.747 1.00 0.24 C ATOM 412 O LYS A 25 13.327 -1.534 -8.935 1.00 0.30 O ATOM 413 CB LYS A 25 11.157 0.508 -10.093 1.00 0.28 C ATOM 414 CG LYS A 25 11.621 1.339 -8.892 1.00 0.25 C ATOM 415 CD LYS A 25 12.335 2.607 -9.328 1.00 0.38 C ATOM 416 CE LYS A 25 13.647 2.282 -10.028 1.00 1.18 C ATOM 417 NZ LYS A 25 14.396 3.503 -10.419 1.00 1.65 N ATOM 0 H LYS A 25 9.139 -0.829 -9.452 1.00 0.19 H new ATOM 0 HA LYS A 25 11.525 -1.477 -10.803 1.00 0.25 H new ATOM 0 HB2 LYS A 25 11.786 0.751 -10.949 1.00 0.28 H new ATOM 0 HB3 LYS A 25 10.140 0.804 -10.350 1.00 0.28 H new ATOM 0 HG2 LYS A 25 10.761 1.600 -8.276 1.00 0.25 H new ATOM 0 HG3 LYS A 25 12.288 0.741 -8.272 1.00 0.25 H new ATOM 0 HD2 LYS A 25 11.693 3.178 -9.999 1.00 0.38 H new ATOM 0 HD3 LYS A 25 12.528 3.236 -8.459 1.00 0.38 H new ATOM 0 HE2 LYS A 25 14.267 1.674 -9.369 1.00 1.18 H new ATOM 0 HE3 LYS A 25 13.444 1.683 -10.916 1.00 1.18 H new ATOM 0 HZ1 LYS A 25 15.281 3.231 -10.892 1.00 1.65 H new ATOM 0 HZ2 LYS A 25 13.817 4.072 -11.069 1.00 1.65 H new ATOM 0 HZ3 LYS A 25 14.615 4.063 -9.570 1.00 1.65 H new ATOM 431 N GLU A 26 11.554 -1.403 -7.568 1.00 0.21 N ATOM 432 CA GLU A 26 12.288 -1.770 -6.384 1.00 0.26 C ATOM 433 C GLU A 26 12.326 -3.295 -6.259 1.00 0.36 C ATOM 434 O GLU A 26 12.602 -3.852 -5.199 1.00 0.78 O ATOM 435 CB GLU A 26 11.642 -1.124 -5.163 1.00 0.23 C ATOM 436 CG GLU A 26 11.616 0.388 -5.244 1.00 0.25 C ATOM 437 CD GLU A 26 12.984 1.007 -5.020 1.00 0.44 C ATOM 438 OE1 GLU A 26 13.456 1.024 -3.858 1.00 0.55 O ATOM 439 OE2 GLU A 26 13.588 1.489 -5.999 1.00 0.68 O ATOM 0 H GLU A 26 10.568 -1.200 -7.405 1.00 0.21 H new ATOM 0 HA GLU A 26 13.315 -1.411 -6.452 1.00 0.26 H new ATOM 0 HB2 GLU A 26 10.623 -1.495 -5.058 1.00 0.23 H new ATOM 0 HB3 GLU A 26 12.185 -1.426 -4.268 1.00 0.23 H new ATOM 0 HG2 GLU A 26 11.240 0.690 -6.222 1.00 0.25 H new ATOM 0 HG3 GLU A 26 10.919 0.776 -4.501 1.00 0.25 H new ATOM 446 N GLY A 27 12.024 -3.955 -7.368 1.00 0.19 N ATOM 447 CA GLY A 27 12.050 -5.398 -7.432 1.00 0.21 C ATOM 448 C GLY A 27 10.729 -6.027 -7.042 1.00 0.25 C ATOM 449 O GLY A 27 10.577 -7.245 -7.127 1.00 0.45 O ATOM 0 H GLY A 27 11.756 -3.502 -8.242 1.00 0.19 H new ATOM 0 HA2 GLY A 27 12.310 -5.708 -8.444 1.00 0.21 H new ATOM 0 HA3 GLY A 27 12.834 -5.772 -6.773 1.00 0.21 H new ATOM 453 N TYR A 28 9.754 -5.207 -6.659 1.00 0.15 N ATOM 454 CA TYR A 28 8.549 -5.728 -5.988 1.00 0.15 C ATOM 455 C TYR A 28 7.593 -6.378 -6.971 1.00 0.14 C ATOM 456 O TYR A 28 7.873 -6.487 -8.164 1.00 0.19 O ATOM 457 CB TYR A 28 7.771 -4.632 -5.237 1.00 0.20 C ATOM 458 CG TYR A 28 8.379 -4.165 -3.932 1.00 0.34 C ATOM 459 CD1 TYR A 28 9.495 -3.346 -3.917 1.00 0.84 C ATOM 460 CD2 TYR A 28 7.817 -4.525 -2.714 1.00 0.89 C ATOM 461 CE1 TYR A 28 10.037 -2.900 -2.731 1.00 0.93 C ATOM 462 CE2 TYR A 28 8.352 -4.081 -1.526 1.00 1.04 C ATOM 463 CZ TYR A 28 9.462 -3.271 -1.540 1.00 0.75 C ATOM 464 OH TYR A 28 10.004 -2.846 -0.362 1.00 0.98 O ATOM 0 H TYR A 28 9.765 -4.196 -6.795 1.00 0.15 H new ATOM 0 HA TYR A 28 8.917 -6.466 -5.275 1.00 0.15 H new ATOM 0 HB2 TYR A 28 7.668 -3.770 -5.896 1.00 0.20 H new ATOM 0 HB3 TYR A 28 6.765 -5.001 -5.035 1.00 0.20 H new ATOM 0 HD1 TYR A 28 9.949 -3.051 -4.852 1.00 0.84 H new ATOM 0 HD2 TYR A 28 6.946 -5.164 -2.699 1.00 0.89 H new ATOM 0 HE1 TYR A 28 10.909 -2.263 -2.738 1.00 0.93 H new ATOM 0 HE2 TYR A 28 7.902 -4.368 -0.587 1.00 1.04 H new ATOM 0 HH TYR A 28 9.659 -3.394 0.373 1.00 0.98 H new ATOM 474 N GLN A 29 6.453 -6.803 -6.444 1.00 0.14 N ATOM 475 CA GLN A 29 5.360 -7.291 -7.248 1.00 0.16 C ATOM 476 C GLN A 29 4.105 -6.548 -6.834 1.00 0.14 C ATOM 477 O GLN A 29 3.738 -6.565 -5.662 1.00 0.17 O ATOM 478 CB GLN A 29 5.177 -8.782 -7.029 1.00 0.23 C ATOM 479 CG GLN A 29 3.959 -9.347 -7.729 1.00 1.14 C ATOM 480 CD GLN A 29 3.779 -10.836 -7.492 1.00 1.32 C ATOM 481 OE1 GLN A 29 3.200 -11.534 -8.316 1.00 1.95 O ATOM 482 NE2 GLN A 29 4.272 -11.337 -6.366 1.00 0.97 N ATOM 0 H GLN A 29 6.267 -6.816 -5.441 1.00 0.14 H new ATOM 0 HA GLN A 29 5.566 -7.124 -8.305 1.00 0.16 H new ATOM 0 HB2 GLN A 29 6.065 -9.305 -7.382 1.00 0.23 H new ATOM 0 HB3 GLN A 29 5.096 -8.978 -5.960 1.00 0.23 H new ATOM 0 HG2 GLN A 29 3.070 -8.819 -7.383 1.00 1.14 H new ATOM 0 HG3 GLN A 29 4.043 -9.162 -8.800 1.00 1.14 H new ATOM 0 HE21 GLN A 29 4.748 -10.727 -5.702 1.00 0.97 H new ATOM 0 HE22 GLN A 29 4.174 -12.332 -6.165 1.00 0.97 H new ATOM 491 N THR A 30 3.453 -5.896 -7.772 1.00 0.13 N ATOM 492 CA THR A 30 2.328 -5.052 -7.436 1.00 0.12 C ATOM 493 C THR A 30 1.061 -5.523 -8.103 1.00 0.14 C ATOM 494 O THR A 30 1.089 -6.314 -9.045 1.00 0.21 O ATOM 495 CB THR A 30 2.590 -3.591 -7.825 1.00 0.11 C ATOM 496 OG1 THR A 30 3.263 -3.546 -9.087 1.00 0.13 O ATOM 497 CG2 THR A 30 3.409 -2.895 -6.755 1.00 0.10 C ATOM 0 H THR A 30 3.680 -5.933 -8.766 1.00 0.13 H new ATOM 0 HA THR A 30 2.202 -5.117 -6.355 1.00 0.12 H new ATOM 0 HB THR A 30 1.638 -3.067 -7.912 1.00 0.11 H new ATOM 0 HG1 THR A 30 2.602 -3.489 -9.808 1.00 0.13 H new ATOM 0 HG21 THR A 30 3.585 -1.860 -7.048 1.00 0.10 H new ATOM 0 HG22 THR A 30 2.867 -2.918 -5.810 1.00 0.10 H new ATOM 0 HG23 THR A 30 4.364 -3.407 -6.638 1.00 0.10 H new ATOM 505 N PHE A 31 -0.041 -5.046 -7.579 1.00 0.11 N ATOM 506 CA PHE A 31 -1.331 -5.277 -8.163 1.00 0.13 C ATOM 507 C PHE A 31 -2.160 -4.031 -7.957 1.00 0.11 C ATOM 508 O PHE A 31 -1.704 -3.085 -7.316 1.00 0.10 O ATOM 509 CB PHE A 31 -2.017 -6.494 -7.543 1.00 0.15 C ATOM 510 CG PHE A 31 -2.123 -7.660 -8.481 1.00 0.19 C ATOM 511 CD1 PHE A 31 -1.059 -8.528 -8.644 1.00 0.30 C ATOM 512 CD2 PHE A 31 -3.281 -7.879 -9.209 1.00 0.28 C ATOM 513 CE1 PHE A 31 -1.143 -9.596 -9.518 1.00 0.43 C ATOM 514 CE2 PHE A 31 -3.375 -8.947 -10.083 1.00 0.42 C ATOM 515 CZ PHE A 31 -2.304 -9.805 -10.239 1.00 0.48 C ATOM 0 H PHE A 31 -0.064 -4.483 -6.729 1.00 0.11 H new ATOM 0 HA PHE A 31 -1.221 -5.489 -9.226 1.00 0.13 H new ATOM 0 HB2 PHE A 31 -1.464 -6.800 -6.655 1.00 0.15 H new ATOM 0 HB3 PHE A 31 -3.016 -6.210 -7.214 1.00 0.15 H new ATOM 0 HD1 PHE A 31 -0.151 -8.370 -8.081 1.00 0.30 H new ATOM 0 HD2 PHE A 31 -4.120 -7.208 -9.093 1.00 0.28 H new ATOM 0 HE1 PHE A 31 -0.304 -10.265 -9.637 1.00 0.43 H new ATOM 0 HE2 PHE A 31 -4.284 -9.110 -10.642 1.00 0.42 H new ATOM 0 HZ PHE A 31 -2.373 -10.638 -10.923 1.00 0.48 H new ATOM 525 N GLN A 32 -3.363 -4.014 -8.470 1.00 0.13 N ATOM 526 CA GLN A 32 -4.157 -2.811 -8.423 1.00 0.13 C ATOM 527 C GLN A 32 -5.632 -3.121 -8.297 1.00 0.14 C ATOM 528 O GLN A 32 -6.081 -4.234 -8.569 1.00 0.18 O ATOM 529 CB GLN A 32 -3.888 -1.968 -9.662 1.00 0.15 C ATOM 530 CG GLN A 32 -4.005 -2.755 -10.947 1.00 0.17 C ATOM 531 CD GLN A 32 -3.458 -2.002 -12.139 1.00 0.56 C ATOM 532 OE1 GLN A 32 -4.179 -1.260 -12.804 1.00 1.29 O ATOM 533 NE2 GLN A 32 -2.173 -2.182 -12.412 1.00 0.44 N ATOM 0 H GLN A 32 -3.812 -4.811 -8.921 1.00 0.13 H new ATOM 0 HA GLN A 32 -3.869 -2.247 -7.536 1.00 0.13 H new ATOM 0 HB2 GLN A 32 -4.590 -1.135 -9.687 1.00 0.15 H new ATOM 0 HB3 GLN A 32 -2.888 -1.540 -9.594 1.00 0.15 H new ATOM 0 HG2 GLN A 32 -3.470 -3.699 -10.841 1.00 0.17 H new ATOM 0 HG3 GLN A 32 -5.052 -3.000 -11.125 1.00 0.17 H new ATOM 0 HE21 GLN A 32 -1.611 -2.807 -11.834 1.00 0.44 H new ATOM 0 HE22 GLN A 32 -1.746 -1.695 -13.200 1.00 0.44 H new ATOM 542 N ALA A 33 -6.364 -2.112 -7.886 1.00 0.13 N ATOM 543 CA ALA A 33 -7.789 -2.209 -7.649 1.00 0.15 C ATOM 544 C ALA A 33 -8.440 -0.894 -7.990 1.00 0.20 C ATOM 545 O ALA A 33 -7.962 0.151 -7.574 1.00 0.32 O ATOM 546 CB ALA A 33 -8.051 -2.557 -6.204 1.00 0.16 C ATOM 0 H ALA A 33 -5.981 -1.184 -7.703 1.00 0.13 H new ATOM 0 HA ALA A 33 -8.208 -2.995 -8.277 1.00 0.15 H new ATOM 0 HB1 ALA A 33 -9.126 -2.628 -6.036 1.00 0.16 H new ATOM 0 HB2 ALA A 33 -7.583 -3.513 -5.969 1.00 0.16 H new ATOM 0 HB3 ALA A 33 -7.633 -1.782 -5.562 1.00 0.16 H new ATOM 552 N ALA A 34 -9.530 -0.947 -8.739 1.00 0.29 N ATOM 553 CA ALA A 34 -10.262 0.261 -9.110 1.00 0.32 C ATOM 554 C ALA A 34 -11.085 0.752 -7.929 1.00 0.33 C ATOM 555 O ALA A 34 -11.823 1.731 -8.023 1.00 0.47 O ATOM 556 CB ALA A 34 -11.150 0.001 -10.316 1.00 0.34 C ATOM 0 H ALA A 34 -9.930 -1.812 -9.104 1.00 0.29 H new ATOM 0 HA ALA A 34 -9.546 1.036 -9.382 1.00 0.32 H new ATOM 0 HB1 ALA A 34 -11.687 0.913 -10.576 1.00 0.34 H new ATOM 0 HB2 ALA A 34 -10.535 -0.312 -11.160 1.00 0.34 H new ATOM 0 HB3 ALA A 34 -11.866 -0.786 -10.078 1.00 0.34 H new ATOM 562 N ASN A 35 -10.932 0.051 -6.818 1.00 0.40 N ATOM 563 CA ASN A 35 -11.587 0.384 -5.572 1.00 0.46 C ATOM 564 C ASN A 35 -10.981 -0.488 -4.505 1.00 0.69 C ATOM 565 O ASN A 35 -10.275 -1.439 -4.814 1.00 1.79 O ATOM 566 CB ASN A 35 -13.082 0.104 -5.630 1.00 0.36 C ATOM 567 CG ASN A 35 -13.882 0.968 -4.666 1.00 0.50 C ATOM 568 OD1 ASN A 35 -14.319 2.058 -5.023 1.00 0.96 O ATOM 569 ND2 ASN A 35 -14.090 0.495 -3.439 1.00 0.31 N ATOM 0 H ASN A 35 -10.340 -0.777 -6.759 1.00 0.40 H new ATOM 0 HA ASN A 35 -11.451 1.446 -5.368 1.00 0.46 H new ATOM 0 HB2 ASN A 35 -13.440 0.274 -6.646 1.00 0.36 H new ATOM 0 HB3 ASN A 35 -13.259 -0.947 -5.401 1.00 0.36 H new ATOM 0 HD21 ASN A 35 -14.626 1.042 -2.765 1.00 0.31 H new ATOM 0 HD22 ASN A 35 -13.714 -0.415 -3.173 1.00 0.31 H new ATOM 576 N GLY A 36 -11.290 -0.220 -3.265 1.00 0.36 N ATOM 577 CA GLY A 36 -10.714 -1.013 -2.208 1.00 0.19 C ATOM 578 C GLY A 36 -11.288 -2.407 -2.218 1.00 0.13 C ATOM 579 O GLY A 36 -10.613 -3.372 -1.897 1.00 0.12 O ATOM 0 H GLY A 36 -11.922 0.522 -2.964 1.00 0.36 H new ATOM 0 HA2 GLY A 36 -9.632 -1.059 -2.329 1.00 0.19 H new ATOM 0 HA3 GLY A 36 -10.908 -0.541 -1.245 1.00 0.19 H new ATOM 583 N LEU A 37 -12.539 -2.490 -2.645 1.00 0.15 N ATOM 584 CA LEU A 37 -13.309 -3.728 -2.647 1.00 0.16 C ATOM 585 C LEU A 37 -12.720 -4.761 -3.593 1.00 0.17 C ATOM 586 O LEU A 37 -13.065 -5.942 -3.532 1.00 0.22 O ATOM 587 CB LEU A 37 -14.736 -3.401 -3.063 1.00 0.20 C ATOM 588 CG LEU A 37 -15.534 -2.598 -2.037 1.00 0.24 C ATOM 589 CD1 LEU A 37 -16.630 -1.800 -2.721 1.00 0.29 C ATOM 590 CD2 LEU A 37 -16.127 -3.525 -0.989 1.00 0.30 C ATOM 0 H LEU A 37 -13.057 -1.688 -3.005 1.00 0.15 H new ATOM 0 HA LEU A 37 -13.285 -4.158 -1.646 1.00 0.16 H new ATOM 0 HB2 LEU A 37 -14.708 -2.842 -3.999 1.00 0.20 H new ATOM 0 HB3 LEU A 37 -15.264 -4.333 -3.264 1.00 0.20 H new ATOM 0 HG LEU A 37 -14.859 -1.900 -1.542 1.00 0.24 H new ATOM 0 HD11 LEU A 37 -17.188 -1.234 -1.975 1.00 0.29 H new ATOM 0 HD12 LEU A 37 -16.185 -1.112 -3.440 1.00 0.29 H new ATOM 0 HD13 LEU A 37 -17.305 -2.480 -3.240 1.00 0.29 H new ATOM 0 HD21 LEU A 37 -16.693 -2.940 -0.264 1.00 0.30 H new ATOM 0 HD22 LEU A 37 -16.789 -4.244 -1.472 1.00 0.30 H new ATOM 0 HD23 LEU A 37 -15.325 -4.057 -0.478 1.00 0.30 H new ATOM 602 N GLN A 38 -11.827 -4.317 -4.456 1.00 0.14 N ATOM 603 CA GLN A 38 -11.216 -5.205 -5.423 1.00 0.15 C ATOM 604 C GLN A 38 -9.916 -5.731 -4.863 1.00 0.12 C ATOM 605 O GLN A 38 -9.668 -6.932 -4.876 1.00 0.14 O ATOM 606 CB GLN A 38 -10.975 -4.488 -6.749 1.00 0.21 C ATOM 607 CG GLN A 38 -11.951 -3.354 -6.994 1.00 0.22 C ATOM 608 CD GLN A 38 -12.530 -3.354 -8.394 1.00 0.59 C ATOM 609 OE1 GLN A 38 -12.899 -2.306 -8.926 1.00 1.57 O ATOM 610 NE2 GLN A 38 -12.618 -4.526 -8.997 1.00 1.03 N ATOM 0 H GLN A 38 -11.510 -3.349 -4.507 1.00 0.14 H new ATOM 0 HA GLN A 38 -11.893 -6.038 -5.616 1.00 0.15 H new ATOM 0 HB2 GLN A 38 -9.958 -4.095 -6.764 1.00 0.21 H new ATOM 0 HB3 GLN A 38 -11.050 -5.208 -7.564 1.00 0.21 H new ATOM 0 HG2 GLN A 38 -12.765 -3.422 -6.272 1.00 0.22 H new ATOM 0 HG3 GLN A 38 -11.446 -2.404 -6.817 1.00 0.22 H new ATOM 0 HE21 GLN A 38 -12.301 -5.370 -8.520 1.00 1.03 H new ATOM 0 HE22 GLN A 38 -13.003 -4.587 -9.939 1.00 1.03 H new ATOM 619 N ALA A 39 -9.089 -4.821 -4.355 1.00 0.11 N ATOM 620 CA ALA A 39 -7.898 -5.214 -3.624 1.00 0.10 C ATOM 621 C ALA A 39 -8.295 -6.115 -2.459 1.00 0.10 C ATOM 622 O ALA A 39 -7.577 -7.028 -2.090 1.00 0.11 O ATOM 623 CB ALA A 39 -7.134 -3.998 -3.120 1.00 0.11 C ATOM 0 H ALA A 39 -9.224 -3.813 -4.438 1.00 0.11 H new ATOM 0 HA ALA A 39 -7.238 -5.760 -4.298 1.00 0.10 H new ATOM 0 HB1 ALA A 39 -6.247 -4.325 -2.577 1.00 0.11 H new ATOM 0 HB2 ALA A 39 -6.834 -3.380 -3.966 1.00 0.11 H new ATOM 0 HB3 ALA A 39 -7.773 -3.417 -2.455 1.00 0.11 H new ATOM 629 N LEU A 40 -9.469 -5.832 -1.905 1.00 0.11 N ATOM 630 CA LEU A 40 -10.093 -6.655 -0.875 1.00 0.13 C ATOM 631 C LEU A 40 -10.152 -8.107 -1.331 1.00 0.13 C ATOM 632 O LEU A 40 -9.609 -9.005 -0.680 1.00 0.14 O ATOM 633 CB LEU A 40 -11.504 -6.114 -0.624 1.00 0.18 C ATOM 634 CG LEU A 40 -11.989 -6.206 0.816 1.00 0.26 C ATOM 635 CD1 LEU A 40 -13.353 -5.548 0.970 1.00 0.34 C ATOM 636 CD2 LEU A 40 -12.047 -7.648 1.245 1.00 0.40 C ATOM 0 H LEU A 40 -10.021 -5.014 -2.162 1.00 0.11 H new ATOM 0 HA LEU A 40 -9.511 -6.616 0.046 1.00 0.13 H new ATOM 0 HB2 LEU A 40 -11.536 -5.070 -0.935 1.00 0.18 H new ATOM 0 HB3 LEU A 40 -12.202 -6.657 -1.261 1.00 0.18 H new ATOM 0 HG LEU A 40 -11.285 -5.674 1.456 1.00 0.26 H new ATOM 0 HD11 LEU A 40 -13.680 -5.626 2.007 1.00 0.34 H new ATOM 0 HD12 LEU A 40 -13.284 -4.497 0.689 1.00 0.34 H new ATOM 0 HD13 LEU A 40 -14.074 -6.049 0.324 1.00 0.34 H new ATOM 0 HD21 LEU A 40 -12.395 -7.707 2.276 1.00 0.40 H new ATOM 0 HD22 LEU A 40 -12.735 -8.193 0.598 1.00 0.40 H new ATOM 0 HD23 LEU A 40 -11.053 -8.090 1.171 1.00 0.40 H new ATOM 648 N ASP A 41 -10.799 -8.316 -2.462 1.00 0.14 N ATOM 649 CA ASP A 41 -10.891 -9.633 -3.069 1.00 0.16 C ATOM 650 C ASP A 41 -9.504 -10.191 -3.348 1.00 0.16 C ATOM 651 O ASP A 41 -9.235 -11.357 -3.085 1.00 0.19 O ATOM 652 CB ASP A 41 -11.696 -9.555 -4.364 1.00 0.21 C ATOM 653 CG ASP A 41 -11.616 -10.830 -5.174 1.00 0.87 C ATOM 654 OD1 ASP A 41 -12.281 -11.817 -4.799 1.00 0.93 O ATOM 655 OD2 ASP A 41 -10.892 -10.845 -6.191 1.00 1.72 O ATOM 0 H ASP A 41 -11.275 -7.581 -2.985 1.00 0.14 H new ATOM 0 HA ASP A 41 -11.398 -10.302 -2.374 1.00 0.16 H new ATOM 0 HB2 ASP A 41 -12.739 -9.344 -4.127 1.00 0.21 H new ATOM 0 HB3 ASP A 41 -11.331 -8.723 -4.966 1.00 0.21 H new ATOM 660 N ILE A 42 -8.618 -9.343 -3.852 1.00 0.14 N ATOM 661 CA ILE A 42 -7.265 -9.762 -4.185 1.00 0.15 C ATOM 662 C ILE A 42 -6.464 -10.124 -2.930 1.00 0.14 C ATOM 663 O ILE A 42 -5.548 -10.932 -2.992 1.00 0.17 O ATOM 664 CB ILE A 42 -6.507 -8.686 -4.990 1.00 0.16 C ATOM 665 CG1 ILE A 42 -7.288 -8.295 -6.243 1.00 0.19 C ATOM 666 CG2 ILE A 42 -5.119 -9.187 -5.374 1.00 0.18 C ATOM 667 CD1 ILE A 42 -6.664 -7.140 -6.992 1.00 0.20 C ATOM 0 H ILE A 42 -8.813 -8.359 -4.039 1.00 0.14 H new ATOM 0 HA ILE A 42 -7.365 -10.650 -4.809 1.00 0.15 H new ATOM 0 HB ILE A 42 -6.401 -7.803 -4.359 1.00 0.16 H new ATOM 0 HG12 ILE A 42 -7.355 -9.157 -6.906 1.00 0.19 H new ATOM 0 HG13 ILE A 42 -8.307 -8.030 -5.961 1.00 0.19 H new ATOM 0 HG21 ILE A 42 -4.598 -8.416 -5.941 1.00 0.18 H new ATOM 0 HG22 ILE A 42 -4.553 -9.418 -4.472 1.00 0.18 H new ATOM 0 HG23 ILE A 42 -5.212 -10.085 -5.984 1.00 0.18 H new ATOM 0 HD11 ILE A 42 -7.265 -6.910 -7.872 1.00 0.20 H new ATOM 0 HD12 ILE A 42 -6.622 -6.266 -6.343 1.00 0.20 H new ATOM 0 HD13 ILE A 42 -5.655 -7.410 -7.303 1.00 0.20 H new ATOM 679 N VAL A 43 -6.792 -9.544 -1.785 1.00 0.11 N ATOM 680 CA VAL A 43 -6.124 -9.947 -0.557 1.00 0.11 C ATOM 681 C VAL A 43 -6.616 -11.319 -0.131 1.00 0.13 C ATOM 682 O VAL A 43 -5.831 -12.191 0.222 1.00 0.15 O ATOM 683 CB VAL A 43 -6.309 -8.961 0.615 1.00 0.09 C ATOM 684 CG1 VAL A 43 -5.608 -9.515 1.846 1.00 0.17 C ATOM 685 CG2 VAL A 43 -5.755 -7.593 0.275 1.00 0.14 C ATOM 0 H VAL A 43 -7.496 -8.813 -1.680 1.00 0.11 H new ATOM 0 HA VAL A 43 -5.059 -9.962 -0.788 1.00 0.11 H new ATOM 0 HB VAL A 43 -7.375 -8.848 0.812 1.00 0.09 H new ATOM 0 HG11 VAL A 43 -5.734 -8.823 2.679 1.00 0.17 H new ATOM 0 HG12 VAL A 43 -6.041 -10.481 2.107 1.00 0.17 H new ATOM 0 HG13 VAL A 43 -4.546 -9.639 1.635 1.00 0.17 H new ATOM 0 HG21 VAL A 43 -5.901 -6.921 1.121 1.00 0.14 H new ATOM 0 HG22 VAL A 43 -4.690 -7.676 0.056 1.00 0.14 H new ATOM 0 HG23 VAL A 43 -6.275 -7.196 -0.597 1.00 0.14 H new ATOM 695 N THR A 44 -7.917 -11.511 -0.183 1.00 0.14 N ATOM 696 CA THR A 44 -8.502 -12.794 0.155 1.00 0.19 C ATOM 697 C THR A 44 -8.085 -13.878 -0.854 1.00 0.22 C ATOM 698 O THR A 44 -7.870 -15.032 -0.485 1.00 0.28 O ATOM 699 CB THR A 44 -10.038 -12.668 0.232 1.00 0.30 C ATOM 700 OG1 THR A 44 -10.403 -11.896 1.383 1.00 0.97 O ATOM 701 CG2 THR A 44 -10.724 -14.021 0.282 1.00 0.83 C ATOM 0 H THR A 44 -8.591 -10.796 -0.456 1.00 0.14 H new ATOM 0 HA THR A 44 -8.128 -13.099 1.132 1.00 0.19 H new ATOM 0 HB THR A 44 -10.372 -12.166 -0.676 1.00 0.30 H new ATOM 0 HG1 THR A 44 -11.379 -11.817 1.428 1.00 0.97 H new ATOM 0 HG21 THR A 44 -11.803 -13.880 0.336 1.00 0.83 H new ATOM 0 HG22 THR A 44 -10.476 -14.588 -0.615 1.00 0.83 H new ATOM 0 HG23 THR A 44 -10.386 -14.568 1.162 1.00 0.83 H new ATOM 709 N LYS A 45 -7.927 -13.485 -2.113 1.00 0.22 N ATOM 710 CA LYS A 45 -7.613 -14.429 -3.180 1.00 0.27 C ATOM 711 C LYS A 45 -6.096 -14.629 -3.341 1.00 0.27 C ATOM 712 O LYS A 45 -5.620 -15.762 -3.423 1.00 0.30 O ATOM 713 CB LYS A 45 -8.266 -13.962 -4.491 1.00 0.28 C ATOM 714 CG LYS A 45 -7.351 -13.189 -5.417 1.00 0.32 C ATOM 715 CD LYS A 45 -8.105 -12.646 -6.618 1.00 0.33 C ATOM 716 CE LYS A 45 -7.224 -11.751 -7.467 1.00 1.22 C ATOM 717 NZ LYS A 45 -7.987 -11.124 -8.576 1.00 1.64 N ATOM 0 H LYS A 45 -8.011 -12.516 -2.421 1.00 0.22 H new ATOM 0 HA LYS A 45 -8.023 -15.403 -2.912 1.00 0.27 H new ATOM 0 HB2 LYS A 45 -8.644 -14.835 -5.023 1.00 0.28 H new ATOM 0 HB3 LYS A 45 -9.126 -13.338 -4.250 1.00 0.28 H new ATOM 0 HG2 LYS A 45 -6.891 -12.365 -4.872 1.00 0.32 H new ATOM 0 HG3 LYS A 45 -6.543 -13.837 -5.756 1.00 0.32 H new ATOM 0 HD2 LYS A 45 -8.474 -13.474 -7.222 1.00 0.33 H new ATOM 0 HD3 LYS A 45 -8.976 -12.086 -6.279 1.00 0.33 H new ATOM 0 HE2 LYS A 45 -6.785 -10.973 -6.842 1.00 1.22 H new ATOM 0 HE3 LYS A 45 -6.399 -12.334 -7.877 1.00 1.22 H new ATOM 0 HZ1 LYS A 45 -7.352 -10.519 -9.135 1.00 1.64 H new ATOM 0 HZ2 LYS A 45 -8.385 -11.866 -9.186 1.00 1.64 H new ATOM 0 HZ3 LYS A 45 -8.759 -10.547 -8.184 1.00 1.64 H new ATOM 731 N GLU A 46 -5.336 -13.536 -3.369 1.00 0.27 N ATOM 732 CA GLU A 46 -3.894 -13.617 -3.572 1.00 0.30 C ATOM 733 C GLU A 46 -3.143 -13.606 -2.264 1.00 0.29 C ATOM 734 O GLU A 46 -2.126 -14.283 -2.131 1.00 0.34 O ATOM 735 CB GLU A 46 -3.385 -12.484 -4.450 1.00 0.29 C ATOM 736 CG GLU A 46 -3.743 -12.711 -5.895 1.00 0.36 C ATOM 737 CD GLU A 46 -2.816 -12.014 -6.851 1.00 0.75 C ATOM 738 OE1 GLU A 46 -1.801 -12.632 -7.245 1.00 0.59 O ATOM 739 OE2 GLU A 46 -3.060 -10.845 -7.182 1.00 1.76 O ATOM 0 H GLU A 46 -5.694 -12.588 -3.254 1.00 0.27 H new ATOM 0 HA GLU A 46 -3.711 -14.566 -4.076 1.00 0.30 H new ATOM 0 HB2 GLU A 46 -3.810 -11.539 -4.112 1.00 0.29 H new ATOM 0 HB3 GLU A 46 -2.303 -12.401 -4.350 1.00 0.29 H new ATOM 0 HG2 GLU A 46 -3.731 -13.781 -6.102 1.00 0.36 H new ATOM 0 HG3 GLU A 46 -4.762 -12.365 -6.069 1.00 0.36 H new ATOM 746 N ARG A 47 -3.670 -12.857 -1.303 1.00 0.27 N ATOM 747 CA ARG A 47 -2.991 -12.626 -0.037 1.00 0.27 C ATOM 748 C ARG A 47 -1.637 -11.991 -0.301 1.00 0.27 C ATOM 749 O ARG A 47 -0.624 -12.684 -0.411 1.00 0.35 O ATOM 750 CB ARG A 47 -2.816 -13.943 0.728 1.00 0.32 C ATOM 751 CG ARG A 47 -2.616 -13.784 2.222 1.00 0.58 C ATOM 752 CD ARG A 47 -3.919 -13.428 2.913 1.00 1.26 C ATOM 753 NE ARG A 47 -3.802 -13.504 4.364 1.00 2.00 N ATOM 754 CZ ARG A 47 -4.675 -14.131 5.152 1.00 2.89 C ATOM 755 NH1 ARG A 47 -5.713 -14.773 4.627 1.00 3.35 N ATOM 756 NH2 ARG A 47 -4.507 -14.122 6.466 1.00 3.75 N ATOM 0 H ARG A 47 -4.576 -12.395 -1.380 1.00 0.27 H new ATOM 0 HA ARG A 47 -3.595 -11.954 0.573 1.00 0.27 H new ATOM 0 HB2 ARG A 47 -3.693 -14.567 0.557 1.00 0.32 H new ATOM 0 HB3 ARG A 47 -1.960 -14.477 0.315 1.00 0.32 H new ATOM 0 HG2 ARG A 47 -2.221 -14.710 2.640 1.00 0.58 H new ATOM 0 HG3 ARG A 47 -1.876 -13.007 2.412 1.00 0.58 H new ATOM 0 HD2 ARG A 47 -4.219 -12.421 2.625 1.00 1.26 H new ATOM 0 HD3 ARG A 47 -4.705 -14.104 2.576 1.00 1.26 H new ATOM 0 HE ARG A 47 -3.002 -13.049 4.804 1.00 2.00 H new ATOM 0 HH11 ARG A 47 -5.845 -14.788 3.616 1.00 3.35 H new ATOM 0 HH12 ARG A 47 -6.378 -15.251 5.235 1.00 3.35 H new ATOM 0 HH21 ARG A 47 -3.709 -13.635 6.875 1.00 3.75 H new ATOM 0 HH22 ARG A 47 -5.175 -14.602 7.069 1.00 3.75 H new ATOM 770 N PRO A 48 -1.601 -10.663 -0.456 1.00 0.23 N ATOM 771 CA PRO A 48 -0.361 -9.952 -0.705 1.00 0.22 C ATOM 772 C PRO A 48 0.498 -9.929 0.550 1.00 0.26 C ATOM 773 O PRO A 48 0.195 -10.601 1.532 1.00 0.44 O ATOM 774 CB PRO A 48 -0.807 -8.528 -1.079 1.00 0.18 C ATOM 775 CG PRO A 48 -2.287 -8.596 -1.225 1.00 0.19 C ATOM 776 CD PRO A 48 -2.739 -9.746 -0.373 1.00 0.34 C ATOM 0 HA PRO A 48 0.240 -10.419 -1.486 1.00 0.22 H new ATOM 0 HB2 PRO A 48 -0.522 -7.813 -0.307 1.00 0.18 H new ATOM 0 HB3 PRO A 48 -0.336 -8.201 -2.006 1.00 0.18 H new ATOM 0 HG2 PRO A 48 -2.753 -7.665 -0.902 1.00 0.19 H new ATOM 0 HG3 PRO A 48 -2.569 -8.749 -2.267 1.00 0.19 H new ATOM 0 HD2 PRO A 48 -2.939 -9.438 0.653 1.00 0.34 H new ATOM 0 HD3 PRO A 48 -3.655 -10.199 -0.754 1.00 0.34 H new ATOM 784 N ASP A 49 1.556 -9.151 0.529 1.00 0.25 N ATOM 785 CA ASP A 49 2.404 -9.034 1.696 1.00 0.30 C ATOM 786 C ASP A 49 2.337 -7.609 2.219 1.00 0.27 C ATOM 787 O ASP A 49 2.663 -7.342 3.373 1.00 0.47 O ATOM 788 CB ASP A 49 3.833 -9.435 1.348 1.00 0.41 C ATOM 789 CG ASP A 49 4.419 -10.443 2.325 1.00 0.80 C ATOM 790 OD1 ASP A 49 4.807 -10.040 3.446 1.00 1.10 O ATOM 791 OD2 ASP A 49 4.491 -11.643 1.984 1.00 1.43 O ATOM 0 H ASP A 49 1.849 -8.594 -0.274 1.00 0.25 H new ATOM 0 HA ASP A 49 2.055 -9.708 2.479 1.00 0.30 H new ATOM 0 HB2 ASP A 49 3.852 -9.857 0.343 1.00 0.41 H new ATOM 0 HB3 ASP A 49 4.461 -8.544 1.332 1.00 0.41 H new ATOM 796 N LEU A 50 1.910 -6.697 1.347 1.00 0.17 N ATOM 797 CA LEU A 50 1.645 -5.313 1.734 1.00 0.17 C ATOM 798 C LEU A 50 0.556 -4.726 0.826 1.00 0.14 C ATOM 799 O LEU A 50 0.478 -5.051 -0.358 1.00 0.15 O ATOM 800 CB LEU A 50 2.943 -4.475 1.718 1.00 0.24 C ATOM 801 CG LEU A 50 2.789 -2.976 2.013 1.00 0.19 C ATOM 802 CD1 LEU A 50 3.983 -2.476 2.814 1.00 0.38 C ATOM 803 CD2 LEU A 50 2.673 -2.194 0.717 1.00 0.45 C ATOM 0 H LEU A 50 1.739 -6.894 0.361 1.00 0.17 H new ATOM 0 HA LEU A 50 1.276 -5.287 2.759 1.00 0.17 H new ATOM 0 HB2 LEU A 50 3.632 -4.898 2.448 1.00 0.24 H new ATOM 0 HB3 LEU A 50 3.409 -4.585 0.739 1.00 0.24 H new ATOM 0 HG LEU A 50 1.881 -2.827 2.597 1.00 0.19 H new ATOM 0 HD11 LEU A 50 3.864 -1.412 3.018 1.00 0.38 H new ATOM 0 HD12 LEU A 50 4.044 -3.022 3.756 1.00 0.38 H new ATOM 0 HD13 LEU A 50 4.897 -2.636 2.243 1.00 0.38 H new ATOM 0 HD21 LEU A 50 2.564 -1.133 0.941 1.00 0.45 H new ATOM 0 HD22 LEU A 50 3.570 -2.348 0.117 1.00 0.45 H new ATOM 0 HD23 LEU A 50 1.801 -2.539 0.161 1.00 0.45 H new ATOM 815 N VAL A 51 -0.302 -3.891 1.396 1.00 0.14 N ATOM 816 CA VAL A 51 -1.468 -3.361 0.689 1.00 0.14 C ATOM 817 C VAL A 51 -1.517 -1.838 0.823 1.00 0.17 C ATOM 818 O VAL A 51 -1.155 -1.305 1.863 1.00 0.39 O ATOM 819 CB VAL A 51 -2.772 -3.948 1.283 1.00 0.14 C ATOM 820 CG1 VAL A 51 -3.998 -3.429 0.551 1.00 0.97 C ATOM 821 CG2 VAL A 51 -2.745 -5.469 1.260 1.00 0.94 C ATOM 0 H VAL A 51 -0.213 -3.561 2.357 1.00 0.14 H new ATOM 0 HA VAL A 51 -1.383 -3.641 -0.361 1.00 0.14 H new ATOM 0 HB VAL A 51 -2.834 -3.619 2.320 1.00 0.14 H new ATOM 0 HG11 VAL A 51 -4.896 -3.861 0.993 1.00 0.97 H new ATOM 0 HG12 VAL A 51 -4.039 -2.343 0.634 1.00 0.97 H new ATOM 0 HG13 VAL A 51 -3.940 -3.710 -0.500 1.00 0.97 H new ATOM 0 HG21 VAL A 51 -3.672 -5.856 1.683 1.00 0.94 H new ATOM 0 HG22 VAL A 51 -2.643 -5.816 0.232 1.00 0.94 H new ATOM 0 HG23 VAL A 51 -1.901 -5.827 1.849 1.00 0.94 H new ATOM 831 N LEU A 52 -1.951 -1.143 -0.220 1.00 0.14 N ATOM 832 CA LEU A 52 -2.166 0.297 -0.152 1.00 0.13 C ATOM 833 C LEU A 52 -3.574 0.664 -0.608 1.00 0.14 C ATOM 834 O LEU A 52 -4.022 0.263 -1.686 1.00 0.18 O ATOM 835 CB LEU A 52 -1.137 1.075 -0.979 1.00 0.15 C ATOM 836 CG LEU A 52 0.009 1.694 -0.173 1.00 0.17 C ATOM 837 CD1 LEU A 52 1.067 0.653 0.145 1.00 0.20 C ATOM 838 CD2 LEU A 52 0.618 2.867 -0.924 1.00 0.25 C ATOM 0 H LEU A 52 -2.162 -1.556 -1.128 1.00 0.14 H new ATOM 0 HA LEU A 52 -2.043 0.580 0.893 1.00 0.13 H new ATOM 0 HB2 LEU A 52 -0.714 0.405 -1.728 1.00 0.15 H new ATOM 0 HB3 LEU A 52 -1.653 1.870 -1.518 1.00 0.15 H new ATOM 0 HG LEU A 52 -0.397 2.064 0.769 1.00 0.17 H new ATOM 0 HD11 LEU A 52 1.871 1.115 0.718 1.00 0.20 H new ATOM 0 HD12 LEU A 52 0.621 -0.152 0.729 1.00 0.20 H new ATOM 0 HD13 LEU A 52 1.469 0.248 -0.783 1.00 0.20 H new ATOM 0 HD21 LEU A 52 1.430 3.294 -0.336 1.00 0.25 H new ATOM 0 HD22 LEU A 52 1.006 2.523 -1.883 1.00 0.25 H new ATOM 0 HD23 LEU A 52 -0.145 3.627 -1.093 1.00 0.25 H new ATOM 850 N LEU A 53 -4.261 1.434 0.226 1.00 0.16 N ATOM 851 CA LEU A 53 -5.627 1.864 -0.051 1.00 0.17 C ATOM 852 C LEU A 53 -5.692 3.381 -0.113 1.00 0.19 C ATOM 853 O LEU A 53 -5.594 4.042 0.912 1.00 0.36 O ATOM 854 CB LEU A 53 -6.583 1.401 1.058 1.00 0.21 C ATOM 855 CG LEU A 53 -6.471 -0.063 1.486 1.00 0.25 C ATOM 856 CD1 LEU A 53 -7.472 -0.365 2.576 1.00 0.42 C ATOM 857 CD2 LEU A 53 -6.676 -0.996 0.307 1.00 0.53 C ATOM 0 H LEU A 53 -3.889 1.778 1.111 1.00 0.16 H new ATOM 0 HA LEU A 53 -5.923 1.425 -1.003 1.00 0.17 H new ATOM 0 HB2 LEU A 53 -6.417 2.027 1.935 1.00 0.21 H new ATOM 0 HB3 LEU A 53 -7.605 1.582 0.726 1.00 0.21 H new ATOM 0 HG LEU A 53 -5.465 -0.227 1.873 1.00 0.25 H new ATOM 0 HD11 LEU A 53 -7.383 -1.410 2.872 1.00 0.42 H new ATOM 0 HD12 LEU A 53 -7.276 0.274 3.437 1.00 0.42 H new ATOM 0 HD13 LEU A 53 -8.480 -0.178 2.206 1.00 0.42 H new ATOM 0 HD21 LEU A 53 -6.591 -2.030 0.642 1.00 0.53 H new ATOM 0 HD22 LEU A 53 -7.666 -0.833 -0.118 1.00 0.53 H new ATOM 0 HD23 LEU A 53 -5.918 -0.796 -0.451 1.00 0.53 H new ATOM 869 N ASP A 54 -5.849 3.946 -1.292 1.00 0.23 N ATOM 870 CA ASP A 54 -6.005 5.390 -1.393 1.00 0.23 C ATOM 871 C ASP A 54 -7.441 5.772 -1.086 1.00 0.24 C ATOM 872 O ASP A 54 -8.321 5.547 -1.897 1.00 0.29 O ATOM 873 CB ASP A 54 -5.641 5.896 -2.787 1.00 0.29 C ATOM 874 CG ASP A 54 -5.655 7.409 -2.859 1.00 0.31 C ATOM 875 OD1 ASP A 54 -5.321 8.052 -1.842 1.00 0.33 O ATOM 876 OD2 ASP A 54 -6.017 7.954 -3.918 1.00 0.35 O ATOM 0 H ASP A 54 -5.872 3.444 -2.179 1.00 0.23 H new ATOM 0 HA ASP A 54 -5.329 5.850 -0.672 1.00 0.23 H new ATOM 0 HB2 ASP A 54 -4.652 5.529 -3.060 1.00 0.29 H new ATOM 0 HB3 ASP A 54 -6.344 5.491 -3.515 1.00 0.29 H new ATOM 881 N MET A 55 -7.693 6.354 0.079 1.00 0.22 N ATOM 882 CA MET A 55 -9.054 6.772 0.414 1.00 0.25 C ATOM 883 C MET A 55 -9.373 8.079 -0.304 1.00 0.26 C ATOM 884 O MET A 55 -10.435 8.677 -0.123 1.00 0.29 O ATOM 885 CB MET A 55 -9.259 6.891 1.937 1.00 0.26 C ATOM 886 CG MET A 55 -8.341 7.887 2.649 1.00 0.25 C ATOM 887 SD MET A 55 -8.798 9.618 2.402 1.00 0.68 S ATOM 888 CE MET A 55 -10.480 9.617 3.021 1.00 0.38 C ATOM 0 H MET A 55 -6.993 6.546 0.796 1.00 0.22 H new ATOM 0 HA MET A 55 -9.750 6.005 0.073 1.00 0.25 H new ATOM 0 HB2 MET A 55 -10.293 7.178 2.126 1.00 0.26 H new ATOM 0 HB3 MET A 55 -9.115 5.907 2.384 1.00 0.26 H new ATOM 0 HG2 MET A 55 -8.346 7.670 3.717 1.00 0.25 H new ATOM 0 HG3 MET A 55 -7.320 7.738 2.298 1.00 0.25 H new ATOM 0 HE1 MET A 55 -10.789 10.640 3.236 1.00 0.38 H new ATOM 0 HE2 MET A 55 -11.144 9.188 2.270 1.00 0.38 H new ATOM 0 HE3 MET A 55 -10.532 9.023 3.933 1.00 0.38 H new ATOM 898 N LYS A 56 -8.430 8.488 -1.136 1.00 0.26 N ATOM 899 CA LYS A 56 -8.561 9.662 -1.968 1.00 0.31 C ATOM 900 C LYS A 56 -9.006 9.244 -3.366 1.00 0.35 C ATOM 901 O LYS A 56 -9.373 10.078 -4.198 1.00 0.41 O ATOM 902 CB LYS A 56 -7.221 10.382 -2.005 1.00 0.35 C ATOM 903 CG LYS A 56 -7.197 11.635 -2.848 1.00 0.45 C ATOM 904 CD LYS A 56 -8.415 12.521 -2.616 1.00 0.49 C ATOM 905 CE LYS A 56 -8.698 12.734 -1.142 1.00 0.38 C ATOM 906 NZ LYS A 56 -9.646 13.861 -0.922 1.00 0.44 N ATOM 0 H LYS A 56 -7.540 8.003 -1.251 1.00 0.26 H new ATOM 0 HA LYS A 56 -9.313 10.340 -1.564 1.00 0.31 H new ATOM 0 HB2 LYS A 56 -6.936 10.642 -0.985 1.00 0.35 H new ATOM 0 HB3 LYS A 56 -6.465 9.693 -2.382 1.00 0.35 H new ATOM 0 HG2 LYS A 56 -6.293 12.201 -2.625 1.00 0.45 H new ATOM 0 HG3 LYS A 56 -7.149 11.359 -3.901 1.00 0.45 H new ATOM 0 HD2 LYS A 56 -8.256 13.486 -3.097 1.00 0.49 H new ATOM 0 HD3 LYS A 56 -9.286 12.069 -3.089 1.00 0.49 H new ATOM 0 HE2 LYS A 56 -9.113 11.821 -0.715 1.00 0.38 H new ATOM 0 HE3 LYS A 56 -7.764 12.936 -0.617 1.00 0.38 H new ATOM 0 HZ1 LYS A 56 -9.712 14.066 0.096 1.00 0.44 H new ATOM 0 HZ2 LYS A 56 -9.304 14.705 -1.424 1.00 0.44 H new ATOM 0 HZ3 LYS A 56 -10.585 13.600 -1.284 1.00 0.44 H new ATOM 920 N ILE A 57 -9.000 7.934 -3.584 1.00 0.36 N ATOM 921 CA ILE A 57 -9.369 7.337 -4.858 1.00 0.43 C ATOM 922 C ILE A 57 -10.679 7.927 -5.391 1.00 0.38 C ATOM 923 O ILE A 57 -11.617 8.177 -4.628 1.00 0.45 O ATOM 924 CB ILE A 57 -9.511 5.800 -4.706 1.00 0.57 C ATOM 925 CG1 ILE A 57 -9.772 5.133 -6.058 1.00 0.93 C ATOM 926 CG2 ILE A 57 -10.631 5.462 -3.728 1.00 0.71 C ATOM 927 CD1 ILE A 57 -10.038 3.647 -5.964 1.00 1.79 C ATOM 0 H ILE A 57 -8.736 7.252 -2.873 1.00 0.36 H new ATOM 0 HA ILE A 57 -8.577 7.560 -5.573 1.00 0.43 H new ATOM 0 HB ILE A 57 -8.570 5.415 -4.313 1.00 0.57 H new ATOM 0 HG12 ILE A 57 -10.626 5.616 -6.532 1.00 0.93 H new ATOM 0 HG13 ILE A 57 -8.912 5.298 -6.706 1.00 0.93 H new ATOM 0 HG21 ILE A 57 -10.717 4.380 -3.633 1.00 0.71 H new ATOM 0 HG22 ILE A 57 -10.406 5.895 -2.753 1.00 0.71 H new ATOM 0 HG23 ILE A 57 -11.572 5.870 -4.097 1.00 0.71 H new ATOM 0 HD11 ILE A 57 -10.214 3.245 -6.962 1.00 1.79 H new ATOM 0 HD12 ILE A 57 -9.175 3.150 -5.520 1.00 1.79 H new ATOM 0 HD13 ILE A 57 -10.917 3.473 -5.343 1.00 1.79 H new ATOM 939 N PRO A 58 -10.747 8.193 -6.707 1.00 0.34 N ATOM 940 CA PRO A 58 -11.968 8.685 -7.363 1.00 0.31 C ATOM 941 C PRO A 58 -13.175 7.763 -7.151 1.00 0.41 C ATOM 942 O PRO A 58 -14.313 8.142 -7.434 1.00 1.18 O ATOM 943 CB PRO A 58 -11.584 8.733 -8.840 1.00 0.46 C ATOM 944 CG PRO A 58 -10.100 8.845 -8.843 1.00 0.70 C ATOM 945 CD PRO A 58 -9.626 8.076 -7.654 1.00 0.41 C ATOM 0 HA PRO A 58 -12.281 9.646 -6.956 1.00 0.31 H new ATOM 0 HB2 PRO A 58 -11.914 7.836 -9.364 1.00 0.46 H new ATOM 0 HB3 PRO A 58 -12.046 9.583 -9.342 1.00 0.46 H new ATOM 0 HG2 PRO A 58 -9.680 8.439 -9.763 1.00 0.70 H new ATOM 0 HG3 PRO A 58 -9.787 9.888 -8.783 1.00 0.70 H new ATOM 0 HD2 PRO A 58 -9.418 7.036 -7.904 1.00 0.41 H new ATOM 0 HD3 PRO A 58 -8.707 8.495 -7.244 1.00 0.41 H new ATOM 953 N GLY A 59 -12.917 6.553 -6.662 1.00 0.86 N ATOM 954 CA GLY A 59 -13.990 5.639 -6.324 1.00 0.93 C ATOM 955 C GLY A 59 -14.383 5.753 -4.862 1.00 0.80 C ATOM 956 O GLY A 59 -14.748 6.832 -4.393 1.00 1.71 O ATOM 0 H GLY A 59 -11.979 6.190 -6.494 1.00 0.86 H new ATOM 0 HA2 GLY A 59 -14.857 5.847 -6.951 1.00 0.93 H new ATOM 0 HA3 GLY A 59 -13.679 4.617 -6.539 1.00 0.93 H new ATOM 960 N MET A 60 -14.295 4.646 -4.138 1.00 0.77 N ATOM 961 CA MET A 60 -14.634 4.625 -2.720 1.00 0.49 C ATOM 962 C MET A 60 -13.451 4.170 -1.878 1.00 0.60 C ATOM 963 O MET A 60 -12.595 3.416 -2.351 1.00 1.30 O ATOM 964 CB MET A 60 -15.821 3.699 -2.468 1.00 0.65 C ATOM 965 CG MET A 60 -17.140 4.228 -3.002 1.00 0.83 C ATOM 966 SD MET A 60 -17.698 5.704 -2.129 1.00 1.92 S ATOM 967 CE MET A 60 -17.835 5.064 -0.461 1.00 2.52 C ATOM 0 H MET A 60 -13.990 3.747 -4.510 1.00 0.77 H new ATOM 0 HA MET A 60 -14.899 5.642 -2.430 1.00 0.49 H new ATOM 0 HB2 MET A 60 -15.617 2.731 -2.926 1.00 0.65 H new ATOM 0 HB3 MET A 60 -15.916 3.531 -1.395 1.00 0.65 H new ATOM 0 HG2 MET A 60 -17.033 4.456 -4.063 1.00 0.83 H new ATOM 0 HG3 MET A 60 -17.900 3.451 -2.918 1.00 0.83 H new ATOM 0 HE1 MET A 60 -18.542 5.671 0.105 1.00 2.52 H new ATOM 0 HE2 MET A 60 -18.187 4.033 -0.495 1.00 2.52 H new ATOM 0 HE3 MET A 60 -16.859 5.099 0.023 1.00 2.52 H new ATOM 977 N ASP A 61 -13.418 4.624 -0.628 1.00 0.36 N ATOM 978 CA ASP A 61 -12.370 4.243 0.315 1.00 0.35 C ATOM 979 C ASP A 61 -12.316 2.741 0.516 1.00 0.47 C ATOM 980 O ASP A 61 -13.306 2.028 0.343 1.00 1.11 O ATOM 981 CB ASP A 61 -12.580 4.905 1.684 1.00 0.42 C ATOM 982 CG ASP A 61 -14.011 4.810 2.165 1.00 0.68 C ATOM 983 OD1 ASP A 61 -14.846 5.611 1.697 1.00 0.99 O ATOM 984 OD2 ASP A 61 -14.303 3.944 3.016 1.00 1.07 O ATOM 0 H ASP A 61 -14.113 5.263 -0.242 1.00 0.36 H new ATOM 0 HA ASP A 61 -11.431 4.585 -0.119 1.00 0.35 H new ATOM 0 HB2 ASP A 61 -11.923 4.434 2.415 1.00 0.42 H new ATOM 0 HB3 ASP A 61 -12.290 5.954 1.624 1.00 0.42 H new ATOM 989 N GLY A 62 -11.142 2.270 0.884 1.00 0.36 N ATOM 990 CA GLY A 62 -10.987 0.890 1.246 1.00 0.32 C ATOM 991 C GLY A 62 -10.901 0.730 2.744 1.00 0.29 C ATOM 992 O GLY A 62 -10.335 -0.233 3.241 1.00 0.31 O ATOM 0 H GLY A 62 -10.289 2.826 0.938 1.00 0.36 H new ATOM 0 HA2 GLY A 62 -11.829 0.313 0.863 1.00 0.32 H new ATOM 0 HA3 GLY A 62 -10.087 0.487 0.781 1.00 0.32 H new ATOM 996 N ILE A 63 -11.472 1.677 3.469 1.00 0.28 N ATOM 997 CA ILE A 63 -11.398 1.667 4.920 1.00 0.29 C ATOM 998 C ILE A 63 -12.061 0.400 5.480 1.00 0.29 C ATOM 999 O ILE A 63 -11.424 -0.390 6.179 1.00 0.31 O ATOM 1000 CB ILE A 63 -12.056 2.930 5.534 1.00 0.30 C ATOM 1001 CG1 ILE A 63 -11.136 4.165 5.439 1.00 0.34 C ATOM 1002 CG2 ILE A 63 -12.420 2.678 6.992 1.00 0.41 C ATOM 1003 CD1 ILE A 63 -10.429 4.361 4.119 1.00 0.52 C ATOM 0 H ILE A 63 -11.992 2.462 3.077 1.00 0.28 H new ATOM 0 HA ILE A 63 -10.344 1.671 5.197 1.00 0.29 H new ATOM 0 HB ILE A 63 -12.958 3.137 4.958 1.00 0.30 H new ATOM 0 HG12 ILE A 63 -11.731 5.054 5.646 1.00 0.34 H new ATOM 0 HG13 ILE A 63 -10.384 4.095 6.225 1.00 0.34 H new ATOM 0 HG21 ILE A 63 -12.881 3.572 7.412 1.00 0.41 H new ATOM 0 HG22 ILE A 63 -13.121 1.845 7.053 1.00 0.41 H new ATOM 0 HG23 ILE A 63 -11.519 2.436 7.555 1.00 0.41 H new ATOM 0 HD11 ILE A 63 -9.811 5.258 4.167 1.00 0.52 H new ATOM 0 HD12 ILE A 63 -9.798 3.496 3.912 1.00 0.52 H new ATOM 0 HD13 ILE A 63 -11.167 4.471 3.324 1.00 0.52 H new ATOM 1015 N GLU A 64 -13.339 0.199 5.146 1.00 0.31 N ATOM 1016 CA GLU A 64 -14.043 -1.032 5.510 1.00 0.35 C ATOM 1017 C GLU A 64 -13.394 -2.226 4.828 1.00 0.29 C ATOM 1018 O GLU A 64 -13.516 -3.357 5.274 1.00 0.28 O ATOM 1019 CB GLU A 64 -15.513 -0.963 5.119 1.00 0.46 C ATOM 1020 CG GLU A 64 -16.333 -0.069 6.022 1.00 0.73 C ATOM 1021 CD GLU A 64 -17.813 -0.164 5.726 1.00 1.14 C ATOM 1022 OE1 GLU A 64 -18.444 -1.163 6.127 1.00 1.69 O ATOM 1023 OE2 GLU A 64 -18.357 0.778 5.107 1.00 1.63 O ATOM 0 H GLU A 64 -13.904 0.870 4.626 1.00 0.31 H new ATOM 0 HA GLU A 64 -13.978 -1.146 6.592 1.00 0.35 H new ATOM 0 HB2 GLU A 64 -15.592 -0.602 4.094 1.00 0.46 H new ATOM 0 HB3 GLU A 64 -15.934 -1.968 5.136 1.00 0.46 H new ATOM 0 HG2 GLU A 64 -16.154 -0.342 7.062 1.00 0.73 H new ATOM 0 HG3 GLU A 64 -16.006 0.964 5.903 1.00 0.73 H new ATOM 1030 N ILE A 65 -12.697 -1.952 3.745 1.00 0.26 N ATOM 1031 CA ILE A 65 -11.995 -2.978 2.995 1.00 0.24 C ATOM 1032 C ILE A 65 -10.865 -3.553 3.847 1.00 0.24 C ATOM 1033 O ILE A 65 -10.757 -4.766 4.010 1.00 0.24 O ATOM 1034 CB ILE A 65 -11.427 -2.396 1.673 1.00 0.23 C ATOM 1035 CG1 ILE A 65 -12.516 -2.252 0.593 1.00 0.38 C ATOM 1036 CG2 ILE A 65 -10.270 -3.243 1.153 1.00 0.26 C ATOM 1037 CD1 ILE A 65 -13.837 -1.695 1.075 1.00 0.50 C ATOM 0 H ILE A 65 -12.600 -1.013 3.358 1.00 0.26 H new ATOM 0 HA ILE A 65 -12.697 -3.773 2.744 1.00 0.24 H new ATOM 0 HB ILE A 65 -11.052 -1.398 1.900 1.00 0.23 H new ATOM 0 HG12 ILE A 65 -12.136 -1.606 -0.199 1.00 0.38 H new ATOM 0 HG13 ILE A 65 -12.694 -3.231 0.148 1.00 0.38 H new ATOM 0 HG21 ILE A 65 -9.892 -2.812 0.226 1.00 0.26 H new ATOM 0 HG22 ILE A 65 -9.472 -3.264 1.895 1.00 0.26 H new ATOM 0 HG23 ILE A 65 -10.618 -4.259 0.965 1.00 0.26 H new ATOM 0 HD11 ILE A 65 -14.533 -1.634 0.238 1.00 0.50 H new ATOM 0 HD12 ILE A 65 -14.249 -2.349 1.843 1.00 0.50 H new ATOM 0 HD13 ILE A 65 -13.682 -0.700 1.491 1.00 0.50 H new ATOM 1049 N ALA A 66 -10.045 -2.670 4.410 1.00 0.25 N ATOM 1050 CA ALA A 66 -8.979 -3.075 5.317 1.00 0.26 C ATOM 1051 C ALA A 66 -9.572 -3.588 6.617 1.00 0.24 C ATOM 1052 O ALA A 66 -8.942 -4.332 7.343 1.00 0.26 O ATOM 1053 CB ALA A 66 -8.033 -1.919 5.592 1.00 0.28 C ATOM 0 H ALA A 66 -10.100 -1.664 4.252 1.00 0.25 H new ATOM 0 HA ALA A 66 -8.409 -3.875 4.844 1.00 0.26 H new ATOM 0 HB1 ALA A 66 -7.246 -2.247 6.272 1.00 0.28 H new ATOM 0 HB2 ALA A 66 -7.587 -1.583 4.656 1.00 0.28 H new ATOM 0 HB3 ALA A 66 -8.586 -1.097 6.046 1.00 0.28 H new ATOM 1059 N LYS A 67 -10.787 -3.160 6.898 1.00 0.23 N ATOM 1060 CA LYS A 67 -11.559 -3.671 8.024 1.00 0.23 C ATOM 1061 C LYS A 67 -11.927 -5.141 7.802 1.00 0.24 C ATOM 1062 O LYS A 67 -11.803 -5.974 8.695 1.00 0.29 O ATOM 1063 CB LYS A 67 -12.805 -2.793 8.178 1.00 0.26 C ATOM 1064 CG LYS A 67 -14.100 -3.528 8.458 1.00 0.38 C ATOM 1065 CD LYS A 67 -14.344 -3.677 9.949 1.00 0.41 C ATOM 1066 CE LYS A 67 -15.515 -2.816 10.394 1.00 0.72 C ATOM 1067 NZ LYS A 67 -15.769 -2.926 11.855 1.00 1.05 N ATOM 0 H LYS A 67 -11.272 -2.447 6.353 1.00 0.23 H new ATOM 0 HA LYS A 67 -10.971 -3.630 8.941 1.00 0.23 H new ATOM 0 HB2 LYS A 67 -12.629 -2.085 8.987 1.00 0.26 H new ATOM 0 HB3 LYS A 67 -12.930 -2.210 7.266 1.00 0.26 H new ATOM 0 HG2 LYS A 67 -14.931 -2.988 8.004 1.00 0.38 H new ATOM 0 HG3 LYS A 67 -14.068 -4.513 7.993 1.00 0.38 H new ATOM 0 HD2 LYS A 67 -14.544 -4.722 10.186 1.00 0.41 H new ATOM 0 HD3 LYS A 67 -13.447 -3.391 10.499 1.00 0.41 H new ATOM 0 HE2 LYS A 67 -15.316 -1.775 10.139 1.00 0.72 H new ATOM 0 HE3 LYS A 67 -16.410 -3.113 9.848 1.00 0.72 H new ATOM 0 HZ1 LYS A 67 -16.576 -2.323 12.114 1.00 1.05 H new ATOM 0 HZ2 LYS A 67 -15.985 -3.914 12.096 1.00 1.05 H new ATOM 0 HZ3 LYS A 67 -14.925 -2.618 12.378 1.00 1.05 H new ATOM 1081 N ARG A 68 -12.360 -5.457 6.604 1.00 0.22 N ATOM 1082 CA ARG A 68 -12.717 -6.819 6.260 1.00 0.23 C ATOM 1083 C ARG A 68 -11.455 -7.632 6.048 1.00 0.24 C ATOM 1084 O ARG A 68 -11.411 -8.830 6.321 1.00 0.29 O ATOM 1085 CB ARG A 68 -13.598 -6.811 5.016 1.00 0.25 C ATOM 1086 CG ARG A 68 -14.870 -6.018 5.240 1.00 0.28 C ATOM 1087 CD ARG A 68 -15.434 -5.448 3.950 1.00 0.30 C ATOM 1088 NE ARG A 68 -16.463 -4.440 4.220 1.00 0.84 N ATOM 1089 CZ ARG A 68 -17.290 -3.943 3.301 1.00 0.93 C ATOM 1090 NH1 ARG A 68 -17.332 -4.468 2.083 1.00 0.68 N ATOM 1091 NH2 ARG A 68 -18.111 -2.948 3.615 1.00 1.58 N ATOM 0 H ARG A 68 -12.475 -4.786 5.844 1.00 0.22 H new ATOM 0 HA ARG A 68 -13.282 -7.280 7.070 1.00 0.23 H new ATOM 0 HB2 ARG A 68 -13.044 -6.384 4.180 1.00 0.25 H new ATOM 0 HB3 ARG A 68 -13.850 -7.835 4.741 1.00 0.25 H new ATOM 0 HG2 ARG A 68 -15.617 -6.660 5.707 1.00 0.28 H new ATOM 0 HG3 ARG A 68 -14.669 -5.204 5.936 1.00 0.28 H new ATOM 0 HD2 ARG A 68 -14.630 -5.002 3.364 1.00 0.30 H new ATOM 0 HD3 ARG A 68 -15.858 -6.252 3.349 1.00 0.30 H new ATOM 0 HE ARG A 68 -16.552 -4.096 5.176 1.00 0.84 H new ATOM 0 HH11 ARG A 68 -16.729 -5.256 1.846 1.00 0.68 H new ATOM 0 HH12 ARG A 68 -17.967 -4.083 1.384 1.00 0.68 H new ATOM 0 HH21 ARG A 68 -18.109 -2.564 4.560 1.00 1.58 H new ATOM 0 HH22 ARG A 68 -18.744 -2.568 2.911 1.00 1.58 H new ATOM 1105 N MET A 69 -10.413 -6.958 5.594 1.00 0.23 N ATOM 1106 CA MET A 69 -9.117 -7.585 5.435 1.00 0.26 C ATOM 1107 C MET A 69 -8.378 -7.641 6.770 1.00 0.18 C ATOM 1108 O MET A 69 -7.425 -8.402 6.920 1.00 0.19 O ATOM 1109 CB MET A 69 -8.298 -6.872 4.354 1.00 0.42 C ATOM 1110 CG MET A 69 -8.741 -7.196 2.917 1.00 0.60 C ATOM 1111 SD MET A 69 -8.818 -8.973 2.569 1.00 2.21 S ATOM 1112 CE MET A 69 -10.395 -9.443 3.282 1.00 3.06 C ATOM 0 H MET A 69 -10.442 -5.973 5.329 1.00 0.23 H new ATOM 0 HA MET A 69 -9.265 -8.613 5.103 1.00 0.26 H new ATOM 0 HB2 MET A 69 -8.368 -5.796 4.511 1.00 0.42 H new ATOM 0 HB3 MET A 69 -7.249 -7.143 4.470 1.00 0.42 H new ATOM 0 HG2 MET A 69 -9.722 -6.756 2.740 1.00 0.60 H new ATOM 0 HG3 MET A 69 -8.050 -6.726 2.217 1.00 0.60 H new ATOM 0 HE1 MET A 69 -10.229 -10.126 4.115 1.00 3.06 H new ATOM 0 HE2 MET A 69 -10.912 -8.553 3.641 1.00 3.06 H new ATOM 0 HE3 MET A 69 -11.004 -9.936 2.524 1.00 3.06 H new ATOM 1122 N LYS A 70 -8.826 -6.862 7.758 1.00 0.19 N ATOM 1123 CA LYS A 70 -8.334 -7.043 9.117 1.00 0.20 C ATOM 1124 C LYS A 70 -9.142 -8.147 9.779 1.00 0.19 C ATOM 1125 O LYS A 70 -8.727 -8.738 10.772 1.00 0.23 O ATOM 1126 CB LYS A 70 -8.363 -5.764 9.980 1.00 0.27 C ATOM 1127 CG LYS A 70 -9.710 -5.463 10.598 1.00 0.34 C ATOM 1128 CD LYS A 70 -9.596 -5.085 12.069 1.00 0.40 C ATOM 1129 CE LYS A 70 -8.999 -6.221 12.887 1.00 0.47 C ATOM 1130 NZ LYS A 70 -9.030 -5.942 14.347 1.00 0.75 N ATOM 0 H LYS A 70 -9.513 -6.117 7.643 1.00 0.19 H new ATOM 0 HA LYS A 70 -7.280 -7.312 9.044 1.00 0.20 H new ATOM 0 HB2 LYS A 70 -7.624 -5.859 10.776 1.00 0.27 H new ATOM 0 HB3 LYS A 70 -8.061 -4.917 9.364 1.00 0.27 H new ATOM 0 HG2 LYS A 70 -10.185 -4.649 10.051 1.00 0.34 H new ATOM 0 HG3 LYS A 70 -10.357 -6.334 10.498 1.00 0.34 H new ATOM 0 HD2 LYS A 70 -8.975 -4.195 12.171 1.00 0.40 H new ATOM 0 HD3 LYS A 70 -10.582 -4.832 12.459 1.00 0.40 H new ATOM 0 HE2 LYS A 70 -9.548 -7.140 12.683 1.00 0.47 H new ATOM 0 HE3 LYS A 70 -7.969 -6.389 12.573 1.00 0.47 H new ATOM 0 HZ1 LYS A 70 -8.613 -6.743 14.862 1.00 0.75 H new ATOM 0 HZ2 LYS A 70 -8.484 -5.080 14.547 1.00 0.75 H new ATOM 0 HZ3 LYS A 70 -10.015 -5.807 14.654 1.00 0.75 H new ATOM 1144 N VAL A 71 -10.307 -8.412 9.224 1.00 0.19 N ATOM 1145 CA VAL A 71 -11.064 -9.586 9.600 1.00 0.23 C ATOM 1146 C VAL A 71 -10.449 -10.835 8.947 1.00 0.27 C ATOM 1147 O VAL A 71 -10.498 -11.932 9.504 1.00 0.32 O ATOM 1148 CB VAL A 71 -12.556 -9.422 9.213 1.00 0.25 C ATOM 1149 CG1 VAL A 71 -13.296 -10.753 9.248 1.00 0.32 C ATOM 1150 CG2 VAL A 71 -13.229 -8.426 10.147 1.00 0.25 C ATOM 0 H VAL A 71 -10.749 -7.830 8.512 1.00 0.19 H new ATOM 0 HA VAL A 71 -11.018 -9.708 10.682 1.00 0.23 H new ATOM 0 HB VAL A 71 -12.596 -9.047 8.190 1.00 0.25 H new ATOM 0 HG11 VAL A 71 -14.339 -10.597 8.971 1.00 0.32 H new ATOM 0 HG12 VAL A 71 -12.833 -11.445 8.545 1.00 0.32 H new ATOM 0 HG13 VAL A 71 -13.246 -11.171 10.254 1.00 0.32 H new ATOM 0 HG21 VAL A 71 -14.277 -8.317 9.868 1.00 0.25 H new ATOM 0 HG22 VAL A 71 -13.162 -8.787 11.173 1.00 0.25 H new ATOM 0 HG23 VAL A 71 -12.730 -7.460 10.069 1.00 0.25 H new ATOM 1160 N ILE A 72 -9.833 -10.644 7.782 1.00 0.25 N ATOM 1161 CA ILE A 72 -9.185 -11.740 7.061 1.00 0.30 C ATOM 1162 C ILE A 72 -7.757 -12.006 7.592 1.00 0.29 C ATOM 1163 O ILE A 72 -7.366 -13.161 7.765 1.00 0.40 O ATOM 1164 CB ILE A 72 -9.178 -11.458 5.523 1.00 0.34 C ATOM 1165 CG1 ILE A 72 -9.788 -12.633 4.739 1.00 0.59 C ATOM 1166 CG2 ILE A 72 -7.785 -11.130 4.996 1.00 0.33 C ATOM 1167 CD1 ILE A 72 -9.068 -13.949 4.935 1.00 1.11 C ATOM 0 H ILE A 72 -9.768 -9.739 7.316 1.00 0.25 H new ATOM 0 HA ILE A 72 -9.765 -12.646 7.237 1.00 0.30 H new ATOM 0 HB ILE A 72 -9.798 -10.575 5.367 1.00 0.34 H new ATOM 0 HG12 ILE A 72 -10.829 -12.753 5.038 1.00 0.59 H new ATOM 0 HG13 ILE A 72 -9.788 -12.386 3.677 1.00 0.59 H new ATOM 0 HG21 ILE A 72 -7.837 -10.943 3.923 1.00 0.33 H new ATOM 0 HG22 ILE A 72 -7.404 -10.242 5.501 1.00 0.33 H new ATOM 0 HG23 ILE A 72 -7.117 -11.970 5.186 1.00 0.33 H new ATOM 0 HD11 ILE A 72 -9.561 -14.724 4.348 1.00 1.11 H new ATOM 0 HD12 ILE A 72 -8.033 -13.850 4.608 1.00 1.11 H new ATOM 0 HD13 ILE A 72 -9.091 -14.223 5.990 1.00 1.11 H new ATOM 1179 N ASP A 73 -6.992 -10.944 7.871 1.00 0.21 N ATOM 1180 CA ASP A 73 -5.595 -11.093 8.321 1.00 0.21 C ATOM 1181 C ASP A 73 -5.255 -10.107 9.433 1.00 0.22 C ATOM 1182 O ASP A 73 -4.238 -10.244 10.114 1.00 0.26 O ATOM 1183 CB ASP A 73 -4.634 -10.851 7.156 1.00 0.23 C ATOM 1184 CG ASP A 73 -3.193 -11.162 7.515 1.00 0.30 C ATOM 1185 OD1 ASP A 73 -2.839 -12.360 7.611 1.00 0.48 O ATOM 1186 OD2 ASP A 73 -2.406 -10.216 7.703 1.00 0.29 O ATOM 0 H ASP A 73 -7.310 -9.978 7.795 1.00 0.21 H new ATOM 0 HA ASP A 73 -5.488 -12.110 8.700 1.00 0.21 H new ATOM 0 HB2 ASP A 73 -4.934 -11.466 6.308 1.00 0.23 H new ATOM 0 HB3 ASP A 73 -4.709 -9.811 6.838 1.00 0.23 H new ATOM 1191 N GLU A 74 -6.124 -9.127 9.604 1.00 0.22 N ATOM 1192 CA GLU A 74 -5.896 -7.985 10.490 1.00 0.35 C ATOM 1193 C GLU A 74 -4.862 -7.034 9.904 1.00 0.43 C ATOM 1194 O GLU A 74 -5.205 -5.983 9.379 1.00 0.98 O ATOM 1195 CB GLU A 74 -5.504 -8.404 11.906 1.00 0.44 C ATOM 1196 CG GLU A 74 -5.553 -7.238 12.873 1.00 0.62 C ATOM 1197 CD GLU A 74 -4.999 -7.570 14.238 1.00 0.80 C ATOM 1198 OE1 GLU A 74 -3.784 -7.820 14.342 1.00 0.92 O ATOM 1199 OE2 GLU A 74 -5.776 -7.566 15.218 1.00 1.00 O ATOM 0 H GLU A 74 -7.025 -9.096 9.126 1.00 0.22 H new ATOM 0 HA GLU A 74 -6.848 -7.460 10.568 1.00 0.35 H new ATOM 0 HB2 GLU A 74 -6.175 -9.191 12.251 1.00 0.44 H new ATOM 0 HB3 GLU A 74 -4.499 -8.825 11.895 1.00 0.44 H new ATOM 0 HG2 GLU A 74 -4.991 -6.403 12.454 1.00 0.62 H new ATOM 0 HG3 GLU A 74 -6.586 -6.906 12.979 1.00 0.62 H new ATOM 1206 N ASN A 75 -3.617 -7.447 9.912 1.00 0.18 N ATOM 1207 CA ASN A 75 -2.512 -6.546 9.636 1.00 0.22 C ATOM 1208 C ASN A 75 -1.791 -6.988 8.392 1.00 0.19 C ATOM 1209 O ASN A 75 -0.578 -7.195 8.390 1.00 0.24 O ATOM 1210 CB ASN A 75 -1.540 -6.473 10.817 1.00 0.31 C ATOM 1211 CG ASN A 75 -1.148 -7.841 11.346 1.00 0.35 C ATOM 1212 OD1 ASN A 75 -0.169 -8.444 10.908 1.00 0.41 O ATOM 1213 ND2 ASN A 75 -1.912 -8.338 12.301 1.00 0.37 N ATOM 0 H ASN A 75 -3.338 -8.408 10.108 1.00 0.18 H new ATOM 0 HA ASN A 75 -2.919 -5.547 9.481 1.00 0.22 H new ATOM 0 HB2 ASN A 75 -0.642 -5.937 10.509 1.00 0.31 H new ATOM 0 HB3 ASN A 75 -1.996 -5.895 11.621 1.00 0.31 H new ATOM 0 HD21 ASN A 75 -1.699 -9.252 12.701 1.00 0.37 H new ATOM 0 HD22 ASN A 75 -2.716 -7.808 12.639 1.00 0.37 H new ATOM 1220 N ILE A 76 -2.558 -7.102 7.327 1.00 0.21 N ATOM 1221 CA ILE A 76 -2.029 -7.449 6.007 1.00 0.23 C ATOM 1222 C ILE A 76 -1.210 -6.272 5.426 1.00 0.21 C ATOM 1223 O ILE A 76 -1.074 -6.103 4.214 1.00 0.27 O ATOM 1224 CB ILE A 76 -3.179 -7.871 5.053 1.00 0.30 C ATOM 1225 CG1 ILE A 76 -2.619 -8.478 3.762 1.00 0.49 C ATOM 1226 CG2 ILE A 76 -4.097 -6.695 4.749 1.00 0.35 C ATOM 1227 CD1 ILE A 76 -1.916 -9.801 3.969 1.00 0.83 C ATOM 0 H ILE A 76 -3.568 -6.958 7.344 1.00 0.21 H new ATOM 0 HA ILE A 76 -1.357 -8.301 6.110 1.00 0.23 H new ATOM 0 HB ILE A 76 -3.772 -8.635 5.557 1.00 0.30 H new ATOM 0 HG12 ILE A 76 -3.435 -8.617 3.052 1.00 0.49 H new ATOM 0 HG13 ILE A 76 -1.921 -7.772 3.312 1.00 0.49 H new ATOM 0 HG21 ILE A 76 -4.893 -7.019 4.079 1.00 0.35 H new ATOM 0 HG22 ILE A 76 -4.532 -6.324 5.677 1.00 0.35 H new ATOM 0 HG23 ILE A 76 -3.524 -5.899 4.273 1.00 0.35 H new ATOM 0 HD11 ILE A 76 -1.546 -10.170 3.012 1.00 0.83 H new ATOM 0 HD12 ILE A 76 -1.079 -9.665 4.654 1.00 0.83 H new ATOM 0 HD13 ILE A 76 -2.616 -10.523 4.390 1.00 0.83 H new ATOM 1239 N ARG A 77 -0.647 -5.480 6.340 1.00 0.20 N ATOM 1240 CA ARG A 77 0.263 -4.388 6.024 1.00 0.19 C ATOM 1241 C ARG A 77 -0.400 -3.335 5.145 1.00 0.16 C ATOM 1242 O ARG A 77 0.087 -3.029 4.059 1.00 0.16 O ATOM 1243 CB ARG A 77 1.517 -4.915 5.327 1.00 0.26 C ATOM 1244 CG ARG A 77 2.208 -6.064 6.041 1.00 0.31 C ATOM 1245 CD ARG A 77 2.894 -5.645 7.328 1.00 0.39 C ATOM 1246 NE ARG A 77 4.066 -6.483 7.585 1.00 0.74 N ATOM 1247 CZ ARG A 77 4.921 -6.299 8.587 1.00 1.32 C ATOM 1248 NH1 ARG A 77 4.742 -5.309 9.453 1.00 1.92 N ATOM 1249 NH2 ARG A 77 5.958 -7.116 8.729 1.00 1.62 N ATOM 0 H ARG A 77 -0.817 -5.585 7.340 1.00 0.20 H new ATOM 0 HA ARG A 77 0.541 -3.921 6.969 1.00 0.19 H new ATOM 0 HB2 ARG A 77 1.248 -5.240 4.322 1.00 0.26 H new ATOM 0 HB3 ARG A 77 2.226 -4.095 5.217 1.00 0.26 H new ATOM 0 HG2 ARG A 77 1.474 -6.838 6.264 1.00 0.31 H new ATOM 0 HG3 ARG A 77 2.945 -6.507 5.372 1.00 0.31 H new ATOM 0 HD2 ARG A 77 3.195 -4.600 7.262 1.00 0.39 H new ATOM 0 HD3 ARG A 77 2.195 -5.723 8.161 1.00 0.39 H new ATOM 0 HE ARG A 77 4.239 -7.263 6.951 1.00 0.74 H new ATOM 0 HH11 ARG A 77 3.944 -4.682 9.353 1.00 1.92 H new ATOM 0 HH12 ARG A 77 5.403 -5.175 10.218 1.00 1.92 H new ATOM 0 HH21 ARG A 77 6.097 -7.882 8.071 1.00 1.62 H new ATOM 0 HH22 ARG A 77 6.615 -6.977 9.497 1.00 1.62 H new ATOM 1263 N VAL A 78 -1.508 -2.782 5.613 1.00 0.17 N ATOM 1264 CA VAL A 78 -2.223 -1.778 4.841 1.00 0.17 C ATOM 1265 C VAL A 78 -1.658 -0.364 5.051 1.00 0.16 C ATOM 1266 O VAL A 78 -1.426 0.077 6.175 1.00 0.23 O ATOM 1267 CB VAL A 78 -3.733 -1.794 5.160 1.00 0.18 C ATOM 1268 CG1 VAL A 78 -4.451 -0.655 4.455 1.00 0.40 C ATOM 1269 CG2 VAL A 78 -4.343 -3.130 4.764 1.00 0.35 C ATOM 0 H VAL A 78 -1.928 -3.008 6.514 1.00 0.17 H new ATOM 0 HA VAL A 78 -2.080 -2.041 3.793 1.00 0.17 H new ATOM 0 HB VAL A 78 -3.854 -1.657 6.235 1.00 0.18 H new ATOM 0 HG11 VAL A 78 -5.513 -0.690 4.697 1.00 0.40 H new ATOM 0 HG12 VAL A 78 -4.035 0.297 4.784 1.00 0.40 H new ATOM 0 HG13 VAL A 78 -4.321 -0.754 3.377 1.00 0.40 H new ATOM 0 HG21 VAL A 78 -5.408 -3.126 4.995 1.00 0.35 H new ATOM 0 HG22 VAL A 78 -4.204 -3.291 3.695 1.00 0.35 H new ATOM 0 HG23 VAL A 78 -3.854 -3.932 5.318 1.00 0.35 H new ATOM 1279 N ILE A 79 -1.408 0.309 3.940 1.00 0.13 N ATOM 1280 CA ILE A 79 -1.053 1.714 3.933 1.00 0.14 C ATOM 1281 C ILE A 79 -2.116 2.493 3.168 1.00 0.12 C ATOM 1282 O ILE A 79 -2.279 2.320 1.964 1.00 0.18 O ATOM 1283 CB ILE A 79 0.335 1.979 3.295 1.00 0.19 C ATOM 1284 CG1 ILE A 79 1.470 1.421 4.158 1.00 0.27 C ATOM 1285 CG2 ILE A 79 0.546 3.465 3.053 1.00 0.24 C ATOM 1286 CD1 ILE A 79 1.671 -0.070 4.016 1.00 0.45 C ATOM 0 H ILE A 79 -1.447 -0.110 3.011 1.00 0.13 H new ATOM 0 HA ILE A 79 -0.999 2.042 4.971 1.00 0.14 H new ATOM 0 HB ILE A 79 0.353 1.460 2.337 1.00 0.19 H new ATOM 0 HG12 ILE A 79 2.397 1.929 3.894 1.00 0.27 H new ATOM 0 HG13 ILE A 79 1.266 1.652 5.203 1.00 0.27 H new ATOM 0 HG21 ILE A 79 1.527 3.625 2.605 1.00 0.24 H new ATOM 0 HG22 ILE A 79 -0.226 3.837 2.379 1.00 0.24 H new ATOM 0 HG23 ILE A 79 0.489 4.000 4.001 1.00 0.24 H new ATOM 0 HD11 ILE A 79 2.492 -0.389 4.658 1.00 0.45 H new ATOM 0 HD12 ILE A 79 0.759 -0.590 4.308 1.00 0.45 H new ATOM 0 HD13 ILE A 79 1.908 -0.308 2.979 1.00 0.45 H new ATOM 1298 N ILE A 80 -2.859 3.325 3.867 1.00 0.13 N ATOM 1299 CA ILE A 80 -3.933 4.081 3.243 1.00 0.15 C ATOM 1300 C ILE A 80 -3.501 5.510 2.937 1.00 0.16 C ATOM 1301 O ILE A 80 -2.972 6.209 3.797 1.00 0.17 O ATOM 1302 CB ILE A 80 -5.207 4.065 4.110 1.00 0.16 C ATOM 1303 CG1 ILE A 80 -6.105 5.277 3.814 1.00 0.18 C ATOM 1304 CG2 ILE A 80 -4.848 3.987 5.591 1.00 0.17 C ATOM 1305 CD1 ILE A 80 -7.289 5.383 4.742 1.00 0.22 C ATOM 0 H ILE A 80 -2.742 3.497 4.866 1.00 0.13 H new ATOM 0 HA ILE A 80 -4.167 3.593 2.297 1.00 0.15 H new ATOM 0 HB ILE A 80 -5.777 3.172 3.853 1.00 0.16 H new ATOM 0 HG12 ILE A 80 -5.511 6.188 3.889 1.00 0.18 H new ATOM 0 HG13 ILE A 80 -6.462 5.213 2.786 1.00 0.18 H new ATOM 0 HG21 ILE A 80 -5.761 3.977 6.187 1.00 0.17 H new ATOM 0 HG22 ILE A 80 -4.281 3.076 5.780 1.00 0.17 H new ATOM 0 HG23 ILE A 80 -4.245 4.853 5.865 1.00 0.17 H new ATOM 0 HD11 ILE A 80 -7.881 6.260 4.478 1.00 0.22 H new ATOM 0 HD12 ILE A 80 -7.905 4.488 4.650 1.00 0.22 H new ATOM 0 HD13 ILE A 80 -6.938 5.478 5.770 1.00 0.22 H new ATOM 1317 N MET A 81 -3.728 5.934 1.704 1.00 0.21 N ATOM 1318 CA MET A 81 -3.292 7.244 1.256 1.00 0.23 C ATOM 1319 C MET A 81 -4.433 8.251 1.354 1.00 0.20 C ATOM 1320 O MET A 81 -5.599 7.904 1.177 1.00 0.23 O ATOM 1321 CB MET A 81 -2.765 7.166 -0.177 1.00 0.32 C ATOM 1322 CG MET A 81 -1.682 6.114 -0.368 1.00 0.38 C ATOM 1323 SD MET A 81 -0.781 6.298 -1.918 1.00 0.63 S ATOM 1324 CE MET A 81 -2.106 6.163 -3.117 1.00 1.09 C ATOM 0 H MET A 81 -4.214 5.386 0.994 1.00 0.21 H new ATOM 0 HA MET A 81 -2.483 7.581 1.905 1.00 0.23 H new ATOM 0 HB2 MET A 81 -3.595 6.948 -0.850 1.00 0.32 H new ATOM 0 HB3 MET A 81 -2.369 8.140 -0.464 1.00 0.32 H new ATOM 0 HG2 MET A 81 -0.979 6.171 0.463 1.00 0.38 H new ATOM 0 HG3 MET A 81 -2.136 5.124 -0.334 1.00 0.38 H new ATOM 0 HE1 MET A 81 -1.703 6.294 -4.121 1.00 1.09 H new ATOM 0 HE2 MET A 81 -2.570 5.180 -3.037 1.00 1.09 H new ATOM 0 HE3 MET A 81 -2.852 6.933 -2.923 1.00 1.09 H new ATOM 1334 N THR A 82 -4.086 9.487 1.686 1.00 0.20 N ATOM 1335 CA THR A 82 -5.063 10.556 1.852 1.00 0.20 C ATOM 1336 C THR A 82 -4.634 11.803 1.076 1.00 0.19 C ATOM 1337 O THR A 82 -3.566 11.820 0.490 1.00 0.20 O ATOM 1338 CB THR A 82 -5.211 10.904 3.341 1.00 0.29 C ATOM 1339 OG1 THR A 82 -4.010 11.519 3.825 1.00 0.82 O ATOM 1340 CG2 THR A 82 -5.509 9.665 4.171 1.00 0.53 C ATOM 0 H THR A 82 -3.122 9.777 1.848 1.00 0.20 H new ATOM 0 HA THR A 82 -6.020 10.211 1.462 1.00 0.20 H new ATOM 0 HB THR A 82 -6.047 11.597 3.438 1.00 0.29 H new ATOM 0 HG1 THR A 82 -3.249 10.924 3.662 1.00 0.82 H new ATOM 0 HG21 THR A 82 -5.608 9.945 5.220 1.00 0.53 H new ATOM 0 HG22 THR A 82 -6.439 9.212 3.827 1.00 0.53 H new ATOM 0 HG23 THR A 82 -4.694 8.949 4.062 1.00 0.53 H new ATOM 1348 N ALA A 83 -5.445 12.856 1.086 1.00 0.25 N ATOM 1349 CA ALA A 83 -5.093 14.103 0.392 1.00 0.25 C ATOM 1350 C ALA A 83 -4.076 14.921 1.193 1.00 0.28 C ATOM 1351 O ALA A 83 -4.172 16.141 1.252 1.00 0.55 O ATOM 1352 CB ALA A 83 -6.341 14.939 0.141 1.00 0.31 C ATOM 0 H ALA A 83 -6.347 12.877 1.562 1.00 0.25 H new ATOM 0 HA ALA A 83 -4.640 13.833 -0.562 1.00 0.25 H new ATOM 0 HB1 ALA A 83 -6.065 15.859 -0.374 1.00 0.31 H new ATOM 0 HB2 ALA A 83 -7.040 14.374 -0.476 1.00 0.31 H new ATOM 0 HB3 ALA A 83 -6.813 15.183 1.093 1.00 0.31 H new ATOM 1358 N TYR A 84 -3.084 14.226 1.752 1.00 0.45 N ATOM 1359 CA TYR A 84 -2.101 14.808 2.670 1.00 0.45 C ATOM 1360 C TYR A 84 -2.760 15.782 3.647 1.00 0.61 C ATOM 1361 O TYR A 84 -2.775 16.995 3.431 1.00 1.31 O ATOM 1362 CB TYR A 84 -0.973 15.508 1.913 1.00 0.47 C ATOM 1363 CG TYR A 84 0.231 15.812 2.779 1.00 0.94 C ATOM 1364 CD1 TYR A 84 1.199 14.845 3.013 1.00 1.82 C ATOM 1365 CD2 TYR A 84 0.392 17.059 3.370 1.00 0.98 C ATOM 1366 CE1 TYR A 84 2.297 15.112 3.809 1.00 2.58 C ATOM 1367 CE2 TYR A 84 1.485 17.332 4.168 1.00 1.61 C ATOM 1368 CZ TYR A 84 2.433 16.356 4.386 1.00 2.42 C ATOM 1369 OH TYR A 84 3.524 16.625 5.181 1.00 3.19 O ATOM 0 H TYR A 84 -2.938 13.231 1.579 1.00 0.45 H new ATOM 0 HA TYR A 84 -1.672 13.984 3.240 1.00 0.45 H new ATOM 0 HB2 TYR A 84 -0.662 14.881 1.077 1.00 0.47 H new ATOM 0 HB3 TYR A 84 -1.352 16.438 1.490 1.00 0.47 H new ATOM 0 HD1 TYR A 84 1.092 13.868 2.566 1.00 1.82 H new ATOM 0 HD2 TYR A 84 -0.349 17.826 3.203 1.00 0.98 H new ATOM 0 HE1 TYR A 84 3.044 14.350 3.978 1.00 2.58 H new ATOM 0 HE2 TYR A 84 1.597 18.307 4.620 1.00 1.61 H new ATOM 0 HH TYR A 84 3.470 17.547 5.509 1.00 3.19 H new ATOM 1379 N GLY A 85 -3.323 15.242 4.706 1.00 0.56 N ATOM 1380 CA GLY A 85 -4.029 16.067 5.667 1.00 0.62 C ATOM 1381 C GLY A 85 -5.523 15.833 5.621 1.00 0.62 C ATOM 1382 O GLY A 85 -6.279 16.442 6.377 1.00 0.75 O ATOM 0 H GLY A 85 -3.308 14.246 4.924 1.00 0.56 H new ATOM 0 HA2 GLY A 85 -3.659 15.854 6.670 1.00 0.62 H new ATOM 0 HA3 GLY A 85 -3.820 17.118 5.467 1.00 0.62 H new ATOM 1386 N GLU A 86 -5.945 14.966 4.712 1.00 0.51 N ATOM 1387 CA GLU A 86 -7.336 14.538 4.642 1.00 0.53 C ATOM 1388 C GLU A 86 -7.663 13.666 5.854 1.00 0.51 C ATOM 1389 O GLU A 86 -8.262 14.132 6.822 1.00 0.59 O ATOM 1390 CB GLU A 86 -7.570 13.762 3.344 1.00 0.51 C ATOM 1391 CG GLU A 86 -8.961 13.168 3.194 1.00 0.59 C ATOM 1392 CD GLU A 86 -9.999 14.195 2.808 1.00 0.62 C ATOM 1393 OE1 GLU A 86 -10.041 14.589 1.632 1.00 1.12 O ATOM 1394 OE2 GLU A 86 -10.766 14.624 3.696 1.00 0.95 O ATOM 0 H GLU A 86 -5.340 14.542 4.008 1.00 0.51 H new ATOM 0 HA GLU A 86 -7.990 15.410 4.650 1.00 0.53 H new ATOM 0 HB2 GLU A 86 -7.382 14.428 2.501 1.00 0.51 H new ATOM 0 HB3 GLU A 86 -6.838 12.956 3.283 1.00 0.51 H new ATOM 0 HG2 GLU A 86 -8.936 12.382 2.439 1.00 0.59 H new ATOM 0 HG3 GLU A 86 -9.253 12.698 4.133 1.00 0.59 H new ATOM 1401 N LEU A 87 -7.233 12.404 5.793 1.00 0.42 N ATOM 1402 CA LEU A 87 -7.371 11.460 6.903 1.00 0.42 C ATOM 1403 C LEU A 87 -8.804 11.395 7.433 1.00 0.49 C ATOM 1404 O LEU A 87 -9.022 11.210 8.629 1.00 0.63 O ATOM 1405 CB LEU A 87 -6.405 11.822 8.043 1.00 0.45 C ATOM 1406 CG LEU A 87 -4.914 11.605 7.747 1.00 0.45 C ATOM 1407 CD1 LEU A 87 -4.355 12.707 6.865 1.00 0.47 C ATOM 1408 CD2 LEU A 87 -4.124 11.507 9.042 1.00 0.52 C ATOM 0 H LEU A 87 -6.778 12.007 4.971 1.00 0.42 H new ATOM 0 HA LEU A 87 -7.118 10.473 6.515 1.00 0.42 H new ATOM 0 HB2 LEU A 87 -6.556 12.870 8.303 1.00 0.45 H new ATOM 0 HB3 LEU A 87 -6.672 11.234 8.921 1.00 0.45 H new ATOM 0 HG LEU A 87 -4.817 10.665 7.204 1.00 0.45 H new ATOM 0 HD11 LEU A 87 -3.298 12.521 6.676 1.00 0.47 H new ATOM 0 HD12 LEU A 87 -4.895 12.725 5.918 1.00 0.47 H new ATOM 0 HD13 LEU A 87 -4.470 13.668 7.366 1.00 0.47 H new ATOM 0 HD21 LEU A 87 -3.069 11.353 8.814 1.00 0.52 H new ATOM 0 HD22 LEU A 87 -4.242 12.429 9.611 1.00 0.52 H new ATOM 0 HD23 LEU A 87 -4.494 10.668 9.631 1.00 0.52 H new ATOM 1420 N ASP A 88 -9.769 11.504 6.525 1.00 0.60 N ATOM 1421 CA ASP A 88 -11.189 11.521 6.886 1.00 0.71 C ATOM 1422 C ASP A 88 -11.582 10.288 7.699 1.00 0.77 C ATOM 1423 O ASP A 88 -12.070 10.401 8.823 1.00 1.71 O ATOM 1424 CB ASP A 88 -12.051 11.608 5.625 1.00 0.91 C ATOM 1425 CG ASP A 88 -13.538 11.589 5.922 1.00 1.10 C ATOM 1426 OD1 ASP A 88 -14.105 10.487 6.084 1.00 1.52 O ATOM 1427 OD2 ASP A 88 -14.144 12.674 6.011 1.00 1.18 O ATOM 0 H ASP A 88 -9.594 11.583 5.523 1.00 0.60 H new ATOM 0 HA ASP A 88 -11.360 12.400 7.508 1.00 0.71 H new ATOM 0 HB2 ASP A 88 -11.805 12.523 5.086 1.00 0.91 H new ATOM 0 HB3 ASP A 88 -11.807 10.775 4.966 1.00 0.91 H new ATOM 1432 N MET A 89 -11.352 9.113 7.131 1.00 0.63 N ATOM 1433 CA MET A 89 -11.700 7.857 7.789 1.00 0.55 C ATOM 1434 C MET A 89 -10.422 7.081 8.116 1.00 0.45 C ATOM 1435 O MET A 89 -10.406 5.847 8.250 1.00 0.47 O ATOM 1436 CB MET A 89 -12.618 7.047 6.880 1.00 0.73 C ATOM 1437 CG MET A 89 -13.621 6.217 7.649 1.00 0.82 C ATOM 1438 SD MET A 89 -14.706 5.258 6.575 1.00 1.55 S ATOM 1439 CE MET A 89 -15.729 4.434 7.791 1.00 2.18 C ATOM 0 H MET A 89 -10.924 9.001 6.212 1.00 0.63 H new ATOM 0 HA MET A 89 -12.228 8.056 8.722 1.00 0.55 H new ATOM 0 HB2 MET A 89 -13.150 7.724 6.212 1.00 0.73 H new ATOM 0 HB3 MET A 89 -12.014 6.390 6.254 1.00 0.73 H new ATOM 0 HG2 MET A 89 -13.089 5.540 8.318 1.00 0.82 H new ATOM 0 HG3 MET A 89 -14.225 6.874 8.275 1.00 0.82 H new ATOM 0 HE1 MET A 89 -16.456 3.799 7.285 1.00 2.18 H new ATOM 0 HE2 MET A 89 -15.102 3.822 8.439 1.00 2.18 H new ATOM 0 HE3 MET A 89 -16.253 5.179 8.390 1.00 2.18 H new ATOM 1449 N ILE A 90 -9.357 7.847 8.281 1.00 0.37 N ATOM 1450 CA ILE A 90 -8.023 7.310 8.469 1.00 0.31 C ATOM 1451 C ILE A 90 -7.890 6.520 9.761 1.00 0.27 C ATOM 1452 O ILE A 90 -7.270 5.462 9.782 1.00 0.27 O ATOM 1453 CB ILE A 90 -6.982 8.457 8.444 1.00 0.31 C ATOM 1454 CG1 ILE A 90 -6.119 8.338 7.200 1.00 0.38 C ATOM 1455 CG2 ILE A 90 -6.115 8.492 9.703 1.00 0.29 C ATOM 1456 CD1 ILE A 90 -5.380 7.026 7.104 1.00 0.42 C ATOM 0 H ILE A 90 -9.396 8.866 8.288 1.00 0.37 H new ATOM 0 HA ILE A 90 -7.836 6.620 7.647 1.00 0.31 H new ATOM 0 HB ILE A 90 -7.530 9.399 8.420 1.00 0.31 H new ATOM 0 HG12 ILE A 90 -6.748 8.457 6.318 1.00 0.38 H new ATOM 0 HG13 ILE A 90 -5.397 9.154 7.189 1.00 0.38 H new ATOM 0 HG21 ILE A 90 -5.403 9.315 9.632 1.00 0.29 H new ATOM 0 HG22 ILE A 90 -6.749 8.635 10.578 1.00 0.29 H new ATOM 0 HG23 ILE A 90 -5.573 7.551 9.798 1.00 0.29 H new ATOM 0 HD11 ILE A 90 -4.784 7.010 6.192 1.00 0.42 H new ATOM 0 HD12 ILE A 90 -4.725 6.914 7.968 1.00 0.42 H new ATOM 0 HD13 ILE A 90 -6.097 6.205 7.083 1.00 0.42 H new ATOM 1468 N GLN A 91 -8.486 7.029 10.823 1.00 0.29 N ATOM 1469 CA GLN A 91 -8.229 6.504 12.156 1.00 0.31 C ATOM 1470 C GLN A 91 -8.699 5.068 12.298 1.00 0.31 C ATOM 1471 O GLN A 91 -7.959 4.219 12.798 1.00 0.32 O ATOM 1472 CB GLN A 91 -8.859 7.406 13.205 1.00 0.39 C ATOM 1473 CG GLN A 91 -8.119 8.724 13.347 1.00 0.45 C ATOM 1474 CD GLN A 91 -6.688 8.528 13.812 1.00 1.35 C ATOM 1475 OE1 GLN A 91 -6.377 7.573 14.526 1.00 2.14 O ATOM 1476 NE2 GLN A 91 -5.805 9.429 13.418 1.00 2.10 N ATOM 0 H GLN A 91 -9.150 7.803 10.792 1.00 0.29 H new ATOM 0 HA GLN A 91 -7.151 6.495 12.314 1.00 0.31 H new ATOM 0 HB2 GLN A 91 -9.897 7.601 12.937 1.00 0.39 H new ATOM 0 HB3 GLN A 91 -8.869 6.891 14.166 1.00 0.39 H new ATOM 0 HG2 GLN A 91 -8.120 9.245 12.390 1.00 0.45 H new ATOM 0 HG3 GLN A 91 -8.647 9.361 14.057 1.00 0.45 H new ATOM 0 HE21 GLN A 91 -6.099 10.207 12.827 1.00 2.10 H new ATOM 0 HE22 GLN A 91 -4.830 9.347 13.705 1.00 2.10 H new ATOM 1485 N GLU A 92 -9.911 4.794 11.846 1.00 0.38 N ATOM 1486 CA GLU A 92 -10.410 3.431 11.818 1.00 0.42 C ATOM 1487 C GLU A 92 -9.564 2.584 10.887 1.00 0.34 C ATOM 1488 O GLU A 92 -9.153 1.487 11.245 1.00 0.33 O ATOM 1489 CB GLU A 92 -11.876 3.361 11.390 1.00 0.55 C ATOM 1490 CG GLU A 92 -12.288 4.362 10.318 1.00 0.64 C ATOM 1491 CD GLU A 92 -12.636 5.728 10.875 1.00 1.21 C ATOM 1492 OE1 GLU A 92 -11.709 6.537 11.091 1.00 1.52 O ATOM 1493 OE2 GLU A 92 -13.831 5.991 11.117 1.00 1.73 O ATOM 0 H GLU A 92 -10.565 5.494 11.495 1.00 0.38 H new ATOM 0 HA GLU A 92 -10.343 3.042 12.834 1.00 0.42 H new ATOM 0 HB2 GLU A 92 -12.083 2.355 11.024 1.00 0.55 H new ATOM 0 HB3 GLU A 92 -12.502 3.516 12.269 1.00 0.55 H new ATOM 0 HG2 GLU A 92 -11.477 4.467 9.598 1.00 0.64 H new ATOM 0 HG3 GLU A 92 -13.147 3.969 9.775 1.00 0.64 H new ATOM 1500 N SER A 93 -9.295 3.105 9.696 1.00 0.32 N ATOM 1501 CA SER A 93 -8.487 2.383 8.723 1.00 0.27 C ATOM 1502 C SER A 93 -7.128 1.959 9.302 1.00 0.21 C ATOM 1503 O SER A 93 -6.739 0.800 9.176 1.00 0.22 O ATOM 1504 CB SER A 93 -8.294 3.220 7.464 1.00 0.33 C ATOM 1505 OG SER A 93 -7.647 2.475 6.446 1.00 0.98 O ATOM 0 H SER A 93 -9.622 4.019 9.383 1.00 0.32 H new ATOM 0 HA SER A 93 -9.027 1.472 8.464 1.00 0.27 H new ATOM 0 HB2 SER A 93 -9.262 3.568 7.104 1.00 0.33 H new ATOM 0 HB3 SER A 93 -7.705 4.106 7.700 1.00 0.33 H new ATOM 0 HG SER A 93 -8.152 2.556 5.610 1.00 0.98 H new ATOM 1511 N LYS A 94 -6.418 2.885 9.953 1.00 0.21 N ATOM 1512 CA LYS A 94 -5.084 2.582 10.481 1.00 0.21 C ATOM 1513 C LYS A 94 -5.143 1.698 11.724 1.00 0.25 C ATOM 1514 O LYS A 94 -4.225 0.921 11.973 1.00 0.31 O ATOM 1515 CB LYS A 94 -4.284 3.854 10.789 1.00 0.23 C ATOM 1516 CG LYS A 94 -5.008 4.834 11.687 1.00 0.30 C ATOM 1517 CD LYS A 94 -4.095 5.959 12.150 1.00 0.43 C ATOM 1518 CE LYS A 94 -3.117 5.475 13.206 1.00 0.65 C ATOM 1519 NZ LYS A 94 -2.112 6.513 13.560 1.00 1.25 N ATOM 0 H LYS A 94 -6.738 3.838 10.126 1.00 0.21 H new ATOM 0 HA LYS A 94 -4.570 2.032 9.692 1.00 0.21 H new ATOM 0 HB2 LYS A 94 -3.342 3.573 11.260 1.00 0.23 H new ATOM 0 HB3 LYS A 94 -4.036 4.351 9.851 1.00 0.23 H new ATOM 0 HG2 LYS A 94 -5.860 5.254 11.153 1.00 0.30 H new ATOM 0 HG3 LYS A 94 -5.404 4.307 12.555 1.00 0.30 H new ATOM 0 HD2 LYS A 94 -3.545 6.359 11.298 1.00 0.43 H new ATOM 0 HD3 LYS A 94 -4.695 6.775 12.553 1.00 0.43 H new ATOM 0 HE2 LYS A 94 -3.666 5.184 14.101 1.00 0.65 H new ATOM 0 HE3 LYS A 94 -2.604 4.584 12.843 1.00 0.65 H new ATOM 0 HZ1 LYS A 94 -1.466 6.138 14.284 1.00 1.25 H new ATOM 0 HZ2 LYS A 94 -1.569 6.773 12.712 1.00 1.25 H new ATOM 0 HZ3 LYS A 94 -2.598 7.354 13.932 1.00 1.25 H new ATOM 1533 N GLU A 95 -6.208 1.806 12.516 1.00 0.30 N ATOM 1534 CA GLU A 95 -6.324 0.963 13.700 1.00 0.44 C ATOM 1535 C GLU A 95 -6.863 -0.414 13.325 1.00 0.51 C ATOM 1536 O GLU A 95 -6.837 -1.347 14.126 1.00 0.66 O ATOM 1537 CB GLU A 95 -7.208 1.601 14.776 1.00 0.49 C ATOM 1538 CG GLU A 95 -8.673 1.738 14.394 1.00 0.44 C ATOM 1539 CD GLU A 95 -9.554 2.033 15.588 1.00 0.59 C ATOM 1540 OE1 GLU A 95 -9.969 1.081 16.275 1.00 0.67 O ATOM 1541 OE2 GLU A 95 -9.850 3.223 15.833 1.00 0.85 O ATOM 0 H GLU A 95 -6.983 2.451 12.365 1.00 0.30 H new ATOM 0 HA GLU A 95 -5.323 0.855 14.118 1.00 0.44 H new ATOM 0 HB2 GLU A 95 -7.138 1.004 15.686 1.00 0.49 H new ATOM 0 HB3 GLU A 95 -6.814 2.590 15.012 1.00 0.49 H new ATOM 0 HG2 GLU A 95 -8.781 2.536 13.660 1.00 0.44 H new ATOM 0 HG3 GLU A 95 -9.009 0.818 13.916 1.00 0.44 H new ATOM 1548 N LEU A 96 -7.346 -0.532 12.098 1.00 0.51 N ATOM 1549 CA LEU A 96 -7.885 -1.782 11.597 1.00 0.64 C ATOM 1550 C LEU A 96 -6.806 -2.605 10.903 1.00 0.93 C ATOM 1551 O LEU A 96 -6.883 -2.879 9.707 1.00 1.73 O ATOM 1552 CB LEU A 96 -9.054 -1.503 10.650 1.00 0.53 C ATOM 1553 CG LEU A 96 -10.455 -1.729 11.238 1.00 0.41 C ATOM 1554 CD1 LEU A 96 -10.476 -1.448 12.732 1.00 0.40 C ATOM 1555 CD2 LEU A 96 -11.475 -0.847 10.536 1.00 0.40 C ATOM 0 H LEU A 96 -7.374 0.234 11.425 1.00 0.51 H new ATOM 0 HA LEU A 96 -8.251 -2.366 12.442 1.00 0.64 H new ATOM 0 HB2 LEU A 96 -8.985 -0.469 10.311 1.00 0.53 H new ATOM 0 HB3 LEU A 96 -8.943 -2.135 9.769 1.00 0.53 H new ATOM 0 HG LEU A 96 -10.716 -2.775 11.080 1.00 0.41 H new ATOM 0 HD11 LEU A 96 -11.481 -1.617 13.120 1.00 0.40 H new ATOM 0 HD12 LEU A 96 -9.776 -2.113 13.237 1.00 0.40 H new ATOM 0 HD13 LEU A 96 -10.187 -0.413 12.912 1.00 0.40 H new ATOM 0 HD21 LEU A 96 -12.462 -1.020 10.965 1.00 0.40 H new ATOM 0 HD22 LEU A 96 -11.201 0.200 10.666 1.00 0.40 H new ATOM 0 HD23 LEU A 96 -11.494 -1.088 9.473 1.00 0.40 H new ATOM 1567 N GLY A 97 -5.785 -2.969 11.667 1.00 0.54 N ATOM 1568 CA GLY A 97 -4.746 -3.854 11.179 1.00 0.69 C ATOM 1569 C GLY A 97 -3.707 -3.175 10.300 1.00 0.61 C ATOM 1570 O GLY A 97 -2.546 -3.587 10.273 1.00 0.88 O ATOM 0 H GLY A 97 -5.657 -2.661 12.631 1.00 0.54 H new ATOM 0 HA2 GLY A 97 -4.242 -4.309 12.032 1.00 0.69 H new ATOM 0 HA3 GLY A 97 -5.210 -4.663 10.614 1.00 0.69 H new ATOM 1574 N ALA A 98 -4.133 -2.161 9.566 1.00 0.32 N ATOM 1575 CA ALA A 98 -3.268 -1.436 8.645 1.00 0.27 C ATOM 1576 C ALA A 98 -1.956 -0.994 9.290 1.00 0.19 C ATOM 1577 O ALA A 98 -1.909 -0.657 10.475 1.00 0.22 O ATOM 1578 CB ALA A 98 -4.002 -0.228 8.086 1.00 0.26 C ATOM 0 H ALA A 98 -5.092 -1.815 9.591 1.00 0.32 H new ATOM 0 HA ALA A 98 -3.013 -2.124 7.839 1.00 0.27 H new ATOM 0 HB1 ALA A 98 -3.348 0.309 7.398 1.00 0.26 H new ATOM 0 HB2 ALA A 98 -4.895 -0.558 7.555 1.00 0.26 H new ATOM 0 HB3 ALA A 98 -4.290 0.433 8.903 1.00 0.26 H new ATOM 1584 N LEU A 99 -0.892 -1.017 8.496 1.00 0.18 N ATOM 1585 CA LEU A 99 0.403 -0.520 8.938 1.00 0.23 C ATOM 1586 C LEU A 99 0.328 0.968 9.247 1.00 0.26 C ATOM 1587 O LEU A 99 0.609 1.389 10.370 1.00 0.39 O ATOM 1588 CB LEU A 99 1.500 -0.748 7.886 1.00 0.51 C ATOM 1589 CG LEU A 99 1.892 -2.186 7.617 1.00 0.60 C ATOM 1590 CD1 LEU A 99 3.101 -2.210 6.690 1.00 1.27 C ATOM 1591 CD2 LEU A 99 2.196 -2.905 8.919 1.00 1.26 C ATOM 0 H LEU A 99 -0.902 -1.375 7.541 1.00 0.18 H new ATOM 0 HA LEU A 99 0.661 -1.079 9.837 1.00 0.23 H new ATOM 0 HB2 LEU A 99 1.170 -0.303 6.947 1.00 0.51 H new ATOM 0 HB3 LEU A 99 2.391 -0.205 8.200 1.00 0.51 H new ATOM 0 HG LEU A 99 1.063 -2.705 7.136 1.00 0.60 H new ATOM 0 HD11 LEU A 99 3.388 -3.243 6.493 1.00 1.27 H new ATOM 0 HD12 LEU A 99 2.849 -1.718 5.751 1.00 1.27 H new ATOM 0 HD13 LEU A 99 3.932 -1.687 7.162 1.00 1.27 H new ATOM 0 HD21 LEU A 99 2.476 -3.937 8.708 1.00 1.26 H new ATOM 0 HD22 LEU A 99 3.018 -2.403 9.428 1.00 1.26 H new ATOM 0 HD23 LEU A 99 1.312 -2.892 9.557 1.00 1.26 H new ATOM 1603 N THR A 100 -0.062 1.769 8.258 1.00 0.23 N ATOM 1604 CA THR A 100 -0.006 3.216 8.426 1.00 0.28 C ATOM 1605 C THR A 100 -0.713 3.951 7.286 1.00 0.24 C ATOM 1606 O THR A 100 -1.422 3.345 6.482 1.00 0.25 O ATOM 1607 CB THR A 100 1.466 3.691 8.535 1.00 0.36 C ATOM 1608 OG1 THR A 100 1.530 5.061 8.964 1.00 0.42 O ATOM 1609 CG2 THR A 100 2.199 3.535 7.206 1.00 0.34 C ATOM 0 H THR A 100 -0.412 1.450 7.354 1.00 0.23 H new ATOM 0 HA THR A 100 -0.531 3.457 9.350 1.00 0.28 H new ATOM 0 HB THR A 100 1.956 3.062 9.278 1.00 0.36 H new ATOM 0 HG1 THR A 100 2.467 5.340 9.028 1.00 0.42 H new ATOM 0 HG21 THR A 100 3.228 3.877 7.316 1.00 0.34 H new ATOM 0 HG22 THR A 100 2.195 2.486 6.909 1.00 0.34 H new ATOM 0 HG23 THR A 100 1.699 4.130 6.442 1.00 0.34 H new ATOM 1617 N HIS A 101 -0.522 5.264 7.237 1.00 0.29 N ATOM 1618 CA HIS A 101 -1.154 6.102 6.232 1.00 0.28 C ATOM 1619 C HIS A 101 -0.128 6.861 5.400 1.00 0.27 C ATOM 1620 O HIS A 101 1.004 7.096 5.827 1.00 0.35 O ATOM 1621 CB HIS A 101 -2.124 7.098 6.876 1.00 0.32 C ATOM 1622 CG HIS A 101 -1.506 8.013 7.895 1.00 0.42 C ATOM 1623 ND1 HIS A 101 -0.821 9.169 7.573 1.00 1.12 N ATOM 1624 CD2 HIS A 101 -1.491 7.939 9.245 1.00 1.14 C ATOM 1625 CE1 HIS A 101 -0.418 9.761 8.682 1.00 0.93 C ATOM 1626 NE2 HIS A 101 -0.811 9.033 9.705 1.00 0.92 N ATOM 0 H HIS A 101 0.073 5.773 7.891 1.00 0.29 H new ATOM 0 HA HIS A 101 -1.709 5.435 5.572 1.00 0.28 H new ATOM 0 HB2 HIS A 101 -2.574 7.704 6.090 1.00 0.32 H new ATOM 0 HB3 HIS A 101 -2.932 6.541 7.351 1.00 0.32 H new ATOM 0 HD2 HIS A 101 -1.934 7.160 9.848 1.00 1.14 H new ATOM 0 HE1 HIS A 101 0.139 10.685 8.740 1.00 0.93 H new ATOM 0 HE2 HIS A 101 -0.636 9.250 10.686 1.00 0.92 H new ATOM 1635 N PHE A 102 -0.552 7.247 4.211 1.00 0.25 N ATOM 1636 CA PHE A 102 0.254 8.040 3.302 1.00 0.24 C ATOM 1637 C PHE A 102 -0.631 9.100 2.664 1.00 0.20 C ATOM 1638 O PHE A 102 -1.673 9.469 3.213 1.00 0.21 O ATOM 1639 CB PHE A 102 0.871 7.148 2.230 1.00 0.30 C ATOM 1640 CG PHE A 102 2.303 7.485 1.948 1.00 0.54 C ATOM 1641 CD1 PHE A 102 2.634 8.437 1.002 1.00 0.99 C ATOM 1642 CD2 PHE A 102 3.318 6.855 2.642 1.00 0.85 C ATOM 1643 CE1 PHE A 102 3.952 8.752 0.750 1.00 1.33 C ATOM 1644 CE2 PHE A 102 4.638 7.166 2.395 1.00 1.13 C ATOM 1645 CZ PHE A 102 4.956 8.116 1.447 1.00 1.29 C ATOM 0 H PHE A 102 -1.476 7.016 3.845 1.00 0.25 H new ATOM 0 HA PHE A 102 1.064 8.521 3.850 1.00 0.24 H new ATOM 0 HB2 PHE A 102 0.803 6.107 2.547 1.00 0.30 H new ATOM 0 HB3 PHE A 102 0.293 7.240 1.310 1.00 0.30 H new ATOM 0 HD1 PHE A 102 1.851 8.940 0.454 1.00 0.99 H new ATOM 0 HD2 PHE A 102 3.075 6.111 3.386 1.00 0.85 H new ATOM 0 HE1 PHE A 102 4.197 9.496 0.007 1.00 1.33 H new ATOM 0 HE2 PHE A 102 5.423 6.666 2.943 1.00 1.13 H new ATOM 0 HZ PHE A 102 5.990 8.361 1.251 1.00 1.29 H new ATOM 1655 N ALA A 103 -0.229 9.575 1.508 1.00 0.22 N ATOM 1656 CA ALA A 103 -0.982 10.588 0.804 1.00 0.23 C ATOM 1657 C ALA A 103 -1.052 10.254 -0.673 1.00 0.31 C ATOM 1658 O ALA A 103 -0.130 9.678 -1.216 1.00 0.47 O ATOM 1659 CB ALA A 103 -0.351 11.957 1.017 1.00 0.34 C ATOM 0 H ALA A 103 0.621 9.274 1.032 1.00 0.22 H new ATOM 0 HA ALA A 103 -1.997 10.613 1.200 1.00 0.23 H new ATOM 0 HB1 ALA A 103 -0.928 12.711 0.481 1.00 0.34 H new ATOM 0 HB2 ALA A 103 -0.345 12.193 2.081 1.00 0.34 H new ATOM 0 HB3 ALA A 103 0.672 11.948 0.641 1.00 0.34 H new ATOM 1665 N LYS A 104 -2.169 10.579 -1.298 1.00 0.26 N ATOM 1666 CA LYS A 104 -2.286 10.539 -2.748 1.00 0.33 C ATOM 1667 C LYS A 104 -1.296 11.545 -3.371 1.00 0.40 C ATOM 1668 O LYS A 104 -0.704 11.273 -4.412 1.00 0.51 O ATOM 1669 CB LYS A 104 -3.741 10.829 -3.153 1.00 0.32 C ATOM 1670 CG LYS A 104 -4.088 10.558 -4.610 1.00 0.53 C ATOM 1671 CD LYS A 104 -3.572 11.638 -5.541 1.00 0.93 C ATOM 1672 CE LYS A 104 -4.064 11.419 -6.959 1.00 1.15 C ATOM 1673 NZ LYS A 104 -3.572 12.476 -7.878 1.00 2.18 N ATOM 0 H LYS A 104 -3.019 10.877 -0.819 1.00 0.26 H new ATOM 0 HA LYS A 104 -2.030 9.548 -3.124 1.00 0.33 H new ATOM 0 HB2 LYS A 104 -4.400 10.230 -2.524 1.00 0.32 H new ATOM 0 HB3 LYS A 104 -3.957 11.875 -2.936 1.00 0.32 H new ATOM 0 HG2 LYS A 104 -3.669 9.596 -4.907 1.00 0.53 H new ATOM 0 HG3 LYS A 104 -5.170 10.480 -4.714 1.00 0.53 H new ATOM 0 HD2 LYS A 104 -3.900 12.615 -5.186 1.00 0.93 H new ATOM 0 HD3 LYS A 104 -2.482 11.643 -5.528 1.00 0.93 H new ATOM 0 HE2 LYS A 104 -3.731 10.444 -7.314 1.00 1.15 H new ATOM 0 HE3 LYS A 104 -5.154 11.406 -6.969 1.00 1.15 H new ATOM 0 HZ1 LYS A 104 -3.928 12.294 -8.838 1.00 2.18 H new ATOM 0 HZ2 LYS A 104 -3.911 13.404 -7.553 1.00 2.18 H new ATOM 0 HZ3 LYS A 104 -2.532 12.471 -7.887 1.00 2.18 H new ATOM 1687 N PRO A 105 -1.111 12.740 -2.750 1.00 0.39 N ATOM 1688 CA PRO A 105 0.015 13.639 -3.070 1.00 0.50 C ATOM 1689 C PRO A 105 1.390 13.067 -2.673 1.00 0.66 C ATOM 1690 O PRO A 105 2.356 13.819 -2.539 1.00 1.25 O ATOM 1691 CB PRO A 105 -0.257 14.896 -2.234 1.00 0.51 C ATOM 1692 CG PRO A 105 -1.673 14.798 -1.775 1.00 0.60 C ATOM 1693 CD PRO A 105 -2.034 13.350 -1.775 1.00 0.35 C ATOM 0 HA PRO A 105 0.066 13.809 -4.146 1.00 0.50 H new ATOM 0 HB2 PRO A 105 0.424 14.952 -1.384 1.00 0.51 H new ATOM 0 HB3 PRO A 105 -0.102 15.798 -2.827 1.00 0.51 H new ATOM 0 HG2 PRO A 105 -1.785 15.223 -0.778 1.00 0.60 H new ATOM 0 HG3 PRO A 105 -2.332 15.360 -2.437 1.00 0.60 H new ATOM 0 HD2 PRO A 105 -1.913 12.911 -0.785 1.00 0.35 H new ATOM 0 HD3 PRO A 105 -3.074 13.200 -2.065 1.00 0.35 H new ATOM 1701 N PHE A 106 1.460 11.753 -2.452 1.00 0.50 N ATOM 1702 CA PHE A 106 2.714 11.064 -2.118 1.00 0.65 C ATOM 1703 C PHE A 106 3.874 11.426 -3.043 1.00 0.35 C ATOM 1704 O PHE A 106 3.687 11.904 -4.164 1.00 0.68 O ATOM 1705 CB PHE A 106 2.527 9.541 -2.182 1.00 1.19 C ATOM 1706 CG PHE A 106 2.187 9.011 -3.554 1.00 2.49 C ATOM 1707 CD1 PHE A 106 3.183 8.729 -4.472 1.00 3.00 C ATOM 1708 CD2 PHE A 106 0.870 8.796 -3.921 1.00 3.26 C ATOM 1709 CE1 PHE A 106 2.874 8.245 -5.726 1.00 4.24 C ATOM 1710 CE2 PHE A 106 0.554 8.312 -5.174 1.00 4.50 C ATOM 1711 CZ PHE A 106 1.557 8.037 -6.080 1.00 4.99 C ATOM 0 H PHE A 106 0.651 11.134 -2.499 1.00 0.50 H new ATOM 0 HA PHE A 106 2.963 11.394 -1.109 1.00 0.65 H new ATOM 0 HB2 PHE A 106 3.442 9.060 -1.837 1.00 1.19 H new ATOM 0 HB3 PHE A 106 1.736 9.255 -1.489 1.00 1.19 H new ATOM 0 HD1 PHE A 106 4.216 8.890 -4.203 1.00 3.00 H new ATOM 0 HD2 PHE A 106 0.079 9.010 -3.217 1.00 3.26 H new ATOM 0 HE1 PHE A 106 3.663 8.029 -6.431 1.00 4.24 H new ATOM 0 HE2 PHE A 106 -0.479 8.149 -5.445 1.00 4.50 H new ATOM 0 HZ PHE A 106 1.312 7.660 -7.062 1.00 4.99 H new ATOM 1721 N ASP A 107 5.077 11.166 -2.557 1.00 0.40 N ATOM 1722 CA ASP A 107 6.266 11.212 -3.389 1.00 0.37 C ATOM 1723 C ASP A 107 6.488 9.831 -3.966 1.00 0.47 C ATOM 1724 O ASP A 107 6.175 8.839 -3.314 1.00 0.66 O ATOM 1725 CB ASP A 107 7.498 11.588 -2.575 1.00 0.45 C ATOM 1726 CG ASP A 107 8.604 12.163 -3.429 1.00 1.16 C ATOM 1727 OD1 ASP A 107 8.593 13.385 -3.674 1.00 1.63 O ATOM 1728 OD2 ASP A 107 9.483 11.392 -3.868 1.00 1.67 O ATOM 0 H ASP A 107 5.255 10.919 -1.583 1.00 0.40 H new ATOM 0 HA ASP A 107 6.120 11.960 -4.168 1.00 0.37 H new ATOM 0 HB2 ASP A 107 7.217 12.315 -1.812 1.00 0.45 H new ATOM 0 HB3 ASP A 107 7.868 10.705 -2.053 1.00 0.45 H new ATOM 1733 N ILE A 108 7.035 9.752 -5.160 1.00 0.48 N ATOM 1734 CA ILE A 108 7.304 8.462 -5.768 1.00 0.58 C ATOM 1735 C ILE A 108 8.415 7.742 -5.007 1.00 0.50 C ATOM 1736 O ILE A 108 8.231 6.643 -4.481 1.00 0.44 O ATOM 1737 CB ILE A 108 7.708 8.624 -7.238 1.00 0.75 C ATOM 1738 CG1 ILE A 108 6.603 9.353 -8.004 1.00 0.70 C ATOM 1739 CG2 ILE A 108 7.983 7.270 -7.861 1.00 1.04 C ATOM 1740 CD1 ILE A 108 5.346 8.532 -8.203 1.00 1.13 C ATOM 0 H ILE A 108 7.301 10.557 -5.727 1.00 0.48 H new ATOM 0 HA ILE A 108 6.391 7.869 -5.721 1.00 0.58 H new ATOM 0 HB ILE A 108 8.621 9.217 -7.291 1.00 0.75 H new ATOM 0 HG12 ILE A 108 6.346 10.267 -7.469 1.00 0.70 H new ATOM 0 HG13 ILE A 108 6.988 9.652 -8.979 1.00 0.70 H new ATOM 0 HG21 ILE A 108 8.269 7.401 -8.905 1.00 1.04 H new ATOM 0 HG22 ILE A 108 8.793 6.779 -7.322 1.00 1.04 H new ATOM 0 HG23 ILE A 108 7.085 6.655 -7.805 1.00 1.04 H new ATOM 0 HD11 ILE A 108 4.611 9.119 -8.754 1.00 1.13 H new ATOM 0 HD12 ILE A 108 5.586 7.630 -8.766 1.00 1.13 H new ATOM 0 HD13 ILE A 108 4.935 8.255 -7.232 1.00 1.13 H new ATOM 1752 N ASP A 109 9.554 8.397 -4.915 1.00 0.49 N ATOM 1753 CA ASP A 109 10.692 7.862 -4.184 1.00 0.42 C ATOM 1754 C ASP A 109 10.331 7.643 -2.717 1.00 0.34 C ATOM 1755 O ASP A 109 10.819 6.704 -2.090 1.00 0.30 O ATOM 1756 CB ASP A 109 11.881 8.813 -4.335 1.00 0.46 C ATOM 1757 CG ASP A 109 12.872 8.734 -3.188 1.00 0.98 C ATOM 1758 OD1 ASP A 109 13.704 7.801 -3.187 1.00 1.88 O ATOM 1759 OD2 ASP A 109 12.812 9.586 -2.276 1.00 0.89 O ATOM 0 H ASP A 109 9.720 9.309 -5.340 1.00 0.49 H new ATOM 0 HA ASP A 109 10.969 6.892 -4.597 1.00 0.42 H new ATOM 0 HB2 ASP A 109 12.399 8.589 -5.268 1.00 0.46 H new ATOM 0 HB3 ASP A 109 11.510 9.835 -4.414 1.00 0.46 H new ATOM 1764 N GLU A 110 9.427 8.469 -2.191 1.00 0.35 N ATOM 1765 CA GLU A 110 9.006 8.343 -0.802 1.00 0.35 C ATOM 1766 C GLU A 110 8.055 7.160 -0.645 1.00 0.33 C ATOM 1767 O GLU A 110 8.002 6.542 0.412 1.00 0.34 O ATOM 1768 CB GLU A 110 8.329 9.637 -0.322 1.00 0.49 C ATOM 1769 CG GLU A 110 7.845 9.598 1.124 1.00 0.62 C ATOM 1770 CD GLU A 110 8.928 9.981 2.113 1.00 1.15 C ATOM 1771 OE1 GLU A 110 9.489 11.090 1.990 1.00 1.68 O ATOM 1772 OE2 GLU A 110 9.231 9.169 3.013 1.00 1.71 O ATOM 0 H GLU A 110 8.977 9.227 -2.704 1.00 0.35 H new ATOM 0 HA GLU A 110 9.890 8.168 -0.188 1.00 0.35 H new ATOM 0 HB2 GLU A 110 9.031 10.463 -0.435 1.00 0.49 H new ATOM 0 HB3 GLU A 110 7.479 9.850 -0.971 1.00 0.49 H new ATOM 0 HG2 GLU A 110 6.998 10.275 1.238 1.00 0.62 H new ATOM 0 HG3 GLU A 110 7.485 8.596 1.356 1.00 0.62 H new ATOM 1779 N ILE A 111 7.329 6.819 -1.709 1.00 0.34 N ATOM 1780 CA ILE A 111 6.352 5.744 -1.623 1.00 0.33 C ATOM 1781 C ILE A 111 7.066 4.393 -1.606 1.00 0.28 C ATOM 1782 O ILE A 111 6.773 3.535 -0.769 1.00 0.27 O ATOM 1783 CB ILE A 111 5.292 5.810 -2.757 1.00 0.36 C ATOM 1784 CG1 ILE A 111 4.014 5.128 -2.289 1.00 0.61 C ATOM 1785 CG2 ILE A 111 5.767 5.175 -4.055 1.00 0.69 C ATOM 1786 CD1 ILE A 111 3.181 5.974 -1.355 1.00 1.06 C ATOM 0 H ILE A 111 7.399 7.265 -2.624 1.00 0.34 H new ATOM 0 HA ILE A 111 5.804 5.868 -0.689 1.00 0.33 H new ATOM 0 HB ILE A 111 5.112 6.864 -2.970 1.00 0.36 H new ATOM 0 HG12 ILE A 111 3.413 4.865 -3.160 1.00 0.61 H new ATOM 0 HG13 ILE A 111 4.273 4.196 -1.787 1.00 0.61 H new ATOM 0 HG21 ILE A 111 4.982 5.253 -4.807 1.00 0.69 H new ATOM 0 HG22 ILE A 111 6.660 5.692 -4.407 1.00 0.69 H new ATOM 0 HG23 ILE A 111 6.000 4.124 -3.882 1.00 0.69 H new ATOM 0 HD11 ILE A 111 2.287 5.422 -1.064 1.00 1.06 H new ATOM 0 HD12 ILE A 111 3.764 6.216 -0.466 1.00 1.06 H new ATOM 0 HD13 ILE A 111 2.890 6.895 -1.860 1.00 1.06 H new ATOM 1798 N ARG A 112 8.042 4.227 -2.498 1.00 0.27 N ATOM 1799 CA ARG A 112 8.831 3.005 -2.532 1.00 0.24 C ATOM 1800 C ARG A 112 9.716 2.925 -1.299 1.00 0.22 C ATOM 1801 O ARG A 112 9.896 1.851 -0.726 1.00 0.22 O ATOM 1802 CB ARG A 112 9.671 2.915 -3.811 1.00 0.23 C ATOM 1803 CG ARG A 112 10.523 4.148 -4.083 1.00 0.23 C ATOM 1804 CD ARG A 112 11.333 3.999 -5.361 1.00 0.23 C ATOM 1805 NE ARG A 112 12.025 5.226 -5.741 1.00 0.79 N ATOM 1806 CZ ARG A 112 13.320 5.284 -6.056 1.00 0.82 C ATOM 1807 NH1 ARG A 112 14.069 4.186 -6.051 1.00 1.16 N ATOM 1808 NH2 ARG A 112 13.859 6.443 -6.405 1.00 1.39 N ATOM 0 H ARG A 112 8.301 4.920 -3.200 1.00 0.27 H new ATOM 0 HA ARG A 112 8.146 2.157 -2.532 1.00 0.24 H new ATOM 0 HB2 ARG A 112 10.323 2.044 -3.744 1.00 0.23 H new ATOM 0 HB3 ARG A 112 9.006 2.752 -4.659 1.00 0.23 H new ATOM 0 HG2 ARG A 112 9.880 5.025 -4.159 1.00 0.23 H new ATOM 0 HG3 ARG A 112 11.196 4.318 -3.243 1.00 0.23 H new ATOM 0 HD2 ARG A 112 12.064 3.201 -5.231 1.00 0.23 H new ATOM 0 HD3 ARG A 112 10.671 3.695 -6.172 1.00 0.23 H new ATOM 0 HE ARG A 112 11.486 6.092 -5.767 1.00 0.79 H new ATOM 0 HH11 ARG A 112 13.655 3.287 -5.805 1.00 1.16 H new ATOM 0 HH12 ARG A 112 15.058 4.242 -6.294 1.00 1.16 H new ATOM 0 HH21 ARG A 112 13.284 7.285 -6.432 1.00 1.39 H new ATOM 0 HH22 ARG A 112 14.849 6.493 -6.647 1.00 1.39 H new ATOM 1822 N ASP A 113 10.237 4.071 -0.876 1.00 0.23 N ATOM 1823 CA ASP A 113 11.079 4.129 0.308 1.00 0.24 C ATOM 1824 C ASP A 113 10.285 3.752 1.552 1.00 0.25 C ATOM 1825 O ASP A 113 10.712 2.907 2.336 1.00 0.26 O ATOM 1826 CB ASP A 113 11.685 5.522 0.473 1.00 0.28 C ATOM 1827 CG ASP A 113 12.633 5.599 1.656 1.00 0.39 C ATOM 1828 OD1 ASP A 113 13.786 5.141 1.532 1.00 0.58 O ATOM 1829 OD2 ASP A 113 12.230 6.115 2.718 1.00 0.43 O ATOM 0 H ASP A 113 10.090 4.970 -1.336 1.00 0.23 H new ATOM 0 HA ASP A 113 11.889 3.411 0.181 1.00 0.24 H new ATOM 0 HB2 ASP A 113 12.220 5.794 -0.437 1.00 0.28 H new ATOM 0 HB3 ASP A 113 10.885 6.251 0.603 1.00 0.28 H new ATOM 1834 N ALA A 114 9.114 4.350 1.709 1.00 0.26 N ATOM 1835 CA ALA A 114 8.271 4.078 2.864 1.00 0.28 C ATOM 1836 C ALA A 114 7.931 2.602 2.967 1.00 0.28 C ATOM 1837 O ALA A 114 8.143 1.988 4.012 1.00 0.32 O ATOM 1838 CB ALA A 114 6.997 4.902 2.811 1.00 0.35 C ATOM 0 H ALA A 114 8.726 5.027 1.052 1.00 0.26 H new ATOM 0 HA ALA A 114 8.836 4.361 3.752 1.00 0.28 H new ATOM 0 HB1 ALA A 114 6.384 4.681 3.685 1.00 0.35 H new ATOM 0 HB2 ALA A 114 7.250 5.962 2.804 1.00 0.35 H new ATOM 0 HB3 ALA A 114 6.441 4.655 1.906 1.00 0.35 H new ATOM 1844 N VAL A 115 7.426 2.021 1.884 1.00 0.27 N ATOM 1845 CA VAL A 115 6.997 0.631 1.927 1.00 0.29 C ATOM 1846 C VAL A 115 8.177 -0.323 2.112 1.00 0.30 C ATOM 1847 O VAL A 115 8.021 -1.357 2.742 1.00 0.35 O ATOM 1848 CB VAL A 115 6.178 0.211 0.689 1.00 0.34 C ATOM 1849 CG1 VAL A 115 4.964 1.111 0.531 1.00 0.37 C ATOM 1850 CG2 VAL A 115 7.032 0.218 -0.571 1.00 0.33 C ATOM 0 H VAL A 115 7.306 2.482 0.982 1.00 0.27 H new ATOM 0 HA VAL A 115 6.342 0.559 2.796 1.00 0.29 H new ATOM 0 HB VAL A 115 5.833 -0.812 0.841 1.00 0.34 H new ATOM 0 HG11 VAL A 115 4.395 0.804 -0.346 1.00 0.37 H new ATOM 0 HG12 VAL A 115 4.335 1.032 1.418 1.00 0.37 H new ATOM 0 HG13 VAL A 115 5.290 2.144 0.408 1.00 0.37 H new ATOM 0 HG21 VAL A 115 6.424 -0.083 -1.424 1.00 0.33 H new ATOM 0 HG22 VAL A 115 7.423 1.221 -0.740 1.00 0.33 H new ATOM 0 HG23 VAL A 115 7.861 -0.480 -0.452 1.00 0.33 H new ATOM 1860 N LYS A 116 9.359 0.027 1.592 1.00 0.29 N ATOM 1861 CA LYS A 116 10.521 -0.851 1.741 1.00 0.33 C ATOM 1862 C LYS A 116 11.094 -0.774 3.144 1.00 0.32 C ATOM 1863 O LYS A 116 11.786 -1.680 3.595 1.00 0.40 O ATOM 1864 CB LYS A 116 11.612 -0.537 0.718 1.00 0.44 C ATOM 1865 CG LYS A 116 12.255 0.826 0.850 1.00 0.50 C ATOM 1866 CD LYS A 116 13.205 1.050 -0.313 1.00 0.70 C ATOM 1867 CE LYS A 116 13.892 2.393 -0.248 1.00 0.97 C ATOM 1868 NZ LYS A 116 14.616 2.695 -1.511 1.00 1.48 N ATOM 0 H LYS A 116 9.533 0.890 1.077 1.00 0.29 H new ATOM 0 HA LYS A 116 10.168 -1.866 1.559 1.00 0.33 H new ATOM 0 HB2 LYS A 116 12.390 -1.296 0.798 1.00 0.44 H new ATOM 0 HB3 LYS A 116 11.185 -0.623 -0.281 1.00 0.44 H new ATOM 0 HG2 LYS A 116 11.489 1.602 0.863 1.00 0.50 H new ATOM 0 HG3 LYS A 116 12.795 0.895 1.794 1.00 0.50 H new ATOM 0 HD2 LYS A 116 13.957 0.261 -0.321 1.00 0.70 H new ATOM 0 HD3 LYS A 116 12.652 0.973 -1.249 1.00 0.70 H new ATOM 0 HE2 LYS A 116 13.154 3.172 -0.055 1.00 0.97 H new ATOM 0 HE3 LYS A 116 14.593 2.404 0.586 1.00 0.97 H new ATOM 0 HZ1 LYS A 116 14.519 3.706 -1.733 1.00 1.48 H new ATOM 0 HZ2 LYS A 116 15.623 2.460 -1.399 1.00 1.48 H new ATOM 0 HZ3 LYS A 116 14.213 2.130 -2.286 1.00 1.48 H new ATOM 1882 N LYS A 117 10.825 0.320 3.824 1.00 0.28 N ATOM 1883 CA LYS A 117 11.256 0.468 5.201 1.00 0.31 C ATOM 1884 C LYS A 117 10.258 -0.203 6.142 1.00 0.33 C ATOM 1885 O LYS A 117 10.542 -0.419 7.321 1.00 0.46 O ATOM 1886 CB LYS A 117 11.418 1.947 5.526 1.00 0.39 C ATOM 1887 CG LYS A 117 12.465 2.629 4.654 1.00 0.55 C ATOM 1888 CD LYS A 117 13.883 2.294 5.090 1.00 1.00 C ATOM 1889 CE LYS A 117 14.910 2.967 4.188 1.00 1.77 C ATOM 1890 NZ LYS A 117 14.785 4.450 4.205 1.00 2.58 N ATOM 0 H LYS A 117 10.312 1.118 3.449 1.00 0.28 H new ATOM 0 HA LYS A 117 12.220 -0.022 5.338 1.00 0.31 H new ATOM 0 HB2 LYS A 117 10.460 2.450 5.397 1.00 0.39 H new ATOM 0 HB3 LYS A 117 11.697 2.056 6.574 1.00 0.39 H new ATOM 0 HG2 LYS A 117 12.325 2.326 3.616 1.00 0.55 H new ATOM 0 HG3 LYS A 117 12.320 3.709 4.693 1.00 0.55 H new ATOM 0 HD2 LYS A 117 14.035 2.615 6.121 1.00 1.00 H new ATOM 0 HD3 LYS A 117 14.028 1.214 5.068 1.00 1.00 H new ATOM 0 HE2 LYS A 117 15.913 2.685 4.508 1.00 1.77 H new ATOM 0 HE3 LYS A 117 14.787 2.605 3.167 1.00 1.77 H new ATOM 0 HZ1 LYS A 117 14.420 4.778 3.288 1.00 2.58 H new ATOM 0 HZ2 LYS A 117 14.130 4.735 4.961 1.00 2.58 H new ATOM 0 HZ3 LYS A 117 15.718 4.875 4.378 1.00 2.58 H new ATOM 1904 N TYR A 118 9.092 -0.528 5.597 1.00 0.29 N ATOM 1905 CA TYR A 118 8.060 -1.267 6.323 1.00 0.37 C ATOM 1906 C TYR A 118 8.105 -2.742 5.976 1.00 0.39 C ATOM 1907 O TYR A 118 8.460 -3.577 6.805 1.00 0.50 O ATOM 1908 CB TYR A 118 6.684 -0.715 5.986 1.00 0.41 C ATOM 1909 CG TYR A 118 6.275 0.444 6.868 1.00 0.48 C ATOM 1910 CD1 TYR A 118 5.758 0.218 8.137 1.00 0.63 C ATOM 1911 CD2 TYR A 118 6.431 1.759 6.449 1.00 0.54 C ATOM 1912 CE1 TYR A 118 5.403 1.268 8.962 1.00 0.71 C ATOM 1913 CE2 TYR A 118 6.084 2.816 7.270 1.00 0.63 C ATOM 1914 CZ TYR A 118 5.570 2.565 8.525 1.00 0.67 C ATOM 1915 OH TYR A 118 5.235 3.615 9.353 1.00 0.77 O ATOM 0 H TYR A 118 8.833 -0.288 4.640 1.00 0.29 H new ATOM 0 HA TYR A 118 8.251 -1.149 7.390 1.00 0.37 H new ATOM 0 HB2 TYR A 118 6.674 -0.392 4.945 1.00 0.41 H new ATOM 0 HB3 TYR A 118 5.947 -1.512 6.080 1.00 0.41 H new ATOM 0 HD1 TYR A 118 5.631 -0.796 8.485 1.00 0.63 H new ATOM 0 HD2 TYR A 118 6.830 1.959 5.466 1.00 0.54 H new ATOM 0 HE1 TYR A 118 4.997 1.074 9.944 1.00 0.71 H new ATOM 0 HE2 TYR A 118 6.215 3.833 6.930 1.00 0.63 H new ATOM 0 HH TYR A 118 5.414 4.463 8.895 1.00 0.77 H new ATOM 1925 N LEU A 119 7.723 -3.052 4.750 1.00 0.33 N ATOM 1926 CA LEU A 119 7.857 -4.398 4.235 1.00 0.36 C ATOM 1927 C LEU A 119 9.050 -4.468 3.305 1.00 0.39 C ATOM 1928 O LEU A 119 8.963 -4.122 2.128 1.00 0.40 O ATOM 1929 CB LEU A 119 6.618 -4.884 3.480 1.00 0.37 C ATOM 1930 CG LEU A 119 6.819 -6.265 2.850 1.00 0.59 C ATOM 1931 CD1 LEU A 119 7.125 -7.305 3.920 1.00 1.15 C ATOM 1932 CD2 LEU A 119 5.619 -6.672 2.019 1.00 1.37 C ATOM 0 H LEU A 119 7.317 -2.386 4.093 1.00 0.33 H new ATOM 0 HA LEU A 119 7.989 -5.049 5.099 1.00 0.36 H new ATOM 0 HB2 LEU A 119 5.771 -4.920 4.165 1.00 0.37 H new ATOM 0 HB3 LEU A 119 6.367 -4.165 2.700 1.00 0.37 H new ATOM 0 HG LEU A 119 7.676 -6.206 2.179 1.00 0.59 H new ATOM 0 HD11 LEU A 119 7.264 -8.279 3.451 1.00 1.15 H new ATOM 0 HD12 LEU A 119 8.035 -7.024 4.451 1.00 1.15 H new ATOM 0 HD13 LEU A 119 6.295 -7.357 4.625 1.00 1.15 H new ATOM 0 HD21 LEU A 119 5.794 -7.657 1.586 1.00 1.37 H new ATOM 0 HD22 LEU A 119 4.733 -6.706 2.652 1.00 1.37 H new ATOM 0 HD23 LEU A 119 5.466 -5.946 1.220 1.00 1.37 H new ATOM 1944 N PRO A 120 10.186 -4.908 3.825 1.00 0.48 N ATOM 1945 CA PRO A 120 11.397 -5.030 3.077 1.00 0.56 C ATOM 1946 C PRO A 120 11.653 -6.462 2.625 1.00 0.53 C ATOM 1947 O PRO A 120 11.685 -7.398 3.425 1.00 0.61 O ATOM 1948 CB PRO A 120 12.432 -4.568 4.086 1.00 0.68 C ATOM 1949 CG PRO A 120 11.830 -4.836 5.435 1.00 0.67 C ATOM 1950 CD PRO A 120 10.415 -5.311 5.196 1.00 0.55 C ATOM 0 HA PRO A 120 11.394 -4.458 2.149 1.00 0.56 H new ATOM 0 HB2 PRO A 120 13.370 -5.109 3.961 1.00 0.68 H new ATOM 0 HB3 PRO A 120 12.656 -3.509 3.960 1.00 0.68 H new ATOM 0 HG2 PRO A 120 12.405 -5.590 5.972 1.00 0.67 H new ATOM 0 HG3 PRO A 120 11.837 -3.934 6.047 1.00 0.67 H new ATOM 0 HD2 PRO A 120 10.320 -6.389 5.325 1.00 0.55 H new ATOM 0 HD3 PRO A 120 9.707 -4.844 5.881 1.00 0.55 H new ATOM 1958 N LEU A 121 11.841 -6.614 1.336 1.00 0.57 N ATOM 1959 CA LEU A 121 12.020 -7.927 0.728 1.00 0.49 C ATOM 1960 C LEU A 121 13.083 -7.889 -0.369 1.00 0.53 C ATOM 1961 O LEU A 121 13.707 -8.904 -0.693 1.00 0.56 O ATOM 1962 CB LEU A 121 10.675 -8.493 0.207 1.00 0.50 C ATOM 1963 CG LEU A 121 9.815 -7.657 -0.783 1.00 0.69 C ATOM 1964 CD1 LEU A 121 8.457 -7.335 -0.177 1.00 1.11 C ATOM 1965 CD2 LEU A 121 10.464 -6.372 -1.234 1.00 1.31 C ATOM 0 H LEU A 121 11.875 -5.839 0.674 1.00 0.57 H new ATOM 0 HA LEU A 121 12.378 -8.607 1.501 1.00 0.49 H new ATOM 0 HB2 LEU A 121 10.889 -9.447 -0.274 1.00 0.50 H new ATOM 0 HB3 LEU A 121 10.054 -8.707 1.077 1.00 0.50 H new ATOM 0 HG LEU A 121 9.706 -8.288 -1.665 1.00 0.69 H new ATOM 0 HD11 LEU A 121 7.872 -6.750 -0.886 1.00 1.11 H new ATOM 0 HD12 LEU A 121 7.931 -8.262 0.050 1.00 1.11 H new ATOM 0 HD13 LEU A 121 8.594 -6.762 0.740 1.00 1.11 H new ATOM 0 HD21 LEU A 121 9.799 -5.850 -1.922 1.00 1.31 H new ATOM 0 HD22 LEU A 121 10.659 -5.740 -0.368 1.00 1.31 H new ATOM 0 HD23 LEU A 121 11.404 -6.597 -1.739 1.00 1.31 H new