USER MOD reduce.3.24.130724 H: found=0, std=0, add=815, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 817 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 27 SER OG : rot -78:sc= 0.917 USER MOD Set 1.2: A 58 ASN : amide:sc= -0.734 K(o=0.18,f=-7.5!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= -5.47! C(o=-5.5!,f=-7.1!) USER MOD Single : A 14 THR OG1 : rot 67:sc= 0.376! USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -0.215 K(o=-0.21,f=-2.3) USER MOD Single : A 23 TYR OH : rot 180:sc= -0.191 USER MOD Single : A 24 HIS : no HE2:sc= -3.07! C(o=-3.1!,f=-6!) USER MOD Single : A 29 ASN : amide:sc= -7.69! C(o=-7.7!,f=-10!) USER MOD Single : A 30 THR OG1 : rot -66:sc= -4.38! USER MOD Single : A 31 ASN : amide:sc= -1.04 K(o=-1,f=-5.5!) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -0.386 X(o=-0.39,f=-0.36) USER MOD Single : A 40 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0321) USER MOD Single : A 42 THR OG1 : rot 170:sc= -1.33! USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 169:sc=-0.00567 (180deg=-0.13) USER MOD Single : A 63 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 66 ASN : amide:sc= -0.203 K(o=-0.2,f=-11!) USER MOD Single : A 67 MET CE :methyl -162:sc= -0.0839 (180deg=-0.535) USER MOD Single : A 68 LYS NZ :NH3+ 164:sc= -0.0177 (180deg=-0.27) USER MOD Single : A 71 THR OG1 : rot 119:sc= 1.19 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 CYS SG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 56:sc= -1.95! USER MOD Single : A 95 MET CE :methyl -166:sc=-0.00567 (180deg=-0.214) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 174:sc= 0.902 (180deg=0.751) USER MOD Single : A 102 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 108 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 111 ASN : amide:sc= -2.19! C(o=-2.2!,f=-3.9!) USER MOD Single : A 112 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00155) USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 47 N LYS A 5 15.987 6.133 2.961 1.00 3.56 N ATOM 48 CA LYS A 5 15.158 5.743 4.097 1.00 3.21 C ATOM 49 C LYS A 5 14.897 4.258 4.199 1.00 2.60 C ATOM 50 O LYS A 5 14.972 3.527 3.222 1.00 2.48 O ATOM 51 CB LYS A 5 13.814 6.428 4.040 1.00 3.31 C ATOM 52 CG LYS A 5 13.246 6.486 2.661 1.00 3.91 C ATOM 53 CD LYS A 5 12.071 7.452 2.600 1.00 4.47 C ATOM 54 CE LYS A 5 11.550 7.646 1.188 1.00 5.34 C ATOM 55 NZ LYS A 5 10.563 8.760 1.115 1.00 5.99 N ATOM 0 HA LYS A 5 15.735 6.048 4.970 1.00 3.21 H new ATOM 0 HB2 LYS A 5 13.117 5.902 4.692 1.00 3.31 H new ATOM 0 HB3 LYS A 5 13.912 7.441 4.429 1.00 3.31 H new ATOM 0 HG2 LYS A 5 14.018 6.800 1.958 1.00 3.91 H new ATOM 0 HG3 LYS A 5 12.921 5.492 2.355 1.00 3.91 H new ATOM 0 HD2 LYS A 5 11.266 7.079 3.233 1.00 4.47 H new ATOM 0 HD3 LYS A 5 12.376 8.416 3.007 1.00 4.47 H new ATOM 0 HE2 LYS A 5 12.384 7.854 0.517 1.00 5.34 H new ATOM 0 HE3 LYS A 5 11.084 6.723 0.842 1.00 5.34 H new ATOM 0 HZ1 LYS A 5 10.228 8.864 0.136 1.00 5.99 H new ATOM 0 HZ2 LYS A 5 9.756 8.550 1.736 1.00 5.99 H new ATOM 0 HZ3 LYS A 5 11.015 9.645 1.422 1.00 5.99 H new ATOM 69 N GLU A 6 14.566 3.857 5.414 1.00 2.54 N ATOM 70 CA GLU A 6 13.972 2.586 5.706 1.00 2.10 C ATOM 71 C GLU A 6 12.516 2.658 5.300 1.00 1.84 C ATOM 72 O GLU A 6 11.840 3.648 5.575 1.00 2.27 O ATOM 73 CB GLU A 6 14.135 2.322 7.192 1.00 2.49 C ATOM 74 CG GLU A 6 15.573 2.014 7.557 1.00 2.96 C ATOM 75 CD GLU A 6 15.788 1.888 9.053 1.00 3.57 C ATOM 76 OE1 GLU A 6 15.783 0.753 9.571 1.00 4.01 O ATOM 77 OE2 GLU A 6 15.968 2.929 9.722 1.00 3.94 O ATOM 0 H GLU A 6 14.712 4.433 6.243 1.00 2.54 H new ATOM 0 HA GLU A 6 14.445 1.769 5.161 1.00 2.10 H new ATOM 0 HB2 GLU A 6 13.796 3.192 7.755 1.00 2.49 H new ATOM 0 HB3 GLU A 6 13.499 1.486 7.484 1.00 2.49 H new ATOM 0 HG2 GLU A 6 15.875 1.086 7.072 1.00 2.96 H new ATOM 0 HG3 GLU A 6 16.218 2.801 7.167 1.00 2.96 H new ATOM 84 N ILE A 7 12.035 1.643 4.626 1.00 1.34 N ATOM 85 CA ILE A 7 10.813 1.789 3.869 1.00 1.10 C ATOM 86 C ILE A 7 9.592 1.297 4.638 1.00 0.99 C ATOM 87 O ILE A 7 9.663 0.322 5.387 1.00 1.30 O ATOM 88 CB ILE A 7 10.972 1.099 2.509 1.00 1.29 C ATOM 89 CG1 ILE A 7 12.170 1.675 1.779 1.00 1.73 C ATOM 90 CG2 ILE A 7 9.748 1.239 1.653 1.00 1.29 C ATOM 91 CD1 ILE A 7 12.321 3.168 1.959 1.00 2.00 C ATOM 0 H ILE A 7 12.463 0.718 4.584 1.00 1.34 H new ATOM 0 HA ILE A 7 10.633 2.850 3.697 1.00 1.10 H new ATOM 0 HB ILE A 7 11.121 0.036 2.699 1.00 1.29 H new ATOM 0 HG12 ILE A 7 13.074 1.180 2.133 1.00 1.73 H new ATOM 0 HG13 ILE A 7 12.080 1.452 0.716 1.00 1.73 H new ATOM 0 HG21 ILE A 7 9.910 0.734 0.701 1.00 1.29 H new ATOM 0 HG22 ILE A 7 8.895 0.790 2.162 1.00 1.29 H new ATOM 0 HG23 ILE A 7 9.548 2.295 1.474 1.00 1.29 H new ATOM 0 HD11 ILE A 7 13.197 3.514 1.411 1.00 2.00 H new ATOM 0 HD12 ILE A 7 11.433 3.672 1.579 1.00 2.00 H new ATOM 0 HD13 ILE A 7 12.442 3.396 3.018 1.00 2.00 H new ATOM 103 N GLU A 8 8.462 1.962 4.402 1.00 0.87 N ATOM 104 CA GLU A 8 7.328 1.922 5.317 1.00 0.93 C ATOM 105 C GLU A 8 6.058 2.266 4.574 1.00 0.86 C ATOM 106 O GLU A 8 5.851 3.408 4.191 1.00 1.29 O ATOM 107 CB GLU A 8 7.515 2.933 6.448 1.00 1.41 C ATOM 108 CG GLU A 8 8.442 2.478 7.559 1.00 1.71 C ATOM 109 CD GLU A 8 8.532 3.484 8.686 1.00 2.31 C ATOM 110 OE1 GLU A 8 7.894 3.266 9.736 1.00 2.70 O ATOM 111 OE2 GLU A 8 9.237 4.503 8.528 1.00 2.71 O ATOM 0 H GLU A 8 8.309 2.540 3.575 1.00 0.87 H new ATOM 0 HA GLU A 8 7.262 0.917 5.733 1.00 0.93 H new ATOM 0 HB2 GLU A 8 7.903 3.861 6.027 1.00 1.41 H new ATOM 0 HB3 GLU A 8 6.540 3.161 6.878 1.00 1.41 H new ATOM 0 HG2 GLU A 8 8.090 1.525 7.954 1.00 1.71 H new ATOM 0 HG3 GLU A 8 9.437 2.305 7.150 1.00 1.71 H new ATOM 118 N ILE A 9 5.203 1.301 4.382 1.00 0.65 N ATOM 119 CA ILE A 9 4.066 1.498 3.511 1.00 0.68 C ATOM 120 C ILE A 9 2.822 1.810 4.315 1.00 0.53 C ATOM 121 O ILE A 9 2.530 1.139 5.298 1.00 0.68 O ATOM 122 CB ILE A 9 3.790 0.260 2.651 1.00 0.91 C ATOM 123 CG1 ILE A 9 5.027 -0.578 2.473 1.00 0.93 C ATOM 124 CG2 ILE A 9 3.287 0.666 1.297 1.00 1.34 C ATOM 125 CD1 ILE A 9 6.069 0.133 1.696 1.00 1.21 C ATOM 0 H ILE A 9 5.265 0.377 4.809 1.00 0.65 H new ATOM 0 HA ILE A 9 4.311 2.337 2.860 1.00 0.68 H new ATOM 0 HB ILE A 9 3.035 -0.330 3.171 1.00 0.91 H new ATOM 0 HG12 ILE A 9 5.425 -0.850 3.451 1.00 0.93 H new ATOM 0 HG13 ILE A 9 4.766 -1.507 1.966 1.00 0.93 H new ATOM 0 HG21 ILE A 9 3.096 -0.224 0.698 1.00 1.34 H new ATOM 0 HG22 ILE A 9 2.364 1.235 1.407 1.00 1.34 H new ATOM 0 HG23 ILE A 9 4.036 1.283 0.801 1.00 1.34 H new ATOM 0 HD11 ILE A 9 6.945 -0.507 1.591 1.00 1.21 H new ATOM 0 HD12 ILE A 9 5.680 0.381 0.708 1.00 1.21 H new ATOM 0 HD13 ILE A 9 6.350 1.049 2.216 1.00 1.21 H new ATOM 137 N VAL A 10 2.097 2.828 3.907 1.00 0.51 N ATOM 138 CA VAL A 10 0.835 3.138 4.542 1.00 0.46 C ATOM 139 C VAL A 10 -0.318 2.785 3.624 1.00 0.41 C ATOM 140 O VAL A 10 -0.417 3.280 2.499 1.00 0.44 O ATOM 141 CB VAL A 10 0.731 4.618 4.999 1.00 0.61 C ATOM 142 CG1 VAL A 10 1.686 5.512 4.223 1.00 0.92 C ATOM 143 CG2 VAL A 10 -0.705 5.129 4.881 1.00 0.77 C ATOM 0 H VAL A 10 2.357 3.452 3.143 1.00 0.51 H new ATOM 0 HA VAL A 10 0.781 2.529 5.445 1.00 0.46 H new ATOM 0 HB VAL A 10 1.022 4.655 6.049 1.00 0.61 H new ATOM 0 HG11 VAL A 10 1.585 6.540 4.570 1.00 0.92 H new ATOM 0 HG12 VAL A 10 2.710 5.174 4.381 1.00 0.92 H new ATOM 0 HG13 VAL A 10 1.448 5.463 3.160 1.00 0.92 H new ATOM 0 HG21 VAL A 10 -0.749 6.168 5.207 1.00 0.77 H new ATOM 0 HG22 VAL A 10 -1.031 5.060 3.843 1.00 0.77 H new ATOM 0 HG23 VAL A 10 -1.359 4.523 5.508 1.00 0.77 H new ATOM 153 N ILE A 11 -1.161 1.892 4.100 1.00 0.40 N ATOM 154 CA ILE A 11 -2.398 1.597 3.446 1.00 0.40 C ATOM 155 C ILE A 11 -3.498 2.289 4.229 1.00 0.44 C ATOM 156 O ILE A 11 -3.788 1.918 5.367 1.00 0.50 O ATOM 157 CB ILE A 11 -2.669 0.073 3.371 1.00 0.47 C ATOM 158 CG1 ILE A 11 -1.603 -0.650 2.553 1.00 0.58 C ATOM 159 CG2 ILE A 11 -4.039 -0.181 2.795 1.00 0.53 C ATOM 160 CD1 ILE A 11 -1.375 0.002 1.236 1.00 0.59 C ATOM 0 H ILE A 11 -0.999 1.355 4.952 1.00 0.40 H new ATOM 0 HA ILE A 11 -2.359 1.954 2.417 1.00 0.40 H new ATOM 0 HB ILE A 11 -2.628 -0.325 4.385 1.00 0.47 H new ATOM 0 HG12 ILE A 11 -0.668 -0.672 3.114 1.00 0.58 H new ATOM 0 HG13 ILE A 11 -1.906 -1.686 2.397 1.00 0.58 H new ATOM 0 HG21 ILE A 11 -4.220 -1.255 2.746 1.00 0.53 H new ATOM 0 HG22 ILE A 11 -4.793 0.286 3.429 1.00 0.53 H new ATOM 0 HG23 ILE A 11 -4.096 0.242 1.792 1.00 0.53 H new ATOM 0 HD11 ILE A 11 -0.609 -0.545 0.687 1.00 0.59 H new ATOM 0 HD12 ILE A 11 -2.303 0.000 0.664 1.00 0.59 H new ATOM 0 HD13 ILE A 11 -1.046 1.030 1.391 1.00 0.59 H new ATOM 172 N LYS A 12 -4.059 3.329 3.647 1.00 0.46 N ATOM 173 CA LYS A 12 -5.085 4.106 4.332 1.00 0.52 C ATOM 174 C LYS A 12 -6.449 3.704 3.817 1.00 0.50 C ATOM 175 O LYS A 12 -6.568 3.081 2.763 1.00 0.62 O ATOM 176 CB LYS A 12 -4.890 5.612 4.144 1.00 0.55 C ATOM 177 CG LYS A 12 -4.881 6.385 5.449 1.00 0.72 C ATOM 178 CD LYS A 12 -4.490 7.836 5.230 1.00 1.32 C ATOM 179 CE LYS A 12 -4.306 8.570 6.549 1.00 1.65 C ATOM 180 NZ LYS A 12 -3.765 9.940 6.355 1.00 2.08 N ATOM 0 H LYS A 12 -3.828 3.658 2.710 1.00 0.46 H new ATOM 0 HA LYS A 12 -5.004 3.894 5.398 1.00 0.52 H new ATOM 0 HB2 LYS A 12 -3.950 5.787 3.620 1.00 0.55 H new ATOM 0 HB3 LYS A 12 -5.686 5.997 3.507 1.00 0.55 H new ATOM 0 HG2 LYS A 12 -5.868 6.338 5.909 1.00 0.72 H new ATOM 0 HG3 LYS A 12 -4.183 5.919 6.145 1.00 0.72 H new ATOM 0 HD2 LYS A 12 -3.565 7.882 4.655 1.00 1.32 H new ATOM 0 HD3 LYS A 12 -5.258 8.335 4.639 1.00 1.32 H new ATOM 0 HE2 LYS A 12 -5.263 8.629 7.067 1.00 1.65 H new ATOM 0 HE3 LYS A 12 -3.631 8.001 7.189 1.00 1.65 H new ATOM 0 HZ1 LYS A 12 -3.655 10.404 7.279 1.00 2.08 H new ATOM 0 HZ2 LYS A 12 -2.840 9.884 5.884 1.00 2.08 H new ATOM 0 HZ3 LYS A 12 -4.421 10.492 5.766 1.00 2.08 H new ATOM 194 N ASN A 13 -7.470 4.067 4.556 1.00 0.55 N ATOM 195 CA ASN A 13 -8.814 3.631 4.274 1.00 0.59 C ATOM 196 C ASN A 13 -9.818 4.656 4.762 1.00 0.58 C ATOM 197 O ASN A 13 -10.077 4.756 5.962 1.00 0.95 O ATOM 198 CB ASN A 13 -9.038 2.317 4.990 1.00 1.01 C ATOM 199 CG ASN A 13 -8.203 2.241 6.260 1.00 2.06 C ATOM 200 OD1 ASN A 13 -7.136 1.631 6.293 1.00 2.81 O ATOM 201 ND2 ASN A 13 -8.650 2.916 7.294 1.00 2.71 N ATOM 0 H ASN A 13 -7.391 4.675 5.371 1.00 0.55 H new ATOM 0 HA ASN A 13 -8.947 3.511 3.199 1.00 0.59 H new ATOM 0 HB2 ASN A 13 -10.094 2.209 5.237 1.00 1.01 H new ATOM 0 HB3 ASN A 13 -8.779 1.490 4.330 1.00 1.01 H new ATOM 0 HD21 ASN A 13 -8.108 2.945 8.157 1.00 2.71 H new ATOM 0 HD22 ASN A 13 -9.540 3.411 7.234 1.00 2.71 H new ATOM 208 N THR A 14 -10.385 5.425 3.859 1.00 0.47 N ATOM 209 CA THR A 14 -11.304 6.457 4.276 1.00 0.74 C ATOM 210 C THR A 14 -12.065 7.102 3.127 1.00 0.54 C ATOM 211 O THR A 14 -11.568 7.989 2.431 1.00 0.70 O ATOM 212 CB THR A 14 -10.580 7.531 5.090 1.00 1.38 C ATOM 213 OG1 THR A 14 -11.462 8.610 5.417 1.00 1.79 O ATOM 214 CG2 THR A 14 -9.423 8.043 4.299 1.00 1.78 C ATOM 0 H THR A 14 -10.230 5.358 2.853 1.00 0.47 H new ATOM 0 HA THR A 14 -12.046 5.957 4.899 1.00 0.74 H new ATOM 0 HB THR A 14 -10.229 7.089 6.023 1.00 1.38 H new ATOM 0 HG1 THR A 14 -12.150 8.293 6.039 1.00 1.79 H new ATOM 0 HG21 THR A 14 -8.901 8.809 4.872 1.00 1.78 H new ATOM 0 HG22 THR A 14 -8.739 7.223 4.083 1.00 1.78 H new ATOM 0 HG23 THR A 14 -9.783 8.472 3.364 1.00 1.78 H new ATOM 222 N LEU A 15 -13.263 6.617 2.881 1.00 0.49 N ATOM 223 CA LEU A 15 -14.239 7.427 2.219 1.00 0.68 C ATOM 224 C LEU A 15 -14.970 8.168 3.318 1.00 0.84 C ATOM 225 O LEU A 15 -15.428 9.297 3.172 1.00 1.18 O ATOM 226 CB LEU A 15 -15.255 6.624 1.397 1.00 0.88 C ATOM 227 CG LEU A 15 -14.702 5.775 0.259 1.00 0.97 C ATOM 228 CD1 LEU A 15 -13.503 5.025 0.690 1.00 0.90 C ATOM 229 CD2 LEU A 15 -15.776 4.857 -0.296 1.00 1.39 C ATOM 0 H LEU A 15 -13.573 5.678 3.129 1.00 0.49 H new ATOM 0 HA LEU A 15 -13.734 8.081 1.508 1.00 0.68 H new ATOM 0 HB2 LEU A 15 -15.799 5.968 2.077 1.00 0.88 H new ATOM 0 HB3 LEU A 15 -15.980 7.322 0.979 1.00 0.88 H new ATOM 0 HG LEU A 15 -14.391 6.440 -0.547 1.00 0.97 H new ATOM 0 HD11 LEU A 15 -13.129 4.428 -0.142 1.00 0.90 H new ATOM 0 HD12 LEU A 15 -12.731 5.725 1.010 1.00 0.90 H new ATOM 0 HD13 LEU A 15 -13.763 4.368 1.520 1.00 0.90 H new ATOM 0 HD21 LEU A 15 -15.360 4.260 -1.107 1.00 1.39 H new ATOM 0 HD22 LEU A 15 -16.134 4.197 0.494 1.00 1.39 H new ATOM 0 HD23 LEU A 15 -16.606 5.454 -0.674 1.00 1.39 H new ATOM 241 N GLY A 16 -15.055 7.455 4.429 1.00 0.72 N ATOM 242 CA GLY A 16 -15.646 7.948 5.642 1.00 0.87 C ATOM 243 C GLY A 16 -16.048 6.791 6.528 1.00 0.77 C ATOM 244 O GLY A 16 -15.496 5.699 6.380 1.00 1.27 O ATOM 0 H GLY A 16 -14.706 6.500 4.505 1.00 0.72 H new ATOM 0 HA2 GLY A 16 -14.938 8.590 6.167 1.00 0.87 H new ATOM 0 HA3 GLY A 16 -16.518 8.559 5.409 1.00 0.87 H new ATOM 248 N PRO A 17 -17.006 6.985 7.441 1.00 0.67 N ATOM 249 CA PRO A 17 -17.393 5.963 8.425 1.00 0.76 C ATOM 250 C PRO A 17 -17.706 4.599 7.804 1.00 0.88 C ATOM 251 O PRO A 17 -18.467 4.505 6.839 1.00 1.27 O ATOM 252 CB PRO A 17 -18.649 6.553 9.069 1.00 1.02 C ATOM 253 CG PRO A 17 -18.507 8.024 8.897 1.00 1.42 C ATOM 254 CD PRO A 17 -17.798 8.220 7.588 1.00 1.13 C ATOM 0 HA PRO A 17 -16.580 5.761 9.122 1.00 0.76 H new ATOM 0 HB2 PRO A 17 -19.553 6.183 8.585 1.00 1.02 H new ATOM 0 HB3 PRO A 17 -18.718 6.282 10.123 1.00 1.02 H new ATOM 0 HG2 PRO A 17 -19.482 8.512 8.890 1.00 1.42 H new ATOM 0 HG3 PRO A 17 -17.938 8.460 9.718 1.00 1.42 H new ATOM 0 HD2 PRO A 17 -18.501 8.347 6.765 1.00 1.13 H new ATOM 0 HD3 PRO A 17 -17.163 9.106 7.604 1.00 1.13 H new ATOM 262 N SER A 18 -17.090 3.554 8.366 1.00 1.06 N ATOM 263 CA SER A 18 -17.356 2.163 7.986 1.00 1.31 C ATOM 264 C SER A 18 -16.843 1.822 6.584 1.00 1.10 C ATOM 265 O SER A 18 -17.416 0.977 5.896 1.00 1.50 O ATOM 266 CB SER A 18 -18.855 1.861 8.092 1.00 1.75 C ATOM 267 OG SER A 18 -19.350 2.170 9.387 1.00 2.18 O ATOM 0 H SER A 18 -16.389 3.650 9.101 1.00 1.06 H new ATOM 0 HA SER A 18 -16.806 1.533 8.685 1.00 1.31 H new ATOM 0 HB2 SER A 18 -19.399 2.438 7.344 1.00 1.75 H new ATOM 0 HB3 SER A 18 -19.033 0.808 7.873 1.00 1.75 H new ATOM 0 HG SER A 18 -20.308 1.970 9.427 1.00 2.18 H new ATOM 273 N ARG A 19 -15.769 2.473 6.159 1.00 0.81 N ATOM 274 CA ARG A 19 -15.094 2.082 4.924 1.00 0.66 C ATOM 275 C ARG A 19 -13.996 1.091 5.241 1.00 0.64 C ATOM 276 O ARG A 19 -12.970 1.461 5.805 1.00 1.02 O ATOM 277 CB ARG A 19 -14.495 3.282 4.193 1.00 0.68 C ATOM 278 CG ARG A 19 -15.423 3.955 3.206 1.00 1.15 C ATOM 279 CD ARG A 19 -16.745 4.402 3.823 1.00 1.94 C ATOM 280 NE ARG A 19 -17.759 3.347 3.825 1.00 2.51 N ATOM 281 CZ ARG A 19 -19.072 3.585 3.819 1.00 3.32 C ATOM 282 NH1 ARG A 19 -19.525 4.834 3.793 1.00 3.76 N ATOM 283 NH2 ARG A 19 -19.931 2.578 3.838 1.00 3.99 N ATOM 0 H ARG A 19 -15.348 3.266 6.643 1.00 0.81 H new ATOM 0 HA ARG A 19 -15.839 1.630 4.269 1.00 0.66 H new ATOM 0 HB2 ARG A 19 -14.179 4.018 4.932 1.00 0.68 H new ATOM 0 HB3 ARG A 19 -13.600 2.956 3.664 1.00 0.68 H new ATOM 0 HG2 ARG A 19 -14.919 4.822 2.778 1.00 1.15 H new ATOM 0 HG3 ARG A 19 -15.628 3.268 2.385 1.00 1.15 H new ATOM 0 HD2 ARG A 19 -16.569 4.732 4.847 1.00 1.94 H new ATOM 0 HD3 ARG A 19 -17.125 5.263 3.272 1.00 1.94 H new ATOM 0 HE ARG A 19 -17.445 2.377 3.831 1.00 2.51 H new ATOM 0 HH11 ARG A 19 -18.868 5.614 3.778 1.00 3.76 H new ATOM 0 HH12 ARG A 19 -20.529 5.012 3.788 1.00 3.76 H new ATOM 0 HH21 ARG A 19 -19.590 1.617 3.857 1.00 3.99 H new ATOM 0 HH22 ARG A 19 -20.934 2.763 3.833 1.00 3.99 H new ATOM 297 N ILE A 20 -14.215 -0.165 4.887 1.00 0.52 N ATOM 298 CA ILE A 20 -13.284 -1.218 5.249 1.00 0.51 C ATOM 299 C ILE A 20 -12.904 -2.066 4.046 1.00 0.54 C ATOM 300 O ILE A 20 -13.736 -2.776 3.480 1.00 0.76 O ATOM 301 CB ILE A 20 -13.856 -2.127 6.352 1.00 0.65 C ATOM 302 CG1 ILE A 20 -14.564 -1.275 7.405 1.00 0.78 C ATOM 303 CG2 ILE A 20 -12.752 -2.967 6.969 1.00 0.72 C ATOM 304 CD1 ILE A 20 -14.251 -1.643 8.830 1.00 0.83 C ATOM 0 H ILE A 20 -15.025 -0.478 4.352 1.00 0.52 H new ATOM 0 HA ILE A 20 -12.390 -0.723 5.629 1.00 0.51 H new ATOM 0 HB ILE A 20 -14.586 -2.810 5.917 1.00 0.65 H new ATOM 0 HG12 ILE A 20 -14.296 -0.230 7.247 1.00 0.78 H new ATOM 0 HG13 ILE A 20 -15.640 -1.354 7.252 1.00 0.78 H new ATOM 0 HG21 ILE A 20 -13.172 -3.605 7.747 1.00 0.72 H new ATOM 0 HG22 ILE A 20 -12.294 -3.588 6.199 1.00 0.72 H new ATOM 0 HG23 ILE A 20 -11.997 -2.312 7.404 1.00 0.72 H new ATOM 0 HD11 ILE A 20 -14.799 -0.985 9.504 1.00 0.83 H new ATOM 0 HD12 ILE A 20 -14.546 -2.676 9.012 1.00 0.83 H new ATOM 0 HD13 ILE A 20 -13.181 -1.535 9.007 1.00 0.83 H new ATOM 316 N LEU A 21 -11.645 -1.978 3.663 1.00 0.50 N ATOM 317 CA LEU A 21 -11.113 -2.766 2.561 1.00 0.55 C ATOM 318 C LEU A 21 -10.184 -3.837 3.114 1.00 0.52 C ATOM 319 O LEU A 21 -9.431 -3.584 4.048 1.00 0.75 O ATOM 320 CB LEU A 21 -10.364 -1.868 1.554 1.00 0.72 C ATOM 321 CG LEU A 21 -11.237 -1.119 0.534 1.00 1.39 C ATOM 322 CD1 LEU A 21 -12.064 -2.096 -0.288 1.00 2.23 C ATOM 323 CD2 LEU A 21 -12.136 -0.097 1.218 1.00 2.20 C ATOM 0 H LEU A 21 -10.962 -1.362 4.103 1.00 0.50 H new ATOM 0 HA LEU A 21 -11.939 -3.241 2.032 1.00 0.55 H new ATOM 0 HB2 LEU A 21 -9.785 -1.134 2.114 1.00 0.72 H new ATOM 0 HB3 LEU A 21 -9.652 -2.486 1.007 1.00 0.72 H new ATOM 0 HG LEU A 21 -10.571 -0.579 -0.139 1.00 1.39 H new ATOM 0 HD11 LEU A 21 -12.674 -1.544 -1.003 1.00 2.23 H new ATOM 0 HD12 LEU A 21 -11.400 -2.774 -0.824 1.00 2.23 H new ATOM 0 HD13 LEU A 21 -12.712 -2.671 0.374 1.00 2.23 H new ATOM 0 HD21 LEU A 21 -12.740 0.415 0.469 1.00 2.20 H new ATOM 0 HD22 LEU A 21 -12.790 -0.605 1.927 1.00 2.20 H new ATOM 0 HD23 LEU A 21 -11.522 0.631 1.748 1.00 2.20 H new ATOM 335 N GLN A 22 -10.257 -5.038 2.571 1.00 0.47 N ATOM 336 CA GLN A 22 -9.409 -6.117 3.015 1.00 0.47 C ATOM 337 C GLN A 22 -8.180 -6.206 2.118 1.00 0.42 C ATOM 338 O GLN A 22 -8.266 -6.682 0.985 1.00 0.51 O ATOM 339 CB GLN A 22 -10.192 -7.424 2.978 1.00 0.60 C ATOM 340 CG GLN A 22 -9.366 -8.617 3.389 1.00 0.71 C ATOM 341 CD GLN A 22 -10.089 -9.933 3.182 1.00 0.97 C ATOM 342 OE1 GLN A 22 -10.900 -10.075 2.265 1.00 1.69 O ATOM 343 NE2 GLN A 22 -9.814 -10.898 4.046 1.00 1.34 N ATOM 0 H GLN A 22 -10.899 -5.287 1.819 1.00 0.47 H new ATOM 0 HA GLN A 22 -9.081 -5.930 4.038 1.00 0.47 H new ATOM 0 HB2 GLN A 22 -11.056 -7.342 3.638 1.00 0.60 H new ATOM 0 HB3 GLN A 22 -10.575 -7.584 1.970 1.00 0.60 H new ATOM 0 HG2 GLN A 22 -8.438 -8.624 2.818 1.00 0.71 H new ATOM 0 HG3 GLN A 22 -9.093 -8.519 4.440 1.00 0.71 H new ATOM 0 HE21 GLN A 22 -9.135 -10.738 4.791 1.00 1.34 H new ATOM 0 HE22 GLN A 22 -10.281 -11.802 3.967 1.00 1.34 H new ATOM 352 N TYR A 23 -7.041 -5.746 2.614 1.00 0.42 N ATOM 353 CA TYR A 23 -5.838 -5.695 1.799 1.00 0.42 C ATOM 354 C TYR A 23 -4.925 -6.877 2.097 1.00 0.41 C ATOM 355 O TYR A 23 -4.634 -7.198 3.251 1.00 0.49 O ATOM 356 CB TYR A 23 -5.071 -4.372 1.964 1.00 0.52 C ATOM 357 CG TYR A 23 -4.273 -4.275 3.238 1.00 0.50 C ATOM 358 CD1 TYR A 23 -4.884 -4.382 4.474 1.00 0.54 C ATOM 359 CD2 TYR A 23 -2.901 -4.095 3.193 1.00 0.58 C ATOM 360 CE1 TYR A 23 -4.153 -4.318 5.638 1.00 0.61 C ATOM 361 CE2 TYR A 23 -2.154 -4.023 4.350 1.00 0.63 C ATOM 362 CZ TYR A 23 -2.783 -4.138 5.573 1.00 0.63 C ATOM 363 OH TYR A 23 -2.038 -4.084 6.728 1.00 0.74 O ATOM 0 H TYR A 23 -6.925 -5.406 3.569 1.00 0.42 H new ATOM 0 HA TYR A 23 -6.164 -5.754 0.760 1.00 0.42 H new ATOM 0 HB2 TYR A 23 -4.397 -4.248 1.116 1.00 0.52 H new ATOM 0 HB3 TYR A 23 -5.782 -3.546 1.930 1.00 0.52 H new ATOM 0 HD1 TYR A 23 -5.954 -4.518 4.527 1.00 0.54 H new ATOM 0 HD2 TYR A 23 -2.408 -4.010 2.236 1.00 0.58 H new ATOM 0 HE1 TYR A 23 -4.645 -4.408 6.595 1.00 0.61 H new ATOM 0 HE2 TYR A 23 -1.085 -3.878 4.299 1.00 0.63 H new ATOM 0 HH TYR A 23 -1.093 -3.954 6.502 1.00 0.74 H new ATOM 373 N HIS A 24 -4.507 -7.536 1.040 1.00 0.50 N ATOM 374 CA HIS A 24 -3.563 -8.625 1.126 1.00 0.57 C ATOM 375 C HIS A 24 -2.243 -8.196 0.546 1.00 0.60 C ATOM 376 O HIS A 24 -2.070 -8.205 -0.667 1.00 0.58 O ATOM 377 CB HIS A 24 -4.079 -9.830 0.356 1.00 0.61 C ATOM 378 CG HIS A 24 -3.104 -10.974 0.273 1.00 0.71 C ATOM 379 ND1 HIS A 24 -1.997 -11.099 1.100 1.00 0.75 N ATOM 380 CD2 HIS A 24 -3.067 -12.037 -0.562 1.00 0.85 C ATOM 381 CE1 HIS A 24 -1.332 -12.191 0.770 1.00 0.88 C ATOM 382 NE2 HIS A 24 -1.958 -12.773 -0.231 1.00 0.94 N ATOM 0 H HIS A 24 -4.815 -7.329 0.090 1.00 0.50 H new ATOM 0 HA HIS A 24 -3.436 -8.897 2.174 1.00 0.57 H new ATOM 0 HB2 HIS A 24 -4.996 -10.183 0.828 1.00 0.61 H new ATOM 0 HB3 HIS A 24 -4.341 -9.516 -0.655 1.00 0.61 H new ATOM 0 HD1 HIS A 24 -1.738 -10.451 1.844 1.00 0.75 H new ATOM 0 HD2 HIS A 24 -3.778 -12.264 -1.343 1.00 0.85 H new ATOM 0 HE1 HIS A 24 -0.428 -12.546 1.242 1.00 0.88 H new ATOM 391 N CYS A 25 -1.310 -7.832 1.386 1.00 0.71 N ATOM 392 CA CYS A 25 -0.042 -7.404 0.873 1.00 0.74 C ATOM 393 C CYS A 25 1.000 -8.490 1.006 1.00 0.91 C ATOM 394 O CYS A 25 1.620 -8.655 2.056 1.00 1.01 O ATOM 395 CB CYS A 25 0.387 -6.117 1.579 1.00 0.79 C ATOM 396 SG CYS A 25 1.424 -5.013 0.577 1.00 1.12 S ATOM 0 H CYS A 25 -1.402 -7.823 2.402 1.00 0.71 H new ATOM 0 HA CYS A 25 -0.142 -7.198 -0.193 1.00 0.74 H new ATOM 0 HB2 CYS A 25 -0.506 -5.573 1.889 1.00 0.79 H new ATOM 0 HB3 CYS A 25 0.931 -6.380 2.486 1.00 0.79 H new ATOM 401 N ARG A 26 1.125 -9.277 -0.064 1.00 1.14 N ATOM 402 CA ARG A 26 2.275 -10.111 -0.279 1.00 1.38 C ATOM 403 C ARG A 26 2.394 -10.502 -1.766 1.00 1.87 C ATOM 404 O ARG A 26 1.735 -11.399 -2.223 1.00 2.24 O ATOM 405 CB ARG A 26 2.185 -11.357 0.540 1.00 1.45 C ATOM 406 CG ARG A 26 3.457 -12.191 0.574 1.00 2.13 C ATOM 407 CD ARG A 26 3.287 -13.441 1.427 1.00 2.66 C ATOM 408 NE ARG A 26 2.221 -14.312 0.933 1.00 3.26 N ATOM 409 CZ ARG A 26 1.617 -15.246 1.671 1.00 4.00 C ATOM 410 NH1 ARG A 26 1.963 -15.423 2.941 1.00 4.21 N ATOM 411 NH2 ARG A 26 0.665 -16.003 1.138 1.00 4.86 N ATOM 0 H ARG A 26 0.421 -9.343 -0.799 1.00 1.14 H new ATOM 0 HA ARG A 26 3.155 -9.541 0.020 1.00 1.38 H new ATOM 0 HB2 ARG A 26 1.918 -11.085 1.561 1.00 1.45 H new ATOM 0 HB3 ARG A 26 1.374 -11.973 0.151 1.00 1.45 H new ATOM 0 HG2 ARG A 26 3.732 -12.478 -0.441 1.00 2.13 H new ATOM 0 HG3 ARG A 26 4.276 -11.590 0.968 1.00 2.13 H new ATOM 0 HD2 ARG A 26 4.226 -13.995 1.446 1.00 2.66 H new ATOM 0 HD3 ARG A 26 3.068 -13.150 2.454 1.00 2.66 H new ATOM 0 HE ARG A 26 1.921 -14.199 -0.035 1.00 3.26 H new ATOM 0 HH11 ARG A 26 2.693 -14.844 3.356 1.00 4.21 H new ATOM 0 HH12 ARG A 26 1.499 -16.138 3.501 1.00 4.21 H new ATOM 0 HH21 ARG A 26 0.394 -15.871 0.163 1.00 4.86 H new ATOM 0 HH22 ARG A 26 0.204 -16.716 1.703 1.00 4.86 H new ATOM 425 N SER A 27 3.155 -9.766 -2.500 1.00 2.10 N ATOM 426 CA SER A 27 3.573 -10.098 -3.885 1.00 2.66 C ATOM 427 C SER A 27 4.503 -9.025 -4.509 1.00 2.39 C ATOM 428 O SER A 27 4.037 -8.030 -5.038 1.00 2.70 O ATOM 429 CB SER A 27 2.365 -10.303 -4.795 1.00 3.73 C ATOM 430 OG SER A 27 1.355 -9.341 -4.535 1.00 4.43 O ATOM 0 H SER A 27 3.535 -8.878 -2.173 1.00 2.10 H new ATOM 0 HA SER A 27 4.137 -11.028 -3.807 1.00 2.66 H new ATOM 0 HB2 SER A 27 2.676 -10.234 -5.837 1.00 3.73 H new ATOM 0 HB3 SER A 27 1.962 -11.305 -4.648 1.00 3.73 H new ATOM 0 HG SER A 27 0.862 -9.594 -3.727 1.00 4.43 H new ATOM 436 N GLY A 28 5.797 -9.245 -4.466 1.00 2.45 N ATOM 437 CA GLY A 28 6.773 -8.359 -5.132 1.00 2.54 C ATOM 438 C GLY A 28 6.761 -6.866 -4.751 1.00 2.68 C ATOM 439 O GLY A 28 7.137 -6.023 -5.563 1.00 3.22 O ATOM 0 H GLY A 28 6.219 -10.034 -3.976 1.00 2.45 H new ATOM 0 HA2 GLY A 28 7.771 -8.748 -4.931 1.00 2.54 H new ATOM 0 HA3 GLY A 28 6.613 -8.432 -6.208 1.00 2.54 H new ATOM 443 N ASN A 29 6.365 -6.551 -3.524 1.00 2.60 N ATOM 444 CA ASN A 29 6.455 -5.197 -2.956 1.00 2.96 C ATOM 445 C ASN A 29 6.849 -5.210 -1.433 1.00 2.76 C ATOM 446 O ASN A 29 8.022 -5.359 -1.122 1.00 3.04 O ATOM 447 CB ASN A 29 5.153 -4.468 -3.235 1.00 3.49 C ATOM 448 CG ASN A 29 5.180 -3.775 -4.583 1.00 4.17 C ATOM 449 OD1 ASN A 29 5.573 -2.617 -4.690 1.00 4.66 O ATOM 450 ND2 ASN A 29 4.766 -4.484 -5.627 1.00 4.63 N ATOM 0 H ASN A 29 5.965 -7.234 -2.880 1.00 2.60 H new ATOM 0 HA ASN A 29 7.266 -4.653 -3.439 1.00 2.96 H new ATOM 0 HB2 ASN A 29 4.325 -5.176 -3.206 1.00 3.49 H new ATOM 0 HB3 ASN A 29 4.971 -3.733 -2.451 1.00 3.49 H new ATOM 0 HD21 ASN A 29 4.767 -4.069 -6.559 1.00 4.63 H new ATOM 0 HD22 ASN A 29 4.447 -5.444 -5.497 1.00 4.63 H new ATOM 457 N THR A 30 5.893 -5.172 -0.483 1.00 2.45 N ATOM 458 CA THR A 30 6.228 -5.255 0.970 1.00 2.33 C ATOM 459 C THR A 30 5.094 -5.905 1.825 1.00 2.07 C ATOM 460 O THR A 30 3.995 -5.376 1.910 1.00 2.10 O ATOM 461 CB THR A 30 6.587 -3.897 1.566 1.00 2.45 C ATOM 462 OG1 THR A 30 6.376 -2.865 0.615 1.00 2.93 O ATOM 463 CG2 THR A 30 8.035 -3.880 1.986 1.00 2.70 C ATOM 0 H THR A 30 4.896 -5.086 -0.681 1.00 2.45 H new ATOM 0 HA THR A 30 7.103 -5.903 1.013 1.00 2.33 H new ATOM 0 HB THR A 30 5.948 -3.729 2.433 1.00 2.45 H new ATOM 0 HG1 THR A 30 7.006 -2.971 -0.128 1.00 2.93 H new ATOM 0 HG21 THR A 30 8.280 -2.906 2.410 1.00 2.70 H new ATOM 0 HG22 THR A 30 8.206 -4.654 2.734 1.00 2.70 H new ATOM 0 HG23 THR A 30 8.668 -4.067 1.118 1.00 2.70 H new ATOM 471 N ASN A 31 5.402 -7.032 2.494 1.00 1.97 N ATOM 472 CA ASN A 31 4.385 -7.953 3.071 1.00 1.75 C ATOM 473 C ASN A 31 3.790 -7.474 4.376 1.00 1.78 C ATOM 474 O ASN A 31 4.463 -6.866 5.199 1.00 2.34 O ATOM 475 CB ASN A 31 5.004 -9.335 3.341 1.00 2.09 C ATOM 476 CG ASN A 31 4.069 -10.281 4.079 1.00 2.43 C ATOM 477 OD1 ASN A 31 3.225 -10.935 3.474 1.00 2.89 O ATOM 478 ND2 ASN A 31 4.227 -10.375 5.391 1.00 2.98 N ATOM 0 H ASN A 31 6.362 -7.337 2.654 1.00 1.97 H new ATOM 0 HA ASN A 31 3.592 -7.995 2.325 1.00 1.75 H new ATOM 0 HB2 ASN A 31 5.292 -9.788 2.392 1.00 2.09 H new ATOM 0 HB3 ASN A 31 5.916 -9.209 3.924 1.00 2.09 H new ATOM 0 HD21 ASN A 31 3.636 -11.007 5.932 1.00 2.98 H new ATOM 0 HD22 ASN A 31 4.939 -9.816 5.860 1.00 2.98 H new ATOM 485 N VAL A 32 2.520 -7.788 4.565 1.00 1.39 N ATOM 486 CA VAL A 32 1.908 -7.695 5.875 1.00 1.52 C ATOM 487 C VAL A 32 0.857 -8.768 6.126 1.00 1.38 C ATOM 488 O VAL A 32 0.511 -9.038 7.274 1.00 2.10 O ATOM 489 CB VAL A 32 1.317 -6.335 6.147 1.00 2.13 C ATOM 490 CG1 VAL A 32 2.348 -5.470 6.843 1.00 2.68 C ATOM 491 CG2 VAL A 32 0.934 -5.753 4.850 1.00 2.64 C ATOM 0 H VAL A 32 1.894 -8.109 3.826 1.00 1.39 H new ATOM 0 HA VAL A 32 2.730 -7.861 6.571 1.00 1.52 H new ATOM 0 HB VAL A 32 0.443 -6.404 6.795 1.00 2.13 H new ATOM 0 HG11 VAL A 32 1.923 -4.486 7.041 1.00 2.68 H new ATOM 0 HG12 VAL A 32 2.638 -5.936 7.785 1.00 2.68 H new ATOM 0 HG13 VAL A 32 3.225 -5.365 6.205 1.00 2.68 H new ATOM 0 HG21 VAL A 32 0.501 -4.765 5.008 1.00 2.64 H new ATOM 0 HG22 VAL A 32 1.816 -5.665 4.216 1.00 2.64 H new ATOM 0 HG23 VAL A 32 0.201 -6.397 4.365 1.00 2.64 H new ATOM 501 N GLY A 33 0.330 -9.374 5.065 1.00 1.00 N ATOM 502 CA GLY A 33 -0.660 -10.378 5.237 1.00 1.43 C ATOM 503 C GLY A 33 -1.963 -9.904 4.698 1.00 0.99 C ATOM 504 O GLY A 33 -2.006 -9.287 3.631 1.00 1.13 O ATOM 0 H GLY A 33 0.582 -9.175 4.097 1.00 1.00 H new ATOM 0 HA2 GLY A 33 -0.356 -11.292 4.726 1.00 1.43 H new ATOM 0 HA3 GLY A 33 -0.762 -10.623 6.294 1.00 1.43 H new ATOM 508 N VAL A 34 -3.020 -10.175 5.420 1.00 0.80 N ATOM 509 CA VAL A 34 -4.351 -9.906 4.933 1.00 0.56 C ATOM 510 C VAL A 34 -5.231 -9.405 6.062 1.00 0.63 C ATOM 511 O VAL A 34 -5.764 -10.194 6.843 1.00 1.03 O ATOM 512 CB VAL A 34 -4.955 -11.174 4.322 1.00 0.89 C ATOM 513 CG1 VAL A 34 -6.251 -10.853 3.590 1.00 1.17 C ATOM 514 CG2 VAL A 34 -3.935 -11.814 3.396 1.00 1.06 C ATOM 0 H VAL A 34 -2.985 -10.585 6.354 1.00 0.80 H new ATOM 0 HA VAL A 34 -4.293 -9.136 4.164 1.00 0.56 H new ATOM 0 HB VAL A 34 -5.201 -11.881 5.114 1.00 0.89 H new ATOM 0 HG11 VAL A 34 -6.664 -11.767 3.163 1.00 1.17 H new ATOM 0 HG12 VAL A 34 -6.968 -10.423 4.290 1.00 1.17 H new ATOM 0 HG13 VAL A 34 -6.051 -10.138 2.792 1.00 1.17 H new ATOM 0 HG21 VAL A 34 -4.358 -12.718 2.957 1.00 1.06 H new ATOM 0 HG22 VAL A 34 -3.674 -11.114 2.603 1.00 1.06 H new ATOM 0 HG23 VAL A 34 -3.040 -12.071 3.963 1.00 1.06 H new ATOM 524 N GLN A 35 -5.360 -8.098 6.158 1.00 0.63 N ATOM 525 CA GLN A 35 -6.125 -7.486 7.229 1.00 0.85 C ATOM 526 C GLN A 35 -7.194 -6.577 6.674 1.00 0.70 C ATOM 527 O GLN A 35 -7.257 -6.330 5.468 1.00 0.82 O ATOM 528 CB GLN A 35 -5.212 -6.686 8.154 1.00 1.45 C ATOM 529 CG GLN A 35 -4.463 -7.544 9.147 1.00 2.06 C ATOM 530 CD GLN A 35 -3.622 -6.724 10.104 1.00 2.71 C ATOM 531 OE1 GLN A 35 -4.077 -6.358 11.188 1.00 3.16 O ATOM 532 NE2 GLN A 35 -2.400 -6.411 9.703 1.00 3.28 N ATOM 0 H GLN A 35 -4.943 -7.435 5.505 1.00 0.63 H new ATOM 0 HA GLN A 35 -6.599 -8.287 7.797 1.00 0.85 H new ATOM 0 HB2 GLN A 35 -4.494 -6.130 7.551 1.00 1.45 H new ATOM 0 HB3 GLN A 35 -5.809 -5.953 8.696 1.00 1.45 H new ATOM 0 HG2 GLN A 35 -5.175 -8.142 9.715 1.00 2.06 H new ATOM 0 HG3 GLN A 35 -3.820 -8.240 8.608 1.00 2.06 H new ATOM 0 HE21 GLN A 35 -2.062 -6.735 8.797 1.00 3.28 H new ATOM 0 HE22 GLN A 35 -1.796 -5.846 10.300 1.00 3.28 H new ATOM 541 N TYR A 36 -8.038 -6.089 7.560 1.00 0.78 N ATOM 542 CA TYR A 36 -9.076 -5.157 7.165 1.00 0.73 C ATOM 543 C TYR A 36 -8.683 -3.741 7.513 1.00 0.78 C ATOM 544 O TYR A 36 -8.017 -3.487 8.517 1.00 1.06 O ATOM 545 CB TYR A 36 -10.426 -5.479 7.810 1.00 0.94 C ATOM 546 CG TYR A 36 -11.215 -6.563 7.116 1.00 1.62 C ATOM 547 CD1 TYR A 36 -10.653 -7.813 6.916 1.00 2.09 C ATOM 548 CD2 TYR A 36 -12.509 -6.347 6.668 1.00 2.13 C ATOM 549 CE1 TYR A 36 -11.350 -8.817 6.293 1.00 3.04 C ATOM 550 CE2 TYR A 36 -13.218 -7.349 6.039 1.00 3.13 C ATOM 551 CZ TYR A 36 -12.695 -8.524 5.828 1.00 3.57 C ATOM 552 OH TYR A 36 -13.336 -9.591 5.233 1.00 4.60 O ATOM 0 H TYR A 36 -8.027 -6.320 8.553 1.00 0.78 H new ATOM 0 HA TYR A 36 -9.186 -5.256 6.085 1.00 0.73 H new ATOM 0 HB2 TYR A 36 -10.257 -5.778 8.845 1.00 0.94 H new ATOM 0 HB3 TYR A 36 -11.027 -4.570 7.835 1.00 0.94 H new ATOM 0 HD1 TYR A 36 -9.646 -8.001 7.257 1.00 2.09 H new ATOM 0 HD2 TYR A 36 -12.968 -5.380 6.814 1.00 2.13 H new ATOM 0 HE1 TYR A 36 -10.913 -9.794 6.153 1.00 3.04 H new ATOM 0 HE2 TYR A 36 -14.230 -7.156 5.714 1.00 3.13 H new ATOM 0 HH TYR A 36 -14.233 -9.317 4.949 1.00 4.60 H new ATOM 562 N LEU A 37 -9.122 -2.831 6.678 1.00 0.72 N ATOM 563 CA LEU A 37 -8.793 -1.436 6.811 1.00 0.89 C ATOM 564 C LEU A 37 -9.992 -0.662 7.328 1.00 0.70 C ATOM 565 O LEU A 37 -10.882 -0.317 6.559 1.00 0.61 O ATOM 566 CB LEU A 37 -8.385 -0.905 5.444 1.00 1.23 C ATOM 567 CG LEU A 37 -7.212 -1.621 4.789 1.00 1.93 C ATOM 568 CD1 LEU A 37 -7.114 -1.233 3.324 1.00 2.72 C ATOM 569 CD2 LEU A 37 -5.924 -1.291 5.522 1.00 2.57 C ATOM 0 H LEU A 37 -9.723 -3.041 5.881 1.00 0.72 H new ATOM 0 HA LEU A 37 -7.974 -1.316 7.520 1.00 0.89 H new ATOM 0 HB2 LEU A 37 -9.245 -0.967 4.777 1.00 1.23 H new ATOM 0 HB3 LEU A 37 -8.135 0.151 5.543 1.00 1.23 H new ATOM 0 HG LEU A 37 -7.374 -2.697 4.848 1.00 1.93 H new ATOM 0 HD11 LEU A 37 -6.272 -1.751 2.866 1.00 2.72 H new ATOM 0 HD12 LEU A 37 -8.034 -1.513 2.811 1.00 2.72 H new ATOM 0 HD13 LEU A 37 -6.966 -0.156 3.242 1.00 2.72 H new ATOM 0 HD21 LEU A 37 -5.091 -1.808 5.045 1.00 2.57 H new ATOM 0 HD22 LEU A 37 -5.751 -0.215 5.487 1.00 2.57 H new ATOM 0 HD23 LEU A 37 -6.004 -1.612 6.561 1.00 2.57 H new ATOM 581 N ASN A 38 -10.019 -0.391 8.621 1.00 0.78 N ATOM 582 CA ASN A 38 -11.129 0.340 9.215 1.00 0.73 C ATOM 583 C ASN A 38 -10.871 1.825 9.209 1.00 0.68 C ATOM 584 O ASN A 38 -9.778 2.278 9.554 1.00 0.75 O ATOM 585 CB ASN A 38 -11.424 -0.125 10.639 1.00 0.94 C ATOM 586 CG ASN A 38 -10.184 -0.523 11.420 1.00 1.62 C ATOM 587 OD1 ASN A 38 -9.554 0.305 12.077 1.00 2.32 O ATOM 588 ND2 ASN A 38 -9.832 -1.801 11.366 1.00 2.29 N ATOM 0 H ASN A 38 -9.289 -0.664 9.279 1.00 0.78 H new ATOM 0 HA ASN A 38 -12.004 0.129 8.600 1.00 0.73 H new ATOM 0 HB2 ASN A 38 -11.938 0.674 11.173 1.00 0.94 H new ATOM 0 HB3 ASN A 38 -12.107 -0.974 10.601 1.00 0.94 H new ATOM 0 HD21 ASN A 38 -9.014 -2.127 11.880 1.00 2.29 H new ATOM 0 HD22 ASN A 38 -10.380 -2.458 10.810 1.00 2.29 H new ATOM 595 N PHE A 39 -11.919 2.560 8.852 1.00 0.68 N ATOM 596 CA PHE A 39 -11.846 4.012 8.628 1.00 0.72 C ATOM 597 C PHE A 39 -11.167 4.729 9.791 1.00 0.83 C ATOM 598 O PHE A 39 -11.257 4.286 10.933 1.00 1.66 O ATOM 599 CB PHE A 39 -13.243 4.585 8.366 1.00 0.85 C ATOM 600 CG PHE A 39 -13.379 6.070 8.616 1.00 1.07 C ATOM 601 CD1 PHE A 39 -12.903 6.969 7.674 1.00 1.35 C ATOM 602 CD2 PHE A 39 -13.977 6.575 9.775 1.00 1.43 C ATOM 603 CE1 PHE A 39 -13.013 8.330 7.868 1.00 1.80 C ATOM 604 CE2 PHE A 39 -14.085 7.941 9.967 1.00 1.87 C ATOM 605 CZ PHE A 39 -13.657 8.790 9.136 1.00 2.03 C ATOM 0 H PHE A 39 -12.850 2.170 8.707 1.00 0.68 H new ATOM 0 HA PHE A 39 -11.232 4.182 7.744 1.00 0.72 H new ATOM 0 HB2 PHE A 39 -13.516 4.379 7.331 1.00 0.85 H new ATOM 0 HB3 PHE A 39 -13.960 4.058 8.996 1.00 0.85 H new ATOM 0 HD1 PHE A 39 -12.438 6.597 6.773 1.00 1.35 H new ATOM 0 HD2 PHE A 39 -14.356 5.895 10.524 1.00 1.43 H new ATOM 0 HE1 PHE A 39 -12.649 9.034 7.134 1.00 1.80 H new ATOM 0 HE2 PHE A 39 -14.558 8.298 10.870 1.00 1.87 H new ATOM 0 HZ PHE A 39 -13.756 9.846 9.341 1.00 2.03 H new ATOM 615 N LYS A 40 -10.526 5.855 9.461 1.00 0.86 N ATOM 616 CA LYS A 40 -9.615 6.591 10.343 1.00 0.97 C ATOM 617 C LYS A 40 -8.537 5.694 10.913 1.00 0.72 C ATOM 618 O LYS A 40 -8.719 5.006 11.919 1.00 1.17 O ATOM 619 CB LYS A 40 -10.295 7.391 11.471 1.00 1.52 C ATOM 620 CG LYS A 40 -11.082 6.592 12.499 1.00 2.18 C ATOM 621 CD LYS A 40 -11.637 7.489 13.593 1.00 2.89 C ATOM 622 CE LYS A 40 -12.128 6.677 14.781 1.00 3.36 C ATOM 623 NZ LYS A 40 -13.195 5.716 14.402 1.00 3.76 N ATOM 0 H LYS A 40 -10.630 6.292 8.545 1.00 0.86 H new ATOM 0 HA LYS A 40 -9.162 7.335 9.688 1.00 0.97 H new ATOM 0 HB2 LYS A 40 -9.527 7.958 11.997 1.00 1.52 H new ATOM 0 HB3 LYS A 40 -10.969 8.116 11.015 1.00 1.52 H new ATOM 0 HG2 LYS A 40 -11.901 6.068 12.006 1.00 2.18 H new ATOM 0 HG3 LYS A 40 -10.438 5.832 12.942 1.00 2.18 H new ATOM 0 HD2 LYS A 40 -10.865 8.186 13.921 1.00 2.89 H new ATOM 0 HD3 LYS A 40 -12.457 8.086 13.195 1.00 2.89 H new ATOM 0 HE2 LYS A 40 -11.291 6.133 15.218 1.00 3.36 H new ATOM 0 HE3 LYS A 40 -12.506 7.352 15.549 1.00 3.36 H new ATOM 0 HZ1 LYS A 40 -13.604 5.295 15.261 1.00 3.76 H new ATOM 0 HZ2 LYS A 40 -13.938 6.214 13.872 1.00 3.76 H new ATOM 0 HZ3 LYS A 40 -12.790 4.965 13.808 1.00 3.76 H new ATOM 637 N GLY A 41 -7.402 5.710 10.255 1.00 0.71 N ATOM 638 CA GLY A 41 -6.285 4.958 10.729 1.00 1.13 C ATOM 639 C GLY A 41 -5.518 4.309 9.603 1.00 0.94 C ATOM 640 O GLY A 41 -6.104 3.841 8.627 1.00 1.09 O ATOM 0 H GLY A 41 -7.237 6.235 9.396 1.00 0.71 H new ATOM 0 HA2 GLY A 41 -5.619 5.614 11.290 1.00 1.13 H new ATOM 0 HA3 GLY A 41 -6.633 4.190 11.420 1.00 1.13 H new ATOM 644 N THR A 42 -4.210 4.302 9.735 1.00 0.82 N ATOM 645 CA THR A 42 -3.329 3.741 8.730 1.00 0.68 C ATOM 646 C THR A 42 -2.961 2.307 9.068 1.00 0.65 C ATOM 647 O THR A 42 -2.995 1.902 10.231 1.00 0.75 O ATOM 648 CB THR A 42 -2.046 4.575 8.636 1.00 0.69 C ATOM 649 OG1 THR A 42 -1.678 5.051 9.937 1.00 0.81 O ATOM 650 CG2 THR A 42 -2.247 5.742 7.700 1.00 0.71 C ATOM 0 H THR A 42 -3.724 4.686 10.545 1.00 0.82 H new ATOM 0 HA THR A 42 -3.855 3.756 7.776 1.00 0.68 H new ATOM 0 HB THR A 42 -1.246 3.946 8.245 1.00 0.69 H new ATOM 0 HG1 THR A 42 -0.781 5.443 9.900 1.00 0.81 H new ATOM 0 HG21 THR A 42 -1.328 6.325 7.643 1.00 0.71 H new ATOM 0 HG22 THR A 42 -2.504 5.372 6.707 1.00 0.71 H new ATOM 0 HG23 THR A 42 -3.054 6.372 8.073 1.00 0.71 H new ATOM 658 N ARG A 43 -2.603 1.550 8.052 1.00 0.58 N ATOM 659 CA ARG A 43 -2.126 0.196 8.233 1.00 0.58 C ATOM 660 C ARG A 43 -0.730 0.147 7.662 1.00 0.52 C ATOM 661 O ARG A 43 -0.549 0.232 6.447 1.00 0.50 O ATOM 662 CB ARG A 43 -3.034 -0.807 7.523 1.00 0.67 C ATOM 663 CG ARG A 43 -3.538 -1.930 8.421 1.00 0.86 C ATOM 664 CD ARG A 43 -4.757 -1.518 9.239 1.00 1.27 C ATOM 665 NE ARG A 43 -4.476 -0.426 10.169 1.00 1.59 N ATOM 666 CZ ARG A 43 -5.123 -0.241 11.317 1.00 2.26 C ATOM 667 NH1 ARG A 43 -6.039 -1.116 11.718 1.00 2.74 N ATOM 668 NH2 ARG A 43 -4.840 0.816 12.068 1.00 3.01 N ATOM 0 H ARG A 43 -2.635 1.856 7.079 1.00 0.58 H new ATOM 0 HA ARG A 43 -2.127 -0.073 9.289 1.00 0.58 H new ATOM 0 HB2 ARG A 43 -3.890 -0.276 7.108 1.00 0.67 H new ATOM 0 HB3 ARG A 43 -2.491 -1.242 6.684 1.00 0.67 H new ATOM 0 HG2 ARG A 43 -3.791 -2.796 7.809 1.00 0.86 H new ATOM 0 HG3 ARG A 43 -2.739 -2.239 9.095 1.00 0.86 H new ATOM 0 HD2 ARG A 43 -5.557 -1.216 8.563 1.00 1.27 H new ATOM 0 HD3 ARG A 43 -5.121 -2.380 9.798 1.00 1.27 H new ATOM 0 HE ARG A 43 -3.739 0.235 9.923 1.00 1.59 H new ATOM 0 HH11 ARG A 43 -6.249 -1.933 11.145 1.00 2.74 H new ATOM 0 HH12 ARG A 43 -6.532 -0.970 12.599 1.00 2.74 H new ATOM 0 HH21 ARG A 43 -4.130 1.482 11.764 1.00 3.01 H new ATOM 0 HH22 ARG A 43 -5.333 0.963 12.949 1.00 3.01 H new ATOM 682 N ILE A 44 0.255 0.041 8.528 1.00 0.52 N ATOM 683 CA ILE A 44 1.606 0.346 8.121 1.00 0.51 C ATOM 684 C ILE A 44 2.484 -0.877 7.999 1.00 0.58 C ATOM 685 O ILE A 44 2.579 -1.706 8.902 1.00 0.66 O ATOM 686 CB ILE A 44 2.278 1.368 9.055 1.00 0.53 C ATOM 687 CG1 ILE A 44 1.432 2.630 9.136 1.00 0.56 C ATOM 688 CG2 ILE A 44 3.654 1.722 8.532 1.00 0.59 C ATOM 689 CD1 ILE A 44 0.387 2.603 10.228 1.00 0.61 C ATOM 0 H ILE A 44 0.148 -0.249 9.500 1.00 0.52 H new ATOM 0 HA ILE A 44 1.505 0.784 7.128 1.00 0.51 H new ATOM 0 HB ILE A 44 2.371 0.927 10.048 1.00 0.53 H new ATOM 0 HG12 ILE A 44 2.089 3.485 9.297 1.00 0.56 H new ATOM 0 HG13 ILE A 44 0.937 2.785 8.177 1.00 0.56 H new ATOM 0 HG21 ILE A 44 4.122 2.446 9.199 1.00 0.59 H new ATOM 0 HG22 ILE A 44 4.268 0.822 8.485 1.00 0.59 H new ATOM 0 HG23 ILE A 44 3.564 2.153 7.535 1.00 0.59 H new ATOM 0 HD11 ILE A 44 -0.173 3.538 10.219 1.00 0.61 H new ATOM 0 HD12 ILE A 44 -0.295 1.770 10.058 1.00 0.61 H new ATOM 0 HD13 ILE A 44 0.875 2.481 11.195 1.00 0.61 H new ATOM 701 N ILE A 45 3.107 -0.957 6.848 1.00 0.61 N ATOM 702 CA ILE A 45 4.107 -1.944 6.548 1.00 0.74 C ATOM 703 C ILE A 45 5.483 -1.373 6.770 1.00 0.77 C ATOM 704 O ILE A 45 5.649 -0.155 6.779 1.00 0.79 O ATOM 705 CB ILE A 45 3.991 -2.347 5.109 1.00 0.95 C ATOM 706 CG1 ILE A 45 2.592 -2.731 4.851 1.00 1.11 C ATOM 707 CG2 ILE A 45 4.910 -3.491 4.758 1.00 1.62 C ATOM 708 CD1 ILE A 45 2.305 -2.863 3.400 1.00 1.20 C ATOM 0 H ILE A 45 2.925 -0.317 6.075 1.00 0.61 H new ATOM 0 HA ILE A 45 3.956 -2.804 7.200 1.00 0.74 H new ATOM 0 HB ILE A 45 4.287 -1.502 4.487 1.00 0.95 H new ATOM 0 HG12 ILE A 45 2.379 -3.677 5.349 1.00 1.11 H new ATOM 0 HG13 ILE A 45 1.926 -1.985 5.285 1.00 1.11 H new ATOM 0 HG21 ILE A 45 4.788 -3.745 3.705 1.00 1.62 H new ATOM 0 HG22 ILE A 45 5.943 -3.198 4.944 1.00 1.62 H new ATOM 0 HG23 ILE A 45 4.663 -4.357 5.371 1.00 1.62 H new ATOM 0 HD11 ILE A 45 1.262 -3.147 3.260 1.00 1.20 H new ATOM 0 HD12 ILE A 45 2.491 -1.910 2.904 1.00 1.20 H new ATOM 0 HD13 ILE A 45 2.951 -3.628 2.970 1.00 1.20 H new ATOM 720 N LYS A 46 6.467 -2.230 6.923 1.00 0.90 N ATOM 721 CA LYS A 46 7.841 -1.754 6.992 1.00 0.97 C ATOM 722 C LYS A 46 8.867 -2.858 6.775 1.00 1.10 C ATOM 723 O LYS A 46 8.851 -3.900 7.436 1.00 1.20 O ATOM 724 CB LYS A 46 8.112 -1.033 8.315 1.00 1.10 C ATOM 725 CG LYS A 46 7.846 -1.873 9.555 1.00 1.35 C ATOM 726 CD LYS A 46 8.113 -1.084 10.829 1.00 1.85 C ATOM 727 CE LYS A 46 7.167 0.101 10.967 1.00 2.11 C ATOM 728 NZ LYS A 46 7.429 0.880 12.205 1.00 2.65 N ATOM 0 H LYS A 46 6.353 -3.241 7.001 1.00 0.90 H new ATOM 0 HA LYS A 46 7.954 -1.046 6.171 1.00 0.97 H new ATOM 0 HB2 LYS A 46 9.151 -0.705 8.330 1.00 1.10 H new ATOM 0 HB3 LYS A 46 7.494 -0.136 8.359 1.00 1.10 H new ATOM 0 HG2 LYS A 46 6.812 -2.217 9.548 1.00 1.35 H new ATOM 0 HG3 LYS A 46 8.477 -2.761 9.537 1.00 1.35 H new ATOM 0 HD2 LYS A 46 8.003 -1.740 11.693 1.00 1.85 H new ATOM 0 HD3 LYS A 46 9.143 -0.729 10.828 1.00 1.85 H new ATOM 0 HE2 LYS A 46 7.273 0.752 10.099 1.00 2.11 H new ATOM 0 HE3 LYS A 46 6.137 -0.256 10.974 1.00 2.11 H new ATOM 0 HZ1 LYS A 46 6.764 1.677 12.261 1.00 2.65 H new ATOM 0 HZ2 LYS A 46 7.303 0.266 13.035 1.00 2.65 H new ATOM 0 HZ3 LYS A 46 8.404 1.243 12.187 1.00 2.65 H new ATOM 742 N PHE A 47 9.767 -2.589 5.844 1.00 1.20 N ATOM 743 CA PHE A 47 10.859 -3.488 5.479 1.00 1.41 C ATOM 744 C PHE A 47 12.050 -2.595 5.142 1.00 1.59 C ATOM 745 O PHE A 47 12.047 -1.883 4.135 1.00 1.68 O ATOM 746 CB PHE A 47 10.491 -4.417 4.292 1.00 1.50 C ATOM 747 CG PHE A 47 9.423 -5.446 4.593 1.00 1.87 C ATOM 748 CD1 PHE A 47 8.115 -5.062 4.832 1.00 2.53 C ATOM 749 CD2 PHE A 47 9.727 -6.799 4.615 1.00 2.17 C ATOM 750 CE1 PHE A 47 7.136 -5.990 5.093 1.00 3.14 C ATOM 751 CE2 PHE A 47 8.750 -7.737 4.878 1.00 2.69 C ATOM 752 CZ PHE A 47 7.454 -7.332 5.119 1.00 3.10 C ATOM 0 H PHE A 47 9.762 -1.722 5.307 1.00 1.20 H new ATOM 0 HA PHE A 47 11.088 -4.163 6.304 1.00 1.41 H new ATOM 0 HB2 PHE A 47 10.156 -3.800 3.458 1.00 1.50 H new ATOM 0 HB3 PHE A 47 11.392 -4.936 3.963 1.00 1.50 H new ATOM 0 HD1 PHE A 47 7.859 -4.013 4.813 1.00 2.53 H new ATOM 0 HD2 PHE A 47 10.740 -7.122 4.424 1.00 2.17 H new ATOM 0 HE1 PHE A 47 6.121 -5.670 5.277 1.00 3.14 H new ATOM 0 HE2 PHE A 47 9.000 -8.788 4.895 1.00 2.69 H new ATOM 0 HZ PHE A 47 6.689 -8.065 5.328 1.00 3.10 H new ATOM 762 N LYS A 48 13.046 -2.614 6.006 1.00 1.83 N ATOM 763 CA LYS A 48 14.040 -1.548 6.066 1.00 2.13 C ATOM 764 C LYS A 48 15.460 -2.072 5.871 1.00 2.50 C ATOM 765 O LYS A 48 16.421 -1.564 6.456 1.00 3.01 O ATOM 766 CB LYS A 48 13.878 -0.810 7.394 1.00 2.46 C ATOM 767 CG LYS A 48 14.082 -1.668 8.642 1.00 3.10 C ATOM 768 CD LYS A 48 12.820 -2.433 9.024 1.00 3.81 C ATOM 769 CE LYS A 48 13.037 -3.296 10.257 1.00 4.36 C ATOM 770 NZ LYS A 48 13.354 -2.483 11.463 1.00 4.90 N ATOM 0 H LYS A 48 13.193 -3.361 6.684 1.00 1.83 H new ATOM 0 HA LYS A 48 13.872 -0.853 5.243 1.00 2.13 H new ATOM 0 HB2 LYS A 48 14.587 0.017 7.421 1.00 2.46 H new ATOM 0 HB3 LYS A 48 12.879 -0.375 7.431 1.00 2.46 H new ATOM 0 HG2 LYS A 48 14.894 -2.374 8.468 1.00 3.10 H new ATOM 0 HG3 LYS A 48 14.385 -1.032 9.473 1.00 3.10 H new ATOM 0 HD2 LYS A 48 12.010 -1.728 9.211 1.00 3.81 H new ATOM 0 HD3 LYS A 48 12.509 -3.062 8.190 1.00 3.81 H new ATOM 0 HE2 LYS A 48 12.142 -3.889 10.446 1.00 4.36 H new ATOM 0 HE3 LYS A 48 13.850 -3.997 10.069 1.00 4.36 H new ATOM 0 HZ1 LYS A 48 13.310 -3.086 12.309 1.00 4.90 H new ATOM 0 HZ2 LYS A 48 14.310 -2.084 11.371 1.00 4.90 H new ATOM 0 HZ3 LYS A 48 12.663 -1.711 11.552 1.00 4.90 H new ATOM 879 N ARG A 56 9.776 -8.313 -0.950 1.00 3.37 N ATOM 880 CA ARG A 56 8.966 -8.122 -2.115 1.00 2.70 C ATOM 881 C ARG A 56 7.582 -8.776 -1.986 1.00 2.24 C ATOM 882 O ARG A 56 7.396 -9.958 -2.273 1.00 2.47 O ATOM 883 CB ARG A 56 9.770 -8.632 -3.288 1.00 3.43 C ATOM 884 CG ARG A 56 10.122 -10.113 -3.239 1.00 4.15 C ATOM 885 CD ARG A 56 11.172 -10.474 -4.278 1.00 4.75 C ATOM 886 NE ARG A 56 10.808 -10.019 -5.621 1.00 5.53 N ATOM 887 CZ ARG A 56 11.687 -9.843 -6.606 1.00 6.18 C ATOM 888 NH1 ARG A 56 12.969 -10.126 -6.414 1.00 6.21 N ATOM 889 NH2 ARG A 56 11.282 -9.395 -7.787 1.00 7.08 N ATOM 0 HA ARG A 56 8.734 -7.067 -2.258 1.00 2.70 H new ATOM 0 HB2 ARG A 56 9.210 -8.438 -4.203 1.00 3.43 H new ATOM 0 HB3 ARG A 56 10.694 -8.057 -3.352 1.00 3.43 H new ATOM 0 HG2 ARG A 56 10.490 -10.367 -2.245 1.00 4.15 H new ATOM 0 HG3 ARG A 56 9.224 -10.707 -3.407 1.00 4.15 H new ATOM 0 HD2 ARG A 56 12.127 -10.032 -3.994 1.00 4.75 H new ATOM 0 HD3 ARG A 56 11.312 -11.555 -4.289 1.00 4.75 H new ATOM 0 HE ARG A 56 9.825 -9.826 -5.813 1.00 5.53 H new ATOM 0 HH11 ARG A 56 13.283 -10.479 -5.510 1.00 6.21 H new ATOM 0 HH12 ARG A 56 13.640 -9.990 -7.170 1.00 6.21 H new ATOM 0 HH21 ARG A 56 10.296 -9.185 -7.942 1.00 7.08 H new ATOM 0 HH22 ARG A 56 11.957 -9.261 -8.540 1.00 7.08 H new ATOM 903 N TRP A 57 6.596 -7.969 -1.533 1.00 1.83 N ATOM 904 CA TRP A 57 5.233 -8.445 -1.287 1.00 1.49 C ATOM 905 C TRP A 57 4.092 -7.309 -1.398 1.00 1.19 C ATOM 906 O TRP A 57 3.872 -6.582 -0.471 1.00 1.43 O ATOM 907 CB TRP A 57 5.228 -9.085 0.104 1.00 1.69 C ATOM 908 CG TRP A 57 6.603 -9.386 0.694 1.00 1.83 C ATOM 909 CD1 TRP A 57 7.478 -8.478 1.209 1.00 1.56 C ATOM 910 CD2 TRP A 57 7.245 -10.663 0.846 1.00 2.78 C ATOM 911 NE1 TRP A 57 8.615 -9.074 1.647 1.00 1.85 N ATOM 912 CE2 TRP A 57 8.504 -10.426 1.444 1.00 2.70 C ATOM 913 CE3 TRP A 57 6.888 -11.976 0.535 1.00 3.91 C ATOM 914 CZ2 TRP A 57 9.396 -11.453 1.731 1.00 3.65 C ATOM 915 CZ3 TRP A 57 7.776 -12.993 0.823 1.00 4.90 C ATOM 916 CH2 TRP A 57 9.016 -12.728 1.416 1.00 4.75 C ATOM 0 H TRP A 57 6.730 -6.978 -1.332 1.00 1.83 H new ATOM 0 HA TRP A 57 4.976 -9.158 -2.071 1.00 1.49 H new ATOM 0 HB2 TRP A 57 4.696 -8.423 0.787 1.00 1.69 H new ATOM 0 HB3 TRP A 57 4.662 -10.015 0.055 1.00 1.69 H new ATOM 0 HD1 TRP A 57 7.290 -7.416 1.262 1.00 1.56 H new ATOM 0 HE1 TRP A 57 9.417 -8.597 2.058 1.00 1.85 H new ATOM 0 HE3 TRP A 57 5.934 -12.192 0.077 1.00 3.91 H new ATOM 0 HZ2 TRP A 57 10.354 -11.251 2.186 1.00 3.65 H new ATOM 0 HZ3 TRP A 57 7.509 -14.012 0.586 1.00 4.90 H new ATOM 0 HH2 TRP A 57 9.686 -13.548 1.629 1.00 4.75 H new ATOM 927 N ASN A 58 3.268 -7.273 -2.492 1.00 0.91 N ATOM 928 CA ASN A 58 2.341 -6.118 -2.822 1.00 0.71 C ATOM 929 C ASN A 58 0.927 -6.298 -2.229 1.00 0.59 C ATOM 930 O ASN A 58 0.503 -7.419 -1.960 1.00 0.71 O ATOM 931 CB ASN A 58 2.235 -5.999 -4.356 1.00 0.74 C ATOM 932 CG ASN A 58 0.817 -5.851 -4.883 1.00 1.23 C ATOM 933 OD1 ASN A 58 0.309 -4.745 -5.013 1.00 2.05 O ATOM 934 ND2 ASN A 58 0.180 -6.968 -5.200 1.00 1.91 N ATOM 0 H ASN A 58 3.221 -8.033 -3.171 1.00 0.91 H new ATOM 0 HA ASN A 58 2.762 -5.216 -2.379 1.00 0.71 H new ATOM 0 HB2 ASN A 58 2.821 -5.140 -4.682 1.00 0.74 H new ATOM 0 HB3 ASN A 58 2.686 -6.882 -4.808 1.00 0.74 H new ATOM 0 HD21 ASN A 58 -0.770 -6.926 -5.568 1.00 1.91 H new ATOM 0 HD22 ASN A 58 0.640 -7.870 -5.076 1.00 1.91 H new ATOM 941 N CYS A 59 0.195 -5.173 -2.075 1.00 0.55 N ATOM 942 CA CYS A 59 -1.084 -5.139 -1.345 1.00 0.50 C ATOM 943 C CYS A 59 -2.257 -5.262 -2.313 1.00 0.44 C ATOM 944 O CYS A 59 -2.278 -4.620 -3.356 1.00 0.56 O ATOM 945 CB CYS A 59 -1.206 -3.830 -0.537 1.00 0.60 C ATOM 946 SG CYS A 59 0.312 -3.323 0.353 1.00 0.76 S ATOM 0 H CYS A 59 0.476 -4.268 -2.453 1.00 0.55 H new ATOM 0 HA CYS A 59 -1.107 -5.984 -0.657 1.00 0.50 H new ATOM 0 HB2 CYS A 59 -1.496 -3.028 -1.216 1.00 0.60 H new ATOM 0 HB3 CYS A 59 -2.013 -3.942 0.187 1.00 0.60 H new ATOM 951 N LEU A 60 -3.237 -6.090 -1.966 1.00 0.36 N ATOM 952 CA LEU A 60 -4.349 -6.350 -2.853 1.00 0.34 C ATOM 953 C LEU A 60 -5.645 -6.191 -2.077 1.00 0.29 C ATOM 954 O LEU A 60 -5.888 -6.921 -1.122 1.00 0.32 O ATOM 955 CB LEU A 60 -4.213 -7.767 -3.416 1.00 0.44 C ATOM 956 CG LEU A 60 -5.221 -8.166 -4.492 1.00 1.27 C ATOM 957 CD1 LEU A 60 -5.059 -7.309 -5.734 1.00 1.90 C ATOM 958 CD2 LEU A 60 -5.060 -9.638 -4.836 1.00 1.85 C ATOM 0 H LEU A 60 -3.278 -6.588 -1.077 1.00 0.36 H new ATOM 0 HA LEU A 60 -4.354 -5.645 -3.685 1.00 0.34 H new ATOM 0 HB2 LEU A 60 -3.210 -7.877 -3.829 1.00 0.44 H new ATOM 0 HB3 LEU A 60 -4.297 -8.473 -2.590 1.00 0.44 H new ATOM 0 HG LEU A 60 -6.225 -8.002 -4.101 1.00 1.27 H new ATOM 0 HD11 LEU A 60 -5.789 -7.614 -6.484 1.00 1.90 H new ATOM 0 HD12 LEU A 60 -5.219 -6.262 -5.477 1.00 1.90 H new ATOM 0 HD13 LEU A 60 -4.053 -7.435 -6.134 1.00 1.90 H new ATOM 0 HD21 LEU A 60 -5.783 -9.913 -5.604 1.00 1.85 H new ATOM 0 HD22 LEU A 60 -4.051 -9.817 -5.207 1.00 1.85 H new ATOM 0 HD23 LEU A 60 -5.231 -10.241 -3.944 1.00 1.85 H new ATOM 970 N PHE A 61 -6.485 -5.263 -2.490 1.00 0.29 N ATOM 971 CA PHE A 61 -7.672 -4.939 -1.708 1.00 0.28 C ATOM 972 C PHE A 61 -8.867 -5.697 -2.269 1.00 0.37 C ATOM 973 O PHE A 61 -9.183 -5.567 -3.448 1.00 0.48 O ATOM 974 CB PHE A 61 -8.004 -3.432 -1.745 1.00 0.32 C ATOM 975 CG PHE A 61 -6.975 -2.481 -1.192 1.00 0.30 C ATOM 976 CD1 PHE A 61 -5.644 -2.829 -1.014 1.00 0.59 C ATOM 977 CD2 PHE A 61 -7.358 -1.193 -0.893 1.00 0.54 C ATOM 978 CE1 PHE A 61 -4.734 -1.908 -0.557 1.00 0.63 C ATOM 979 CE2 PHE A 61 -6.454 -0.271 -0.434 1.00 0.57 C ATOM 980 CZ PHE A 61 -5.136 -0.622 -0.271 1.00 0.37 C ATOM 0 H PHE A 61 -6.375 -4.724 -3.349 1.00 0.29 H new ATOM 0 HA PHE A 61 -7.466 -5.223 -0.676 1.00 0.28 H new ATOM 0 HB2 PHE A 61 -8.196 -3.155 -2.782 1.00 0.32 H new ATOM 0 HB3 PHE A 61 -8.933 -3.278 -1.197 1.00 0.32 H new ATOM 0 HD1 PHE A 61 -5.320 -3.835 -1.237 1.00 0.59 H new ATOM 0 HD2 PHE A 61 -8.390 -0.904 -1.023 1.00 0.54 H new ATOM 0 HE1 PHE A 61 -3.701 -2.192 -0.422 1.00 0.63 H new ATOM 0 HE2 PHE A 61 -6.778 0.732 -0.200 1.00 0.57 H new ATOM 0 HZ PHE A 61 -4.419 0.106 0.079 1.00 0.37 H new ATOM 990 N ARG A 62 -9.549 -6.456 -1.422 1.00 0.47 N ATOM 991 CA ARG A 62 -10.588 -7.369 -1.885 1.00 0.66 C ATOM 992 C ARG A 62 -11.948 -7.027 -1.294 1.00 0.89 C ATOM 993 O ARG A 62 -12.109 -6.950 -0.073 1.00 1.05 O ATOM 994 CB ARG A 62 -10.229 -8.811 -1.511 1.00 0.84 C ATOM 995 CG ARG A 62 -11.291 -9.825 -1.907 1.00 1.49 C ATOM 996 CD ARG A 62 -10.812 -11.254 -1.719 1.00 1.88 C ATOM 997 NE ARG A 62 -10.460 -11.556 -0.332 1.00 2.29 N ATOM 998 CZ ARG A 62 -10.382 -12.795 0.160 1.00 2.86 C ATOM 999 NH1 ARG A 62 -10.664 -13.838 -0.612 1.00 3.11 N ATOM 1000 NH2 ARG A 62 -10.026 -12.986 1.424 1.00 3.63 N ATOM 0 H ARG A 62 -9.403 -6.459 -0.413 1.00 0.47 H new ATOM 0 HA ARG A 62 -10.648 -7.266 -2.968 1.00 0.66 H new ATOM 0 HB2 ARG A 62 -9.287 -9.078 -1.990 1.00 0.84 H new ATOM 0 HB3 ARG A 62 -10.067 -8.869 -0.435 1.00 0.84 H new ATOM 0 HG2 ARG A 62 -12.188 -9.662 -1.310 1.00 1.49 H new ATOM 0 HG3 ARG A 62 -11.569 -9.670 -2.949 1.00 1.49 H new ATOM 0 HD2 ARG A 62 -11.592 -11.940 -2.049 1.00 1.88 H new ATOM 0 HD3 ARG A 62 -9.944 -11.428 -2.355 1.00 1.88 H new ATOM 0 HE ARG A 62 -10.263 -10.776 0.295 1.00 2.29 H new ATOM 0 HH11 ARG A 62 -10.941 -13.694 -1.583 1.00 3.11 H new ATOM 0 HH12 ARG A 62 -10.604 -14.783 -0.234 1.00 3.11 H new ATOM 0 HH21 ARG A 62 -9.812 -12.186 2.020 1.00 3.63 H new ATOM 0 HH22 ARG A 62 -9.966 -13.932 1.800 1.00 3.63 H new ATOM 1014 N GLN A 63 -12.908 -6.832 -2.191 1.00 1.13 N ATOM 1015 CA GLN A 63 -14.305 -6.588 -1.852 1.00 1.48 C ATOM 1016 C GLN A 63 -15.053 -6.297 -3.145 1.00 2.09 C ATOM 1017 O GLN A 63 -14.465 -5.752 -4.076 1.00 2.68 O ATOM 1018 CB GLN A 63 -14.450 -5.404 -0.887 1.00 1.69 C ATOM 1019 CG GLN A 63 -15.872 -5.197 -0.386 1.00 2.15 C ATOM 1020 CD GLN A 63 -15.998 -4.026 0.565 1.00 2.52 C ATOM 1021 OE1 GLN A 63 -15.255 -3.050 0.472 1.00 3.00 O ATOM 1022 NE2 GLN A 63 -16.945 -4.111 1.483 1.00 3.03 N ATOM 0 H GLN A 63 -12.733 -6.839 -3.196 1.00 1.13 H new ATOM 0 HA GLN A 63 -14.715 -7.465 -1.352 1.00 1.48 H new ATOM 0 HB2 GLN A 63 -13.792 -5.560 -0.032 1.00 1.69 H new ATOM 0 HB3 GLN A 63 -14.114 -4.495 -1.387 1.00 1.69 H new ATOM 0 HG2 GLN A 63 -16.533 -5.039 -1.238 1.00 2.15 H new ATOM 0 HG3 GLN A 63 -16.211 -6.104 0.115 1.00 2.15 H new ATOM 0 HE21 GLN A 63 -17.540 -4.938 1.526 1.00 3.03 H new ATOM 0 HE22 GLN A 63 -17.080 -3.350 2.148 1.00 3.03 H new ATOM 1031 N GLY A 64 -16.318 -6.683 -3.233 1.00 2.55 N ATOM 1032 CA GLY A 64 -17.091 -6.360 -4.416 1.00 3.28 C ATOM 1033 C GLY A 64 -18.174 -7.371 -4.721 1.00 3.41 C ATOM 1034 O GLY A 64 -18.750 -7.968 -3.811 1.00 3.88 O ATOM 0 H GLY A 64 -16.819 -7.208 -2.516 1.00 2.55 H new ATOM 0 HA2 GLY A 64 -17.547 -5.378 -4.286 1.00 3.28 H new ATOM 0 HA3 GLY A 64 -16.419 -6.289 -5.272 1.00 3.28 H new ATOM 1038 N ILE A 65 -18.435 -7.571 -6.005 1.00 3.49 N ATOM 1039 CA ILE A 65 -19.544 -8.409 -6.444 1.00 3.94 C ATOM 1040 C ILE A 65 -19.052 -9.623 -7.248 1.00 4.01 C ATOM 1041 O ILE A 65 -18.919 -10.720 -6.706 1.00 4.32 O ATOM 1042 CB ILE A 65 -20.587 -7.574 -7.229 1.00 4.22 C ATOM 1043 CG1 ILE A 65 -21.562 -8.455 -8.024 1.00 4.91 C ATOM 1044 CG2 ILE A 65 -19.886 -6.575 -8.122 1.00 3.92 C ATOM 1045 CD1 ILE A 65 -22.458 -9.309 -7.154 1.00 5.57 C ATOM 0 H ILE A 65 -17.891 -7.162 -6.765 1.00 3.49 H new ATOM 0 HA ILE A 65 -20.040 -8.803 -5.557 1.00 3.94 H new ATOM 0 HB ILE A 65 -21.192 -7.029 -6.504 1.00 4.22 H new ATOM 0 HG12 ILE A 65 -22.183 -7.818 -8.654 1.00 4.91 H new ATOM 0 HG13 ILE A 65 -20.992 -9.103 -8.690 1.00 4.91 H new ATOM 0 HG21 ILE A 65 -20.628 -5.993 -8.669 1.00 3.92 H new ATOM 0 HG22 ILE A 65 -19.278 -5.906 -7.513 1.00 3.92 H new ATOM 0 HG23 ILE A 65 -19.247 -7.104 -8.828 1.00 3.92 H new ATOM 0 HD11 ILE A 65 -23.119 -9.903 -7.785 1.00 5.57 H new ATOM 0 HD12 ILE A 65 -21.846 -9.973 -6.543 1.00 5.57 H new ATOM 0 HD13 ILE A 65 -23.055 -8.667 -6.507 1.00 5.57 H new ATOM 1057 N ASN A 66 -18.769 -9.424 -8.526 1.00 4.06 N ATOM 1058 CA ASN A 66 -18.263 -10.480 -9.388 1.00 4.27 C ATOM 1059 C ASN A 66 -16.815 -10.177 -9.743 1.00 4.09 C ATOM 1060 O ASN A 66 -16.119 -9.556 -8.945 1.00 4.26 O ATOM 1061 CB ASN A 66 -19.137 -10.628 -10.645 1.00 4.76 C ATOM 1062 CG ASN A 66 -19.321 -9.334 -11.423 1.00 5.45 C ATOM 1063 OD1 ASN A 66 -18.449 -8.468 -11.442 1.00 5.72 O ATOM 1064 ND2 ASN A 66 -20.469 -9.195 -12.064 1.00 6.08 N ATOM 0 H ASN A 66 -18.884 -8.525 -8.995 1.00 4.06 H new ATOM 0 HA ASN A 66 -18.304 -11.434 -8.862 1.00 4.27 H new ATOM 0 HB2 ASN A 66 -18.689 -11.375 -11.301 1.00 4.76 H new ATOM 0 HB3 ASN A 66 -20.116 -11.007 -10.352 1.00 4.76 H new ATOM 0 HD21 ASN A 66 -20.655 -8.346 -12.598 1.00 6.08 H new ATOM 0 HD22 ASN A 66 -21.168 -9.936 -12.024 1.00 6.08 H new ATOM 1071 N MET A 67 -16.360 -10.621 -10.912 1.00 4.09 N ATOM 1072 CA MET A 67 -14.991 -10.356 -11.370 1.00 4.13 C ATOM 1073 C MET A 67 -14.668 -8.853 -11.382 1.00 3.60 C ATOM 1074 O MET A 67 -13.502 -8.459 -11.440 1.00 3.77 O ATOM 1075 CB MET A 67 -14.776 -10.950 -12.767 1.00 4.54 C ATOM 1076 CG MET A 67 -15.718 -10.391 -13.822 1.00 5.19 C ATOM 1077 SD MET A 67 -15.482 -11.138 -15.447 1.00 6.00 S ATOM 1078 CE MET A 67 -13.802 -10.634 -15.812 1.00 6.30 C ATOM 0 H MET A 67 -16.920 -11.169 -11.565 1.00 4.09 H new ATOM 0 HA MET A 67 -14.312 -10.833 -10.663 1.00 4.13 H new ATOM 0 HB2 MET A 67 -13.747 -10.764 -13.076 1.00 4.54 H new ATOM 0 HB3 MET A 67 -14.903 -12.031 -12.716 1.00 4.54 H new ATOM 0 HG2 MET A 67 -16.748 -10.549 -13.502 1.00 5.19 H new ATOM 0 HG3 MET A 67 -15.570 -9.314 -13.899 1.00 5.19 H new ATOM 0 HE1 MET A 67 -13.617 -10.732 -16.882 1.00 6.30 H new ATOM 0 HE2 MET A 67 -13.661 -9.595 -15.513 1.00 6.30 H new ATOM 0 HE3 MET A 67 -13.105 -11.267 -15.264 1.00 6.30 H new ATOM 1088 N LYS A 68 -15.701 -8.016 -11.339 1.00 3.30 N ATOM 1089 CA LYS A 68 -15.518 -6.575 -11.221 1.00 3.12 C ATOM 1090 C LYS A 68 -15.330 -6.183 -9.760 1.00 2.78 C ATOM 1091 O LYS A 68 -16.280 -5.784 -9.084 1.00 3.25 O ATOM 1092 CB LYS A 68 -16.714 -5.819 -11.816 1.00 3.71 C ATOM 1093 CG LYS A 68 -16.603 -5.565 -13.315 1.00 4.30 C ATOM 1094 CD LYS A 68 -16.529 -6.856 -14.113 1.00 4.85 C ATOM 1095 CE LYS A 68 -16.309 -6.587 -15.593 1.00 5.37 C ATOM 1096 NZ LYS A 68 -15.014 -5.902 -15.854 1.00 5.81 N ATOM 0 H LYS A 68 -16.676 -8.313 -11.384 1.00 3.30 H new ATOM 0 HA LYS A 68 -14.624 -6.301 -11.781 1.00 3.12 H new ATOM 0 HB2 LYS A 68 -17.624 -6.387 -11.620 1.00 3.71 H new ATOM 0 HB3 LYS A 68 -16.818 -4.863 -11.303 1.00 3.71 H new ATOM 0 HG2 LYS A 68 -17.463 -4.983 -13.648 1.00 4.30 H new ATOM 0 HG3 LYS A 68 -15.715 -4.965 -13.515 1.00 4.30 H new ATOM 0 HD2 LYS A 68 -15.717 -7.475 -13.730 1.00 4.85 H new ATOM 0 HD3 LYS A 68 -17.451 -7.421 -13.978 1.00 4.85 H new ATOM 0 HE2 LYS A 68 -16.336 -7.530 -16.140 1.00 5.37 H new ATOM 0 HE3 LYS A 68 -17.126 -5.974 -15.974 1.00 5.37 H new ATOM 0 HZ1 LYS A 68 -14.778 -5.979 -16.864 1.00 5.81 H new ATOM 0 HZ2 LYS A 68 -15.093 -4.899 -15.593 1.00 5.81 H new ATOM 0 HZ3 LYS A 68 -14.265 -6.349 -15.288 1.00 5.81 H new ATOM 1110 N PHE A 69 -14.104 -6.318 -9.274 1.00 2.52 N ATOM 1111 CA PHE A 69 -13.779 -5.952 -7.905 1.00 2.44 C ATOM 1112 C PHE A 69 -12.266 -5.876 -7.730 1.00 2.04 C ATOM 1113 O PHE A 69 -11.545 -5.886 -8.729 1.00 2.83 O ATOM 1114 CB PHE A 69 -14.408 -6.944 -6.906 1.00 3.01 C ATOM 1115 CG PHE A 69 -13.791 -8.323 -6.872 1.00 3.88 C ATOM 1116 CD1 PHE A 69 -13.412 -8.943 -8.053 1.00 4.80 C ATOM 1117 CD2 PHE A 69 -13.578 -8.992 -5.676 1.00 4.14 C ATOM 1118 CE1 PHE A 69 -12.832 -10.196 -8.041 1.00 5.84 C ATOM 1119 CE2 PHE A 69 -13.000 -10.248 -5.658 1.00 5.20 C ATOM 1120 CZ PHE A 69 -12.689 -10.875 -6.771 1.00 6.01 C ATOM 0 H PHE A 69 -13.316 -6.680 -9.811 1.00 2.52 H new ATOM 0 HA PHE A 69 -14.199 -4.968 -7.697 1.00 2.44 H new ATOM 0 HB2 PHE A 69 -14.345 -6.513 -5.907 1.00 3.01 H new ATOM 0 HB3 PHE A 69 -15.467 -7.046 -7.142 1.00 3.01 H new ATOM 0 HD1 PHE A 69 -13.573 -8.439 -8.995 1.00 4.80 H new ATOM 0 HD2 PHE A 69 -13.868 -8.526 -4.746 1.00 4.14 H new ATOM 0 HE1 PHE A 69 -12.493 -10.658 -8.957 1.00 5.84 H new ATOM 0 HE2 PHE A 69 -12.800 -10.724 -4.710 1.00 5.20 H new ATOM 0 HZ PHE A 69 -12.328 -11.892 -6.738 1.00 6.01 H new ATOM 1130 N PHE A 70 -11.799 -5.763 -6.470 1.00 1.22 N ATOM 1131 CA PHE A 70 -10.364 -5.803 -6.158 1.00 0.92 C ATOM 1132 C PHE A 70 -9.633 -4.513 -6.542 1.00 0.79 C ATOM 1133 O PHE A 70 -10.151 -3.671 -7.274 1.00 1.19 O ATOM 1134 CB PHE A 70 -9.737 -6.952 -6.915 1.00 1.37 C ATOM 1135 CG PHE A 70 -9.383 -8.143 -6.092 1.00 1.92 C ATOM 1136 CD1 PHE A 70 -8.699 -8.004 -4.900 1.00 2.15 C ATOM 1137 CD2 PHE A 70 -9.739 -9.401 -6.506 1.00 2.74 C ATOM 1138 CE1 PHE A 70 -8.381 -9.102 -4.142 1.00 2.96 C ATOM 1139 CE2 PHE A 70 -9.426 -10.499 -5.764 1.00 3.59 C ATOM 1140 CZ PHE A 70 -8.711 -10.342 -4.561 1.00 3.63 C ATOM 0 H PHE A 70 -12.399 -5.643 -5.654 1.00 1.22 H new ATOM 0 HA PHE A 70 -10.269 -5.926 -5.079 1.00 0.92 H new ATOM 0 HB2 PHE A 70 -10.425 -7.266 -7.700 1.00 1.37 H new ATOM 0 HB3 PHE A 70 -8.834 -6.591 -7.408 1.00 1.37 H new ATOM 0 HD1 PHE A 70 -8.411 -7.020 -4.561 1.00 2.15 H new ATOM 0 HD2 PHE A 70 -10.276 -9.523 -7.435 1.00 2.74 H new ATOM 0 HE1 PHE A 70 -7.863 -8.974 -3.203 1.00 2.96 H new ATOM 0 HE2 PHE A 70 -9.724 -11.483 -6.096 1.00 3.59 H new ATOM 0 HZ PHE A 70 -8.429 -11.207 -3.978 1.00 3.63 H new ATOM 1150 N THR A 71 -8.428 -4.377 -6.017 1.00 0.58 N ATOM 1151 CA THR A 71 -7.475 -3.380 -6.478 1.00 0.49 C ATOM 1152 C THR A 71 -6.094 -3.740 -5.972 1.00 0.40 C ATOM 1153 O THR A 71 -5.915 -4.109 -4.814 1.00 0.49 O ATOM 1154 CB THR A 71 -7.842 -1.923 -6.089 1.00 0.56 C ATOM 1155 OG1 THR A 71 -7.341 -1.027 -7.088 1.00 0.81 O ATOM 1156 CG2 THR A 71 -7.270 -1.505 -4.742 1.00 0.48 C ATOM 0 H THR A 71 -8.080 -4.958 -5.254 1.00 0.58 H new ATOM 0 HA THR A 71 -7.499 -3.399 -7.568 1.00 0.49 H new ATOM 0 HB THR A 71 -8.929 -1.879 -6.018 1.00 0.56 H new ATOM 0 HG1 THR A 71 -8.088 -0.540 -7.495 1.00 0.81 H new ATOM 0 HG21 THR A 71 -7.561 -0.477 -4.526 1.00 0.48 H new ATOM 0 HG22 THR A 71 -7.656 -2.163 -3.963 1.00 0.48 H new ATOM 0 HG23 THR A 71 -6.183 -1.576 -4.771 1.00 0.48 H new ATOM 1164 N GLU A 72 -5.131 -3.695 -6.862 1.00 0.49 N ATOM 1165 CA GLU A 72 -3.775 -4.038 -6.516 1.00 0.45 C ATOM 1166 C GLU A 72 -2.969 -2.774 -6.286 1.00 0.47 C ATOM 1167 O GLU A 72 -2.825 -1.949 -7.191 1.00 0.57 O ATOM 1168 CB GLU A 72 -3.151 -4.872 -7.635 1.00 0.63 C ATOM 1169 CG GLU A 72 -1.658 -5.098 -7.471 1.00 1.19 C ATOM 1170 CD GLU A 72 -1.039 -5.851 -8.630 1.00 1.50 C ATOM 1171 OE1 GLU A 72 -0.316 -5.228 -9.433 1.00 1.83 O ATOM 1172 OE2 GLU A 72 -1.286 -7.069 -8.755 1.00 1.80 O ATOM 0 H GLU A 72 -5.264 -3.422 -7.836 1.00 0.49 H new ATOM 0 HA GLU A 72 -3.773 -4.626 -5.598 1.00 0.45 H new ATOM 0 HB2 GLU A 72 -3.653 -5.839 -7.678 1.00 0.63 H new ATOM 0 HB3 GLU A 72 -3.331 -4.376 -8.589 1.00 0.63 H new ATOM 0 HG2 GLU A 72 -1.160 -4.134 -7.365 1.00 1.19 H new ATOM 0 HG3 GLU A 72 -1.480 -5.652 -6.549 1.00 1.19 H new ATOM 1179 N VAL A 73 -2.459 -2.611 -5.081 1.00 0.44 N ATOM 1180 CA VAL A 73 -1.671 -1.447 -4.765 1.00 0.52 C ATOM 1181 C VAL A 73 -0.333 -1.877 -4.195 1.00 0.64 C ATOM 1182 O VAL A 73 -0.247 -2.390 -3.080 1.00 0.76 O ATOM 1183 CB VAL A 73 -2.371 -0.495 -3.786 1.00 0.52 C ATOM 1184 CG1 VAL A 73 -2.240 0.931 -4.286 1.00 0.66 C ATOM 1185 CG2 VAL A 73 -3.825 -0.859 -3.614 1.00 0.53 C ATOM 0 H VAL A 73 -2.578 -3.269 -4.311 1.00 0.44 H new ATOM 0 HA VAL A 73 -1.530 -0.896 -5.695 1.00 0.52 H new ATOM 0 HB VAL A 73 -1.890 -0.585 -2.812 1.00 0.52 H new ATOM 0 HG11 VAL A 73 -2.737 1.607 -3.591 1.00 0.66 H new ATOM 0 HG12 VAL A 73 -1.185 1.196 -4.358 1.00 0.66 H new ATOM 0 HG13 VAL A 73 -2.703 1.016 -5.269 1.00 0.66 H new ATOM 0 HG21 VAL A 73 -4.293 -0.166 -2.915 1.00 0.53 H new ATOM 0 HG22 VAL A 73 -4.331 -0.800 -4.577 1.00 0.53 H new ATOM 0 HG23 VAL A 73 -3.902 -1.874 -3.225 1.00 0.53 H new ATOM 1195 N GLU A 74 0.699 -1.681 -4.982 1.00 0.80 N ATOM 1196 CA GLU A 74 2.032 -2.142 -4.653 1.00 0.96 C ATOM 1197 C GLU A 74 2.626 -1.353 -3.510 1.00 0.98 C ATOM 1198 O GLU A 74 2.766 -0.131 -3.568 1.00 1.16 O ATOM 1199 CB GLU A 74 2.906 -1.998 -5.881 1.00 1.24 C ATOM 1200 CG GLU A 74 2.365 -2.724 -7.098 1.00 1.49 C ATOM 1201 CD GLU A 74 3.295 -2.623 -8.281 1.00 1.71 C ATOM 1202 OE1 GLU A 74 3.916 -3.643 -8.641 1.00 2.25 O ATOM 1203 OE2 GLU A 74 3.396 -1.527 -8.866 1.00 2.02 O ATOM 0 H GLU A 74 0.639 -1.194 -5.876 1.00 0.80 H new ATOM 0 HA GLU A 74 1.976 -3.184 -4.339 1.00 0.96 H new ATOM 0 HB2 GLU A 74 3.014 -0.940 -6.118 1.00 1.24 H new ATOM 0 HB3 GLU A 74 3.902 -2.378 -5.655 1.00 1.24 H new ATOM 0 HG2 GLU A 74 2.206 -3.774 -6.852 1.00 1.49 H new ATOM 0 HG3 GLU A 74 1.393 -2.308 -7.365 1.00 1.49 H new ATOM 1210 N ALA A 75 2.984 -2.093 -2.482 1.00 1.06 N ATOM 1211 CA ALA A 75 3.599 -1.543 -1.301 1.00 1.12 C ATOM 1212 C ALA A 75 4.956 -0.900 -1.616 1.00 1.43 C ATOM 1213 O ALA A 75 5.081 0.323 -1.577 1.00 1.80 O ATOM 1214 CB ALA A 75 3.734 -2.634 -0.257 1.00 1.02 C ATOM 0 H ALA A 75 2.853 -3.104 -2.446 1.00 1.06 H new ATOM 0 HA ALA A 75 2.963 -0.749 -0.910 1.00 1.12 H new ATOM 0 HB1 ALA A 75 4.199 -2.224 0.640 1.00 1.02 H new ATOM 0 HB2 ALA A 75 2.747 -3.024 -0.008 1.00 1.02 H new ATOM 0 HB3 ALA A 75 4.353 -3.440 -0.651 1.00 1.02 H new ATOM 1220 N TYR A 76 5.971 -1.707 -1.932 1.00 1.71 N ATOM 1221 CA TYR A 76 7.303 -1.159 -2.205 1.00 2.10 C ATOM 1222 C TYR A 76 8.160 -2.173 -2.969 1.00 2.93 C ATOM 1223 O TYR A 76 8.558 -3.188 -2.426 1.00 3.37 O ATOM 1224 CB TYR A 76 7.967 -0.735 -0.871 1.00 2.06 C ATOM 1225 CG TYR A 76 9.443 -1.083 -0.754 1.00 2.42 C ATOM 1226 CD1 TYR A 76 10.361 -0.657 -1.698 1.00 3.02 C ATOM 1227 CD2 TYR A 76 9.907 -1.856 0.298 1.00 2.63 C ATOM 1228 CE1 TYR A 76 11.696 -0.997 -1.600 1.00 3.55 C ATOM 1229 CE2 TYR A 76 11.235 -2.198 0.409 1.00 3.23 C ATOM 1230 CZ TYR A 76 12.128 -1.770 -0.544 1.00 3.62 C ATOM 1231 OH TYR A 76 13.457 -2.119 -0.443 1.00 4.28 O ATOM 0 H TYR A 76 5.901 -2.722 -2.005 1.00 1.71 H new ATOM 0 HA TYR A 76 7.211 -0.277 -2.839 1.00 2.10 H new ATOM 0 HB2 TYR A 76 7.851 0.342 -0.750 1.00 2.06 H new ATOM 0 HB3 TYR A 76 7.430 -1.207 -0.048 1.00 2.06 H new ATOM 0 HD1 TYR A 76 10.028 -0.048 -2.525 1.00 3.02 H new ATOM 0 HD2 TYR A 76 9.210 -2.198 1.049 1.00 2.63 H new ATOM 0 HE1 TYR A 76 12.398 -0.659 -2.348 1.00 3.55 H new ATOM 0 HE2 TYR A 76 11.574 -2.799 1.240 1.00 3.23 H new ATOM 0 HH TYR A 76 13.592 -2.664 0.360 1.00 4.28 H new ATOM 1383 N CYS A 85 14.789 4.821 -0.819 1.00 2.66 N ATOM 1384 CA CYS A 85 14.568 6.281 -1.057 1.00 3.24 C ATOM 1385 C CYS A 85 13.821 6.620 -2.358 1.00 3.77 C ATOM 1386 O CYS A 85 13.467 7.770 -2.610 1.00 4.31 O ATOM 1387 CB CYS A 85 15.865 7.096 -0.947 1.00 3.79 C ATOM 1388 SG CYS A 85 17.161 6.691 -2.159 1.00 4.64 S ATOM 0 HA CYS A 85 13.901 6.577 -0.247 1.00 3.24 H new ATOM 0 HB2 CYS A 85 15.617 8.153 -1.048 1.00 3.79 H new ATOM 0 HB3 CYS A 85 16.274 6.959 0.054 1.00 3.79 H new ATOM 0 HG CYS A 85 18.197 7.450 -1.957 1.00 4.64 H new ATOM 1393 N GLY A 86 13.579 5.609 -3.137 1.00 4.00 N ATOM 1394 CA GLY A 86 12.731 5.693 -4.334 1.00 4.75 C ATOM 1395 C GLY A 86 11.372 5.116 -4.009 1.00 4.42 C ATOM 1396 O GLY A 86 10.644 4.608 -4.858 1.00 5.13 O ATOM 0 H GLY A 86 13.962 4.678 -2.974 1.00 4.00 H new ATOM 0 HA2 GLY A 86 12.634 6.730 -4.656 1.00 4.75 H new ATOM 0 HA3 GLY A 86 13.187 5.145 -5.159 1.00 4.75 H new ATOM 1400 N LYS A 87 11.088 5.195 -2.731 1.00 3.51 N ATOM 1401 CA LYS A 87 10.280 4.244 -2.005 1.00 3.25 C ATOM 1402 C LYS A 87 9.021 4.827 -1.423 1.00 2.57 C ATOM 1403 O LYS A 87 8.429 5.747 -1.976 1.00 2.57 O ATOM 1404 CB LYS A 87 11.143 3.511 -0.994 1.00 3.54 C ATOM 1405 CG LYS A 87 12.299 2.770 -1.666 1.00 4.49 C ATOM 1406 CD LYS A 87 11.852 2.097 -2.963 1.00 5.19 C ATOM 1407 CE LYS A 87 13.012 1.564 -3.789 1.00 6.18 C ATOM 1408 NZ LYS A 87 12.534 1.052 -5.101 1.00 6.95 N ATOM 0 H LYS A 87 11.428 5.956 -2.143 1.00 3.51 H new ATOM 0 HA LYS A 87 9.902 3.513 -2.719 1.00 3.25 H new ATOM 0 HB2 LYS A 87 11.539 4.223 -0.270 1.00 3.54 H new ATOM 0 HB3 LYS A 87 10.530 2.801 -0.439 1.00 3.54 H new ATOM 0 HG2 LYS A 87 13.108 3.470 -1.878 1.00 4.49 H new ATOM 0 HG3 LYS A 87 12.697 2.019 -0.984 1.00 4.49 H new ATOM 0 HD2 LYS A 87 11.176 1.276 -2.725 1.00 5.19 H new ATOM 0 HD3 LYS A 87 11.287 2.812 -3.560 1.00 5.19 H new ATOM 0 HE2 LYS A 87 13.745 2.355 -3.947 1.00 6.18 H new ATOM 0 HE3 LYS A 87 13.516 0.766 -3.244 1.00 6.18 H new ATOM 0 HZ1 LYS A 87 13.342 0.693 -5.649 1.00 6.95 H new ATOM 0 HZ2 LYS A 87 11.852 0.283 -4.946 1.00 6.95 H new ATOM 0 HZ3 LYS A 87 12.074 1.822 -5.627 1.00 6.95 H new ATOM 1422 N ARG A 88 8.656 4.290 -0.286 1.00 2.48 N ATOM 1423 CA ARG A 88 7.282 4.061 0.139 1.00 2.17 C ATOM 1424 C ARG A 88 6.360 5.277 0.061 1.00 1.70 C ATOM 1425 O ARG A 88 6.759 6.431 0.226 1.00 2.18 O ATOM 1426 CB ARG A 88 7.350 3.611 1.595 1.00 3.14 C ATOM 1427 CG ARG A 88 8.319 4.439 2.466 1.00 3.80 C ATOM 1428 CD ARG A 88 7.803 5.834 2.800 1.00 4.78 C ATOM 1429 NE ARG A 88 6.620 5.801 3.655 1.00 5.43 N ATOM 1430 CZ ARG A 88 5.797 6.829 3.847 1.00 6.34 C ATOM 1431 NH1 ARG A 88 5.993 7.973 3.210 1.00 6.69 N ATOM 1432 NH2 ARG A 88 4.767 6.708 4.673 1.00 7.15 N ATOM 0 H ARG A 88 9.337 3.983 0.409 1.00 2.48 H new ATOM 0 HA ARG A 88 6.853 3.327 -0.543 1.00 2.17 H new ATOM 0 HB2 ARG A 88 6.351 3.667 2.028 1.00 3.14 H new ATOM 0 HB3 ARG A 88 7.654 2.565 1.627 1.00 3.14 H new ATOM 0 HG2 ARG A 88 8.510 3.900 3.394 1.00 3.80 H new ATOM 0 HG3 ARG A 88 9.273 4.529 1.947 1.00 3.80 H new ATOM 0 HD2 ARG A 88 8.591 6.400 3.297 1.00 4.78 H new ATOM 0 HD3 ARG A 88 7.565 6.361 1.876 1.00 4.78 H new ATOM 0 HE ARG A 88 6.409 4.928 4.139 1.00 5.43 H new ATOM 0 HH11 ARG A 88 6.779 8.071 2.567 1.00 6.69 H new ATOM 0 HH12 ARG A 88 5.358 8.757 3.362 1.00 6.69 H new ATOM 0 HH21 ARG A 88 4.606 5.827 5.161 1.00 7.15 H new ATOM 0 HH22 ARG A 88 4.136 7.496 4.820 1.00 7.15 H new ATOM 1446 N TYR A 89 5.107 4.954 -0.241 1.00 1.34 N ATOM 1447 CA TYR A 89 4.057 5.919 -0.516 1.00 1.31 C ATOM 1448 C TYR A 89 2.789 5.498 0.211 1.00 1.05 C ATOM 1449 O TYR A 89 2.671 4.351 0.646 1.00 1.43 O ATOM 1450 CB TYR A 89 3.755 5.984 -2.019 1.00 2.13 C ATOM 1451 CG TYR A 89 4.938 6.325 -2.896 1.00 2.67 C ATOM 1452 CD1 TYR A 89 5.517 5.361 -3.711 1.00 3.40 C ATOM 1453 CD2 TYR A 89 5.465 7.608 -2.921 1.00 2.94 C ATOM 1454 CE1 TYR A 89 6.588 5.667 -4.527 1.00 4.21 C ATOM 1455 CE2 TYR A 89 6.537 7.923 -3.732 1.00 3.68 C ATOM 1456 CZ TYR A 89 7.094 6.949 -4.534 1.00 4.27 C ATOM 1457 OH TYR A 89 8.157 7.258 -5.349 1.00 5.18 O ATOM 0 H TYR A 89 4.789 3.987 -0.302 1.00 1.34 H new ATOM 0 HA TYR A 89 4.392 6.899 -0.176 1.00 1.31 H new ATOM 0 HB2 TYR A 89 3.353 5.021 -2.335 1.00 2.13 H new ATOM 0 HB3 TYR A 89 2.973 6.725 -2.185 1.00 2.13 H new ATOM 0 HD1 TYR A 89 5.123 4.355 -3.706 1.00 3.40 H new ATOM 0 HD2 TYR A 89 5.029 8.373 -2.296 1.00 2.94 H new ATOM 0 HE1 TYR A 89 7.027 4.906 -5.156 1.00 4.21 H new ATOM 0 HE2 TYR A 89 6.937 8.926 -3.738 1.00 3.68 H new ATOM 0 HH TYR A 89 8.392 8.203 -5.236 1.00 5.18 H new ATOM 1467 N GLU A 90 1.863 6.428 0.368 1.00 0.79 N ATOM 1468 CA GLU A 90 0.565 6.117 0.936 1.00 0.71 C ATOM 1469 C GLU A 90 -0.407 5.696 -0.145 1.00 0.53 C ATOM 1470 O GLU A 90 -0.685 6.445 -1.086 1.00 0.63 O ATOM 1471 CB GLU A 90 -0.001 7.325 1.681 1.00 1.07 C ATOM 1472 CG GLU A 90 -1.504 7.255 1.899 1.00 1.28 C ATOM 1473 CD GLU A 90 -2.115 8.617 2.136 1.00 1.79 C ATOM 1474 OE1 GLU A 90 -2.399 9.329 1.154 1.00 2.09 O ATOM 1475 OE2 GLU A 90 -2.325 8.979 3.314 1.00 2.07 O ATOM 0 H GLU A 90 1.987 7.407 0.109 1.00 0.79 H new ATOM 0 HA GLU A 90 0.699 5.293 1.637 1.00 0.71 H new ATOM 0 HB2 GLU A 90 0.495 7.410 2.648 1.00 1.07 H new ATOM 0 HB3 GLU A 90 0.235 8.230 1.121 1.00 1.07 H new ATOM 0 HG2 GLU A 90 -1.974 6.795 1.029 1.00 1.28 H new ATOM 0 HG3 GLU A 90 -1.715 6.611 2.753 1.00 1.28 H new ATOM 1482 N LEU A 91 -0.908 4.485 -0.001 1.00 0.50 N ATOM 1483 CA LEU A 91 -1.957 3.994 -0.858 1.00 0.43 C ATOM 1484 C LEU A 91 -3.220 3.915 -0.043 1.00 0.43 C ATOM 1485 O LEU A 91 -3.324 3.125 0.895 1.00 0.57 O ATOM 1486 CB LEU A 91 -1.626 2.622 -1.440 1.00 0.50 C ATOM 1487 CG LEU A 91 -0.157 2.174 -1.279 1.00 0.93 C ATOM 1488 CD1 LEU A 91 0.022 0.719 -1.672 1.00 1.82 C ATOM 1489 CD2 LEU A 91 0.768 3.041 -2.124 1.00 1.02 C ATOM 0 H LEU A 91 -0.599 3.822 0.709 1.00 0.50 H new ATOM 0 HA LEU A 91 -2.075 4.675 -1.701 1.00 0.43 H new ATOM 0 HB2 LEU A 91 -2.269 1.880 -0.966 1.00 0.50 H new ATOM 0 HB3 LEU A 91 -1.873 2.627 -2.502 1.00 0.50 H new ATOM 0 HG LEU A 91 0.102 2.288 -0.226 1.00 0.93 H new ATOM 0 HD11 LEU A 91 1.067 0.434 -1.548 1.00 1.82 H new ATOM 0 HD12 LEU A 91 -0.603 0.091 -1.037 1.00 1.82 H new ATOM 0 HD13 LEU A 91 -0.269 0.585 -2.714 1.00 1.82 H new ATOM 0 HD21 LEU A 91 1.798 2.707 -1.995 1.00 1.02 H new ATOM 0 HD22 LEU A 91 0.488 2.956 -3.174 1.00 1.02 H new ATOM 0 HD23 LEU A 91 0.681 4.081 -1.808 1.00 1.02 H new ATOM 1501 N SER A 92 -4.168 4.747 -0.374 1.00 0.43 N ATOM 1502 CA SER A 92 -5.317 4.919 0.471 1.00 0.48 C ATOM 1503 C SER A 92 -6.603 4.644 -0.261 1.00 0.43 C ATOM 1504 O SER A 92 -6.839 5.151 -1.353 1.00 0.51 O ATOM 1505 CB SER A 92 -5.304 6.335 1.033 1.00 0.59 C ATOM 1506 OG SER A 92 -5.166 7.289 0.003 1.00 1.23 O ATOM 0 H SER A 92 -4.168 5.316 -1.221 1.00 0.43 H new ATOM 0 HA SER A 92 -5.264 4.196 1.285 1.00 0.48 H new ATOM 0 HB2 SER A 92 -6.227 6.520 1.583 1.00 0.59 H new ATOM 0 HB3 SER A 92 -4.484 6.440 1.743 1.00 0.59 H new ATOM 0 HG SER A 92 -5.879 7.163 -0.657 1.00 1.23 H new ATOM 1512 N ALA A 93 -7.425 3.828 0.359 1.00 0.52 N ATOM 1513 CA ALA A 93 -8.729 3.524 -0.156 1.00 0.54 C ATOM 1514 C ALA A 93 -9.688 4.584 0.283 1.00 0.62 C ATOM 1515 O ALA A 93 -10.271 4.536 1.362 1.00 0.83 O ATOM 1516 CB ALA A 93 -9.161 2.172 0.303 1.00 0.66 C ATOM 0 H ALA A 93 -7.202 3.358 1.236 1.00 0.52 H new ATOM 0 HA ALA A 93 -8.704 3.508 -1.246 1.00 0.54 H new ATOM 0 HB1 ALA A 93 -10.152 1.952 -0.094 1.00 0.66 H new ATOM 0 HB2 ALA A 93 -8.453 1.423 -0.053 1.00 0.66 H new ATOM 0 HB3 ALA A 93 -9.194 2.151 1.392 1.00 0.66 H new ATOM 1522 N ARG A 94 -9.825 5.541 -0.574 1.00 0.91 N ATOM 1523 CA ARG A 94 -10.492 6.785 -0.228 1.00 1.26 C ATOM 1524 C ARG A 94 -11.679 7.082 -1.061 1.00 0.70 C ATOM 1525 O ARG A 94 -11.927 6.490 -2.110 1.00 1.17 O ATOM 1526 CB ARG A 94 -9.542 7.966 -0.367 1.00 2.35 C ATOM 1527 CG ARG A 94 -8.535 8.117 0.759 1.00 3.37 C ATOM 1528 CD ARG A 94 -7.720 9.390 0.584 1.00 4.38 C ATOM 1529 NE ARG A 94 -7.112 9.855 1.831 1.00 5.11 N ATOM 1530 CZ ARG A 94 -5.816 10.126 1.974 1.00 6.01 C ATOM 1531 NH1 ARG A 94 -4.972 9.875 0.985 1.00 6.36 N ATOM 1532 NH2 ARG A 94 -5.364 10.645 3.106 1.00 6.80 N ATOM 0 H ARG A 94 -9.484 5.498 -1.535 1.00 0.91 H new ATOM 0 HA ARG A 94 -10.817 6.646 0.803 1.00 1.26 H new ATOM 0 HB2 ARG A 94 -9.000 7.868 -1.308 1.00 2.35 H new ATOM 0 HB3 ARG A 94 -10.131 8.881 -0.432 1.00 2.35 H new ATOM 0 HG2 ARG A 94 -9.054 8.140 1.717 1.00 3.37 H new ATOM 0 HG3 ARG A 94 -7.870 7.253 0.778 1.00 3.37 H new ATOM 0 HD2 ARG A 94 -6.936 9.215 -0.153 1.00 4.38 H new ATOM 0 HD3 ARG A 94 -8.363 10.175 0.185 1.00 4.38 H new ATOM 0 HE ARG A 94 -7.719 9.979 2.641 1.00 5.11 H new ATOM 0 HH11 ARG A 94 -5.314 9.474 0.112 1.00 6.36 H new ATOM 0 HH12 ARG A 94 -3.980 10.083 1.096 1.00 6.36 H new ATOM 0 HH21 ARG A 94 -6.009 10.838 3.872 1.00 6.80 H new ATOM 0 HH22 ARG A 94 -4.371 10.851 3.212 1.00 6.80 H new ATOM 1546 N MET A 95 -12.426 7.980 -0.448 1.00 0.84 N ATOM 1547 CA MET A 95 -13.599 8.628 -0.984 1.00 1.41 C ATOM 1548 C MET A 95 -13.671 8.556 -2.504 1.00 1.48 C ATOM 1549 O MET A 95 -14.664 8.085 -3.057 1.00 2.12 O ATOM 1550 CB MET A 95 -13.590 10.089 -0.522 1.00 2.09 C ATOM 1551 CG MET A 95 -13.305 10.248 0.969 1.00 2.32 C ATOM 1552 SD MET A 95 -13.307 11.970 1.507 1.00 3.26 S ATOM 1553 CE MET A 95 -11.806 12.567 0.733 1.00 3.27 C ATOM 0 H MET A 95 -12.212 8.294 0.499 1.00 0.84 H new ATOM 0 HA MET A 95 -14.481 8.105 -0.613 1.00 1.41 H new ATOM 0 HB2 MET A 95 -12.838 10.638 -1.089 1.00 2.09 H new ATOM 0 HB3 MET A 95 -14.555 10.541 -0.751 1.00 2.09 H new ATOM 0 HG2 MET A 95 -14.053 9.695 1.537 1.00 2.32 H new ATOM 0 HG3 MET A 95 -12.337 9.803 1.198 1.00 2.32 H new ATOM 0 HE1 MET A 95 -11.533 13.530 1.164 1.00 3.27 H new ATOM 0 HE2 MET A 95 -11.000 11.852 0.902 1.00 3.27 H new ATOM 0 HE3 MET A 95 -11.970 12.682 -0.338 1.00 3.27 H new ATOM 1563 N ASP A 96 -12.615 9.017 -3.172 1.00 1.26 N ATOM 1564 CA ASP A 96 -12.543 8.941 -4.622 1.00 1.45 C ATOM 1565 C ASP A 96 -11.237 8.286 -5.069 1.00 1.30 C ATOM 1566 O ASP A 96 -10.335 8.955 -5.573 1.00 1.97 O ATOM 1567 CB ASP A 96 -12.697 10.327 -5.257 1.00 1.76 C ATOM 1568 CG ASP A 96 -12.838 10.255 -6.767 1.00 2.34 C ATOM 1569 OD1 ASP A 96 -13.846 9.688 -7.250 1.00 2.78 O ATOM 1570 OD2 ASP A 96 -11.953 10.771 -7.481 1.00 2.86 O ATOM 0 H ASP A 96 -11.802 9.445 -2.730 1.00 1.26 H new ATOM 0 HA ASP A 96 -13.371 8.320 -4.963 1.00 1.45 H new ATOM 0 HB2 ASP A 96 -13.572 10.822 -4.836 1.00 1.76 H new ATOM 0 HB3 ASP A 96 -11.831 10.939 -5.004 1.00 1.76 H new ATOM 1575 N ALA A 97 -11.137 6.988 -4.764 1.00 0.84 N ATOM 1576 CA ALA A 97 -10.147 6.060 -5.341 1.00 0.62 C ATOM 1577 C ALA A 97 -8.993 5.796 -4.397 1.00 0.60 C ATOM 1578 O ALA A 97 -8.914 6.330 -3.291 1.00 0.92 O ATOM 1579 CB ALA A 97 -9.608 6.503 -6.707 1.00 0.55 C ATOM 0 H ALA A 97 -11.757 6.537 -4.091 1.00 0.84 H new ATOM 0 HA ALA A 97 -10.698 5.133 -5.496 1.00 0.62 H new ATOM 0 HB1 ALA A 97 -8.885 5.771 -7.068 1.00 0.55 H new ATOM 0 HB2 ALA A 97 -10.432 6.579 -7.416 1.00 0.55 H new ATOM 0 HB3 ALA A 97 -9.123 7.474 -6.609 1.00 0.55 H new ATOM 1585 N ILE A 98 -8.124 4.931 -4.868 1.00 0.39 N ATOM 1586 CA ILE A 98 -6.947 4.504 -4.159 1.00 0.34 C ATOM 1587 C ILE A 98 -5.773 5.388 -4.536 1.00 0.32 C ATOM 1588 O ILE A 98 -5.492 5.604 -5.714 1.00 0.35 O ATOM 1589 CB ILE A 98 -6.636 3.034 -4.501 1.00 0.37 C ATOM 1590 CG1 ILE A 98 -7.745 2.141 -3.939 1.00 0.46 C ATOM 1591 CG2 ILE A 98 -5.260 2.617 -3.938 1.00 0.38 C ATOM 1592 CD1 ILE A 98 -7.483 1.692 -2.543 1.00 0.50 C ATOM 0 H ILE A 98 -8.223 4.494 -5.784 1.00 0.39 H new ATOM 0 HA ILE A 98 -7.123 4.587 -3.086 1.00 0.34 H new ATOM 0 HB ILE A 98 -6.596 2.920 -5.584 1.00 0.37 H new ATOM 0 HG12 ILE A 98 -8.690 2.683 -3.968 1.00 0.46 H new ATOM 0 HG13 ILE A 98 -7.859 1.267 -4.580 1.00 0.46 H new ATOM 0 HG21 ILE A 98 -5.063 1.576 -4.192 1.00 0.38 H new ATOM 0 HG22 ILE A 98 -4.484 3.249 -4.370 1.00 0.38 H new ATOM 0 HG23 ILE A 98 -5.260 2.732 -2.854 1.00 0.38 H new ATOM 0 HD11 ILE A 98 -8.305 1.063 -2.203 1.00 0.50 H new ATOM 0 HD12 ILE A 98 -6.554 1.123 -2.512 1.00 0.50 H new ATOM 0 HD13 ILE A 98 -7.398 2.561 -1.891 1.00 0.50 H new ATOM 1604 N TYR A 99 -5.113 5.916 -3.533 1.00 0.40 N ATOM 1605 CA TYR A 99 -3.969 6.792 -3.749 1.00 0.53 C ATOM 1606 C TYR A 99 -2.695 5.968 -3.853 1.00 0.63 C ATOM 1607 O TYR A 99 -2.687 4.799 -3.489 1.00 0.86 O ATOM 1608 CB TYR A 99 -3.860 7.813 -2.613 1.00 0.79 C ATOM 1609 CG TYR A 99 -4.938 8.884 -2.641 1.00 1.11 C ATOM 1610 CD1 TYR A 99 -6.284 8.546 -2.722 1.00 1.77 C ATOM 1611 CD2 TYR A 99 -4.609 10.232 -2.575 1.00 1.50 C ATOM 1612 CE1 TYR A 99 -7.266 9.515 -2.741 1.00 2.60 C ATOM 1613 CE2 TYR A 99 -5.588 11.209 -2.592 1.00 2.26 C ATOM 1614 CZ TYR A 99 -6.915 10.845 -2.674 1.00 2.77 C ATOM 1615 OH TYR A 99 -7.895 11.812 -2.698 1.00 3.67 O ATOM 0 H TYR A 99 -5.344 5.758 -2.552 1.00 0.40 H new ATOM 0 HA TYR A 99 -4.110 7.334 -4.684 1.00 0.53 H new ATOM 0 HB2 TYR A 99 -3.909 7.287 -1.659 1.00 0.79 H new ATOM 0 HB3 TYR A 99 -2.883 8.294 -2.662 1.00 0.79 H new ATOM 0 HD1 TYR A 99 -6.566 7.505 -2.771 1.00 1.77 H new ATOM 0 HD2 TYR A 99 -3.571 10.522 -2.509 1.00 1.50 H new ATOM 0 HE1 TYR A 99 -8.306 9.232 -2.808 1.00 2.60 H new ATOM 0 HE2 TYR A 99 -5.314 12.252 -2.541 1.00 2.26 H new ATOM 0 HH TYR A 99 -7.481 12.699 -2.642 1.00 3.67 H new ATOM 1625 N PHE A 100 -1.635 6.570 -4.368 1.00 0.72 N ATOM 1626 CA PHE A 100 -0.352 5.889 -4.482 1.00 0.91 C ATOM 1627 C PHE A 100 0.767 6.919 -4.322 1.00 1.25 C ATOM 1628 O PHE A 100 1.665 7.016 -5.152 1.00 1.90 O ATOM 1629 CB PHE A 100 -0.253 5.198 -5.854 1.00 1.20 C ATOM 1630 CG PHE A 100 0.772 4.093 -5.936 1.00 1.73 C ATOM 1631 CD1 PHE A 100 2.111 4.371 -6.169 1.00 2.22 C ATOM 1632 CD2 PHE A 100 0.386 2.772 -5.789 1.00 2.19 C ATOM 1633 CE1 PHE A 100 3.042 3.355 -6.253 1.00 2.83 C ATOM 1634 CE2 PHE A 100 1.314 1.750 -5.871 1.00 2.91 C ATOM 1635 CZ PHE A 100 2.642 2.043 -6.102 1.00 3.12 C ATOM 0 H PHE A 100 -1.636 7.529 -4.714 1.00 0.72 H new ATOM 0 HA PHE A 100 -0.259 5.130 -3.705 1.00 0.91 H new ATOM 0 HB2 PHE A 100 -1.230 4.787 -6.109 1.00 1.20 H new ATOM 0 HB3 PHE A 100 -0.017 5.950 -6.607 1.00 1.20 H new ATOM 0 HD1 PHE A 100 2.430 5.396 -6.286 1.00 2.22 H new ATOM 0 HD2 PHE A 100 -0.652 2.537 -5.608 1.00 2.19 H new ATOM 0 HE1 PHE A 100 4.081 3.587 -6.436 1.00 2.83 H new ATOM 0 HE2 PHE A 100 0.999 0.723 -5.754 1.00 2.91 H new ATOM 0 HZ PHE A 100 3.368 1.246 -6.165 1.00 3.12 H new ATOM 1645 N LYS A 101 0.710 7.703 -3.254 1.00 1.07 N ATOM 1646 CA LYS A 101 1.544 8.893 -3.177 1.00 1.43 C ATOM 1647 C LYS A 101 2.001 9.204 -1.750 1.00 1.37 C ATOM 1648 O LYS A 101 1.278 8.972 -0.783 1.00 1.55 O ATOM 1649 CB LYS A 101 0.751 10.079 -3.748 1.00 2.06 C ATOM 1650 CG LYS A 101 0.344 11.126 -2.713 1.00 2.92 C ATOM 1651 CD LYS A 101 -1.067 10.868 -2.201 1.00 3.76 C ATOM 1652 CE LYS A 101 -1.465 11.837 -1.098 1.00 4.58 C ATOM 1653 NZ LYS A 101 -1.010 11.387 0.246 1.00 5.15 N ATOM 0 H LYS A 101 0.109 7.542 -2.446 1.00 1.07 H new ATOM 0 HA LYS A 101 2.448 8.713 -3.758 1.00 1.43 H new ATOM 0 HB2 LYS A 101 1.350 10.563 -4.519 1.00 2.06 H new ATOM 0 HB3 LYS A 101 -0.147 9.699 -4.234 1.00 2.06 H new ATOM 0 HG2 LYS A 101 1.046 11.110 -1.879 1.00 2.92 H new ATOM 0 HG3 LYS A 101 0.398 12.120 -3.156 1.00 2.92 H new ATOM 0 HD2 LYS A 101 -1.772 10.952 -3.028 1.00 3.76 H new ATOM 0 HD3 LYS A 101 -1.135 9.847 -1.827 1.00 3.76 H new ATOM 0 HE2 LYS A 101 -1.043 12.819 -1.311 1.00 4.58 H new ATOM 0 HE3 LYS A 101 -2.549 11.951 -1.092 1.00 4.58 H new ATOM 0 HZ1 LYS A 101 -1.215 12.127 0.948 1.00 5.15 H new ATOM 0 HZ2 LYS A 101 -1.510 10.514 0.507 1.00 5.15 H new ATOM 0 HZ3 LYS A 101 0.014 11.206 0.223 1.00 5.15 H new ATOM 1667 N MET A 102 3.218 9.716 -1.640 1.00 1.76 N ATOM 1668 CA MET A 102 3.688 10.350 -0.416 1.00 2.21 C ATOM 1669 C MET A 102 3.640 11.855 -0.626 1.00 2.42 C ATOM 1670 O MET A 102 4.501 12.416 -1.294 1.00 2.62 O ATOM 1671 CB MET A 102 5.114 9.906 -0.081 1.00 2.82 C ATOM 1672 CG MET A 102 5.722 10.663 1.089 1.00 3.61 C ATOM 1673 SD MET A 102 7.433 10.198 1.409 1.00 4.57 S ATOM 1674 CE MET A 102 7.837 11.356 2.716 1.00 5.14 C ATOM 0 H MET A 102 3.906 9.704 -2.393 1.00 1.76 H new ATOM 0 HA MET A 102 3.052 10.059 0.420 1.00 2.21 H new ATOM 0 HB2 MET A 102 5.111 8.840 0.148 1.00 2.82 H new ATOM 0 HB3 MET A 102 5.745 10.042 -0.959 1.00 2.82 H new ATOM 0 HG2 MET A 102 5.673 11.733 0.888 1.00 3.61 H new ATOM 0 HG3 MET A 102 5.127 10.479 1.983 1.00 3.61 H new ATOM 0 HE1 MET A 102 8.869 11.202 3.032 1.00 5.14 H new ATOM 0 HE2 MET A 102 7.718 12.375 2.349 1.00 5.14 H new ATOM 0 HE3 MET A 102 7.170 11.196 3.563 1.00 5.14 H new ATOM 1684 N ASP A 103 2.632 12.502 -0.063 1.00 2.92 N ATOM 1685 CA ASP A 103 2.286 13.866 -0.458 1.00 3.46 C ATOM 1686 C ASP A 103 3.395 14.865 -0.207 1.00 3.62 C ATOM 1687 O ASP A 103 4.242 14.691 0.670 1.00 3.77 O ATOM 1688 CB ASP A 103 1.011 14.349 0.220 1.00 4.39 C ATOM 1689 CG ASP A 103 1.209 14.681 1.687 1.00 5.03 C ATOM 1690 OD1 ASP A 103 1.357 13.745 2.497 1.00 5.64 O ATOM 1691 OD2 ASP A 103 1.218 15.879 2.038 1.00 5.25 O ATOM 0 H ASP A 103 2.038 12.109 0.667 1.00 2.92 H new ATOM 0 HA ASP A 103 2.125 13.812 -1.535 1.00 3.46 H new ATOM 0 HB2 ASP A 103 0.642 15.233 -0.300 1.00 4.39 H new ATOM 0 HB3 ASP A 103 0.243 13.581 0.127 1.00 4.39 H new ATOM 1696 N GLU A 104 3.306 15.930 -0.994 1.00 4.02 N ATOM 1697 CA GLU A 104 4.320 16.954 -1.146 1.00 4.43 C ATOM 1698 C GLU A 104 4.180 17.490 -2.556 1.00 4.28 C ATOM 1699 O GLU A 104 4.222 18.692 -2.807 1.00 4.73 O ATOM 1700 CB GLU A 104 5.713 16.379 -0.988 1.00 4.95 C ATOM 1701 CG GLU A 104 6.815 17.421 -1.081 1.00 5.34 C ATOM 1702 CD GLU A 104 8.195 16.817 -1.217 1.00 6.03 C ATOM 1703 OE1 GLU A 104 8.886 17.128 -2.209 1.00 6.26 O ATOM 1704 OE2 GLU A 104 8.597 16.029 -0.336 1.00 6.61 O ATOM 0 H GLU A 104 2.483 16.107 -1.570 1.00 4.02 H new ATOM 0 HA GLU A 104 4.186 17.725 -0.387 1.00 4.43 H new ATOM 0 HB2 GLU A 104 5.782 15.875 -0.024 1.00 4.95 H new ATOM 0 HB3 GLU A 104 5.874 15.622 -1.756 1.00 4.95 H new ATOM 0 HG2 GLU A 104 6.623 18.069 -1.936 1.00 5.34 H new ATOM 0 HG3 GLU A 104 6.787 18.051 -0.192 1.00 5.34 H new ATOM 1711 N ARG A 105 3.968 16.532 -3.450 1.00 3.93 N ATOM 1712 CA ARG A 105 3.920 16.735 -4.883 1.00 3.96 C ATOM 1713 C ARG A 105 3.801 15.391 -5.650 1.00 3.41 C ATOM 1714 O ARG A 105 3.331 15.393 -6.791 1.00 3.35 O ATOM 1715 CB ARG A 105 5.153 17.506 -5.334 1.00 4.49 C ATOM 1716 CG ARG A 105 6.411 16.672 -5.487 1.00 4.98 C ATOM 1717 CD ARG A 105 7.522 17.467 -6.150 1.00 5.81 C ATOM 1718 NE ARG A 105 8.728 16.671 -6.360 1.00 6.29 N ATOM 1719 CZ ARG A 105 9.743 17.054 -7.135 1.00 7.10 C ATOM 1720 NH1 ARG A 105 9.688 18.211 -7.782 1.00 7.50 N ATOM 1721 NH2 ARG A 105 10.811 16.279 -7.267 1.00 7.74 N ATOM 0 H ARG A 105 3.820 15.559 -3.182 1.00 3.93 H new ATOM 0 HA ARG A 105 3.028 17.317 -5.115 1.00 3.96 H new ATOM 0 HB2 ARG A 105 4.934 17.985 -6.288 1.00 4.49 H new ATOM 0 HB3 ARG A 105 5.348 18.302 -4.615 1.00 4.49 H new ATOM 0 HG2 ARG A 105 6.742 16.327 -4.508 1.00 4.98 H new ATOM 0 HG3 ARG A 105 6.192 15.784 -6.081 1.00 4.98 H new ATOM 0 HD2 ARG A 105 7.170 17.848 -7.109 1.00 5.81 H new ATOM 0 HD3 ARG A 105 7.764 18.332 -5.533 1.00 5.81 H new ATOM 0 HE ARG A 105 8.798 15.770 -5.887 1.00 6.29 H new ATOM 0 HH11 ARG A 105 8.868 18.810 -7.687 1.00 7.50 H new ATOM 0 HH12 ARG A 105 10.466 18.502 -8.374 1.00 7.50 H new ATOM 0 HH21 ARG A 105 10.858 15.387 -6.775 1.00 7.74 H new ATOM 0 HH22 ARG A 105 11.586 16.575 -7.861 1.00 7.74 H new ATOM 1735 N PRO A 106 4.257 14.223 -5.078 1.00 3.33 N ATOM 1736 CA PRO A 106 4.004 12.886 -5.676 1.00 3.10 C ATOM 1737 C PRO A 106 2.510 12.609 -5.974 1.00 2.43 C ATOM 1738 O PRO A 106 1.677 13.491 -5.784 1.00 2.29 O ATOM 1739 CB PRO A 106 4.557 11.938 -4.602 1.00 3.53 C ATOM 1740 CG PRO A 106 5.665 12.702 -4.003 1.00 4.00 C ATOM 1741 CD PRO A 106 5.128 14.089 -3.880 1.00 3.83 C ATOM 0 HA PRO A 106 4.472 12.775 -6.654 1.00 3.10 H new ATOM 0 HB2 PRO A 106 3.798 11.685 -3.862 1.00 3.53 H new ATOM 0 HB3 PRO A 106 4.905 11.000 -5.035 1.00 3.53 H new ATOM 0 HG2 PRO A 106 5.949 12.297 -3.032 1.00 4.00 H new ATOM 0 HG3 PRO A 106 6.555 12.674 -4.632 1.00 4.00 H new ATOM 0 HD2 PRO A 106 4.565 14.223 -2.956 1.00 3.83 H new ATOM 0 HD3 PRO A 106 5.926 14.831 -3.877 1.00 3.83 H new ATOM 1749 N PRO A 107 2.175 11.374 -6.450 1.00 2.31 N ATOM 1750 CA PRO A 107 0.846 10.998 -7.000 1.00 1.85 C ATOM 1751 C PRO A 107 -0.436 11.478 -6.299 1.00 1.51 C ATOM 1752 O PRO A 107 -0.451 12.259 -5.350 1.00 1.80 O ATOM 1753 CB PRO A 107 0.890 9.475 -6.991 1.00 2.23 C ATOM 1754 CG PRO A 107 2.311 9.166 -7.276 1.00 2.91 C ATOM 1755 CD PRO A 107 3.105 10.220 -6.556 1.00 2.93 C ATOM 0 HA PRO A 107 0.743 11.501 -7.962 1.00 1.85 H new ATOM 0 HB2 PRO A 107 0.577 9.071 -6.028 1.00 2.23 H new ATOM 0 HB3 PRO A 107 0.228 9.050 -7.746 1.00 2.23 H new ATOM 0 HG2 PRO A 107 2.574 8.168 -6.924 1.00 2.91 H new ATOM 0 HG3 PRO A 107 2.510 9.189 -8.347 1.00 2.91 H new ATOM 0 HD2 PRO A 107 3.424 9.875 -5.573 1.00 2.93 H new ATOM 0 HD3 PRO A 107 4.006 10.485 -7.108 1.00 2.93 H new ATOM 1763 N GLN A 108 -1.530 10.966 -6.839 1.00 1.09 N ATOM 1764 CA GLN A 108 -2.879 11.296 -6.427 1.00 0.94 C ATOM 1765 C GLN A 108 -3.723 10.030 -6.647 1.00 0.70 C ATOM 1766 O GLN A 108 -3.123 8.986 -6.901 1.00 0.64 O ATOM 1767 CB GLN A 108 -3.377 12.498 -7.243 1.00 1.18 C ATOM 1768 CG GLN A 108 -3.549 12.210 -8.723 1.00 1.72 C ATOM 1769 CD GLN A 108 -4.038 13.418 -9.493 1.00 2.15 C ATOM 1770 OE1 GLN A 108 -3.245 14.213 -9.995 1.00 2.57 O ATOM 1771 NE2 GLN A 108 -5.347 13.572 -9.585 1.00 2.71 N ATOM 0 H GLN A 108 -1.499 10.288 -7.600 1.00 1.09 H new ATOM 0 HA GLN A 108 -2.942 11.590 -5.379 1.00 0.94 H new ATOM 0 HB2 GLN A 108 -4.331 12.831 -6.835 1.00 1.18 H new ATOM 0 HB3 GLN A 108 -2.674 13.322 -7.123 1.00 1.18 H new ATOM 0 HG2 GLN A 108 -2.598 11.878 -9.139 1.00 1.72 H new ATOM 0 HG3 GLN A 108 -4.256 11.390 -8.851 1.00 1.72 H new ATOM 0 HE21 GLN A 108 -5.972 12.890 -9.155 1.00 2.71 H new ATOM 0 HE22 GLN A 108 -5.732 14.372 -10.086 1.00 2.71 H new ATOM 1780 N PRO A 109 -5.077 10.042 -6.518 1.00 0.68 N ATOM 1781 CA PRO A 109 -5.888 8.841 -6.786 1.00 0.55 C ATOM 1782 C PRO A 109 -5.490 8.160 -8.096 1.00 0.56 C ATOM 1783 O PRO A 109 -5.789 8.657 -9.185 1.00 0.80 O ATOM 1784 CB PRO A 109 -7.306 9.389 -6.881 1.00 0.65 C ATOM 1785 CG PRO A 109 -7.303 10.596 -6.019 1.00 0.82 C ATOM 1786 CD PRO A 109 -5.925 11.188 -6.125 1.00 0.91 C ATOM 0 HA PRO A 109 -5.762 8.080 -6.016 1.00 0.55 H new ATOM 0 HB2 PRO A 109 -7.566 9.638 -7.910 1.00 0.65 H new ATOM 0 HB3 PRO A 109 -8.037 8.658 -6.536 1.00 0.65 H new ATOM 0 HG2 PRO A 109 -8.059 11.310 -6.347 1.00 0.82 H new ATOM 0 HG3 PRO A 109 -7.536 10.337 -4.986 1.00 0.82 H new ATOM 0 HD2 PRO A 109 -5.888 11.986 -6.867 1.00 0.91 H new ATOM 0 HD3 PRO A 109 -5.601 11.619 -5.178 1.00 0.91 H new ATOM 1794 N LEU A 110 -4.817 7.022 -7.985 1.00 0.49 N ATOM 1795 CA LEU A 110 -4.220 6.373 -9.144 1.00 0.61 C ATOM 1796 C LEU A 110 -4.736 4.952 -9.312 1.00 0.51 C ATOM 1797 O LEU A 110 -4.450 4.285 -10.307 1.00 0.62 O ATOM 1798 CB LEU A 110 -2.693 6.375 -9.000 1.00 0.83 C ATOM 1799 CG LEU A 110 -1.911 5.819 -10.192 1.00 1.22 C ATOM 1800 CD1 LEU A 110 -2.192 6.631 -11.447 1.00 1.89 C ATOM 1801 CD2 LEU A 110 -0.422 5.808 -9.888 1.00 1.61 C ATOM 0 H LEU A 110 -4.671 6.530 -7.104 1.00 0.49 H new ATOM 0 HA LEU A 110 -4.502 6.931 -10.037 1.00 0.61 H new ATOM 0 HB2 LEU A 110 -2.365 7.399 -8.820 1.00 0.83 H new ATOM 0 HB3 LEU A 110 -2.430 5.796 -8.115 1.00 0.83 H new ATOM 0 HG LEU A 110 -2.238 4.794 -10.369 1.00 1.22 H new ATOM 0 HD11 LEU A 110 -1.626 6.218 -12.282 1.00 1.89 H new ATOM 0 HD12 LEU A 110 -3.257 6.591 -11.676 1.00 1.89 H new ATOM 0 HD13 LEU A 110 -1.895 7.667 -11.284 1.00 1.89 H new ATOM 0 HD21 LEU A 110 0.121 5.410 -10.745 1.00 1.61 H new ATOM 0 HD22 LEU A 110 -0.085 6.824 -9.685 1.00 1.61 H new ATOM 0 HD23 LEU A 110 -0.233 5.182 -9.016 1.00 1.61 H new ATOM 1813 N ASN A 111 -5.538 4.510 -8.366 1.00 0.42 N ATOM 1814 CA ASN A 111 -6.056 3.162 -8.366 1.00 0.48 C ATOM 1815 C ASN A 111 -7.451 3.275 -7.846 1.00 0.42 C ATOM 1816 O ASN A 111 -7.812 4.328 -7.356 1.00 0.50 O ATOM 1817 CB ASN A 111 -5.206 2.223 -7.484 1.00 0.60 C ATOM 1818 CG ASN A 111 -3.929 1.742 -8.162 1.00 1.17 C ATOM 1819 OD1 ASN A 111 -2.905 1.547 -7.510 1.00 1.86 O ATOM 1820 ND2 ASN A 111 -3.981 1.526 -9.469 1.00 1.75 N ATOM 0 H ASN A 111 -5.848 5.077 -7.576 1.00 0.42 H new ATOM 0 HA ASN A 111 -6.029 2.727 -9.365 1.00 0.48 H new ATOM 0 HB2 ASN A 111 -4.945 2.742 -6.562 1.00 0.60 H new ATOM 0 HB3 ASN A 111 -5.807 1.358 -7.204 1.00 0.60 H new ATOM 0 HD21 ASN A 111 -3.155 1.188 -9.963 1.00 1.75 H new ATOM 0 HD22 ASN A 111 -4.847 1.698 -9.980 1.00 1.75 H new ATOM 1827 N LYS A 112 -8.255 2.266 -7.977 1.00 0.59 N ATOM 1828 CA LYS A 112 -9.567 2.340 -7.423 1.00 0.60 C ATOM 1829 C LYS A 112 -9.996 1.020 -6.852 1.00 0.72 C ATOM 1830 O LYS A 112 -9.787 -0.033 -7.451 1.00 0.84 O ATOM 1831 CB LYS A 112 -10.551 2.808 -8.473 1.00 0.72 C ATOM 1832 CG LYS A 112 -10.563 1.984 -9.754 1.00 1.33 C ATOM 1833 CD LYS A 112 -11.645 2.464 -10.709 1.00 1.68 C ATOM 1834 CE LYS A 112 -11.734 1.595 -11.956 1.00 2.31 C ATOM 1835 NZ LYS A 112 -10.536 1.726 -12.828 1.00 2.93 N ATOM 0 H LYS A 112 -8.029 1.394 -8.456 1.00 0.59 H new ATOM 0 HA LYS A 112 -9.548 3.063 -6.607 1.00 0.60 H new ATOM 0 HB2 LYS A 112 -11.552 2.797 -8.042 1.00 0.72 H new ATOM 0 HB3 LYS A 112 -10.324 3.844 -8.727 1.00 0.72 H new ATOM 0 HG2 LYS A 112 -9.590 2.050 -10.241 1.00 1.33 H new ATOM 0 HG3 LYS A 112 -10.728 0.934 -9.512 1.00 1.33 H new ATOM 0 HD2 LYS A 112 -12.607 2.462 -10.197 1.00 1.68 H new ATOM 0 HD3 LYS A 112 -11.441 3.495 -10.999 1.00 1.68 H new ATOM 0 HE2 LYS A 112 -11.852 0.552 -11.661 1.00 2.31 H new ATOM 0 HE3 LYS A 112 -12.624 1.869 -12.523 1.00 2.31 H new ATOM 0 HZ1 LYS A 112 -10.653 1.128 -13.671 1.00 2.93 H new ATOM 0 HZ2 LYS A 112 -10.426 2.718 -13.120 1.00 2.93 H new ATOM 0 HZ3 LYS A 112 -9.690 1.423 -12.304 1.00 2.93 H new ATOM 1849 N TRP A 113 -10.600 1.087 -5.692 1.00 0.77 N ATOM 1850 CA TRP A 113 -11.071 -0.096 -5.025 1.00 0.97 C ATOM 1851 C TRP A 113 -12.264 -0.665 -5.750 1.00 1.02 C ATOM 1852 O TRP A 113 -13.323 -0.048 -5.795 1.00 1.12 O ATOM 1853 CB TRP A 113 -11.429 0.186 -3.569 1.00 1.07 C ATOM 1854 CG TRP A 113 -11.922 1.589 -3.321 1.00 0.99 C ATOM 1855 CD1 TRP A 113 -11.165 2.661 -2.944 1.00 0.86 C ATOM 1856 CD2 TRP A 113 -13.271 2.077 -3.429 1.00 1.35 C ATOM 1857 NE1 TRP A 113 -11.946 3.782 -2.841 1.00 1.06 N ATOM 1858 CE2 TRP A 113 -13.240 3.452 -3.129 1.00 1.36 C ATOM 1859 CE3 TRP A 113 -14.497 1.494 -3.760 1.00 1.82 C ATOM 1860 CZ2 TRP A 113 -14.382 4.245 -3.151 1.00 1.79 C ATOM 1861 CZ3 TRP A 113 -15.629 2.283 -3.778 1.00 2.23 C ATOM 1862 CH2 TRP A 113 -15.566 3.646 -3.478 1.00 2.20 C ATOM 0 H TRP A 113 -10.777 1.956 -5.189 1.00 0.77 H new ATOM 0 HA TRP A 113 -10.262 -0.826 -5.036 1.00 0.97 H new ATOM 0 HB2 TRP A 113 -12.196 -0.520 -3.251 1.00 1.07 H new ATOM 0 HB3 TRP A 113 -10.552 0.005 -2.948 1.00 1.07 H new ATOM 0 HD1 TRP A 113 -10.102 2.630 -2.754 1.00 0.86 H new ATOM 0 HE1 TRP A 113 -11.615 4.713 -2.590 1.00 1.06 H new ATOM 0 HE3 TRP A 113 -14.558 0.442 -3.998 1.00 1.82 H new ATOM 0 HZ2 TRP A 113 -14.335 5.298 -2.918 1.00 1.79 H new ATOM 0 HZ3 TRP A 113 -16.581 1.839 -4.029 1.00 2.23 H new ATOM 0 HH2 TRP A 113 -16.469 4.237 -3.505 1.00 2.20 H new ATOM 1873 N ARG A 114 -12.051 -1.824 -6.348 1.00 1.34 N ATOM 1874 CA ARG A 114 -13.111 -2.638 -6.936 1.00 1.50 C ATOM 1875 C ARG A 114 -14.081 -1.840 -7.817 1.00 1.82 C ATOM 1876 O ARG A 114 -13.763 -0.742 -8.279 1.00 2.41 O ATOM 1877 CB ARG A 114 -13.823 -3.430 -5.819 1.00 1.80 C ATOM 1878 CG ARG A 114 -14.393 -2.619 -4.652 1.00 2.76 C ATOM 1879 CD ARG A 114 -15.749 -2.005 -4.969 1.00 3.56 C ATOM 1880 NE ARG A 114 -16.311 -1.303 -3.817 1.00 4.38 N ATOM 1881 CZ ARG A 114 -17.523 -0.749 -3.792 1.00 5.34 C ATOM 1882 NH1 ARG A 114 -18.310 -0.795 -4.860 1.00 5.63 N ATOM 1883 NH2 ARG A 114 -17.946 -0.141 -2.691 1.00 6.29 N ATOM 0 H ARG A 114 -11.123 -2.236 -6.442 1.00 1.34 H new ATOM 0 HA ARG A 114 -12.651 -3.344 -7.627 1.00 1.50 H new ATOM 0 HB2 ARG A 114 -14.639 -3.995 -6.270 1.00 1.80 H new ATOM 0 HB3 ARG A 114 -13.118 -4.156 -5.415 1.00 1.80 H new ATOM 0 HG2 ARG A 114 -14.486 -3.264 -3.778 1.00 2.76 H new ATOM 0 HG3 ARG A 114 -13.692 -1.826 -4.390 1.00 2.76 H new ATOM 0 HD2 ARG A 114 -15.647 -1.311 -5.803 1.00 3.56 H new ATOM 0 HD3 ARG A 114 -16.437 -2.788 -5.288 1.00 3.56 H new ATOM 0 HE ARG A 114 -15.738 -1.232 -2.976 1.00 4.38 H new ATOM 0 HH11 ARG A 114 -17.989 -1.258 -5.711 1.00 5.63 H new ATOM 0 HH12 ARG A 114 -19.236 -0.368 -4.830 1.00 5.63 H new ATOM 0 HH21 ARG A 114 -17.344 -0.099 -1.868 1.00 6.29 H new ATOM 0 HH22 ARG A 114 -18.873 0.284 -2.667 1.00 6.29 H new ATOM 1897 N SER A 115 -15.231 -2.424 -8.102 1.00 2.02 N ATOM 1898 CA SER A 115 -16.242 -1.758 -8.902 1.00 2.76 C ATOM 1899 C SER A 115 -17.308 -1.164 -7.992 1.00 3.19 C ATOM 1900 O SER A 115 -17.421 0.077 -7.941 1.00 3.60 O ATOM 1901 CB SER A 115 -16.861 -2.733 -9.898 1.00 3.33 C ATOM 1902 OG SER A 115 -17.642 -2.062 -10.879 1.00 4.01 O ATOM 1903 OXT SER A 115 -18.002 -1.939 -7.299 1.00 3.62 O ATOM 0 H SER A 115 -15.488 -3.361 -7.790 1.00 2.02 H new ATOM 0 HA SER A 115 -15.775 -0.951 -9.467 1.00 2.76 H new ATOM 0 HB2 SER A 115 -16.071 -3.301 -10.389 1.00 3.33 H new ATOM 0 HB3 SER A 115 -17.485 -3.450 -9.365 1.00 3.33 H new ATOM 0 HG SER A 115 -18.021 -2.718 -11.500 1.00 4.01 H new