USER MOD reduce.3.24.130724 H: found=0, std=0, add=834, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 829 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 92 GLN : amide:sc= -1.69 X(o=-1.5,f=-1.5) USER MOD Set 1.2: A 104 HIS : no HE2:sc= 0.238 K(o=-1.5,f=-4.8) USER MOD Set 2.1: A 91 THR OG1 : rot -99:sc= 0.117 USER MOD Set 2.2: A 93 GLN : amide:sc= 0.118 K(o=0.24,f=-0.29) USER MOD Set 3.1: A 19 TYR OH : rot 180:sc= 0.0881 USER MOD Set 3.2: A 49 TYR OH : rot -25:sc= 0.0935 USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 HIS : no HD1:sc= -0.682 K(o=-0.68,f=-1.7) USER MOD Single : A 16 GLN : amide:sc= 0.402 K(o=0.4,f=-0.83) USER MOD Single : A 20 HIS : no HE2:sc= -0.398 X(o=-0.4,f=-0.47) USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0.0483 USER MOD Single : A 43 SER OG : rot 180:sc= 0.0825 USER MOD Single : A 44 GLN : amide:sc= -0.192 X(o=-0.19,f=-0.44) USER MOD Single : A 46 LYS NZ :NH3+ -107:sc= 0.448 (180deg=-0.0552) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 SER OG : rot -110:sc= 0.63 USER MOD Single : A 61 HIS : no HD1:sc= -0.0608 X(o=-0.061,f=-0.5) USER MOD Single : A 65 GLN : amide:sc= -0.874! C(o=-0.87!,f=-5.7!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -0.208 X(o=-0.21,f=-0.21) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 87 HIS : no HD1:sc=-0.000379 X(o=-0.00038,f=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.0608 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 74:sc= -0.0633 USER MOD ----------------------------------------------------------------- ATOM 66 N GLU A 8 -1.400 10.592 -8.212 1.00 0.00 N ATOM 67 CA GLU A 8 -1.739 11.163 -6.916 1.00 0.00 C ATOM 68 C GLU A 8 -0.563 11.165 -5.947 1.00 0.00 C ATOM 69 O GLU A 8 -0.710 11.565 -4.804 1.00 0.00 O ATOM 70 CB GLU A 8 -2.945 10.405 -6.343 1.00 0.00 C ATOM 71 CG GLU A 8 -4.261 10.893 -6.955 1.00 0.00 C ATOM 72 CD GLU A 8 -4.665 10.357 -8.337 1.00 0.00 C ATOM 73 OE1 GLU A 8 -4.171 9.310 -8.804 1.00 0.00 O ATOM 74 OE2 GLU A 8 -5.494 11.041 -8.990 1.00 0.00 O ATOM 0 HA GLU A 8 -1.999 12.212 -7.057 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -2.828 9.338 -6.533 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -2.976 10.535 -5.261 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -5.062 10.650 -6.257 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -4.214 11.980 -7.021 1.00 0.00 H new ATOM 81 N VAL A 9 0.610 10.736 -6.389 1.00 0.00 N ATOM 82 CA VAL A 9 1.783 10.450 -5.582 1.00 0.00 C ATOM 83 C VAL A 9 2.065 11.625 -4.659 1.00 0.00 C ATOM 84 O VAL A 9 2.159 11.458 -3.452 1.00 0.00 O ATOM 85 CB VAL A 9 2.992 10.159 -6.497 1.00 0.00 C ATOM 86 CG1 VAL A 9 4.109 9.503 -5.696 1.00 0.00 C ATOM 87 CG2 VAL A 9 2.625 9.287 -7.707 1.00 0.00 C ATOM 0 H VAL A 9 0.776 10.569 -7.381 1.00 0.00 H new ATOM 0 HA VAL A 9 1.601 9.567 -4.970 1.00 0.00 H new ATOM 0 HB VAL A 9 3.333 11.117 -6.888 1.00 0.00 H new ATOM 0 HG11 VAL A 9 4.957 9.302 -6.351 1.00 0.00 H new ATOM 0 HG12 VAL A 9 4.421 10.171 -4.893 1.00 0.00 H new ATOM 0 HG13 VAL A 9 3.750 8.566 -5.270 1.00 0.00 H new ATOM 0 HG21 VAL A 9 3.514 9.115 -8.314 1.00 0.00 H new ATOM 0 HG22 VAL A 9 2.232 8.331 -7.361 1.00 0.00 H new ATOM 0 HG23 VAL A 9 1.869 9.795 -8.306 1.00 0.00 H new ATOM 97 N GLN A 10 2.195 12.814 -5.242 1.00 0.00 N ATOM 98 CA GLN A 10 2.689 13.997 -4.560 1.00 0.00 C ATOM 99 C GLN A 10 1.603 14.658 -3.702 1.00 0.00 C ATOM 100 O GLN A 10 1.871 15.665 -3.041 1.00 0.00 O ATOM 101 CB GLN A 10 3.222 14.980 -5.613 1.00 0.00 C ATOM 102 CG GLN A 10 4.145 14.337 -6.668 1.00 0.00 C ATOM 103 CD GLN A 10 5.333 13.563 -6.081 1.00 0.00 C ATOM 104 OE1 GLN A 10 5.853 13.891 -5.020 1.00 0.00 O ATOM 105 NE2 GLN A 10 5.785 12.524 -6.758 1.00 0.00 N ATOM 0 H GLN A 10 1.954 12.980 -6.219 1.00 0.00 H new ATOM 0 HA GLN A 10 3.489 13.705 -3.880 1.00 0.00 H new ATOM 0 HB2 GLN A 10 2.377 15.445 -6.121 1.00 0.00 H new ATOM 0 HB3 GLN A 10 3.767 15.777 -5.107 1.00 0.00 H new ATOM 0 HG2 GLN A 10 3.555 13.660 -7.285 1.00 0.00 H new ATOM 0 HG3 GLN A 10 4.525 15.119 -7.326 1.00 0.00 H new ATOM 0 HE21 GLN A 10 5.345 12.259 -7.640 1.00 0.00 H new ATOM 0 HE22 GLN A 10 6.574 11.986 -6.400 1.00 0.00 H new ATOM 114 N LYS A 11 0.356 14.184 -3.757 1.00 0.00 N ATOM 115 CA LYS A 11 -0.684 14.572 -2.803 1.00 0.00 C ATOM 116 C LYS A 11 -0.329 14.058 -1.406 1.00 0.00 C ATOM 117 O LYS A 11 0.445 13.107 -1.280 1.00 0.00 O ATOM 118 CB LYS A 11 -2.040 13.987 -3.228 1.00 0.00 C ATOM 119 CG LYS A 11 -2.603 14.621 -4.503 1.00 0.00 C ATOM 120 CD LYS A 11 -4.090 14.256 -4.614 1.00 0.00 C ATOM 121 CE LYS A 11 -4.761 14.868 -5.849 1.00 0.00 C ATOM 122 NZ LYS A 11 -4.903 16.335 -5.747 1.00 0.00 N ATOM 0 H LYS A 11 0.040 13.521 -4.464 1.00 0.00 H new ATOM 0 HA LYS A 11 -0.751 15.660 -2.786 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -1.932 12.913 -3.382 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -2.756 14.122 -2.417 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -2.480 15.704 -4.474 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -2.059 14.262 -5.377 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -4.191 13.171 -4.651 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -4.610 14.594 -3.718 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -4.175 14.624 -6.735 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -5.745 14.419 -5.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -5.362 16.700 -6.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -5.484 16.571 -4.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -3.963 16.769 -5.646 1.00 0.00 H new ATOM 136 N PRO A 12 -0.929 14.612 -0.339 1.00 0.00 N ATOM 137 CA PRO A 12 -0.771 14.038 0.984 1.00 0.00 C ATOM 138 C PRO A 12 -1.348 12.631 1.010 1.00 0.00 C ATOM 139 O PRO A 12 -2.203 12.269 0.199 1.00 0.00 O ATOM 140 CB PRO A 12 -1.533 14.954 1.940 1.00 0.00 C ATOM 141 CG PRO A 12 -2.550 15.648 1.048 1.00 0.00 C ATOM 142 CD PRO A 12 -1.865 15.727 -0.312 1.00 0.00 C ATOM 0 HA PRO A 12 0.278 13.963 1.270 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -2.019 14.387 2.734 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -0.868 15.671 2.421 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -3.481 15.084 0.992 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -2.800 16.639 1.426 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -2.590 15.651 -1.122 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -1.347 16.678 -0.436 1.00 0.00 H new ATOM 150 N LEU A 13 -0.955 11.865 2.026 1.00 0.00 N ATOM 151 CA LEU A 13 -1.542 10.563 2.294 1.00 0.00 C ATOM 152 C LEU A 13 -3.055 10.675 2.472 1.00 0.00 C ATOM 153 O LEU A 13 -3.786 9.786 2.043 1.00 0.00 O ATOM 154 CB LEU A 13 -0.850 9.939 3.504 1.00 0.00 C ATOM 155 CG LEU A 13 -1.197 8.451 3.714 1.00 0.00 C ATOM 156 CD1 LEU A 13 -0.012 7.771 4.386 1.00 0.00 C ATOM 157 CD2 LEU A 13 -2.404 8.227 4.622 1.00 0.00 C ATOM 0 H LEU A 13 -0.222 12.133 2.683 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.385 9.903 1.441 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.229 10.039 3.386 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -1.126 10.498 4.398 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.430 8.045 2.730 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.239 6.716 4.543 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.868 7.862 3.750 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.184 8.247 5.347 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.589 7.158 4.724 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -2.205 8.656 5.604 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.281 8.707 4.187 1.00 0.00 H new ATOM 169 N HIS A 14 -3.528 11.767 3.085 1.00 0.00 N ATOM 170 CA HIS A 14 -4.943 11.903 3.424 1.00 0.00 C ATOM 171 C HIS A 14 -5.837 12.186 2.199 1.00 0.00 C ATOM 172 O HIS A 14 -7.028 12.440 2.371 1.00 0.00 O ATOM 173 CB HIS A 14 -5.135 12.918 4.573 1.00 0.00 C ATOM 174 CG HIS A 14 -4.866 14.372 4.254 1.00 0.00 C ATOM 175 ND1 HIS A 14 -5.678 15.202 3.518 1.00 0.00 N ATOM 176 CD2 HIS A 14 -3.835 15.137 4.726 1.00 0.00 C ATOM 177 CE1 HIS A 14 -5.103 16.415 3.464 1.00 0.00 C ATOM 178 NE2 HIS A 14 -3.989 16.434 4.221 1.00 0.00 N ATOM 0 H HIS A 14 -2.951 12.564 3.354 1.00 0.00 H new ATOM 0 HA HIS A 14 -5.286 10.935 3.790 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -6.161 12.834 4.932 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -4.484 12.625 5.397 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -3.041 14.799 5.375 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -5.479 17.253 2.896 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -3.379 17.234 4.392 1.00 0.00 H new ATOM 186 N GLU A 15 -5.297 12.175 0.974 1.00 0.00 N ATOM 187 CA GLU A 15 -6.040 12.377 -0.277 1.00 0.00 C ATOM 188 C GLU A 15 -5.643 11.329 -1.328 1.00 0.00 C ATOM 189 O GLU A 15 -5.853 11.533 -2.528 1.00 0.00 O ATOM 190 CB GLU A 15 -5.821 13.809 -0.805 1.00 0.00 C ATOM 191 CG GLU A 15 -6.201 14.882 0.220 1.00 0.00 C ATOM 192 CD GLU A 15 -6.093 16.301 -0.321 1.00 0.00 C ATOM 193 OE1 GLU A 15 -5.036 16.690 -0.871 1.00 0.00 O ATOM 194 OE2 GLU A 15 -7.068 17.067 -0.161 1.00 0.00 O ATOM 0 H GLU A 15 -4.300 12.021 0.821 1.00 0.00 H new ATOM 0 HA GLU A 15 -7.103 12.249 -0.072 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -4.775 13.933 -1.084 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -6.411 13.952 -1.710 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -7.223 14.706 0.557 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -5.556 14.784 1.093 1.00 0.00 H new ATOM 201 N GLN A 16 -5.017 10.232 -0.896 1.00 0.00 N ATOM 202 CA GLN A 16 -4.747 9.077 -1.741 1.00 0.00 C ATOM 203 C GLN A 16 -6.037 8.299 -2.001 1.00 0.00 C ATOM 204 O GLN A 16 -7.082 8.611 -1.439 1.00 0.00 O ATOM 205 CB GLN A 16 -3.688 8.189 -1.071 1.00 0.00 C ATOM 206 CG GLN A 16 -2.359 8.933 -0.920 1.00 0.00 C ATOM 207 CD GLN A 16 -1.752 9.393 -2.243 1.00 0.00 C ATOM 208 OE1 GLN A 16 -1.839 8.712 -3.262 1.00 0.00 O ATOM 209 NE2 GLN A 16 -1.108 10.545 -2.241 1.00 0.00 N ATOM 0 H GLN A 16 -4.682 10.124 0.061 1.00 0.00 H new ATOM 0 HA GLN A 16 -4.361 9.411 -2.704 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -4.043 7.871 -0.091 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -3.538 7.287 -1.664 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -2.511 9.802 -0.280 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -1.646 8.284 -0.411 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -1.048 11.094 -1.384 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -0.670 10.886 -3.097 1.00 0.00 H new ATOM 218 N LEU A 17 -5.945 7.280 -2.860 1.00 0.00 N ATOM 219 CA LEU A 17 -7.075 6.493 -3.327 1.00 0.00 C ATOM 220 C LEU A 17 -7.022 5.133 -2.653 1.00 0.00 C ATOM 221 O LEU A 17 -8.013 4.673 -2.108 1.00 0.00 O ATOM 222 CB LEU A 17 -7.115 6.376 -4.869 1.00 0.00 C ATOM 223 CG LEU A 17 -5.794 6.285 -5.668 1.00 0.00 C ATOM 224 CD1 LEU A 17 -6.082 5.791 -7.090 1.00 0.00 C ATOM 225 CD2 LEU A 17 -5.075 7.632 -5.829 1.00 0.00 C ATOM 0 H LEU A 17 -5.056 6.977 -3.257 1.00 0.00 H new ATOM 0 HA LEU A 17 -8.001 6.999 -3.054 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -7.704 5.492 -5.113 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -7.664 7.239 -5.246 1.00 0.00 H new ATOM 0 HG LEU A 17 -5.160 5.606 -5.098 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -5.149 5.728 -7.649 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -6.545 4.805 -7.046 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -6.757 6.487 -7.587 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -4.157 7.489 -6.400 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -5.725 8.331 -6.356 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -4.832 8.034 -4.846 1.00 0.00 H new ATOM 237 N TRP A 18 -5.853 4.490 -2.652 1.00 0.00 N ATOM 238 CA TRP A 18 -5.634 3.206 -1.985 1.00 0.00 C ATOM 239 C TRP A 18 -5.659 3.321 -0.467 1.00 0.00 C ATOM 240 O TRP A 18 -5.552 2.302 0.217 1.00 0.00 O ATOM 241 CB TRP A 18 -4.319 2.597 -2.483 1.00 0.00 C ATOM 242 CG TRP A 18 -3.215 3.584 -2.708 1.00 0.00 C ATOM 243 CD1 TRP A 18 -2.793 4.073 -3.899 1.00 0.00 C ATOM 244 CD2 TRP A 18 -2.423 4.261 -1.692 1.00 0.00 C ATOM 245 NE1 TRP A 18 -1.788 4.995 -3.680 1.00 0.00 N ATOM 246 CE2 TRP A 18 -1.508 5.128 -2.341 1.00 0.00 C ATOM 247 CE3 TRP A 18 -2.403 4.246 -0.283 1.00 0.00 C ATOM 248 CZ2 TRP A 18 -0.594 5.911 -1.630 1.00 0.00 C ATOM 249 CZ3 TRP A 18 -1.503 5.039 0.450 1.00 0.00 C ATOM 250 CH2 TRP A 18 -0.580 5.854 -0.223 1.00 0.00 C ATOM 0 H TRP A 18 -5.022 4.851 -3.120 1.00 0.00 H new ATOM 0 HA TRP A 18 -6.460 2.543 -2.243 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -3.982 1.855 -1.760 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -4.510 2.068 -3.417 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -3.181 3.787 -4.866 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -1.313 5.512 -4.420 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -3.096 3.610 0.247 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 0.096 6.555 -2.156 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -1.522 5.021 1.530 1.00 0.00 H new ATOM 0 HH2 TRP A 18 0.138 6.435 0.336 1.00 0.00 H new ATOM 261 N TYR A 19 -5.718 4.531 0.082 1.00 0.00 N ATOM 262 CA TYR A 19 -5.813 4.713 1.514 1.00 0.00 C ATOM 263 C TYR A 19 -7.278 4.517 1.933 1.00 0.00 C ATOM 264 O TYR A 19 -8.105 5.375 1.636 1.00 0.00 O ATOM 265 CB TYR A 19 -5.241 6.081 1.898 1.00 0.00 C ATOM 266 CG TYR A 19 -5.301 6.326 3.388 1.00 0.00 C ATOM 267 CD1 TYR A 19 -4.884 5.322 4.284 1.00 0.00 C ATOM 268 CD2 TYR A 19 -5.825 7.534 3.879 1.00 0.00 C ATOM 269 CE1 TYR A 19 -5.047 5.493 5.663 1.00 0.00 C ATOM 270 CE2 TYR A 19 -5.967 7.725 5.263 1.00 0.00 C ATOM 271 CZ TYR A 19 -5.612 6.692 6.161 1.00 0.00 C ATOM 272 OH TYR A 19 -5.823 6.842 7.495 1.00 0.00 O ATOM 0 H TYR A 19 -5.701 5.400 -0.452 1.00 0.00 H new ATOM 0 HA TYR A 19 -5.219 3.974 2.052 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -4.206 6.148 1.562 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -5.796 6.863 1.380 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -4.436 4.416 3.904 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -6.118 8.315 3.193 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -4.743 4.713 6.345 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -6.348 8.662 5.642 1.00 0.00 H new ATOM 0 HH TYR A 19 -6.216 7.723 7.667 1.00 0.00 H new ATOM 282 N HIS A 20 -7.615 3.388 2.574 1.00 0.00 N ATOM 283 CA HIS A 20 -8.988 3.102 3.019 1.00 0.00 C ATOM 284 C HIS A 20 -9.191 3.329 4.533 1.00 0.00 C ATOM 285 O HIS A 20 -10.288 3.080 5.033 1.00 0.00 O ATOM 286 CB HIS A 20 -9.458 1.695 2.584 1.00 0.00 C ATOM 287 CG HIS A 20 -9.836 1.521 1.137 1.00 0.00 C ATOM 288 ND1 HIS A 20 -11.100 1.236 0.665 1.00 0.00 N ATOM 289 CD2 HIS A 20 -8.973 1.441 0.080 1.00 0.00 C ATOM 290 CE1 HIS A 20 -10.991 0.974 -0.648 1.00 0.00 C ATOM 291 NE2 HIS A 20 -9.712 1.082 -1.044 1.00 0.00 N ATOM 0 H HIS A 20 -6.947 2.650 2.798 1.00 0.00 H new ATOM 0 HA HIS A 20 -9.624 3.828 2.513 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -8.664 0.985 2.815 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -10.318 1.421 3.195 1.00 0.00 H new ATOM 0 HD1 HIS A 20 -11.960 1.226 1.213 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -7.909 1.623 0.111 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -11.816 0.713 -1.294 1.00 0.00 H new ATOM 299 N GLY A 21 -8.201 3.812 5.298 1.00 0.00 N ATOM 300 CA GLY A 21 -8.320 4.054 6.706 1.00 0.00 C ATOM 301 C GLY A 21 -8.130 2.747 7.446 1.00 0.00 C ATOM 302 O GLY A 21 -7.573 1.761 6.963 1.00 0.00 O ATOM 0 H GLY A 21 -7.280 4.044 4.926 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -7.575 4.781 7.028 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -9.298 4.478 6.934 1.00 0.00 H new ATOM 306 N ALA A 22 -8.559 2.768 8.684 1.00 0.00 N ATOM 307 CA ALA A 22 -8.465 1.642 9.599 1.00 0.00 C ATOM 308 C ALA A 22 -9.504 0.560 9.284 1.00 0.00 C ATOM 309 O ALA A 22 -10.492 0.379 10.002 1.00 0.00 O ATOM 310 CB ALA A 22 -8.558 2.135 11.027 1.00 0.00 C ATOM 0 H ALA A 22 -8.997 3.590 9.101 1.00 0.00 H new ATOM 0 HA ALA A 22 -7.493 1.166 9.468 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -8.487 1.288 11.710 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -7.743 2.830 11.226 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -9.511 2.642 11.176 1.00 0.00 H new ATOM 316 N ILE A 23 -9.233 -0.199 8.232 1.00 0.00 N ATOM 317 CA ILE A 23 -10.027 -1.346 7.794 1.00 0.00 C ATOM 318 C ILE A 23 -9.404 -2.638 8.369 1.00 0.00 C ATOM 319 O ILE A 23 -8.171 -2.757 8.411 1.00 0.00 O ATOM 320 CB ILE A 23 -10.262 -1.366 6.251 1.00 0.00 C ATOM 321 CG1 ILE A 23 -9.891 -2.714 5.599 1.00 0.00 C ATOM 322 CG2 ILE A 23 -9.605 -0.211 5.486 1.00 0.00 C ATOM 323 CD1 ILE A 23 -10.290 -2.867 4.141 1.00 0.00 C ATOM 0 H ILE A 23 -8.424 -0.029 7.635 1.00 0.00 H new ATOM 0 HA ILE A 23 -11.037 -1.264 8.196 1.00 0.00 H new ATOM 0 HB ILE A 23 -11.339 -1.224 6.163 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -8.813 -2.852 5.679 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -10.358 -3.515 6.171 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -9.823 -0.309 4.422 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -9.998 0.738 5.851 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -8.526 -0.240 5.640 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -9.983 -3.849 3.781 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -11.371 -2.768 4.047 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -9.802 -2.094 3.547 1.00 0.00 H new ATOM 335 N PRO A 24 -10.225 -3.628 8.766 1.00 0.00 N ATOM 336 CA PRO A 24 -9.776 -4.923 9.266 1.00 0.00 C ATOM 337 C PRO A 24 -9.195 -5.811 8.158 1.00 0.00 C ATOM 338 O PRO A 24 -9.449 -5.619 6.971 1.00 0.00 O ATOM 339 CB PRO A 24 -11.037 -5.566 9.856 1.00 0.00 C ATOM 340 CG PRO A 24 -12.159 -4.988 9.007 1.00 0.00 C ATOM 341 CD PRO A 24 -11.677 -3.571 8.744 1.00 0.00 C ATOM 0 HA PRO A 24 -8.973 -4.805 9.993 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -11.002 -6.653 9.789 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -11.160 -5.315 10.910 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -12.297 -5.548 8.082 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -13.114 -5.001 9.533 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -12.038 -3.209 7.781 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -12.052 -2.885 9.504 1.00 0.00 H new ATOM 349 N ARG A 25 -8.467 -6.866 8.536 1.00 0.00 N ATOM 350 CA ARG A 25 -7.913 -7.822 7.566 1.00 0.00 C ATOM 351 C ARG A 25 -8.987 -8.600 6.809 1.00 0.00 C ATOM 352 O ARG A 25 -8.722 -9.121 5.726 1.00 0.00 O ATOM 353 CB ARG A 25 -6.963 -8.802 8.273 1.00 0.00 C ATOM 354 CG ARG A 25 -7.714 -9.830 9.137 1.00 0.00 C ATOM 355 CD ARG A 25 -6.753 -10.566 10.056 1.00 0.00 C ATOM 356 NE ARG A 25 -7.451 -11.511 10.938 1.00 0.00 N ATOM 357 CZ ARG A 25 -6.841 -12.290 11.838 1.00 0.00 C ATOM 358 NH1 ARG A 25 -5.517 -12.268 11.965 1.00 0.00 N ATOM 359 NH2 ARG A 25 -7.546 -13.094 12.624 1.00 0.00 N ATOM 0 H ARG A 25 -8.246 -7.082 9.508 1.00 0.00 H new ATOM 0 HA ARG A 25 -7.367 -7.235 6.828 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -6.366 -9.326 7.527 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -6.270 -8.242 8.900 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -8.477 -9.326 9.730 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -8.230 -10.544 8.495 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -6.018 -11.104 9.457 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -6.204 -9.844 10.660 1.00 0.00 H new ATOM 0 HE ARG A 25 -8.466 -11.577 10.859 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -4.958 -11.653 11.373 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -5.061 -12.866 12.654 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -8.563 -13.122 12.545 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -7.071 -13.684 13.307 1.00 0.00 H new ATOM 373 N ALA A 26 -10.169 -8.739 7.405 1.00 0.00 N ATOM 374 CA ALA A 26 -11.257 -9.496 6.823 1.00 0.00 C ATOM 375 C ALA A 26 -11.732 -8.804 5.543 1.00 0.00 C ATOM 376 O ALA A 26 -11.944 -9.457 4.522 1.00 0.00 O ATOM 377 CB ALA A 26 -12.367 -9.622 7.870 1.00 0.00 C ATOM 0 H ALA A 26 -10.393 -8.325 8.310 1.00 0.00 H new ATOM 0 HA ALA A 26 -10.938 -10.500 6.542 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -13.198 -10.190 7.452 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -11.981 -10.138 8.749 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -12.713 -8.628 8.155 1.00 0.00 H new ATOM 383 N GLU A 27 -11.881 -7.483 5.610 1.00 0.00 N ATOM 384 CA GLU A 27 -12.525 -6.683 4.575 1.00 0.00 C ATOM 385 C GLU A 27 -11.647 -6.551 3.334 1.00 0.00 C ATOM 386 O GLU A 27 -12.161 -6.428 2.236 1.00 0.00 O ATOM 387 CB GLU A 27 -12.861 -5.313 5.173 1.00 0.00 C ATOM 388 CG GLU A 27 -14.093 -5.368 6.086 1.00 0.00 C ATOM 389 CD GLU A 27 -15.433 -5.419 5.354 1.00 0.00 C ATOM 390 OE1 GLU A 27 -15.729 -6.422 4.668 1.00 0.00 O ATOM 391 OE2 GLU A 27 -16.247 -4.488 5.565 1.00 0.00 O ATOM 0 H GLU A 27 -11.551 -6.930 6.401 1.00 0.00 H new ATOM 0 HA GLU A 27 -13.439 -7.178 4.246 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -12.006 -4.946 5.741 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -13.039 -4.600 4.368 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -14.013 -6.245 6.728 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -14.084 -4.494 6.737 1.00 0.00 H new ATOM 398 N VAL A 28 -10.328 -6.665 3.477 1.00 0.00 N ATOM 399 CA VAL A 28 -9.363 -6.643 2.387 1.00 0.00 C ATOM 400 C VAL A 28 -9.837 -7.520 1.226 1.00 0.00 C ATOM 401 O VAL A 28 -10.021 -6.997 0.134 1.00 0.00 O ATOM 402 CB VAL A 28 -7.976 -7.066 2.908 1.00 0.00 C ATOM 403 CG1 VAL A 28 -6.950 -7.150 1.773 1.00 0.00 C ATOM 404 CG2 VAL A 28 -7.444 -6.088 3.965 1.00 0.00 C ATOM 0 H VAL A 28 -9.889 -6.779 4.390 1.00 0.00 H new ATOM 0 HA VAL A 28 -9.278 -5.627 2.001 1.00 0.00 H new ATOM 0 HB VAL A 28 -8.109 -8.050 3.357 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -5.984 -7.451 2.178 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -7.280 -7.884 1.038 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -6.855 -6.175 1.295 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -6.464 -6.420 4.308 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -7.357 -5.093 3.529 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -8.132 -6.055 4.810 1.00 0.00 H new ATOM 414 N ALA A 29 -9.991 -8.835 1.415 1.00 0.00 N ATOM 415 CA ALA A 29 -10.215 -9.734 0.279 1.00 0.00 C ATOM 416 C ALA A 29 -11.546 -9.450 -0.433 1.00 0.00 C ATOM 417 O ALA A 29 -11.734 -9.867 -1.569 1.00 0.00 O ATOM 418 CB ALA A 29 -10.154 -11.201 0.702 1.00 0.00 C ATOM 0 H ALA A 29 -9.965 -9.293 2.326 1.00 0.00 H new ATOM 0 HA ALA A 29 -9.407 -9.540 -0.426 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -10.325 -11.837 -0.166 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -9.172 -11.418 1.123 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -10.921 -11.396 1.451 1.00 0.00 H new ATOM 424 N GLU A 30 -12.477 -8.779 0.241 1.00 0.00 N ATOM 425 CA GLU A 30 -13.735 -8.317 -0.327 1.00 0.00 C ATOM 426 C GLU A 30 -13.513 -7.127 -1.272 1.00 0.00 C ATOM 427 O GLU A 30 -14.316 -6.925 -2.181 1.00 0.00 O ATOM 428 CB GLU A 30 -14.668 -7.985 0.854 1.00 0.00 C ATOM 429 CG GLU A 30 -15.779 -6.962 0.612 1.00 0.00 C ATOM 430 CD GLU A 30 -16.897 -7.476 -0.293 1.00 0.00 C ATOM 431 OE1 GLU A 30 -17.077 -8.715 -0.420 1.00 0.00 O ATOM 432 OE2 GLU A 30 -17.690 -6.645 -0.784 1.00 0.00 O ATOM 0 H GLU A 30 -12.371 -8.536 1.226 1.00 0.00 H new ATOM 0 HA GLU A 30 -14.196 -9.087 -0.946 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -15.133 -8.913 1.187 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -14.052 -7.624 1.678 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -16.206 -6.668 1.571 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -15.346 -6.066 0.167 1.00 0.00 H new ATOM 439 N LEU A 31 -12.456 -6.336 -1.078 1.00 0.00 N ATOM 440 CA LEU A 31 -12.140 -5.159 -1.883 1.00 0.00 C ATOM 441 C LEU A 31 -11.239 -5.525 -3.052 1.00 0.00 C ATOM 442 O LEU A 31 -11.388 -4.978 -4.144 1.00 0.00 O ATOM 443 CB LEU A 31 -11.404 -4.112 -1.034 1.00 0.00 C ATOM 444 CG LEU A 31 -12.179 -3.666 0.224 1.00 0.00 C ATOM 445 CD1 LEU A 31 -11.303 -2.760 1.071 1.00 0.00 C ATOM 446 CD2 LEU A 31 -13.431 -2.851 -0.113 1.00 0.00 C ATOM 0 H LEU A 31 -11.778 -6.503 -0.335 1.00 0.00 H new ATOM 0 HA LEU A 31 -13.083 -4.757 -2.253 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -10.440 -4.519 -0.729 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -11.200 -3.237 -1.651 1.00 0.00 H new ATOM 0 HG LEU A 31 -12.464 -4.581 0.744 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -11.854 -2.447 1.958 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -10.405 -3.300 1.373 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -11.020 -1.881 0.491 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -13.937 -2.564 0.809 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -13.145 -1.955 -0.664 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -14.104 -3.453 -0.724 1.00 0.00 H new ATOM 458 N LEU A 32 -10.243 -6.371 -2.794 1.00 0.00 N ATOM 459 CA LEU A 32 -9.258 -6.778 -3.781 1.00 0.00 C ATOM 460 C LEU A 32 -9.898 -7.876 -4.639 1.00 0.00 C ATOM 461 O LEU A 32 -10.516 -8.778 -4.070 1.00 0.00 O ATOM 462 CB LEU A 32 -7.987 -7.306 -3.086 1.00 0.00 C ATOM 463 CG LEU A 32 -7.426 -6.545 -1.862 1.00 0.00 C ATOM 464 CD1 LEU A 32 -6.089 -7.131 -1.434 1.00 0.00 C ATOM 465 CD2 LEU A 32 -7.234 -5.043 -2.036 1.00 0.00 C ATOM 0 H LEU A 32 -10.100 -6.796 -1.878 1.00 0.00 H new ATOM 0 HA LEU A 32 -8.963 -5.932 -4.402 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -8.186 -8.331 -2.772 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -7.197 -7.350 -3.836 1.00 0.00 H new ATOM 0 HG LEU A 32 -8.202 -6.676 -1.108 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.711 -6.582 -0.572 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.220 -8.180 -1.168 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.377 -7.051 -2.256 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -6.837 -4.618 -1.114 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -6.535 -4.858 -2.852 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -8.193 -4.578 -2.266 1.00 0.00 H new ATOM 477 N VAL A 33 -9.742 -7.853 -5.968 1.00 0.00 N ATOM 478 CA VAL A 33 -10.405 -8.815 -6.866 1.00 0.00 C ATOM 479 C VAL A 33 -9.435 -9.462 -7.850 1.00 0.00 C ATOM 480 O VAL A 33 -9.672 -10.598 -8.283 1.00 0.00 O ATOM 481 CB VAL A 33 -11.566 -8.114 -7.622 1.00 0.00 C ATOM 482 CG1 VAL A 33 -12.368 -9.079 -8.512 1.00 0.00 C ATOM 483 CG2 VAL A 33 -12.544 -7.420 -6.659 1.00 0.00 C ATOM 0 H VAL A 33 -9.157 -7.172 -6.452 1.00 0.00 H new ATOM 0 HA VAL A 33 -10.805 -9.619 -6.248 1.00 0.00 H new ATOM 0 HB VAL A 33 -11.081 -7.371 -8.255 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -13.166 -8.532 -9.015 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -11.707 -9.522 -9.256 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -12.801 -9.867 -7.896 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -13.340 -6.943 -7.230 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -12.975 -8.159 -5.983 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -12.011 -6.666 -6.080 1.00 0.00 H new ATOM 493 N HIS A 34 -8.351 -8.775 -8.194 1.00 0.00 N ATOM 494 CA HIS A 34 -7.335 -9.257 -9.105 1.00 0.00 C ATOM 495 C HIS A 34 -6.032 -9.380 -8.338 1.00 0.00 C ATOM 496 O HIS A 34 -5.742 -8.574 -7.449 1.00 0.00 O ATOM 497 CB HIS A 34 -7.208 -8.293 -10.283 1.00 0.00 C ATOM 498 CG HIS A 34 -8.444 -8.289 -11.142 1.00 0.00 C ATOM 499 ND1 HIS A 34 -8.702 -9.142 -12.192 1.00 0.00 N ATOM 500 CD2 HIS A 34 -9.566 -7.532 -10.931 1.00 0.00 C ATOM 501 CE1 HIS A 34 -9.958 -8.909 -12.593 1.00 0.00 C ATOM 502 NE2 HIS A 34 -10.527 -7.930 -11.866 1.00 0.00 N ATOM 0 H HIS A 34 -8.155 -7.841 -7.833 1.00 0.00 H new ATOM 0 HA HIS A 34 -7.601 -10.234 -9.508 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -7.023 -7.286 -9.909 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -6.346 -8.572 -10.889 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -9.687 -6.766 -10.179 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -10.450 -9.438 -13.396 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -11.469 -7.554 -11.975 1.00 0.00 H new ATOM 510 N SER A 35 -5.222 -10.368 -8.706 1.00 0.00 N ATOM 511 CA SER A 35 -3.850 -10.468 -8.257 1.00 0.00 C ATOM 512 C SER A 35 -3.146 -9.158 -8.618 1.00 0.00 C ATOM 513 O SER A 35 -3.061 -8.792 -9.795 1.00 0.00 O ATOM 514 CB SER A 35 -3.189 -11.724 -8.842 1.00 0.00 C ATOM 515 OG SER A 35 -3.686 -12.058 -10.126 1.00 0.00 O ATOM 0 H SER A 35 -5.508 -11.124 -9.329 1.00 0.00 H new ATOM 0 HA SER A 35 -3.783 -10.593 -7.176 1.00 0.00 H new ATOM 0 HB2 SER A 35 -2.112 -11.567 -8.904 1.00 0.00 H new ATOM 0 HB3 SER A 35 -3.351 -12.563 -8.165 1.00 0.00 H new ATOM 0 HG SER A 35 -3.232 -12.862 -10.453 1.00 0.00 H new ATOM 521 N GLY A 36 -2.737 -8.405 -7.598 1.00 0.00 N ATOM 522 CA GLY A 36 -2.110 -7.104 -7.737 1.00 0.00 C ATOM 523 C GLY A 36 -2.847 -5.973 -7.057 1.00 0.00 C ATOM 524 O GLY A 36 -2.195 -4.962 -6.788 1.00 0.00 O ATOM 0 H GLY A 36 -2.839 -8.698 -6.626 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -1.100 -7.157 -7.331 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -2.016 -6.872 -8.798 1.00 0.00 H new ATOM 528 N ASP A 37 -4.150 -6.123 -6.806 1.00 0.00 N ATOM 529 CA ASP A 37 -4.946 -5.138 -6.077 1.00 0.00 C ATOM 530 C ASP A 37 -4.315 -4.990 -4.704 1.00 0.00 C ATOM 531 O ASP A 37 -4.140 -5.992 -4.010 1.00 0.00 O ATOM 532 CB ASP A 37 -6.422 -5.568 -5.942 1.00 0.00 C ATOM 533 CG ASP A 37 -7.264 -5.222 -7.167 1.00 0.00 C ATOM 534 OD1 ASP A 37 -7.077 -4.134 -7.757 1.00 0.00 O ATOM 535 OD2 ASP A 37 -8.139 -6.033 -7.531 1.00 0.00 O ATOM 0 H ASP A 37 -4.684 -6.938 -7.106 1.00 0.00 H new ATOM 0 HA ASP A 37 -4.950 -4.194 -6.621 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -6.466 -6.644 -5.771 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -6.855 -5.088 -5.064 1.00 0.00 H new ATOM 540 N PHE A 38 -3.983 -3.764 -4.302 1.00 0.00 N ATOM 541 CA PHE A 38 -3.545 -3.431 -2.959 1.00 0.00 C ATOM 542 C PHE A 38 -4.371 -2.273 -2.415 1.00 0.00 C ATOM 543 O PHE A 38 -4.956 -1.480 -3.160 1.00 0.00 O ATOM 544 CB PHE A 38 -2.035 -3.116 -2.907 1.00 0.00 C ATOM 545 CG PHE A 38 -1.605 -1.874 -3.652 1.00 0.00 C ATOM 546 CD1 PHE A 38 -1.734 -0.597 -3.070 1.00 0.00 C ATOM 547 CD2 PHE A 38 -1.103 -2.004 -4.957 1.00 0.00 C ATOM 548 CE1 PHE A 38 -1.447 0.548 -3.830 1.00 0.00 C ATOM 549 CE2 PHE A 38 -0.859 -0.860 -5.727 1.00 0.00 C ATOM 550 CZ PHE A 38 -1.050 0.414 -5.170 1.00 0.00 C ATOM 0 H PHE A 38 -4.014 -2.956 -4.924 1.00 0.00 H new ATOM 0 HA PHE A 38 -3.704 -4.303 -2.325 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -1.738 -3.014 -1.863 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -1.489 -3.969 -3.311 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -2.053 -0.500 -2.043 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -0.906 -2.984 -5.366 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -1.531 1.529 -3.385 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -0.524 -0.958 -6.749 1.00 0.00 H new ATOM 0 HZ PHE A 38 -0.891 1.295 -5.775 1.00 0.00 H new ATOM 560 N LEU A 39 -4.346 -2.149 -1.091 1.00 0.00 N ATOM 561 CA LEU A 39 -4.801 -0.997 -0.337 1.00 0.00 C ATOM 562 C LEU A 39 -3.856 -0.799 0.846 1.00 0.00 C ATOM 563 O LEU A 39 -3.113 -1.715 1.225 1.00 0.00 O ATOM 564 CB LEU A 39 -6.275 -1.175 0.055 1.00 0.00 C ATOM 565 CG LEU A 39 -6.586 -2.188 1.177 1.00 0.00 C ATOM 566 CD1 LEU A 39 -6.608 -1.559 2.554 1.00 0.00 C ATOM 567 CD2 LEU A 39 -7.965 -2.790 0.937 1.00 0.00 C ATOM 0 H LEU A 39 -3.988 -2.891 -0.489 1.00 0.00 H new ATOM 0 HA LEU A 39 -4.769 -0.085 -0.933 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -6.664 -0.203 0.359 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -6.828 -1.475 -0.835 1.00 0.00 H new ATOM 0 HG LEU A 39 -5.793 -2.935 1.149 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -6.832 -2.322 3.299 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -5.635 -1.118 2.768 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -7.373 -0.784 2.588 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -8.191 -3.507 1.726 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -8.714 -1.998 0.941 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -7.978 -3.297 -0.028 1.00 0.00 H new ATOM 579 N VAL A 40 -3.885 0.394 1.429 1.00 0.00 N ATOM 580 CA VAL A 40 -3.242 0.723 2.688 1.00 0.00 C ATOM 581 C VAL A 40 -4.369 0.902 3.692 1.00 0.00 C ATOM 582 O VAL A 40 -5.324 1.654 3.468 1.00 0.00 O ATOM 583 CB VAL A 40 -2.351 1.971 2.570 1.00 0.00 C ATOM 584 CG1 VAL A 40 -1.745 2.337 3.930 1.00 0.00 C ATOM 585 CG2 VAL A 40 -1.197 1.735 1.582 1.00 0.00 C ATOM 0 H VAL A 40 -4.378 1.187 1.018 1.00 0.00 H new ATOM 0 HA VAL A 40 -2.562 -0.067 3.007 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.984 2.783 2.211 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.119 3.223 3.823 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -2.545 2.542 4.641 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.140 1.507 4.294 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.583 2.633 1.518 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -0.586 0.902 1.929 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -1.603 1.502 0.598 1.00 0.00 H new ATOM 595 N ARG A 41 -4.267 0.146 4.778 1.00 0.00 N ATOM 596 CA ARG A 41 -5.179 0.146 5.905 1.00 0.00 C ATOM 597 C ARG A 41 -4.389 0.406 7.173 1.00 0.00 C ATOM 598 O ARG A 41 -3.168 0.515 7.105 1.00 0.00 O ATOM 599 CB ARG A 41 -5.942 -1.179 5.970 1.00 0.00 C ATOM 600 CG ARG A 41 -5.057 -2.389 6.269 1.00 0.00 C ATOM 601 CD ARG A 41 -5.811 -3.665 5.878 1.00 0.00 C ATOM 602 NE ARG A 41 -5.177 -4.861 6.443 1.00 0.00 N ATOM 603 CZ ARG A 41 -5.266 -5.230 7.724 1.00 0.00 C ATOM 604 NH1 ARG A 41 -6.030 -4.546 8.566 1.00 0.00 N ATOM 605 NH2 ARG A 41 -4.579 -6.277 8.168 1.00 0.00 N ATOM 0 H ARG A 41 -3.502 -0.518 4.898 1.00 0.00 H new ATOM 0 HA ARG A 41 -5.921 0.936 5.790 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -6.712 -1.106 6.738 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -6.452 -1.340 5.020 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -4.122 -2.319 5.713 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -4.798 -2.414 7.327 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -6.842 -3.600 6.226 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -5.846 -3.749 4.792 1.00 0.00 H new ATOM 0 HE ARG A 41 -4.631 -5.451 5.815 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -6.553 -3.735 8.236 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -6.095 -4.832 9.543 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -3.981 -6.802 7.530 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -4.650 -6.555 9.147 1.00 0.00 H new ATOM 619 N GLU A 42 -5.029 0.438 8.338 1.00 0.00 N ATOM 620 CA GLU A 42 -4.329 0.584 9.611 1.00 0.00 C ATOM 621 C GLU A 42 -4.439 -0.692 10.451 1.00 0.00 C ATOM 622 O GLU A 42 -5.296 -1.552 10.215 1.00 0.00 O ATOM 623 CB GLU A 42 -4.811 1.851 10.332 1.00 0.00 C ATOM 624 CG GLU A 42 -3.714 2.446 11.228 1.00 0.00 C ATOM 625 CD GLU A 42 -4.130 3.794 11.815 1.00 0.00 C ATOM 626 OE1 GLU A 42 -5.282 3.933 12.290 1.00 0.00 O ATOM 627 OE2 GLU A 42 -3.327 4.749 11.771 1.00 0.00 O ATOM 0 H GLU A 42 -6.042 0.364 8.427 1.00 0.00 H new ATOM 0 HA GLU A 42 -3.262 0.717 9.431 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -5.122 2.593 9.596 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -5.687 1.615 10.937 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.489 1.751 12.037 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -2.799 2.569 10.649 1.00 0.00 H new ATOM 634 N SER A 43 -3.544 -0.819 11.430 1.00 0.00 N ATOM 635 CA SER A 43 -3.531 -1.869 12.432 1.00 0.00 C ATOM 636 C SER A 43 -4.739 -1.710 13.373 1.00 0.00 C ATOM 637 O SER A 43 -5.665 -0.931 13.131 1.00 0.00 O ATOM 638 CB SER A 43 -2.168 -1.842 13.148 1.00 0.00 C ATOM 639 OG SER A 43 -1.938 -3.039 13.870 1.00 0.00 O ATOM 0 H SER A 43 -2.775 -0.159 11.546 1.00 0.00 H new ATOM 0 HA SER A 43 -3.638 -2.856 11.981 1.00 0.00 H new ATOM 0 HB2 SER A 43 -1.374 -1.699 12.415 1.00 0.00 H new ATOM 0 HB3 SER A 43 -2.130 -0.992 13.829 1.00 0.00 H new ATOM 0 HG SER A 43 -1.064 -2.992 14.312 1.00 0.00 H new ATOM 645 N GLN A 44 -4.789 -2.524 14.422 1.00 0.00 N ATOM 646 CA GLN A 44 -5.927 -2.614 15.326 1.00 0.00 C ATOM 647 C GLN A 44 -5.780 -1.568 16.427 1.00 0.00 C ATOM 648 O GLN A 44 -5.325 -1.883 17.526 1.00 0.00 O ATOM 649 CB GLN A 44 -6.027 -4.052 15.855 1.00 0.00 C ATOM 650 CG GLN A 44 -6.369 -5.048 14.732 1.00 0.00 C ATOM 651 CD GLN A 44 -7.755 -4.797 14.139 1.00 0.00 C ATOM 652 OE1 GLN A 44 -7.900 -4.016 13.196 1.00 0.00 O ATOM 653 NE2 GLN A 44 -8.776 -5.432 14.684 1.00 0.00 N ATOM 0 H GLN A 44 -4.024 -3.151 14.671 1.00 0.00 H new ATOM 0 HA GLN A 44 -6.864 -2.396 14.813 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -5.082 -4.336 16.318 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -6.791 -4.102 16.631 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -5.620 -4.975 13.944 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -6.322 -6.064 15.123 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -8.622 -6.072 15.463 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -9.719 -5.283 14.326 1.00 0.00 H new ATOM 662 N GLY A 45 -6.120 -0.317 16.120 1.00 0.00 N ATOM 663 CA GLY A 45 -6.031 0.820 17.032 1.00 0.00 C ATOM 664 C GLY A 45 -4.614 1.374 17.171 1.00 0.00 C ATOM 665 O GLY A 45 -4.436 2.492 17.651 1.00 0.00 O ATOM 0 H GLY A 45 -6.476 -0.060 15.200 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -6.690 1.613 16.679 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -6.394 0.518 18.015 1.00 0.00 H new ATOM 669 N LYS A 46 -3.589 0.622 16.762 1.00 0.00 N ATOM 670 CA LYS A 46 -2.208 1.089 16.720 1.00 0.00 C ATOM 671 C LYS A 46 -2.036 2.088 15.589 1.00 0.00 C ATOM 672 O LYS A 46 -2.734 2.020 14.575 1.00 0.00 O ATOM 673 CB LYS A 46 -1.251 -0.103 16.551 1.00 0.00 C ATOM 674 CG LYS A 46 -0.586 -0.527 17.866 1.00 0.00 C ATOM 675 CD LYS A 46 -1.519 -0.766 19.063 1.00 0.00 C ATOM 676 CE LYS A 46 -2.569 -1.831 18.740 1.00 0.00 C ATOM 677 NZ LYS A 46 -3.574 -1.958 19.809 1.00 0.00 N ATOM 0 H LYS A 46 -3.701 -0.342 16.447 1.00 0.00 H new ATOM 0 HA LYS A 46 -1.967 1.587 17.659 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -1.802 -0.949 16.139 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -0.479 0.158 15.827 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -0.024 -1.443 17.684 1.00 0.00 H new ATOM 0 HG3 LYS A 46 0.137 0.240 18.145 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -0.933 -1.079 19.927 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -2.014 0.167 19.334 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -3.066 -1.578 17.804 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -2.076 -2.792 18.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -3.415 -2.843 20.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -3.492 -1.151 20.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -4.526 -1.970 19.391 1.00 0.00 H new ATOM 691 N GLN A 47 -1.068 2.980 15.754 1.00 0.00 N ATOM 692 CA GLN A 47 -0.735 4.033 14.809 1.00 0.00 C ATOM 693 C GLN A 47 0.315 3.478 13.839 1.00 0.00 C ATOM 694 O GLN A 47 1.427 4.004 13.708 1.00 0.00 O ATOM 695 CB GLN A 47 -0.291 5.273 15.607 1.00 0.00 C ATOM 696 CG GLN A 47 -1.475 5.849 16.407 1.00 0.00 C ATOM 697 CD GLN A 47 -1.041 6.871 17.450 1.00 0.00 C ATOM 698 OE1 GLN A 47 -0.609 6.502 18.540 1.00 0.00 O ATOM 699 NE2 GLN A 47 -1.161 8.152 17.161 1.00 0.00 N ATOM 0 H GLN A 47 -0.472 2.989 16.582 1.00 0.00 H new ATOM 0 HA GLN A 47 -1.581 4.353 14.200 1.00 0.00 H new ATOM 0 HB2 GLN A 47 0.519 5.006 16.286 1.00 0.00 H new ATOM 0 HB3 GLN A 47 0.100 6.030 14.927 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -2.180 6.316 15.719 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -2.004 5.034 16.901 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -1.522 8.438 16.251 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -0.893 8.857 17.848 1.00 0.00 H new ATOM 708 N GLU A 48 0.003 2.350 13.197 1.00 0.00 N ATOM 709 CA GLU A 48 0.861 1.677 12.259 1.00 0.00 C ATOM 710 C GLU A 48 -0.020 1.186 11.129 1.00 0.00 C ATOM 711 O GLU A 48 -1.071 0.583 11.366 1.00 0.00 O ATOM 712 CB GLU A 48 1.567 0.556 13.007 1.00 0.00 C ATOM 713 CG GLU A 48 2.316 -0.398 12.088 1.00 0.00 C ATOM 714 CD GLU A 48 3.209 -1.302 12.931 1.00 0.00 C ATOM 715 OE1 GLU A 48 4.319 -0.853 13.301 1.00 0.00 O ATOM 716 OE2 GLU A 48 2.792 -2.436 13.258 1.00 0.00 O ATOM 0 H GLU A 48 -0.890 1.875 13.331 1.00 0.00 H new ATOM 0 HA GLU A 48 1.632 2.317 11.830 1.00 0.00 H new ATOM 0 HB2 GLU A 48 2.268 0.989 13.720 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.833 -0.006 13.584 1.00 0.00 H new ATOM 0 HG2 GLU A 48 1.611 -0.997 11.512 1.00 0.00 H new ATOM 0 HG3 GLU A 48 2.917 0.163 11.372 1.00 0.00 H new ATOM 723 N TYR A 49 0.396 1.509 9.912 1.00 0.00 N ATOM 724 CA TYR A 49 -0.327 1.156 8.708 1.00 0.00 C ATOM 725 C TYR A 49 0.064 -0.240 8.242 1.00 0.00 C ATOM 726 O TYR A 49 1.100 -0.795 8.617 1.00 0.00 O ATOM 727 CB TYR A 49 -0.121 2.234 7.637 1.00 0.00 C ATOM 728 CG TYR A 49 -0.819 3.543 7.949 1.00 0.00 C ATOM 729 CD1 TYR A 49 -2.220 3.569 8.077 1.00 0.00 C ATOM 730 CD2 TYR A 49 -0.085 4.740 8.072 1.00 0.00 C ATOM 731 CE1 TYR A 49 -2.884 4.776 8.347 1.00 0.00 C ATOM 732 CE2 TYR A 49 -0.746 5.959 8.307 1.00 0.00 C ATOM 733 CZ TYR A 49 -2.151 5.976 8.454 1.00 0.00 C ATOM 734 OH TYR A 49 -2.833 7.135 8.635 1.00 0.00 O ATOM 0 H TYR A 49 1.255 2.029 9.736 1.00 0.00 H new ATOM 0 HA TYR A 49 -1.396 1.120 8.916 1.00 0.00 H new ATOM 0 HB2 TYR A 49 0.947 2.420 7.522 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -0.484 1.858 6.681 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -2.787 2.656 7.967 1.00 0.00 H new ATOM 0 HD2 TYR A 49 0.991 4.721 7.985 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -3.957 4.786 8.473 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -0.182 6.878 8.375 1.00 0.00 H new ATOM 0 HH TYR A 49 -3.743 7.037 8.284 1.00 0.00 H new ATOM 744 N VAL A 50 -0.782 -0.820 7.403 1.00 0.00 N ATOM 745 CA VAL A 50 -0.672 -2.168 6.897 1.00 0.00 C ATOM 746 C VAL A 50 -0.969 -2.064 5.417 1.00 0.00 C ATOM 747 O VAL A 50 -1.961 -1.479 4.993 1.00 0.00 O ATOM 748 CB VAL A 50 -1.645 -3.116 7.620 1.00 0.00 C ATOM 749 CG1 VAL A 50 -1.296 -4.587 7.351 1.00 0.00 C ATOM 750 CG2 VAL A 50 -1.680 -2.846 9.123 1.00 0.00 C ATOM 0 H VAL A 50 -1.603 -0.333 7.043 1.00 0.00 H new ATOM 0 HA VAL A 50 0.318 -2.591 7.070 1.00 0.00 H new ATOM 0 HB VAL A 50 -2.639 -2.920 7.217 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -2.002 -5.230 7.876 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -1.352 -4.784 6.280 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -0.286 -4.792 7.705 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.378 -3.534 9.600 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -0.684 -2.990 9.542 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -2.003 -1.820 9.301 1.00 0.00 H new ATOM 760 N LEU A 51 -0.055 -2.587 4.630 1.00 0.00 N ATOM 761 CA LEU A 51 -0.273 -2.859 3.227 1.00 0.00 C ATOM 762 C LEU A 51 -1.027 -4.175 3.166 1.00 0.00 C ATOM 763 O LEU A 51 -0.697 -5.129 3.882 1.00 0.00 O ATOM 764 CB LEU A 51 1.072 -3.005 2.512 1.00 0.00 C ATOM 765 CG LEU A 51 0.924 -2.897 0.987 1.00 0.00 C ATOM 766 CD1 LEU A 51 0.818 -1.425 0.576 1.00 0.00 C ATOM 767 CD2 LEU A 51 2.122 -3.566 0.323 1.00 0.00 C ATOM 0 H LEU A 51 0.879 -2.840 4.954 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.827 -2.054 2.745 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.757 -2.234 2.866 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.516 -3.967 2.767 1.00 0.00 H new ATOM 0 HG LEU A 51 0.014 -3.402 0.664 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.713 -1.356 -0.507 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.052 -0.976 1.054 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.718 -0.894 0.888 1.00 0.00 H new ATOM 0 HD21 LEU A 51 2.025 -3.494 -0.760 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.038 -3.068 0.639 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.161 -4.616 0.615 1.00 0.00 H new ATOM 779 N SER A 52 -2.036 -4.292 2.318 1.00 0.00 N ATOM 780 CA SER A 52 -2.661 -5.580 2.080 1.00 0.00 C ATOM 781 C SER A 52 -2.981 -5.679 0.601 1.00 0.00 C ATOM 782 O SER A 52 -3.496 -4.731 0.015 1.00 0.00 O ATOM 783 CB SER A 52 -3.851 -5.758 3.024 1.00 0.00 C ATOM 784 OG SER A 52 -3.387 -5.684 4.366 1.00 0.00 O ATOM 0 H SER A 52 -2.436 -3.518 1.788 1.00 0.00 H new ATOM 0 HA SER A 52 -2.000 -6.416 2.310 1.00 0.00 H new ATOM 0 HB2 SER A 52 -4.598 -4.985 2.840 1.00 0.00 H new ATOM 0 HB3 SER A 52 -4.335 -6.718 2.844 1.00 0.00 H new ATOM 0 HG SER A 52 -3.446 -6.569 4.782 1.00 0.00 H new ATOM 790 N VAL A 53 -2.554 -6.784 -0.006 1.00 0.00 N ATOM 791 CA VAL A 53 -2.506 -6.988 -1.446 1.00 0.00 C ATOM 792 C VAL A 53 -2.868 -8.440 -1.740 1.00 0.00 C ATOM 793 O VAL A 53 -2.436 -9.336 -1.012 1.00 0.00 O ATOM 794 CB VAL A 53 -1.132 -6.582 -2.009 1.00 0.00 C ATOM 795 CG1 VAL A 53 0.051 -7.180 -1.227 1.00 0.00 C ATOM 796 CG2 VAL A 53 -1.002 -6.873 -3.525 1.00 0.00 C ATOM 0 H VAL A 53 -2.219 -7.593 0.517 1.00 0.00 H new ATOM 0 HA VAL A 53 -3.232 -6.349 -1.949 1.00 0.00 H new ATOM 0 HB VAL A 53 -1.081 -5.502 -1.874 1.00 0.00 H new ATOM 0 HG11 VAL A 53 0.988 -6.853 -1.678 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.010 -6.843 -0.191 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -0.006 -8.268 -1.257 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -0.014 -6.568 -3.871 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -1.135 -7.940 -3.703 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -1.765 -6.316 -4.069 1.00 0.00 H new ATOM 806 N LEU A 54 -3.692 -8.660 -2.760 1.00 0.00 N ATOM 807 CA LEU A 54 -4.191 -9.954 -3.171 1.00 0.00 C ATOM 808 C LEU A 54 -3.125 -10.526 -4.071 1.00 0.00 C ATOM 809 O LEU A 54 -2.831 -9.952 -5.120 1.00 0.00 O ATOM 810 CB LEU A 54 -5.542 -9.781 -3.877 1.00 0.00 C ATOM 811 CG LEU A 54 -6.367 -11.056 -4.109 1.00 0.00 C ATOM 812 CD1 LEU A 54 -6.629 -11.808 -2.809 1.00 0.00 C ATOM 813 CD2 LEU A 54 -7.654 -10.716 -4.847 1.00 0.00 C ATOM 0 H LEU A 54 -4.042 -7.901 -3.345 1.00 0.00 H new ATOM 0 HA LEU A 54 -4.376 -10.631 -2.337 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -6.145 -9.087 -3.292 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -5.363 -9.311 -4.844 1.00 0.00 H new ATOM 0 HG LEU A 54 -5.786 -11.733 -4.736 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -7.215 -12.703 -3.018 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -5.680 -12.094 -2.356 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -7.180 -11.166 -2.122 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -8.233 -11.626 -5.007 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -8.239 -10.014 -4.253 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -7.413 -10.265 -5.810 1.00 0.00 H new ATOM 825 N TRP A 55 -2.487 -11.600 -3.624 1.00 0.00 N ATOM 826 CA TRP A 55 -1.377 -12.185 -4.332 1.00 0.00 C ATOM 827 C TRP A 55 -1.705 -13.643 -4.554 1.00 0.00 C ATOM 828 O TRP A 55 -1.616 -14.442 -3.621 1.00 0.00 O ATOM 829 CB TRP A 55 -0.065 -11.936 -3.579 1.00 0.00 C ATOM 830 CG TRP A 55 1.117 -11.935 -4.487 1.00 0.00 C ATOM 831 CD1 TRP A 55 2.152 -12.801 -4.477 1.00 0.00 C ATOM 832 CD2 TRP A 55 1.369 -11.004 -5.570 1.00 0.00 C ATOM 833 NE1 TRP A 55 3.060 -12.434 -5.459 1.00 0.00 N ATOM 834 CE2 TRP A 55 2.631 -11.317 -6.155 1.00 0.00 C ATOM 835 CE3 TRP A 55 0.656 -9.901 -6.080 1.00 0.00 C ATOM 836 CZ2 TRP A 55 3.215 -10.500 -7.139 1.00 0.00 C ATOM 837 CZ3 TRP A 55 1.209 -9.120 -7.109 1.00 0.00 C ATOM 838 CH2 TRP A 55 2.475 -9.421 -7.639 1.00 0.00 C ATOM 0 H TRP A 55 -2.731 -12.083 -2.760 1.00 0.00 H new ATOM 0 HA TRP A 55 -1.223 -11.722 -5.307 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -0.122 -10.979 -3.060 1.00 0.00 H new ATOM 0 HB3 TRP A 55 0.066 -12.705 -2.817 1.00 0.00 H new ATOM 0 HD1 TRP A 55 2.256 -13.645 -3.811 1.00 0.00 H new ATOM 0 HE1 TRP A 55 3.934 -12.925 -5.645 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -0.317 -9.656 -5.680 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 4.213 -10.700 -7.501 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 0.654 -8.278 -7.497 1.00 0.00 H new ATOM 0 HH2 TRP A 55 2.880 -8.816 -8.437 1.00 0.00 H new ATOM 849 N ASP A 56 -2.094 -13.971 -5.788 1.00 0.00 N ATOM 850 CA ASP A 56 -2.420 -15.331 -6.206 1.00 0.00 C ATOM 851 C ASP A 56 -3.533 -15.915 -5.326 1.00 0.00 C ATOM 852 O ASP A 56 -3.451 -17.034 -4.821 1.00 0.00 O ATOM 853 CB ASP A 56 -1.118 -16.140 -6.268 1.00 0.00 C ATOM 854 CG ASP A 56 -1.314 -17.598 -6.652 1.00 0.00 C ATOM 855 OD1 ASP A 56 -2.030 -17.882 -7.639 1.00 0.00 O ATOM 856 OD2 ASP A 56 -0.632 -18.456 -6.045 1.00 0.00 O ATOM 0 H ASP A 56 -2.192 -13.285 -6.536 1.00 0.00 H new ATOM 0 HA ASP A 56 -2.844 -15.360 -7.210 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -0.446 -15.673 -6.987 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -0.627 -16.094 -5.296 1.00 0.00 H new ATOM 861 N GLY A 57 -4.586 -15.118 -5.124 1.00 0.00 N ATOM 862 CA GLY A 57 -5.792 -15.463 -4.382 1.00 0.00 C ATOM 863 C GLY A 57 -5.655 -15.254 -2.876 1.00 0.00 C ATOM 864 O GLY A 57 -6.627 -15.458 -2.154 1.00 0.00 O ATOM 0 H GLY A 57 -4.617 -14.168 -5.494 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -6.622 -14.861 -4.751 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -6.044 -16.506 -4.576 1.00 0.00 H new ATOM 868 N LEU A 58 -4.481 -14.845 -2.388 1.00 0.00 N ATOM 869 CA LEU A 58 -4.179 -14.766 -0.964 1.00 0.00 C ATOM 870 C LEU A 58 -3.897 -13.303 -0.605 1.00 0.00 C ATOM 871 O LEU A 58 -2.835 -12.788 -0.960 1.00 0.00 O ATOM 872 CB LEU A 58 -3.023 -15.729 -0.656 1.00 0.00 C ATOM 873 CG LEU A 58 -2.605 -15.944 0.809 1.00 0.00 C ATOM 874 CD1 LEU A 58 -1.789 -14.773 1.354 1.00 0.00 C ATOM 875 CD2 LEU A 58 -3.761 -16.266 1.758 1.00 0.00 C ATOM 0 H LEU A 58 -3.705 -14.556 -2.983 1.00 0.00 H new ATOM 0 HA LEU A 58 -5.017 -15.080 -0.342 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -3.286 -16.702 -1.070 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -2.147 -15.377 -1.201 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.975 -16.833 0.777 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.517 -14.970 2.391 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -0.884 -14.652 0.758 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.383 -13.860 1.302 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.375 -16.402 2.768 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -4.477 -15.445 1.750 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -4.255 -17.181 1.432 1.00 0.00 H new ATOM 887 N PRO A 59 -4.813 -12.606 0.089 1.00 0.00 N ATOM 888 CA PRO A 59 -4.622 -11.248 0.587 1.00 0.00 C ATOM 889 C PRO A 59 -3.529 -11.212 1.662 1.00 0.00 C ATOM 890 O PRO A 59 -3.787 -11.408 2.854 1.00 0.00 O ATOM 891 CB PRO A 59 -5.991 -10.800 1.101 1.00 0.00 C ATOM 892 CG PRO A 59 -6.623 -12.117 1.531 1.00 0.00 C ATOM 893 CD PRO A 59 -6.097 -13.120 0.530 1.00 0.00 C ATOM 0 HA PRO A 59 -4.273 -10.564 -0.187 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -5.904 -10.100 1.932 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -6.574 -10.303 0.325 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -6.338 -12.383 2.549 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -7.711 -12.064 1.508 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -5.988 -14.105 0.984 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -6.783 -13.230 -0.310 1.00 0.00 H new ATOM 901 N ARG A 60 -2.287 -10.967 1.244 1.00 0.00 N ATOM 902 CA ARG A 60 -1.114 -10.798 2.096 1.00 0.00 C ATOM 903 C ARG A 60 -1.313 -9.594 3.028 1.00 0.00 C ATOM 904 O ARG A 60 -2.198 -8.764 2.801 1.00 0.00 O ATOM 905 CB ARG A 60 0.113 -10.597 1.190 1.00 0.00 C ATOM 906 CG ARG A 60 0.455 -11.761 0.236 1.00 0.00 C ATOM 907 CD ARG A 60 1.190 -12.887 0.970 1.00 0.00 C ATOM 908 NE ARG A 60 1.556 -14.008 0.087 1.00 0.00 N ATOM 909 CZ ARG A 60 2.442 -14.968 0.387 1.00 0.00 C ATOM 910 NH1 ARG A 60 3.051 -14.996 1.570 1.00 0.00 N ATOM 911 NH2 ARG A 60 2.705 -15.903 -0.515 1.00 0.00 N ATOM 0 H ARG A 60 -2.063 -10.877 0.253 1.00 0.00 H new ATOM 0 HA ARG A 60 -0.964 -11.679 2.720 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -0.046 -9.700 0.592 1.00 0.00 H new ATOM 0 HB3 ARG A 60 0.979 -10.408 1.824 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -0.461 -12.151 -0.208 1.00 0.00 H new ATOM 0 HG3 ARG A 60 1.074 -11.393 -0.582 1.00 0.00 H new ATOM 0 HD2 ARG A 60 2.093 -12.485 1.430 1.00 0.00 H new ATOM 0 HD3 ARG A 60 0.559 -13.259 1.777 1.00 0.00 H new ATOM 0 HE ARG A 60 1.100 -14.057 -0.824 1.00 0.00 H new ATOM 0 HH11 ARG A 60 2.846 -14.279 2.266 1.00 0.00 H new ATOM 0 HH12 ARG A 60 3.722 -15.734 1.781 1.00 0.00 H new ATOM 0 HH21 ARG A 60 2.236 -15.884 -1.421 1.00 0.00 H new ATOM 0 HH22 ARG A 60 3.377 -16.641 -0.304 1.00 0.00 H new ATOM 925 N HIS A 61 -0.494 -9.467 4.077 1.00 0.00 N ATOM 926 CA HIS A 61 -0.628 -8.413 5.087 1.00 0.00 C ATOM 927 C HIS A 61 0.750 -7.944 5.572 1.00 0.00 C ATOM 928 O HIS A 61 1.223 -8.319 6.652 1.00 0.00 O ATOM 929 CB HIS A 61 -1.530 -8.890 6.248 1.00 0.00 C ATOM 930 CG HIS A 61 -1.149 -10.221 6.871 1.00 0.00 C ATOM 931 ND1 HIS A 61 -0.285 -10.435 7.923 1.00 0.00 N ATOM 932 CD2 HIS A 61 -1.607 -11.446 6.473 1.00 0.00 C ATOM 933 CE1 HIS A 61 -0.198 -11.760 8.124 1.00 0.00 C ATOM 934 NE2 HIS A 61 -0.975 -12.429 7.252 1.00 0.00 N ATOM 0 H HIS A 61 0.288 -10.099 4.250 1.00 0.00 H new ATOM 0 HA HIS A 61 -1.114 -7.549 4.634 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -1.521 -8.128 7.028 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -2.555 -8.960 5.883 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -2.331 -11.627 5.693 1.00 0.00 H new ATOM 0 HE1 HIS A 61 0.413 -12.226 8.883 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -1.083 -13.440 7.173 1.00 0.00 H new ATOM 942 N PHE A 62 1.445 -7.162 4.755 1.00 0.00 N ATOM 943 CA PHE A 62 2.740 -6.595 5.097 1.00 0.00 C ATOM 944 C PHE A 62 2.491 -5.336 5.904 1.00 0.00 C ATOM 945 O PHE A 62 1.694 -4.495 5.510 1.00 0.00 O ATOM 946 CB PHE A 62 3.546 -6.317 3.819 1.00 0.00 C ATOM 947 CG PHE A 62 3.636 -7.527 2.920 1.00 0.00 C ATOM 948 CD1 PHE A 62 4.487 -8.590 3.262 1.00 0.00 C ATOM 949 CD2 PHE A 62 2.811 -7.626 1.785 1.00 0.00 C ATOM 950 CE1 PHE A 62 4.522 -9.741 2.462 1.00 0.00 C ATOM 951 CE2 PHE A 62 2.858 -8.778 0.985 1.00 0.00 C ATOM 952 CZ PHE A 62 3.707 -9.849 1.330 1.00 0.00 C ATOM 0 H PHE A 62 1.119 -6.901 3.824 1.00 0.00 H new ATOM 0 HA PHE A 62 3.332 -7.289 5.694 1.00 0.00 H new ATOM 0 HB2 PHE A 62 3.083 -5.495 3.272 1.00 0.00 H new ATOM 0 HB3 PHE A 62 4.551 -5.993 4.090 1.00 0.00 H new ATOM 0 HD1 PHE A 62 5.113 -8.521 4.139 1.00 0.00 H new ATOM 0 HD2 PHE A 62 2.143 -6.817 1.530 1.00 0.00 H new ATOM 0 HE1 PHE A 62 5.185 -10.553 2.722 1.00 0.00 H new ATOM 0 HE2 PHE A 62 2.241 -8.844 0.101 1.00 0.00 H new ATOM 0 HZ PHE A 62 3.728 -10.744 0.726 1.00 0.00 H new ATOM 962 N ILE A 63 3.111 -5.214 7.066 1.00 0.00 N ATOM 963 CA ILE A 63 3.088 -3.955 7.795 1.00 0.00 C ATOM 964 C ILE A 63 3.821 -2.912 6.945 1.00 0.00 C ATOM 965 O ILE A 63 4.807 -3.223 6.264 1.00 0.00 O ATOM 966 CB ILE A 63 3.655 -4.189 9.206 1.00 0.00 C ATOM 967 CG1 ILE A 63 2.639 -4.990 10.049 1.00 0.00 C ATOM 968 CG2 ILE A 63 4.062 -2.906 9.933 1.00 0.00 C ATOM 969 CD1 ILE A 63 1.336 -4.255 10.432 1.00 0.00 C ATOM 0 H ILE A 63 3.632 -5.963 7.522 1.00 0.00 H new ATOM 0 HA ILE A 63 2.084 -3.563 7.956 1.00 0.00 H new ATOM 0 HB ILE A 63 4.575 -4.760 9.080 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.373 -5.892 9.498 1.00 0.00 H new ATOM 0 HG13 ILE A 63 3.133 -5.311 10.966 1.00 0.00 H new ATOM 0 HG21 ILE A 63 4.452 -3.155 10.920 1.00 0.00 H new ATOM 0 HG22 ILE A 63 4.832 -2.391 9.358 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.193 -2.257 10.039 1.00 0.00 H new ATOM 0 HD11 ILE A 63 0.704 -4.919 11.022 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.577 -3.368 11.018 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.806 -3.959 9.527 1.00 0.00 H new ATOM 981 N ILE A 64 3.293 -1.689 6.929 1.00 0.00 N ATOM 982 CA ILE A 64 3.963 -0.562 6.321 1.00 0.00 C ATOM 983 C ILE A 64 5.245 -0.289 7.111 1.00 0.00 C ATOM 984 O ILE A 64 5.327 -0.438 8.331 1.00 0.00 O ATOM 985 CB ILE A 64 3.013 0.646 6.252 1.00 0.00 C ATOM 986 CG1 ILE A 64 1.824 0.410 5.303 1.00 0.00 C ATOM 987 CG2 ILE A 64 3.734 1.948 5.897 1.00 0.00 C ATOM 988 CD1 ILE A 64 2.145 0.355 3.816 1.00 0.00 C ATOM 0 H ILE A 64 2.388 -1.461 7.340 1.00 0.00 H new ATOM 0 HA ILE A 64 4.244 -0.775 5.290 1.00 0.00 H new ATOM 0 HB ILE A 64 2.616 0.756 7.261 1.00 0.00 H new ATOM 0 HG12 ILE A 64 1.344 -0.527 5.584 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.094 1.203 5.466 1.00 0.00 H new ATOM 0 HG21 ILE A 64 3.014 2.765 5.863 1.00 0.00 H new ATOM 0 HG22 ILE A 64 4.490 2.162 6.652 1.00 0.00 H new ATOM 0 HG23 ILE A 64 4.212 1.845 4.923 1.00 0.00 H new ATOM 0 HD11 ILE A 64 1.228 0.184 3.252 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.592 1.299 3.505 1.00 0.00 H new ATOM 0 HD13 ILE A 64 2.845 -0.458 3.625 1.00 0.00 H new ATOM 1000 N GLN A 65 6.258 0.079 6.347 1.00 0.00 N ATOM 1001 CA GLN A 65 7.639 0.290 6.739 1.00 0.00 C ATOM 1002 C GLN A 65 7.713 1.435 7.744 1.00 0.00 C ATOM 1003 O GLN A 65 6.756 2.194 7.897 1.00 0.00 O ATOM 1004 CB GLN A 65 8.453 0.589 5.461 1.00 0.00 C ATOM 1005 CG GLN A 65 8.086 -0.376 4.311 1.00 0.00 C ATOM 1006 CD GLN A 65 7.068 0.226 3.351 1.00 0.00 C ATOM 1007 OE1 GLN A 65 5.862 0.084 3.538 1.00 0.00 O ATOM 1008 NE2 GLN A 65 7.508 0.953 2.344 1.00 0.00 N ATOM 0 H GLN A 65 6.123 0.253 5.351 1.00 0.00 H new ATOM 0 HA GLN A 65 8.055 -0.593 7.224 1.00 0.00 H new ATOM 0 HB2 GLN A 65 8.271 1.617 5.146 1.00 0.00 H new ATOM 0 HB3 GLN A 65 9.518 0.506 5.680 1.00 0.00 H new ATOM 0 HG2 GLN A 65 8.989 -0.641 3.760 1.00 0.00 H new ATOM 0 HG3 GLN A 65 7.685 -1.300 4.729 1.00 0.00 H new ATOM 0 HE21 GLN A 65 8.511 1.066 2.196 1.00 0.00 H new ATOM 0 HE22 GLN A 65 6.846 1.403 1.712 1.00 0.00 H new ATOM 1017 N SER A 66 8.859 1.609 8.387 1.00 0.00 N ATOM 1018 CA SER A 66 9.174 2.729 9.247 1.00 0.00 C ATOM 1019 C SER A 66 10.592 2.470 9.762 1.00 0.00 C ATOM 1020 O SER A 66 10.911 1.348 10.159 1.00 0.00 O ATOM 1021 CB SER A 66 8.191 2.790 10.424 1.00 0.00 C ATOM 1022 OG SER A 66 8.258 4.017 11.117 1.00 0.00 O ATOM 0 H SER A 66 9.626 0.940 8.317 1.00 0.00 H new ATOM 0 HA SER A 66 9.103 3.677 8.713 1.00 0.00 H new ATOM 0 HB2 SER A 66 7.177 2.639 10.055 1.00 0.00 H new ATOM 0 HB3 SER A 66 8.404 1.974 11.114 1.00 0.00 H new ATOM 0 HG SER A 66 7.614 4.011 11.856 1.00 0.00 H new ATOM 1028 N LEU A 67 11.430 3.502 9.768 1.00 0.00 N ATOM 1029 CA LEU A 67 12.801 3.442 10.261 1.00 0.00 C ATOM 1030 C LEU A 67 13.049 4.556 11.262 1.00 0.00 C ATOM 1031 O LEU A 67 13.275 4.269 12.442 1.00 0.00 O ATOM 1032 CB LEU A 67 13.856 3.419 9.141 1.00 0.00 C ATOM 1033 CG LEU A 67 13.610 4.290 7.894 1.00 0.00 C ATOM 1034 CD1 LEU A 67 14.928 4.377 7.126 1.00 0.00 C ATOM 1035 CD2 LEU A 67 12.529 3.707 6.971 1.00 0.00 C ATOM 0 H LEU A 67 11.168 4.425 9.422 1.00 0.00 H new ATOM 0 HA LEU A 67 12.916 2.486 10.772 1.00 0.00 H new ATOM 0 HB2 LEU A 67 14.810 3.720 9.575 1.00 0.00 H new ATOM 0 HB3 LEU A 67 13.968 2.387 8.810 1.00 0.00 H new ATOM 0 HG LEU A 67 13.258 5.269 8.218 1.00 0.00 H new ATOM 0 HD11 LEU A 67 14.790 4.988 6.234 1.00 0.00 H new ATOM 0 HD12 LEU A 67 15.690 4.829 7.761 1.00 0.00 H new ATOM 0 HD13 LEU A 67 15.246 3.376 6.834 1.00 0.00 H new ATOM 0 HD21 LEU A 67 12.396 4.360 6.109 1.00 0.00 H new ATOM 0 HD22 LEU A 67 12.835 2.717 6.633 1.00 0.00 H new ATOM 0 HD23 LEU A 67 11.588 3.630 7.516 1.00 0.00 H new ATOM 1047 N ASP A 68 13.031 5.808 10.807 1.00 0.00 N ATOM 1048 CA ASP A 68 13.209 6.977 11.657 1.00 0.00 C ATOM 1049 C ASP A 68 12.250 8.081 11.233 1.00 0.00 C ATOM 1050 O ASP A 68 11.420 8.520 12.026 1.00 0.00 O ATOM 1051 CB ASP A 68 14.665 7.461 11.592 1.00 0.00 C ATOM 1052 CG ASP A 68 15.282 7.656 12.969 1.00 0.00 C ATOM 1053 OD1 ASP A 68 14.587 8.021 13.943 1.00 0.00 O ATOM 1054 OD2 ASP A 68 16.520 7.479 13.080 1.00 0.00 O ATOM 0 H ASP A 68 12.890 6.039 9.823 1.00 0.00 H new ATOM 0 HA ASP A 68 12.985 6.706 12.689 1.00 0.00 H new ATOM 0 HB2 ASP A 68 15.259 6.739 11.032 1.00 0.00 H new ATOM 0 HB3 ASP A 68 14.706 8.402 11.043 1.00 0.00 H new ATOM 1059 N ASN A 69 12.316 8.506 9.969 1.00 0.00 N ATOM 1060 CA ASN A 69 11.536 9.599 9.411 1.00 0.00 C ATOM 1061 C ASN A 69 10.929 9.241 8.048 1.00 0.00 C ATOM 1062 O ASN A 69 10.554 10.130 7.287 1.00 0.00 O ATOM 1063 CB ASN A 69 12.444 10.840 9.332 1.00 0.00 C ATOM 1064 CG ASN A 69 11.661 12.127 9.122 1.00 0.00 C ATOM 1065 OD1 ASN A 69 11.713 12.743 8.059 1.00 0.00 O ATOM 1066 ND2 ASN A 69 10.960 12.586 10.145 1.00 0.00 N ATOM 0 H ASN A 69 12.940 8.078 9.285 1.00 0.00 H new ATOM 0 HA ASN A 69 10.685 9.808 10.059 1.00 0.00 H new ATOM 0 HB2 ASN A 69 13.025 10.919 10.251 1.00 0.00 H new ATOM 0 HB3 ASN A 69 13.154 10.714 8.515 1.00 0.00 H new ATOM 0 HD21 ASN A 69 10.450 13.465 10.060 1.00 0.00 H new ATOM 0 HD22 ASN A 69 10.929 12.061 11.019 1.00 0.00 H new ATOM 1073 N LEU A 70 10.971 7.960 7.664 1.00 0.00 N ATOM 1074 CA LEU A 70 10.806 7.512 6.280 1.00 0.00 C ATOM 1075 C LEU A 70 10.053 6.177 6.262 1.00 0.00 C ATOM 1076 O LEU A 70 9.614 5.678 7.297 1.00 0.00 O ATOM 1077 CB LEU A 70 12.171 7.367 5.555 1.00 0.00 C ATOM 1078 CG LEU A 70 13.215 8.490 5.763 1.00 0.00 C ATOM 1079 CD1 LEU A 70 14.631 7.942 5.589 1.00 0.00 C ATOM 1080 CD2 LEU A 70 12.985 9.665 4.811 1.00 0.00 C ATOM 0 H LEU A 70 11.123 7.193 8.319 1.00 0.00 H new ATOM 0 HA LEU A 70 10.231 8.268 5.744 1.00 0.00 H new ATOM 0 HB2 LEU A 70 12.622 6.426 5.872 1.00 0.00 H new ATOM 0 HB3 LEU A 70 11.976 7.283 4.486 1.00 0.00 H new ATOM 0 HG LEU A 70 13.096 8.860 6.781 1.00 0.00 H new ATOM 0 HD11 LEU A 70 15.353 8.745 5.739 1.00 0.00 H new ATOM 0 HD12 LEU A 70 14.808 7.154 6.320 1.00 0.00 H new ATOM 0 HD13 LEU A 70 14.743 7.536 4.584 1.00 0.00 H new ATOM 0 HD21 LEU A 70 13.739 10.431 4.990 1.00 0.00 H new ATOM 0 HD22 LEU A 70 13.058 9.318 3.780 1.00 0.00 H new ATOM 0 HD23 LEU A 70 11.994 10.084 4.983 1.00 0.00 H new ATOM 1092 N TYR A 71 9.956 5.544 5.096 1.00 0.00 N ATOM 1093 CA TYR A 71 9.369 4.227 4.869 1.00 0.00 C ATOM 1094 C TYR A 71 10.252 3.579 3.797 1.00 0.00 C ATOM 1095 O TYR A 71 10.428 4.221 2.766 1.00 0.00 O ATOM 1096 CB TYR A 71 7.955 4.427 4.282 1.00 0.00 C ATOM 1097 CG TYR A 71 7.051 5.301 5.116 1.00 0.00 C ATOM 1098 CD1 TYR A 71 7.019 6.690 4.924 1.00 0.00 C ATOM 1099 CD2 TYR A 71 6.268 4.718 6.114 1.00 0.00 C ATOM 1100 CE1 TYR A 71 6.211 7.497 5.749 1.00 0.00 C ATOM 1101 CE2 TYR A 71 5.458 5.502 6.942 1.00 0.00 C ATOM 1102 CZ TYR A 71 5.411 6.903 6.761 1.00 0.00 C ATOM 1103 OH TYR A 71 4.585 7.657 7.542 1.00 0.00 O ATOM 0 H TYR A 71 10.306 5.962 4.234 1.00 0.00 H new ATOM 0 HA TYR A 71 9.308 3.628 5.778 1.00 0.00 H new ATOM 0 HB2 TYR A 71 8.046 4.864 3.288 1.00 0.00 H new ATOM 0 HB3 TYR A 71 7.485 3.451 4.159 1.00 0.00 H new ATOM 0 HD1 TYR A 71 7.614 7.141 4.144 1.00 0.00 H new ATOM 0 HD2 TYR A 71 6.288 3.647 6.249 1.00 0.00 H new ATOM 0 HE1 TYR A 71 6.200 8.568 5.612 1.00 0.00 H new ATOM 0 HE2 TYR A 71 4.869 5.037 7.719 1.00 0.00 H new ATOM 0 HH TYR A 71 4.116 7.077 8.178 1.00 0.00 H new ATOM 1113 N ARG A 72 10.812 2.375 3.985 1.00 0.00 N ATOM 1114 CA ARG A 72 11.707 1.703 3.024 1.00 0.00 C ATOM 1115 C ARG A 72 11.394 0.213 2.975 1.00 0.00 C ATOM 1116 O ARG A 72 11.259 -0.365 4.050 1.00 0.00 O ATOM 1117 CB ARG A 72 13.175 1.914 3.430 1.00 0.00 C ATOM 1118 CG ARG A 72 13.611 1.315 4.780 1.00 0.00 C ATOM 1119 CD ARG A 72 14.190 -0.103 4.690 1.00 0.00 C ATOM 1120 NE ARG A 72 15.611 -0.123 5.057 1.00 0.00 N ATOM 1121 CZ ARG A 72 16.309 -1.170 5.500 1.00 0.00 C ATOM 1122 NH1 ARG A 72 15.809 -2.397 5.476 1.00 0.00 N ATOM 1123 NH2 ARG A 72 17.530 -0.978 5.980 1.00 0.00 N ATOM 0 H ARG A 72 10.653 1.826 4.830 1.00 0.00 H new ATOM 0 HA ARG A 72 11.548 2.134 2.036 1.00 0.00 H new ATOM 0 HB2 ARG A 72 13.808 1.492 2.650 1.00 0.00 H new ATOM 0 HB3 ARG A 72 13.371 2.986 3.454 1.00 0.00 H new ATOM 0 HG2 ARG A 72 14.357 1.970 5.230 1.00 0.00 H new ATOM 0 HG3 ARG A 72 12.752 1.301 5.451 1.00 0.00 H new ATOM 0 HD2 ARG A 72 13.633 -0.768 5.349 1.00 0.00 H new ATOM 0 HD3 ARG A 72 14.069 -0.484 3.676 1.00 0.00 H new ATOM 0 HE ARG A 72 16.119 0.757 4.963 1.00 0.00 H new ATOM 0 HH11 ARG A 72 14.870 -2.558 5.113 1.00 0.00 H new ATOM 0 HH12 ARG A 72 16.364 -3.181 5.821 1.00 0.00 H new ATOM 0 HH21 ARG A 72 17.925 -0.038 6.007 1.00 0.00 H new ATOM 0 HH22 ARG A 72 18.074 -1.770 6.322 1.00 0.00 H new ATOM 1137 N LEU A 73 11.210 -0.403 1.799 1.00 0.00 N ATOM 1138 CA LEU A 73 10.732 -1.795 1.720 1.00 0.00 C ATOM 1139 C LEU A 73 11.776 -2.728 1.120 1.00 0.00 C ATOM 1140 O LEU A 73 12.360 -3.513 1.870 1.00 0.00 O ATOM 1141 CB LEU A 73 9.345 -1.906 1.058 1.00 0.00 C ATOM 1142 CG LEU A 73 8.633 -3.248 1.272 1.00 0.00 C ATOM 1143 CD1 LEU A 73 8.590 -3.772 2.713 1.00 0.00 C ATOM 1144 CD2 LEU A 73 7.189 -3.073 0.805 1.00 0.00 C ATOM 0 H LEU A 73 11.383 0.035 0.894 1.00 0.00 H new ATOM 0 HA LEU A 73 10.586 -2.141 2.743 1.00 0.00 H new ATOM 0 HB2 LEU A 73 8.710 -1.109 1.443 1.00 0.00 H new ATOM 0 HB3 LEU A 73 9.455 -1.736 -0.013 1.00 0.00 H new ATOM 0 HG LEU A 73 9.211 -3.983 0.711 1.00 0.00 H new ATOM 0 HD11 LEU A 73 8.062 -4.725 2.738 1.00 0.00 H new ATOM 0 HD12 LEU A 73 9.607 -3.911 3.080 1.00 0.00 H new ATOM 0 HD13 LEU A 73 8.070 -3.053 3.346 1.00 0.00 H new ATOM 0 HD21 LEU A 73 6.647 -4.009 0.941 1.00 0.00 H new ATOM 0 HD22 LEU A 73 6.710 -2.288 1.390 1.00 0.00 H new ATOM 0 HD23 LEU A 73 7.179 -2.798 -0.250 1.00 0.00 H new ATOM 1156 N GLU A 74 12.033 -2.648 -0.183 1.00 0.00 N ATOM 1157 CA GLU A 74 13.126 -3.362 -0.841 1.00 0.00 C ATOM 1158 C GLU A 74 14.392 -2.513 -0.764 1.00 0.00 C ATOM 1159 O GLU A 74 15.429 -2.994 -0.309 1.00 0.00 O ATOM 1160 CB GLU A 74 12.717 -3.664 -2.292 1.00 0.00 C ATOM 1161 CG GLU A 74 13.811 -4.142 -3.256 1.00 0.00 C ATOM 1162 CD GLU A 74 14.516 -5.439 -2.855 1.00 0.00 C ATOM 1163 OE1 GLU A 74 13.862 -6.463 -2.561 1.00 0.00 O ATOM 1164 OE2 GLU A 74 15.767 -5.478 -2.938 1.00 0.00 O ATOM 0 H GLU A 74 11.480 -2.077 -0.822 1.00 0.00 H new ATOM 0 HA GLU A 74 13.332 -4.311 -0.345 1.00 0.00 H new ATOM 0 HB2 GLU A 74 11.935 -4.423 -2.269 1.00 0.00 H new ATOM 0 HB3 GLU A 74 12.273 -2.761 -2.710 1.00 0.00 H new ATOM 0 HG2 GLU A 74 13.368 -4.279 -4.243 1.00 0.00 H new ATOM 0 HG3 GLU A 74 14.559 -3.355 -3.349 1.00 0.00 H new ATOM 1171 N GLY A 75 14.303 -1.257 -1.202 1.00 0.00 N ATOM 1172 CA GLY A 75 15.433 -0.381 -1.433 1.00 0.00 C ATOM 1173 C GLY A 75 15.461 0.768 -0.430 1.00 0.00 C ATOM 1174 O GLY A 75 15.438 0.551 0.787 1.00 0.00 O ATOM 0 H GLY A 75 13.408 -0.814 -1.410 1.00 0.00 H new ATOM 0 HA2 GLY A 75 16.359 -0.952 -1.360 1.00 0.00 H new ATOM 0 HA3 GLY A 75 15.384 0.019 -2.446 1.00 0.00 H new ATOM 1178 N GLU A 76 15.608 1.991 -0.936 1.00 0.00 N ATOM 1179 CA GLU A 76 15.713 3.209 -0.139 1.00 0.00 C ATOM 1180 C GLU A 76 14.348 3.665 0.399 1.00 0.00 C ATOM 1181 O GLU A 76 13.335 2.990 0.193 1.00 0.00 O ATOM 1182 CB GLU A 76 16.458 4.285 -0.939 1.00 0.00 C ATOM 1183 CG GLU A 76 15.810 4.673 -2.273 1.00 0.00 C ATOM 1184 CD GLU A 76 16.608 5.787 -2.947 1.00 0.00 C ATOM 1185 OE1 GLU A 76 17.861 5.731 -3.015 1.00 0.00 O ATOM 1186 OE2 GLU A 76 15.988 6.747 -3.454 1.00 0.00 O ATOM 0 H GLU A 76 15.659 2.165 -1.940 1.00 0.00 H new ATOM 0 HA GLU A 76 16.304 3.005 0.754 1.00 0.00 H new ATOM 0 HB2 GLU A 76 16.544 5.179 -0.322 1.00 0.00 H new ATOM 0 HB3 GLU A 76 17.471 3.933 -1.134 1.00 0.00 H new ATOM 0 HG2 GLU A 76 15.762 3.803 -2.928 1.00 0.00 H new ATOM 0 HG3 GLU A 76 14.785 5.002 -2.105 1.00 0.00 H new ATOM 1193 N GLY A 77 14.343 4.768 1.156 1.00 0.00 N ATOM 1194 CA GLY A 77 13.185 5.210 1.918 1.00 0.00 C ATOM 1195 C GLY A 77 12.744 6.626 1.586 1.00 0.00 C ATOM 1196 O GLY A 77 13.561 7.467 1.212 1.00 0.00 O ATOM 0 H GLY A 77 15.153 5.380 1.253 1.00 0.00 H new ATOM 0 HA2 GLY A 77 12.356 4.527 1.733 1.00 0.00 H new ATOM 0 HA3 GLY A 77 13.416 5.150 2.982 1.00 0.00 H new ATOM 1200 N PHE A 78 11.441 6.892 1.721 1.00 0.00 N ATOM 1201 CA PHE A 78 10.822 8.155 1.326 1.00 0.00 C ATOM 1202 C PHE A 78 10.120 8.744 2.541 1.00 0.00 C ATOM 1203 O PHE A 78 9.760 7.993 3.445 1.00 0.00 O ATOM 1204 CB PHE A 78 9.840 7.969 0.145 1.00 0.00 C ATOM 1205 CG PHE A 78 10.530 7.947 -1.205 1.00 0.00 C ATOM 1206 CD1 PHE A 78 11.258 6.815 -1.619 1.00 0.00 C ATOM 1207 CD2 PHE A 78 10.497 9.093 -2.028 1.00 0.00 C ATOM 1208 CE1 PHE A 78 11.919 6.808 -2.858 1.00 0.00 C ATOM 1209 CE2 PHE A 78 11.167 9.084 -3.267 1.00 0.00 C ATOM 1210 CZ PHE A 78 11.872 7.940 -3.685 1.00 0.00 C ATOM 0 H PHE A 78 10.779 6.223 2.114 1.00 0.00 H new ATOM 0 HA PHE A 78 11.593 8.841 0.976 1.00 0.00 H new ATOM 0 HB2 PHE A 78 9.290 7.037 0.281 1.00 0.00 H new ATOM 0 HB3 PHE A 78 9.108 8.776 0.159 1.00 0.00 H new ATOM 0 HD1 PHE A 78 11.308 5.946 -0.979 1.00 0.00 H new ATOM 0 HD2 PHE A 78 9.960 9.974 -1.709 1.00 0.00 H new ATOM 0 HE1 PHE A 78 12.464 5.931 -3.174 1.00 0.00 H new ATOM 0 HE2 PHE A 78 11.140 9.959 -3.899 1.00 0.00 H new ATOM 0 HZ PHE A 78 12.376 7.934 -4.640 1.00 0.00 H new ATOM 1220 N PRO A 79 9.899 10.065 2.570 1.00 0.00 N ATOM 1221 CA PRO A 79 9.265 10.764 3.685 1.00 0.00 C ATOM 1222 C PRO A 79 7.788 10.409 3.845 1.00 0.00 C ATOM 1223 O PRO A 79 7.219 10.658 4.909 1.00 0.00 O ATOM 1224 CB PRO A 79 9.417 12.253 3.359 1.00 0.00 C ATOM 1225 CG PRO A 79 9.463 12.245 1.836 1.00 0.00 C ATOM 1226 CD PRO A 79 10.283 11.006 1.535 1.00 0.00 C ATOM 0 HA PRO A 79 9.734 10.482 4.627 1.00 0.00 H new ATOM 0 HB2 PRO A 79 8.581 12.840 3.738 1.00 0.00 H new ATOM 0 HB3 PRO A 79 10.324 12.674 3.792 1.00 0.00 H new ATOM 0 HG2 PRO A 79 8.465 12.186 1.401 1.00 0.00 H new ATOM 0 HG3 PRO A 79 9.931 13.146 1.440 1.00 0.00 H new ATOM 0 HD2 PRO A 79 10.065 10.616 0.541 1.00 0.00 H new ATOM 0 HD3 PRO A 79 11.352 11.218 1.566 1.00 0.00 H new ATOM 1234 N SER A 80 7.159 9.836 2.818 1.00 0.00 N ATOM 1235 CA SER A 80 5.733 9.577 2.751 1.00 0.00 C ATOM 1236 C SER A 80 5.554 8.158 2.219 1.00 0.00 C ATOM 1237 O SER A 80 6.391 7.662 1.464 1.00 0.00 O ATOM 1238 CB SER A 80 5.075 10.647 1.861 1.00 0.00 C ATOM 1239 OG SER A 80 5.632 11.928 2.086 1.00 0.00 O ATOM 0 H SER A 80 7.655 9.530 1.981 1.00 0.00 H new ATOM 0 HA SER A 80 5.248 9.639 3.725 1.00 0.00 H new ATOM 0 HB2 SER A 80 5.199 10.375 0.813 1.00 0.00 H new ATOM 0 HB3 SER A 80 4.003 10.676 2.058 1.00 0.00 H new ATOM 0 HG SER A 80 5.193 12.583 1.504 1.00 0.00 H new ATOM 1245 N ILE A 81 4.469 7.504 2.624 1.00 0.00 N ATOM 1246 CA ILE A 81 4.012 6.242 2.071 1.00 0.00 C ATOM 1247 C ILE A 81 3.719 6.472 0.588 1.00 0.00 C ATOM 1248 O ILE A 81 4.239 5.718 -0.233 1.00 0.00 O ATOM 1249 CB ILE A 81 2.800 5.708 2.887 1.00 0.00 C ATOM 1250 CG1 ILE A 81 3.294 5.293 4.288 1.00 0.00 C ATOM 1251 CG2 ILE A 81 2.074 4.533 2.207 1.00 0.00 C ATOM 1252 CD1 ILE A 81 2.215 5.243 5.373 1.00 0.00 C ATOM 0 H ILE A 81 3.867 7.853 3.370 1.00 0.00 H new ATOM 0 HA ILE A 81 4.769 5.461 2.145 1.00 0.00 H new ATOM 0 HB ILE A 81 2.067 6.512 2.955 1.00 0.00 H new ATOM 0 HG12 ILE A 81 3.759 4.310 4.215 1.00 0.00 H new ATOM 0 HG13 ILE A 81 4.071 5.990 4.603 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.240 4.211 2.830 1.00 0.00 H new ATOM 0 HG22 ILE A 81 1.698 4.851 1.234 1.00 0.00 H new ATOM 0 HG23 ILE A 81 2.769 3.704 2.074 1.00 0.00 H new ATOM 0 HD11 ILE A 81 2.664 4.941 6.319 1.00 0.00 H new ATOM 0 HD12 ILE A 81 1.764 6.229 5.484 1.00 0.00 H new ATOM 0 HD13 ILE A 81 1.447 4.523 5.090 1.00 0.00 H new ATOM 1264 N PRO A 82 2.928 7.497 0.203 1.00 0.00 N ATOM 1265 CA PRO A 82 2.528 7.639 -1.189 1.00 0.00 C ATOM 1266 C PRO A 82 3.746 7.874 -2.085 1.00 0.00 C ATOM 1267 O PRO A 82 3.843 7.319 -3.177 1.00 0.00 O ATOM 1268 CB PRO A 82 1.511 8.785 -1.223 1.00 0.00 C ATOM 1269 CG PRO A 82 1.765 9.568 0.060 1.00 0.00 C ATOM 1270 CD PRO A 82 2.245 8.497 1.018 1.00 0.00 C ATOM 0 HA PRO A 82 2.069 6.732 -1.582 1.00 0.00 H new ATOM 0 HB2 PRO A 82 1.651 9.412 -2.104 1.00 0.00 H new ATOM 0 HB3 PRO A 82 0.489 8.407 -1.260 1.00 0.00 H new ATOM 0 HG2 PRO A 82 2.514 10.347 -0.083 1.00 0.00 H new ATOM 0 HG3 PRO A 82 0.860 10.057 0.421 1.00 0.00 H new ATOM 0 HD2 PRO A 82 2.919 8.917 1.765 1.00 0.00 H new ATOM 0 HD3 PRO A 82 1.408 8.054 1.557 1.00 0.00 H new ATOM 1278 N LEU A 83 4.729 8.626 -1.593 1.00 0.00 N ATOM 1279 CA LEU A 83 5.950 8.956 -2.309 1.00 0.00 C ATOM 1280 C LEU A 83 6.922 7.781 -2.367 1.00 0.00 C ATOM 1281 O LEU A 83 7.906 7.903 -3.092 1.00 0.00 O ATOM 1282 CB LEU A 83 6.652 10.125 -1.604 1.00 0.00 C ATOM 1283 CG LEU A 83 6.112 11.519 -1.954 1.00 0.00 C ATOM 1284 CD1 LEU A 83 4.651 11.802 -1.619 1.00 0.00 C ATOM 1285 CD2 LEU A 83 7.004 12.542 -1.265 1.00 0.00 C ATOM 0 H LEU A 83 4.692 9.032 -0.658 1.00 0.00 H new ATOM 0 HA LEU A 83 5.667 9.219 -3.328 1.00 0.00 H new ATOM 0 HB2 LEU A 83 6.570 9.981 -0.527 1.00 0.00 H new ATOM 0 HB3 LEU A 83 7.713 10.092 -1.850 1.00 0.00 H new ATOM 0 HG LEU A 83 6.136 11.580 -3.042 1.00 0.00 H new ATOM 0 HD11 LEU A 83 4.400 12.820 -1.918 1.00 0.00 H new ATOM 0 HD12 LEU A 83 4.012 11.099 -2.154 1.00 0.00 H new ATOM 0 HD13 LEU A 83 4.495 11.690 -0.546 1.00 0.00 H new ATOM 0 HD21 LEU A 83 6.648 13.547 -1.493 1.00 0.00 H new ATOM 0 HD22 LEU A 83 6.975 12.382 -0.187 1.00 0.00 H new ATOM 0 HD23 LEU A 83 8.028 12.430 -1.621 1.00 0.00 H new ATOM 1297 N LEU A 84 6.616 6.623 -1.771 1.00 0.00 N ATOM 1298 CA LEU A 84 7.306 5.376 -2.088 1.00 0.00 C ATOM 1299 C LEU A 84 6.503 4.485 -3.033 1.00 0.00 C ATOM 1300 O LEU A 84 7.092 3.830 -3.889 1.00 0.00 O ATOM 1301 CB LEU A 84 7.620 4.615 -0.793 1.00 0.00 C ATOM 1302 CG LEU A 84 8.988 3.905 -0.751 1.00 0.00 C ATOM 1303 CD1 LEU A 84 8.956 2.799 0.302 1.00 0.00 C ATOM 1304 CD2 LEU A 84 9.510 3.279 -2.050 1.00 0.00 C ATOM 0 H LEU A 84 5.889 6.528 -1.062 1.00 0.00 H new ATOM 0 HA LEU A 84 8.230 5.638 -2.603 1.00 0.00 H new ATOM 0 HB2 LEU A 84 7.569 5.316 0.040 1.00 0.00 H new ATOM 0 HB3 LEU A 84 6.840 3.871 -0.632 1.00 0.00 H new ATOM 0 HG LEU A 84 9.677 4.720 -0.527 1.00 0.00 H new ATOM 0 HD11 LEU A 84 9.923 2.297 0.332 1.00 0.00 H new ATOM 0 HD12 LEU A 84 8.742 3.233 1.279 1.00 0.00 H new ATOM 0 HD13 LEU A 84 8.180 2.077 0.048 1.00 0.00 H new ATOM 0 HD21 LEU A 84 10.480 2.817 -1.867 1.00 0.00 H new ATOM 0 HD22 LEU A 84 8.807 2.522 -2.397 1.00 0.00 H new ATOM 0 HD23 LEU A 84 9.614 4.053 -2.811 1.00 0.00 H new ATOM 1316 N ILE A 85 5.172 4.475 -2.916 1.00 0.00 N ATOM 1317 CA ILE A 85 4.299 3.601 -3.699 1.00 0.00 C ATOM 1318 C ILE A 85 4.617 3.678 -5.191 1.00 0.00 C ATOM 1319 O ILE A 85 4.616 2.646 -5.842 1.00 0.00 O ATOM 1320 CB ILE A 85 2.801 3.893 -3.403 1.00 0.00 C ATOM 1321 CG1 ILE A 85 2.370 3.443 -1.986 1.00 0.00 C ATOM 1322 CG2 ILE A 85 1.836 3.292 -4.449 1.00 0.00 C ATOM 1323 CD1 ILE A 85 2.452 1.938 -1.704 1.00 0.00 C ATOM 0 H ILE A 85 4.667 5.080 -2.268 1.00 0.00 H new ATOM 0 HA ILE A 85 4.494 2.574 -3.391 1.00 0.00 H new ATOM 0 HB ILE A 85 2.725 4.979 -3.463 1.00 0.00 H new ATOM 0 HG12 ILE A 85 2.991 3.963 -1.257 1.00 0.00 H new ATOM 0 HG13 ILE A 85 1.343 3.768 -1.820 1.00 0.00 H new ATOM 0 HG21 ILE A 85 0.809 3.535 -4.178 1.00 0.00 H new ATOM 0 HG22 ILE A 85 2.060 3.707 -5.432 1.00 0.00 H new ATOM 0 HG23 ILE A 85 1.957 2.209 -4.476 1.00 0.00 H new ATOM 0 HD11 ILE A 85 2.126 1.741 -0.683 1.00 0.00 H new ATOM 0 HD12 ILE A 85 1.807 1.402 -2.400 1.00 0.00 H new ATOM 0 HD13 ILE A 85 3.481 1.600 -1.828 1.00 0.00 H new ATOM 1335 N ASP A 86 4.819 4.857 -5.774 1.00 0.00 N ATOM 1336 CA ASP A 86 5.042 5.038 -7.216 1.00 0.00 C ATOM 1337 C ASP A 86 6.355 4.380 -7.620 1.00 0.00 C ATOM 1338 O ASP A 86 6.430 3.695 -8.638 1.00 0.00 O ATOM 1339 CB ASP A 86 5.097 6.535 -7.563 1.00 0.00 C ATOM 1340 CG ASP A 86 4.997 6.822 -9.057 1.00 0.00 C ATOM 1341 OD1 ASP A 86 3.917 6.612 -9.654 1.00 0.00 O ATOM 1342 OD2 ASP A 86 5.961 7.375 -9.637 1.00 0.00 O ATOM 0 H ASP A 86 4.834 5.733 -5.252 1.00 0.00 H new ATOM 0 HA ASP A 86 4.217 4.575 -7.758 1.00 0.00 H new ATOM 0 HB2 ASP A 86 4.285 7.048 -7.048 1.00 0.00 H new ATOM 0 HB3 ASP A 86 6.029 6.953 -7.183 1.00 0.00 H new ATOM 1347 N HIS A 87 7.375 4.537 -6.776 1.00 0.00 N ATOM 1348 CA HIS A 87 8.696 3.955 -6.962 1.00 0.00 C ATOM 1349 C HIS A 87 8.728 2.447 -6.672 1.00 0.00 C ATOM 1350 O HIS A 87 9.770 1.815 -6.863 1.00 0.00 O ATOM 1351 CB HIS A 87 9.725 4.707 -6.111 1.00 0.00 C ATOM 1352 CG HIS A 87 10.915 5.170 -6.904 1.00 0.00 C ATOM 1353 ND1 HIS A 87 11.897 4.381 -7.461 1.00 0.00 N ATOM 1354 CD2 HIS A 87 11.182 6.469 -7.239 1.00 0.00 C ATOM 1355 CE1 HIS A 87 12.743 5.196 -8.110 1.00 0.00 C ATOM 1356 NE2 HIS A 87 12.347 6.478 -8.009 1.00 0.00 N ATOM 0 H HIS A 87 7.299 5.089 -5.921 1.00 0.00 H new ATOM 0 HA HIS A 87 8.956 4.065 -8.015 1.00 0.00 H new ATOM 0 HB2 HIS A 87 9.245 5.570 -5.648 1.00 0.00 H new ATOM 0 HB3 HIS A 87 10.063 4.059 -5.303 1.00 0.00 H new ATOM 0 HD2 HIS A 87 10.597 7.332 -6.958 1.00 0.00 H new ATOM 0 HE1 HIS A 87 13.623 4.867 -8.642 1.00 0.00 H new ATOM 0 HE2 HIS A 87 12.806 7.294 -8.414 1.00 0.00 H new ATOM 1364 N LEU A 88 7.599 1.844 -6.277 1.00 0.00 N ATOM 1365 CA LEU A 88 7.361 0.410 -6.387 1.00 0.00 C ATOM 1366 C LEU A 88 6.463 0.089 -7.577 1.00 0.00 C ATOM 1367 O LEU A 88 6.677 -0.903 -8.271 1.00 0.00 O ATOM 1368 CB LEU A 88 6.660 -0.086 -5.134 1.00 0.00 C ATOM 1369 CG LEU A 88 7.496 -0.066 -3.848 1.00 0.00 C ATOM 1370 CD1 LEU A 88 7.021 -1.284 -3.068 1.00 0.00 C ATOM 1371 CD2 LEU A 88 9.020 -0.184 -3.985 1.00 0.00 C ATOM 0 H LEU A 88 6.816 2.353 -5.866 1.00 0.00 H new ATOM 0 HA LEU A 88 8.328 -0.077 -6.518 1.00 0.00 H new ATOM 0 HB2 LEU A 88 5.769 0.521 -4.975 1.00 0.00 H new ATOM 0 HB3 LEU A 88 6.323 -1.108 -5.310 1.00 0.00 H new ATOM 0 HG LEU A 88 7.346 0.912 -3.391 1.00 0.00 H new ATOM 0 HD11 LEU A 88 7.568 -1.350 -2.128 1.00 0.00 H new ATOM 0 HD12 LEU A 88 5.955 -1.191 -2.862 1.00 0.00 H new ATOM 0 HD13 LEU A 88 7.200 -2.185 -3.655 1.00 0.00 H new ATOM 0 HD21 LEU A 88 9.478 -0.155 -2.996 1.00 0.00 H new ATOM 0 HD22 LEU A 88 9.270 -1.126 -4.473 1.00 0.00 H new ATOM 0 HD23 LEU A 88 9.397 0.646 -4.583 1.00 0.00 H new ATOM 1383 N LEU A 89 5.407 0.872 -7.788 1.00 0.00 N ATOM 1384 CA LEU A 89 4.322 0.556 -8.709 1.00 0.00 C ATOM 1385 C LEU A 89 4.759 0.726 -10.146 1.00 0.00 C ATOM 1386 O LEU A 89 4.290 0.010 -11.023 1.00 0.00 O ATOM 1387 CB LEU A 89 3.109 1.449 -8.422 1.00 0.00 C ATOM 1388 CG LEU A 89 1.792 0.714 -8.686 1.00 0.00 C ATOM 1389 CD1 LEU A 89 0.740 1.271 -7.739 1.00 0.00 C ATOM 1390 CD2 LEU A 89 1.254 0.790 -10.100 1.00 0.00 C ATOM 0 H LEU A 89 5.281 1.765 -7.311 1.00 0.00 H new ATOM 0 HA LEU A 89 4.045 -0.487 -8.558 1.00 0.00 H new ATOM 0 HB2 LEU A 89 3.139 1.782 -7.384 1.00 0.00 H new ATOM 0 HB3 LEU A 89 3.159 2.342 -9.045 1.00 0.00 H new ATOM 0 HG LEU A 89 2.012 -0.341 -8.523 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -0.209 0.762 -7.909 1.00 0.00 H new ATOM 0 HD12 LEU A 89 1.058 1.112 -6.708 1.00 0.00 H new ATOM 0 HD13 LEU A 89 0.616 2.339 -7.920 1.00 0.00 H new ATOM 0 HD21 LEU A 89 0.319 0.233 -10.164 1.00 0.00 H new ATOM 0 HD22 LEU A 89 1.074 1.832 -10.365 1.00 0.00 H new ATOM 0 HD23 LEU A 89 1.981 0.360 -10.789 1.00 0.00 H new ATOM 1402 N SER A 90 5.663 1.657 -10.416 1.00 0.00 N ATOM 1403 CA SER A 90 6.149 1.835 -11.762 1.00 0.00 C ATOM 1404 C SER A 90 7.145 0.719 -12.067 1.00 0.00 C ATOM 1405 O SER A 90 7.216 0.251 -13.203 1.00 0.00 O ATOM 1406 CB SER A 90 6.805 3.212 -11.905 1.00 0.00 C ATOM 1407 OG SER A 90 7.117 3.446 -13.263 1.00 0.00 O ATOM 0 H SER A 90 6.066 2.290 -9.725 1.00 0.00 H new ATOM 0 HA SER A 90 5.324 1.786 -12.472 1.00 0.00 H new ATOM 0 HB2 SER A 90 6.133 3.987 -11.536 1.00 0.00 H new ATOM 0 HB3 SER A 90 7.710 3.260 -11.299 1.00 0.00 H new ATOM 0 HG SER A 90 7.535 4.327 -13.355 1.00 0.00 H new ATOM 1413 N THR A 91 7.935 0.331 -11.061 1.00 0.00 N ATOM 1414 CA THR A 91 9.177 -0.392 -11.255 1.00 0.00 C ATOM 1415 C THR A 91 8.869 -1.889 -11.194 1.00 0.00 C ATOM 1416 O THR A 91 9.419 -2.680 -11.962 1.00 0.00 O ATOM 1417 CB THR A 91 10.237 0.093 -10.234 1.00 0.00 C ATOM 1418 OG1 THR A 91 10.127 -0.566 -8.993 1.00 0.00 O ATOM 1419 CG2 THR A 91 10.176 1.604 -9.929 1.00 0.00 C ATOM 0 H THR A 91 7.720 0.517 -10.081 1.00 0.00 H new ATOM 0 HA THR A 91 9.616 -0.196 -12.233 1.00 0.00 H new ATOM 0 HB THR A 91 11.180 -0.141 -10.727 1.00 0.00 H new ATOM 0 HG1 THR A 91 9.639 0.003 -8.362 1.00 0.00 H new ATOM 0 HG21 THR A 91 10.950 1.861 -9.206 1.00 0.00 H new ATOM 0 HG22 THR A 91 10.336 2.167 -10.848 1.00 0.00 H new ATOM 0 HG23 THR A 91 9.198 1.853 -9.517 1.00 0.00 H new ATOM 1427 N GLN A 92 7.876 -2.246 -10.367 1.00 0.00 N ATOM 1428 CA GLN A 92 7.364 -3.587 -10.128 1.00 0.00 C ATOM 1429 C GLN A 92 8.323 -4.371 -9.226 1.00 0.00 C ATOM 1430 O GLN A 92 8.539 -5.573 -9.421 1.00 0.00 O ATOM 1431 CB GLN A 92 6.982 -4.317 -11.439 1.00 0.00 C ATOM 1432 CG GLN A 92 6.160 -3.503 -12.454 1.00 0.00 C ATOM 1433 CD GLN A 92 4.711 -3.349 -12.020 1.00 0.00 C ATOM 1434 OE1 GLN A 92 3.783 -3.732 -12.725 1.00 0.00 O ATOM 1435 NE2 GLN A 92 4.456 -2.747 -10.879 1.00 0.00 N ATOM 0 H GLN A 92 7.380 -1.549 -9.812 1.00 0.00 H new ATOM 0 HA GLN A 92 6.423 -3.508 -9.584 1.00 0.00 H new ATOM 0 HB2 GLN A 92 7.899 -4.648 -11.927 1.00 0.00 H new ATOM 0 HB3 GLN A 92 6.418 -5.213 -11.181 1.00 0.00 H new ATOM 0 HG2 GLN A 92 6.609 -2.517 -12.576 1.00 0.00 H new ATOM 0 HG3 GLN A 92 6.197 -3.993 -13.427 1.00 0.00 H new ATOM 0 HE21 GLN A 92 5.224 -2.426 -10.289 1.00 0.00 H new ATOM 0 HE22 GLN A 92 3.491 -2.601 -10.584 1.00 0.00 H new ATOM 1444 N GLN A 93 8.932 -3.664 -8.269 1.00 0.00 N ATOM 1445 CA GLN A 93 9.865 -4.226 -7.301 1.00 0.00 C ATOM 1446 C GLN A 93 9.175 -5.233 -6.376 1.00 0.00 C ATOM 1447 O GLN A 93 8.009 -5.033 -6.022 1.00 0.00 O ATOM 1448 CB GLN A 93 10.479 -3.107 -6.443 1.00 0.00 C ATOM 1449 CG GLN A 93 11.865 -2.735 -6.961 1.00 0.00 C ATOM 1450 CD GLN A 93 12.474 -1.564 -6.204 1.00 0.00 C ATOM 1451 OE1 GLN A 93 13.423 -1.712 -5.431 1.00 0.00 O ATOM 1452 NE2 GLN A 93 11.924 -0.382 -6.400 1.00 0.00 N ATOM 0 H GLN A 93 8.783 -2.662 -8.147 1.00 0.00 H new ATOM 0 HA GLN A 93 10.645 -4.740 -7.862 1.00 0.00 H new ATOM 0 HB2 GLN A 93 9.831 -2.231 -6.460 1.00 0.00 H new ATOM 0 HB3 GLN A 93 10.548 -3.433 -5.405 1.00 0.00 H new ATOM 0 HG2 GLN A 93 12.524 -3.599 -6.879 1.00 0.00 H new ATOM 0 HG3 GLN A 93 11.799 -2.484 -8.020 1.00 0.00 H new ATOM 0 HE21 GLN A 93 11.140 -0.285 -7.045 1.00 0.00 H new ATOM 0 HE22 GLN A 93 12.283 0.436 -5.907 1.00 0.00 H new ATOM 1461 N PRO A 94 9.904 -6.264 -5.915 1.00 0.00 N ATOM 1462 CA PRO A 94 9.405 -7.184 -4.913 1.00 0.00 C ATOM 1463 C PRO A 94 9.252 -6.476 -3.561 1.00 0.00 C ATOM 1464 O PRO A 94 10.025 -5.580 -3.229 1.00 0.00 O ATOM 1465 CB PRO A 94 10.406 -8.341 -4.857 1.00 0.00 C ATOM 1466 CG PRO A 94 11.710 -7.718 -5.358 1.00 0.00 C ATOM 1467 CD PRO A 94 11.279 -6.570 -6.273 1.00 0.00 C ATOM 0 HA PRO A 94 8.413 -7.560 -5.163 1.00 0.00 H new ATOM 0 HB2 PRO A 94 10.512 -8.730 -3.844 1.00 0.00 H new ATOM 0 HB3 PRO A 94 10.092 -9.173 -5.487 1.00 0.00 H new ATOM 0 HG2 PRO A 94 12.317 -7.354 -4.529 1.00 0.00 H new ATOM 0 HG3 PRO A 94 12.313 -8.448 -5.899 1.00 0.00 H new ATOM 0 HD2 PRO A 94 11.921 -5.700 -6.135 1.00 0.00 H new ATOM 0 HD3 PRO A 94 11.354 -6.858 -7.322 1.00 0.00 H new ATOM 1475 N LEU A 95 8.303 -6.927 -2.738 1.00 0.00 N ATOM 1476 CA LEU A 95 8.041 -6.373 -1.410 1.00 0.00 C ATOM 1477 C LEU A 95 8.928 -7.025 -0.343 1.00 0.00 C ATOM 1478 O LEU A 95 9.329 -6.371 0.615 1.00 0.00 O ATOM 1479 CB LEU A 95 6.558 -6.539 -1.037 1.00 0.00 C ATOM 1480 CG LEU A 95 5.550 -5.859 -1.984 1.00 0.00 C ATOM 1481 CD1 LEU A 95 4.199 -5.805 -1.270 1.00 0.00 C ATOM 1482 CD2 LEU A 95 5.914 -4.453 -2.463 1.00 0.00 C ATOM 0 H LEU A 95 7.685 -7.701 -2.981 1.00 0.00 H new ATOM 0 HA LEU A 95 8.282 -5.310 -1.446 1.00 0.00 H new ATOM 0 HB2 LEU A 95 6.329 -7.604 -0.997 1.00 0.00 H new ATOM 0 HB3 LEU A 95 6.409 -6.143 -0.032 1.00 0.00 H new ATOM 0 HG LEU A 95 5.540 -6.465 -2.890 1.00 0.00 H new ATOM 0 HD11 LEU A 95 3.464 -5.328 -1.918 1.00 0.00 H new ATOM 0 HD12 LEU A 95 3.871 -6.817 -1.034 1.00 0.00 H new ATOM 0 HD13 LEU A 95 4.297 -5.231 -0.348 1.00 0.00 H new ATOM 0 HD21 LEU A 95 5.131 -4.079 -3.122 1.00 0.00 H new ATOM 0 HD22 LEU A 95 6.012 -3.790 -1.604 1.00 0.00 H new ATOM 0 HD23 LEU A 95 6.859 -4.487 -3.005 1.00 0.00 H new ATOM 1494 N THR A 96 9.213 -8.324 -0.446 1.00 0.00 N ATOM 1495 CA THR A 96 10.058 -9.022 0.515 1.00 0.00 C ATOM 1496 C THR A 96 10.533 -10.328 -0.111 1.00 0.00 C ATOM 1497 O THR A 96 9.771 -10.970 -0.841 1.00 0.00 O ATOM 1498 CB THR A 96 9.281 -9.252 1.832 1.00 0.00 C ATOM 1499 OG1 THR A 96 10.013 -10.064 2.725 1.00 0.00 O ATOM 1500 CG2 THR A 96 7.902 -9.904 1.669 1.00 0.00 C ATOM 0 H THR A 96 8.864 -8.918 -1.198 1.00 0.00 H new ATOM 0 HA THR A 96 10.934 -8.423 0.763 1.00 0.00 H new ATOM 0 HB THR A 96 9.136 -8.243 2.218 1.00 0.00 H new ATOM 0 HG1 THR A 96 9.498 -10.191 3.549 1.00 0.00 H new ATOM 0 HG21 THR A 96 7.438 -10.023 2.648 1.00 0.00 H new ATOM 0 HG22 THR A 96 7.272 -9.272 1.043 1.00 0.00 H new ATOM 0 HG23 THR A 96 8.015 -10.881 1.200 1.00 0.00 H new ATOM 1508 N LYS A 97 11.736 -10.779 0.267 1.00 0.00 N ATOM 1509 CA LYS A 97 12.291 -12.089 -0.067 1.00 0.00 C ATOM 1510 C LYS A 97 11.365 -13.215 0.373 1.00 0.00 C ATOM 1511 O LYS A 97 11.354 -14.275 -0.244 1.00 0.00 O ATOM 1512 CB LYS A 97 13.672 -12.268 0.604 1.00 0.00 C ATOM 1513 CG LYS A 97 14.720 -12.680 -0.431 1.00 0.00 C ATOM 1514 CD LYS A 97 15.109 -11.478 -1.300 1.00 0.00 C ATOM 1515 CE LYS A 97 15.617 -11.909 -2.675 1.00 0.00 C ATOM 1516 NZ LYS A 97 14.534 -12.048 -3.667 1.00 0.00 N ATOM 0 H LYS A 97 12.370 -10.217 0.835 1.00 0.00 H new ATOM 0 HA LYS A 97 12.399 -12.136 -1.151 1.00 0.00 H new ATOM 0 HB2 LYS A 97 13.973 -11.337 1.085 1.00 0.00 H new ATOM 0 HB3 LYS A 97 13.608 -13.024 1.386 1.00 0.00 H new ATOM 0 HG2 LYS A 97 15.603 -13.075 0.072 1.00 0.00 H new ATOM 0 HG3 LYS A 97 14.327 -13.480 -1.059 1.00 0.00 H new ATOM 0 HD2 LYS A 97 14.246 -10.823 -1.421 1.00 0.00 H new ATOM 0 HD3 LYS A 97 15.881 -10.898 -0.793 1.00 0.00 H new ATOM 0 HE2 LYS A 97 16.342 -11.179 -3.035 1.00 0.00 H new ATOM 0 HE3 LYS A 97 16.142 -12.860 -2.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 14.935 -12.342 -4.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 13.854 -12.764 -3.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 14.048 -11.136 -3.780 1.00 0.00 H new ATOM 1530 N LYS A 98 10.584 -12.995 1.433 1.00 0.00 N ATOM 1531 CA LYS A 98 9.656 -13.989 1.949 1.00 0.00 C ATOM 1532 C LYS A 98 8.457 -14.234 1.037 1.00 0.00 C ATOM 1533 O LYS A 98 7.704 -15.175 1.299 1.00 0.00 O ATOM 1534 CB LYS A 98 9.205 -13.564 3.352 1.00 0.00 C ATOM 1535 CG LYS A 98 10.263 -13.864 4.422 1.00 0.00 C ATOM 1536 CD LYS A 98 10.481 -15.380 4.565 1.00 0.00 C ATOM 1537 CE LYS A 98 11.881 -15.804 4.096 1.00 0.00 C ATOM 1538 NZ LYS A 98 12.085 -17.257 4.259 1.00 0.00 N ATOM 0 H LYS A 98 10.582 -12.119 1.955 1.00 0.00 H new ATOM 0 HA LYS A 98 10.182 -14.942 1.994 1.00 0.00 H new ATOM 0 HB2 LYS A 98 8.985 -12.497 3.352 1.00 0.00 H new ATOM 0 HB3 LYS A 98 8.279 -14.081 3.605 1.00 0.00 H new ATOM 0 HG2 LYS A 98 11.203 -13.380 4.156 1.00 0.00 H new ATOM 0 HG3 LYS A 98 9.949 -13.445 5.378 1.00 0.00 H new ATOM 0 HD2 LYS A 98 10.344 -15.670 5.607 1.00 0.00 H new ATOM 0 HD3 LYS A 98 9.727 -15.912 3.984 1.00 0.00 H new ATOM 0 HE2 LYS A 98 12.014 -15.531 3.049 1.00 0.00 H new ATOM 0 HE3 LYS A 98 12.637 -15.263 4.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 13.039 -17.512 3.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 11.981 -17.512 5.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 11.378 -17.772 3.696 1.00 0.00 H new ATOM 1552 N SER A 99 8.260 -13.433 -0.012 1.00 0.00 N ATOM 1553 CA SER A 99 7.165 -13.635 -0.941 1.00 0.00 C ATOM 1554 C SER A 99 7.602 -13.365 -2.396 1.00 0.00 C ATOM 1555 O SER A 99 7.516 -14.250 -3.253 1.00 0.00 O ATOM 1556 CB SER A 99 6.005 -12.734 -0.503 1.00 0.00 C ATOM 1557 OG SER A 99 5.402 -13.112 0.721 1.00 0.00 O ATOM 0 H SER A 99 8.854 -12.634 -0.234 1.00 0.00 H new ATOM 0 HA SER A 99 6.840 -14.675 -0.922 1.00 0.00 H new ATOM 0 HB2 SER A 99 6.369 -11.711 -0.414 1.00 0.00 H new ATOM 0 HB3 SER A 99 5.245 -12.735 -1.284 1.00 0.00 H new ATOM 0 HG SER A 99 4.674 -12.491 0.933 1.00 0.00 H new ATOM 1563 N GLY A 100 8.009 -12.131 -2.708 1.00 0.00 N ATOM 1564 CA GLY A 100 8.142 -11.627 -4.077 1.00 0.00 C ATOM 1565 C GLY A 100 6.821 -11.076 -4.617 1.00 0.00 C ATOM 1566 O GLY A 100 6.592 -11.080 -5.821 1.00 0.00 O ATOM 0 H GLY A 100 8.260 -11.441 -2.001 1.00 0.00 H new ATOM 0 HA2 GLY A 100 8.899 -10.843 -4.103 1.00 0.00 H new ATOM 0 HA3 GLY A 100 8.492 -12.430 -4.726 1.00 0.00 H new ATOM 1570 N VAL A 101 5.951 -10.581 -3.731 1.00 0.00 N ATOM 1571 CA VAL A 101 4.833 -9.712 -4.095 1.00 0.00 C ATOM 1572 C VAL A 101 5.354 -8.477 -4.818 1.00 0.00 C ATOM 1573 O VAL A 101 6.438 -8.040 -4.455 1.00 0.00 O ATOM 1574 CB VAL A 101 4.099 -9.296 -2.816 1.00 0.00 C ATOM 1575 CG1 VAL A 101 2.817 -8.520 -3.066 1.00 0.00 C ATOM 1576 CG2 VAL A 101 3.808 -10.491 -1.920 1.00 0.00 C ATOM 0 H VAL A 101 6.006 -10.776 -2.731 1.00 0.00 H new ATOM 0 HA VAL A 101 4.150 -10.243 -4.758 1.00 0.00 H new ATOM 0 HB VAL A 101 4.787 -8.620 -2.308 1.00 0.00 H new ATOM 0 HG11 VAL A 101 2.356 -8.262 -2.113 1.00 0.00 H new ATOM 0 HG12 VAL A 101 3.045 -7.608 -3.617 1.00 0.00 H new ATOM 0 HG13 VAL A 101 2.128 -9.133 -3.648 1.00 0.00 H new ATOM 0 HG21 VAL A 101 3.287 -10.155 -1.023 1.00 0.00 H new ATOM 0 HG22 VAL A 101 3.183 -11.205 -2.457 1.00 0.00 H new ATOM 0 HG23 VAL A 101 4.745 -10.970 -1.637 1.00 0.00 H new ATOM 1586 N VAL A 102 4.590 -7.862 -5.724 1.00 0.00 N ATOM 1587 CA VAL A 102 4.877 -6.534 -6.268 1.00 0.00 C ATOM 1588 C VAL A 102 3.562 -5.732 -6.285 1.00 0.00 C ATOM 1589 O VAL A 102 2.482 -6.329 -6.236 1.00 0.00 O ATOM 1590 CB VAL A 102 5.602 -6.636 -7.639 1.00 0.00 C ATOM 1591 CG1 VAL A 102 6.421 -7.922 -7.856 1.00 0.00 C ATOM 1592 CG2 VAL A 102 4.718 -6.370 -8.860 1.00 0.00 C ATOM 0 H VAL A 102 3.741 -8.280 -6.106 1.00 0.00 H new ATOM 0 HA VAL A 102 5.581 -5.988 -5.639 1.00 0.00 H new ATOM 0 HB VAL A 102 6.311 -5.812 -7.561 1.00 0.00 H new ATOM 0 HG11 VAL A 102 6.886 -7.895 -8.841 1.00 0.00 H new ATOM 0 HG12 VAL A 102 7.194 -7.994 -7.091 1.00 0.00 H new ATOM 0 HG13 VAL A 102 5.763 -8.788 -7.789 1.00 0.00 H new ATOM 0 HG21 VAL A 102 5.314 -6.464 -9.768 1.00 0.00 H new ATOM 0 HG22 VAL A 102 3.903 -7.093 -8.884 1.00 0.00 H new ATOM 0 HG23 VAL A 102 4.307 -5.362 -8.799 1.00 0.00 H new ATOM 1602 N LEU A 103 3.604 -4.394 -6.310 1.00 0.00 N ATOM 1603 CA LEU A 103 2.394 -3.573 -6.450 1.00 0.00 C ATOM 1604 C LEU A 103 1.963 -3.581 -7.911 1.00 0.00 C ATOM 1605 O LEU A 103 2.803 -3.353 -8.777 1.00 0.00 O ATOM 1606 CB LEU A 103 2.629 -2.106 -6.064 1.00 0.00 C ATOM 1607 CG LEU A 103 3.194 -1.792 -4.672 1.00 0.00 C ATOM 1608 CD1 LEU A 103 3.116 -0.282 -4.469 1.00 0.00 C ATOM 1609 CD2 LEU A 103 2.460 -2.459 -3.509 1.00 0.00 C ATOM 0 H LEU A 103 4.467 -3.855 -6.235 1.00 0.00 H new ATOM 0 HA LEU A 103 1.641 -3.998 -5.786 1.00 0.00 H new ATOM 0 HB2 LEU A 103 3.307 -1.675 -6.801 1.00 0.00 H new ATOM 0 HB3 LEU A 103 1.678 -1.582 -6.161 1.00 0.00 H new ATOM 0 HG LEU A 103 4.210 -2.186 -4.657 1.00 0.00 H new ATOM 0 HD11 LEU A 103 3.511 -0.026 -3.486 1.00 0.00 H new ATOM 0 HD12 LEU A 103 3.704 0.219 -5.238 1.00 0.00 H new ATOM 0 HD13 LEU A 103 2.077 0.041 -4.538 1.00 0.00 H new ATOM 0 HD21 LEU A 103 2.934 -2.176 -2.569 1.00 0.00 H new ATOM 0 HD22 LEU A 103 1.419 -2.136 -3.502 1.00 0.00 H new ATOM 0 HD23 LEU A 103 2.503 -3.542 -3.625 1.00 0.00 H new ATOM 1621 N HIS A 104 0.675 -3.760 -8.198 1.00 0.00 N ATOM 1622 CA HIS A 104 0.192 -3.839 -9.577 1.00 0.00 C ATOM 1623 C HIS A 104 -1.082 -3.014 -9.791 1.00 0.00 C ATOM 1624 O HIS A 104 -1.189 -2.368 -10.834 1.00 0.00 O ATOM 1625 CB HIS A 104 -0.026 -5.312 -9.955 1.00 0.00 C ATOM 1626 CG HIS A 104 1.141 -6.059 -10.559 1.00 0.00 C ATOM 1627 ND1 HIS A 104 2.062 -5.588 -11.471 1.00 0.00 N ATOM 1628 CD2 HIS A 104 1.393 -7.395 -10.387 1.00 0.00 C ATOM 1629 CE1 HIS A 104 2.855 -6.612 -11.822 1.00 0.00 C ATOM 1630 NE2 HIS A 104 2.506 -7.730 -11.164 1.00 0.00 N ATOM 0 H HIS A 104 -0.056 -3.853 -7.492 1.00 0.00 H new ATOM 0 HA HIS A 104 0.949 -3.408 -10.232 1.00 0.00 H new ATOM 0 HB2 HIS A 104 -0.339 -5.846 -9.058 1.00 0.00 H new ATOM 0 HB3 HIS A 104 -0.856 -5.359 -10.660 1.00 0.00 H new ATOM 0 HD1 HIS A 104 2.129 -4.631 -11.817 1.00 0.00 H new ATOM 0 HD2 HIS A 104 0.830 -8.071 -9.761 1.00 0.00 H new ATOM 0 HE1 HIS A 104 3.663 -6.546 -12.536 1.00 0.00 H new ATOM 1638 N ARG A 105 -2.033 -2.974 -8.850 1.00 0.00 N ATOM 1639 CA ARG A 105 -3.273 -2.213 -9.015 1.00 0.00 C ATOM 1640 C ARG A 105 -3.727 -1.663 -7.665 1.00 0.00 C ATOM 1641 O ARG A 105 -3.450 -2.285 -6.648 1.00 0.00 O ATOM 1642 CB ARG A 105 -4.335 -3.136 -9.629 1.00 0.00 C ATOM 1643 CG ARG A 105 -5.553 -2.383 -10.179 1.00 0.00 C ATOM 1644 CD ARG A 105 -5.274 -1.782 -11.564 1.00 0.00 C ATOM 1645 NE ARG A 105 -6.282 -0.774 -11.922 1.00 0.00 N ATOM 1646 CZ ARG A 105 -6.458 -0.206 -13.118 1.00 0.00 C ATOM 1647 NH1 ARG A 105 -5.669 -0.493 -14.146 1.00 0.00 N ATOM 1648 NH2 ARG A 105 -7.437 0.669 -13.294 1.00 0.00 N ATOM 0 H ARG A 105 -1.964 -3.466 -7.959 1.00 0.00 H new ATOM 0 HA ARG A 105 -3.114 -1.365 -9.681 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -3.881 -3.715 -10.434 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -4.668 -3.847 -8.873 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -6.403 -3.063 -10.242 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -5.832 -1.588 -9.487 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -4.283 -1.328 -11.573 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -5.268 -2.575 -12.312 1.00 0.00 H new ATOM 0 HE ARG A 105 -6.914 -0.477 -11.179 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -4.907 -1.161 -14.033 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -5.825 -0.045 -15.049 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -8.054 0.907 -12.517 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -7.574 1.104 -14.206 1.00 0.00 H new ATOM 1662 N ALA A 106 -4.410 -0.520 -7.628 1.00 0.00 N ATOM 1663 CA ALA A 106 -4.787 0.153 -6.393 1.00 0.00 C ATOM 1664 C ALA A 106 -6.316 0.235 -6.307 1.00 0.00 C ATOM 1665 O ALA A 106 -6.950 0.719 -7.249 1.00 0.00 O ATOM 1666 CB ALA A 106 -4.133 1.538 -6.408 1.00 0.00 C ATOM 0 H ALA A 106 -4.720 -0.031 -8.468 1.00 0.00 H new ATOM 0 HA ALA A 106 -4.445 -0.391 -5.512 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -4.394 2.073 -5.495 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -3.050 1.428 -6.467 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -4.489 2.099 -7.272 1.00 0.00 H new ATOM 1672 N VAL A 107 -6.912 -0.238 -5.207 1.00 0.00 N ATOM 1673 CA VAL A 107 -8.353 -0.127 -4.956 1.00 0.00 C ATOM 1674 C VAL A 107 -8.677 1.323 -4.592 1.00 0.00 C ATOM 1675 O VAL A 107 -8.042 1.848 -3.683 1.00 0.00 O ATOM 1676 CB VAL A 107 -8.788 -1.056 -3.813 1.00 0.00 C ATOM 1677 CG1 VAL A 107 -10.308 -1.012 -3.611 1.00 0.00 C ATOM 1678 CG2 VAL A 107 -8.376 -2.504 -4.085 1.00 0.00 C ATOM 0 H VAL A 107 -6.404 -0.712 -4.460 1.00 0.00 H new ATOM 0 HA VAL A 107 -8.893 -0.423 -5.855 1.00 0.00 H new ATOM 0 HB VAL A 107 -8.288 -0.699 -2.912 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -10.586 -1.680 -2.795 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -10.613 0.006 -3.367 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -10.806 -1.331 -4.527 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -8.699 -3.136 -3.257 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -8.843 -2.848 -5.008 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -7.292 -2.561 -4.184 1.00 0.00 H new ATOM 1688 N PRO A 108 -9.601 2.007 -5.273 1.00 0.00 N ATOM 1689 CA PRO A 108 -10.017 3.355 -4.916 1.00 0.00 C ATOM 1690 C PRO A 108 -11.028 3.357 -3.763 1.00 0.00 C ATOM 1691 O PRO A 108 -12.130 2.811 -3.875 1.00 0.00 O ATOM 1692 CB PRO A 108 -10.598 3.937 -6.199 1.00 0.00 C ATOM 1693 CG PRO A 108 -11.099 2.706 -6.966 1.00 0.00 C ATOM 1694 CD PRO A 108 -10.393 1.499 -6.372 1.00 0.00 C ATOM 0 HA PRO A 108 -9.185 3.954 -4.546 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -11.408 4.635 -5.990 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -9.845 4.483 -6.767 1.00 0.00 H new ATOM 0 HG2 PRO A 108 -12.180 2.606 -6.872 1.00 0.00 H new ATOM 0 HG3 PRO A 108 -10.879 2.798 -8.030 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -11.112 0.757 -6.025 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -9.763 1.010 -7.115 1.00 0.00 H new ATOM 1702 N SER A 109 -10.668 4.017 -2.664 1.00 0.00 N ATOM 1703 CA SER A 109 -11.522 4.292 -1.517 1.00 0.00 C ATOM 1704 C SER A 109 -12.542 5.395 -1.846 1.00 0.00 C ATOM 1705 O SER A 109 -13.662 5.415 -1.322 1.00 0.00 O ATOM 1706 CB SER A 109 -10.594 4.712 -0.363 1.00 0.00 C ATOM 1707 OG SER A 109 -11.256 4.755 0.879 1.00 0.00 O ATOM 0 H SER A 109 -9.727 4.391 -2.546 1.00 0.00 H new ATOM 0 HA SER A 109 -12.101 3.411 -1.240 1.00 0.00 H new ATOM 0 HB2 SER A 109 -9.759 4.014 -0.301 1.00 0.00 H new ATOM 0 HB3 SER A 109 -10.173 5.694 -0.580 1.00 0.00 H new ATOM 0 HG SER A 109 -11.416 3.842 1.196 1.00 0.00 H new ATOM 1713 N GLY A 110 -12.180 6.324 -2.724 1.00 0.00 N ATOM 1714 CA GLY A 110 -12.688 7.682 -2.721 1.00 0.00 C ATOM 1715 C GLY A 110 -11.825 8.556 -1.802 1.00 0.00 C ATOM 1716 O GLY A 110 -10.898 8.067 -1.164 1.00 0.00 O ATOM 0 H GLY A 110 -11.510 6.145 -3.472 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -12.681 8.085 -3.734 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -13.724 7.692 -2.381 1.00 0.00 H new