USER MOD reduce.3.24.130724 H: found=0, std=0, add=834, rem=0, adj=18 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= 1.02 K(o=0.93,f=-1.7) USER MOD Set 1.2: A 104 HIS : no HD1:sc= -0.0903 X(o=0.93,f=0.97) USER MOD Set 2.1: A 91 THR OG1 : rot -59:sc= 0.61 USER MOD Set 2.2: A 93 GLN : amide:sc= 0.643 K(o=1.3,f=-0.95) USER MOD Set 3.1: A 20 HIS : no HE2:sc= -1.15 X(o=-0.88,f=-0.98) USER MOD Set 3.2: A 109 SER OG : rot 123:sc= 0.265 USER MOD Set 4.1: A 19 TYR OH : rot 180:sc= 0.66 USER MOD Set 4.2: A 49 TYR OH : rot -18:sc= 0.837 USER MOD Single : A 10 GLN : amide:sc= -0.0889 X(o=-0.089,f=-0.51) USER MOD Single : A 11 LYS NZ :NH3+ -175:sc= -0.027 (180deg=-0.0688) USER MOD Single : A 14 HIS : no HD1:sc= -1.08 K(o=-1.1,f=-0.16) USER MOD Single : A 16 GLN : amide:sc= 1.11 K(o=1.1,f=-2.1) USER MOD Single : A 34 HIS : no HD1:sc= -0.178 X(o=-0.18,f=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0.104 USER MOD Single : A 43 SER OG : rot 180:sc= 0.102 USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 SER OG : rot 130:sc= -0.204 USER MOD Single : A 61 HIS : no HD1:sc= -0.404 X(o=-0.4,f=-0.47) USER MOD Single : A 65 GLN : amide:sc= -0.14! C(o=-0.14!,f=-4.5!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -0.33 X(o=-0.33,f=-0.42) 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 HE2:sc= 0.906 K(o=0.91,f=-3.7!) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 147:sc= 1.29 (180deg=1.16) USER MOD Single : A 98 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0412) USER MOD Single : A 99 SER OG : rot -43:sc= 0.00679 USER MOD ----------------------------------------------------------------- ATOM 66 N GLU A 8 -0.555 10.313 -8.451 1.00 0.00 N ATOM 67 CA GLU A 8 -0.978 10.894 -7.181 1.00 0.00 C ATOM 68 C GLU A 8 0.159 10.943 -6.153 1.00 0.00 C ATOM 69 O GLU A 8 -0.091 11.083 -4.962 1.00 0.00 O ATOM 70 CB GLU A 8 -2.237 10.162 -6.671 1.00 0.00 C ATOM 71 CG GLU A 8 -3.463 10.297 -7.587 1.00 0.00 C ATOM 72 CD GLU A 8 -3.418 9.527 -8.908 1.00 0.00 C ATOM 73 OE1 GLU A 8 -3.465 8.275 -8.922 1.00 0.00 O ATOM 74 OE2 GLU A 8 -3.371 10.208 -9.959 1.00 0.00 O ATOM 0 HA GLU A 8 -1.246 11.938 -7.343 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -2.004 9.104 -6.550 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -2.492 10.547 -5.684 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -4.341 9.969 -7.031 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -3.605 11.354 -7.813 1.00 0.00 H new ATOM 81 N VAL A 9 1.406 10.825 -6.605 1.00 0.00 N ATOM 82 CA VAL A 9 2.578 10.546 -5.803 1.00 0.00 C ATOM 83 C VAL A 9 2.756 11.659 -4.785 1.00 0.00 C ATOM 84 O VAL A 9 2.864 11.410 -3.592 1.00 0.00 O ATOM 85 CB VAL A 9 3.805 10.429 -6.736 1.00 0.00 C ATOM 86 CG1 VAL A 9 4.980 9.793 -5.993 1.00 0.00 C ATOM 87 CG2 VAL A 9 3.495 9.655 -8.031 1.00 0.00 C ATOM 0 H VAL A 9 1.629 10.928 -7.595 1.00 0.00 H new ATOM 0 HA VAL A 9 2.466 9.605 -5.264 1.00 0.00 H new ATOM 0 HB VAL A 9 4.077 11.441 -7.035 1.00 0.00 H new ATOM 0 HG11 VAL A 9 5.836 9.717 -6.663 1.00 0.00 H new ATOM 0 HG12 VAL A 9 5.245 10.410 -5.134 1.00 0.00 H new ATOM 0 HG13 VAL A 9 4.698 8.797 -5.651 1.00 0.00 H new ATOM 0 HG21 VAL A 9 4.392 9.604 -8.648 1.00 0.00 H new ATOM 0 HG22 VAL A 9 3.168 8.646 -7.782 1.00 0.00 H new ATOM 0 HG23 VAL A 9 2.705 10.167 -8.581 1.00 0.00 H new ATOM 97 N GLN A 10 2.805 12.899 -5.274 1.00 0.00 N ATOM 98 CA GLN A 10 3.211 14.047 -4.481 1.00 0.00 C ATOM 99 C GLN A 10 2.038 14.645 -3.711 1.00 0.00 C ATOM 100 O GLN A 10 2.205 15.624 -2.979 1.00 0.00 O ATOM 101 CB GLN A 10 3.854 15.089 -5.398 1.00 0.00 C ATOM 102 CG GLN A 10 5.014 14.497 -6.216 1.00 0.00 C ATOM 103 CD GLN A 10 6.088 13.835 -5.346 1.00 0.00 C ATOM 104 OE1 GLN A 10 6.351 14.245 -4.216 1.00 0.00 O ATOM 105 NE2 GLN A 10 6.716 12.779 -5.835 1.00 0.00 N ATOM 0 H GLN A 10 2.562 13.130 -6.237 1.00 0.00 H new ATOM 0 HA GLN A 10 3.939 13.719 -3.739 1.00 0.00 H new ATOM 0 HB2 GLN A 10 3.100 15.491 -6.075 1.00 0.00 H new ATOM 0 HB3 GLN A 10 4.221 15.922 -4.799 1.00 0.00 H new ATOM 0 HG2 GLN A 10 4.618 13.761 -6.916 1.00 0.00 H new ATOM 0 HG3 GLN A 10 5.473 15.288 -6.810 1.00 0.00 H new ATOM 0 HE21 GLN A 10 6.495 12.443 -6.772 1.00 0.00 H new ATOM 0 HE22 GLN A 10 7.422 12.301 -5.275 1.00 0.00 H new ATOM 114 N LYS A 11 0.837 14.108 -3.907 1.00 0.00 N ATOM 115 CA LYS A 11 -0.304 14.423 -3.051 1.00 0.00 C ATOM 116 C LYS A 11 -0.067 13.905 -1.631 1.00 0.00 C ATOM 117 O LYS A 11 0.711 12.965 -1.437 1.00 0.00 O ATOM 118 CB LYS A 11 -1.577 13.800 -3.635 1.00 0.00 C ATOM 119 CG LYS A 11 -1.952 14.380 -4.998 1.00 0.00 C ATOM 120 CD LYS A 11 -3.476 14.445 -5.130 1.00 0.00 C ATOM 121 CE LYS A 11 -3.900 15.000 -6.486 1.00 0.00 C ATOM 122 NZ LYS A 11 -3.845 13.999 -7.571 1.00 0.00 N ATOM 0 H LYS A 11 0.628 13.448 -4.656 1.00 0.00 H new ATOM 0 HA LYS A 11 -0.423 15.506 -3.007 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -1.438 12.723 -3.730 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -2.403 13.955 -2.940 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -1.525 15.377 -5.110 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -1.534 13.763 -5.794 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -3.896 13.448 -4.997 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -3.884 15.071 -4.336 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -4.916 15.388 -6.410 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -3.256 15.841 -6.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -4.062 14.458 -8.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -2.892 13.584 -7.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -4.542 13.249 -7.387 1.00 0.00 H new ATOM 136 N PRO A 12 -0.782 14.443 -0.628 1.00 0.00 N ATOM 137 CA PRO A 12 -0.766 13.865 0.703 1.00 0.00 C ATOM 138 C PRO A 12 -1.344 12.456 0.698 1.00 0.00 C ATOM 139 O PRO A 12 -2.072 12.063 -0.219 1.00 0.00 O ATOM 140 CB PRO A 12 -1.606 14.789 1.572 1.00 0.00 C ATOM 141 CG PRO A 12 -2.482 15.578 0.598 1.00 0.00 C ATOM 142 CD PRO A 12 -1.714 15.560 -0.715 1.00 0.00 C ATOM 0 HA PRO A 12 0.253 13.778 1.080 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -2.214 14.221 2.276 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -0.975 15.455 2.161 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -3.464 15.119 0.488 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -2.644 16.598 0.948 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -2.391 15.436 -1.560 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -1.182 16.499 -0.867 1.00 0.00 H new ATOM 150 N LEU A 13 -1.056 11.704 1.759 1.00 0.00 N ATOM 151 CA LEU A 13 -1.619 10.379 1.979 1.00 0.00 C ATOM 152 C LEU A 13 -3.128 10.473 2.213 1.00 0.00 C ATOM 153 O LEU A 13 -3.850 9.588 1.767 1.00 0.00 O ATOM 154 CB LEU A 13 -0.845 9.709 3.131 1.00 0.00 C ATOM 155 CG LEU A 13 -1.120 8.202 3.358 1.00 0.00 C ATOM 156 CD1 LEU A 13 0.065 7.546 4.066 1.00 0.00 C ATOM 157 CD2 LEU A 13 -2.322 7.936 4.257 1.00 0.00 C ATOM 0 H LEU A 13 -0.418 12.004 2.496 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.504 9.748 1.098 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.222 9.838 2.947 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -1.076 10.242 4.054 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.301 7.796 2.363 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.143 6.487 4.219 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.960 7.655 3.454 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.224 8.027 5.031 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.458 6.861 4.374 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -2.153 8.389 5.234 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.216 8.368 3.807 1.00 0.00 H new ATOM 169 N HIS A 14 -3.622 11.535 2.863 1.00 0.00 N ATOM 170 CA HIS A 14 -5.007 11.558 3.353 1.00 0.00 C ATOM 171 C HIS A 14 -6.043 11.788 2.249 1.00 0.00 C ATOM 172 O HIS A 14 -7.216 11.960 2.553 1.00 0.00 O ATOM 173 CB HIS A 14 -5.198 12.592 4.478 1.00 0.00 C ATOM 174 CG HIS A 14 -5.236 14.040 4.045 1.00 0.00 C ATOM 175 ND1 HIS A 14 -5.793 15.082 4.750 1.00 0.00 N ATOM 176 CD2 HIS A 14 -4.772 14.556 2.867 1.00 0.00 C ATOM 177 CE1 HIS A 14 -5.647 16.200 4.016 1.00 0.00 C ATOM 178 NE2 HIS A 14 -4.976 15.933 2.886 1.00 0.00 N ATOM 0 H HIS A 14 -3.089 12.382 3.061 1.00 0.00 H new ATOM 0 HA HIS A 14 -5.183 10.560 3.754 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -6.127 12.365 5.000 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -4.389 12.470 5.199 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -4.325 13.993 2.061 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -6.018 17.175 4.297 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -4.675 16.605 2.181 1.00 0.00 H new ATOM 186 N GLU A 15 -5.633 11.883 0.987 1.00 0.00 N ATOM 187 CA GLU A 15 -6.500 12.112 -0.144 1.00 0.00 C ATOM 188 C GLU A 15 -6.372 10.926 -1.132 1.00 0.00 C ATOM 189 O GLU A 15 -6.934 10.960 -2.227 1.00 0.00 O ATOM 190 CB GLU A 15 -6.130 13.527 -0.647 1.00 0.00 C ATOM 191 CG GLU A 15 -6.604 13.802 -2.066 1.00 0.00 C ATOM 192 CD GLU A 15 -6.551 15.261 -2.524 1.00 0.00 C ATOM 193 OE1 GLU A 15 -6.684 16.178 -1.686 1.00 0.00 O ATOM 194 OE2 GLU A 15 -6.394 15.472 -3.752 1.00 0.00 O ATOM 0 H GLU A 15 -4.651 11.798 0.724 1.00 0.00 H new ATOM 0 HA GLU A 15 -7.570 12.123 0.064 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -6.563 14.269 0.024 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -5.048 13.650 -0.602 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -6.001 13.206 -2.751 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -7.632 13.451 -2.158 1.00 0.00 H new ATOM 201 N GLN A 16 -5.580 9.897 -0.794 1.00 0.00 N ATOM 202 CA GLN A 16 -5.280 8.811 -1.718 1.00 0.00 C ATOM 203 C GLN A 16 -6.496 7.923 -1.953 1.00 0.00 C ATOM 204 O GLN A 16 -7.510 8.007 -1.270 1.00 0.00 O ATOM 205 CB GLN A 16 -4.064 7.999 -1.244 1.00 0.00 C ATOM 206 CG GLN A 16 -2.766 8.818 -1.227 1.00 0.00 C ATOM 207 CD GLN A 16 -2.252 9.256 -2.599 1.00 0.00 C ATOM 208 OE1 GLN A 16 -2.695 8.791 -3.649 1.00 0.00 O ATOM 209 NE2 GLN A 16 -1.296 10.171 -2.610 1.00 0.00 N ATOM 0 H GLN A 16 -5.137 9.801 0.120 1.00 0.00 H new ATOM 0 HA GLN A 16 -5.021 9.257 -2.678 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -4.258 7.615 -0.242 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -3.934 7.136 -1.896 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -2.924 9.707 -0.616 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -1.990 8.229 -0.738 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -0.939 10.547 -1.731 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -0.916 10.501 -3.497 1.00 0.00 H new ATOM 218 N LEU A 17 -6.374 7.079 -2.973 1.00 0.00 N ATOM 219 CA LEU A 17 -7.426 6.210 -3.470 1.00 0.00 C ATOM 220 C LEU A 17 -7.348 4.879 -2.749 1.00 0.00 C ATOM 221 O LEU A 17 -8.324 4.433 -2.160 1.00 0.00 O ATOM 222 CB LEU A 17 -7.360 6.053 -5.008 1.00 0.00 C ATOM 223 CG LEU A 17 -5.966 5.885 -5.644 1.00 0.00 C ATOM 224 CD1 LEU A 17 -6.047 4.985 -6.880 1.00 0.00 C ATOM 225 CD2 LEU A 17 -5.336 7.227 -6.048 1.00 0.00 C ATOM 0 H LEU A 17 -5.503 6.981 -3.494 1.00 0.00 H new ATOM 0 HA LEU A 17 -8.396 6.662 -3.261 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -7.963 5.188 -5.285 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -7.832 6.927 -5.457 1.00 0.00 H new ATOM 0 HG LEU A 17 -5.333 5.429 -4.883 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -5.054 4.877 -7.317 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -6.425 4.004 -6.592 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -6.719 5.432 -7.612 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -4.356 7.050 -6.490 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -5.977 7.726 -6.775 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -5.227 7.858 -5.166 1.00 0.00 H new ATOM 237 N TRP A 18 -6.156 4.288 -2.753 1.00 0.00 N ATOM 238 CA TRP A 18 -5.834 3.066 -2.049 1.00 0.00 C ATOM 239 C TRP A 18 -5.801 3.265 -0.536 1.00 0.00 C ATOM 240 O TRP A 18 -5.691 2.279 0.194 1.00 0.00 O ATOM 241 CB TRP A 18 -4.510 2.541 -2.616 1.00 0.00 C ATOM 242 CG TRP A 18 -3.412 3.552 -2.791 1.00 0.00 C ATOM 243 CD1 TRP A 18 -2.961 4.036 -3.974 1.00 0.00 C ATOM 244 CD2 TRP A 18 -2.611 4.205 -1.760 1.00 0.00 C ATOM 245 NE1 TRP A 18 -1.952 4.952 -3.740 1.00 0.00 N ATOM 246 CE2 TRP A 18 -1.675 5.062 -2.398 1.00 0.00 C ATOM 247 CE3 TRP A 18 -2.574 4.172 -0.352 1.00 0.00 C ATOM 248 CZ2 TRP A 18 -0.740 5.817 -1.683 1.00 0.00 C ATOM 249 CZ3 TRP A 18 -1.673 4.963 0.385 1.00 0.00 C ATOM 250 CH2 TRP A 18 -0.736 5.772 -0.279 1.00 0.00 C ATOM 0 H TRP A 18 -5.362 4.668 -3.269 1.00 0.00 H new ATOM 0 HA TRP A 18 -6.614 2.321 -2.208 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -4.146 1.751 -1.959 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -4.711 2.083 -3.585 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -3.332 3.751 -4.947 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -1.474 5.479 -4.471 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -3.256 3.522 0.176 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -0.024 6.432 -2.208 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -1.702 4.948 1.465 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -0.020 6.353 0.284 1.00 0.00 H new ATOM 261 N TYR A 19 -5.845 4.503 -0.029 1.00 0.00 N ATOM 262 CA TYR A 19 -5.920 4.727 1.412 1.00 0.00 C ATOM 263 C TYR A 19 -7.369 4.625 1.887 1.00 0.00 C ATOM 264 O TYR A 19 -8.115 5.602 1.847 1.00 0.00 O ATOM 265 CB TYR A 19 -5.290 6.052 1.826 1.00 0.00 C ATOM 266 CG TYR A 19 -5.324 6.284 3.329 1.00 0.00 C ATOM 267 CD1 TYR A 19 -5.098 5.235 4.250 1.00 0.00 C ATOM 268 CD2 TYR A 19 -5.603 7.570 3.811 1.00 0.00 C ATOM 269 CE1 TYR A 19 -5.141 5.483 5.632 1.00 0.00 C ATOM 270 CE2 TYR A 19 -5.595 7.837 5.188 1.00 0.00 C ATOM 271 CZ TYR A 19 -5.355 6.798 6.108 1.00 0.00 C ATOM 272 OH TYR A 19 -5.265 7.091 7.435 1.00 0.00 O ATOM 0 H TYR A 19 -5.830 5.354 -0.591 1.00 0.00 H new ATOM 0 HA TYR A 19 -5.338 3.945 1.899 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -4.256 6.079 1.483 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -5.812 6.868 1.326 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -4.891 4.238 3.889 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -5.827 8.364 3.114 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -5.011 4.670 6.331 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -5.773 8.841 5.543 1.00 0.00 H new ATOM 0 HH TYR A 19 -5.443 8.045 7.572 1.00 0.00 H new ATOM 282 N HIS A 20 -7.765 3.434 2.335 1.00 0.00 N ATOM 283 CA HIS A 20 -9.113 3.208 2.830 1.00 0.00 C ATOM 284 C HIS A 20 -9.299 3.833 4.220 1.00 0.00 C ATOM 285 O HIS A 20 -10.227 4.622 4.397 1.00 0.00 O ATOM 286 CB HIS A 20 -9.443 1.715 2.796 1.00 0.00 C ATOM 287 CG HIS A 20 -9.827 1.223 1.421 1.00 0.00 C ATOM 288 ND1 HIS A 20 -11.068 0.749 1.068 1.00 0.00 N ATOM 289 CD2 HIS A 20 -9.059 1.237 0.288 1.00 0.00 C ATOM 290 CE1 HIS A 20 -11.051 0.503 -0.253 1.00 0.00 C ATOM 291 NE2 HIS A 20 -9.832 0.742 -0.762 1.00 0.00 N ATOM 0 H HIS A 20 -7.164 2.610 2.363 1.00 0.00 H new ATOM 0 HA HIS A 20 -9.826 3.708 2.175 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -8.580 1.150 3.149 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -10.261 1.514 3.488 1.00 0.00 H new ATOM 0 HD1 HIS A 20 -11.860 0.609 1.696 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -8.035 1.572 0.219 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -11.900 0.161 -0.826 1.00 0.00 H new ATOM 299 N GLY A 21 -8.423 3.541 5.193 1.00 0.00 N ATOM 300 CA GLY A 21 -8.460 4.062 6.546 1.00 0.00 C ATOM 301 C GLY A 21 -8.219 2.924 7.524 1.00 0.00 C ATOM 302 O GLY A 21 -7.517 1.959 7.227 1.00 0.00 O ATOM 0 H GLY A 21 -7.639 2.906 5.040 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -7.701 4.834 6.673 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -9.425 4.529 6.743 1.00 0.00 H new ATOM 306 N ALA A 22 -8.775 3.039 8.718 1.00 0.00 N ATOM 307 CA ALA A 22 -8.861 1.944 9.674 1.00 0.00 C ATOM 308 C ALA A 22 -9.847 0.908 9.123 1.00 0.00 C ATOM 309 O ALA A 22 -11.054 1.149 9.157 1.00 0.00 O ATOM 310 CB ALA A 22 -9.293 2.475 11.048 1.00 0.00 C ATOM 0 H ALA A 22 -9.186 3.909 9.057 1.00 0.00 H new ATOM 0 HA ALA A 22 -7.889 1.470 9.810 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -9.354 1.648 11.755 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -8.563 3.202 11.403 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -10.269 2.952 10.963 1.00 0.00 H new ATOM 316 N ILE A 23 -9.359 -0.217 8.587 1.00 0.00 N ATOM 317 CA ILE A 23 -10.179 -1.322 8.083 1.00 0.00 C ATOM 318 C ILE A 23 -9.599 -2.634 8.643 1.00 0.00 C ATOM 319 O ILE A 23 -8.376 -2.739 8.792 1.00 0.00 O ATOM 320 CB ILE A 23 -10.356 -1.297 6.525 1.00 0.00 C ATOM 321 CG1 ILE A 23 -10.120 -2.672 5.847 1.00 0.00 C ATOM 322 CG2 ILE A 23 -9.542 -0.212 5.794 1.00 0.00 C ATOM 323 CD1 ILE A 23 -10.500 -2.761 4.374 1.00 0.00 C ATOM 0 H ILE A 23 -8.358 -0.387 8.490 1.00 0.00 H new ATOM 0 HA ILE A 23 -11.204 -1.220 8.439 1.00 0.00 H new ATOM 0 HB ILE A 23 -11.408 -1.034 6.416 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -9.065 -2.928 5.946 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -10.684 -3.427 6.394 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -9.731 -0.275 4.722 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -9.839 0.772 6.157 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -8.480 -0.364 5.985 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -10.293 -3.765 4.005 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -11.562 -2.544 4.258 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -9.918 -2.037 3.804 1.00 0.00 H new ATOM 335 N PRO A 24 -10.431 -3.653 8.919 1.00 0.00 N ATOM 336 CA PRO A 24 -9.978 -4.962 9.385 1.00 0.00 C ATOM 337 C PRO A 24 -9.335 -5.797 8.272 1.00 0.00 C ATOM 338 O PRO A 24 -9.593 -5.597 7.084 1.00 0.00 O ATOM 339 CB PRO A 24 -11.251 -5.661 9.862 1.00 0.00 C ATOM 340 CG PRO A 24 -12.313 -5.081 8.943 1.00 0.00 C ATOM 341 CD PRO A 24 -11.883 -3.633 8.787 1.00 0.00 C ATOM 0 HA PRO A 24 -9.216 -4.850 10.157 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -11.179 -6.744 9.765 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -11.462 -5.448 10.910 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -12.342 -5.598 7.984 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -13.309 -5.161 9.378 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -12.186 -3.234 7.819 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -12.340 -3.002 9.549 1.00 0.00 H new ATOM 349 N ARG A 25 -8.575 -6.838 8.636 1.00 0.00 N ATOM 350 CA ARG A 25 -8.022 -7.773 7.648 1.00 0.00 C ATOM 351 C ARG A 25 -9.119 -8.525 6.898 1.00 0.00 C ATOM 352 O ARG A 25 -8.888 -8.954 5.768 1.00 0.00 O ATOM 353 CB ARG A 25 -7.035 -8.755 8.309 1.00 0.00 C ATOM 354 CG ARG A 25 -7.725 -9.869 9.111 1.00 0.00 C ATOM 355 CD ARG A 25 -6.713 -10.851 9.685 1.00 0.00 C ATOM 356 NE ARG A 25 -7.411 -12.041 10.173 1.00 0.00 N ATOM 357 CZ ARG A 25 -6.869 -13.107 10.752 1.00 0.00 C ATOM 358 NH1 ARG A 25 -5.566 -13.159 10.990 1.00 0.00 N ATOM 359 NH2 ARG A 25 -7.660 -14.115 11.090 1.00 0.00 N ATOM 0 H ARG A 25 -8.330 -7.053 9.602 1.00 0.00 H new ATOM 0 HA ARG A 25 -7.476 -7.181 6.914 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -6.412 -9.206 7.537 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -6.370 -8.200 8.971 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -8.307 -9.429 9.921 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -8.426 -10.401 8.468 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -5.987 -11.130 8.921 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -6.157 -10.383 10.498 1.00 0.00 H new ATOM 0 HE ARG A 25 -8.424 -12.053 10.056 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -4.968 -12.375 10.728 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -5.161 -13.983 11.435 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -8.662 -14.062 10.904 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -7.267 -14.944 11.536 1.00 0.00 H new ATOM 373 N ALA A 26 -10.275 -8.729 7.535 1.00 0.00 N ATOM 374 CA ALA A 26 -11.360 -9.515 6.983 1.00 0.00 C ATOM 375 C ALA A 26 -11.979 -8.821 5.771 1.00 0.00 C ATOM 376 O ALA A 26 -12.437 -9.498 4.851 1.00 0.00 O ATOM 377 CB ALA A 26 -12.396 -9.745 8.084 1.00 0.00 C ATOM 0 H ALA A 26 -10.477 -8.345 8.458 1.00 0.00 H new ATOM 0 HA ALA A 26 -10.981 -10.476 6.634 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -13.222 -10.336 7.688 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -11.933 -10.279 8.914 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -12.772 -8.784 8.436 1.00 0.00 H new ATOM 383 N GLU A 27 -11.999 -7.490 5.746 1.00 0.00 N ATOM 384 CA GLU A 27 -12.639 -6.747 4.666 1.00 0.00 C ATOM 385 C GLU A 27 -11.753 -6.720 3.415 1.00 0.00 C ATOM 386 O GLU A 27 -12.266 -6.691 2.302 1.00 0.00 O ATOM 387 CB GLU A 27 -13.016 -5.352 5.165 1.00 0.00 C ATOM 388 CG GLU A 27 -14.251 -5.421 6.076 1.00 0.00 C ATOM 389 CD GLU A 27 -15.529 -6.090 5.560 1.00 0.00 C ATOM 390 OE1 GLU A 27 -15.583 -7.338 5.679 1.00 0.00 O ATOM 391 OE2 GLU A 27 -16.529 -5.404 5.254 1.00 0.00 O ATOM 0 H GLU A 27 -11.577 -6.903 6.465 1.00 0.00 H new ATOM 0 HA GLU A 27 -13.559 -7.250 4.366 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -12.179 -4.916 5.710 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -13.219 -4.699 4.317 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -13.956 -5.939 6.988 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -14.507 -4.400 6.358 1.00 0.00 H new ATOM 398 N VAL A 28 -10.429 -6.816 3.587 1.00 0.00 N ATOM 399 CA VAL A 28 -9.426 -6.712 2.527 1.00 0.00 C ATOM 400 C VAL A 28 -9.826 -7.519 1.293 1.00 0.00 C ATOM 401 O VAL A 28 -9.921 -6.954 0.210 1.00 0.00 O ATOM 402 CB VAL A 28 -8.043 -7.141 3.061 1.00 0.00 C ATOM 403 CG1 VAL A 28 -6.981 -7.198 1.955 1.00 0.00 C ATOM 404 CG2 VAL A 28 -7.542 -6.200 4.169 1.00 0.00 C ATOM 0 H VAL A 28 -10.014 -6.974 4.505 1.00 0.00 H new ATOM 0 HA VAL A 28 -9.365 -5.669 2.215 1.00 0.00 H new ATOM 0 HB VAL A 28 -8.186 -8.142 3.467 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -6.026 -7.505 2.383 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -7.286 -7.917 1.195 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -6.875 -6.213 1.501 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -6.566 -6.536 4.518 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -7.457 -5.187 3.775 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -8.247 -6.209 5.000 1.00 0.00 H new ATOM 414 N ALA A 29 -10.012 -8.836 1.415 1.00 0.00 N ATOM 415 CA ALA A 29 -10.159 -9.686 0.228 1.00 0.00 C ATOM 416 C ALA A 29 -11.446 -9.434 -0.567 1.00 0.00 C ATOM 417 O ALA A 29 -11.601 -9.973 -1.659 1.00 0.00 O ATOM 418 CB ALA A 29 -10.137 -11.158 0.607 1.00 0.00 C ATOM 0 H ALA A 29 -10.064 -9.331 2.305 1.00 0.00 H new ATOM 0 HA ALA A 29 -9.311 -9.423 -0.404 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -10.248 -11.766 -0.291 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -9.190 -11.395 1.091 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -10.958 -11.370 1.292 1.00 0.00 H new ATOM 424 N GLU A 30 -12.393 -8.687 -0.014 1.00 0.00 N ATOM 425 CA GLU A 30 -13.558 -8.196 -0.733 1.00 0.00 C ATOM 426 C GLU A 30 -13.188 -6.979 -1.599 1.00 0.00 C ATOM 427 O GLU A 30 -13.793 -6.768 -2.651 1.00 0.00 O ATOM 428 CB GLU A 30 -14.699 -7.926 0.271 1.00 0.00 C ATOM 429 CG GLU A 30 -15.533 -6.678 -0.054 1.00 0.00 C ATOM 430 CD GLU A 30 -16.865 -6.615 0.676 1.00 0.00 C ATOM 431 OE1 GLU A 30 -17.652 -7.570 0.481 1.00 0.00 O ATOM 432 OE2 GLU A 30 -17.142 -5.562 1.294 1.00 0.00 O ATOM 0 H GLU A 30 -12.371 -8.401 0.965 1.00 0.00 H new ATOM 0 HA GLU A 30 -13.921 -8.950 -1.432 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -15.358 -8.794 0.299 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -14.273 -7.817 1.269 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -14.952 -5.790 0.196 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -15.717 -6.647 -1.128 1.00 0.00 H new ATOM 439 N LEU A 31 -12.242 -6.152 -1.155 1.00 0.00 N ATOM 440 CA LEU A 31 -11.780 -4.974 -1.878 1.00 0.00 C ATOM 441 C LEU A 31 -10.877 -5.392 -3.029 1.00 0.00 C ATOM 442 O LEU A 31 -10.946 -4.826 -4.121 1.00 0.00 O ATOM 443 CB LEU A 31 -10.985 -4.058 -0.935 1.00 0.00 C ATOM 444 CG LEU A 31 -11.764 -3.525 0.286 1.00 0.00 C ATOM 445 CD1 LEU A 31 -10.819 -2.673 1.128 1.00 0.00 C ATOM 446 CD2 LEU A 31 -12.966 -2.675 -0.137 1.00 0.00 C ATOM 0 H LEU A 31 -11.767 -6.288 -0.263 1.00 0.00 H new ATOM 0 HA LEU A 31 -12.649 -4.441 -2.265 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -10.112 -4.604 -0.577 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -10.616 -3.207 -1.508 1.00 0.00 H new ATOM 0 HG LEU A 31 -12.139 -4.375 0.856 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -11.353 -2.287 1.996 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -9.978 -3.282 1.460 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -10.450 -1.840 0.530 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -13.489 -2.318 0.750 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -12.621 -1.823 -0.723 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -13.644 -3.279 -0.740 1.00 0.00 H new ATOM 458 N LEU A 32 -9.980 -6.341 -2.756 1.00 0.00 N ATOM 459 CA LEU A 32 -8.977 -6.789 -3.705 1.00 0.00 C ATOM 460 C LEU A 32 -9.561 -7.943 -4.505 1.00 0.00 C ATOM 461 O LEU A 32 -10.070 -8.885 -3.899 1.00 0.00 O ATOM 462 CB LEU A 32 -7.706 -7.278 -2.984 1.00 0.00 C ATOM 463 CG LEU A 32 -7.224 -6.473 -1.764 1.00 0.00 C ATOM 464 CD1 LEU A 32 -5.897 -7.023 -1.255 1.00 0.00 C ATOM 465 CD2 LEU A 32 -7.107 -4.969 -2.020 1.00 0.00 C ATOM 0 H LEU A 32 -9.935 -6.821 -1.857 1.00 0.00 H new ATOM 0 HA LEU A 32 -8.705 -5.955 -4.352 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -7.877 -8.305 -2.662 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -6.895 -7.302 -3.712 1.00 0.00 H new ATOM 0 HG LEU A 32 -7.995 -6.593 -1.003 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.570 -6.443 -0.392 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.023 -8.066 -0.964 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.148 -6.954 -2.044 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -6.762 -4.471 -1.114 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -6.394 -4.791 -2.825 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -8.081 -4.571 -2.304 1.00 0.00 H new ATOM 477 N VAL A 33 -9.410 -7.953 -5.827 1.00 0.00 N ATOM 478 CA VAL A 33 -9.934 -9.034 -6.661 1.00 0.00 C ATOM 479 C VAL A 33 -8.822 -9.660 -7.492 1.00 0.00 C ATOM 480 O VAL A 33 -8.861 -10.858 -7.772 1.00 0.00 O ATOM 481 CB VAL A 33 -11.072 -8.506 -7.558 1.00 0.00 C ATOM 482 CG1 VAL A 33 -11.872 -9.662 -8.165 1.00 0.00 C ATOM 483 CG2 VAL A 33 -12.064 -7.595 -6.813 1.00 0.00 C ATOM 0 H VAL A 33 -8.926 -7.221 -6.347 1.00 0.00 H new ATOM 0 HA VAL A 33 -10.341 -9.812 -6.015 1.00 0.00 H new ATOM 0 HB VAL A 33 -10.576 -7.921 -8.332 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -12.668 -9.263 -8.793 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -11.211 -10.284 -8.768 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -12.307 -10.263 -7.366 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -12.838 -7.259 -7.503 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -12.523 -8.149 -5.994 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -11.534 -6.730 -6.413 1.00 0.00 H new ATOM 493 N HIS A 34 -7.804 -8.892 -7.871 1.00 0.00 N ATOM 494 CA HIS A 34 -6.812 -9.308 -8.843 1.00 0.00 C ATOM 495 C HIS A 34 -5.448 -9.349 -8.179 1.00 0.00 C ATOM 496 O HIS A 34 -5.181 -8.610 -7.232 1.00 0.00 O ATOM 497 CB HIS A 34 -6.886 -8.340 -10.027 1.00 0.00 C ATOM 498 CG HIS A 34 -8.293 -8.220 -10.570 1.00 0.00 C ATOM 499 ND1 HIS A 34 -8.964 -7.054 -10.859 1.00 0.00 N ATOM 500 CD2 HIS A 34 -9.185 -9.245 -10.730 1.00 0.00 C ATOM 501 CE1 HIS A 34 -10.208 -7.372 -11.247 1.00 0.00 C ATOM 502 NE2 HIS A 34 -10.376 -8.705 -11.216 1.00 0.00 N ATOM 0 H HIS A 34 -7.648 -7.953 -7.504 1.00 0.00 H new ATOM 0 HA HIS A 34 -6.999 -10.313 -9.220 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -6.532 -7.357 -9.715 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -6.219 -8.683 -10.818 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -9.000 -10.288 -10.518 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -10.965 -6.660 -11.542 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -11.211 -9.221 -11.494 1.00 0.00 H new ATOM 510 N SER A 35 -4.575 -10.236 -8.648 1.00 0.00 N ATOM 511 CA SER A 35 -3.223 -10.350 -8.138 1.00 0.00 C ATOM 512 C SER A 35 -2.481 -9.051 -8.446 1.00 0.00 C ATOM 513 O SER A 35 -2.119 -8.795 -9.598 1.00 0.00 O ATOM 514 CB SER A 35 -2.539 -11.588 -8.727 1.00 0.00 C ATOM 515 OG SER A 35 -3.105 -11.995 -9.965 1.00 0.00 O ATOM 0 H SER A 35 -4.792 -10.896 -9.395 1.00 0.00 H new ATOM 0 HA SER A 35 -3.222 -10.490 -7.057 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.479 -11.378 -8.869 1.00 0.00 H new ATOM 0 HB3 SER A 35 -2.608 -12.409 -8.014 1.00 0.00 H new ATOM 0 HG SER A 35 -2.631 -12.786 -10.297 1.00 0.00 H new ATOM 521 N GLY A 36 -2.314 -8.203 -7.435 1.00 0.00 N ATOM 522 CA GLY A 36 -1.775 -6.870 -7.598 1.00 0.00 C ATOM 523 C GLY A 36 -2.607 -5.778 -6.971 1.00 0.00 C ATOM 524 O GLY A 36 -2.063 -4.687 -6.805 1.00 0.00 O ATOM 0 H GLY A 36 -2.554 -8.432 -6.470 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -0.775 -6.841 -7.166 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -1.669 -6.662 -8.663 1.00 0.00 H new ATOM 528 N ASP A 37 -3.887 -6.037 -6.690 1.00 0.00 N ATOM 529 CA ASP A 37 -4.781 -5.102 -6.015 1.00 0.00 C ATOM 530 C ASP A 37 -4.203 -4.841 -4.638 1.00 0.00 C ATOM 531 O ASP A 37 -3.933 -5.804 -3.916 1.00 0.00 O ATOM 532 CB ASP A 37 -6.201 -5.669 -5.865 1.00 0.00 C ATOM 533 CG ASP A 37 -7.153 -5.236 -6.970 1.00 0.00 C ATOM 534 OD1 ASP A 37 -7.153 -4.034 -7.317 1.00 0.00 O ATOM 535 OD2 ASP A 37 -7.907 -6.113 -7.441 1.00 0.00 O ATOM 0 H ASP A 37 -4.336 -6.920 -6.931 1.00 0.00 H new ATOM 0 HA ASP A 37 -4.857 -4.190 -6.607 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -6.148 -6.758 -5.849 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -6.608 -5.356 -4.904 1.00 0.00 H new ATOM 540 N PHE A 38 -4.028 -3.574 -4.260 1.00 0.00 N ATOM 541 CA PHE A 38 -3.576 -3.175 -2.936 1.00 0.00 C ATOM 542 C PHE A 38 -4.407 -2.026 -2.387 1.00 0.00 C ATOM 543 O PHE A 38 -4.927 -1.189 -3.130 1.00 0.00 O ATOM 544 CB PHE A 38 -2.077 -2.816 -2.941 1.00 0.00 C ATOM 545 CG PHE A 38 -1.702 -1.568 -3.715 1.00 0.00 C ATOM 546 CD1 PHE A 38 -1.676 -0.300 -3.099 1.00 0.00 C ATOM 547 CD2 PHE A 38 -1.366 -1.687 -5.072 1.00 0.00 C ATOM 548 CE1 PHE A 38 -1.359 0.842 -3.859 1.00 0.00 C ATOM 549 CE2 PHE A 38 -1.090 -0.547 -5.840 1.00 0.00 C ATOM 550 CZ PHE A 38 -1.094 0.721 -5.235 1.00 0.00 C ATOM 0 H PHE A 38 -4.201 -2.784 -4.882 1.00 0.00 H new ATOM 0 HA PHE A 38 -3.714 -4.030 -2.275 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -1.748 -2.694 -1.909 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -1.522 -3.658 -3.355 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -1.899 -0.205 -2.047 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -1.320 -2.665 -5.529 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -1.319 1.812 -3.385 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -0.875 -0.643 -6.894 1.00 0.00 H new ATOM 0 HZ PHE A 38 -0.894 1.602 -5.826 1.00 0.00 H new ATOM 560 N LEU A 39 -4.448 -1.961 -1.056 1.00 0.00 N ATOM 561 CA LEU A 39 -4.931 -0.853 -0.262 1.00 0.00 C ATOM 562 C LEU A 39 -3.943 -0.642 0.896 1.00 0.00 C ATOM 563 O LEU A 39 -3.126 -1.524 1.195 1.00 0.00 O ATOM 564 CB LEU A 39 -6.363 -1.166 0.202 1.00 0.00 C ATOM 565 CG LEU A 39 -6.449 -2.220 1.329 1.00 0.00 C ATOM 566 CD1 LEU A 39 -6.959 -1.591 2.614 1.00 0.00 C ATOM 567 CD2 LEU A 39 -7.323 -3.419 0.978 1.00 0.00 C ATOM 0 H LEU A 39 -4.122 -2.734 -0.476 1.00 0.00 H new ATOM 0 HA LEU A 39 -4.982 0.077 -0.828 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -6.831 -0.244 0.546 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -6.941 -1.517 -0.653 1.00 0.00 H new ATOM 0 HG LEU A 39 -5.432 -2.589 1.464 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -7.012 -2.350 3.395 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -6.280 -0.797 2.925 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -7.952 -1.174 2.446 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -7.337 -4.117 1.815 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -8.338 -3.081 0.771 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -6.920 -3.918 0.097 1.00 0.00 H new ATOM 579 N VAL A 40 -4.038 0.494 1.576 1.00 0.00 N ATOM 580 CA VAL A 40 -3.359 0.791 2.829 1.00 0.00 C ATOM 581 C VAL A 40 -4.462 0.930 3.866 1.00 0.00 C ATOM 582 O VAL A 40 -5.440 1.652 3.655 1.00 0.00 O ATOM 583 CB VAL A 40 -2.469 2.044 2.706 1.00 0.00 C ATOM 584 CG1 VAL A 40 -1.855 2.456 4.052 1.00 0.00 C ATOM 585 CG2 VAL A 40 -1.321 1.779 1.719 1.00 0.00 C ATOM 0 H VAL A 40 -4.618 1.269 1.253 1.00 0.00 H new ATOM 0 HA VAL A 40 -2.666 0.002 3.120 1.00 0.00 H new ATOM 0 HB VAL A 40 -3.110 2.851 2.352 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.237 3.343 3.914 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -2.651 2.676 4.763 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.240 1.642 4.436 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.698 2.669 1.638 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -0.718 0.945 2.078 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -1.732 1.534 0.740 1.00 0.00 H new ATOM 595 N ARG A 41 -4.326 0.180 4.956 1.00 0.00 N ATOM 596 CA ARG A 41 -5.222 0.197 6.102 1.00 0.00 C ATOM 597 C ARG A 41 -4.418 0.549 7.342 1.00 0.00 C ATOM 598 O ARG A 41 -3.194 0.425 7.317 1.00 0.00 O ATOM 599 CB ARG A 41 -5.916 -1.164 6.285 1.00 0.00 C ATOM 600 CG ARG A 41 -4.915 -2.273 6.627 1.00 0.00 C ATOM 601 CD ARG A 41 -5.533 -3.667 6.614 1.00 0.00 C ATOM 602 NE ARG A 41 -6.075 -4.007 7.931 1.00 0.00 N ATOM 603 CZ ARG A 41 -5.763 -5.055 8.692 1.00 0.00 C ATOM 604 NH1 ARG A 41 -4.933 -6.000 8.256 1.00 0.00 N ATOM 605 NH2 ARG A 41 -6.297 -5.155 9.896 1.00 0.00 N ATOM 0 H ARG A 41 -3.557 -0.481 5.067 1.00 0.00 H new ATOM 0 HA ARG A 41 -6.000 0.942 5.937 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -6.660 -1.089 7.078 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -6.450 -1.425 5.371 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -4.091 -2.242 5.914 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -4.492 -2.080 7.613 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -6.325 -3.712 5.867 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -4.781 -4.401 6.325 1.00 0.00 H new ATOM 0 HE ARG A 41 -6.773 -3.367 8.310 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -4.524 -5.929 7.324 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -4.706 -6.795 8.854 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -6.938 -4.436 10.231 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -6.068 -5.951 10.491 1.00 0.00 H new ATOM 619 N GLU A 42 -5.077 0.871 8.445 1.00 0.00 N ATOM 620 CA GLU A 42 -4.437 0.999 9.748 1.00 0.00 C ATOM 621 C GLU A 42 -4.629 -0.290 10.567 1.00 0.00 C ATOM 622 O GLU A 42 -5.460 -1.142 10.233 1.00 0.00 O ATOM 623 CB GLU A 42 -4.978 2.255 10.434 1.00 0.00 C ATOM 624 CG GLU A 42 -3.986 2.828 11.462 1.00 0.00 C ATOM 625 CD GLU A 42 -4.624 3.884 12.364 1.00 0.00 C ATOM 626 OE1 GLU A 42 -5.835 3.796 12.669 1.00 0.00 O ATOM 627 OE2 GLU A 42 -3.907 4.815 12.791 1.00 0.00 O ATOM 0 H GLU A 42 -6.081 1.053 8.462 1.00 0.00 H new ATOM 0 HA GLU A 42 -3.359 1.122 9.646 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -5.197 3.012 9.681 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -5.919 2.019 10.932 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.596 2.017 12.077 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.137 3.267 10.938 1.00 0.00 H new ATOM 634 N SER A 43 -3.843 -0.440 11.630 1.00 0.00 N ATOM 635 CA SER A 43 -3.902 -1.485 12.640 1.00 0.00 C ATOM 636 C SER A 43 -5.060 -1.227 13.623 1.00 0.00 C ATOM 637 O SER A 43 -5.792 -0.240 13.518 1.00 0.00 O ATOM 638 CB SER A 43 -2.530 -1.546 13.331 1.00 0.00 C ATOM 639 OG SER A 43 -2.423 -2.656 14.208 1.00 0.00 O ATOM 0 H SER A 43 -3.089 0.221 11.819 1.00 0.00 H new ATOM 0 HA SER A 43 -4.110 -2.455 12.189 1.00 0.00 H new ATOM 0 HB2 SER A 43 -1.746 -1.605 12.576 1.00 0.00 H new ATOM 0 HB3 SER A 43 -2.365 -0.625 13.891 1.00 0.00 H new ATOM 0 HG SER A 43 -1.536 -2.659 14.625 1.00 0.00 H new ATOM 645 N GLN A 44 -5.248 -2.165 14.557 1.00 0.00 N ATOM 646 CA GLN A 44 -6.427 -2.310 15.407 1.00 0.00 C ATOM 647 C GLN A 44 -6.660 -1.072 16.272 1.00 0.00 C ATOM 648 O GLN A 44 -7.690 -0.417 16.158 1.00 0.00 O ATOM 649 CB GLN A 44 -6.284 -3.563 16.286 1.00 0.00 C ATOM 650 CG GLN A 44 -6.136 -4.846 15.461 1.00 0.00 C ATOM 651 CD GLN A 44 -6.277 -6.086 16.337 1.00 0.00 C ATOM 652 OE1 GLN A 44 -5.664 -6.196 17.396 1.00 0.00 O ATOM 653 NE2 GLN A 44 -7.078 -7.047 15.923 1.00 0.00 N ATOM 0 H GLN A 44 -4.544 -2.878 14.748 1.00 0.00 H new ATOM 0 HA GLN A 44 -7.297 -2.420 14.760 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -5.416 -3.450 16.935 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -7.157 -3.650 16.933 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -6.891 -4.865 14.675 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -5.164 -4.854 14.969 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -7.583 -6.946 15.042 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -7.193 -7.892 16.483 1.00 0.00 H new ATOM 662 N GLY A 45 -5.691 -0.773 17.137 1.00 0.00 N ATOM 663 CA GLY A 45 -5.655 0.389 18.018 1.00 0.00 C ATOM 664 C GLY A 45 -4.253 0.991 18.076 1.00 0.00 C ATOM 665 O GLY A 45 -3.923 1.710 19.017 1.00 0.00 O ATOM 0 H GLY A 45 -4.869 -1.367 17.246 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -6.362 1.139 17.664 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -5.972 0.100 19.020 1.00 0.00 H new ATOM 669 N LYS A 46 -3.383 0.613 17.134 1.00 0.00 N ATOM 670 CA LYS A 46 -2.052 1.152 16.942 1.00 0.00 C ATOM 671 C LYS A 46 -2.119 2.097 15.755 1.00 0.00 C ATOM 672 O LYS A 46 -2.754 1.763 14.751 1.00 0.00 O ATOM 673 CB LYS A 46 -1.083 0.002 16.632 1.00 0.00 C ATOM 674 CG LYS A 46 -0.520 -0.670 17.885 1.00 0.00 C ATOM 675 CD LYS A 46 -1.504 -1.432 18.788 1.00 0.00 C ATOM 676 CE LYS A 46 -2.203 -2.608 18.092 1.00 0.00 C ATOM 677 NZ LYS A 46 -1.303 -3.758 17.869 1.00 0.00 N ATOM 0 H LYS A 46 -3.609 -0.114 16.456 1.00 0.00 H new ATOM 0 HA LYS A 46 -1.705 1.674 17.833 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -1.598 -0.745 16.028 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -0.258 0.384 16.031 1.00 0.00 H new ATOM 0 HG2 LYS A 46 0.257 -1.367 17.572 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -0.035 0.097 18.489 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -0.967 -1.806 19.660 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -2.260 -0.737 19.153 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -3.052 -2.929 18.695 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -2.601 -2.273 17.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -1.827 -4.522 17.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -0.505 -3.464 17.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -0.942 -4.099 18.783 1.00 0.00 H new ATOM 691 N GLN A 47 -1.419 3.221 15.855 1.00 0.00 N ATOM 692 CA GLN A 47 -1.108 4.110 14.753 1.00 0.00 C ATOM 693 C GLN A 47 0.016 3.460 13.951 1.00 0.00 C ATOM 694 O GLN A 47 1.155 3.926 13.929 1.00 0.00 O ATOM 695 CB GLN A 47 -0.680 5.478 15.286 1.00 0.00 C ATOM 696 CG GLN A 47 -1.805 6.289 15.923 1.00 0.00 C ATOM 697 CD GLN A 47 -1.235 7.619 16.383 1.00 0.00 C ATOM 698 OE1 GLN A 47 -1.147 8.571 15.613 1.00 0.00 O ATOM 699 NE2 GLN A 47 -0.779 7.712 17.621 1.00 0.00 N ATOM 0 H GLN A 47 -1.039 3.547 16.744 1.00 0.00 H new ATOM 0 HA GLN A 47 -1.980 4.267 14.119 1.00 0.00 H new ATOM 0 HB2 GLN A 47 0.110 5.336 16.023 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -0.252 6.055 14.467 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -2.610 6.449 15.206 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -2.232 5.747 16.767 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -0.856 6.916 18.254 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -0.350 8.580 17.943 1.00 0.00 H new ATOM 708 N GLU A 48 -0.289 2.342 13.314 1.00 0.00 N ATOM 709 CA GLU A 48 0.604 1.640 12.419 1.00 0.00 C ATOM 710 C GLU A 48 -0.221 1.199 11.223 1.00 0.00 C ATOM 711 O GLU A 48 -1.347 0.731 11.391 1.00 0.00 O ATOM 712 CB GLU A 48 1.214 0.471 13.188 1.00 0.00 C ATOM 713 CG GLU A 48 2.015 -0.473 12.295 1.00 0.00 C ATOM 714 CD GLU A 48 2.846 -1.420 13.160 1.00 0.00 C ATOM 715 OE1 GLU A 48 2.263 -2.213 13.929 1.00 0.00 O ATOM 716 OE2 GLU A 48 4.098 -1.361 13.149 1.00 0.00 O ATOM 0 H GLU A 48 -1.196 1.886 13.412 1.00 0.00 H new ATOM 0 HA GLU A 48 1.427 2.257 12.057 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.863 0.858 13.973 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.418 -0.089 13.679 1.00 0.00 H new ATOM 0 HG2 GLU A 48 1.341 -1.045 11.657 1.00 0.00 H new ATOM 0 HG3 GLU A 48 2.667 0.100 11.636 1.00 0.00 H new ATOM 723 N TYR A 49 0.318 1.377 10.022 1.00 0.00 N ATOM 724 CA TYR A 49 -0.375 1.007 8.798 1.00 0.00 C ATOM 725 C TYR A 49 0.043 -0.391 8.341 1.00 0.00 C ATOM 726 O TYR A 49 1.129 -0.883 8.648 1.00 0.00 O ATOM 727 CB TYR A 49 -0.138 2.038 7.688 1.00 0.00 C ATOM 728 CG TYR A 49 -0.732 3.422 7.865 1.00 0.00 C ATOM 729 CD1 TYR A 49 -2.116 3.585 8.055 1.00 0.00 C ATOM 730 CD2 TYR A 49 0.085 4.557 7.711 1.00 0.00 C ATOM 731 CE1 TYR A 49 -2.679 4.873 8.107 1.00 0.00 C ATOM 732 CE2 TYR A 49 -0.476 5.844 7.708 1.00 0.00 C ATOM 733 CZ TYR A 49 -1.865 6.013 7.900 1.00 0.00 C ATOM 734 OH TYR A 49 -2.407 7.262 7.834 1.00 0.00 O ATOM 0 H TYR A 49 1.243 1.780 9.872 1.00 0.00 H new ATOM 0 HA TYR A 49 -1.444 0.992 9.012 1.00 0.00 H new ATOM 0 HB2 TYR A 49 0.939 2.150 7.561 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -0.528 1.624 6.758 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -2.750 2.717 8.162 1.00 0.00 H new ATOM 0 HD2 TYR A 49 1.152 4.437 7.594 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -3.734 4.993 8.305 1.00 0.00 H new ATOM 0 HE2 TYR A 49 0.156 6.707 7.559 1.00 0.00 H new ATOM 0 HH TYR A 49 -3.369 7.192 7.659 1.00 0.00 H new ATOM 744 N VAL A 50 -0.810 -1.018 7.540 1.00 0.00 N ATOM 745 CA VAL A 50 -0.620 -2.306 6.903 1.00 0.00 C ATOM 746 C VAL A 50 -0.917 -2.081 5.425 1.00 0.00 C ATOM 747 O VAL A 50 -1.952 -1.520 5.061 1.00 0.00 O ATOM 748 CB VAL A 50 -1.570 -3.342 7.539 1.00 0.00 C ATOM 749 CG1 VAL A 50 -1.658 -4.661 6.759 1.00 0.00 C ATOM 750 CG2 VAL A 50 -1.188 -3.704 8.971 1.00 0.00 C ATOM 0 H VAL A 50 -1.714 -0.607 7.305 1.00 0.00 H new ATOM 0 HA VAL A 50 0.390 -2.697 7.029 1.00 0.00 H new ATOM 0 HB VAL A 50 -2.535 -2.835 7.517 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -2.344 -5.339 7.267 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -2.022 -4.464 5.751 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -0.670 -5.118 6.705 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -1.894 -4.436 9.362 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -0.183 -4.126 8.984 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -1.213 -2.808 9.592 1.00 0.00 H new ATOM 760 N LEU A 51 -0.006 -2.512 4.565 1.00 0.00 N ATOM 761 CA LEU A 51 -0.292 -2.703 3.164 1.00 0.00 C ATOM 762 C LEU A 51 -1.052 -4.009 3.054 1.00 0.00 C ATOM 763 O LEU A 51 -0.630 -5.011 3.635 1.00 0.00 O ATOM 764 CB LEU A 51 1.025 -2.826 2.393 1.00 0.00 C ATOM 765 CG LEU A 51 0.808 -2.702 0.880 1.00 0.00 C ATOM 766 CD1 LEU A 51 0.469 -1.264 0.476 1.00 0.00 C ATOM 767 CD2 LEU A 51 2.089 -3.157 0.199 1.00 0.00 C ATOM 0 H LEU A 51 0.954 -2.738 4.827 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.865 -1.870 2.758 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.716 -2.052 2.727 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.490 -3.786 2.617 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.036 -3.321 0.576 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.322 -1.214 -0.603 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.444 -0.950 0.982 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.288 -0.603 0.761 1.00 0.00 H new ATOM 0 HD21 LEU A 51 1.972 -3.083 -0.882 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.916 -2.523 0.519 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.298 -4.192 0.471 1.00 0.00 H new ATOM 779 N SER A 52 -2.131 -4.046 2.286 1.00 0.00 N ATOM 780 CA SER A 52 -2.909 -5.261 2.093 1.00 0.00 C ATOM 781 C SER A 52 -3.004 -5.466 0.592 1.00 0.00 C ATOM 782 O SER A 52 -3.629 -4.640 -0.065 1.00 0.00 O ATOM 783 CB SER A 52 -4.272 -5.143 2.781 1.00 0.00 C ATOM 784 OG SER A 52 -4.190 -4.376 3.968 1.00 0.00 O ATOM 0 H SER A 52 -2.491 -3.237 1.780 1.00 0.00 H new ATOM 0 HA SER A 52 -2.440 -6.132 2.550 1.00 0.00 H new ATOM 0 HB2 SER A 52 -4.987 -4.683 2.098 1.00 0.00 H new ATOM 0 HB3 SER A 52 -4.650 -6.138 3.015 1.00 0.00 H new ATOM 0 HG SER A 52 -4.888 -3.688 3.962 1.00 0.00 H new ATOM 790 N VAL A 53 -2.316 -6.472 0.045 1.00 0.00 N ATOM 791 CA VAL A 53 -2.211 -6.715 -1.389 1.00 0.00 C ATOM 792 C VAL A 53 -2.486 -8.194 -1.679 1.00 0.00 C ATOM 793 O VAL A 53 -2.022 -9.066 -0.944 1.00 0.00 O ATOM 794 CB VAL A 53 -0.875 -6.163 -1.934 1.00 0.00 C ATOM 795 CG1 VAL A 53 0.342 -6.454 -1.050 1.00 0.00 C ATOM 796 CG2 VAL A 53 -0.585 -6.569 -3.387 1.00 0.00 C ATOM 0 H VAL A 53 -1.805 -7.155 0.605 1.00 0.00 H new ATOM 0 HA VAL A 53 -2.975 -6.165 -1.939 1.00 0.00 H new ATOM 0 HB VAL A 53 -1.032 -5.085 -1.913 1.00 0.00 H new ATOM 0 HG11 VAL A 53 1.235 -6.030 -1.509 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.193 -6.007 -0.067 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.465 -7.532 -0.944 1.00 0.00 H new ATOM 0 HG21 VAL A 53 0.369 -6.145 -3.700 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -0.540 -7.656 -3.459 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -1.378 -6.195 -4.034 1.00 0.00 H new ATOM 806 N LEU A 54 -3.312 -8.469 -2.690 1.00 0.00 N ATOM 807 CA LEU A 54 -3.778 -9.802 -3.054 1.00 0.00 C ATOM 808 C LEU A 54 -2.732 -10.376 -3.990 1.00 0.00 C ATOM 809 O LEU A 54 -2.393 -9.736 -4.987 1.00 0.00 O ATOM 810 CB LEU A 54 -5.142 -9.684 -3.752 1.00 0.00 C ATOM 811 CG LEU A 54 -5.950 -10.980 -3.948 1.00 0.00 C ATOM 812 CD1 LEU A 54 -6.422 -11.595 -2.643 1.00 0.00 C ATOM 813 CD2 LEU A 54 -7.137 -10.742 -4.867 1.00 0.00 C ATOM 0 H LEU A 54 -3.687 -7.741 -3.298 1.00 0.00 H new ATOM 0 HA LEU A 54 -3.907 -10.449 -2.186 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -5.755 -8.988 -3.179 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -4.981 -9.235 -4.732 1.00 0.00 H new ATOM 0 HG LEU A 54 -5.267 -11.694 -4.408 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -6.985 -12.505 -2.852 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -5.560 -11.836 -2.022 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -7.061 -10.886 -2.117 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -7.693 -11.671 -4.991 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -7.788 -9.985 -4.431 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -6.782 -10.399 -5.839 1.00 0.00 H new ATOM 825 N TRP A 55 -2.210 -11.556 -3.686 1.00 0.00 N ATOM 826 CA TRP A 55 -1.169 -12.183 -4.479 1.00 0.00 C ATOM 827 C TRP A 55 -1.558 -13.649 -4.601 1.00 0.00 C ATOM 828 O TRP A 55 -1.650 -14.321 -3.575 1.00 0.00 O ATOM 829 CB TRP A 55 0.194 -11.932 -3.804 1.00 0.00 C ATOM 830 CG TRP A 55 1.388 -11.859 -4.712 1.00 0.00 C ATOM 831 CD1 TRP A 55 2.548 -12.531 -4.538 1.00 0.00 C ATOM 832 CD2 TRP A 55 1.588 -11.026 -5.899 1.00 0.00 C ATOM 833 NE1 TRP A 55 3.431 -12.201 -5.545 1.00 0.00 N ATOM 834 CE2 TRP A 55 2.901 -11.261 -6.412 1.00 0.00 C ATOM 835 CE3 TRP A 55 0.804 -10.068 -6.578 1.00 0.00 C ATOM 836 CZ2 TRP A 55 3.416 -10.548 -7.509 1.00 0.00 C ATOM 837 CZ3 TRP A 55 1.280 -9.410 -7.726 1.00 0.00 C ATOM 838 CH2 TRP A 55 2.581 -9.657 -8.193 1.00 0.00 C ATOM 0 H TRP A 55 -2.500 -12.106 -2.877 1.00 0.00 H new ATOM 0 HA TRP A 55 -1.070 -11.773 -5.484 1.00 0.00 H new ATOM 0 HB2 TRP A 55 0.132 -10.997 -3.247 1.00 0.00 H new ATOM 0 HB3 TRP A 55 0.366 -12.726 -3.077 1.00 0.00 H new ATOM 0 HD1 TRP A 55 2.752 -13.221 -3.733 1.00 0.00 H new ATOM 0 HE1 TRP A 55 4.364 -12.602 -5.640 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -0.183 -9.835 -6.207 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 4.441 -10.686 -7.819 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 0.643 -8.713 -8.250 1.00 0.00 H new ATOM 0 HH2 TRP A 55 2.938 -9.158 -9.082 1.00 0.00 H new ATOM 849 N ASP A 56 -1.831 -14.116 -5.824 1.00 0.00 N ATOM 850 CA ASP A 56 -2.136 -15.516 -6.157 1.00 0.00 C ATOM 851 C ASP A 56 -3.102 -16.151 -5.142 1.00 0.00 C ATOM 852 O ASP A 56 -2.819 -17.175 -4.520 1.00 0.00 O ATOM 853 CB ASP A 56 -0.807 -16.255 -6.368 1.00 0.00 C ATOM 854 CG ASP A 56 -0.902 -17.766 -6.545 1.00 0.00 C ATOM 855 OD1 ASP A 56 -1.640 -18.264 -7.424 1.00 0.00 O ATOM 856 OD2 ASP A 56 -0.134 -18.470 -5.841 1.00 0.00 O ATOM 0 H ASP A 56 -1.847 -13.507 -6.642 1.00 0.00 H new ATOM 0 HA ASP A 56 -2.692 -15.588 -7.092 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -0.317 -15.836 -7.247 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -0.161 -16.049 -5.515 1.00 0.00 H new ATOM 861 N GLY A 57 -4.256 -15.493 -4.967 1.00 0.00 N ATOM 862 CA GLY A 57 -5.378 -15.996 -4.180 1.00 0.00 C ATOM 863 C GLY A 57 -5.320 -15.648 -2.695 1.00 0.00 C ATOM 864 O GLY A 57 -6.187 -16.097 -1.942 1.00 0.00 O ATOM 0 H GLY A 57 -4.434 -14.577 -5.379 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -6.304 -15.599 -4.597 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -5.421 -17.080 -4.284 1.00 0.00 H new ATOM 868 N LEU A 58 -4.326 -14.876 -2.237 1.00 0.00 N ATOM 869 CA LEU A 58 -4.074 -14.666 -0.810 1.00 0.00 C ATOM 870 C LEU A 58 -3.862 -13.176 -0.534 1.00 0.00 C ATOM 871 O LEU A 58 -2.842 -12.624 -0.951 1.00 0.00 O ATOM 872 CB LEU A 58 -2.874 -15.515 -0.354 1.00 0.00 C ATOM 873 CG LEU A 58 -2.865 -15.834 1.154 1.00 0.00 C ATOM 874 CD1 LEU A 58 -1.677 -16.757 1.443 1.00 0.00 C ATOM 875 CD2 LEU A 58 -2.753 -14.602 2.064 1.00 0.00 C ATOM 0 H LEU A 58 -3.676 -14.381 -2.847 1.00 0.00 H new ATOM 0 HA LEU A 58 -4.940 -14.989 -0.232 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -2.872 -16.451 -0.912 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -1.953 -14.990 -0.609 1.00 0.00 H new ATOM 0 HG LEU A 58 -3.826 -16.298 1.379 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.652 -16.996 2.506 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.782 -17.676 0.867 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.751 -16.257 1.161 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.754 -14.919 3.107 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.826 -14.072 1.847 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.600 -13.939 1.885 1.00 0.00 H new ATOM 887 N PRO A 59 -4.789 -12.501 0.168 1.00 0.00 N ATOM 888 CA PRO A 59 -4.636 -11.115 0.591 1.00 0.00 C ATOM 889 C PRO A 59 -3.576 -11.046 1.686 1.00 0.00 C ATOM 890 O PRO A 59 -3.856 -11.269 2.870 1.00 0.00 O ATOM 891 CB PRO A 59 -6.018 -10.667 1.060 1.00 0.00 C ATOM 892 CG PRO A 59 -6.608 -11.967 1.581 1.00 0.00 C ATOM 893 CD PRO A 59 -6.034 -13.047 0.686 1.00 0.00 C ATOM 0 HA PRO A 59 -4.295 -10.452 -0.204 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -5.959 -9.905 1.837 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -6.609 -10.247 0.246 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -6.337 -12.133 2.623 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -7.697 -11.953 1.533 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -5.857 -13.966 1.244 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -6.722 -13.293 -0.123 1.00 0.00 H new ATOM 901 N ARG A 60 -2.333 -10.777 1.292 1.00 0.00 N ATOM 902 CA ARG A 60 -1.236 -10.592 2.217 1.00 0.00 C ATOM 903 C ARG A 60 -1.531 -9.392 3.121 1.00 0.00 C ATOM 904 O ARG A 60 -2.420 -8.577 2.861 1.00 0.00 O ATOM 905 CB ARG A 60 0.054 -10.393 1.405 1.00 0.00 C ATOM 906 CG ARG A 60 0.387 -11.545 0.435 1.00 0.00 C ATOM 907 CD ARG A 60 0.794 -12.794 1.221 1.00 0.00 C ATOM 908 NE ARG A 60 1.067 -13.956 0.362 1.00 0.00 N ATOM 909 CZ ARG A 60 1.740 -15.043 0.754 1.00 0.00 C ATOM 910 NH1 ARG A 60 2.144 -15.172 2.014 1.00 0.00 N ATOM 911 NH2 ARG A 60 1.967 -16.027 -0.097 1.00 0.00 N ATOM 0 H ARG A 60 -2.065 -10.682 0.312 1.00 0.00 H new ATOM 0 HA ARG A 60 -1.112 -11.465 2.858 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -0.031 -9.468 0.834 1.00 0.00 H new ATOM 0 HB3 ARG A 60 0.887 -10.266 2.097 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -0.478 -11.765 -0.191 1.00 0.00 H new ATOM 0 HG3 ARG A 60 1.195 -11.246 -0.232 1.00 0.00 H new ATOM 0 HD2 ARG A 60 1.682 -12.570 1.812 1.00 0.00 H new ATOM 0 HD3 ARG A 60 0.000 -13.048 1.923 1.00 0.00 H new ATOM 0 HE ARG A 60 0.720 -13.931 -0.597 1.00 0.00 H new ATOM 0 HH11 ARG A 60 1.941 -14.438 2.692 1.00 0.00 H new ATOM 0 HH12 ARG A 60 2.657 -16.005 2.302 1.00 0.00 H new ATOM 0 HH21 ARG A 60 1.629 -15.959 -1.057 1.00 0.00 H new ATOM 0 HH22 ARG A 60 2.481 -16.855 0.206 1.00 0.00 H new ATOM 925 N HIS A 61 -0.760 -9.290 4.199 1.00 0.00 N ATOM 926 CA HIS A 61 -0.794 -8.161 5.109 1.00 0.00 C ATOM 927 C HIS A 61 0.636 -7.932 5.572 1.00 0.00 C ATOM 928 O HIS A 61 1.098 -8.535 6.543 1.00 0.00 O ATOM 929 CB HIS A 61 -1.798 -8.406 6.258 1.00 0.00 C ATOM 930 CG HIS A 61 -1.556 -9.670 7.055 1.00 0.00 C ATOM 931 ND1 HIS A 61 -0.922 -9.760 8.274 1.00 0.00 N ATOM 932 CD2 HIS A 61 -1.782 -10.943 6.615 1.00 0.00 C ATOM 933 CE1 HIS A 61 -0.707 -11.063 8.527 1.00 0.00 C ATOM 934 NE2 HIS A 61 -1.241 -11.828 7.556 1.00 0.00 N ATOM 0 H HIS A 61 -0.083 -10.005 4.465 1.00 0.00 H new ATOM 0 HA HIS A 61 -1.156 -7.255 4.624 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -1.766 -7.554 6.937 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -2.804 -8.444 5.840 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -2.289 -11.219 5.702 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -0.179 -11.443 9.389 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -1.250 -12.847 7.514 1.00 0.00 H new ATOM 942 N PHE A 62 1.385 -7.124 4.837 1.00 0.00 N ATOM 943 CA PHE A 62 2.695 -6.674 5.266 1.00 0.00 C ATOM 944 C PHE A 62 2.494 -5.348 5.985 1.00 0.00 C ATOM 945 O PHE A 62 1.756 -4.492 5.502 1.00 0.00 O ATOM 946 CB PHE A 62 3.647 -6.566 4.076 1.00 0.00 C ATOM 947 CG PHE A 62 3.732 -7.825 3.228 1.00 0.00 C ATOM 948 CD1 PHE A 62 4.468 -8.947 3.655 1.00 0.00 C ATOM 949 CD2 PHE A 62 3.032 -7.889 2.015 1.00 0.00 C ATOM 950 CE1 PHE A 62 4.503 -10.115 2.868 1.00 0.00 C ATOM 951 CE2 PHE A 62 3.071 -9.047 1.223 1.00 0.00 C ATOM 952 CZ PHE A 62 3.805 -10.167 1.652 1.00 0.00 C ATOM 0 H PHE A 62 1.099 -6.763 3.927 1.00 0.00 H new ATOM 0 HA PHE A 62 3.161 -7.387 5.946 1.00 0.00 H new ATOM 0 HB2 PHE A 62 3.328 -5.737 3.444 1.00 0.00 H new ATOM 0 HB3 PHE A 62 4.644 -6.321 4.444 1.00 0.00 H new ATOM 0 HD1 PHE A 62 5.008 -8.912 4.590 1.00 0.00 H new ATOM 0 HD2 PHE A 62 2.456 -7.037 1.686 1.00 0.00 H new ATOM 0 HE1 PHE A 62 5.069 -10.973 3.202 1.00 0.00 H new ATOM 0 HE2 PHE A 62 2.537 -9.078 0.284 1.00 0.00 H new ATOM 0 HZ PHE A 62 3.831 -11.062 1.049 1.00 0.00 H new ATOM 962 N ILE A 63 3.077 -5.180 7.168 1.00 0.00 N ATOM 963 CA ILE A 63 3.073 -3.881 7.839 1.00 0.00 C ATOM 964 C ILE A 63 3.796 -2.898 6.907 1.00 0.00 C ATOM 965 O ILE A 63 4.772 -3.274 6.240 1.00 0.00 O ATOM 966 CB ILE A 63 3.675 -4.043 9.260 1.00 0.00 C ATOM 967 CG1 ILE A 63 2.663 -4.765 10.184 1.00 0.00 C ATOM 968 CG2 ILE A 63 4.138 -2.727 9.898 1.00 0.00 C ATOM 969 CD1 ILE A 63 1.563 -3.881 10.785 1.00 0.00 C ATOM 0 H ILE A 63 3.556 -5.921 7.680 1.00 0.00 H new ATOM 0 HA ILE A 63 2.077 -3.473 8.013 1.00 0.00 H new ATOM 0 HB ILE A 63 4.575 -4.647 9.142 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.190 -5.567 9.617 1.00 0.00 H new ATOM 0 HG13 ILE A 63 3.214 -5.233 11.000 1.00 0.00 H new ATOM 0 HG21 ILE A 63 4.546 -2.927 10.889 1.00 0.00 H new ATOM 0 HG22 ILE A 63 4.907 -2.271 9.274 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.291 -2.047 9.985 1.00 0.00 H new ATOM 0 HD11 ILE A 63 0.912 -4.488 11.414 1.00 0.00 H new ATOM 0 HD12 ILE A 63 2.017 -3.093 11.386 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.977 -3.433 9.982 1.00 0.00 H new ATOM 981 N ILE A 64 3.276 -1.673 6.800 1.00 0.00 N ATOM 982 CA ILE A 64 3.952 -0.592 6.100 1.00 0.00 C ATOM 983 C ILE A 64 5.287 -0.364 6.802 1.00 0.00 C ATOM 984 O ILE A 64 5.407 -0.522 8.016 1.00 0.00 O ATOM 985 CB ILE A 64 3.073 0.675 6.084 1.00 0.00 C ATOM 986 CG1 ILE A 64 1.803 0.492 5.235 1.00 0.00 C ATOM 987 CG2 ILE A 64 3.811 1.943 5.639 1.00 0.00 C ATOM 988 CD1 ILE A 64 2.023 0.430 3.730 1.00 0.00 C ATOM 0 H ILE A 64 2.375 -1.408 7.198 1.00 0.00 H new ATOM 0 HA ILE A 64 4.131 -0.848 5.056 1.00 0.00 H new ATOM 0 HB ILE A 64 2.790 0.817 7.127 1.00 0.00 H new ATOM 0 HG12 ILE A 64 1.306 -0.426 5.550 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.121 1.314 5.451 1.00 0.00 H new ATOM 0 HG21 ILE A 64 3.123 2.789 5.655 1.00 0.00 H new ATOM 0 HG22 ILE A 64 4.642 2.138 6.318 1.00 0.00 H new ATOM 0 HG23 ILE A 64 4.193 1.805 4.628 1.00 0.00 H new ATOM 0 HD11 ILE A 64 1.065 0.300 3.227 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.487 1.356 3.392 1.00 0.00 H new ATOM 0 HD13 ILE A 64 2.675 -0.411 3.492 1.00 0.00 H new ATOM 1000 N GLN A 65 6.278 -0.011 5.999 1.00 0.00 N ATOM 1001 CA GLN A 65 7.652 0.188 6.413 1.00 0.00 C ATOM 1002 C GLN A 65 7.742 1.259 7.489 1.00 0.00 C ATOM 1003 O GLN A 65 6.796 2.013 7.694 1.00 0.00 O ATOM 1004 CB GLN A 65 8.524 0.578 5.205 1.00 0.00 C ATOM 1005 CG GLN A 65 8.127 -0.044 3.854 1.00 0.00 C ATOM 1006 CD GLN A 65 7.042 0.715 3.099 1.00 0.00 C ATOM 1007 OE1 GLN A 65 5.863 0.403 3.226 1.00 0.00 O ATOM 1008 NE2 GLN A 65 7.388 1.697 2.284 1.00 0.00 N ATOM 0 H GLN A 65 6.138 0.150 5.002 1.00 0.00 H new ATOM 0 HA GLN A 65 8.021 -0.750 6.828 1.00 0.00 H new ATOM 0 HB2 GLN A 65 8.503 1.663 5.103 1.00 0.00 H new ATOM 0 HB3 GLN A 65 9.555 0.298 5.422 1.00 0.00 H new ATOM 0 HG2 GLN A 65 9.014 -0.106 3.223 1.00 0.00 H new ATOM 0 HG3 GLN A 65 7.785 -1.065 4.026 1.00 0.00 H new ATOM 0 HE21 GLN A 65 8.370 1.953 2.182 1.00 0.00 H new ATOM 0 HE22 GLN A 65 6.673 2.199 1.758 1.00 0.00 H new ATOM 1017 N SER A 66 8.916 1.374 8.100 1.00 0.00 N ATOM 1018 CA SER A 66 9.357 2.472 8.937 1.00 0.00 C ATOM 1019 C SER A 66 10.772 2.081 9.379 1.00 0.00 C ATOM 1020 O SER A 66 11.043 0.895 9.610 1.00 0.00 O ATOM 1021 CB SER A 66 8.388 2.686 10.113 1.00 0.00 C ATOM 1022 OG SER A 66 7.959 4.030 10.196 1.00 0.00 O ATOM 0 H SER A 66 9.630 0.650 8.014 1.00 0.00 H new ATOM 0 HA SER A 66 9.369 3.429 8.416 1.00 0.00 H new ATOM 0 HB2 SER A 66 7.523 2.034 9.995 1.00 0.00 H new ATOM 0 HB3 SER A 66 8.877 2.401 11.045 1.00 0.00 H new ATOM 0 HG SER A 66 7.344 4.131 10.952 1.00 0.00 H new ATOM 1028 N LEU A 67 11.689 3.042 9.432 1.00 0.00 N ATOM 1029 CA LEU A 67 13.091 2.851 9.812 1.00 0.00 C ATOM 1030 C LEU A 67 13.575 3.943 10.758 1.00 0.00 C ATOM 1031 O LEU A 67 14.319 3.630 11.688 1.00 0.00 O ATOM 1032 CB LEU A 67 14.032 2.760 8.598 1.00 0.00 C ATOM 1033 CG LEU A 67 13.870 3.881 7.549 1.00 0.00 C ATOM 1034 CD1 LEU A 67 15.172 4.065 6.761 1.00 0.00 C ATOM 1035 CD2 LEU A 67 12.697 3.577 6.611 1.00 0.00 C ATOM 0 H LEU A 67 11.472 4.012 9.204 1.00 0.00 H new ATOM 0 HA LEU A 67 13.125 1.893 10.332 1.00 0.00 H new ATOM 0 HB2 LEU A 67 15.061 2.767 8.956 1.00 0.00 H new ATOM 0 HB3 LEU A 67 13.872 1.800 8.107 1.00 0.00 H new ATOM 0 HG LEU A 67 13.651 4.815 8.067 1.00 0.00 H new ATOM 0 HD11 LEU A 67 15.043 4.859 6.025 1.00 0.00 H new ATOM 0 HD12 LEU A 67 15.977 4.332 7.446 1.00 0.00 H new ATOM 0 HD13 LEU A 67 15.423 3.135 6.251 1.00 0.00 H new ATOM 0 HD21 LEU A 67 12.599 4.379 5.879 1.00 0.00 H new ATOM 0 HD22 LEU A 67 12.879 2.634 6.095 1.00 0.00 H new ATOM 0 HD23 LEU A 67 11.777 3.501 7.191 1.00 0.00 H new ATOM 1047 N ASP A 68 13.166 5.195 10.551 1.00 0.00 N ATOM 1048 CA ASP A 68 13.317 6.257 11.539 1.00 0.00 C ATOM 1049 C ASP A 68 12.188 7.254 11.333 1.00 0.00 C ATOM 1050 O ASP A 68 11.207 7.267 12.076 1.00 0.00 O ATOM 1051 CB ASP A 68 14.689 6.926 11.399 1.00 0.00 C ATOM 1052 CG ASP A 68 15.083 7.703 12.650 1.00 0.00 C ATOM 1053 OD1 ASP A 68 14.195 8.215 13.363 1.00 0.00 O ATOM 1054 OD2 ASP A 68 16.301 7.831 12.913 1.00 0.00 O ATOM 0 H ASP A 68 12.718 5.500 9.687 1.00 0.00 H new ATOM 0 HA ASP A 68 13.262 5.850 12.549 1.00 0.00 H new ATOM 0 HB2 ASP A 68 15.442 6.166 11.194 1.00 0.00 H new ATOM 0 HB3 ASP A 68 14.676 7.601 10.543 1.00 0.00 H new ATOM 1059 N ASN A 69 12.269 7.997 10.228 1.00 0.00 N ATOM 1060 CA ASN A 69 11.321 8.996 9.780 1.00 0.00 C ATOM 1061 C ASN A 69 11.069 8.857 8.271 1.00 0.00 C ATOM 1062 O ASN A 69 10.782 9.834 7.581 1.00 0.00 O ATOM 1063 CB ASN A 69 11.875 10.373 10.156 1.00 0.00 C ATOM 1064 CG ASN A 69 10.898 11.507 9.897 1.00 0.00 C ATOM 1065 OD1 ASN A 69 9.711 11.441 10.212 1.00 0.00 O ATOM 1066 ND2 ASN A 69 11.373 12.570 9.283 1.00 0.00 N ATOM 0 H ASN A 69 13.055 7.904 9.585 1.00 0.00 H new ATOM 0 HA ASN A 69 10.354 8.861 10.265 1.00 0.00 H new ATOM 0 HB2 ASN A 69 12.147 10.371 11.212 1.00 0.00 H new ATOM 0 HB3 ASN A 69 12.790 10.555 9.592 1.00 0.00 H new ATOM 0 HD21 ASN A 69 10.755 13.351 9.063 1.00 0.00 H new ATOM 0 HD22 ASN A 69 12.359 12.613 9.027 1.00 0.00 H new ATOM 1073 N LEU A 70 11.258 7.657 7.725 1.00 0.00 N ATOM 1074 CA LEU A 70 11.055 7.320 6.309 1.00 0.00 C ATOM 1075 C LEU A 70 10.261 6.015 6.185 1.00 0.00 C ATOM 1076 O LEU A 70 9.875 5.428 7.188 1.00 0.00 O ATOM 1077 CB LEU A 70 12.407 7.151 5.600 1.00 0.00 C ATOM 1078 CG LEU A 70 13.409 8.305 5.762 1.00 0.00 C ATOM 1079 CD1 LEU A 70 14.812 7.712 5.840 1.00 0.00 C ATOM 1080 CD2 LEU A 70 13.223 9.302 4.621 1.00 0.00 C ATOM 0 H LEU A 70 11.570 6.857 8.276 1.00 0.00 H new ATOM 0 HA LEU A 70 10.500 8.133 5.842 1.00 0.00 H new ATOM 0 HB2 LEU A 70 12.875 6.238 5.968 1.00 0.00 H new ATOM 0 HB3 LEU A 70 12.220 7.007 4.536 1.00 0.00 H new ATOM 0 HG LEU A 70 13.241 8.864 6.683 1.00 0.00 H new ATOM 0 HD11 LEU A 70 15.540 8.515 5.955 1.00 0.00 H new ATOM 0 HD12 LEU A 70 14.875 7.039 6.695 1.00 0.00 H new ATOM 0 HD13 LEU A 70 15.024 7.158 4.926 1.00 0.00 H new ATOM 0 HD21 LEU A 70 13.933 10.121 4.734 1.00 0.00 H new ATOM 0 HD22 LEU A 70 13.396 8.801 3.668 1.00 0.00 H new ATOM 0 HD23 LEU A 70 12.207 9.696 4.644 1.00 0.00 H new ATOM 1092 N TYR A 71 10.117 5.479 4.969 1.00 0.00 N ATOM 1093 CA TYR A 71 9.459 4.201 4.711 1.00 0.00 C ATOM 1094 C TYR A 71 10.219 3.433 3.621 1.00 0.00 C ATOM 1095 O TYR A 71 10.152 3.858 2.477 1.00 0.00 O ATOM 1096 CB TYR A 71 8.004 4.484 4.270 1.00 0.00 C ATOM 1097 CG TYR A 71 7.243 5.454 5.150 1.00 0.00 C ATOM 1098 CD1 TYR A 71 6.768 5.015 6.389 1.00 0.00 C ATOM 1099 CD2 TYR A 71 7.067 6.797 4.774 1.00 0.00 C ATOM 1100 CE1 TYR A 71 6.101 5.876 7.264 1.00 0.00 C ATOM 1101 CE2 TYR A 71 6.409 7.688 5.640 1.00 0.00 C ATOM 1102 CZ TYR A 71 5.911 7.224 6.881 1.00 0.00 C ATOM 1103 OH TYR A 71 5.226 8.070 7.692 1.00 0.00 O ATOM 0 H TYR A 71 10.462 5.932 4.123 1.00 0.00 H new ATOM 0 HA TYR A 71 9.454 3.587 5.612 1.00 0.00 H new ATOM 0 HB2 TYR A 71 8.019 4.875 3.253 1.00 0.00 H new ATOM 0 HB3 TYR A 71 7.460 3.540 4.241 1.00 0.00 H new ATOM 0 HD1 TYR A 71 6.920 3.985 6.677 1.00 0.00 H new ATOM 0 HD2 TYR A 71 7.437 7.144 3.821 1.00 0.00 H new ATOM 0 HE1 TYR A 71 5.737 5.519 8.216 1.00 0.00 H new ATOM 0 HE2 TYR A 71 6.284 8.723 5.359 1.00 0.00 H new ATOM 0 HH TYR A 71 5.188 8.959 7.280 1.00 0.00 H new ATOM 1113 N ARG A 72 10.944 2.340 3.916 1.00 0.00 N ATOM 1114 CA ARG A 72 11.786 1.611 2.945 1.00 0.00 C ATOM 1115 C ARG A 72 11.491 0.111 2.940 1.00 0.00 C ATOM 1116 O ARG A 72 11.241 -0.432 4.011 1.00 0.00 O ATOM 1117 CB ARG A 72 13.266 1.799 3.322 1.00 0.00 C ATOM 1118 CG ARG A 72 13.729 1.104 4.622 1.00 0.00 C ATOM 1119 CD ARG A 72 14.361 -0.280 4.442 1.00 0.00 C ATOM 1120 NE ARG A 72 15.651 -0.179 3.743 1.00 0.00 N ATOM 1121 CZ ARG A 72 16.160 -1.023 2.839 1.00 0.00 C ATOM 1122 NH1 ARG A 72 15.591 -2.196 2.582 1.00 0.00 N ATOM 1123 NH2 ARG A 72 17.257 -0.699 2.167 1.00 0.00 N ATOM 0 H ARG A 72 10.963 1.930 4.850 1.00 0.00 H new ATOM 0 HA ARG A 72 11.567 2.013 1.956 1.00 0.00 H new ATOM 0 HB2 ARG A 72 13.879 1.431 2.499 1.00 0.00 H new ATOM 0 HB3 ARG A 72 13.464 2.867 3.415 1.00 0.00 H new ATOM 0 HG2 ARG A 72 14.450 1.751 5.122 1.00 0.00 H new ATOM 0 HG3 ARG A 72 12.871 1.008 5.287 1.00 0.00 H new ATOM 0 HD2 ARG A 72 14.506 -0.748 5.416 1.00 0.00 H new ATOM 0 HD3 ARG A 72 13.686 -0.922 3.877 1.00 0.00 H new ATOM 0 HE ARG A 72 16.226 0.631 3.975 1.00 0.00 H new ATOM 0 HH11 ARG A 72 14.744 -2.472 3.079 1.00 0.00 H new ATOM 0 HH12 ARG A 72 16.001 -2.820 1.887 1.00 0.00 H new ATOM 0 HH21 ARG A 72 17.715 0.196 2.339 1.00 0.00 H new ATOM 0 HH22 ARG A 72 17.643 -1.345 1.478 1.00 0.00 H new ATOM 1137 N LEU A 73 11.543 -0.592 1.801 1.00 0.00 N ATOM 1138 CA LEU A 73 11.198 -2.020 1.778 1.00 0.00 C ATOM 1139 C LEU A 73 12.116 -2.887 0.944 1.00 0.00 C ATOM 1140 O LEU A 73 12.266 -4.071 1.254 1.00 0.00 O ATOM 1141 CB LEU A 73 9.767 -2.206 1.272 1.00 0.00 C ATOM 1142 CG LEU A 73 9.107 -3.523 1.666 1.00 0.00 C ATOM 1143 CD1 LEU A 73 9.218 -3.871 3.156 1.00 0.00 C ATOM 1144 CD2 LEU A 73 7.659 -3.377 1.271 1.00 0.00 C ATOM 0 H LEU A 73 11.816 -0.204 0.898 1.00 0.00 H new ATOM 0 HA LEU A 73 11.310 -2.351 2.811 1.00 0.00 H new ATOM 0 HB2 LEU A 73 9.156 -1.385 1.647 1.00 0.00 H new ATOM 0 HB3 LEU A 73 9.770 -2.130 0.185 1.00 0.00 H new ATOM 0 HG LEU A 73 9.616 -4.344 1.161 1.00 0.00 H new ATOM 0 HD11 LEU A 73 8.721 -4.823 3.345 1.00 0.00 H new ATOM 0 HD12 LEU A 73 10.269 -3.948 3.434 1.00 0.00 H new ATOM 0 HD13 LEU A 73 8.742 -3.089 3.749 1.00 0.00 H new ATOM 0 HD21 LEU A 73 7.119 -4.289 1.525 1.00 0.00 H new ATOM 0 HD22 LEU A 73 7.219 -2.535 1.805 1.00 0.00 H new ATOM 0 HD23 LEU A 73 7.591 -3.202 0.197 1.00 0.00 H new ATOM 1156 N GLU A 74 12.710 -2.320 -0.093 1.00 0.00 N ATOM 1157 CA GLU A 74 13.507 -3.041 -1.074 1.00 0.00 C ATOM 1158 C GLU A 74 14.697 -2.183 -1.489 1.00 0.00 C ATOM 1159 O GLU A 74 15.809 -2.679 -1.644 1.00 0.00 O ATOM 1160 CB GLU A 74 12.629 -3.353 -2.292 1.00 0.00 C ATOM 1161 CG GLU A 74 13.305 -4.219 -3.370 1.00 0.00 C ATOM 1162 CD GLU A 74 13.926 -5.535 -2.883 1.00 0.00 C ATOM 1163 OE1 GLU A 74 13.584 -6.049 -1.792 1.00 0.00 O ATOM 1164 OE2 GLU A 74 14.774 -6.102 -3.605 1.00 0.00 O ATOM 0 H GLU A 74 12.650 -1.319 -0.281 1.00 0.00 H new ATOM 0 HA GLU A 74 13.877 -3.973 -0.646 1.00 0.00 H new ATOM 0 HB2 GLU A 74 11.727 -3.861 -1.951 1.00 0.00 H new ATOM 0 HB3 GLU A 74 12.314 -2.413 -2.746 1.00 0.00 H new ATOM 0 HG2 GLU A 74 12.567 -4.451 -4.138 1.00 0.00 H new ATOM 0 HG3 GLU A 74 14.086 -3.626 -3.847 1.00 0.00 H new ATOM 1171 N GLY A 75 14.434 -0.885 -1.627 1.00 0.00 N ATOM 1172 CA GLY A 75 15.353 0.182 -1.936 1.00 0.00 C ATOM 1173 C GLY A 75 15.265 1.239 -0.832 1.00 0.00 C ATOM 1174 O GLY A 75 14.720 0.953 0.239 1.00 0.00 O ATOM 0 H GLY A 75 13.483 -0.533 -1.513 1.00 0.00 H new ATOM 0 HA2 GLY A 75 16.370 -0.204 -2.010 1.00 0.00 H new ATOM 0 HA3 GLY A 75 15.109 0.623 -2.902 1.00 0.00 H new ATOM 1178 N GLU A 76 15.777 2.449 -1.083 1.00 0.00 N ATOM 1179 CA GLU A 76 15.798 3.553 -0.118 1.00 0.00 C ATOM 1180 C GLU A 76 14.397 3.931 0.388 1.00 0.00 C ATOM 1181 O GLU A 76 13.383 3.539 -0.198 1.00 0.00 O ATOM 1182 CB GLU A 76 16.515 4.779 -0.718 1.00 0.00 C ATOM 1183 CG GLU A 76 15.688 5.589 -1.738 1.00 0.00 C ATOM 1184 CD GLU A 76 16.395 6.868 -2.204 1.00 0.00 C ATOM 1185 OE1 GLU A 76 17.642 6.928 -2.221 1.00 0.00 O ATOM 1186 OE2 GLU A 76 15.708 7.869 -2.516 1.00 0.00 O ATOM 0 H GLU A 76 16.196 2.693 -1.980 1.00 0.00 H new ATOM 0 HA GLU A 76 16.356 3.204 0.751 1.00 0.00 H new ATOM 0 HB2 GLU A 76 16.809 5.442 0.096 1.00 0.00 H new ATOM 0 HB3 GLU A 76 17.432 4.443 -1.203 1.00 0.00 H new ATOM 0 HG2 GLU A 76 15.475 4.962 -2.604 1.00 0.00 H new ATOM 0 HG3 GLU A 76 14.729 5.853 -1.292 1.00 0.00 H new ATOM 1193 N GLY A 77 14.336 4.725 1.461 1.00 0.00 N ATOM 1194 CA GLY A 77 13.094 5.204 2.041 1.00 0.00 C ATOM 1195 C GLY A 77 12.716 6.581 1.518 1.00 0.00 C ATOM 1196 O GLY A 77 13.530 7.272 0.905 1.00 0.00 O ATOM 0 H GLY A 77 15.166 5.054 1.954 1.00 0.00 H new ATOM 0 HA2 GLY A 77 12.294 4.499 1.817 1.00 0.00 H new ATOM 0 HA3 GLY A 77 13.191 5.242 3.126 1.00 0.00 H new ATOM 1200 N PHE A 78 11.474 6.996 1.770 1.00 0.00 N ATOM 1201 CA PHE A 78 10.936 8.307 1.405 1.00 0.00 C ATOM 1202 C PHE A 78 10.128 8.864 2.588 1.00 0.00 C ATOM 1203 O PHE A 78 9.694 8.081 3.430 1.00 0.00 O ATOM 1204 CB PHE A 78 10.081 8.225 0.114 1.00 0.00 C ATOM 1205 CG PHE A 78 10.879 8.430 -1.168 1.00 0.00 C ATOM 1206 CD1 PHE A 78 11.816 7.474 -1.605 1.00 0.00 C ATOM 1207 CD2 PHE A 78 10.722 9.616 -1.915 1.00 0.00 C ATOM 1208 CE1 PHE A 78 12.583 7.701 -2.759 1.00 0.00 C ATOM 1209 CE2 PHE A 78 11.476 9.834 -3.081 1.00 0.00 C ATOM 1210 CZ PHE A 78 12.409 8.875 -3.505 1.00 0.00 C ATOM 0 H PHE A 78 10.792 6.409 2.250 1.00 0.00 H new ATOM 0 HA PHE A 78 11.759 8.988 1.189 1.00 0.00 H new ATOM 0 HB2 PHE A 78 9.592 7.251 0.075 1.00 0.00 H new ATOM 0 HB3 PHE A 78 9.292 8.976 0.164 1.00 0.00 H new ATOM 0 HD1 PHE A 78 11.946 6.558 -1.048 1.00 0.00 H new ATOM 0 HD2 PHE A 78 10.015 10.364 -1.588 1.00 0.00 H new ATOM 0 HE1 PHE A 78 13.311 6.967 -3.073 1.00 0.00 H new ATOM 0 HE2 PHE A 78 11.337 10.741 -3.651 1.00 0.00 H new ATOM 0 HZ PHE A 78 12.989 9.041 -4.401 1.00 0.00 H new ATOM 1220 N PRO A 79 9.886 10.187 2.639 1.00 0.00 N ATOM 1221 CA PRO A 79 9.157 10.885 3.709 1.00 0.00 C ATOM 1222 C PRO A 79 7.628 10.705 3.679 1.00 0.00 C ATOM 1223 O PRO A 79 6.921 11.240 4.532 1.00 0.00 O ATOM 1224 CB PRO A 79 9.486 12.364 3.493 1.00 0.00 C ATOM 1225 CG PRO A 79 9.719 12.461 1.994 1.00 0.00 C ATOM 1226 CD PRO A 79 10.394 11.143 1.665 1.00 0.00 C ATOM 0 HA PRO A 79 9.463 10.478 4.673 1.00 0.00 H new ATOM 0 HB2 PRO A 79 8.668 13.008 3.814 1.00 0.00 H new ATOM 0 HB3 PRO A 79 10.369 12.665 4.057 1.00 0.00 H new ATOM 0 HG2 PRO A 79 8.784 12.582 1.448 1.00 0.00 H new ATOM 0 HG3 PRO A 79 10.350 13.312 1.738 1.00 0.00 H new ATOM 0 HD2 PRO A 79 10.161 10.827 0.648 1.00 0.00 H new ATOM 0 HD3 PRO A 79 11.478 11.231 1.731 1.00 0.00 H new ATOM 1234 N SER A 80 7.088 10.006 2.682 1.00 0.00 N ATOM 1235 CA SER A 80 5.682 9.635 2.606 1.00 0.00 C ATOM 1236 C SER A 80 5.609 8.229 2.039 1.00 0.00 C ATOM 1237 O SER A 80 6.501 7.777 1.318 1.00 0.00 O ATOM 1238 CB SER A 80 4.922 10.622 1.730 1.00 0.00 C ATOM 1239 OG SER A 80 4.938 11.936 2.240 1.00 0.00 O ATOM 0 H SER A 80 7.633 9.675 1.886 1.00 0.00 H new ATOM 0 HA SER A 80 5.221 9.661 3.593 1.00 0.00 H new ATOM 0 HB2 SER A 80 5.356 10.621 0.730 1.00 0.00 H new ATOM 0 HB3 SER A 80 3.889 10.290 1.630 1.00 0.00 H new ATOM 0 HG SER A 80 4.438 12.526 1.639 1.00 0.00 H new ATOM 1245 N ILE A 81 4.535 7.545 2.408 1.00 0.00 N ATOM 1246 CA ILE A 81 4.152 6.260 1.862 1.00 0.00 C ATOM 1247 C ILE A 81 3.788 6.479 0.392 1.00 0.00 C ATOM 1248 O ILE A 81 4.357 5.776 -0.433 1.00 0.00 O ATOM 1249 CB ILE A 81 3.031 5.627 2.721 1.00 0.00 C ATOM 1250 CG1 ILE A 81 3.586 5.316 4.132 1.00 0.00 C ATOM 1251 CG2 ILE A 81 2.456 4.349 2.083 1.00 0.00 C ATOM 1252 CD1 ILE A 81 2.519 5.329 5.228 1.00 0.00 C ATOM 0 H ILE A 81 3.888 7.885 3.120 1.00 0.00 H new ATOM 0 HA ILE A 81 4.965 5.535 1.895 1.00 0.00 H new ATOM 0 HB ILE A 81 2.213 6.344 2.788 1.00 0.00 H new ATOM 0 HG12 ILE A 81 4.067 4.338 4.116 1.00 0.00 H new ATOM 0 HG13 ILE A 81 4.357 6.046 4.379 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.673 3.943 2.724 1.00 0.00 H new ATOM 0 HG22 ILE A 81 2.037 4.587 1.105 1.00 0.00 H new ATOM 0 HG23 ILE A 81 3.250 3.611 1.968 1.00 0.00 H new ATOM 0 HD11 ILE A 81 2.981 5.103 6.189 1.00 0.00 H new ATOM 0 HD12 ILE A 81 2.054 6.314 5.272 1.00 0.00 H new ATOM 0 HD13 ILE A 81 1.760 4.579 5.005 1.00 0.00 H new ATOM 1264 N PRO A 82 2.914 7.440 0.019 1.00 0.00 N ATOM 1265 CA PRO A 82 2.486 7.600 -1.373 1.00 0.00 C ATOM 1266 C PRO A 82 3.658 7.928 -2.294 1.00 0.00 C ATOM 1267 O PRO A 82 3.642 7.551 -3.461 1.00 0.00 O ATOM 1268 CB PRO A 82 1.426 8.712 -1.375 1.00 0.00 C ATOM 1269 CG PRO A 82 1.653 9.454 -0.066 1.00 0.00 C ATOM 1270 CD PRO A 82 2.172 8.367 0.861 1.00 0.00 C ATOM 0 HA PRO A 82 2.071 6.670 -1.760 1.00 0.00 H new ATOM 0 HB2 PRO A 82 1.546 9.374 -2.233 1.00 0.00 H new ATOM 0 HB3 PRO A 82 0.418 8.300 -1.429 1.00 0.00 H new ATOM 0 HG2 PRO A 82 2.374 10.263 -0.181 1.00 0.00 H new ATOM 0 HG3 PRO A 82 0.732 9.899 0.310 1.00 0.00 H new ATOM 0 HD2 PRO A 82 2.813 8.788 1.636 1.00 0.00 H new ATOM 0 HD3 PRO A 82 1.350 7.861 1.367 1.00 0.00 H new ATOM 1278 N LEU A 83 4.699 8.577 -1.758 1.00 0.00 N ATOM 1279 CA LEU A 83 5.889 8.887 -2.522 1.00 0.00 C ATOM 1280 C LEU A 83 6.600 7.593 -2.891 1.00 0.00 C ATOM 1281 O LEU A 83 7.078 7.459 -4.009 1.00 0.00 O ATOM 1282 CB LEU A 83 6.802 9.855 -1.739 1.00 0.00 C ATOM 1283 CG LEU A 83 6.507 11.343 -2.031 1.00 0.00 C ATOM 1284 CD1 LEU A 83 5.134 11.853 -1.578 1.00 0.00 C ATOM 1285 CD2 LEU A 83 7.569 12.228 -1.372 1.00 0.00 C ATOM 0 H LEU A 83 4.730 8.895 -0.789 1.00 0.00 H new ATOM 0 HA LEU A 83 5.613 9.397 -3.445 1.00 0.00 H new ATOM 0 HB2 LEU A 83 6.684 9.671 -0.671 1.00 0.00 H new ATOM 0 HB3 LEU A 83 7.842 9.643 -1.986 1.00 0.00 H new ATOM 0 HG LEU A 83 6.520 11.406 -3.119 1.00 0.00 H new ATOM 0 HD11 LEU A 83 5.035 12.908 -1.833 1.00 0.00 H new ATOM 0 HD12 LEU A 83 4.351 11.284 -2.079 1.00 0.00 H new ATOM 0 HD13 LEU A 83 5.038 11.730 -0.499 1.00 0.00 H new ATOM 0 HD21 LEU A 83 7.352 13.275 -1.584 1.00 0.00 H new ATOM 0 HD22 LEU A 83 7.560 12.066 -0.294 1.00 0.00 H new ATOM 0 HD23 LEU A 83 8.552 11.974 -1.769 1.00 0.00 H new ATOM 1297 N LEU A 84 6.702 6.641 -1.965 1.00 0.00 N ATOM 1298 CA LEU A 84 7.389 5.375 -2.187 1.00 0.00 C ATOM 1299 C LEU A 84 6.512 4.451 -3.031 1.00 0.00 C ATOM 1300 O LEU A 84 7.050 3.687 -3.824 1.00 0.00 O ATOM 1301 CB LEU A 84 7.637 4.735 -0.804 1.00 0.00 C ATOM 1302 CG LEU A 84 8.839 3.784 -0.667 1.00 0.00 C ATOM 1303 CD1 LEU A 84 9.081 2.848 -1.844 1.00 0.00 C ATOM 1304 CD2 LEU A 84 10.118 4.570 -0.444 1.00 0.00 C ATOM 0 H LEU A 84 6.305 6.730 -1.030 1.00 0.00 H new ATOM 0 HA LEU A 84 8.330 5.535 -2.714 1.00 0.00 H new ATOM 0 HB2 LEU A 84 7.760 5.539 -0.078 1.00 0.00 H new ATOM 0 HB3 LEU A 84 6.739 4.185 -0.522 1.00 0.00 H new ATOM 0 HG LEU A 84 8.575 3.161 0.188 1.00 0.00 H new ATOM 0 HD11 LEU A 84 9.951 2.224 -1.640 1.00 0.00 H new ATOM 0 HD12 LEU A 84 8.207 2.214 -1.990 1.00 0.00 H new ATOM 0 HD13 LEU A 84 9.259 3.435 -2.745 1.00 0.00 H new ATOM 0 HD21 LEU A 84 10.957 3.881 -0.349 1.00 0.00 H new ATOM 0 HD22 LEU A 84 10.289 5.235 -1.290 1.00 0.00 H new ATOM 0 HD23 LEU A 84 10.028 5.160 0.468 1.00 0.00 H new ATOM 1316 N ILE A 85 5.179 4.513 -2.894 1.00 0.00 N ATOM 1317 CA ILE A 85 4.273 3.682 -3.679 1.00 0.00 C ATOM 1318 C ILE A 85 4.633 3.798 -5.154 1.00 0.00 C ATOM 1319 O ILE A 85 4.716 2.762 -5.804 1.00 0.00 O ATOM 1320 CB ILE A 85 2.787 4.031 -3.414 1.00 0.00 C ATOM 1321 CG1 ILE A 85 2.317 3.615 -2.003 1.00 0.00 C ATOM 1322 CG2 ILE A 85 1.854 3.406 -4.466 1.00 0.00 C ATOM 1323 CD1 ILE A 85 2.425 2.129 -1.660 1.00 0.00 C ATOM 0 H ILE A 85 4.708 5.138 -2.239 1.00 0.00 H new ATOM 0 HA ILE A 85 4.394 2.644 -3.370 1.00 0.00 H new ATOM 0 HB ILE A 85 2.729 5.117 -3.485 1.00 0.00 H new ATOM 0 HG12 ILE A 85 2.896 4.177 -1.271 1.00 0.00 H new ATOM 0 HG13 ILE A 85 1.276 3.917 -1.887 1.00 0.00 H new ATOM 0 HG21 ILE A 85 0.822 3.676 -4.243 1.00 0.00 H new ATOM 0 HG22 ILE A 85 2.120 3.778 -5.455 1.00 0.00 H new ATOM 0 HG23 ILE A 85 1.958 2.321 -4.446 1.00 0.00 H new ATOM 0 HD11 ILE A 85 2.065 1.963 -0.645 1.00 0.00 H new ATOM 0 HD12 ILE A 85 1.821 1.550 -2.358 1.00 0.00 H new ATOM 0 HD13 ILE A 85 3.466 1.814 -1.732 1.00 0.00 H new ATOM 1335 N ASP A 86 4.873 5.001 -5.685 1.00 0.00 N ATOM 1336 CA ASP A 86 5.094 5.120 -7.128 1.00 0.00 C ATOM 1337 C ASP A 86 6.376 4.411 -7.542 1.00 0.00 C ATOM 1338 O ASP A 86 6.435 3.809 -8.606 1.00 0.00 O ATOM 1339 CB ASP A 86 5.125 6.580 -7.590 1.00 0.00 C ATOM 1340 CG ASP A 86 4.564 6.693 -9.015 1.00 0.00 C ATOM 1341 OD1 ASP A 86 3.367 6.365 -9.179 1.00 0.00 O ATOM 1342 OD2 ASP A 86 5.250 7.167 -9.949 1.00 0.00 O ATOM 0 H ASP A 86 4.918 5.875 -5.161 1.00 0.00 H new ATOM 0 HA ASP A 86 4.248 4.637 -7.617 1.00 0.00 H new ATOM 0 HB2 ASP A 86 4.539 7.198 -6.910 1.00 0.00 H new ATOM 0 HB3 ASP A 86 6.147 6.957 -7.562 1.00 0.00 H new ATOM 1347 N HIS A 87 7.393 4.437 -6.682 1.00 0.00 N ATOM 1348 CA HIS A 87 8.662 3.774 -6.920 1.00 0.00 C ATOM 1349 C HIS A 87 8.562 2.250 -6.816 1.00 0.00 C ATOM 1350 O HIS A 87 9.438 1.549 -7.300 1.00 0.00 O ATOM 1351 CB HIS A 87 9.696 4.264 -5.912 1.00 0.00 C ATOM 1352 CG HIS A 87 9.973 5.743 -5.960 1.00 0.00 C ATOM 1353 ND1 HIS A 87 9.350 6.766 -5.287 1.00 0.00 N ATOM 1354 CD2 HIS A 87 10.997 6.296 -6.656 1.00 0.00 C ATOM 1355 CE1 HIS A 87 10.004 7.907 -5.561 1.00 0.00 C ATOM 1356 NE2 HIS A 87 11.031 7.670 -6.392 1.00 0.00 N ATOM 0 H HIS A 87 7.352 4.928 -5.789 1.00 0.00 H new ATOM 0 HA HIS A 87 8.960 4.022 -7.939 1.00 0.00 H new ATOM 0 HB2 HIS A 87 9.357 4.005 -4.909 1.00 0.00 H new ATOM 0 HB3 HIS A 87 10.630 3.728 -6.081 1.00 0.00 H new ATOM 0 HD1 HIS A 87 8.533 6.675 -4.684 1.00 0.00 H new ATOM 0 HD2 HIS A 87 11.675 5.764 -7.307 1.00 0.00 H new ATOM 0 HE1 HIS A 87 9.741 8.878 -5.168 1.00 0.00 H new ATOM 1364 N LEU A 88 7.512 1.695 -6.212 1.00 0.00 N ATOM 1365 CA LEU A 88 7.230 0.273 -6.250 1.00 0.00 C ATOM 1366 C LEU A 88 6.351 -0.046 -7.441 1.00 0.00 C ATOM 1367 O LEU A 88 6.574 -1.055 -8.106 1.00 0.00 O ATOM 1368 CB LEU A 88 6.531 -0.100 -4.953 1.00 0.00 C ATOM 1369 CG LEU A 88 7.456 -0.186 -3.730 1.00 0.00 C ATOM 1370 CD1 LEU A 88 7.324 -1.593 -3.146 1.00 0.00 C ATOM 1371 CD2 LEU A 88 8.957 0.102 -3.885 1.00 0.00 C ATOM 0 H LEU A 88 6.829 2.232 -5.678 1.00 0.00 H new ATOM 0 HA LEU A 88 8.152 -0.299 -6.351 1.00 0.00 H new ATOM 0 HB2 LEU A 88 5.751 0.635 -4.751 1.00 0.00 H new ATOM 0 HB3 LEU A 88 6.036 -1.062 -5.086 1.00 0.00 H new ATOM 0 HG LEU A 88 7.106 0.635 -3.105 1.00 0.00 H new ATOM 0 HD11 LEU A 88 7.970 -1.687 -2.273 1.00 0.00 H new ATOM 0 HD12 LEU A 88 6.289 -1.769 -2.852 1.00 0.00 H new ATOM 0 HD13 LEU A 88 7.618 -2.327 -3.896 1.00 0.00 H new ATOM 0 HD21 LEU A 88 9.450 -0.007 -2.919 1.00 0.00 H new ATOM 0 HD22 LEU A 88 9.391 -0.602 -4.595 1.00 0.00 H new ATOM 0 HD23 LEU A 88 9.096 1.119 -4.251 1.00 0.00 H new ATOM 1383 N LEU A 89 5.344 0.785 -7.698 1.00 0.00 N ATOM 1384 CA LEU A 89 4.324 0.553 -8.705 1.00 0.00 C ATOM 1385 C LEU A 89 4.919 0.668 -10.093 1.00 0.00 C ATOM 1386 O LEU A 89 4.627 -0.134 -10.974 1.00 0.00 O ATOM 1387 CB LEU A 89 3.178 1.556 -8.510 1.00 0.00 C ATOM 1388 CG LEU A 89 1.819 0.889 -8.735 1.00 0.00 C ATOM 1389 CD1 LEU A 89 0.803 1.513 -7.787 1.00 0.00 C ATOM 1390 CD2 LEU A 89 1.283 0.992 -10.144 1.00 0.00 C ATOM 0 H LEU A 89 5.216 1.663 -7.194 1.00 0.00 H new ATOM 0 HA LEU A 89 3.928 -0.457 -8.596 1.00 0.00 H new ATOM 0 HB2 LEU A 89 3.221 1.971 -7.503 1.00 0.00 H new ATOM 0 HB3 LEU A 89 3.297 2.389 -9.203 1.00 0.00 H new ATOM 0 HG LEU A 89 1.974 -0.173 -8.545 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -0.170 1.046 -7.938 1.00 0.00 H new ATOM 0 HD12 LEU A 89 1.124 1.359 -6.757 1.00 0.00 H new ATOM 0 HD13 LEU A 89 0.727 2.582 -7.987 1.00 0.00 H new ATOM 0 HD21 LEU A 89 0.317 0.490 -10.203 1.00 0.00 H new ATOM 0 HD22 LEU A 89 1.164 2.042 -10.412 1.00 0.00 H new ATOM 0 HD23 LEU A 89 1.981 0.518 -10.834 1.00 0.00 H new ATOM 1402 N SER A 90 5.774 1.663 -10.286 1.00 0.00 N ATOM 1403 CA SER A 90 6.314 1.981 -11.582 1.00 0.00 C ATOM 1404 C SER A 90 7.451 1.018 -11.937 1.00 0.00 C ATOM 1405 O SER A 90 7.727 0.838 -13.122 1.00 0.00 O ATOM 1406 CB SER A 90 6.776 3.444 -11.554 1.00 0.00 C ATOM 1407 OG SER A 90 6.966 3.991 -12.837 1.00 0.00 O ATOM 0 H SER A 90 6.108 2.270 -9.538 1.00 0.00 H new ATOM 0 HA SER A 90 5.558 1.864 -12.359 1.00 0.00 H new ATOM 0 HB2 SER A 90 6.038 4.041 -11.017 1.00 0.00 H new ATOM 0 HB3 SER A 90 7.709 3.513 -10.995 1.00 0.00 H new ATOM 0 HG SER A 90 7.258 4.923 -12.755 1.00 0.00 H new ATOM 1413 N THR A 91 8.084 0.374 -10.948 1.00 0.00 N ATOM 1414 CA THR A 91 9.282 -0.440 -11.157 1.00 0.00 C ATOM 1415 C THR A 91 8.971 -1.917 -10.929 1.00 0.00 C ATOM 1416 O THR A 91 9.737 -2.762 -11.378 1.00 0.00 O ATOM 1417 CB THR A 91 10.457 0.037 -10.274 1.00 0.00 C ATOM 1418 OG1 THR A 91 10.422 -0.585 -9.005 1.00 0.00 O ATOM 1419 CG2 THR A 91 10.549 1.563 -10.122 1.00 0.00 C ATOM 0 H THR A 91 7.775 0.405 -9.976 1.00 0.00 H new ATOM 0 HA THR A 91 9.596 -0.317 -12.193 1.00 0.00 H new ATOM 0 HB THR A 91 11.360 -0.268 -10.803 1.00 0.00 H new ATOM 0 HG1 THR A 91 9.574 -0.374 -8.561 1.00 0.00 H new ATOM 0 HG21 THR A 91 11.399 1.815 -9.488 1.00 0.00 H new ATOM 0 HG22 THR A 91 10.680 2.019 -11.103 1.00 0.00 H new ATOM 0 HG23 THR A 91 9.633 1.939 -9.667 1.00 0.00 H new ATOM 1427 N GLN A 92 7.845 -2.238 -10.274 1.00 0.00 N ATOM 1428 CA GLN A 92 7.412 -3.610 -9.988 1.00 0.00 C ATOM 1429 C GLN A 92 8.336 -4.265 -8.954 1.00 0.00 C ATOM 1430 O GLN A 92 8.586 -5.467 -8.986 1.00 0.00 O ATOM 1431 CB GLN A 92 7.236 -4.434 -11.288 1.00 0.00 C ATOM 1432 CG GLN A 92 6.284 -3.774 -12.301 1.00 0.00 C ATOM 1433 CD GLN A 92 4.856 -3.887 -11.792 1.00 0.00 C ATOM 1434 OE1 GLN A 92 4.200 -4.894 -12.029 1.00 0.00 O ATOM 1435 NE2 GLN A 92 4.384 -2.903 -11.050 1.00 0.00 N ATOM 0 H GLN A 92 7.197 -1.533 -9.921 1.00 0.00 H new ATOM 0 HA GLN A 92 6.422 -3.580 -9.533 1.00 0.00 H new ATOM 0 HB2 GLN A 92 8.211 -4.576 -11.755 1.00 0.00 H new ATOM 0 HB3 GLN A 92 6.856 -5.424 -11.034 1.00 0.00 H new ATOM 0 HG2 GLN A 92 6.551 -2.726 -12.440 1.00 0.00 H new ATOM 0 HG3 GLN A 92 6.376 -4.258 -13.273 1.00 0.00 H new ATOM 0 HE21 GLN A 92 4.957 -2.078 -10.872 1.00 0.00 H new ATOM 0 HE22 GLN A 92 3.446 -2.967 -10.654 1.00 0.00 H new ATOM 1444 N GLN A 93 8.873 -3.455 -8.034 1.00 0.00 N ATOM 1445 CA GLN A 93 9.772 -3.958 -7.000 1.00 0.00 C ATOM 1446 C GLN A 93 9.027 -4.901 -6.038 1.00 0.00 C ATOM 1447 O GLN A 93 7.891 -4.602 -5.661 1.00 0.00 O ATOM 1448 CB GLN A 93 10.407 -2.817 -6.195 1.00 0.00 C ATOM 1449 CG GLN A 93 11.837 -2.495 -6.639 1.00 0.00 C ATOM 1450 CD GLN A 93 12.327 -1.225 -5.967 1.00 0.00 C ATOM 1451 OE1 GLN A 93 13.027 -1.258 -4.961 1.00 0.00 O ATOM 1452 NE2 GLN A 93 11.940 -0.091 -6.520 1.00 0.00 N ATOM 0 H GLN A 93 8.698 -2.451 -7.988 1.00 0.00 H new ATOM 0 HA GLN A 93 10.564 -4.507 -7.509 1.00 0.00 H new ATOM 0 HB2 GLN A 93 9.791 -1.923 -6.295 1.00 0.00 H new ATOM 0 HB3 GLN A 93 10.412 -3.084 -5.138 1.00 0.00 H new ATOM 0 HG2 GLN A 93 12.498 -3.325 -6.388 1.00 0.00 H new ATOM 0 HG3 GLN A 93 11.870 -2.377 -7.722 1.00 0.00 H new ATOM 0 HE21 GLN A 93 11.358 -0.105 -7.357 1.00 0.00 H new ATOM 0 HE22 GLN A 93 12.223 0.799 -6.110 1.00 0.00 H new ATOM 1461 N PRO A 94 9.676 -5.980 -5.575 1.00 0.00 N ATOM 1462 CA PRO A 94 9.115 -6.948 -4.645 1.00 0.00 C ATOM 1463 C PRO A 94 9.082 -6.440 -3.200 1.00 0.00 C ATOM 1464 O PRO A 94 10.008 -5.773 -2.740 1.00 0.00 O ATOM 1465 CB PRO A 94 10.021 -8.179 -4.771 1.00 0.00 C ATOM 1466 CG PRO A 94 11.384 -7.578 -5.146 1.00 0.00 C ATOM 1467 CD PRO A 94 11.010 -6.365 -5.996 1.00 0.00 C ATOM 0 HA PRO A 94 8.074 -7.160 -4.887 1.00 0.00 H new ATOM 0 HB2 PRO A 94 10.071 -8.739 -3.837 1.00 0.00 H new ATOM 0 HB3 PRO A 94 9.661 -8.867 -5.536 1.00 0.00 H new ATOM 0 HG2 PRO A 94 11.954 -7.290 -4.262 1.00 0.00 H new ATOM 0 HG3 PRO A 94 11.997 -8.287 -5.703 1.00 0.00 H new ATOM 0 HD2 PRO A 94 11.718 -5.550 -5.846 1.00 0.00 H new ATOM 0 HD3 PRO A 94 11.029 -6.611 -7.058 1.00 0.00 H new ATOM 1475 N LEU A 95 8.071 -6.849 -2.427 1.00 0.00 N ATOM 1476 CA LEU A 95 7.863 -6.373 -1.053 1.00 0.00 C ATOM 1477 C LEU A 95 8.653 -7.117 0.021 1.00 0.00 C ATOM 1478 O LEU A 95 8.880 -6.592 1.111 1.00 0.00 O ATOM 1479 CB LEU A 95 6.396 -6.519 -0.663 1.00 0.00 C ATOM 1480 CG LEU A 95 5.392 -5.685 -1.460 1.00 0.00 C ATOM 1481 CD1 LEU A 95 4.105 -5.706 -0.644 1.00 0.00 C ATOM 1482 CD2 LEU A 95 5.832 -4.243 -1.707 1.00 0.00 C ATOM 0 H LEU A 95 7.370 -7.522 -2.737 1.00 0.00 H new ATOM 0 HA LEU A 95 8.208 -5.339 -1.080 1.00 0.00 H new ATOM 0 HB2 LEU A 95 6.120 -7.569 -0.760 1.00 0.00 H new ATOM 0 HB3 LEU A 95 6.296 -6.259 0.391 1.00 0.00 H new ATOM 0 HG LEU A 95 5.281 -6.113 -2.456 1.00 0.00 H new ATOM 0 HD11 LEU A 95 3.339 -5.125 -1.158 1.00 0.00 H new ATOM 0 HD12 LEU A 95 3.764 -6.735 -0.528 1.00 0.00 H new ATOM 0 HD13 LEU A 95 4.290 -5.273 0.339 1.00 0.00 H new ATOM 0 HD21 LEU A 95 5.064 -3.721 -2.278 1.00 0.00 H new ATOM 0 HD22 LEU A 95 5.979 -3.739 -0.752 1.00 0.00 H new ATOM 0 HD23 LEU A 95 6.767 -4.239 -2.267 1.00 0.00 H new ATOM 1494 N THR A 96 9.012 -8.367 -0.221 1.00 0.00 N ATOM 1495 CA THR A 96 9.873 -9.142 0.661 1.00 0.00 C ATOM 1496 C THR A 96 10.318 -10.360 -0.131 1.00 0.00 C ATOM 1497 O THR A 96 9.522 -10.885 -0.925 1.00 0.00 O ATOM 1498 CB THR A 96 9.142 -9.487 1.990 1.00 0.00 C ATOM 1499 OG1 THR A 96 9.756 -10.527 2.725 1.00 0.00 O ATOM 1500 CG2 THR A 96 7.668 -9.893 1.839 1.00 0.00 C ATOM 0 H THR A 96 8.709 -8.881 -1.048 1.00 0.00 H new ATOM 0 HA THR A 96 10.753 -8.580 0.973 1.00 0.00 H new ATOM 0 HB THR A 96 9.209 -8.536 2.519 1.00 0.00 H new ATOM 0 HG1 THR A 96 9.248 -10.691 3.547 1.00 0.00 H new ATOM 0 HG21 THR A 96 7.249 -10.113 2.821 1.00 0.00 H new ATOM 0 HG22 THR A 96 7.111 -9.076 1.382 1.00 0.00 H new ATOM 0 HG23 THR A 96 7.597 -10.779 1.207 1.00 0.00 H new ATOM 1508 N LYS A 97 11.522 -10.866 0.156 1.00 0.00 N ATOM 1509 CA LYS A 97 12.071 -12.124 -0.359 1.00 0.00 C ATOM 1510 C LYS A 97 11.316 -13.361 0.146 1.00 0.00 C ATOM 1511 O LYS A 97 11.825 -14.484 0.059 1.00 0.00 O ATOM 1512 CB LYS A 97 13.570 -12.241 -0.022 1.00 0.00 C ATOM 1513 CG LYS A 97 14.425 -11.027 -0.416 1.00 0.00 C ATOM 1514 CD LYS A 97 14.484 -10.721 -1.923 1.00 0.00 C ATOM 1515 CE LYS A 97 14.735 -9.222 -2.070 1.00 0.00 C ATOM 1516 NZ LYS A 97 15.056 -8.805 -3.442 1.00 0.00 N ATOM 0 H LYS A 97 12.170 -10.388 0.782 1.00 0.00 H new ATOM 0 HA LYS A 97 11.943 -12.095 -1.441 1.00 0.00 H new ATOM 0 HB2 LYS A 97 13.673 -12.405 1.051 1.00 0.00 H new ATOM 0 HB3 LYS A 97 13.970 -13.124 -0.520 1.00 0.00 H new ATOM 0 HG2 LYS A 97 14.038 -10.149 0.101 1.00 0.00 H new ATOM 0 HG3 LYS A 97 15.441 -11.187 -0.055 1.00 0.00 H new ATOM 0 HD2 LYS A 97 15.279 -11.293 -2.401 1.00 0.00 H new ATOM 0 HD3 LYS A 97 13.551 -11.004 -2.410 1.00 0.00 H new ATOM 0 HE2 LYS A 97 13.851 -8.681 -1.733 1.00 0.00 H new ATOM 0 HE3 LYS A 97 15.555 -8.934 -1.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 14.681 -7.850 -3.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 16.088 -8.800 -3.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 14.626 -9.470 -4.116 1.00 0.00 H new ATOM 1530 N LYS A 98 10.107 -13.175 0.682 1.00 0.00 N ATOM 1531 CA LYS A 98 9.227 -14.244 1.116 1.00 0.00 C ATOM 1532 C LYS A 98 7.978 -14.399 0.280 1.00 0.00 C ATOM 1533 O LYS A 98 7.256 -15.367 0.523 1.00 0.00 O ATOM 1534 CB LYS A 98 8.889 -14.046 2.598 1.00 0.00 C ATOM 1535 CG LYS A 98 10.133 -14.147 3.488 1.00 0.00 C ATOM 1536 CD LYS A 98 10.762 -15.546 3.437 1.00 0.00 C ATOM 1537 CE LYS A 98 12.130 -15.577 4.130 1.00 0.00 C ATOM 1538 NZ LYS A 98 12.069 -15.131 5.538 1.00 0.00 N ATOM 0 H LYS A 98 9.709 -12.247 0.827 1.00 0.00 H new ATOM 0 HA LYS A 98 9.767 -15.180 0.976 1.00 0.00 H new ATOM 0 HB2 LYS A 98 8.422 -13.071 2.736 1.00 0.00 H new ATOM 0 HB3 LYS A 98 8.160 -14.795 2.907 1.00 0.00 H new ATOM 0 HG2 LYS A 98 10.868 -13.407 3.170 1.00 0.00 H new ATOM 0 HG3 LYS A 98 9.864 -13.907 4.517 1.00 0.00 H new ATOM 0 HD2 LYS A 98 10.095 -16.263 3.916 1.00 0.00 H new ATOM 0 HD3 LYS A 98 10.873 -15.858 2.398 1.00 0.00 H new ATOM 0 HE2 LYS A 98 12.529 -16.591 4.092 1.00 0.00 H new ATOM 0 HE3 LYS A 98 12.824 -14.940 3.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 12.998 -15.268 5.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 11.813 -14.124 5.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 11.353 -15.687 6.048 1.00 0.00 H new ATOM 1552 N SER A 99 7.681 -13.510 -0.672 1.00 0.00 N ATOM 1553 CA SER A 99 6.605 -13.803 -1.610 1.00 0.00 C ATOM 1554 C SER A 99 6.684 -13.067 -2.970 1.00 0.00 C ATOM 1555 O SER A 99 5.793 -13.230 -3.807 1.00 0.00 O ATOM 1556 CB SER A 99 5.263 -13.556 -0.885 1.00 0.00 C ATOM 1557 OG SER A 99 4.201 -14.321 -1.415 1.00 0.00 O ATOM 0 H SER A 99 8.152 -12.616 -0.809 1.00 0.00 H new ATOM 0 HA SER A 99 6.704 -14.848 -1.903 1.00 0.00 H new ATOM 0 HB2 SER A 99 5.379 -13.790 0.173 1.00 0.00 H new ATOM 0 HB3 SER A 99 5.010 -12.498 -0.951 1.00 0.00 H new ATOM 0 HG SER A 99 4.244 -14.306 -2.394 1.00 0.00 H new ATOM 1563 N GLY A 100 7.693 -12.220 -3.205 1.00 0.00 N ATOM 1564 CA GLY A 100 7.870 -11.457 -4.440 1.00 0.00 C ATOM 1565 C GLY A 100 6.656 -10.621 -4.857 1.00 0.00 C ATOM 1566 O GLY A 100 6.470 -10.397 -6.055 1.00 0.00 O ATOM 0 H GLY A 100 8.428 -12.044 -2.520 1.00 0.00 H new ATOM 0 HA2 GLY A 100 8.727 -10.794 -4.321 1.00 0.00 H new ATOM 0 HA3 GLY A 100 8.112 -12.149 -5.247 1.00 0.00 H new ATOM 1570 N VAL A 101 5.825 -10.185 -3.907 1.00 0.00 N ATOM 1571 CA VAL A 101 4.629 -9.375 -4.113 1.00 0.00 C ATOM 1572 C VAL A 101 5.007 -8.055 -4.784 1.00 0.00 C ATOM 1573 O VAL A 101 5.950 -7.419 -4.321 1.00 0.00 O ATOM 1574 CB VAL A 101 3.985 -9.143 -2.736 1.00 0.00 C ATOM 1575 CG1 VAL A 101 2.655 -8.411 -2.817 1.00 0.00 C ATOM 1576 CG2 VAL A 101 3.768 -10.423 -1.920 1.00 0.00 C ATOM 0 H VAL A 101 5.980 -10.401 -2.922 1.00 0.00 H new ATOM 0 HA VAL A 101 3.918 -9.879 -4.768 1.00 0.00 H new ATOM 0 HB VAL A 101 4.720 -8.523 -2.223 1.00 0.00 H new ATOM 0 HG11 VAL A 101 2.251 -8.278 -1.813 1.00 0.00 H new ATOM 0 HG12 VAL A 101 2.804 -7.436 -3.281 1.00 0.00 H new ATOM 0 HG13 VAL A 101 1.955 -8.994 -3.415 1.00 0.00 H new ATOM 0 HG21 VAL A 101 3.310 -10.171 -0.963 1.00 0.00 H new ATOM 0 HG22 VAL A 101 3.112 -11.098 -2.470 1.00 0.00 H new ATOM 0 HG23 VAL A 101 4.727 -10.911 -1.746 1.00 0.00 H new ATOM 1586 N VAL A 102 4.262 -7.596 -5.795 1.00 0.00 N ATOM 1587 CA VAL A 102 4.469 -6.288 -6.423 1.00 0.00 C ATOM 1588 C VAL A 102 3.139 -5.519 -6.427 1.00 0.00 C ATOM 1589 O VAL A 102 2.072 -6.126 -6.297 1.00 0.00 O ATOM 1590 CB VAL A 102 5.122 -6.439 -7.818 1.00 0.00 C ATOM 1591 CG1 VAL A 102 6.181 -7.549 -7.874 1.00 0.00 C ATOM 1592 CG2 VAL A 102 4.130 -6.543 -8.982 1.00 0.00 C ATOM 0 H VAL A 102 3.492 -8.126 -6.203 1.00 0.00 H new ATOM 0 HA VAL A 102 5.178 -5.694 -5.846 1.00 0.00 H new ATOM 0 HB VAL A 102 5.640 -5.491 -7.962 1.00 0.00 H new ATOM 0 HG11 VAL A 102 6.599 -7.602 -8.879 1.00 0.00 H new ATOM 0 HG12 VAL A 102 6.976 -7.330 -7.161 1.00 0.00 H new ATOM 0 HG13 VAL A 102 5.721 -8.504 -7.622 1.00 0.00 H new ATOM 0 HG21 VAL A 102 4.678 -6.646 -9.919 1.00 0.00 H new ATOM 0 HG22 VAL A 102 3.490 -7.414 -8.838 1.00 0.00 H new ATOM 0 HG23 VAL A 102 3.516 -5.643 -9.018 1.00 0.00 H new ATOM 1602 N LEU A 103 3.176 -4.189 -6.491 1.00 0.00 N ATOM 1603 CA LEU A 103 2.008 -3.338 -6.648 1.00 0.00 C ATOM 1604 C LEU A 103 1.625 -3.357 -8.122 1.00 0.00 C ATOM 1605 O LEU A 103 2.499 -3.210 -8.973 1.00 0.00 O ATOM 1606 CB LEU A 103 2.343 -1.892 -6.265 1.00 0.00 C ATOM 1607 CG LEU A 103 2.920 -1.660 -4.863 1.00 0.00 C ATOM 1608 CD1 LEU A 103 3.113 -0.163 -4.682 1.00 0.00 C ATOM 1609 CD2 LEU A 103 1.981 -2.117 -3.745 1.00 0.00 C ATOM 0 H LEU A 103 4.048 -3.663 -6.433 1.00 0.00 H new ATOM 0 HA LEU A 103 1.202 -3.699 -6.010 1.00 0.00 H new ATOM 0 HB2 LEU A 103 3.056 -1.505 -6.993 1.00 0.00 H new ATOM 0 HB3 LEU A 103 1.435 -1.297 -6.361 1.00 0.00 H new ATOM 0 HG LEU A 103 3.845 -2.233 -4.794 1.00 0.00 H new ATOM 0 HD11 LEU A 103 3.523 0.034 -3.692 1.00 0.00 H new ATOM 0 HD12 LEU A 103 3.801 0.209 -5.441 1.00 0.00 H new ATOM 0 HD13 LEU A 103 2.153 0.343 -4.784 1.00 0.00 H new ATOM 0 HD21 LEU A 103 2.447 -1.926 -2.778 1.00 0.00 H new ATOM 0 HD22 LEU A 103 1.042 -1.567 -3.811 1.00 0.00 H new ATOM 0 HD23 LEU A 103 1.784 -3.184 -3.849 1.00 0.00 H new ATOM 1621 N HIS A 104 0.337 -3.493 -8.431 1.00 0.00 N ATOM 1622 CA HIS A 104 -0.119 -3.663 -9.812 1.00 0.00 C ATOM 1623 C HIS A 104 -1.441 -2.939 -10.058 1.00 0.00 C ATOM 1624 O HIS A 104 -1.623 -2.348 -11.121 1.00 0.00 O ATOM 1625 CB HIS A 104 -0.283 -5.165 -10.103 1.00 0.00 C ATOM 1626 CG HIS A 104 0.543 -5.747 -11.217 1.00 0.00 C ATOM 1627 ND1 HIS A 104 0.954 -5.104 -12.361 1.00 0.00 N ATOM 1628 CD2 HIS A 104 0.935 -7.057 -11.310 1.00 0.00 C ATOM 1629 CE1 HIS A 104 1.611 -5.999 -13.111 1.00 0.00 C ATOM 1630 NE2 HIS A 104 1.611 -7.214 -12.526 1.00 0.00 N ATOM 0 H HIS A 104 -0.414 -3.489 -7.741 1.00 0.00 H new ATOM 0 HA HIS A 104 0.625 -3.228 -10.480 1.00 0.00 H new ATOM 0 HB2 HIS A 104 -0.051 -5.713 -9.190 1.00 0.00 H new ATOM 0 HB3 HIS A 104 -1.333 -5.352 -10.329 1.00 0.00 H new ATOM 0 HD2 HIS A 104 0.755 -7.829 -10.577 1.00 0.00 H new ATOM 0 HE1 HIS A 104 2.079 -5.777 -14.059 1.00 0.00 H new ATOM 0 HE2 HIS A 104 2.020 -8.073 -12.894 1.00 0.00 H new ATOM 1638 N ARG A 105 -2.378 -2.973 -9.107 1.00 0.00 N ATOM 1639 CA ARG A 105 -3.646 -2.251 -9.189 1.00 0.00 C ATOM 1640 C ARG A 105 -3.952 -1.632 -7.829 1.00 0.00 C ATOM 1641 O ARG A 105 -3.616 -2.220 -6.812 1.00 0.00 O ATOM 1642 CB ARG A 105 -4.760 -3.213 -9.636 1.00 0.00 C ATOM 1643 CG ARG A 105 -6.081 -2.574 -10.052 1.00 0.00 C ATOM 1644 CD ARG A 105 -6.191 -2.379 -11.556 1.00 0.00 C ATOM 1645 NE ARG A 105 -5.695 -1.071 -11.991 1.00 0.00 N ATOM 1646 CZ ARG A 105 -5.994 -0.436 -13.127 1.00 0.00 C ATOM 1647 NH1 ARG A 105 -6.644 -1.029 -14.130 1.00 0.00 N ATOM 1648 NH2 ARG A 105 -5.619 0.836 -13.228 1.00 0.00 N ATOM 0 H ARG A 105 -2.274 -3.511 -8.247 1.00 0.00 H new ATOM 0 HA ARG A 105 -3.582 -1.451 -9.926 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -4.387 -3.802 -10.474 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -4.959 -3.908 -8.820 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -6.906 -3.199 -9.710 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -6.185 -1.609 -9.556 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -5.629 -3.164 -12.063 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -7.233 -2.487 -11.858 1.00 0.00 H new ATOM 0 HE ARG A 105 -5.052 -0.594 -11.358 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -6.932 -2.004 -14.045 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -6.853 -0.508 -14.981 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -5.125 1.285 -12.457 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -5.825 1.363 -14.077 1.00 0.00 H new ATOM 1662 N ALA A 106 -4.556 -0.451 -7.787 1.00 0.00 N ATOM 1663 CA ALA A 106 -4.912 0.231 -6.552 1.00 0.00 C ATOM 1664 C ALA A 106 -6.429 0.281 -6.464 1.00 0.00 C ATOM 1665 O ALA A 106 -7.071 0.778 -7.394 1.00 0.00 O ATOM 1666 CB ALA A 106 -4.325 1.640 -6.570 1.00 0.00 C ATOM 0 H ALA A 106 -4.816 0.068 -8.626 1.00 0.00 H new ATOM 0 HA ALA A 106 -4.514 -0.295 -5.685 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -4.589 2.156 -5.647 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -3.240 1.581 -6.656 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -4.727 2.191 -7.421 1.00 0.00 H new ATOM 1672 N VAL A 107 -7.005 -0.226 -5.378 1.00 0.00 N ATOM 1673 CA VAL A 107 -8.431 -0.098 -5.108 1.00 0.00 C ATOM 1674 C VAL A 107 -8.711 1.385 -4.836 1.00 0.00 C ATOM 1675 O VAL A 107 -8.020 1.977 -4.011 1.00 0.00 O ATOM 1676 CB VAL A 107 -8.829 -0.955 -3.889 1.00 0.00 C ATOM 1677 CG1 VAL A 107 -10.353 -1.014 -3.738 1.00 0.00 C ATOM 1678 CG2 VAL A 107 -8.301 -2.393 -3.980 1.00 0.00 C ATOM 0 H VAL A 107 -6.494 -0.738 -4.659 1.00 0.00 H new ATOM 0 HA VAL A 107 -9.016 -0.450 -5.958 1.00 0.00 H new ATOM 0 HB VAL A 107 -8.377 -0.471 -3.023 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -10.609 -1.624 -2.872 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -10.744 -0.006 -3.601 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -10.791 -1.454 -4.634 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -8.611 -2.951 -3.096 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -8.704 -2.873 -4.872 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -7.213 -2.378 -4.037 1.00 0.00 H new ATOM 1688 N PRO A 108 -9.706 1.997 -5.485 1.00 0.00 N ATOM 1689 CA PRO A 108 -10.222 3.292 -5.085 1.00 0.00 C ATOM 1690 C PRO A 108 -11.185 3.182 -3.900 1.00 0.00 C ATOM 1691 O PRO A 108 -11.957 2.226 -3.807 1.00 0.00 O ATOM 1692 CB PRO A 108 -10.924 3.806 -6.338 1.00 0.00 C ATOM 1693 CG PRO A 108 -11.427 2.526 -7.026 1.00 0.00 C ATOM 1694 CD PRO A 108 -10.553 1.398 -6.495 1.00 0.00 C ATOM 0 HA PRO A 108 -9.437 3.964 -4.739 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -11.747 4.477 -6.089 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -10.241 4.363 -6.979 1.00 0.00 H new ATOM 0 HG2 PRO A 108 -12.478 2.347 -6.798 1.00 0.00 H new ATOM 0 HG3 PRO A 108 -11.345 2.607 -8.110 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -11.161 0.599 -6.071 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -9.957 0.956 -7.293 1.00 0.00 H new ATOM 1702 N SER A 109 -11.248 4.232 -3.082 1.00 0.00 N ATOM 1703 CA SER A 109 -12.194 4.363 -1.974 1.00 0.00 C ATOM 1704 C SER A 109 -12.898 5.734 -1.973 1.00 0.00 C ATOM 1705 O SER A 109 -13.776 5.982 -1.144 1.00 0.00 O ATOM 1706 CB SER A 109 -11.428 4.090 -0.669 1.00 0.00 C ATOM 1707 OG SER A 109 -12.292 3.665 0.372 1.00 0.00 O ATOM 0 H SER A 109 -10.627 5.036 -3.174 1.00 0.00 H new ATOM 0 HA SER A 109 -12.998 3.635 -2.081 1.00 0.00 H new ATOM 0 HB2 SER A 109 -10.670 3.327 -0.846 1.00 0.00 H new ATOM 0 HB3 SER A 109 -10.904 4.994 -0.360 1.00 0.00 H new ATOM 0 HG SER A 109 -11.994 2.795 0.710 1.00 0.00 H new ATOM 1713 N GLY A 110 -12.544 6.640 -2.891 1.00 0.00 N ATOM 1714 CA GLY A 110 -12.727 8.072 -2.694 1.00 0.00 C ATOM 1715 C GLY A 110 -11.595 8.604 -1.807 1.00 0.00 C ATOM 1716 O GLY A 110 -10.841 7.804 -1.251 1.00 0.00 O ATOM 0 H GLY A 110 -12.124 6.396 -3.788 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -12.726 8.587 -3.655 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -13.693 8.267 -2.229 1.00 0.00 H new