USER MOD reduce.3.24.130724 H: found=0, std=0, add=549, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 563 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 63 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 64 THR OG1 : rot 180:sc= 0.0705 USER MOD Set 2.1: A 52 THR OG1 : rot -144:sc= 0.659 USER MOD Set 2.2: A 71 TYR OH : rot 80:sc= 0.323 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= -0.609 K(o=-0.61,f=-1.4) USER MOD Single : A 14 GLN : amide:sc= -3.16! C(o=-3.2!,f=-4.8!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= -0.173 K(o=-0.17,f=-0.96) USER MOD Single : A 23 THR OG1 : rot 180:sc= -3.86! USER MOD Single : A 24 ASN : amide:sc= -0.0652 K(o=-0.065,f=-4.3!) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0.17) USER MOD Single : A 27 SER OG : rot 180:sc= -0.0987 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 66:sc= 0.295 USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= -2.77 K(o=-2.8,f=-4.8!) USER MOD Single : A 73 ASN :FLIP amide:sc= -0.493 F(o=-1.2,f=-0.49) USER MOD Single : A 75 HIS : no HD1:sc= -0.187 X(o=-0.19,f=-0.23) USER MOD ----------------------------------------------------------------- ATOM 26 N ILE A 3 -2.516 -9.992 -5.981 1.00 0.00 N ATOM 27 CA ILE A 3 -1.849 -9.245 -4.929 1.00 0.00 C ATOM 28 C ILE A 3 -2.375 -7.808 -4.917 1.00 0.00 C ATOM 29 O ILE A 3 -2.713 -7.275 -3.861 1.00 0.00 O ATOM 30 CB ILE A 3 -0.330 -9.342 -5.083 1.00 0.00 C ATOM 31 CG1 ILE A 3 0.363 -9.318 -3.719 1.00 0.00 C ATOM 32 CG2 ILE A 3 0.198 -8.247 -6.013 1.00 0.00 C ATOM 33 CD1 ILE A 3 0.057 -8.018 -2.972 1.00 0.00 C ATOM 0 HA ILE A 3 -2.076 -9.676 -3.954 1.00 0.00 H new ATOM 0 HB ILE A 3 -0.095 -10.300 -5.547 1.00 0.00 H new ATOM 0 HG12 ILE A 3 0.033 -10.170 -3.124 1.00 0.00 H new ATOM 0 HG13 ILE A 3 1.440 -9.420 -3.852 1.00 0.00 H new ATOM 0 HG21 ILE A 3 1.280 -8.339 -6.105 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -0.260 -8.353 -6.996 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -0.049 -7.269 -5.601 1.00 0.00 H new ATOM 0 HD11 ILE A 3 0.561 -8.026 -2.006 1.00 0.00 H new ATOM 0 HD12 ILE A 3 0.410 -7.170 -3.558 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -1.019 -7.931 -2.819 1.00 0.00 H new ATOM 45 N GLU A 4 -2.429 -7.222 -6.104 1.00 0.00 N ATOM 46 CA GLU A 4 -2.909 -5.858 -6.244 1.00 0.00 C ATOM 47 C GLU A 4 -4.398 -5.780 -5.897 1.00 0.00 C ATOM 48 O GLU A 4 -4.832 -4.856 -5.211 1.00 0.00 O ATOM 49 CB GLU A 4 -2.646 -5.325 -7.654 1.00 0.00 C ATOM 50 CG GLU A 4 -3.646 -5.907 -8.655 1.00 0.00 C ATOM 51 CD GLU A 4 -3.297 -5.488 -10.085 1.00 0.00 C ATOM 52 OE1 GLU A 4 -2.111 -5.411 -10.436 1.00 0.00 O ATOM 53 OE2 GLU A 4 -4.311 -5.239 -10.842 1.00 0.00 O ATOM 0 H GLU A 4 -2.148 -7.667 -6.978 1.00 0.00 H new ATOM 0 HA GLU A 4 -2.360 -5.228 -5.545 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -2.717 -4.237 -7.655 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -1.631 -5.579 -7.959 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -3.649 -6.994 -8.581 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -4.652 -5.568 -8.408 1.00 0.00 H new ATOM 61 N GLU A 5 -5.139 -6.763 -6.388 1.00 0.00 N ATOM 62 CA GLU A 5 -6.569 -6.818 -6.139 1.00 0.00 C ATOM 63 C GLU A 5 -6.853 -6.673 -4.643 1.00 0.00 C ATOM 64 O GLU A 5 -7.958 -6.301 -4.251 1.00 0.00 O ATOM 65 CB GLU A 5 -7.172 -8.112 -6.689 1.00 0.00 C ATOM 66 CG GLU A 5 -6.237 -9.298 -6.447 1.00 0.00 C ATOM 67 CD GLU A 5 -7.012 -10.618 -6.457 1.00 0.00 C ATOM 68 OE1 GLU A 5 -7.303 -11.157 -7.535 1.00 0.00 O ATOM 69 OE2 GLU A 5 -7.312 -11.083 -5.292 1.00 0.00 O ATOM 0 H GLU A 5 -4.775 -7.527 -6.957 1.00 0.00 H new ATOM 0 HA GLU A 5 -7.041 -5.986 -6.661 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -8.134 -8.300 -6.213 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -7.360 -8.005 -7.757 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -5.465 -9.320 -7.216 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -5.730 -9.177 -5.490 1.00 0.00 H new ATOM 77 N ARG A 6 -5.837 -6.974 -3.848 1.00 0.00 N ATOM 78 CA ARG A 6 -5.964 -6.881 -2.404 1.00 0.00 C ATOM 79 C ARG A 6 -5.272 -5.617 -1.890 1.00 0.00 C ATOM 80 O ARG A 6 -5.713 -5.019 -0.910 1.00 0.00 O ATOM 81 CB ARG A 6 -5.351 -8.104 -1.718 1.00 0.00 C ATOM 82 CG ARG A 6 -6.106 -9.380 -2.096 1.00 0.00 C ATOM 83 CD ARG A 6 -5.144 -10.559 -2.259 1.00 0.00 C ATOM 84 NE ARG A 6 -4.426 -10.805 -0.989 1.00 0.00 N ATOM 85 CZ ARG A 6 -4.979 -11.397 0.091 1.00 0.00 C ATOM 86 NH1 ARG A 6 -6.264 -11.809 0.063 1.00 0.00 N ATOM 87 NH2 ARG A 6 -4.244 -11.567 1.174 1.00 0.00 N ATOM 0 H ARG A 6 -4.922 -7.283 -4.177 1.00 0.00 H new ATOM 0 HA ARG A 6 -7.027 -6.839 -2.167 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -4.303 -8.199 -2.004 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -5.376 -7.969 -0.637 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -6.844 -9.611 -1.328 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -6.653 -9.221 -3.025 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -5.696 -11.452 -2.553 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -4.430 -10.349 -3.055 1.00 0.00 H new ATOM 0 HE ARG A 6 -3.452 -10.509 -0.925 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -6.825 -11.674 -0.778 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -6.674 -12.255 0.883 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -3.274 -11.253 1.186 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -4.646 -12.012 1.999 1.00 0.00 H new ATOM 100 N VAL A 7 -4.199 -5.248 -2.574 1.00 0.00 N ATOM 101 CA VAL A 7 -3.442 -4.066 -2.199 1.00 0.00 C ATOM 102 C VAL A 7 -4.390 -2.869 -2.098 1.00 0.00 C ATOM 103 O VAL A 7 -4.423 -2.184 -1.078 1.00 0.00 O ATOM 104 CB VAL A 7 -2.298 -3.841 -3.190 1.00 0.00 C ATOM 105 CG1 VAL A 7 -1.652 -2.470 -2.980 1.00 0.00 C ATOM 106 CG2 VAL A 7 -1.258 -4.959 -3.090 1.00 0.00 C ATOM 0 H VAL A 7 -3.836 -5.747 -3.386 1.00 0.00 H new ATOM 0 HA VAL A 7 -2.984 -4.201 -1.219 1.00 0.00 H new ATOM 0 HB VAL A 7 -2.717 -3.863 -4.196 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -0.842 -2.336 -3.697 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -2.399 -1.690 -3.126 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -1.254 -2.407 -1.967 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -0.456 -4.775 -3.805 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -0.846 -4.984 -2.081 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -1.730 -5.916 -3.313 1.00 0.00 H new ATOM 116 N LYS A 8 -5.137 -2.655 -3.171 1.00 0.00 N ATOM 117 CA LYS A 8 -6.083 -1.553 -3.216 1.00 0.00 C ATOM 118 C LYS A 8 -6.882 -1.519 -1.912 1.00 0.00 C ATOM 119 O LYS A 8 -7.102 -0.451 -1.343 1.00 0.00 O ATOM 120 CB LYS A 8 -6.956 -1.648 -4.469 1.00 0.00 C ATOM 121 CG LYS A 8 -6.446 -0.709 -5.565 1.00 0.00 C ATOM 122 CD LYS A 8 -5.105 -1.192 -6.120 1.00 0.00 C ATOM 123 CE LYS A 8 -5.223 -1.551 -7.603 1.00 0.00 C ATOM 124 NZ LYS A 8 -4.029 -1.087 -8.345 1.00 0.00 N ATOM 0 H LYS A 8 -5.106 -3.226 -4.016 1.00 0.00 H new ATOM 0 HA LYS A 8 -5.556 -0.602 -3.293 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -6.960 -2.674 -4.837 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -7.986 -1.395 -4.219 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -7.178 -0.653 -6.371 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -6.336 0.298 -5.164 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -4.352 -0.415 -5.989 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -4.766 -2.062 -5.557 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -5.331 -2.630 -7.715 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -6.120 -1.095 -8.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -4.125 -1.338 -9.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -3.943 -0.055 -8.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -3.179 -1.541 -7.954 1.00 0.00 H new ATOM 137 N LYS A 9 -7.295 -2.700 -1.476 1.00 0.00 N ATOM 138 CA LYS A 9 -8.064 -2.818 -0.249 1.00 0.00 C ATOM 139 C LYS A 9 -7.219 -2.325 0.927 1.00 0.00 C ATOM 140 O LYS A 9 -7.686 -1.531 1.742 1.00 0.00 O ATOM 141 CB LYS A 9 -8.583 -4.248 -0.078 1.00 0.00 C ATOM 142 CG LYS A 9 -9.936 -4.426 -0.769 1.00 0.00 C ATOM 143 CD LYS A 9 -9.890 -5.578 -1.775 1.00 0.00 C ATOM 144 CE LYS A 9 -11.290 -5.904 -2.299 1.00 0.00 C ATOM 145 NZ LYS A 9 -11.563 -7.354 -2.178 1.00 0.00 N ATOM 0 H LYS A 9 -7.111 -3.584 -1.951 1.00 0.00 H new ATOM 0 HA LYS A 9 -8.950 -2.185 -0.292 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -7.863 -4.952 -0.494 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -8.679 -4.479 0.983 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -10.707 -4.620 -0.023 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -10.212 -3.503 -1.280 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -9.239 -5.313 -2.608 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -9.460 -6.461 -1.303 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -12.035 -5.339 -1.739 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -11.375 -5.597 -3.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -12.517 -7.559 -2.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -10.862 -7.887 -2.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -11.502 -7.637 -1.179 1.00 0.00 H new ATOM 158 N ILE A 10 -5.990 -2.817 0.978 1.00 0.00 N ATOM 159 CA ILE A 10 -5.075 -2.437 2.042 1.00 0.00 C ATOM 160 C ILE A 10 -5.019 -0.911 2.138 1.00 0.00 C ATOM 161 O ILE A 10 -5.193 -0.347 3.218 1.00 0.00 O ATOM 162 CB ILE A 10 -3.708 -3.090 1.832 1.00 0.00 C ATOM 163 CG1 ILE A 10 -3.763 -4.588 2.137 1.00 0.00 C ATOM 164 CG2 ILE A 10 -2.629 -2.378 2.650 1.00 0.00 C ATOM 165 CD1 ILE A 10 -2.477 -5.287 1.690 1.00 0.00 C ATOM 0 H ILE A 10 -5.606 -3.475 0.300 1.00 0.00 H new ATOM 0 HA ILE A 10 -5.434 -2.805 3.003 1.00 0.00 H new ATOM 0 HB ILE A 10 -3.437 -2.985 0.781 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -3.911 -4.740 3.206 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -4.619 -5.035 1.631 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -1.667 -2.862 2.483 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -2.568 -1.334 2.342 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -2.882 -2.430 3.709 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -2.543 -6.351 1.919 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -2.345 -5.154 0.616 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -1.626 -4.855 2.216 1.00 0.00 H new ATOM 177 N ILE A 11 -4.776 -0.286 0.996 1.00 0.00 N ATOM 178 CA ILE A 11 -4.695 1.164 0.938 1.00 0.00 C ATOM 179 C ILE A 11 -6.099 1.755 1.087 1.00 0.00 C ATOM 180 O ILE A 11 -6.256 2.880 1.560 1.00 0.00 O ATOM 181 CB ILE A 11 -3.971 1.610 -0.334 1.00 0.00 C ATOM 182 CG1 ILE A 11 -2.672 0.826 -0.529 1.00 0.00 C ATOM 183 CG2 ILE A 11 -3.733 3.122 -0.327 1.00 0.00 C ATOM 184 CD1 ILE A 11 -1.668 1.143 0.581 1.00 0.00 C ATOM 0 H ILE A 11 -4.632 -0.757 0.103 1.00 0.00 H new ATOM 0 HA ILE A 11 -4.098 1.546 1.766 1.00 0.00 H new ATOM 0 HB ILE A 11 -4.611 1.388 -1.188 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -2.886 -0.243 -0.536 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -2.237 1.071 -1.498 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -3.217 3.413 -1.242 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -4.690 3.641 -0.269 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -3.122 3.390 0.535 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -0.754 0.572 0.418 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -1.438 2.208 0.570 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -2.096 0.874 1.547 1.00 0.00 H new ATOM 196 N GLY A 12 -7.083 0.971 0.673 1.00 0.00 N ATOM 197 CA GLY A 12 -8.468 1.403 0.754 1.00 0.00 C ATOM 198 C GLY A 12 -8.967 1.376 2.200 1.00 0.00 C ATOM 199 O GLY A 12 -9.893 2.104 2.555 1.00 0.00 O ATOM 0 H GLY A 12 -6.949 0.039 0.280 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -8.562 2.412 0.352 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -9.091 0.755 0.138 1.00 0.00 H new ATOM 203 N GLN A 13 -8.333 0.528 2.996 1.00 0.00 N ATOM 204 CA GLN A 13 -8.701 0.396 4.395 1.00 0.00 C ATOM 205 C GLN A 13 -7.675 1.104 5.283 1.00 0.00 C ATOM 206 O GLN A 13 -8.030 1.974 6.076 1.00 0.00 O ATOM 207 CB GLN A 13 -8.844 -1.076 4.788 1.00 0.00 C ATOM 208 CG GLN A 13 -10.304 -1.426 5.080 1.00 0.00 C ATOM 209 CD GLN A 13 -10.843 -0.602 6.251 1.00 0.00 C ATOM 210 OE1 GLN A 13 -11.353 0.494 6.089 1.00 0.00 O ATOM 211 NE2 GLN A 13 -10.700 -1.188 7.436 1.00 0.00 N ATOM 0 H GLN A 13 -7.566 -0.075 2.698 1.00 0.00 H new ATOM 0 HA GLN A 13 -9.670 0.873 4.542 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -8.468 -1.709 3.984 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -8.234 -1.282 5.667 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -10.910 -1.243 4.193 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -10.388 -2.488 5.309 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -10.264 -2.108 7.501 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -11.027 -0.718 8.280 1.00 0.00 H new ATOM 220 N GLN A 14 -6.422 0.704 5.119 1.00 0.00 N ATOM 221 CA GLN A 14 -5.342 1.289 5.895 1.00 0.00 C ATOM 222 C GLN A 14 -5.455 2.815 5.895 1.00 0.00 C ATOM 223 O GLN A 14 -5.676 3.424 6.941 1.00 0.00 O ATOM 224 CB GLN A 14 -3.979 0.840 5.364 1.00 0.00 C ATOM 225 CG GLN A 14 -3.755 -0.652 5.621 1.00 0.00 C ATOM 226 CD GLN A 14 -3.872 -0.975 7.112 1.00 0.00 C ATOM 227 OE1 GLN A 14 -4.951 -1.051 7.675 1.00 0.00 O ATOM 228 NE2 GLN A 14 -2.702 -1.161 7.718 1.00 0.00 N ATOM 0 H GLN A 14 -6.131 -0.018 4.460 1.00 0.00 H new ATOM 0 HA GLN A 14 -5.428 0.938 6.923 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -3.917 1.042 4.295 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -3.189 1.418 5.844 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -4.486 -1.235 5.061 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -2.769 -0.943 5.258 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -1.835 -1.083 7.187 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -2.673 -1.382 8.713 1.00 0.00 H new ATOM 237 N LEU A 15 -5.298 3.388 4.711 1.00 0.00 N ATOM 238 CA LEU A 15 -5.379 4.831 4.562 1.00 0.00 C ATOM 239 C LEU A 15 -6.765 5.307 5.000 1.00 0.00 C ATOM 240 O LEU A 15 -6.886 6.287 5.733 1.00 0.00 O ATOM 241 CB LEU A 15 -5.009 5.244 3.136 1.00 0.00 C ATOM 242 CG LEU A 15 -3.775 4.563 2.539 1.00 0.00 C ATOM 243 CD1 LEU A 15 -3.048 5.497 1.571 1.00 0.00 C ATOM 244 CD2 LEU A 15 -2.849 4.044 3.641 1.00 0.00 C ATOM 0 H LEU A 15 -5.115 2.879 3.846 1.00 0.00 H new ATOM 0 HA LEU A 15 -4.653 5.322 5.210 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -5.861 5.041 2.487 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -4.847 6.322 3.121 1.00 0.00 H new ATOM 0 HG LEU A 15 -4.106 3.699 1.963 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.175 4.989 1.161 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.720 5.775 0.759 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.729 6.394 2.101 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.980 3.565 3.190 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.522 4.877 4.263 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.385 3.320 4.255 1.00 0.00 H new ATOM 256 N GLY A 16 -7.777 4.592 4.531 1.00 0.00 N ATOM 257 CA GLY A 16 -9.151 4.929 4.865 1.00 0.00 C ATOM 258 C GLY A 16 -9.822 5.692 3.721 1.00 0.00 C ATOM 259 O GLY A 16 -10.368 6.774 3.928 1.00 0.00 O ATOM 0 H GLY A 16 -7.673 3.780 3.922 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -9.711 4.018 5.077 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -9.171 5.534 5.771 1.00 0.00 H new ATOM 263 N VAL A 17 -9.758 5.097 2.539 1.00 0.00 N ATOM 264 CA VAL A 17 -10.353 5.706 1.361 1.00 0.00 C ATOM 265 C VAL A 17 -11.210 4.669 0.633 1.00 0.00 C ATOM 266 O VAL A 17 -11.419 3.567 1.137 1.00 0.00 O ATOM 267 CB VAL A 17 -9.260 6.307 0.475 1.00 0.00 C ATOM 268 CG1 VAL A 17 -8.908 7.727 0.925 1.00 0.00 C ATOM 269 CG2 VAL A 17 -8.018 5.415 0.454 1.00 0.00 C ATOM 0 H VAL A 17 -9.303 4.199 2.372 1.00 0.00 H new ATOM 0 HA VAL A 17 -11.010 6.527 1.646 1.00 0.00 H new ATOM 0 HB VAL A 17 -9.648 6.364 -0.542 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -8.129 8.131 0.279 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -9.794 8.359 0.863 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -8.550 7.704 1.954 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -7.257 5.866 -0.183 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -7.628 5.310 1.466 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -8.282 4.432 0.064 1.00 0.00 H new ATOM 279 N LYS A 18 -11.684 5.059 -0.541 1.00 0.00 N ATOM 280 CA LYS A 18 -12.514 4.177 -1.343 1.00 0.00 C ATOM 281 C LYS A 18 -11.619 3.230 -2.145 1.00 0.00 C ATOM 282 O LYS A 18 -10.394 3.313 -2.065 1.00 0.00 O ATOM 283 CB LYS A 18 -13.480 4.990 -2.209 1.00 0.00 C ATOM 284 CG LYS A 18 -14.626 5.555 -1.368 1.00 0.00 C ATOM 285 CD LYS A 18 -14.224 6.877 -0.711 1.00 0.00 C ATOM 286 CE LYS A 18 -14.485 8.058 -1.649 1.00 0.00 C ATOM 287 NZ LYS A 18 -13.948 9.309 -1.068 1.00 0.00 N ATOM 0 H LYS A 18 -11.509 5.974 -0.956 1.00 0.00 H new ATOM 0 HA LYS A 18 -13.141 3.558 -0.702 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -12.942 5.806 -2.692 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -13.882 4.359 -3.002 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -15.502 5.709 -1.998 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -14.908 4.834 -0.600 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -14.784 7.012 0.214 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -13.168 6.848 -0.443 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -14.020 7.871 -2.617 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -15.556 8.162 -1.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -14.133 10.101 -1.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -14.410 9.494 -0.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -12.923 9.213 -0.924 1.00 0.00 H new ATOM 300 N GLN A 19 -12.264 2.352 -2.898 1.00 0.00 N ATOM 301 CA GLN A 19 -11.541 1.391 -3.713 1.00 0.00 C ATOM 302 C GLN A 19 -11.554 1.823 -5.181 1.00 0.00 C ATOM 303 O GLN A 19 -11.054 1.107 -6.047 1.00 0.00 O ATOM 304 CB GLN A 19 -12.125 -0.014 -3.551 1.00 0.00 C ATOM 305 CG GLN A 19 -13.563 -0.074 -4.070 1.00 0.00 C ATOM 306 CD GLN A 19 -14.515 -0.588 -2.988 1.00 0.00 C ATOM 307 OE1 GLN A 19 -14.329 -0.365 -1.804 1.00 0.00 O ATOM 308 NE2 GLN A 19 -15.543 -1.288 -3.461 1.00 0.00 N ATOM 0 H GLN A 19 -13.280 2.286 -2.961 1.00 0.00 H new ATOM 0 HA GLN A 19 -10.506 1.361 -3.372 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -11.509 -0.732 -4.092 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -12.102 -0.302 -2.500 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -13.878 0.918 -4.395 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -13.612 -0.726 -4.942 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -15.639 -1.438 -4.465 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -16.235 -1.675 -2.819 1.00 0.00 H new ATOM 317 N GLU A 20 -12.130 2.993 -5.415 1.00 0.00 N ATOM 318 CA GLU A 20 -12.214 3.530 -6.763 1.00 0.00 C ATOM 319 C GLU A 20 -11.339 4.778 -6.893 1.00 0.00 C ATOM 320 O GLU A 20 -10.785 5.044 -7.958 1.00 0.00 O ATOM 321 CB GLU A 20 -13.665 3.834 -7.142 1.00 0.00 C ATOM 322 CG GLU A 20 -14.069 3.082 -8.412 1.00 0.00 C ATOM 323 CD GLU A 20 -15.573 3.203 -8.665 1.00 0.00 C ATOM 324 OE1 GLU A 20 -16.185 4.216 -8.295 1.00 0.00 O ATOM 325 OE2 GLU A 20 -16.106 2.197 -9.272 1.00 0.00 O ATOM 0 H GLU A 20 -12.543 3.584 -4.694 1.00 0.00 H new ATOM 0 HA GLU A 20 -11.842 2.777 -7.458 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -14.326 3.552 -6.322 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -13.788 4.906 -7.295 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -13.520 3.480 -9.265 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -13.795 2.031 -8.319 1.00 0.00 H new ATOM 333 N GLU A 21 -11.244 5.512 -5.793 1.00 0.00 N ATOM 334 CA GLU A 21 -10.446 6.726 -5.771 1.00 0.00 C ATOM 335 C GLU A 21 -8.983 6.395 -5.470 1.00 0.00 C ATOM 336 O GLU A 21 -8.161 7.294 -5.303 1.00 0.00 O ATOM 337 CB GLU A 21 -11.001 7.728 -4.756 1.00 0.00 C ATOM 338 CG GLU A 21 -12.264 8.406 -5.289 1.00 0.00 C ATOM 339 CD GLU A 21 -12.044 9.909 -5.471 1.00 0.00 C ATOM 340 OE1 GLU A 21 -12.073 10.663 -4.487 1.00 0.00 O ATOM 341 OE2 GLU A 21 -11.837 10.287 -6.687 1.00 0.00 O ATOM 0 H GLU A 21 -11.706 5.289 -4.912 1.00 0.00 H new ATOM 0 HA GLU A 21 -10.498 7.189 -6.756 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -11.226 7.216 -3.820 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -10.246 8.482 -4.533 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -12.547 7.958 -6.242 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -13.091 8.237 -4.599 1.00 0.00 H new ATOM 349 N VAL A 22 -8.702 5.101 -5.412 1.00 0.00 N ATOM 350 CA VAL A 22 -7.353 4.640 -5.135 1.00 0.00 C ATOM 351 C VAL A 22 -6.797 3.930 -6.371 1.00 0.00 C ATOM 352 O VAL A 22 -6.710 2.703 -6.400 1.00 0.00 O ATOM 353 CB VAL A 22 -7.348 3.757 -3.885 1.00 0.00 C ATOM 354 CG1 VAL A 22 -5.995 3.064 -3.709 1.00 0.00 C ATOM 355 CG2 VAL A 22 -7.716 4.566 -2.640 1.00 0.00 C ATOM 0 H VAL A 22 -9.386 4.358 -5.552 1.00 0.00 H new ATOM 0 HA VAL A 22 -6.697 5.484 -4.923 1.00 0.00 H new ATOM 0 HB VAL A 22 -8.105 2.985 -4.018 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -6.018 2.443 -2.814 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -5.790 2.440 -4.579 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -5.212 3.815 -3.609 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -7.705 3.914 -1.766 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -6.993 5.370 -2.502 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -8.712 4.991 -2.763 1.00 0.00 H new ATOM 365 N THR A 23 -6.436 4.731 -7.362 1.00 0.00 N ATOM 366 CA THR A 23 -5.891 4.195 -8.598 1.00 0.00 C ATOM 367 C THR A 23 -4.423 3.806 -8.409 1.00 0.00 C ATOM 368 O THR A 23 -3.847 4.040 -7.348 1.00 0.00 O ATOM 369 CB THR A 23 -6.108 5.233 -9.700 1.00 0.00 C ATOM 370 OG1 THR A 23 -5.255 6.314 -9.332 1.00 0.00 O ATOM 371 CG2 THR A 23 -7.513 5.839 -9.666 1.00 0.00 C ATOM 0 H THR A 23 -6.510 5.748 -7.335 1.00 0.00 H new ATOM 0 HA THR A 23 -6.402 3.278 -8.891 1.00 0.00 H new ATOM 0 HB THR A 23 -5.935 4.771 -10.672 1.00 0.00 H new ATOM 0 HG1 THR A 23 -5.332 7.032 -9.995 1.00 0.00 H new ATOM 0 HG21 THR A 23 -7.614 6.569 -10.469 1.00 0.00 H new ATOM 0 HG22 THR A 23 -8.253 5.050 -9.798 1.00 0.00 H new ATOM 0 HG23 THR A 23 -7.674 6.330 -8.706 1.00 0.00 H new ATOM 379 N ASN A 24 -3.861 3.219 -9.455 1.00 0.00 N ATOM 380 CA ASN A 24 -2.471 2.795 -9.418 1.00 0.00 C ATOM 381 C ASN A 24 -1.571 4.026 -9.286 1.00 0.00 C ATOM 382 O ASN A 24 -0.620 4.022 -8.506 1.00 0.00 O ATOM 383 CB ASN A 24 -2.084 2.063 -10.704 1.00 0.00 C ATOM 384 CG ASN A 24 -2.571 2.826 -11.938 1.00 0.00 C ATOM 385 OD1 ASN A 24 -3.757 3.000 -12.165 1.00 0.00 O ATOM 386 ND2 ASN A 24 -1.591 3.271 -12.719 1.00 0.00 N ATOM 0 H ASN A 24 -4.342 3.027 -10.333 1.00 0.00 H new ATOM 0 HA ASN A 24 -2.346 2.123 -8.569 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -1.001 1.946 -10.748 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -2.513 1.061 -10.699 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -1.812 3.793 -13.567 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -0.619 3.090 -12.470 1.00 0.00 H new ATOM 393 N ASN A 25 -1.904 5.049 -10.059 1.00 0.00 N ATOM 394 CA ASN A 25 -1.138 6.283 -10.038 1.00 0.00 C ATOM 395 C ASN A 25 -1.863 7.314 -9.171 1.00 0.00 C ATOM 396 O ASN A 25 -2.086 8.445 -9.601 1.00 0.00 O ATOM 397 CB ASN A 25 -0.994 6.866 -11.445 1.00 0.00 C ATOM 398 CG ASN A 25 0.329 7.620 -11.594 1.00 0.00 C ATOM 399 OD1 ASN A 25 0.533 8.685 -11.036 1.00 0.00 O ATOM 400 ND2 ASN A 25 1.215 7.008 -12.375 1.00 0.00 N ATOM 0 H ASN A 25 -2.694 5.048 -10.704 1.00 0.00 H new ATOM 0 HA ASN A 25 -0.149 6.059 -9.638 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -1.044 6.064 -12.182 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -1.826 7.540 -11.650 1.00 0.00 H new ATOM 0 HD21 ASN A 25 2.130 7.430 -12.537 1.00 0.00 H new ATOM 0 HD22 ASN A 25 0.980 6.117 -12.812 1.00 0.00 H new ATOM 407 N ALA A 26 -2.211 6.887 -7.966 1.00 0.00 N ATOM 408 CA ALA A 26 -2.906 7.759 -7.035 1.00 0.00 C ATOM 409 C ALA A 26 -2.094 7.869 -5.743 1.00 0.00 C ATOM 410 O ALA A 26 -2.207 7.020 -4.860 1.00 0.00 O ATOM 411 CB ALA A 26 -4.319 7.223 -6.792 1.00 0.00 C ATOM 0 H ALA A 26 -2.024 5.948 -7.613 1.00 0.00 H new ATOM 0 HA ALA A 26 -3.004 8.763 -7.449 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -4.841 7.877 -6.093 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -4.864 7.192 -7.736 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -4.260 6.218 -6.374 1.00 0.00 H new ATOM 417 N SER A 27 -1.294 8.923 -5.673 1.00 0.00 N ATOM 418 CA SER A 27 -0.463 9.155 -4.504 1.00 0.00 C ATOM 419 C SER A 27 -1.324 9.651 -3.340 1.00 0.00 C ATOM 420 O SER A 27 -1.335 10.842 -3.034 1.00 0.00 O ATOM 421 CB SER A 27 0.647 10.162 -4.808 1.00 0.00 C ATOM 422 OG SER A 27 1.008 10.159 -6.187 1.00 0.00 O ATOM 0 H SER A 27 -1.204 9.626 -6.407 1.00 0.00 H new ATOM 0 HA SER A 27 0.006 8.211 -4.226 1.00 0.00 H new ATOM 0 HB2 SER A 27 0.319 11.161 -4.521 1.00 0.00 H new ATOM 0 HB3 SER A 27 1.523 9.929 -4.203 1.00 0.00 H new ATOM 0 HG SER A 27 1.718 10.816 -6.341 1.00 0.00 H new ATOM 428 N PHE A 28 -2.027 8.711 -2.723 1.00 0.00 N ATOM 429 CA PHE A 28 -2.889 9.038 -1.600 1.00 0.00 C ATOM 430 C PHE A 28 -2.232 10.077 -0.689 1.00 0.00 C ATOM 431 O PHE A 28 -2.909 10.951 -0.150 1.00 0.00 O ATOM 432 CB PHE A 28 -3.102 7.745 -0.810 1.00 0.00 C ATOM 433 CG PHE A 28 -1.837 6.901 -0.644 1.00 0.00 C ATOM 434 CD1 PHE A 28 -0.955 7.187 0.351 1.00 0.00 C ATOM 435 CD2 PHE A 28 -1.594 5.865 -1.491 1.00 0.00 C ATOM 436 CE1 PHE A 28 0.220 6.404 0.505 1.00 0.00 C ATOM 437 CE2 PHE A 28 -0.420 5.082 -1.337 1.00 0.00 C ATOM 438 CZ PHE A 28 0.462 5.368 -0.343 1.00 0.00 C ATOM 0 H PHE A 28 -2.017 7.724 -2.980 1.00 0.00 H new ATOM 0 HA PHE A 28 -3.830 9.454 -1.961 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -3.492 7.994 0.177 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -3.863 7.146 -1.311 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -1.148 8.009 1.024 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -2.294 5.638 -2.281 1.00 0.00 H new ATOM 0 HE1 PHE A 28 0.921 6.631 1.295 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -0.228 4.259 -2.010 1.00 0.00 H new ATOM 0 HZ PHE A 28 1.355 4.772 -0.226 1.00 0.00 H new ATOM 448 N VAL A 29 -0.922 9.946 -0.544 1.00 0.00 N ATOM 449 CA VAL A 29 -0.167 10.862 0.293 1.00 0.00 C ATOM 450 C VAL A 29 -0.730 12.275 0.133 1.00 0.00 C ATOM 451 O VAL A 29 -1.344 12.811 1.054 1.00 0.00 O ATOM 452 CB VAL A 29 1.323 10.771 -0.043 1.00 0.00 C ATOM 453 CG1 VAL A 29 2.030 9.764 0.867 1.00 0.00 C ATOM 454 CG2 VAL A 29 1.532 10.419 -1.517 1.00 0.00 C ATOM 0 H VAL A 29 -0.364 9.219 -0.992 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.267 10.589 1.344 1.00 0.00 H new ATOM 0 HB VAL A 29 1.767 11.751 0.134 1.00 0.00 H new ATOM 0 HG11 VAL A 29 3.088 9.719 0.607 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.925 10.076 1.906 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.582 8.779 0.737 1.00 0.00 H new ATOM 0 HG21 VAL A 29 2.600 10.361 -1.729 1.00 0.00 H new ATOM 0 HG22 VAL A 29 1.066 9.457 -1.731 1.00 0.00 H new ATOM 0 HG23 VAL A 29 1.079 11.188 -2.143 1.00 0.00 H new ATOM 464 N GLU A 30 -0.502 12.839 -1.044 1.00 0.00 N ATOM 465 CA GLU A 30 -0.979 14.180 -1.337 1.00 0.00 C ATOM 466 C GLU A 30 -2.262 14.116 -2.170 1.00 0.00 C ATOM 467 O GLU A 30 -3.244 14.786 -1.855 1.00 0.00 O ATOM 468 CB GLU A 30 0.097 15.002 -2.050 1.00 0.00 C ATOM 469 CG GLU A 30 -0.152 16.501 -1.873 1.00 0.00 C ATOM 470 CD GLU A 30 -0.957 17.065 -3.045 1.00 0.00 C ATOM 471 OE1 GLU A 30 -2.146 16.743 -3.193 1.00 0.00 O ATOM 472 OE2 GLU A 30 -0.306 17.867 -3.818 1.00 0.00 O ATOM 0 H GLU A 30 0.007 12.392 -1.806 1.00 0.00 H new ATOM 0 HA GLU A 30 -1.205 14.679 -0.394 1.00 0.00 H new ATOM 0 HB2 GLU A 30 1.079 14.744 -1.654 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.106 14.754 -3.111 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -0.689 16.677 -0.941 1.00 0.00 H new ATOM 0 HG3 GLU A 30 0.801 17.025 -1.796 1.00 0.00 H new ATOM 480 N ASP A 31 -2.210 13.305 -3.216 1.00 0.00 N ATOM 481 CA ASP A 31 -3.356 13.146 -4.096 1.00 0.00 C ATOM 482 C ASP A 31 -4.637 13.133 -3.261 1.00 0.00 C ATOM 483 O ASP A 31 -5.445 14.057 -3.342 1.00 0.00 O ATOM 484 CB ASP A 31 -3.279 11.826 -4.866 1.00 0.00 C ATOM 485 CG ASP A 31 -2.112 11.717 -5.850 1.00 0.00 C ATOM 486 OD1 ASP A 31 -2.167 10.952 -6.824 1.00 0.00 O ATOM 487 OD2 ASP A 31 -1.100 12.471 -5.580 1.00 0.00 O ATOM 0 H ASP A 31 -1.393 12.751 -3.474 1.00 0.00 H new ATOM 0 HA ASP A 31 -3.357 13.976 -4.802 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -3.207 11.008 -4.149 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -4.211 11.688 -5.414 1.00 0.00 H new ATOM 493 N LEU A 32 -4.784 12.075 -2.477 1.00 0.00 N ATOM 494 CA LEU A 32 -5.953 11.929 -1.627 1.00 0.00 C ATOM 495 C LEU A 32 -5.701 12.636 -0.294 1.00 0.00 C ATOM 496 O LEU A 32 -6.066 13.798 -0.124 1.00 0.00 O ATOM 497 CB LEU A 32 -6.328 10.453 -1.480 1.00 0.00 C ATOM 498 CG LEU A 32 -6.709 9.726 -2.771 1.00 0.00 C ATOM 499 CD1 LEU A 32 -5.847 8.478 -2.973 1.00 0.00 C ATOM 500 CD2 LEU A 32 -8.204 9.399 -2.795 1.00 0.00 C ATOM 0 H LEU A 32 -4.112 11.310 -2.413 1.00 0.00 H new ATOM 0 HA LEU A 32 -6.818 12.409 -2.084 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.487 9.929 -1.026 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -7.164 10.379 -0.784 1.00 0.00 H new ATOM 0 HG LEU A 32 -6.511 10.393 -3.610 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -6.139 7.980 -3.898 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.797 8.766 -3.031 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.990 7.797 -2.134 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -8.449 8.883 -3.723 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -8.450 8.759 -1.948 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -8.780 10.322 -2.731 1.00 0.00 H new ATOM 512 N GLY A 33 -5.079 11.904 0.619 1.00 0.00 N ATOM 513 CA GLY A 33 -4.774 12.446 1.932 1.00 0.00 C ATOM 514 C GLY A 33 -4.364 11.335 2.902 1.00 0.00 C ATOM 515 O GLY A 33 -5.217 10.663 3.479 1.00 0.00 O ATOM 0 H GLY A 33 -4.778 10.940 0.475 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -3.970 13.177 1.850 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -5.645 12.972 2.323 1.00 0.00 H new ATOM 519 N ALA A 34 -3.057 11.177 3.051 1.00 0.00 N ATOM 520 CA ALA A 34 -2.523 10.160 3.941 1.00 0.00 C ATOM 521 C ALA A 34 -1.051 10.461 4.228 1.00 0.00 C ATOM 522 O ALA A 34 -0.172 10.068 3.461 1.00 0.00 O ATOM 523 CB ALA A 34 -2.725 8.778 3.316 1.00 0.00 C ATOM 0 H ALA A 34 -2.352 11.736 2.570 1.00 0.00 H new ATOM 0 HA ALA A 34 -3.052 10.167 4.894 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -2.325 8.015 3.983 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -3.789 8.601 3.160 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -2.205 8.732 2.359 1.00 0.00 H new ATOM 529 N ASP A 35 -0.826 11.155 5.333 1.00 0.00 N ATOM 530 CA ASP A 35 0.525 11.513 5.731 1.00 0.00 C ATOM 531 C ASP A 35 0.775 11.033 7.162 1.00 0.00 C ATOM 532 O ASP A 35 1.631 11.573 7.861 1.00 0.00 O ATOM 533 CB ASP A 35 0.724 13.030 5.700 1.00 0.00 C ATOM 534 CG ASP A 35 2.103 13.491 5.223 1.00 0.00 C ATOM 535 OD1 ASP A 35 2.947 13.917 6.026 1.00 0.00 O ATOM 536 OD2 ASP A 35 2.299 13.399 3.952 1.00 0.00 O ATOM 0 H ASP A 35 -1.557 11.479 5.966 1.00 0.00 H new ATOM 0 HA ASP A 35 1.218 11.043 5.033 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -0.034 13.468 5.050 1.00 0.00 H new ATOM 0 HB3 ASP A 35 0.552 13.425 6.701 1.00 0.00 H new ATOM 542 N SER A 36 0.013 10.023 7.555 1.00 0.00 N ATOM 543 CA SER A 36 0.141 9.463 8.890 1.00 0.00 C ATOM 544 C SER A 36 -0.012 7.942 8.837 1.00 0.00 C ATOM 545 O SER A 36 0.932 7.209 9.127 1.00 0.00 O ATOM 546 CB SER A 36 -0.892 10.068 9.842 1.00 0.00 C ATOM 547 OG SER A 36 -0.312 10.450 11.086 1.00 0.00 O ATOM 0 H SER A 36 -0.696 9.578 6.972 1.00 0.00 H new ATOM 0 HA SER A 36 1.133 9.708 9.270 1.00 0.00 H new ATOM 0 HB2 SER A 36 -1.351 10.939 9.373 1.00 0.00 H new ATOM 0 HB3 SER A 36 -1.688 9.345 10.020 1.00 0.00 H new ATOM 0 HG SER A 36 -1.003 10.833 11.665 1.00 0.00 H new ATOM 553 N LEU A 37 -1.209 7.513 8.464 1.00 0.00 N ATOM 554 CA LEU A 37 -1.498 6.092 8.369 1.00 0.00 C ATOM 555 C LEU A 37 -1.329 5.637 6.918 1.00 0.00 C ATOM 556 O LEU A 37 -1.964 4.675 6.487 1.00 0.00 O ATOM 557 CB LEU A 37 -2.879 5.786 8.953 1.00 0.00 C ATOM 558 CG LEU A 37 -3.373 6.739 10.043 1.00 0.00 C ATOM 559 CD1 LEU A 37 -4.889 6.637 10.215 1.00 0.00 C ATOM 560 CD2 LEU A 37 -2.629 6.499 11.359 1.00 0.00 C ATOM 0 H LEU A 37 -1.990 8.124 8.224 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.790 5.518 8.967 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -3.604 5.789 8.139 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -2.863 4.776 9.362 1.00 0.00 H new ATOM 0 HG LEU A 37 -3.153 7.760 9.730 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -5.214 7.325 10.996 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -5.380 6.895 9.277 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -5.156 5.618 10.495 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.999 7.189 12.117 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -2.796 5.474 11.689 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -1.562 6.663 11.209 1.00 0.00 H new ATOM 572 N ASP A 38 -0.470 6.350 6.204 1.00 0.00 N ATOM 573 CA ASP A 38 -0.210 6.031 4.811 1.00 0.00 C ATOM 574 C ASP A 38 0.869 4.949 4.732 1.00 0.00 C ATOM 575 O ASP A 38 0.780 4.037 3.912 1.00 0.00 O ATOM 576 CB ASP A 38 0.296 7.259 4.051 1.00 0.00 C ATOM 577 CG ASP A 38 1.813 7.456 4.076 1.00 0.00 C ATOM 578 OD1 ASP A 38 2.346 8.207 4.906 1.00 0.00 O ATOM 579 OD2 ASP A 38 2.464 6.791 3.182 1.00 0.00 O ATOM 0 H ASP A 38 0.054 7.147 6.564 1.00 0.00 H new ATOM 0 HA ASP A 38 -1.143 5.688 4.364 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -0.028 7.184 3.013 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -0.177 8.147 4.470 1.00 0.00 H new ATOM 585 N THR A 39 1.864 5.087 5.597 1.00 0.00 N ATOM 586 CA THR A 39 2.959 4.133 5.635 1.00 0.00 C ATOM 587 C THR A 39 2.822 3.213 6.850 1.00 0.00 C ATOM 588 O THR A 39 2.537 2.025 6.704 1.00 0.00 O ATOM 589 CB THR A 39 4.272 4.918 5.613 1.00 0.00 C ATOM 590 OG1 THR A 39 4.554 5.085 4.227 1.00 0.00 O ATOM 591 CG2 THR A 39 5.453 4.099 6.138 1.00 0.00 C ATOM 0 H THR A 39 1.934 5.845 6.276 1.00 0.00 H new ATOM 0 HA THR A 39 2.942 3.477 4.765 1.00 0.00 H new ATOM 0 HB THR A 39 4.164 5.823 6.211 1.00 0.00 H new ATOM 0 HG1 THR A 39 3.870 5.658 3.821 1.00 0.00 H new ATOM 0 HG21 THR A 39 6.360 4.703 6.101 1.00 0.00 H new ATOM 0 HG22 THR A 39 5.259 3.799 7.168 1.00 0.00 H new ATOM 0 HG23 THR A 39 5.583 3.211 5.520 1.00 0.00 H new ATOM 599 N VAL A 40 3.031 3.796 8.021 1.00 0.00 N ATOM 600 CA VAL A 40 2.934 3.043 9.260 1.00 0.00 C ATOM 601 C VAL A 40 1.859 1.964 9.113 1.00 0.00 C ATOM 602 O VAL A 40 2.162 0.773 9.149 1.00 0.00 O ATOM 603 CB VAL A 40 2.671 3.993 10.430 1.00 0.00 C ATOM 604 CG1 VAL A 40 2.440 3.215 11.727 1.00 0.00 C ATOM 605 CG2 VAL A 40 3.815 4.997 10.589 1.00 0.00 C ATOM 0 H VAL A 40 3.267 4.781 8.138 1.00 0.00 H new ATOM 0 HA VAL A 40 3.875 2.537 9.474 1.00 0.00 H new ATOM 0 HB VAL A 40 1.762 4.553 10.209 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.255 3.914 12.543 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.577 2.559 11.609 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.322 2.617 11.955 1.00 0.00 H new ATOM 0 HG21 VAL A 40 3.603 5.660 11.427 1.00 0.00 H new ATOM 0 HG22 VAL A 40 4.746 4.461 10.776 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.912 5.585 9.677 1.00 0.00 H new ATOM 615 N GLU A 41 0.626 2.421 8.951 1.00 0.00 N ATOM 616 CA GLU A 41 -0.495 1.509 8.799 1.00 0.00 C ATOM 617 C GLU A 41 -0.268 0.583 7.602 1.00 0.00 C ATOM 618 O GLU A 41 -0.269 -0.638 7.749 1.00 0.00 O ATOM 619 CB GLU A 41 -1.811 2.277 8.655 1.00 0.00 C ATOM 620 CG GLU A 41 -2.821 1.838 9.717 1.00 0.00 C ATOM 621 CD GLU A 41 -2.252 2.024 11.125 1.00 0.00 C ATOM 622 OE1 GLU A 41 -2.377 3.113 11.705 1.00 0.00 O ATOM 623 OE2 GLU A 41 -1.664 0.987 11.617 1.00 0.00 O ATOM 0 H GLU A 41 0.379 3.410 8.922 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.565 0.898 9.699 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.624 3.347 8.746 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -2.227 2.110 7.661 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -3.739 2.417 9.612 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -3.085 0.792 9.563 1.00 0.00 H new ATOM 631 N LEU A 42 -0.078 1.199 6.445 1.00 0.00 N ATOM 632 CA LEU A 42 0.150 0.445 5.224 1.00 0.00 C ATOM 633 C LEU A 42 1.051 -0.753 5.531 1.00 0.00 C ATOM 634 O LEU A 42 0.833 -1.847 5.013 1.00 0.00 O ATOM 635 CB LEU A 42 0.695 1.359 4.124 1.00 0.00 C ATOM 636 CG LEU A 42 1.310 0.656 2.912 1.00 0.00 C ATOM 637 CD1 LEU A 42 1.534 1.641 1.763 1.00 0.00 C ATOM 638 CD2 LEU A 42 2.596 -0.078 3.297 1.00 0.00 C ATOM 0 H LEU A 42 -0.077 2.212 6.327 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.790 0.048 4.840 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.116 1.998 3.775 1.00 0.00 H new ATOM 0 HB3 LEU A 42 1.450 2.012 4.562 1.00 0.00 H new ATOM 0 HG LEU A 42 0.604 -0.096 2.559 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.972 1.116 0.914 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.580 2.078 1.467 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.210 2.432 2.088 1.00 0.00 H new ATOM 0 HD21 LEU A 42 3.012 -0.569 2.417 1.00 0.00 H new ATOM 0 HD22 LEU A 42 3.319 0.637 3.690 1.00 0.00 H new ATOM 0 HD23 LEU A 42 2.374 -0.826 4.059 1.00 0.00 H new ATOM 650 N VAL A 43 2.045 -0.506 6.372 1.00 0.00 N ATOM 651 CA VAL A 43 2.980 -1.550 6.753 1.00 0.00 C ATOM 652 C VAL A 43 2.202 -2.758 7.279 1.00 0.00 C ATOM 653 O VAL A 43 2.122 -3.788 6.613 1.00 0.00 O ATOM 654 CB VAL A 43 3.991 -1.004 7.764 1.00 0.00 C ATOM 655 CG1 VAL A 43 5.177 -1.958 7.922 1.00 0.00 C ATOM 656 CG2 VAL A 43 4.462 0.396 7.365 1.00 0.00 C ATOM 0 H VAL A 43 2.223 0.403 6.800 1.00 0.00 H new ATOM 0 HA VAL A 43 3.553 -1.884 5.888 1.00 0.00 H new ATOM 0 HB VAL A 43 3.492 -0.927 8.730 1.00 0.00 H new ATOM 0 HG11 VAL A 43 5.881 -1.547 8.646 1.00 0.00 H new ATOM 0 HG12 VAL A 43 4.821 -2.927 8.272 1.00 0.00 H new ATOM 0 HG13 VAL A 43 5.676 -2.081 6.961 1.00 0.00 H new ATOM 0 HG21 VAL A 43 5.180 0.762 8.099 1.00 0.00 H new ATOM 0 HG22 VAL A 43 4.936 0.355 6.384 1.00 0.00 H new ATOM 0 HG23 VAL A 43 3.607 1.071 7.327 1.00 0.00 H new ATOM 666 N MET A 44 1.647 -2.590 8.471 1.00 0.00 N ATOM 667 CA MET A 44 0.877 -3.654 9.094 1.00 0.00 C ATOM 668 C MET A 44 0.150 -4.493 8.042 1.00 0.00 C ATOM 669 O MET A 44 0.288 -5.715 8.014 1.00 0.00 O ATOM 670 CB MET A 44 -0.144 -3.047 10.059 1.00 0.00 C ATOM 671 CG MET A 44 0.554 -2.319 11.209 1.00 0.00 C ATOM 672 SD MET A 44 0.387 -3.258 12.718 1.00 0.00 S ATOM 673 CE MET A 44 0.866 -2.018 13.909 1.00 0.00 C ATOM 0 H MET A 44 1.715 -1.734 9.021 1.00 0.00 H new ATOM 0 HA MET A 44 1.563 -4.303 9.638 1.00 0.00 H new ATOM 0 HB2 MET A 44 -0.789 -2.352 9.522 1.00 0.00 H new ATOM 0 HB3 MET A 44 -0.785 -3.833 10.457 1.00 0.00 H new ATOM 0 HG2 MET A 44 1.609 -2.178 10.974 1.00 0.00 H new ATOM 0 HG3 MET A 44 0.121 -1.327 11.338 1.00 0.00 H new ATOM 0 HE1 MET A 44 0.817 -2.440 14.913 1.00 0.00 H new ATOM 0 HE2 MET A 44 1.884 -1.689 13.702 1.00 0.00 H new ATOM 0 HE3 MET A 44 0.189 -1.167 13.840 1.00 0.00 H new ATOM 683 N ALA A 45 -0.609 -3.804 7.203 1.00 0.00 N ATOM 684 CA ALA A 45 -1.358 -4.471 6.151 1.00 0.00 C ATOM 685 C ALA A 45 -0.393 -5.258 5.263 1.00 0.00 C ATOM 686 O ALA A 45 -0.406 -6.488 5.263 1.00 0.00 O ATOM 687 CB ALA A 45 -2.164 -3.436 5.363 1.00 0.00 C ATOM 0 H ALA A 45 -0.722 -2.791 7.230 1.00 0.00 H new ATOM 0 HA ALA A 45 -2.067 -5.181 6.576 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -2.726 -3.936 4.574 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -2.856 -2.926 6.034 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -1.485 -2.707 4.919 1.00 0.00 H new ATOM 693 N LEU A 46 0.422 -4.516 4.528 1.00 0.00 N ATOM 694 CA LEU A 46 1.393 -5.129 3.637 1.00 0.00 C ATOM 695 C LEU A 46 2.202 -6.172 4.411 1.00 0.00 C ATOM 696 O LEU A 46 2.728 -7.116 3.823 1.00 0.00 O ATOM 697 CB LEU A 46 2.253 -4.058 2.963 1.00 0.00 C ATOM 698 CG LEU A 46 1.504 -3.040 2.102 1.00 0.00 C ATOM 699 CD1 LEU A 46 2.481 -2.170 1.307 1.00 0.00 C ATOM 700 CD2 LEU A 46 0.485 -3.732 1.195 1.00 0.00 C ATOM 0 H LEU A 46 0.430 -3.496 4.531 1.00 0.00 H new ATOM 0 HA LEU A 46 0.888 -5.655 2.827 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.798 -3.518 3.737 1.00 0.00 H new ATOM 0 HB3 LEU A 46 2.995 -4.556 2.339 1.00 0.00 H new ATOM 0 HG LEU A 46 0.947 -2.377 2.764 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.923 -1.455 0.703 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.133 -1.633 1.996 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.084 -2.802 0.655 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -0.033 -2.985 0.594 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.000 -4.433 0.538 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.239 -4.272 1.806 1.00 0.00 H new ATOM 712 N GLU A 47 2.277 -5.965 5.717 1.00 0.00 N ATOM 713 CA GLU A 47 3.013 -6.875 6.578 1.00 0.00 C ATOM 714 C GLU A 47 2.241 -8.185 6.750 1.00 0.00 C ATOM 715 O GLU A 47 2.783 -9.264 6.516 1.00 0.00 O ATOM 716 CB GLU A 47 3.307 -6.231 7.934 1.00 0.00 C ATOM 717 CG GLU A 47 4.452 -5.222 7.825 1.00 0.00 C ATOM 718 CD GLU A 47 5.015 -4.879 9.206 1.00 0.00 C ATOM 719 OE1 GLU A 47 6.150 -5.263 9.526 1.00 0.00 O ATOM 720 OE2 GLU A 47 4.228 -4.188 9.958 1.00 0.00 O ATOM 0 H GLU A 47 1.840 -5.180 6.200 1.00 0.00 H new ATOM 0 HA GLU A 47 3.969 -7.098 6.104 1.00 0.00 H new ATOM 0 HB2 GLU A 47 2.412 -5.732 8.305 1.00 0.00 H new ATOM 0 HB3 GLU A 47 3.566 -7.003 8.659 1.00 0.00 H new ATOM 0 HG2 GLU A 47 5.243 -5.631 7.197 1.00 0.00 H new ATOM 0 HG3 GLU A 47 4.096 -4.314 7.338 1.00 0.00 H new ATOM 728 N GLU A 48 0.987 -8.047 7.156 1.00 0.00 N ATOM 729 CA GLU A 48 0.136 -9.206 7.362 1.00 0.00 C ATOM 730 C GLU A 48 0.154 -10.105 6.124 1.00 0.00 C ATOM 731 O GLU A 48 0.029 -11.324 6.235 1.00 0.00 O ATOM 732 CB GLU A 48 -1.293 -8.782 7.710 1.00 0.00 C ATOM 733 CG GLU A 48 -1.676 -9.249 9.116 1.00 0.00 C ATOM 734 CD GLU A 48 -2.657 -10.421 9.056 1.00 0.00 C ATOM 735 OE1 GLU A 48 -2.710 -11.134 8.043 1.00 0.00 O ATOM 736 OE2 GLU A 48 -3.382 -10.580 10.111 1.00 0.00 O ATOM 0 H GLU A 48 0.540 -7.150 7.348 1.00 0.00 H new ATOM 0 HA GLU A 48 0.528 -9.774 8.206 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.380 -7.697 7.647 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -1.988 -9.200 6.982 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -0.780 -9.547 9.661 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -2.124 -8.423 9.668 1.00 0.00 H new ATOM 744 N GLU A 49 0.311 -9.469 4.972 1.00 0.00 N ATOM 745 CA GLU A 49 0.348 -10.195 3.714 1.00 0.00 C ATOM 746 C GLU A 49 1.451 -11.255 3.745 1.00 0.00 C ATOM 747 O GLU A 49 1.170 -12.445 3.881 1.00 0.00 O ATOM 748 CB GLU A 49 0.538 -9.240 2.534 1.00 0.00 C ATOM 749 CG GLU A 49 0.147 -9.912 1.217 1.00 0.00 C ATOM 750 CD GLU A 49 -1.327 -9.663 0.890 1.00 0.00 C ATOM 751 OE1 GLU A 49 -2.209 -10.057 1.666 1.00 0.00 O ATOM 752 OE2 GLU A 49 -1.541 -9.034 -0.216 1.00 0.00 O ATOM 0 H GLU A 49 0.414 -8.458 4.884 1.00 0.00 H new ATOM 0 HA GLU A 49 -0.609 -10.699 3.580 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -0.067 -8.346 2.684 1.00 0.00 H new ATOM 0 HB3 GLU A 49 1.578 -8.917 2.487 1.00 0.00 H new ATOM 0 HG2 GLU A 49 0.772 -9.529 0.410 1.00 0.00 H new ATOM 0 HG3 GLU A 49 0.332 -10.984 1.283 1.00 0.00 H new ATOM 760 N PHE A 50 2.683 -10.784 3.617 1.00 0.00 N ATOM 761 CA PHE A 50 3.830 -11.676 3.629 1.00 0.00 C ATOM 762 C PHE A 50 4.715 -11.416 4.850 1.00 0.00 C ATOM 763 O PHE A 50 5.939 -11.383 4.738 1.00 0.00 O ATOM 764 CB PHE A 50 4.634 -11.387 2.360 1.00 0.00 C ATOM 765 CG PHE A 50 4.099 -12.090 1.110 1.00 0.00 C ATOM 766 CD1 PHE A 50 4.441 -13.381 0.858 1.00 0.00 C ATOM 767 CD2 PHE A 50 3.282 -11.422 0.252 1.00 0.00 C ATOM 768 CE1 PHE A 50 3.944 -14.033 -0.302 1.00 0.00 C ATOM 769 CE2 PHE A 50 2.785 -12.074 -0.907 1.00 0.00 C ATOM 770 CZ PHE A 50 3.127 -13.366 -1.160 1.00 0.00 C ATOM 0 H PHE A 50 2.912 -9.796 3.504 1.00 0.00 H new ATOM 0 HA PHE A 50 3.495 -12.712 3.671 1.00 0.00 H new ATOM 0 HB2 PHE A 50 4.641 -10.311 2.184 1.00 0.00 H new ATOM 0 HB3 PHE A 50 5.668 -11.691 2.521 1.00 0.00 H new ATOM 0 HD1 PHE A 50 5.090 -13.911 1.539 1.00 0.00 H new ATOM 0 HD2 PHE A 50 3.011 -10.396 0.452 1.00 0.00 H new ATOM 0 HE1 PHE A 50 4.215 -15.059 -0.503 1.00 0.00 H new ATOM 0 HE2 PHE A 50 2.135 -11.544 -1.588 1.00 0.00 H new ATOM 0 HZ PHE A 50 2.750 -13.862 -2.042 1.00 0.00 H new ATOM 780 N ASP A 51 4.060 -11.238 5.988 1.00 0.00 N ATOM 781 CA ASP A 51 4.772 -10.981 7.228 1.00 0.00 C ATOM 782 C ASP A 51 6.052 -10.200 6.925 1.00 0.00 C ATOM 783 O ASP A 51 7.147 -10.637 7.273 1.00 0.00 O ATOM 784 CB ASP A 51 5.168 -12.289 7.916 1.00 0.00 C ATOM 785 CG ASP A 51 4.070 -12.933 8.764 1.00 0.00 C ATOM 786 OD1 ASP A 51 3.183 -12.244 9.290 1.00 0.00 O ATOM 787 OD2 ASP A 51 4.149 -14.215 8.878 1.00 0.00 O ATOM 0 H ASP A 51 3.044 -11.267 6.077 1.00 0.00 H new ATOM 0 HA ASP A 51 4.112 -10.413 7.884 1.00 0.00 H new ATOM 0 HB2 ASP A 51 5.482 -13.002 7.154 1.00 0.00 H new ATOM 0 HB3 ASP A 51 6.033 -12.100 8.552 1.00 0.00 H new ATOM 793 N THR A 52 5.870 -9.057 6.279 1.00 0.00 N ATOM 794 CA THR A 52 6.997 -8.211 5.925 1.00 0.00 C ATOM 795 C THR A 52 7.120 -7.047 6.910 1.00 0.00 C ATOM 796 O THR A 52 6.778 -7.184 8.084 1.00 0.00 O ATOM 797 CB THR A 52 6.812 -7.761 4.474 1.00 0.00 C ATOM 798 OG1 THR A 52 8.066 -7.179 4.129 1.00 0.00 O ATOM 799 CG2 THR A 52 5.817 -6.607 4.340 1.00 0.00 C ATOM 0 H THR A 52 4.960 -8.698 5.992 1.00 0.00 H new ATOM 0 HA THR A 52 7.938 -8.756 5.995 1.00 0.00 H new ATOM 0 HB THR A 52 6.472 -8.605 3.874 1.00 0.00 H new ATOM 0 HG1 THR A 52 7.919 -6.416 3.532 1.00 0.00 H new ATOM 0 HG21 THR A 52 5.723 -6.327 3.291 1.00 0.00 H new ATOM 0 HG22 THR A 52 4.844 -6.919 4.720 1.00 0.00 H new ATOM 0 HG23 THR A 52 6.173 -5.751 4.913 1.00 0.00 H new ATOM 807 N GLU A 53 7.610 -5.928 6.397 1.00 0.00 N ATOM 808 CA GLU A 53 7.783 -4.742 7.218 1.00 0.00 C ATOM 809 C GLU A 53 8.337 -3.590 6.376 1.00 0.00 C ATOM 810 O GLU A 53 9.466 -3.150 6.586 1.00 0.00 O ATOM 811 CB GLU A 53 8.690 -5.031 8.416 1.00 0.00 C ATOM 812 CG GLU A 53 10.054 -5.550 7.958 1.00 0.00 C ATOM 813 CD GLU A 53 10.575 -6.632 8.906 1.00 0.00 C ATOM 814 OE1 GLU A 53 10.587 -7.818 8.545 1.00 0.00 O ATOM 815 OE2 GLU A 53 10.979 -6.203 10.053 1.00 0.00 O ATOM 0 H GLU A 53 7.893 -5.818 5.423 1.00 0.00 H new ATOM 0 HA GLU A 53 6.808 -4.447 7.606 1.00 0.00 H new ATOM 0 HB2 GLU A 53 8.821 -4.123 9.005 1.00 0.00 H new ATOM 0 HB3 GLU A 53 8.217 -5.767 9.066 1.00 0.00 H new ATOM 0 HG2 GLU A 53 9.973 -5.954 6.949 1.00 0.00 H new ATOM 0 HG3 GLU A 53 10.765 -4.725 7.916 1.00 0.00 H new ATOM 823 N ILE A 54 7.517 -3.136 5.440 1.00 0.00 N ATOM 824 CA ILE A 54 7.910 -2.044 4.565 1.00 0.00 C ATOM 825 C ILE A 54 8.531 -0.924 5.403 1.00 0.00 C ATOM 826 O ILE A 54 7.820 -0.183 6.079 1.00 0.00 O ATOM 827 CB ILE A 54 6.726 -1.589 3.710 1.00 0.00 C ATOM 828 CG1 ILE A 54 7.047 -0.283 2.980 1.00 0.00 C ATOM 829 CG2 ILE A 54 5.453 -1.477 4.552 1.00 0.00 C ATOM 830 CD1 ILE A 54 8.504 -0.260 2.513 1.00 0.00 C ATOM 0 H ILE A 54 6.582 -3.504 5.268 1.00 0.00 H new ATOM 0 HA ILE A 54 8.672 -2.376 3.860 1.00 0.00 H new ATOM 0 HB ILE A 54 6.543 -2.347 2.948 1.00 0.00 H new ATOM 0 HG12 ILE A 54 6.384 -0.169 2.122 1.00 0.00 H new ATOM 0 HG13 ILE A 54 6.860 0.563 3.641 1.00 0.00 H new ATOM 0 HG21 ILE A 54 4.626 -1.152 3.920 1.00 0.00 H new ATOM 0 HG22 ILE A 54 5.217 -2.449 4.986 1.00 0.00 H new ATOM 0 HG23 ILE A 54 5.607 -0.751 5.350 1.00 0.00 H new ATOM 0 HD11 ILE A 54 8.706 0.679 1.997 1.00 0.00 H new ATOM 0 HD12 ILE A 54 9.164 -0.349 3.376 1.00 0.00 H new ATOM 0 HD13 ILE A 54 8.681 -1.093 1.833 1.00 0.00 H new ATOM 842 N PRO A 55 9.886 -0.834 5.328 1.00 0.00 N ATOM 843 CA PRO A 55 10.611 0.183 6.071 1.00 0.00 C ATOM 844 C PRO A 55 10.449 1.558 5.419 1.00 0.00 C ATOM 845 O PRO A 55 10.384 1.665 4.195 1.00 0.00 O ATOM 846 CB PRO A 55 12.052 -0.298 6.093 1.00 0.00 C ATOM 847 CG PRO A 55 12.168 -1.320 4.973 1.00 0.00 C ATOM 848 CD PRO A 55 10.761 -1.695 4.537 1.00 0.00 C ATOM 0 HA PRO A 55 10.233 0.313 7.085 1.00 0.00 H new ATOM 0 HB2 PRO A 55 12.743 0.531 5.938 1.00 0.00 H new ATOM 0 HB3 PRO A 55 12.300 -0.744 7.056 1.00 0.00 H new ATOM 0 HG2 PRO A 55 12.730 -0.906 4.135 1.00 0.00 H new ATOM 0 HG3 PRO A 55 12.709 -2.202 5.315 1.00 0.00 H new ATOM 0 HD2 PRO A 55 10.620 -1.529 3.469 1.00 0.00 H new ATOM 0 HD3 PRO A 55 10.556 -2.749 4.726 1.00 0.00 H new ATOM 856 N ASP A 56 10.388 2.575 6.265 1.00 0.00 N ATOM 857 CA ASP A 56 10.235 3.938 5.787 1.00 0.00 C ATOM 858 C ASP A 56 11.177 4.168 4.603 1.00 0.00 C ATOM 859 O ASP A 56 10.745 4.603 3.537 1.00 0.00 O ATOM 860 CB ASP A 56 10.593 4.949 6.879 1.00 0.00 C ATOM 861 CG ASP A 56 10.269 6.406 6.543 1.00 0.00 C ATOM 862 OD1 ASP A 56 9.984 6.746 5.385 1.00 0.00 O ATOM 863 OD2 ASP A 56 10.320 7.220 7.542 1.00 0.00 O ATOM 0 H ASP A 56 10.442 2.482 7.279 1.00 0.00 H new ATOM 0 HA ASP A 56 9.194 4.077 5.494 1.00 0.00 H new ATOM 0 HB2 ASP A 56 10.065 4.677 7.793 1.00 0.00 H new ATOM 0 HB3 ASP A 56 11.659 4.869 7.091 1.00 0.00 H new ATOM 869 N GLU A 57 12.446 3.864 4.831 1.00 0.00 N ATOM 870 CA GLU A 57 13.453 4.032 3.797 1.00 0.00 C ATOM 871 C GLU A 57 12.921 3.533 2.452 1.00 0.00 C ATOM 872 O GLU A 57 13.341 4.009 1.398 1.00 0.00 O ATOM 873 CB GLU A 57 14.751 3.314 4.173 1.00 0.00 C ATOM 874 CG GLU A 57 14.478 1.863 4.574 1.00 0.00 C ATOM 875 CD GLU A 57 15.598 0.941 4.087 1.00 0.00 C ATOM 876 OE1 GLU A 57 16.564 0.695 4.825 1.00 0.00 O ATOM 877 OE2 GLU A 57 15.438 0.471 2.897 1.00 0.00 O ATOM 0 H GLU A 57 12.800 3.502 5.717 1.00 0.00 H new ATOM 0 HA GLU A 57 13.678 5.095 3.706 1.00 0.00 H new ATOM 0 HB2 GLU A 57 15.442 3.338 3.330 1.00 0.00 H new ATOM 0 HB3 GLU A 57 15.235 3.838 4.997 1.00 0.00 H new ATOM 0 HG2 GLU A 57 14.389 1.792 5.658 1.00 0.00 H new ATOM 0 HG3 GLU A 57 13.526 1.538 4.154 1.00 0.00 H new ATOM 885 N GLU A 58 12.004 2.580 2.532 1.00 0.00 N ATOM 886 CA GLU A 58 11.410 2.011 1.334 1.00 0.00 C ATOM 887 C GLU A 58 9.963 2.486 1.182 1.00 0.00 C ATOM 888 O GLU A 58 9.418 2.482 0.079 1.00 0.00 O ATOM 889 CB GLU A 58 11.485 0.483 1.358 1.00 0.00 C ATOM 890 CG GLU A 58 12.451 -0.035 0.290 1.00 0.00 C ATOM 891 CD GLU A 58 11.695 -0.741 -0.837 1.00 0.00 C ATOM 892 OE1 GLU A 58 11.763 -1.974 -0.952 1.00 0.00 O ATOM 893 OE2 GLU A 58 11.017 0.037 -1.611 1.00 0.00 O ATOM 0 H GLU A 58 11.658 2.188 3.408 1.00 0.00 H new ATOM 0 HA GLU A 58 11.978 2.357 0.471 1.00 0.00 H new ATOM 0 HB2 GLU A 58 11.811 0.147 2.342 1.00 0.00 H new ATOM 0 HB3 GLU A 58 10.493 0.064 1.190 1.00 0.00 H new ATOM 0 HG2 GLU A 58 13.027 0.796 -0.118 1.00 0.00 H new ATOM 0 HG3 GLU A 58 13.163 -0.725 0.743 1.00 0.00 H new ATOM 901 N ALA A 59 9.384 2.885 2.304 1.00 0.00 N ATOM 902 CA ALA A 59 8.012 3.363 2.309 1.00 0.00 C ATOM 903 C ALA A 59 7.928 4.670 1.518 1.00 0.00 C ATOM 904 O ALA A 59 6.894 4.978 0.928 1.00 0.00 O ATOM 905 CB ALA A 59 7.532 3.524 3.753 1.00 0.00 C ATOM 0 H ALA A 59 9.840 2.887 3.216 1.00 0.00 H new ATOM 0 HA ALA A 59 7.353 2.642 1.825 1.00 0.00 H new ATOM 0 HB1 ALA A 59 6.503 3.883 3.756 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.583 2.562 4.263 1.00 0.00 H new ATOM 0 HB3 ALA A 59 8.168 4.242 4.270 1.00 0.00 H new ATOM 911 N GLU A 60 9.031 5.404 1.532 1.00 0.00 N ATOM 912 CA GLU A 60 9.096 6.671 0.823 1.00 0.00 C ATOM 913 C GLU A 60 9.152 6.432 -0.687 1.00 0.00 C ATOM 914 O GLU A 60 9.055 7.374 -1.472 1.00 0.00 O ATOM 915 CB GLU A 60 10.292 7.501 1.292 1.00 0.00 C ATOM 916 CG GLU A 60 9.838 8.855 1.842 1.00 0.00 C ATOM 917 CD GLU A 60 10.900 9.456 2.766 1.00 0.00 C ATOM 918 OE1 GLU A 60 10.673 9.571 3.979 1.00 0.00 O ATOM 919 OE2 GLU A 60 11.995 9.807 2.181 1.00 0.00 O ATOM 0 H GLU A 60 9.887 5.146 2.023 1.00 0.00 H new ATOM 0 HA GLU A 60 8.192 7.238 1.048 1.00 0.00 H new ATOM 0 HB2 GLU A 60 10.838 6.956 2.062 1.00 0.00 H new ATOM 0 HB3 GLU A 60 10.981 7.654 0.461 1.00 0.00 H new ATOM 0 HG2 GLU A 60 9.640 9.539 1.017 1.00 0.00 H new ATOM 0 HG3 GLU A 60 8.902 8.735 2.388 1.00 0.00 H new ATOM 927 N LYS A 61 9.310 5.167 -1.048 1.00 0.00 N ATOM 928 CA LYS A 61 9.381 4.793 -2.450 1.00 0.00 C ATOM 929 C LYS A 61 8.046 4.178 -2.878 1.00 0.00 C ATOM 930 O LYS A 61 7.830 3.915 -4.059 1.00 0.00 O ATOM 931 CB LYS A 61 10.585 3.883 -2.702 1.00 0.00 C ATOM 932 CG LYS A 61 11.787 4.690 -3.199 1.00 0.00 C ATOM 933 CD LYS A 61 12.240 4.204 -4.577 1.00 0.00 C ATOM 934 CE LYS A 61 11.819 5.187 -5.671 1.00 0.00 C ATOM 935 NZ LYS A 61 12.145 4.644 -7.009 1.00 0.00 N ATOM 0 H LYS A 61 9.391 4.388 -0.394 1.00 0.00 H new ATOM 0 HA LYS A 61 9.541 5.674 -3.071 1.00 0.00 H new ATOM 0 HB2 LYS A 61 10.849 3.360 -1.783 1.00 0.00 H new ATOM 0 HB3 LYS A 61 10.323 3.123 -3.438 1.00 0.00 H new ATOM 0 HG2 LYS A 61 11.524 5.747 -3.250 1.00 0.00 H new ATOM 0 HG3 LYS A 61 12.609 4.600 -2.489 1.00 0.00 H new ATOM 0 HD2 LYS A 61 13.324 4.086 -4.587 1.00 0.00 H new ATOM 0 HD3 LYS A 61 11.811 3.223 -4.780 1.00 0.00 H new ATOM 0 HE2 LYS A 61 10.749 5.381 -5.602 1.00 0.00 H new ATOM 0 HE3 LYS A 61 12.326 6.141 -5.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 11.853 5.324 -7.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 13.170 4.481 -7.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 11.642 3.745 -7.151 1.00 0.00 H new ATOM 948 N ILE A 62 7.186 3.967 -1.892 1.00 0.00 N ATOM 949 CA ILE A 62 5.879 3.388 -2.151 1.00 0.00 C ATOM 950 C ILE A 62 4.802 4.453 -1.931 1.00 0.00 C ATOM 951 O ILE A 62 3.626 4.128 -1.774 1.00 0.00 O ATOM 952 CB ILE A 62 5.676 2.126 -1.312 1.00 0.00 C ATOM 953 CG1 ILE A 62 5.152 2.473 0.083 1.00 0.00 C ATOM 954 CG2 ILE A 62 6.959 1.295 -1.252 1.00 0.00 C ATOM 955 CD1 ILE A 62 4.844 1.206 0.884 1.00 0.00 C ATOM 0 H ILE A 62 7.369 4.187 -0.913 1.00 0.00 H new ATOM 0 HA ILE A 62 5.804 3.067 -3.190 1.00 0.00 H new ATOM 0 HB ILE A 62 4.917 1.512 -1.797 1.00 0.00 H new ATOM 0 HG12 ILE A 62 5.891 3.073 0.614 1.00 0.00 H new ATOM 0 HG13 ILE A 62 4.251 3.081 -0.004 1.00 0.00 H new ATOM 0 HG21 ILE A 62 6.787 0.403 -0.649 1.00 0.00 H new ATOM 0 HG22 ILE A 62 7.249 1.001 -2.261 1.00 0.00 H new ATOM 0 HG23 ILE A 62 7.756 1.888 -0.803 1.00 0.00 H new ATOM 0 HD11 ILE A 62 4.473 1.481 1.871 1.00 0.00 H new ATOM 0 HD12 ILE A 62 4.087 0.621 0.362 1.00 0.00 H new ATOM 0 HD13 ILE A 62 5.752 0.613 0.990 1.00 0.00 H new ATOM 967 N THR A 63 5.242 5.702 -1.926 1.00 0.00 N ATOM 968 CA THR A 63 4.331 6.816 -1.728 1.00 0.00 C ATOM 969 C THR A 63 2.984 6.528 -2.393 1.00 0.00 C ATOM 970 O THR A 63 1.940 6.953 -1.900 1.00 0.00 O ATOM 971 CB THR A 63 5.010 8.082 -2.254 1.00 0.00 C ATOM 972 OG1 THR A 63 5.199 7.824 -3.642 1.00 0.00 O ATOM 973 CG2 THR A 63 6.430 8.254 -1.710 1.00 0.00 C ATOM 0 H THR A 63 6.218 5.968 -2.056 1.00 0.00 H new ATOM 0 HA THR A 63 4.111 6.964 -0.671 1.00 0.00 H new ATOM 0 HB THR A 63 4.411 8.953 -1.987 1.00 0.00 H new ATOM 0 HG1 THR A 63 5.633 8.596 -4.062 1.00 0.00 H new ATOM 0 HG21 THR A 63 6.866 9.167 -2.114 1.00 0.00 H new ATOM 0 HG22 THR A 63 6.398 8.318 -0.622 1.00 0.00 H new ATOM 0 HG23 THR A 63 7.039 7.399 -2.005 1.00 0.00 H new ATOM 981 N THR A 64 3.050 5.809 -3.504 1.00 0.00 N ATOM 982 CA THR A 64 1.849 5.459 -4.242 1.00 0.00 C ATOM 983 C THR A 64 1.495 3.987 -4.019 1.00 0.00 C ATOM 984 O THR A 64 2.320 3.214 -3.534 1.00 0.00 O ATOM 985 CB THR A 64 2.077 5.813 -5.713 1.00 0.00 C ATOM 986 OG1 THR A 64 3.427 5.426 -5.957 1.00 0.00 O ATOM 987 CG2 THR A 64 2.072 7.323 -5.959 1.00 0.00 C ATOM 0 H THR A 64 3.917 5.459 -3.911 1.00 0.00 H new ATOM 0 HA THR A 64 0.988 6.025 -3.886 1.00 0.00 H new ATOM 0 HB THR A 64 1.306 5.343 -6.324 1.00 0.00 H new ATOM 0 HG1 THR A 64 3.659 5.619 -6.889 1.00 0.00 H new ATOM 0 HG21 THR A 64 2.238 7.520 -7.018 1.00 0.00 H new ATOM 0 HG22 THR A 64 1.109 7.737 -5.659 1.00 0.00 H new ATOM 0 HG23 THR A 64 2.865 7.789 -5.375 1.00 0.00 H new ATOM 995 N VAL A 65 0.269 3.644 -4.385 1.00 0.00 N ATOM 996 CA VAL A 65 -0.204 2.279 -4.231 1.00 0.00 C ATOM 997 C VAL A 65 0.523 1.376 -5.230 1.00 0.00 C ATOM 998 O VAL A 65 0.992 0.297 -4.871 1.00 0.00 O ATOM 999 CB VAL A 65 -1.726 2.232 -4.381 1.00 0.00 C ATOM 1000 CG1 VAL A 65 -2.258 0.819 -4.130 1.00 0.00 C ATOM 1001 CG2 VAL A 65 -2.399 3.244 -3.452 1.00 0.00 C ATOM 0 H VAL A 65 -0.411 4.288 -4.788 1.00 0.00 H new ATOM 0 HA VAL A 65 0.022 1.907 -3.232 1.00 0.00 H new ATOM 0 HB VAL A 65 -1.971 2.505 -5.408 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -3.342 0.813 -4.243 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -1.815 0.130 -4.849 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -1.997 0.506 -3.119 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -3.480 3.191 -3.578 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -2.142 3.015 -2.418 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -2.054 4.249 -3.698 1.00 0.00 H new ATOM 1011 N GLN A 66 0.595 1.852 -6.465 1.00 0.00 N ATOM 1012 CA GLN A 66 1.257 1.101 -7.518 1.00 0.00 C ATOM 1013 C GLN A 66 2.522 0.431 -6.978 1.00 0.00 C ATOM 1014 O GLN A 66 2.690 -0.781 -7.107 1.00 0.00 O ATOM 1015 CB GLN A 66 1.582 2.002 -8.712 1.00 0.00 C ATOM 1016 CG GLN A 66 2.405 1.249 -9.759 1.00 0.00 C ATOM 1017 CD GLN A 66 1.980 -0.219 -9.838 1.00 0.00 C ATOM 1018 OE1 GLN A 66 2.751 -1.130 -9.584 1.00 0.00 O ATOM 1019 NE2 GLN A 66 0.715 -0.397 -10.206 1.00 0.00 N ATOM 0 H GLN A 66 0.206 2.748 -6.759 1.00 0.00 H new ATOM 0 HA GLN A 66 0.577 0.323 -7.865 1.00 0.00 H new ATOM 0 HB2 GLN A 66 0.657 2.363 -9.162 1.00 0.00 H new ATOM 0 HB3 GLN A 66 2.134 2.878 -8.371 1.00 0.00 H new ATOM 0 HG2 GLN A 66 2.279 1.721 -10.734 1.00 0.00 H new ATOM 0 HG3 GLN A 66 3.464 1.312 -9.509 1.00 0.00 H new ATOM 0 HE21 GLN A 66 0.123 0.410 -10.404 1.00 0.00 H new ATOM 0 HE22 GLN A 66 0.336 -1.340 -10.290 1.00 0.00 H new ATOM 1028 N ALA A 67 3.379 1.248 -6.384 1.00 0.00 N ATOM 1029 CA ALA A 67 4.623 0.749 -5.823 1.00 0.00 C ATOM 1030 C ALA A 67 4.314 -0.344 -4.798 1.00 0.00 C ATOM 1031 O ALA A 67 4.924 -1.412 -4.821 1.00 0.00 O ATOM 1032 CB ALA A 67 5.412 1.911 -5.217 1.00 0.00 C ATOM 0 H ALA A 67 3.236 2.253 -6.279 1.00 0.00 H new ATOM 0 HA ALA A 67 5.244 0.304 -6.601 1.00 0.00 H new ATOM 0 HB1 ALA A 67 6.345 1.537 -4.796 1.00 0.00 H new ATOM 0 HB2 ALA A 67 5.632 2.645 -5.992 1.00 0.00 H new ATOM 0 HB3 ALA A 67 4.822 2.380 -4.430 1.00 0.00 H new ATOM 1038 N ALA A 68 3.366 -0.039 -3.924 1.00 0.00 N ATOM 1039 CA ALA A 68 2.968 -0.982 -2.893 1.00 0.00 C ATOM 1040 C ALA A 68 2.658 -2.335 -3.537 1.00 0.00 C ATOM 1041 O ALA A 68 2.692 -3.367 -2.869 1.00 0.00 O ATOM 1042 CB ALA A 68 1.776 -0.418 -2.118 1.00 0.00 C ATOM 0 H ALA A 68 2.862 0.848 -3.909 1.00 0.00 H new ATOM 0 HA ALA A 68 3.778 -1.135 -2.179 1.00 0.00 H new ATOM 0 HB1 ALA A 68 1.477 -1.125 -1.344 1.00 0.00 H new ATOM 0 HB2 ALA A 68 2.057 0.528 -1.655 1.00 0.00 H new ATOM 0 HB3 ALA A 68 0.943 -0.254 -2.801 1.00 0.00 H new ATOM 1048 N ILE A 69 2.361 -2.286 -4.827 1.00 0.00 N ATOM 1049 CA ILE A 69 2.045 -3.495 -5.569 1.00 0.00 C ATOM 1050 C ILE A 69 3.320 -4.039 -6.215 1.00 0.00 C ATOM 1051 O ILE A 69 3.609 -5.231 -6.119 1.00 0.00 O ATOM 1052 CB ILE A 69 0.915 -3.231 -6.566 1.00 0.00 C ATOM 1053 CG1 ILE A 69 -0.440 -3.180 -5.857 1.00 0.00 C ATOM 1054 CG2 ILE A 69 0.931 -4.261 -7.697 1.00 0.00 C ATOM 1055 CD1 ILE A 69 -1.065 -1.788 -5.969 1.00 0.00 C ATOM 0 H ILE A 69 2.332 -1.428 -5.378 1.00 0.00 H new ATOM 0 HA ILE A 69 1.672 -4.268 -4.897 1.00 0.00 H new ATOM 0 HB ILE A 69 1.079 -2.253 -7.018 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -1.111 -3.920 -6.293 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -0.315 -3.443 -4.807 1.00 0.00 H new ATOM 0 HG21 ILE A 69 0.118 -4.051 -8.392 1.00 0.00 H new ATOM 0 HG22 ILE A 69 1.883 -4.207 -8.225 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.804 -5.260 -7.281 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -2.027 -1.779 -5.457 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -0.403 -1.054 -5.510 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -1.211 -1.538 -7.020 1.00 0.00 H new ATOM 1067 N ASP A 70 4.049 -3.140 -6.860 1.00 0.00 N ATOM 1068 CA ASP A 70 5.287 -3.516 -7.522 1.00 0.00 C ATOM 1069 C ASP A 70 6.329 -3.897 -6.469 1.00 0.00 C ATOM 1070 O ASP A 70 7.396 -4.409 -6.803 1.00 0.00 O ATOM 1071 CB ASP A 70 5.848 -2.353 -8.343 1.00 0.00 C ATOM 1072 CG ASP A 70 6.962 -2.730 -9.321 1.00 0.00 C ATOM 1073 OD1 ASP A 70 7.178 -3.914 -9.618 1.00 0.00 O ATOM 1074 OD2 ASP A 70 7.633 -1.734 -9.794 1.00 0.00 O ATOM 0 H ASP A 70 3.806 -2.152 -6.938 1.00 0.00 H new ATOM 0 HA ASP A 70 5.073 -4.355 -8.184 1.00 0.00 H new ATOM 0 HB2 ASP A 70 5.032 -1.897 -8.904 1.00 0.00 H new ATOM 0 HB3 ASP A 70 6.227 -1.594 -7.658 1.00 0.00 H new ATOM 1080 N TYR A 71 5.983 -3.632 -5.218 1.00 0.00 N ATOM 1081 CA TYR A 71 6.874 -3.941 -4.113 1.00 0.00 C ATOM 1082 C TYR A 71 6.627 -5.357 -3.588 1.00 0.00 C ATOM 1083 O TYR A 71 7.542 -6.179 -3.555 1.00 0.00 O ATOM 1084 CB TYR A 71 6.542 -2.935 -3.009 1.00 0.00 C ATOM 1085 CG TYR A 71 6.829 -3.446 -1.595 1.00 0.00 C ATOM 1086 CD1 TYR A 71 8.046 -4.030 -1.306 1.00 0.00 C ATOM 1087 CD2 TYR A 71 5.871 -3.322 -0.609 1.00 0.00 C ATOM 1088 CE1 TYR A 71 8.316 -4.510 0.024 1.00 0.00 C ATOM 1089 CE2 TYR A 71 6.141 -3.802 0.721 1.00 0.00 C ATOM 1090 CZ TYR A 71 7.350 -4.373 0.972 1.00 0.00 C ATOM 1091 OH TYR A 71 7.605 -4.826 2.229 1.00 0.00 O ATOM 0 H TYR A 71 5.097 -3.206 -4.945 1.00 0.00 H new ATOM 0 HA TYR A 71 7.915 -3.883 -4.432 1.00 0.00 H new ATOM 0 HB2 TYR A 71 7.115 -2.023 -3.178 1.00 0.00 H new ATOM 0 HB3 TYR A 71 5.488 -2.667 -3.081 1.00 0.00 H new ATOM 0 HD1 TYR A 71 8.795 -4.127 -2.078 1.00 0.00 H new ATOM 0 HD2 TYR A 71 4.919 -2.865 -0.835 1.00 0.00 H new ATOM 0 HE1 TYR A 71 9.264 -4.968 0.264 1.00 0.00 H new ATOM 0 HE2 TYR A 71 5.401 -3.711 1.502 1.00 0.00 H new ATOM 0 HH TYR A 71 8.150 -4.168 2.710 1.00 0.00 H new ATOM 1101 N ILE A 72 5.387 -5.598 -3.190 1.00 0.00 N ATOM 1102 CA ILE A 72 5.008 -6.900 -2.668 1.00 0.00 C ATOM 1103 C ILE A 72 5.245 -7.964 -3.742 1.00 0.00 C ATOM 1104 O ILE A 72 5.304 -9.154 -3.439 1.00 0.00 O ATOM 1105 CB ILE A 72 3.572 -6.868 -2.139 1.00 0.00 C ATOM 1106 CG1 ILE A 72 3.410 -5.799 -1.057 1.00 0.00 C ATOM 1107 CG2 ILE A 72 3.138 -8.251 -1.649 1.00 0.00 C ATOM 1108 CD1 ILE A 72 3.791 -6.349 0.319 1.00 0.00 C ATOM 0 H ILE A 72 4.631 -4.914 -3.218 1.00 0.00 H new ATOM 0 HA ILE A 72 5.632 -7.165 -1.814 1.00 0.00 H new ATOM 0 HB ILE A 72 2.910 -6.596 -2.961 1.00 0.00 H new ATOM 0 HG12 ILE A 72 4.035 -4.938 -1.294 1.00 0.00 H new ATOM 0 HG13 ILE A 72 2.378 -5.448 -1.039 1.00 0.00 H new ATOM 0 HG21 ILE A 72 2.114 -8.201 -1.278 1.00 0.00 H new ATOM 0 HG22 ILE A 72 3.191 -8.962 -2.473 1.00 0.00 H new ATOM 0 HG23 ILE A 72 3.799 -8.576 -0.846 1.00 0.00 H new ATOM 0 HD11 ILE A 72 3.667 -5.569 1.070 1.00 0.00 H new ATOM 0 HD12 ILE A 72 3.148 -7.194 0.564 1.00 0.00 H new ATOM 0 HD13 ILE A 72 4.830 -6.677 0.305 1.00 0.00 H new ATOM 1120 N ASN A 73 5.374 -7.496 -4.974 1.00 0.00 N ATOM 1121 CA ASN A 73 5.603 -8.392 -6.095 1.00 0.00 C ATOM 1122 C ASN A 73 7.108 -8.554 -6.313 1.00 0.00 C ATOM 1123 O ASN A 73 7.570 -9.624 -6.708 1.00 0.00 O ATOM 1124 CB ASN A 73 4.996 -7.830 -7.382 1.00 0.00 C ATOM 1125 CG ASN A 73 3.804 -8.673 -7.840 1.00 0.00 C ATOM 1126 OD1 ASN A 73 2.673 -7.985 -7.967 1.00 0.00 O flip ATOM 1127 ND2 ASN A 73 3.904 -9.868 -8.062 1.00 0.00 N flip ATOM 0 H ASN A 73 5.324 -6.508 -5.221 1.00 0.00 H new ATOM 0 HA ASN A 73 5.135 -9.349 -5.864 1.00 0.00 H new ATOM 0 HB2 ASN A 73 4.677 -6.801 -7.218 1.00 0.00 H new ATOM 0 HB3 ASN A 73 5.753 -7.808 -8.166 1.00 0.00 H new ATOM 0 HD21 ASN A 73 4.803 -10.335 -7.945 1.00 0.00 H new ATOM 0 HD22 ASN A 73 3.088 -10.400 -8.365 1.00 0.00 H new ATOM 1134 N GLY A 74 7.832 -7.477 -6.047 1.00 0.00 N ATOM 1135 CA GLY A 74 9.276 -7.487 -6.209 1.00 0.00 C ATOM 1136 C GLY A 74 9.966 -8.011 -4.948 1.00 0.00 C ATOM 1137 O GLY A 74 11.181 -7.885 -4.803 1.00 0.00 O ATOM 0 H GLY A 74 7.446 -6.591 -5.720 1.00 0.00 H new ATOM 0 HA2 GLY A 74 9.546 -8.111 -7.061 1.00 0.00 H new ATOM 0 HA3 GLY A 74 9.628 -6.479 -6.428 1.00 0.00 H new ATOM 1141 N HIS A 75 9.161 -8.587 -4.068 1.00 0.00 N ATOM 1142 CA HIS A 75 9.679 -9.131 -2.824 1.00 0.00 C ATOM 1143 C HIS A 75 9.672 -10.659 -2.889 1.00 0.00 C ATOM 1144 O HIS A 75 10.683 -11.301 -2.611 1.00 0.00 O ATOM 1145 CB HIS A 75 8.899 -8.585 -1.626 1.00 0.00 C ATOM 1146 CG HIS A 75 9.756 -7.866 -0.611 1.00 0.00 C ATOM 1147 ND1 HIS A 75 9.640 -8.077 0.752 1.00 0.00 N ATOM 1148 CD2 HIS A 75 10.742 -6.938 -0.775 1.00 0.00 C ATOM 1149 CE1 HIS A 75 10.521 -7.305 1.371 1.00 0.00 C ATOM 1150 NE2 HIS A 75 11.203 -6.600 0.423 1.00 0.00 N ATOM 0 H HIS A 75 8.154 -8.689 -4.191 1.00 0.00 H new ATOM 0 HA HIS A 75 10.712 -8.813 -2.687 1.00 0.00 H new ATOM 0 HB2 HIS A 75 8.131 -7.901 -1.987 1.00 0.00 H new ATOM 0 HB3 HIS A 75 8.385 -9.410 -1.133 1.00 0.00 H new ATOM 0 HD2 HIS A 75 11.089 -6.545 -1.719 1.00 0.00 H new ATOM 0 HE1 HIS A 75 10.673 -7.244 2.439 1.00 0.00 H new ATOM 0 HE2 HIS A 75 11.945 -5.924 0.605 1.00 0.00 H new