USER MOD reduce.3.24.130724 H: found=0, std=0, add=557, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 571 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 73 ASN :FLIP amide:sc= 0.11 F(o=-5.7!,f=-3.8) USER MOD Set 1.2: A 76 GLN : amide:sc= -3.9 K(o=-3.8,f=-7.2!) USER MOD Set 2.1: A 8 LYS NZ :NH3+ -149:sc= -0.362 (180deg=-1.75!) USER MOD Set 2.2: A 24 ASN : amide:sc= -1.55! C(o=-1.9!,f=-8!) USER MOD Single : A 9 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00147) USER MOD Single : A 13 GLN : amide:sc= -0.248 K(o=-0.25,f=-2.2!) USER MOD Single : A 14 GLN : amide:sc= -4.42! C(o=-4.4!,f=-9.6!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc=-0.00334 X(o=-0.0033,f=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0.00714 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.269 USER MOD Single : A 64 THR OG1 : rot -150:sc= -1.7! USER MOD Single : A 66 GLN : amide:sc= -1.14 K(o=-1.1,f=-1.8!) USER MOD Single : A 71 TYR OH : rot 170:sc= -1.64! USER MOD Single : A 75 HIS : no HE2:sc= -3.86! C(o=-3.9!,f=-4.3!) USER MOD ----------------------------------------------------------------- ATOM 26 N ILE A 3 -3.042 -8.444 -10.909 1.00 0.00 N ATOM 27 CA ILE A 3 -2.213 -7.827 -9.888 1.00 0.00 C ATOM 28 C ILE A 3 -2.731 -6.417 -9.599 1.00 0.00 C ATOM 29 O ILE A 3 -3.336 -6.175 -8.556 1.00 0.00 O ATOM 30 CB ILE A 3 -0.739 -7.869 -10.296 1.00 0.00 C ATOM 31 CG1 ILE A 3 -0.041 -9.097 -9.707 1.00 0.00 C ATOM 32 CG2 ILE A 3 -0.027 -6.569 -9.918 1.00 0.00 C ATOM 33 CD1 ILE A 3 0.588 -8.772 -8.351 1.00 0.00 C ATOM 0 HA ILE A 3 -2.278 -8.388 -8.956 1.00 0.00 H new ATOM 0 HB ILE A 3 -0.688 -7.959 -11.381 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -0.760 -9.909 -9.593 1.00 0.00 H new ATOM 0 HG13 ILE A 3 0.729 -9.447 -10.395 1.00 0.00 H new ATOM 0 HG21 ILE A 3 1.019 -6.626 -10.219 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -0.506 -5.731 -10.425 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -0.086 -6.422 -8.840 1.00 0.00 H new ATOM 0 HD11 ILE A 3 1.077 -9.662 -7.954 1.00 0.00 H new ATOM 0 HD12 ILE A 3 1.324 -7.977 -8.472 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -0.188 -8.446 -7.659 1.00 0.00 H new ATOM 45 N GLU A 4 -2.474 -5.522 -10.543 1.00 0.00 N ATOM 46 CA GLU A 4 -2.907 -4.142 -10.403 1.00 0.00 C ATOM 47 C GLU A 4 -4.345 -4.087 -9.884 1.00 0.00 C ATOM 48 O GLU A 4 -4.633 -3.382 -8.918 1.00 0.00 O ATOM 49 CB GLU A 4 -2.773 -3.389 -11.728 1.00 0.00 C ATOM 50 CG GLU A 4 -3.589 -2.095 -11.708 1.00 0.00 C ATOM 51 CD GLU A 4 -4.811 -2.203 -12.624 1.00 0.00 C ATOM 52 OE1 GLU A 4 -4.668 -2.528 -13.812 1.00 0.00 O ATOM 53 OE2 GLU A 4 -5.940 -1.937 -12.060 1.00 0.00 O ATOM 0 H GLU A 4 -1.972 -5.726 -11.407 1.00 0.00 H new ATOM 0 HA GLU A 4 -2.260 -3.650 -9.676 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -1.724 -3.159 -11.915 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -3.111 -4.024 -12.547 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -3.912 -1.880 -10.689 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -2.963 -1.261 -12.027 1.00 0.00 H new ATOM 61 N GLU A 5 -5.210 -4.839 -10.548 1.00 0.00 N ATOM 62 CA GLU A 5 -6.611 -4.885 -10.166 1.00 0.00 C ATOM 63 C GLU A 5 -6.745 -4.887 -8.642 1.00 0.00 C ATOM 64 O GLU A 5 -7.543 -4.135 -8.084 1.00 0.00 O ATOM 65 CB GLU A 5 -7.307 -6.101 -10.779 1.00 0.00 C ATOM 66 CG GLU A 5 -8.560 -6.474 -9.985 1.00 0.00 C ATOM 67 CD GLU A 5 -9.674 -6.961 -10.914 1.00 0.00 C ATOM 68 OE1 GLU A 5 -9.670 -6.636 -12.110 1.00 0.00 O ATOM 69 OE2 GLU A 5 -10.567 -7.704 -10.352 1.00 0.00 O ATOM 0 H GLU A 5 -4.967 -5.422 -11.349 1.00 0.00 H new ATOM 0 HA GLU A 5 -7.103 -3.993 -10.554 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -7.578 -5.887 -11.813 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -6.619 -6.947 -10.798 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -8.318 -7.253 -9.262 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -8.906 -5.610 -9.418 1.00 0.00 H new ATOM 77 N ARG A 6 -5.952 -5.741 -8.011 1.00 0.00 N ATOM 78 CA ARG A 6 -5.973 -5.851 -6.562 1.00 0.00 C ATOM 79 C ARG A 6 -5.301 -4.631 -5.928 1.00 0.00 C ATOM 80 O ARG A 6 -5.786 -4.101 -4.929 1.00 0.00 O ATOM 81 CB ARG A 6 -5.255 -7.120 -6.096 1.00 0.00 C ATOM 82 CG ARG A 6 -6.013 -8.373 -6.540 1.00 0.00 C ATOM 83 CD ARG A 6 -5.326 -9.639 -6.026 1.00 0.00 C ATOM 84 NE ARG A 6 -6.152 -10.272 -4.973 1.00 0.00 N ATOM 85 CZ ARG A 6 -7.159 -11.136 -5.219 1.00 0.00 C ATOM 86 NH1 ARG A 6 -7.474 -11.480 -6.486 1.00 0.00 N ATOM 87 NH2 ARG A 6 -7.832 -11.641 -4.201 1.00 0.00 N ATOM 0 H ARG A 6 -5.291 -6.363 -8.477 1.00 0.00 H new ATOM 0 HA ARG A 6 -7.015 -5.901 -6.248 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -4.243 -7.140 -6.502 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -5.163 -7.112 -5.010 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -7.037 -8.334 -6.168 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -6.070 -8.402 -7.628 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -5.172 -10.338 -6.848 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -4.342 -9.392 -5.628 1.00 0.00 H new ATOM 0 HE ARG A 6 -5.947 -10.041 -4.001 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -6.949 -11.086 -7.267 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -8.237 -12.134 -6.662 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -7.588 -11.377 -3.247 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -8.596 -12.295 -4.369 1.00 0.00 H new ATOM 100 N VAL A 7 -4.197 -4.222 -6.534 1.00 0.00 N ATOM 101 CA VAL A 7 -3.454 -3.074 -6.041 1.00 0.00 C ATOM 102 C VAL A 7 -4.381 -1.858 -5.983 1.00 0.00 C ATOM 103 O VAL A 7 -4.610 -1.298 -4.913 1.00 0.00 O ATOM 104 CB VAL A 7 -2.215 -2.841 -6.907 1.00 0.00 C ATOM 105 CG1 VAL A 7 -1.367 -1.694 -6.354 1.00 0.00 C ATOM 106 CG2 VAL A 7 -1.388 -4.121 -7.038 1.00 0.00 C ATOM 0 H VAL A 7 -3.798 -4.665 -7.362 1.00 0.00 H new ATOM 0 HA VAL A 7 -3.096 -3.258 -5.028 1.00 0.00 H new ATOM 0 HB VAL A 7 -2.552 -2.557 -7.904 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -0.492 -1.549 -6.988 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -1.959 -0.779 -6.338 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -1.045 -1.935 -5.341 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -0.513 -3.927 -7.659 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -1.066 -4.449 -6.050 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -1.994 -4.900 -7.499 1.00 0.00 H new ATOM 116 N LYS A 8 -4.890 -1.487 -7.149 1.00 0.00 N ATOM 117 CA LYS A 8 -5.787 -0.348 -7.245 1.00 0.00 C ATOM 118 C LYS A 8 -6.846 -0.444 -6.144 1.00 0.00 C ATOM 119 O LYS A 8 -7.185 0.557 -5.515 1.00 0.00 O ATOM 120 CB LYS A 8 -6.373 -0.245 -8.654 1.00 0.00 C ATOM 121 CG LYS A 8 -6.078 1.124 -9.272 1.00 0.00 C ATOM 122 CD LYS A 8 -4.902 1.043 -10.247 1.00 0.00 C ATOM 123 CE LYS A 8 -5.043 2.080 -11.363 1.00 0.00 C ATOM 124 NZ LYS A 8 -6.376 1.978 -12.000 1.00 0.00 N ATOM 0 H LYS A 8 -4.698 -1.955 -8.035 1.00 0.00 H new ATOM 0 HA LYS A 8 -5.241 0.581 -7.083 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -5.955 -1.030 -9.284 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -7.450 -0.407 -8.616 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -6.963 1.490 -9.793 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -5.853 1.842 -8.484 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -3.968 1.206 -9.710 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -4.851 0.043 -10.679 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -4.903 3.082 -10.957 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -4.264 1.928 -12.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -6.304 2.251 -13.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -6.719 0.999 -11.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -7.042 2.613 -11.515 1.00 0.00 H new ATOM 137 N LYS A 9 -7.338 -1.658 -5.945 1.00 0.00 N ATOM 138 CA LYS A 9 -8.351 -1.897 -4.931 1.00 0.00 C ATOM 139 C LYS A 9 -7.780 -1.553 -3.554 1.00 0.00 C ATOM 140 O LYS A 9 -8.258 -0.633 -2.892 1.00 0.00 O ATOM 141 CB LYS A 9 -8.885 -3.327 -5.034 1.00 0.00 C ATOM 142 CG LYS A 9 -10.411 -3.352 -4.928 1.00 0.00 C ATOM 143 CD LYS A 9 -10.856 -3.678 -3.501 1.00 0.00 C ATOM 144 CE LYS A 9 -12.360 -3.458 -3.332 1.00 0.00 C ATOM 145 NZ LYS A 9 -13.121 -4.475 -4.091 1.00 0.00 N ATOM 0 H LYS A 9 -7.054 -2.486 -6.468 1.00 0.00 H new ATOM 0 HA LYS A 9 -9.211 -1.247 -5.092 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -8.576 -3.767 -5.982 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -8.452 -3.938 -4.242 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -10.816 -2.385 -5.227 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -10.815 -4.094 -5.617 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -10.608 -4.713 -3.266 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -10.312 -3.052 -2.794 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -12.625 -3.510 -2.276 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -12.629 -2.460 -3.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -14.140 -4.321 -3.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -12.894 -4.395 -5.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -12.865 -5.424 -3.753 1.00 0.00 H new ATOM 158 N ILE A 10 -6.764 -2.309 -3.164 1.00 0.00 N ATOM 159 CA ILE A 10 -6.122 -2.094 -1.878 1.00 0.00 C ATOM 160 C ILE A 10 -5.810 -0.606 -1.710 1.00 0.00 C ATOM 161 O ILE A 10 -6.080 -0.026 -0.659 1.00 0.00 O ATOM 162 CB ILE A 10 -4.898 -3.000 -1.732 1.00 0.00 C ATOM 163 CG1 ILE A 10 -5.306 -4.474 -1.702 1.00 0.00 C ATOM 164 CG2 ILE A 10 -4.070 -2.610 -0.506 1.00 0.00 C ATOM 165 CD1 ILE A 10 -5.578 -4.939 -0.270 1.00 0.00 C ATOM 0 H ILE A 10 -6.370 -3.071 -3.716 1.00 0.00 H new ATOM 0 HA ILE A 10 -6.794 -2.372 -1.066 1.00 0.00 H new ATOM 0 HB ILE A 10 -4.264 -2.860 -2.607 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -6.198 -4.621 -2.311 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -4.516 -5.083 -2.142 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -3.206 -3.270 -0.426 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -3.731 -1.579 -0.609 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -4.682 -2.703 0.391 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -5.866 -5.990 -0.277 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -4.677 -4.814 0.331 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -6.385 -4.345 0.158 1.00 0.00 H new ATOM 177 N ILE A 11 -5.245 -0.031 -2.761 1.00 0.00 N ATOM 178 CA ILE A 11 -4.893 1.379 -2.743 1.00 0.00 C ATOM 179 C ILE A 11 -6.076 2.189 -2.210 1.00 0.00 C ATOM 180 O ILE A 11 -5.909 3.034 -1.331 1.00 0.00 O ATOM 181 CB ILE A 11 -4.412 1.829 -4.125 1.00 0.00 C ATOM 182 CG1 ILE A 11 -3.129 1.097 -4.524 1.00 0.00 C ATOM 183 CG2 ILE A 11 -4.246 3.349 -4.179 1.00 0.00 C ATOM 184 CD1 ILE A 11 -1.892 1.862 -4.051 1.00 0.00 C ATOM 0 H ILE A 11 -5.022 -0.515 -3.631 1.00 0.00 H new ATOM 0 HA ILE A 11 -4.056 1.554 -2.067 1.00 0.00 H new ATOM 0 HB ILE A 11 -5.175 1.562 -4.856 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -3.128 0.096 -4.093 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -3.096 0.978 -5.607 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -3.904 3.643 -5.171 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -5.203 3.827 -3.969 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -3.513 3.662 -3.435 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -0.994 1.320 -4.347 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -1.883 2.854 -4.503 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -1.916 1.958 -2.965 1.00 0.00 H new ATOM 196 N GLY A 12 -7.245 1.903 -2.763 1.00 0.00 N ATOM 197 CA GLY A 12 -8.456 2.594 -2.354 1.00 0.00 C ATOM 198 C GLY A 12 -8.574 2.638 -0.829 1.00 0.00 C ATOM 199 O GLY A 12 -9.063 3.617 -0.268 1.00 0.00 O ATOM 0 H GLY A 12 -7.380 1.202 -3.491 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -8.452 3.609 -2.751 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -9.326 2.091 -2.775 1.00 0.00 H new ATOM 203 N GLN A 13 -8.117 1.564 -0.201 1.00 0.00 N ATOM 204 CA GLN A 13 -8.165 1.467 1.248 1.00 0.00 C ATOM 205 C GLN A 13 -7.081 2.346 1.875 1.00 0.00 C ATOM 206 O GLN A 13 -7.333 3.041 2.858 1.00 0.00 O ATOM 207 CB GLN A 13 -8.025 0.014 1.705 1.00 0.00 C ATOM 208 CG GLN A 13 -8.873 -0.254 2.950 1.00 0.00 C ATOM 209 CD GLN A 13 -8.018 -0.820 4.085 1.00 0.00 C ATOM 210 OE1 GLN A 13 -6.907 -1.284 3.888 1.00 0.00 O ATOM 211 NE2 GLN A 13 -8.595 -0.755 5.282 1.00 0.00 N ATOM 0 H GLN A 13 -7.712 0.754 -0.669 1.00 0.00 H new ATOM 0 HA GLN A 13 -9.137 1.827 1.585 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -8.332 -0.655 0.901 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -6.979 -0.204 1.919 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -9.350 0.671 3.275 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -9.671 -0.955 2.707 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -9.528 -0.354 5.377 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -8.104 -1.106 6.104 1.00 0.00 H new ATOM 220 N GLN A 14 -5.899 2.286 1.281 1.00 0.00 N ATOM 221 CA GLN A 14 -4.775 3.068 1.769 1.00 0.00 C ATOM 222 C GLN A 14 -5.176 4.538 1.916 1.00 0.00 C ATOM 223 O GLN A 14 -4.597 5.265 2.722 1.00 0.00 O ATOM 224 CB GLN A 14 -3.563 2.920 0.848 1.00 0.00 C ATOM 225 CG GLN A 14 -3.196 1.447 0.656 1.00 0.00 C ATOM 226 CD GLN A 14 -1.753 1.300 0.170 1.00 0.00 C ATOM 227 OE1 GLN A 14 -0.859 2.029 0.567 1.00 0.00 O ATOM 228 NE2 GLN A 14 -1.576 0.319 -0.710 1.00 0.00 N ATOM 0 H GLN A 14 -5.694 1.708 0.466 1.00 0.00 H new ATOM 0 HA GLN A 14 -4.492 2.688 2.751 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -3.779 3.373 -0.119 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -2.714 3.458 1.269 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -3.323 0.911 1.597 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -3.874 0.991 -0.065 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -2.368 -0.255 -1.000 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -0.648 0.140 -1.095 1.00 0.00 H new ATOM 237 N LEU A 15 -6.163 4.931 1.125 1.00 0.00 N ATOM 238 CA LEU A 15 -6.648 6.301 1.157 1.00 0.00 C ATOM 239 C LEU A 15 -8.175 6.295 1.254 1.00 0.00 C ATOM 240 O LEU A 15 -8.731 6.388 2.347 1.00 0.00 O ATOM 241 CB LEU A 15 -6.111 7.087 -0.040 1.00 0.00 C ATOM 242 CG LEU A 15 -5.488 6.256 -1.164 1.00 0.00 C ATOM 243 CD1 LEU A 15 -5.759 6.891 -2.530 1.00 0.00 C ATOM 244 CD2 LEU A 15 -3.993 6.037 -0.920 1.00 0.00 C ATOM 0 H LEU A 15 -6.640 4.325 0.458 1.00 0.00 H new ATOM 0 HA LEU A 15 -6.274 6.817 2.041 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -6.928 7.675 -0.459 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -5.363 7.793 0.320 1.00 0.00 H new ATOM 0 HG LEU A 15 -5.961 5.274 -1.166 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -5.306 6.281 -3.311 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -6.835 6.952 -2.696 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -5.330 7.893 -2.557 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -3.575 5.444 -1.733 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -3.486 7.001 -0.876 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.852 5.510 0.024 1.00 0.00 H new ATOM 256 N GLY A 16 -8.809 6.184 0.096 1.00 0.00 N ATOM 257 CA GLY A 16 -10.261 6.164 0.036 1.00 0.00 C ATOM 258 C GLY A 16 -10.782 7.200 -0.962 1.00 0.00 C ATOM 259 O GLY A 16 -11.226 8.277 -0.569 1.00 0.00 O ATOM 0 H GLY A 16 -8.344 6.107 -0.808 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -10.603 5.170 -0.254 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -10.672 6.367 1.025 1.00 0.00 H new ATOM 263 N VAL A 17 -10.712 6.836 -2.234 1.00 0.00 N ATOM 264 CA VAL A 17 -11.171 7.719 -3.292 1.00 0.00 C ATOM 265 C VAL A 17 -11.682 6.881 -4.465 1.00 0.00 C ATOM 266 O VAL A 17 -11.746 5.656 -4.376 1.00 0.00 O ATOM 267 CB VAL A 17 -10.053 8.685 -3.690 1.00 0.00 C ATOM 268 CG1 VAL A 17 -10.627 10.018 -4.174 1.00 0.00 C ATOM 269 CG2 VAL A 17 -9.074 8.897 -2.533 1.00 0.00 C ATOM 0 H VAL A 17 -10.344 5.941 -2.556 1.00 0.00 H new ATOM 0 HA VAL A 17 -12.003 8.331 -2.943 1.00 0.00 H new ATOM 0 HB VAL A 17 -9.502 8.238 -4.517 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -9.812 10.686 -4.451 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -11.265 9.846 -5.041 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -11.214 10.473 -3.376 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -8.289 9.588 -2.842 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -9.606 9.312 -1.677 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -8.628 7.942 -2.254 1.00 0.00 H new ATOM 279 N LYS A 18 -12.033 7.574 -5.538 1.00 0.00 N ATOM 280 CA LYS A 18 -12.536 6.908 -6.728 1.00 0.00 C ATOM 281 C LYS A 18 -11.369 6.265 -7.479 1.00 0.00 C ATOM 282 O LYS A 18 -10.409 5.804 -6.864 1.00 0.00 O ATOM 283 CB LYS A 18 -13.355 7.881 -7.580 1.00 0.00 C ATOM 284 CG LYS A 18 -14.593 7.194 -8.159 1.00 0.00 C ATOM 285 CD LYS A 18 -15.875 7.784 -7.567 1.00 0.00 C ATOM 286 CE LYS A 18 -17.103 6.992 -8.019 1.00 0.00 C ATOM 287 NZ LYS A 18 -18.345 7.717 -7.668 1.00 0.00 N ATOM 0 H LYS A 18 -11.979 8.590 -5.609 1.00 0.00 H new ATOM 0 HA LYS A 18 -13.221 6.105 -6.455 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -13.658 8.734 -6.974 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -12.738 8.269 -8.390 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -14.603 7.308 -9.243 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -14.551 6.125 -7.951 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -15.814 7.777 -6.479 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -15.976 8.825 -7.874 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -17.062 6.829 -9.096 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -17.103 6.009 -7.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -19.169 7.166 -7.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -18.390 7.850 -6.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -18.350 8.645 -8.138 1.00 0.00 H new ATOM 300 N GLN A 19 -11.491 6.253 -8.798 1.00 0.00 N ATOM 301 CA GLN A 19 -10.458 5.673 -9.640 1.00 0.00 C ATOM 302 C GLN A 19 -9.716 6.772 -10.403 1.00 0.00 C ATOM 303 O GLN A 19 -8.487 6.774 -10.457 1.00 0.00 O ATOM 304 CB GLN A 19 -11.050 4.642 -10.602 1.00 0.00 C ATOM 305 CG GLN A 19 -11.986 5.308 -11.613 1.00 0.00 C ATOM 306 CD GLN A 19 -12.794 4.262 -12.384 1.00 0.00 C ATOM 307 OE1 GLN A 19 -12.315 3.190 -12.714 1.00 0.00 O ATOM 308 NE2 GLN A 19 -14.043 4.633 -12.652 1.00 0.00 N ATOM 0 H GLN A 19 -12.289 6.636 -9.305 1.00 0.00 H new ATOM 0 HA GLN A 19 -9.743 5.156 -9.000 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -10.246 4.128 -11.129 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -11.597 3.886 -10.039 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -12.664 5.986 -11.095 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -11.404 5.910 -12.311 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -14.381 5.546 -12.346 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -14.663 4.005 -13.163 1.00 0.00 H new ATOM 317 N GLU A 20 -10.494 7.681 -10.974 1.00 0.00 N ATOM 318 CA GLU A 20 -9.926 8.783 -11.731 1.00 0.00 C ATOM 319 C GLU A 20 -9.093 9.683 -10.816 1.00 0.00 C ATOM 320 O GLU A 20 -8.251 10.445 -11.288 1.00 0.00 O ATOM 321 CB GLU A 20 -11.020 9.584 -12.439 1.00 0.00 C ATOM 322 CG GLU A 20 -10.971 9.362 -13.952 1.00 0.00 C ATOM 323 CD GLU A 20 -12.193 9.977 -14.637 1.00 0.00 C ATOM 324 OE1 GLU A 20 -12.794 10.921 -14.101 1.00 0.00 O ATOM 325 OE2 GLU A 20 -12.512 9.442 -15.766 1.00 0.00 O ATOM 0 H GLU A 20 -11.513 7.676 -10.927 1.00 0.00 H new ATOM 0 HA GLU A 20 -9.270 8.370 -12.497 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -11.997 9.289 -12.056 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -10.899 10.645 -12.219 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -10.061 9.804 -14.359 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -10.929 8.294 -14.165 1.00 0.00 H new ATOM 333 N GLU A 21 -9.357 9.564 -9.523 1.00 0.00 N ATOM 334 CA GLU A 21 -8.643 10.357 -8.537 1.00 0.00 C ATOM 335 C GLU A 21 -7.376 9.628 -8.086 1.00 0.00 C ATOM 336 O GLU A 21 -6.500 10.225 -7.463 1.00 0.00 O ATOM 337 CB GLU A 21 -9.541 10.687 -7.343 1.00 0.00 C ATOM 338 CG GLU A 21 -10.123 12.096 -7.467 1.00 0.00 C ATOM 339 CD GLU A 21 -9.973 12.868 -6.154 1.00 0.00 C ATOM 340 OE1 GLU A 21 -9.009 12.643 -5.408 1.00 0.00 O ATOM 341 OE2 GLU A 21 -10.904 13.730 -5.920 1.00 0.00 O ATOM 0 H GLU A 21 -10.056 8.930 -9.135 1.00 0.00 H new ATOM 0 HA GLU A 21 -8.351 11.299 -9.000 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -10.350 9.960 -7.280 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -8.968 10.606 -6.419 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -9.617 12.633 -8.269 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -11.177 12.036 -7.739 1.00 0.00 H new ATOM 349 N VAL A 22 -7.319 8.346 -8.418 1.00 0.00 N ATOM 350 CA VAL A 22 -6.174 7.529 -8.054 1.00 0.00 C ATOM 351 C VAL A 22 -5.700 6.749 -9.282 1.00 0.00 C ATOM 352 O VAL A 22 -5.317 5.585 -9.173 1.00 0.00 O ATOM 353 CB VAL A 22 -6.531 6.625 -6.873 1.00 0.00 C ATOM 354 CG1 VAL A 22 -5.279 5.969 -6.287 1.00 0.00 C ATOM 355 CG2 VAL A 22 -7.297 7.401 -5.800 1.00 0.00 C ATOM 0 H VAL A 22 -8.047 7.853 -8.935 1.00 0.00 H new ATOM 0 HA VAL A 22 -5.345 8.156 -7.727 1.00 0.00 H new ATOM 0 HB VAL A 22 -7.183 5.833 -7.242 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -5.561 5.332 -5.449 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -4.791 5.366 -7.053 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -4.592 6.741 -5.941 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -7.538 6.735 -4.972 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -6.681 8.223 -5.436 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -8.218 7.798 -6.226 1.00 0.00 H new ATOM 365 N THR A 23 -5.740 7.421 -10.423 1.00 0.00 N ATOM 366 CA THR A 23 -5.319 6.806 -11.670 1.00 0.00 C ATOM 367 C THR A 23 -4.033 6.004 -11.461 1.00 0.00 C ATOM 368 O THR A 23 -3.359 6.159 -10.444 1.00 0.00 O ATOM 369 CB THR A 23 -5.184 7.910 -12.720 1.00 0.00 C ATOM 370 OG1 THR A 23 -4.183 8.775 -12.188 1.00 0.00 O ATOM 371 CG2 THR A 23 -6.431 8.792 -12.807 1.00 0.00 C ATOM 0 H THR A 23 -6.058 8.386 -10.510 1.00 0.00 H new ATOM 0 HA THR A 23 -6.058 6.088 -12.027 1.00 0.00 H new ATOM 0 HB THR A 23 -4.988 7.462 -13.694 1.00 0.00 H new ATOM 0 HG1 THR A 23 -4.031 9.519 -12.807 1.00 0.00 H new ATOM 0 HG21 THR A 23 -6.282 9.559 -13.567 1.00 0.00 H new ATOM 0 HG22 THR A 23 -7.292 8.179 -13.074 1.00 0.00 H new ATOM 0 HG23 THR A 23 -6.609 9.267 -11.842 1.00 0.00 H new ATOM 379 N ASN A 24 -3.731 5.165 -12.441 1.00 0.00 N ATOM 380 CA ASN A 24 -2.537 4.339 -12.378 1.00 0.00 C ATOM 381 C ASN A 24 -1.320 5.228 -12.116 1.00 0.00 C ATOM 382 O ASN A 24 -0.423 4.852 -11.363 1.00 0.00 O ATOM 383 CB ASN A 24 -2.308 3.601 -13.698 1.00 0.00 C ATOM 384 CG ASN A 24 -3.597 2.936 -14.186 1.00 0.00 C ATOM 385 OD1 ASN A 24 -4.659 3.535 -14.222 1.00 0.00 O ATOM 386 ND2 ASN A 24 -3.444 1.669 -14.559 1.00 0.00 N ATOM 0 H ASN A 24 -4.293 5.039 -13.283 1.00 0.00 H new ATOM 0 HA ASN A 24 -2.672 3.612 -11.577 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -1.948 4.301 -14.452 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -1.532 2.846 -13.567 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -4.245 1.138 -14.901 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -2.526 1.228 -14.503 1.00 0.00 H new ATOM 393 N ASN A 25 -1.329 6.391 -12.751 1.00 0.00 N ATOM 394 CA ASN A 25 -0.237 7.337 -12.596 1.00 0.00 C ATOM 395 C ASN A 25 -0.594 8.347 -11.503 1.00 0.00 C ATOM 396 O ASN A 25 -0.211 9.513 -11.582 1.00 0.00 O ATOM 397 CB ASN A 25 0.010 8.110 -13.892 1.00 0.00 C ATOM 398 CG ASN A 25 1.426 7.863 -14.417 1.00 0.00 C ATOM 399 OD1 ASN A 25 1.736 6.825 -14.978 1.00 0.00 O ATOM 400 ND2 ASN A 25 2.266 8.872 -14.203 1.00 0.00 N ATOM 0 H ASN A 25 -2.075 6.700 -13.374 1.00 0.00 H new ATOM 0 HA ASN A 25 0.660 6.776 -12.334 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -0.718 7.808 -14.644 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -0.136 9.176 -13.717 1.00 0.00 H new ATOM 0 HD21 ASN A 25 3.235 8.804 -14.515 1.00 0.00 H new ATOM 0 HD22 ASN A 25 1.941 9.714 -13.727 1.00 0.00 H new ATOM 407 N ALA A 26 -1.323 7.862 -10.509 1.00 0.00 N ATOM 408 CA ALA A 26 -1.736 8.708 -9.402 1.00 0.00 C ATOM 409 C ALA A 26 -0.507 9.101 -8.581 1.00 0.00 C ATOM 410 O ALA A 26 0.466 8.351 -8.515 1.00 0.00 O ATOM 411 CB ALA A 26 -2.788 7.976 -8.565 1.00 0.00 C ATOM 0 H ALA A 26 -1.638 6.894 -10.447 1.00 0.00 H new ATOM 0 HA ALA A 26 -2.194 9.626 -9.770 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -3.098 8.610 -7.735 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -3.652 7.745 -9.188 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -2.364 7.050 -8.176 1.00 0.00 H new ATOM 417 N SER A 27 -0.592 10.276 -7.974 1.00 0.00 N ATOM 418 CA SER A 27 0.502 10.777 -7.159 1.00 0.00 C ATOM 419 C SER A 27 0.180 10.585 -5.676 1.00 0.00 C ATOM 420 O SER A 27 -0.858 10.022 -5.330 1.00 0.00 O ATOM 421 CB SER A 27 0.777 12.253 -7.455 1.00 0.00 C ATOM 422 OG SER A 27 -0.216 12.821 -8.305 1.00 0.00 O ATOM 0 H SER A 27 -1.401 10.895 -8.030 1.00 0.00 H new ATOM 0 HA SER A 27 1.400 10.211 -7.406 1.00 0.00 H new ATOM 0 HB2 SER A 27 0.814 12.810 -6.519 1.00 0.00 H new ATOM 0 HB3 SER A 27 1.756 12.352 -7.924 1.00 0.00 H new ATOM 0 HG SER A 27 -0.006 13.764 -8.469 1.00 0.00 H new ATOM 428 N PHE A 28 1.090 11.063 -4.839 1.00 0.00 N ATOM 429 CA PHE A 28 0.916 10.950 -3.401 1.00 0.00 C ATOM 430 C PHE A 28 1.067 12.313 -2.722 1.00 0.00 C ATOM 431 O PHE A 28 0.117 12.824 -2.130 1.00 0.00 O ATOM 432 CB PHE A 28 2.013 10.014 -2.889 1.00 0.00 C ATOM 433 CG PHE A 28 1.601 8.542 -2.838 1.00 0.00 C ATOM 434 CD1 PHE A 28 1.116 7.932 -3.953 1.00 0.00 C ATOM 435 CD2 PHE A 28 1.719 7.843 -1.677 1.00 0.00 C ATOM 436 CE1 PHE A 28 0.733 6.565 -3.905 1.00 0.00 C ATOM 437 CE2 PHE A 28 1.337 6.476 -1.629 1.00 0.00 C ATOM 438 CZ PHE A 28 0.852 5.866 -2.744 1.00 0.00 C ATOM 0 H PHE A 28 1.950 11.529 -5.129 1.00 0.00 H new ATOM 0 HA PHE A 28 -0.080 10.570 -3.176 1.00 0.00 H new ATOM 0 HB2 PHE A 28 2.889 10.113 -3.530 1.00 0.00 H new ATOM 0 HB3 PHE A 28 2.311 10.332 -1.890 1.00 0.00 H new ATOM 0 HD1 PHE A 28 1.022 8.487 -4.875 1.00 0.00 H new ATOM 0 HD2 PHE A 28 2.103 8.328 -0.792 1.00 0.00 H new ATOM 0 HE1 PHE A 28 0.347 6.081 -4.790 1.00 0.00 H new ATOM 0 HE2 PHE A 28 1.432 5.921 -0.707 1.00 0.00 H new ATOM 0 HZ PHE A 28 0.561 4.826 -2.708 1.00 0.00 H new ATOM 448 N VAL A 29 2.268 12.862 -2.830 1.00 0.00 N ATOM 449 CA VAL A 29 2.555 14.156 -2.234 1.00 0.00 C ATOM 450 C VAL A 29 1.732 15.233 -2.943 1.00 0.00 C ATOM 451 O VAL A 29 1.569 16.336 -2.423 1.00 0.00 O ATOM 452 CB VAL A 29 4.060 14.428 -2.276 1.00 0.00 C ATOM 453 CG1 VAL A 29 4.399 15.741 -1.568 1.00 0.00 C ATOM 454 CG2 VAL A 29 4.846 13.262 -1.674 1.00 0.00 C ATOM 0 H VAL A 29 3.053 12.435 -3.321 1.00 0.00 H new ATOM 0 HA VAL A 29 2.266 14.166 -1.183 1.00 0.00 H new ATOM 0 HB VAL A 29 4.354 14.525 -3.321 1.00 0.00 H new ATOM 0 HG11 VAL A 29 5.475 15.911 -1.612 1.00 0.00 H new ATOM 0 HG12 VAL A 29 3.881 16.564 -2.060 1.00 0.00 H new ATOM 0 HG13 VAL A 29 4.083 15.685 -0.526 1.00 0.00 H new ATOM 0 HG21 VAL A 29 5.913 13.482 -1.717 1.00 0.00 H new ATOM 0 HG22 VAL A 29 4.546 13.119 -0.636 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.640 12.354 -2.240 1.00 0.00 H new ATOM 464 N GLU A 30 1.236 14.876 -4.118 1.00 0.00 N ATOM 465 CA GLU A 30 0.434 15.799 -4.904 1.00 0.00 C ATOM 466 C GLU A 30 -1.032 15.362 -4.902 1.00 0.00 C ATOM 467 O GLU A 30 -1.933 16.199 -4.924 1.00 0.00 O ATOM 468 CB GLU A 30 0.971 15.914 -6.332 1.00 0.00 C ATOM 469 CG GLU A 30 1.681 17.252 -6.545 1.00 0.00 C ATOM 470 CD GLU A 30 0.872 18.159 -7.475 1.00 0.00 C ATOM 471 OE1 GLU A 30 -0.301 18.448 -7.193 1.00 0.00 O ATOM 472 OE2 GLU A 30 1.504 18.569 -8.522 1.00 0.00 O ATOM 0 H GLU A 30 1.374 13.960 -4.545 1.00 0.00 H new ATOM 0 HA GLU A 30 0.499 16.786 -4.447 1.00 0.00 H new ATOM 0 HB2 GLU A 30 1.663 15.096 -6.531 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.150 15.817 -7.042 1.00 0.00 H new ATOM 0 HG2 GLU A 30 1.828 17.747 -5.585 1.00 0.00 H new ATOM 0 HG3 GLU A 30 2.670 17.080 -6.969 1.00 0.00 H new ATOM 480 N ASP A 31 -1.225 14.051 -4.877 1.00 0.00 N ATOM 481 CA ASP A 31 -2.567 13.493 -4.872 1.00 0.00 C ATOM 482 C ASP A 31 -3.097 13.462 -3.438 1.00 0.00 C ATOM 483 O ASP A 31 -4.031 14.189 -3.102 1.00 0.00 O ATOM 484 CB ASP A 31 -2.568 12.060 -5.408 1.00 0.00 C ATOM 485 CG ASP A 31 -3.846 11.644 -6.140 1.00 0.00 C ATOM 486 OD1 ASP A 31 -3.803 11.198 -7.296 1.00 0.00 O ATOM 487 OD2 ASP A 31 -4.935 11.796 -5.465 1.00 0.00 O ATOM 0 H ASP A 31 -0.475 13.360 -4.860 1.00 0.00 H new ATOM 0 HA ASP A 31 -3.195 14.117 -5.508 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -1.723 11.941 -6.087 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -2.406 11.376 -4.575 1.00 0.00 H new ATOM 493 N LEU A 32 -2.478 12.614 -2.630 1.00 0.00 N ATOM 494 CA LEU A 32 -2.877 12.479 -1.239 1.00 0.00 C ATOM 495 C LEU A 32 -1.944 13.318 -0.362 1.00 0.00 C ATOM 496 O LEU A 32 -1.714 12.987 0.800 1.00 0.00 O ATOM 497 CB LEU A 32 -2.935 11.004 -0.839 1.00 0.00 C ATOM 498 CG LEU A 32 -4.255 10.284 -1.123 1.00 0.00 C ATOM 499 CD1 LEU A 32 -5.313 10.647 -0.079 1.00 0.00 C ATOM 500 CD2 LEU A 32 -4.736 10.563 -2.548 1.00 0.00 C ATOM 0 H LEU A 32 -1.703 12.014 -2.912 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.886 12.865 -1.093 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -2.136 10.475 -1.359 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -2.725 10.929 0.228 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.082 9.211 -1.046 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -6.241 10.122 -0.304 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.962 10.356 0.911 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.490 11.722 -0.099 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.676 10.040 -2.724 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -4.888 11.635 -2.678 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -3.988 10.214 -3.260 1.00 0.00 H new ATOM 512 N GLY A 33 -1.432 14.388 -0.953 1.00 0.00 N ATOM 513 CA GLY A 33 -0.530 15.276 -0.241 1.00 0.00 C ATOM 514 C GLY A 33 0.411 14.486 0.671 1.00 0.00 C ATOM 515 O GLY A 33 0.852 14.991 1.702 1.00 0.00 O ATOM 0 H GLY A 33 -1.625 14.660 -1.917 1.00 0.00 H new ATOM 0 HA2 GLY A 33 0.053 15.857 -0.955 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -1.106 15.986 0.352 1.00 0.00 H new ATOM 519 N ALA A 34 0.691 13.258 0.258 1.00 0.00 N ATOM 520 CA ALA A 34 1.571 12.393 1.025 1.00 0.00 C ATOM 521 C ALA A 34 1.119 12.379 2.487 1.00 0.00 C ATOM 522 O ALA A 34 1.538 13.223 3.278 1.00 0.00 O ATOM 523 CB ALA A 34 3.017 12.866 0.866 1.00 0.00 C ATOM 0 H ALA A 34 0.324 12.842 -0.598 1.00 0.00 H new ATOM 0 HA ALA A 34 1.520 11.369 0.655 1.00 0.00 H new ATOM 0 HB1 ALA A 34 3.677 12.217 1.441 1.00 0.00 H new ATOM 0 HB2 ALA A 34 3.298 12.829 -0.186 1.00 0.00 H new ATOM 0 HB3 ALA A 34 3.107 13.890 1.230 1.00 0.00 H new ATOM 529 N ASP A 35 0.270 11.412 2.801 1.00 0.00 N ATOM 530 CA ASP A 35 -0.243 11.277 4.154 1.00 0.00 C ATOM 531 C ASP A 35 0.484 10.130 4.859 1.00 0.00 C ATOM 532 O ASP A 35 1.050 9.255 4.205 1.00 0.00 O ATOM 533 CB ASP A 35 -1.739 10.955 4.146 1.00 0.00 C ATOM 534 CG ASP A 35 -2.526 11.507 5.336 1.00 0.00 C ATOM 535 OD1 ASP A 35 -2.372 11.041 6.475 1.00 0.00 O ATOM 536 OD2 ASP A 35 -3.336 12.470 5.054 1.00 0.00 O ATOM 0 H ASP A 35 -0.076 10.714 2.142 1.00 0.00 H new ATOM 0 HA ASP A 35 -0.080 12.222 4.672 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -2.175 11.348 3.228 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -1.862 9.872 4.119 1.00 0.00 H new ATOM 542 N SER A 36 0.444 10.171 6.182 1.00 0.00 N ATOM 543 CA SER A 36 1.092 9.146 6.983 1.00 0.00 C ATOM 544 C SER A 36 0.396 7.800 6.772 1.00 0.00 C ATOM 545 O SER A 36 1.046 6.802 6.464 1.00 0.00 O ATOM 546 CB SER A 36 1.086 9.520 8.466 1.00 0.00 C ATOM 547 OG SER A 36 2.403 9.577 9.008 1.00 0.00 O ATOM 0 H SER A 36 -0.027 10.898 6.720 1.00 0.00 H new ATOM 0 HA SER A 36 2.130 9.066 6.661 1.00 0.00 H new ATOM 0 HB2 SER A 36 0.599 10.487 8.594 1.00 0.00 H new ATOM 0 HB3 SER A 36 0.497 8.790 9.021 1.00 0.00 H new ATOM 0 HG SER A 36 2.356 9.821 9.956 1.00 0.00 H new ATOM 553 N LEU A 37 -0.917 7.815 6.946 1.00 0.00 N ATOM 554 CA LEU A 37 -1.709 6.608 6.778 1.00 0.00 C ATOM 555 C LEU A 37 -1.397 5.983 5.417 1.00 0.00 C ATOM 556 O LEU A 37 -1.503 4.770 5.247 1.00 0.00 O ATOM 557 CB LEU A 37 -3.194 6.907 6.992 1.00 0.00 C ATOM 558 CG LEU A 37 -3.557 7.592 8.311 1.00 0.00 C ATOM 559 CD1 LEU A 37 -5.028 8.012 8.323 1.00 0.00 C ATOM 560 CD2 LEU A 37 -3.205 6.704 9.506 1.00 0.00 C ATOM 0 H LEU A 37 -1.453 8.644 7.202 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.444 5.870 7.536 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -3.539 7.536 6.172 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -3.746 5.969 6.929 1.00 0.00 H new ATOM 0 HG LEU A 37 -2.961 8.501 8.399 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -5.260 8.496 9.271 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -5.214 8.708 7.505 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -5.659 7.131 8.201 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -3.473 7.215 10.431 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -3.756 5.766 9.437 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -2.135 6.497 9.503 1.00 0.00 H new ATOM 572 N ASP A 38 -1.018 6.841 4.481 1.00 0.00 N ATOM 573 CA ASP A 38 -0.690 6.389 3.140 1.00 0.00 C ATOM 574 C ASP A 38 0.633 5.620 3.175 1.00 0.00 C ATOM 575 O ASP A 38 0.684 4.450 2.800 1.00 0.00 O ATOM 576 CB ASP A 38 -0.523 7.573 2.185 1.00 0.00 C ATOM 577 CG ASP A 38 -1.542 7.633 1.045 1.00 0.00 C ATOM 578 OD1 ASP A 38 -1.442 6.888 0.059 1.00 0.00 O ATOM 579 OD2 ASP A 38 -2.484 8.501 1.201 1.00 0.00 O ATOM 0 H ASP A 38 -0.931 7.847 4.625 1.00 0.00 H new ATOM 0 HA ASP A 38 -1.504 5.755 2.789 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -0.589 8.497 2.760 1.00 0.00 H new ATOM 0 HB3 ASP A 38 0.478 7.536 1.756 1.00 0.00 H new ATOM 585 N THR A 39 1.670 6.310 3.628 1.00 0.00 N ATOM 586 CA THR A 39 2.988 5.706 3.717 1.00 0.00 C ATOM 587 C THR A 39 2.967 4.518 4.680 1.00 0.00 C ATOM 588 O THR A 39 3.789 3.609 4.569 1.00 0.00 O ATOM 589 CB THR A 39 3.982 6.798 4.119 1.00 0.00 C ATOM 590 OG1 THR A 39 4.051 7.644 2.975 1.00 0.00 O ATOM 591 CG2 THR A 39 5.407 6.264 4.275 1.00 0.00 C ATOM 0 H THR A 39 1.624 7.281 3.937 1.00 0.00 H new ATOM 0 HA THR A 39 3.302 5.298 2.756 1.00 0.00 H new ATOM 0 HB THR A 39 3.661 7.254 5.056 1.00 0.00 H new ATOM 0 HG1 THR A 39 4.673 8.381 3.150 1.00 0.00 H new ATOM 0 HG21 THR A 39 6.072 7.079 4.561 1.00 0.00 H new ATOM 0 HG22 THR A 39 5.425 5.494 5.046 1.00 0.00 H new ATOM 0 HG23 THR A 39 5.741 5.838 3.329 1.00 0.00 H new ATOM 599 N VAL A 40 2.019 4.564 5.605 1.00 0.00 N ATOM 600 CA VAL A 40 1.881 3.503 6.587 1.00 0.00 C ATOM 601 C VAL A 40 1.040 2.370 5.994 1.00 0.00 C ATOM 602 O VAL A 40 1.375 1.197 6.149 1.00 0.00 O ATOM 603 CB VAL A 40 1.296 4.064 7.885 1.00 0.00 C ATOM 604 CG1 VAL A 40 0.960 2.939 8.867 1.00 0.00 C ATOM 605 CG2 VAL A 40 2.247 5.080 8.520 1.00 0.00 C ATOM 0 H VAL A 40 1.340 5.319 5.695 1.00 0.00 H new ATOM 0 HA VAL A 40 2.857 3.087 6.838 1.00 0.00 H new ATOM 0 HB VAL A 40 0.369 4.581 7.639 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.546 3.365 9.781 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.229 2.268 8.416 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.866 2.381 9.105 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.808 5.463 9.441 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.198 4.597 8.745 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.414 5.905 7.827 1.00 0.00 H new ATOM 615 N GLU A 41 -0.035 2.762 5.326 1.00 0.00 N ATOM 616 CA GLU A 41 -0.926 1.795 4.708 1.00 0.00 C ATOM 617 C GLU A 41 -0.173 0.975 3.657 1.00 0.00 C ATOM 618 O GLU A 41 -0.558 -0.152 3.351 1.00 0.00 O ATOM 619 CB GLU A 41 -2.145 2.486 4.094 1.00 0.00 C ATOM 620 CG GLU A 41 -3.191 2.805 5.164 1.00 0.00 C ATOM 621 CD GLU A 41 -4.422 1.910 5.011 1.00 0.00 C ATOM 622 OE1 GLU A 41 -5.555 2.377 5.197 1.00 0.00 O ATOM 623 OE2 GLU A 41 -4.170 0.687 4.685 1.00 0.00 O ATOM 0 H GLU A 41 -0.309 3.736 5.199 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.286 1.116 5.481 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.835 3.406 3.598 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -2.585 1.845 3.330 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -2.757 2.667 6.154 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -3.486 3.852 5.089 1.00 0.00 H new ATOM 631 N LEU A 42 0.887 1.574 3.134 1.00 0.00 N ATOM 632 CA LEU A 42 1.697 0.913 2.125 1.00 0.00 C ATOM 633 C LEU A 42 2.644 -0.077 2.805 1.00 0.00 C ATOM 634 O LEU A 42 3.192 -0.965 2.153 1.00 0.00 O ATOM 635 CB LEU A 42 2.411 1.946 1.251 1.00 0.00 C ATOM 636 CG LEU A 42 2.386 1.683 -0.256 1.00 0.00 C ATOM 637 CD1 LEU A 42 1.484 2.689 -0.974 1.00 0.00 C ATOM 638 CD2 LEU A 42 3.802 1.668 -0.834 1.00 0.00 C ATOM 0 H LEU A 42 1.203 2.509 3.390 1.00 0.00 H new ATOM 0 HA LEU A 42 1.067 0.337 1.448 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.962 2.922 1.437 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.451 2.007 1.572 1.00 0.00 H new ATOM 0 HG LEU A 42 1.960 0.693 -0.422 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.484 2.479 -2.044 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.468 2.606 -0.588 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.856 3.699 -0.802 1.00 0.00 H new ATOM 0 HD21 LEU A 42 3.755 1.479 -1.906 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.278 2.632 -0.656 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.383 0.882 -0.352 1.00 0.00 H new ATOM 650 N VAL A 43 2.809 0.109 4.106 1.00 0.00 N ATOM 651 CA VAL A 43 3.681 -0.757 4.882 1.00 0.00 C ATOM 652 C VAL A 43 2.861 -1.913 5.459 1.00 0.00 C ATOM 653 O VAL A 43 3.415 -2.949 5.826 1.00 0.00 O ATOM 654 CB VAL A 43 4.406 0.056 5.955 1.00 0.00 C ATOM 655 CG1 VAL A 43 5.490 -0.781 6.638 1.00 0.00 C ATOM 656 CG2 VAL A 43 4.994 1.340 5.366 1.00 0.00 C ATOM 0 H VAL A 43 2.354 0.847 4.643 1.00 0.00 H new ATOM 0 HA VAL A 43 4.453 -1.191 4.246 1.00 0.00 H new ATOM 0 HB VAL A 43 3.675 0.339 6.712 1.00 0.00 H new ATOM 0 HG11 VAL A 43 5.990 -0.179 7.397 1.00 0.00 H new ATOM 0 HG12 VAL A 43 5.034 -1.652 7.108 1.00 0.00 H new ATOM 0 HG13 VAL A 43 6.218 -1.108 5.896 1.00 0.00 H new ATOM 0 HG21 VAL A 43 5.504 1.900 6.150 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.705 1.087 4.579 1.00 0.00 H new ATOM 0 HG23 VAL A 43 4.192 1.949 4.948 1.00 0.00 H new ATOM 666 N MET A 44 1.555 -1.697 5.522 1.00 0.00 N ATOM 667 CA MET A 44 0.654 -2.708 6.049 1.00 0.00 C ATOM 668 C MET A 44 -0.130 -3.384 4.922 1.00 0.00 C ATOM 669 O MET A 44 -0.364 -4.591 4.961 1.00 0.00 O ATOM 670 CB MET A 44 -0.321 -2.060 7.033 1.00 0.00 C ATOM 671 CG MET A 44 0.409 -1.564 8.283 1.00 0.00 C ATOM 672 SD MET A 44 -0.719 -0.661 9.331 1.00 0.00 S ATOM 673 CE MET A 44 -0.287 -1.353 10.919 1.00 0.00 C ATOM 0 H MET A 44 1.099 -0.837 5.217 1.00 0.00 H new ATOM 0 HA MET A 44 1.247 -3.467 6.559 1.00 0.00 H new ATOM 0 HB2 MET A 44 -0.830 -1.226 6.550 1.00 0.00 H new ATOM 0 HB3 MET A 44 -1.088 -2.780 7.317 1.00 0.00 H new ATOM 0 HG2 MET A 44 0.828 -2.409 8.829 1.00 0.00 H new ATOM 0 HG3 MET A 44 1.244 -0.924 7.997 1.00 0.00 H new ATOM 0 HE1 MET A 44 -0.902 -0.896 11.694 1.00 0.00 H new ATOM 0 HE2 MET A 44 -0.460 -2.429 10.906 1.00 0.00 H new ATOM 0 HE3 MET A 44 0.765 -1.157 11.127 1.00 0.00 H new ATOM 683 N ALA A 45 -0.515 -2.576 3.945 1.00 0.00 N ATOM 684 CA ALA A 45 -1.268 -3.081 2.810 1.00 0.00 C ATOM 685 C ALA A 45 -0.374 -4.004 1.980 1.00 0.00 C ATOM 686 O ALA A 45 -0.786 -5.101 1.605 1.00 0.00 O ATOM 687 CB ALA A 45 -1.811 -1.906 1.994 1.00 0.00 C ATOM 0 H ALA A 45 -0.319 -1.575 3.916 1.00 0.00 H new ATOM 0 HA ALA A 45 -2.123 -3.667 3.147 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -2.376 -2.285 1.142 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -2.463 -1.298 2.621 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -0.981 -1.297 1.637 1.00 0.00 H new ATOM 693 N LEU A 46 0.833 -3.526 1.717 1.00 0.00 N ATOM 694 CA LEU A 46 1.789 -4.294 0.938 1.00 0.00 C ATOM 695 C LEU A 46 2.267 -5.491 1.762 1.00 0.00 C ATOM 696 O LEU A 46 2.571 -6.548 1.210 1.00 0.00 O ATOM 697 CB LEU A 46 2.924 -3.395 0.444 1.00 0.00 C ATOM 698 CG LEU A 46 2.515 -2.245 -0.479 1.00 0.00 C ATOM 699 CD1 LEU A 46 3.742 -1.596 -1.123 1.00 0.00 C ATOM 700 CD2 LEU A 46 1.500 -2.714 -1.523 1.00 0.00 C ATOM 0 H LEU A 46 1.171 -2.616 2.030 1.00 0.00 H new ATOM 0 HA LEU A 46 1.316 -4.692 0.040 1.00 0.00 H new ATOM 0 HB2 LEU A 46 3.432 -2.975 1.312 1.00 0.00 H new ATOM 0 HB3 LEU A 46 3.650 -4.016 -0.081 1.00 0.00 H new ATOM 0 HG LEU A 46 2.026 -1.480 0.124 1.00 0.00 H new ATOM 0 HD11 LEU A 46 3.423 -0.782 -1.774 1.00 0.00 H new ATOM 0 HD12 LEU A 46 4.397 -1.203 -0.345 1.00 0.00 H new ATOM 0 HD13 LEU A 46 4.281 -2.340 -1.710 1.00 0.00 H new ATOM 0 HD21 LEU A 46 1.226 -1.877 -2.166 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.940 -3.507 -2.127 1.00 0.00 H new ATOM 0 HD23 LEU A 46 0.610 -3.092 -1.021 1.00 0.00 H new ATOM 712 N GLU A 47 2.319 -5.286 3.070 1.00 0.00 N ATOM 713 CA GLU A 47 2.755 -6.335 3.976 1.00 0.00 C ATOM 714 C GLU A 47 1.672 -7.408 4.105 1.00 0.00 C ATOM 715 O GLU A 47 1.948 -8.596 3.941 1.00 0.00 O ATOM 716 CB GLU A 47 3.122 -5.759 5.345 1.00 0.00 C ATOM 717 CG GLU A 47 4.574 -5.277 5.365 1.00 0.00 C ATOM 718 CD GLU A 47 4.903 -4.476 4.104 1.00 0.00 C ATOM 719 OE1 GLU A 47 5.070 -3.249 4.175 1.00 0.00 O ATOM 720 OE2 GLU A 47 4.985 -5.172 3.021 1.00 0.00 O ATOM 0 H GLU A 47 2.066 -4.408 3.524 1.00 0.00 H new ATOM 0 HA GLU A 47 3.650 -6.798 3.561 1.00 0.00 H new ATOM 0 HB2 GLU A 47 2.456 -4.930 5.585 1.00 0.00 H new ATOM 0 HB3 GLU A 47 2.976 -6.518 6.114 1.00 0.00 H new ATOM 0 HG2 GLU A 47 4.744 -4.660 6.247 1.00 0.00 H new ATOM 0 HG3 GLU A 47 5.244 -6.133 5.441 1.00 0.00 H new ATOM 728 N GLU A 48 0.463 -6.952 4.398 1.00 0.00 N ATOM 729 CA GLU A 48 -0.662 -7.859 4.551 1.00 0.00 C ATOM 730 C GLU A 48 -0.888 -8.647 3.259 1.00 0.00 C ATOM 731 O GLU A 48 -1.638 -9.622 3.245 1.00 0.00 O ATOM 732 CB GLU A 48 -1.926 -7.100 4.959 1.00 0.00 C ATOM 733 CG GLU A 48 -2.865 -7.994 5.771 1.00 0.00 C ATOM 734 CD GLU A 48 -4.105 -8.370 4.958 1.00 0.00 C ATOM 735 OE1 GLU A 48 -4.486 -7.636 4.034 1.00 0.00 O ATOM 736 OE2 GLU A 48 -4.677 -9.470 5.314 1.00 0.00 O ATOM 0 H GLU A 48 0.238 -5.966 4.534 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.429 -8.565 5.348 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.654 -6.223 5.547 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.441 -6.739 4.069 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -2.338 -8.898 6.076 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -3.166 -7.478 6.682 1.00 0.00 H new ATOM 744 N GLU A 49 -0.226 -8.195 2.204 1.00 0.00 N ATOM 745 CA GLU A 49 -0.345 -8.845 0.910 1.00 0.00 C ATOM 746 C GLU A 49 0.710 -9.944 0.769 1.00 0.00 C ATOM 747 O GLU A 49 0.389 -11.130 0.835 1.00 0.00 O ATOM 748 CB GLU A 49 -0.233 -7.829 -0.227 1.00 0.00 C ATOM 749 CG GLU A 49 -1.190 -8.176 -1.369 1.00 0.00 C ATOM 750 CD GLU A 49 -2.646 -7.982 -0.943 1.00 0.00 C ATOM 751 OE1 GLU A 49 -3.091 -6.839 -0.756 1.00 0.00 O ATOM 752 OE2 GLU A 49 -3.324 -9.071 -0.807 1.00 0.00 O ATOM 0 H GLU A 49 0.395 -7.386 2.219 1.00 0.00 H new ATOM 0 HA GLU A 49 -1.331 -9.305 0.846 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -0.457 -6.831 0.149 1.00 0.00 H new ATOM 0 HB3 GLU A 49 0.791 -7.807 -0.600 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -0.974 -7.548 -2.233 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -1.033 -9.209 -1.679 1.00 0.00 H new ATOM 760 N PHE A 50 1.947 -9.511 0.579 1.00 0.00 N ATOM 761 CA PHE A 50 3.052 -10.444 0.428 1.00 0.00 C ATOM 762 C PHE A 50 3.972 -10.406 1.650 1.00 0.00 C ATOM 763 O PHE A 50 4.869 -11.237 1.781 1.00 0.00 O ATOM 764 CB PHE A 50 3.843 -10.004 -0.805 1.00 0.00 C ATOM 765 CG PHE A 50 3.609 -10.878 -2.039 1.00 0.00 C ATOM 766 CD1 PHE A 50 4.338 -12.013 -2.217 1.00 0.00 C ATOM 767 CD2 PHE A 50 2.673 -10.521 -2.958 1.00 0.00 C ATOM 768 CE1 PHE A 50 4.121 -12.824 -3.361 1.00 0.00 C ATOM 769 CE2 PHE A 50 2.456 -11.332 -4.103 1.00 0.00 C ATOM 770 CZ PHE A 50 3.185 -12.467 -4.281 1.00 0.00 C ATOM 0 H PHE A 50 2.209 -8.527 0.526 1.00 0.00 H new ATOM 0 HA PHE A 50 2.670 -11.460 0.325 1.00 0.00 H new ATOM 0 HB2 PHE A 50 3.578 -8.975 -1.046 1.00 0.00 H new ATOM 0 HB3 PHE A 50 4.906 -10.011 -0.564 1.00 0.00 H new ATOM 0 HD1 PHE A 50 5.082 -12.297 -1.487 1.00 0.00 H new ATOM 0 HD2 PHE A 50 2.094 -9.620 -2.817 1.00 0.00 H new ATOM 0 HE1 PHE A 50 4.699 -13.725 -3.501 1.00 0.00 H new ATOM 0 HE2 PHE A 50 1.712 -11.048 -4.833 1.00 0.00 H new ATOM 0 HZ PHE A 50 3.021 -13.084 -5.152 1.00 0.00 H new ATOM 780 N ASP A 51 3.716 -9.434 2.513 1.00 0.00 N ATOM 781 CA ASP A 51 4.510 -9.277 3.720 1.00 0.00 C ATOM 782 C ASP A 51 5.942 -8.897 3.337 1.00 0.00 C ATOM 783 O ASP A 51 6.758 -9.765 3.032 1.00 0.00 O ATOM 784 CB ASP A 51 4.565 -10.582 4.517 1.00 0.00 C ATOM 785 CG ASP A 51 5.887 -10.842 5.242 1.00 0.00 C ATOM 786 OD1 ASP A 51 6.608 -11.801 4.930 1.00 0.00 O ATOM 787 OD2 ASP A 51 6.170 -10.000 6.177 1.00 0.00 O ATOM 0 H ASP A 51 2.970 -8.747 2.401 1.00 0.00 H new ATOM 0 HA ASP A 51 4.047 -8.501 4.330 1.00 0.00 H new ATOM 0 HB2 ASP A 51 3.760 -10.575 5.252 1.00 0.00 H new ATOM 0 HB3 ASP A 51 4.370 -11.413 3.839 1.00 0.00 H new ATOM 793 N THR A 52 6.203 -7.598 3.366 1.00 0.00 N ATOM 794 CA THR A 52 7.522 -7.092 3.026 1.00 0.00 C ATOM 795 C THR A 52 7.675 -5.645 3.497 1.00 0.00 C ATOM 796 O THR A 52 7.846 -4.738 2.683 1.00 0.00 O ATOM 797 CB THR A 52 7.721 -7.265 1.519 1.00 0.00 C ATOM 798 OG1 THR A 52 9.106 -6.996 1.318 1.00 0.00 O ATOM 799 CG2 THR A 52 7.009 -6.182 0.706 1.00 0.00 C ATOM 0 H THR A 52 5.523 -6.881 3.620 1.00 0.00 H new ATOM 0 HA THR A 52 8.305 -7.652 3.538 1.00 0.00 H new ATOM 0 HB THR A 52 7.355 -8.246 1.215 1.00 0.00 H new ATOM 0 HG1 THR A 52 9.322 -7.087 0.367 1.00 0.00 H new ATOM 0 HG21 THR A 52 7.183 -6.352 -0.357 1.00 0.00 H new ATOM 0 HG22 THR A 52 5.939 -6.219 0.909 1.00 0.00 H new ATOM 0 HG23 THR A 52 7.398 -5.203 0.985 1.00 0.00 H new ATOM 807 N GLU A 53 7.609 -5.472 4.809 1.00 0.00 N ATOM 808 CA GLU A 53 7.739 -4.150 5.398 1.00 0.00 C ATOM 809 C GLU A 53 8.536 -3.232 4.469 1.00 0.00 C ATOM 810 O GLU A 53 9.744 -3.399 4.312 1.00 0.00 O ATOM 811 CB GLU A 53 8.386 -4.228 6.781 1.00 0.00 C ATOM 812 CG GLU A 53 9.611 -5.145 6.763 1.00 0.00 C ATOM 813 CD GLU A 53 10.478 -4.926 8.005 1.00 0.00 C ATOM 814 OE1 GLU A 53 9.947 -4.816 9.120 1.00 0.00 O ATOM 815 OE2 GLU A 53 11.747 -4.873 7.781 1.00 0.00 O ATOM 0 H GLU A 53 7.467 -6.226 5.481 1.00 0.00 H new ATOM 0 HA GLU A 53 6.742 -3.729 5.524 1.00 0.00 H new ATOM 0 HB2 GLU A 53 8.679 -3.230 7.106 1.00 0.00 H new ATOM 0 HB3 GLU A 53 7.661 -4.599 7.505 1.00 0.00 H new ATOM 0 HG2 GLU A 53 9.290 -6.186 6.718 1.00 0.00 H new ATOM 0 HG3 GLU A 53 10.200 -4.954 5.866 1.00 0.00 H new ATOM 823 N ILE A 54 7.827 -2.281 3.878 1.00 0.00 N ATOM 824 CA ILE A 54 8.453 -1.336 2.970 1.00 0.00 C ATOM 825 C ILE A 54 9.100 -0.209 3.779 1.00 0.00 C ATOM 826 O ILE A 54 8.510 0.290 4.736 1.00 0.00 O ATOM 827 CB ILE A 54 7.445 -0.844 1.929 1.00 0.00 C ATOM 828 CG1 ILE A 54 8.150 -0.104 0.790 1.00 0.00 C ATOM 829 CG2 ILE A 54 6.356 0.010 2.581 1.00 0.00 C ATOM 830 CD1 ILE A 54 7.156 0.292 -0.303 1.00 0.00 C ATOM 0 H ILE A 54 6.825 -2.145 4.011 1.00 0.00 H new ATOM 0 HA ILE A 54 9.249 -1.822 2.405 1.00 0.00 H new ATOM 0 HB ILE A 54 6.953 -1.713 1.492 1.00 0.00 H new ATOM 0 HG12 ILE A 54 8.642 0.787 1.180 1.00 0.00 H new ATOM 0 HG13 ILE A 54 8.929 -0.738 0.366 1.00 0.00 H new ATOM 0 HG21 ILE A 54 5.653 0.347 1.819 1.00 0.00 H new ATOM 0 HG22 ILE A 54 5.827 -0.583 3.327 1.00 0.00 H new ATOM 0 HG23 ILE A 54 6.812 0.875 3.062 1.00 0.00 H new ATOM 0 HD11 ILE A 54 7.682 0.816 -1.101 1.00 0.00 H new ATOM 0 HD12 ILE A 54 6.684 -0.603 -0.707 1.00 0.00 H new ATOM 0 HD13 ILE A 54 6.393 0.946 0.119 1.00 0.00 H new ATOM 842 N PRO A 55 10.336 0.167 3.354 1.00 0.00 N ATOM 843 CA PRO A 55 11.069 1.225 4.029 1.00 0.00 C ATOM 844 C PRO A 55 10.493 2.599 3.681 1.00 0.00 C ATOM 845 O PRO A 55 9.468 2.694 3.007 1.00 0.00 O ATOM 846 CB PRO A 55 12.510 1.054 3.578 1.00 0.00 C ATOM 847 CG PRO A 55 12.455 0.207 2.317 1.00 0.00 C ATOM 848 CD PRO A 55 11.065 -0.402 2.225 1.00 0.00 C ATOM 0 HA PRO A 55 10.995 1.162 5.115 1.00 0.00 H new ATOM 0 HB2 PRO A 55 12.974 2.020 3.380 1.00 0.00 H new ATOM 0 HB3 PRO A 55 13.106 0.567 4.350 1.00 0.00 H new ATOM 0 HG2 PRO A 55 12.663 0.817 1.438 1.00 0.00 H new ATOM 0 HG3 PRO A 55 13.213 -0.575 2.349 1.00 0.00 H new ATOM 0 HD2 PRO A 55 10.586 -0.153 1.278 1.00 0.00 H new ATOM 0 HD3 PRO A 55 11.104 -1.490 2.286 1.00 0.00 H new ATOM 856 N ASP A 56 11.177 3.629 4.156 1.00 0.00 N ATOM 857 CA ASP A 56 10.746 4.994 3.903 1.00 0.00 C ATOM 858 C ASP A 56 11.423 5.511 2.632 1.00 0.00 C ATOM 859 O ASP A 56 11.004 6.521 2.069 1.00 0.00 O ATOM 860 CB ASP A 56 11.139 5.918 5.058 1.00 0.00 C ATOM 861 CG ASP A 56 10.002 6.778 5.613 1.00 0.00 C ATOM 862 OD1 ASP A 56 9.577 7.759 4.985 1.00 0.00 O ATOM 863 OD2 ASP A 56 9.542 6.400 6.758 1.00 0.00 O ATOM 0 H ASP A 56 12.026 3.546 4.715 1.00 0.00 H new ATOM 0 HA ASP A 56 9.661 4.991 3.796 1.00 0.00 H new ATOM 0 HB2 ASP A 56 11.544 5.311 5.868 1.00 0.00 H new ATOM 0 HB3 ASP A 56 11.941 6.575 4.721 1.00 0.00 H new ATOM 869 N GLU A 57 12.458 4.795 2.218 1.00 0.00 N ATOM 870 CA GLU A 57 13.197 5.169 1.024 1.00 0.00 C ATOM 871 C GLU A 57 12.456 4.697 -0.228 1.00 0.00 C ATOM 872 O GLU A 57 12.210 5.483 -1.142 1.00 0.00 O ATOM 873 CB GLU A 57 14.621 4.610 1.063 1.00 0.00 C ATOM 874 CG GLU A 57 15.551 5.533 1.852 1.00 0.00 C ATOM 875 CD GLU A 57 16.874 4.835 2.172 1.00 0.00 C ATOM 876 OE1 GLU A 57 16.921 3.598 2.243 1.00 0.00 O ATOM 877 OE2 GLU A 57 17.879 5.624 2.349 1.00 0.00 O ATOM 0 H GLU A 57 12.802 3.958 2.688 1.00 0.00 H new ATOM 0 HA GLU A 57 13.270 6.256 0.991 1.00 0.00 H new ATOM 0 HB2 GLU A 57 14.614 3.619 1.518 1.00 0.00 H new ATOM 0 HB3 GLU A 57 14.997 4.491 0.047 1.00 0.00 H new ATOM 0 HG2 GLU A 57 15.743 6.439 1.277 1.00 0.00 H new ATOM 0 HG3 GLU A 57 15.065 5.840 2.778 1.00 0.00 H new ATOM 885 N GLU A 58 12.121 3.415 -0.231 1.00 0.00 N ATOM 886 CA GLU A 58 11.414 2.829 -1.356 1.00 0.00 C ATOM 887 C GLU A 58 10.086 3.555 -1.585 1.00 0.00 C ATOM 888 O GLU A 58 9.528 3.504 -2.680 1.00 0.00 O ATOM 889 CB GLU A 58 11.189 1.330 -1.142 1.00 0.00 C ATOM 890 CG GLU A 58 12.137 0.504 -2.013 1.00 0.00 C ATOM 891 CD GLU A 58 12.282 -0.919 -1.469 1.00 0.00 C ATOM 892 OE1 GLU A 58 11.280 -1.639 -1.343 1.00 0.00 O ATOM 893 OE2 GLU A 58 13.487 -1.270 -1.173 1.00 0.00 O ATOM 0 H GLU A 58 12.326 2.766 0.528 1.00 0.00 H new ATOM 0 HA GLU A 58 12.029 2.947 -2.248 1.00 0.00 H new ATOM 0 HB2 GLU A 58 11.344 1.081 -0.092 1.00 0.00 H new ATOM 0 HB3 GLU A 58 10.156 1.076 -1.380 1.00 0.00 H new ATOM 0 HG2 GLU A 58 11.760 0.470 -3.035 1.00 0.00 H new ATOM 0 HG3 GLU A 58 13.115 0.985 -2.050 1.00 0.00 H new ATOM 901 N ALA A 59 9.620 4.214 -0.534 1.00 0.00 N ATOM 902 CA ALA A 59 8.369 4.949 -0.607 1.00 0.00 C ATOM 903 C ALA A 59 8.466 6.004 -1.711 1.00 0.00 C ATOM 904 O ALA A 59 7.528 6.187 -2.484 1.00 0.00 O ATOM 905 CB ALA A 59 8.057 5.562 0.759 1.00 0.00 C ATOM 0 H ALA A 59 10.086 4.254 0.372 1.00 0.00 H new ATOM 0 HA ALA A 59 7.546 4.281 -0.861 1.00 0.00 H new ATOM 0 HB1 ALA A 59 7.118 6.114 0.704 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.969 4.769 1.502 1.00 0.00 H new ATOM 0 HB3 ALA A 59 8.860 6.241 1.045 1.00 0.00 H new ATOM 911 N GLU A 60 9.611 6.671 -1.749 1.00 0.00 N ATOM 912 CA GLU A 60 9.843 7.703 -2.746 1.00 0.00 C ATOM 913 C GLU A 60 9.697 7.123 -4.154 1.00 0.00 C ATOM 914 O GLU A 60 9.043 7.718 -5.009 1.00 0.00 O ATOM 915 CB GLU A 60 11.218 8.347 -2.558 1.00 0.00 C ATOM 916 CG GLU A 60 11.104 9.871 -2.486 1.00 0.00 C ATOM 917 CD GLU A 60 12.442 10.503 -2.095 1.00 0.00 C ATOM 918 OE1 GLU A 60 13.273 9.846 -1.450 1.00 0.00 O ATOM 919 OE2 GLU A 60 12.605 11.721 -2.487 1.00 0.00 O ATOM 0 H GLU A 60 10.387 6.517 -1.106 1.00 0.00 H new ATOM 0 HA GLU A 60 9.092 8.482 -2.616 1.00 0.00 H new ATOM 0 HB2 GLU A 60 11.679 7.970 -1.645 1.00 0.00 H new ATOM 0 HB3 GLU A 60 11.871 8.066 -3.384 1.00 0.00 H new ATOM 0 HG2 GLU A 60 10.782 10.261 -3.451 1.00 0.00 H new ATOM 0 HG3 GLU A 60 10.341 10.148 -1.759 1.00 0.00 H new ATOM 927 N LYS A 61 10.316 5.969 -4.352 1.00 0.00 N ATOM 928 CA LYS A 61 10.263 5.302 -5.642 1.00 0.00 C ATOM 929 C LYS A 61 8.870 4.703 -5.844 1.00 0.00 C ATOM 930 O LYS A 61 8.571 4.166 -6.910 1.00 0.00 O ATOM 931 CB LYS A 61 11.396 4.281 -5.764 1.00 0.00 C ATOM 932 CG LYS A 61 12.186 4.491 -7.058 1.00 0.00 C ATOM 933 CD LYS A 61 12.377 3.169 -7.804 1.00 0.00 C ATOM 934 CE LYS A 61 13.784 3.073 -8.398 1.00 0.00 C ATOM 935 NZ LYS A 61 14.172 1.657 -8.586 1.00 0.00 N ATOM 0 H LYS A 61 10.857 5.478 -3.640 1.00 0.00 H new ATOM 0 HA LYS A 61 10.422 6.018 -6.448 1.00 0.00 H new ATOM 0 HB2 LYS A 61 12.064 4.370 -4.907 1.00 0.00 H new ATOM 0 HB3 LYS A 61 10.985 3.272 -5.744 1.00 0.00 H new ATOM 0 HG2 LYS A 61 11.662 5.201 -7.697 1.00 0.00 H new ATOM 0 HG3 LYS A 61 13.158 4.927 -6.828 1.00 0.00 H new ATOM 0 HD2 LYS A 61 12.208 2.335 -7.123 1.00 0.00 H new ATOM 0 HD3 LYS A 61 11.636 3.086 -8.599 1.00 0.00 H new ATOM 0 HE2 LYS A 61 13.818 3.595 -9.354 1.00 0.00 H new ATOM 0 HE3 LYS A 61 14.498 3.567 -7.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 15.129 1.610 -8.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 14.159 1.169 -7.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 13.501 1.196 -9.233 1.00 0.00 H new ATOM 948 N ILE A 62 8.056 4.814 -4.805 1.00 0.00 N ATOM 949 CA ILE A 62 6.702 4.290 -4.856 1.00 0.00 C ATOM 950 C ILE A 62 5.720 5.385 -4.437 1.00 0.00 C ATOM 951 O ILE A 62 4.664 5.096 -3.876 1.00 0.00 O ATOM 952 CB ILE A 62 6.591 3.012 -4.021 1.00 0.00 C ATOM 953 CG1 ILE A 62 7.727 2.042 -4.350 1.00 0.00 C ATOM 954 CG2 ILE A 62 5.216 2.364 -4.191 1.00 0.00 C ATOM 955 CD1 ILE A 62 7.902 1.005 -3.239 1.00 0.00 C ATOM 0 H ILE A 62 8.308 5.259 -3.923 1.00 0.00 H new ATOM 0 HA ILE A 62 6.443 4.002 -5.875 1.00 0.00 H new ATOM 0 HB ILE A 62 6.692 3.281 -2.970 1.00 0.00 H new ATOM 0 HG12 ILE A 62 7.517 1.538 -5.293 1.00 0.00 H new ATOM 0 HG13 ILE A 62 8.656 2.596 -4.484 1.00 0.00 H new ATOM 0 HG21 ILE A 62 5.164 1.458 -3.587 1.00 0.00 H new ATOM 0 HG22 ILE A 62 4.443 3.061 -3.867 1.00 0.00 H new ATOM 0 HG23 ILE A 62 5.060 2.111 -5.240 1.00 0.00 H new ATOM 0 HD11 ILE A 62 8.716 0.328 -3.498 1.00 0.00 H new ATOM 0 HD12 ILE A 62 8.135 1.511 -2.302 1.00 0.00 H new ATOM 0 HD13 ILE A 62 6.979 0.436 -3.124 1.00 0.00 H new ATOM 967 N THR A 63 6.102 6.621 -4.725 1.00 0.00 N ATOM 968 CA THR A 63 5.268 7.761 -4.385 1.00 0.00 C ATOM 969 C THR A 63 4.056 7.831 -5.317 1.00 0.00 C ATOM 970 O THR A 63 3.200 8.701 -5.163 1.00 0.00 O ATOM 971 CB THR A 63 6.142 9.016 -4.429 1.00 0.00 C ATOM 972 OG1 THR A 63 5.242 10.076 -4.120 1.00 0.00 O ATOM 973 CG2 THR A 63 6.629 9.341 -5.843 1.00 0.00 C ATOM 0 H THR A 63 6.978 6.858 -5.190 1.00 0.00 H new ATOM 0 HA THR A 63 4.860 7.667 -3.379 1.00 0.00 H new ATOM 0 HB THR A 63 7.001 8.884 -3.771 1.00 0.00 H new ATOM 0 HG1 THR A 63 5.726 10.928 -4.125 1.00 0.00 H new ATOM 0 HG21 THR A 63 7.245 10.240 -5.818 1.00 0.00 H new ATOM 0 HG22 THR A 63 7.219 8.508 -6.225 1.00 0.00 H new ATOM 0 HG23 THR A 63 5.771 9.507 -6.494 1.00 0.00 H new ATOM 981 N THR A 64 4.022 6.904 -6.263 1.00 0.00 N ATOM 982 CA THR A 64 2.929 6.850 -7.219 1.00 0.00 C ATOM 983 C THR A 64 2.003 5.674 -6.904 1.00 0.00 C ATOM 984 O THR A 64 2.046 5.121 -5.806 1.00 0.00 O ATOM 985 CB THR A 64 3.533 6.789 -8.623 1.00 0.00 C ATOM 986 OG1 THR A 64 4.384 5.647 -8.586 1.00 0.00 O ATOM 987 CG2 THR A 64 4.485 7.954 -8.903 1.00 0.00 C ATOM 0 H THR A 64 4.734 6.184 -6.388 1.00 0.00 H new ATOM 0 HA THR A 64 2.304 7.741 -7.157 1.00 0.00 H new ATOM 0 HB THR A 64 2.732 6.789 -9.362 1.00 0.00 H new ATOM 0 HG1 THR A 64 5.135 5.779 -9.202 1.00 0.00 H new ATOM 0 HG21 THR A 64 4.885 7.862 -9.913 1.00 0.00 H new ATOM 0 HG22 THR A 64 3.944 8.896 -8.811 1.00 0.00 H new ATOM 0 HG23 THR A 64 5.305 7.935 -8.185 1.00 0.00 H new ATOM 995 N VAL A 65 1.186 5.326 -7.887 1.00 0.00 N ATOM 996 CA VAL A 65 0.250 4.225 -7.729 1.00 0.00 C ATOM 997 C VAL A 65 0.733 3.029 -8.552 1.00 0.00 C ATOM 998 O VAL A 65 0.874 1.926 -8.026 1.00 0.00 O ATOM 999 CB VAL A 65 -1.161 4.680 -8.106 1.00 0.00 C ATOM 1000 CG1 VAL A 65 -1.982 3.515 -8.663 1.00 0.00 C ATOM 1001 CG2 VAL A 65 -1.866 5.326 -6.912 1.00 0.00 C ATOM 0 H VAL A 65 1.152 5.787 -8.796 1.00 0.00 H new ATOM 0 HA VAL A 65 0.207 3.906 -6.687 1.00 0.00 H new ATOM 0 HB VAL A 65 -1.072 5.432 -8.890 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -2.981 3.865 -8.923 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -1.493 3.118 -9.553 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -2.057 2.730 -7.910 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -2.867 5.640 -7.207 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -1.937 4.605 -6.098 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -1.297 6.194 -6.579 1.00 0.00 H new ATOM 1011 N GLN A 66 0.973 3.288 -9.829 1.00 0.00 N ATOM 1012 CA GLN A 66 1.437 2.246 -10.729 1.00 0.00 C ATOM 1013 C GLN A 66 2.724 1.616 -10.194 1.00 0.00 C ATOM 1014 O GLN A 66 3.112 0.529 -10.620 1.00 0.00 O ATOM 1015 CB GLN A 66 1.641 2.794 -12.143 1.00 0.00 C ATOM 1016 CG GLN A 66 1.908 1.662 -13.136 1.00 0.00 C ATOM 1017 CD GLN A 66 0.680 1.398 -14.010 1.00 0.00 C ATOM 1018 OE1 GLN A 66 0.260 2.225 -14.802 1.00 0.00 O ATOM 1019 NE2 GLN A 66 0.130 0.201 -13.823 1.00 0.00 N ATOM 0 H GLN A 66 0.855 4.204 -10.262 1.00 0.00 H new ATOM 0 HA GLN A 66 0.672 1.471 -10.782 1.00 0.00 H new ATOM 0 HB2 GLN A 66 0.757 3.352 -12.452 1.00 0.00 H new ATOM 0 HB3 GLN A 66 2.478 3.493 -12.149 1.00 0.00 H new ATOM 0 HG2 GLN A 66 2.759 1.920 -13.767 1.00 0.00 H new ATOM 0 HG3 GLN A 66 2.176 0.754 -12.595 1.00 0.00 H new ATOM 0 HE21 GLN A 66 0.532 -0.444 -13.143 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -0.694 -0.071 -14.359 1.00 0.00 H new ATOM 1028 N ALA A 67 3.351 2.325 -9.267 1.00 0.00 N ATOM 1029 CA ALA A 67 4.587 1.849 -8.669 1.00 0.00 C ATOM 1030 C ALA A 67 4.282 0.659 -7.758 1.00 0.00 C ATOM 1031 O ALA A 67 5.122 -0.222 -7.579 1.00 0.00 O ATOM 1032 CB ALA A 67 5.267 2.997 -7.920 1.00 0.00 C ATOM 0 H ALA A 67 3.026 3.226 -8.915 1.00 0.00 H new ATOM 0 HA ALA A 67 5.279 1.507 -9.439 1.00 0.00 H new ATOM 0 HB1 ALA A 67 6.194 2.640 -7.471 1.00 0.00 H new ATOM 0 HB2 ALA A 67 5.489 3.805 -8.617 1.00 0.00 H new ATOM 0 HB3 ALA A 67 4.603 3.365 -7.137 1.00 0.00 H new ATOM 1038 N ALA A 68 3.078 0.670 -7.206 1.00 0.00 N ATOM 1039 CA ALA A 68 2.651 -0.398 -6.318 1.00 0.00 C ATOM 1040 C ALA A 68 2.077 -1.548 -7.149 1.00 0.00 C ATOM 1041 O ALA A 68 1.550 -2.513 -6.598 1.00 0.00 O ATOM 1042 CB ALA A 68 1.643 0.150 -5.306 1.00 0.00 C ATOM 0 H ALA A 68 2.384 1.402 -7.357 1.00 0.00 H new ATOM 0 HA ALA A 68 3.498 -0.789 -5.754 1.00 0.00 H new ATOM 0 HB1 ALA A 68 1.323 -0.652 -4.640 1.00 0.00 H new ATOM 0 HB2 ALA A 68 2.109 0.943 -4.721 1.00 0.00 H new ATOM 0 HB3 ALA A 68 0.778 0.550 -5.834 1.00 0.00 H new ATOM 1048 N ILE A 69 2.199 -1.406 -8.460 1.00 0.00 N ATOM 1049 CA ILE A 69 1.699 -2.420 -9.372 1.00 0.00 C ATOM 1050 C ILE A 69 2.878 -3.094 -10.076 1.00 0.00 C ATOM 1051 O ILE A 69 2.772 -4.237 -10.516 1.00 0.00 O ATOM 1052 CB ILE A 69 0.672 -1.817 -10.334 1.00 0.00 C ATOM 1053 CG1 ILE A 69 -0.690 -1.661 -9.654 1.00 0.00 C ATOM 1054 CG2 ILE A 69 0.579 -2.638 -11.622 1.00 0.00 C ATOM 1055 CD1 ILE A 69 -0.929 -0.209 -9.233 1.00 0.00 C ATOM 0 H ILE A 69 2.637 -0.604 -8.913 1.00 0.00 H new ATOM 0 HA ILE A 69 1.169 -3.198 -8.822 1.00 0.00 H new ATOM 0 HB ILE A 69 1.009 -0.819 -10.612 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -1.479 -1.981 -10.335 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -0.741 -2.310 -8.780 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -0.157 -2.188 -12.288 1.00 0.00 H new ATOM 0 HG22 ILE A 69 1.551 -2.654 -12.114 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.277 -3.658 -11.383 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -1.904 -0.125 -8.752 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -0.152 0.100 -8.534 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -0.902 0.434 -10.113 1.00 0.00 H new ATOM 1067 N ASP A 70 3.976 -2.356 -10.159 1.00 0.00 N ATOM 1068 CA ASP A 70 5.174 -2.868 -10.802 1.00 0.00 C ATOM 1069 C ASP A 70 6.025 -3.610 -9.768 1.00 0.00 C ATOM 1070 O ASP A 70 6.670 -4.606 -10.090 1.00 0.00 O ATOM 1071 CB ASP A 70 6.019 -1.730 -11.379 1.00 0.00 C ATOM 1072 CG ASP A 70 5.655 -1.315 -12.806 1.00 0.00 C ATOM 1073 OD1 ASP A 70 4.623 -0.668 -13.039 1.00 0.00 O ATOM 1074 OD2 ASP A 70 6.493 -1.688 -13.713 1.00 0.00 O ATOM 0 H ASP A 70 4.061 -1.408 -9.792 1.00 0.00 H new ATOM 0 HA ASP A 70 4.866 -3.533 -11.608 1.00 0.00 H new ATOM 0 HB2 ASP A 70 5.924 -0.861 -10.728 1.00 0.00 H new ATOM 0 HB3 ASP A 70 7.067 -2.030 -11.360 1.00 0.00 H new ATOM 1080 N TYR A 71 5.997 -3.096 -8.548 1.00 0.00 N ATOM 1081 CA TYR A 71 6.757 -3.697 -7.465 1.00 0.00 C ATOM 1082 C TYR A 71 6.072 -4.965 -6.952 1.00 0.00 C ATOM 1083 O TYR A 71 6.738 -5.938 -6.604 1.00 0.00 O ATOM 1084 CB TYR A 71 6.787 -2.658 -6.343 1.00 0.00 C ATOM 1085 CG TYR A 71 8.132 -2.562 -5.619 1.00 0.00 C ATOM 1086 CD1 TYR A 71 9.182 -1.881 -6.202 1.00 0.00 C ATOM 1087 CD2 TYR A 71 8.295 -3.156 -4.384 1.00 0.00 C ATOM 1088 CE1 TYR A 71 10.447 -1.790 -5.521 1.00 0.00 C ATOM 1089 CE2 TYR A 71 9.561 -3.065 -3.704 1.00 0.00 C ATOM 1090 CZ TYR A 71 10.574 -2.387 -4.305 1.00 0.00 C ATOM 1091 OH TYR A 71 11.770 -2.301 -3.662 1.00 0.00 O ATOM 0 H TYR A 71 5.460 -2.270 -8.285 1.00 0.00 H new ATOM 0 HA TYR A 71 7.755 -3.974 -7.805 1.00 0.00 H new ATOM 0 HB2 TYR A 71 6.540 -1.681 -6.759 1.00 0.00 H new ATOM 0 HB3 TYR A 71 6.011 -2.900 -5.616 1.00 0.00 H new ATOM 0 HD1 TYR A 71 9.054 -1.417 -7.169 1.00 0.00 H new ATOM 0 HD2 TYR A 71 7.474 -3.689 -3.928 1.00 0.00 H new ATOM 0 HE1 TYR A 71 11.276 -1.260 -5.965 1.00 0.00 H new ATOM 0 HE2 TYR A 71 9.702 -3.526 -2.737 1.00 0.00 H new ATOM 0 HH TYR A 71 11.672 -2.629 -2.744 1.00 0.00 H new ATOM 1101 N ILE A 72 4.748 -4.913 -6.922 1.00 0.00 N ATOM 1102 CA ILE A 72 3.965 -6.045 -6.457 1.00 0.00 C ATOM 1103 C ILE A 72 3.978 -7.141 -7.525 1.00 0.00 C ATOM 1104 O ILE A 72 3.945 -8.327 -7.202 1.00 0.00 O ATOM 1105 CB ILE A 72 2.559 -5.595 -6.055 1.00 0.00 C ATOM 1106 CG1 ILE A 72 2.612 -4.612 -4.884 1.00 0.00 C ATOM 1107 CG2 ILE A 72 1.663 -6.798 -5.754 1.00 0.00 C ATOM 1108 CD1 ILE A 72 3.649 -5.049 -3.848 1.00 0.00 C ATOM 0 H ILE A 72 4.198 -4.104 -7.212 1.00 0.00 H new ATOM 0 HA ILE A 72 4.408 -6.471 -5.557 1.00 0.00 H new ATOM 0 HB ILE A 72 2.115 -5.067 -6.899 1.00 0.00 H new ATOM 0 HG12 ILE A 72 2.858 -3.616 -5.252 1.00 0.00 H new ATOM 0 HG13 ILE A 72 1.630 -4.546 -4.415 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.670 -6.450 -5.471 1.00 0.00 H new ATOM 0 HG22 ILE A 72 1.588 -7.427 -6.641 1.00 0.00 H new ATOM 0 HG23 ILE A 72 2.092 -7.375 -4.935 1.00 0.00 H new ATOM 0 HD11 ILE A 72 3.666 -4.333 -3.026 1.00 0.00 H new ATOM 0 HD12 ILE A 72 3.387 -6.035 -3.465 1.00 0.00 H new ATOM 0 HD13 ILE A 72 4.634 -5.091 -4.314 1.00 0.00 H new ATOM 1120 N ASN A 73 4.026 -6.705 -8.775 1.00 0.00 N ATOM 1121 CA ASN A 73 4.043 -7.634 -9.892 1.00 0.00 C ATOM 1122 C ASN A 73 5.226 -8.591 -9.734 1.00 0.00 C ATOM 1123 O ASN A 73 5.271 -9.639 -10.377 1.00 0.00 O ATOM 1124 CB ASN A 73 4.208 -6.894 -11.221 1.00 0.00 C ATOM 1125 CG ASN A 73 3.121 -7.307 -12.216 1.00 0.00 C ATOM 1126 OD1 ASN A 73 2.077 -6.485 -12.249 1.00 0.00 O flip ATOM 1127 ND2 ASN A 73 3.225 -8.307 -12.908 1.00 0.00 N flip ATOM 0 H ASN A 73 4.054 -5.720 -9.039 1.00 0.00 H new ATOM 0 HA ASN A 73 3.097 -8.175 -9.896 1.00 0.00 H new ATOM 0 HB2 ASN A 73 4.161 -5.818 -11.051 1.00 0.00 H new ATOM 0 HB3 ASN A 73 5.191 -7.108 -11.641 1.00 0.00 H new ATOM 0 HD21 ASN A 73 4.055 -8.895 -12.833 1.00 0.00 H new ATOM 0 HD22 ASN A 73 2.482 -8.554 -13.562 1.00 0.00 H new ATOM 1134 N GLY A 74 6.155 -8.198 -8.875 1.00 0.00 N ATOM 1135 CA GLY A 74 7.334 -9.008 -8.625 1.00 0.00 C ATOM 1136 C GLY A 74 6.989 -10.498 -8.638 1.00 0.00 C ATOM 1137 O GLY A 74 7.821 -11.329 -9.000 1.00 0.00 O ATOM 0 H GLY A 74 6.115 -7.329 -8.343 1.00 0.00 H new ATOM 0 HA2 GLY A 74 8.090 -8.800 -9.382 1.00 0.00 H new ATOM 0 HA3 GLY A 74 7.766 -8.740 -7.661 1.00 0.00 H new ATOM 1141 N HIS A 75 5.760 -10.792 -8.240 1.00 0.00 N ATOM 1142 CA HIS A 75 5.294 -12.168 -8.202 1.00 0.00 C ATOM 1143 C HIS A 75 5.637 -12.862 -9.522 1.00 0.00 C ATOM 1144 O HIS A 75 5.909 -14.062 -9.544 1.00 0.00 O ATOM 1145 CB HIS A 75 3.801 -12.227 -7.872 1.00 0.00 C ATOM 1146 CG HIS A 75 2.922 -12.548 -9.057 1.00 0.00 C ATOM 1147 ND1 HIS A 75 3.075 -13.696 -9.815 1.00 0.00 N ATOM 1148 CD2 HIS A 75 1.880 -11.861 -9.606 1.00 0.00 C ATOM 1149 CE1 HIS A 75 2.162 -13.689 -10.775 1.00 0.00 C ATOM 1150 NE2 HIS A 75 1.422 -12.550 -10.643 1.00 0.00 N ATOM 0 H HIS A 75 5.072 -10.101 -7.941 1.00 0.00 H new ATOM 0 HA HIS A 75 5.805 -12.707 -7.404 1.00 0.00 H new ATOM 0 HB2 HIS A 75 3.640 -12.978 -7.099 1.00 0.00 H new ATOM 0 HB3 HIS A 75 3.494 -11.268 -7.454 1.00 0.00 H new ATOM 0 HD1 HIS A 75 3.773 -14.424 -9.661 1.00 0.00 H new ATOM 0 HD2 HIS A 75 1.493 -10.916 -9.256 1.00 0.00 H new ATOM 0 HE1 HIS A 75 2.027 -14.450 -11.529 1.00 0.00 H new ATOM 1158 N GLN A 76 5.614 -12.079 -10.590 1.00 0.00 N ATOM 1159 CA GLN A 76 5.919 -12.603 -11.910 1.00 0.00 C ATOM 1160 C GLN A 76 7.110 -13.562 -11.838 1.00 0.00 C ATOM 1161 O GLN A 76 7.184 -14.524 -12.600 1.00 0.00 O ATOM 1162 CB GLN A 76 6.187 -11.470 -12.902 1.00 0.00 C ATOM 1163 CG GLN A 76 7.154 -10.442 -12.312 1.00 0.00 C ATOM 1164 CD GLN A 76 6.688 -9.015 -12.611 1.00 0.00 C ATOM 1165 OE1 GLN A 76 5.818 -8.779 -13.432 1.00 0.00 O ATOM 1166 NE2 GLN A 76 7.314 -8.081 -11.901 1.00 0.00 N ATOM 0 H GLN A 76 5.389 -11.084 -10.568 1.00 0.00 H new ATOM 0 HA GLN A 76 5.052 -13.157 -12.269 1.00 0.00 H new ATOM 0 HB2 GLN A 76 6.603 -11.879 -13.823 1.00 0.00 H new ATOM 0 HB3 GLN A 76 5.248 -10.982 -13.165 1.00 0.00 H new ATOM 0 HG2 GLN A 76 7.229 -10.585 -11.234 1.00 0.00 H new ATOM 0 HG3 GLN A 76 8.151 -10.597 -12.725 1.00 0.00 H new ATOM 0 HE21 GLN A 76 8.034 -8.348 -11.229 1.00 0.00 H new ATOM 0 HE22 GLN A 76 7.074 -7.098 -12.028 1.00 0.00 H new