USER MOD reduce.3.24.130724 H: found=0, std=0, add=604, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 605 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 Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= -0.0746 K(o=-0.075,f=-1.3) USER MOD Single : A 18 THR OG1 : rot -170:sc= 0.725 USER MOD Single : A 20 SER OG : rot 46:sc= 0.0625 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= -6.54! C(o=-6.5!,f=-6.8!) USER MOD Single : A 30 ASN : amide:sc= -1.16 K(o=-1.2,f=-3.4!) USER MOD Single : A 34 THR OG1 : rot 108:sc= 0.956 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= -0.191 K(o=-0.19,f=-1.2!) USER MOD Single : A 50 GLN : amide:sc= -1.37 K(o=-1.4,f=-2.5!) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -0.0117 K(o=-0.012,f=-0.66) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot -160:sc= -1.34 USER MOD Single : A 71 ASN : amide:sc= -4.53! C(o=-4.5!,f=-5!) USER MOD Single : A 72 LYS NZ :NH3+ -149:sc= -0.0545 (180deg=-0.599) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN : amide:sc=-0.00588 X(o=-0.0059,f=0) USER MOD Single : A 81 GLN : amide:sc= -2.16 K(o=-2.2,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 23 N GLU A 4 3.339 -14.816 6.171 1.00 0.00 N ATOM 24 CA GLU A 4 4.066 -13.652 6.648 1.00 0.00 C ATOM 25 C GLU A 4 4.826 -12.992 5.495 1.00 0.00 C ATOM 26 O GLU A 4 5.317 -11.872 5.631 1.00 0.00 O ATOM 27 CB GLU A 4 5.016 -14.027 7.787 1.00 0.00 C ATOM 28 CG GLU A 4 6.116 -14.970 7.295 1.00 0.00 C ATOM 29 CD GLU A 4 5.859 -16.404 7.761 1.00 0.00 C ATOM 30 OE1 GLU A 4 5.503 -16.560 8.949 1.00 0.00 O ATOM 31 OE2 GLU A 4 6.022 -17.313 6.918 1.00 0.00 O ATOM 0 HA GLU A 4 3.346 -12.934 7.041 1.00 0.00 H new ATOM 0 HB2 GLU A 4 5.465 -13.125 8.203 1.00 0.00 H new ATOM 0 HB3 GLU A 4 4.455 -14.504 8.591 1.00 0.00 H new ATOM 0 HG2 GLU A 4 6.165 -14.941 6.206 1.00 0.00 H new ATOM 0 HG3 GLU A 4 7.083 -14.631 7.666 1.00 0.00 H new ATOM 38 N ALA A 5 4.898 -13.714 4.386 1.00 0.00 N ATOM 39 CA ALA A 5 5.588 -13.212 3.211 1.00 0.00 C ATOM 40 C ALA A 5 4.757 -12.098 2.571 1.00 0.00 C ATOM 41 O ALA A 5 5.246 -11.371 1.709 1.00 0.00 O ATOM 42 CB ALA A 5 5.858 -14.367 2.244 1.00 0.00 C ATOM 0 H ALA A 5 4.490 -14.642 4.277 1.00 0.00 H new ATOM 0 HA ALA A 5 6.552 -12.785 3.487 1.00 0.00 H new ATOM 0 HB1 ALA A 5 6.376 -13.990 1.362 1.00 0.00 H new ATOM 0 HB2 ALA A 5 6.478 -15.116 2.736 1.00 0.00 H new ATOM 0 HB3 ALA A 5 4.913 -14.819 1.944 1.00 0.00 H new ATOM 48 N ILE A 6 3.514 -12.000 3.020 1.00 0.00 N ATOM 49 CA ILE A 6 2.609 -10.988 2.502 1.00 0.00 C ATOM 50 C ILE A 6 2.731 -9.720 3.351 1.00 0.00 C ATOM 51 O ILE A 6 3.008 -8.643 2.827 1.00 0.00 O ATOM 52 CB ILE A 6 1.184 -11.537 2.416 1.00 0.00 C ATOM 53 CG1 ILE A 6 0.933 -12.200 1.060 1.00 0.00 C ATOM 54 CG2 ILE A 6 0.157 -10.444 2.719 1.00 0.00 C ATOM 55 CD1 ILE A 6 -0.395 -12.958 1.058 1.00 0.00 C ATOM 0 H ILE A 6 3.113 -12.605 3.737 1.00 0.00 H new ATOM 0 HA ILE A 6 2.882 -10.717 1.482 1.00 0.00 H new ATOM 0 HB ILE A 6 1.068 -12.308 3.177 1.00 0.00 H new ATOM 0 HG12 ILE A 6 0.924 -11.442 0.277 1.00 0.00 H new ATOM 0 HG13 ILE A 6 1.748 -12.886 0.830 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -0.848 -10.860 2.651 1.00 0.00 H new ATOM 0 HG22 ILE A 6 0.323 -10.058 3.725 1.00 0.00 H new ATOM 0 HG23 ILE A 6 0.264 -9.634 1.997 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -0.549 -13.420 0.083 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -0.374 -13.731 1.826 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -1.210 -12.264 1.264 1.00 0.00 H new ATOM 67 N LYS A 7 2.516 -9.892 4.647 1.00 0.00 N ATOM 68 CA LYS A 7 2.598 -8.776 5.573 1.00 0.00 C ATOM 69 C LYS A 7 3.963 -8.100 5.432 1.00 0.00 C ATOM 70 O LYS A 7 4.075 -6.882 5.567 1.00 0.00 O ATOM 71 CB LYS A 7 2.284 -9.237 6.998 1.00 0.00 C ATOM 72 CG LYS A 7 1.395 -8.223 7.720 1.00 0.00 C ATOM 73 CD LYS A 7 2.142 -7.571 8.885 1.00 0.00 C ATOM 74 CE LYS A 7 1.184 -6.773 9.773 1.00 0.00 C ATOM 75 NZ LYS A 7 1.915 -6.157 10.902 1.00 0.00 N ATOM 0 H LYS A 7 2.285 -10.787 5.077 1.00 0.00 H new ATOM 0 HA LYS A 7 1.845 -8.026 5.332 1.00 0.00 H new ATOM 0 HB2 LYS A 7 1.786 -10.206 6.969 1.00 0.00 H new ATOM 0 HB3 LYS A 7 3.212 -9.372 7.553 1.00 0.00 H new ATOM 0 HG2 LYS A 7 1.068 -7.456 7.018 1.00 0.00 H new ATOM 0 HG3 LYS A 7 0.498 -8.719 8.091 1.00 0.00 H new ATOM 0 HD2 LYS A 7 2.639 -8.339 9.478 1.00 0.00 H new ATOM 0 HD3 LYS A 7 2.920 -6.912 8.500 1.00 0.00 H new ATOM 0 HE2 LYS A 7 0.693 -5.998 9.184 1.00 0.00 H new ATOM 0 HE3 LYS A 7 0.401 -7.428 10.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 1.250 -5.620 11.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 2.363 -6.902 11.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 2.646 -5.516 10.534 1.00 0.00 H new ATOM 89 N ASN A 8 4.968 -8.920 5.161 1.00 0.00 N ATOM 90 CA ASN A 8 6.322 -8.417 5.001 1.00 0.00 C ATOM 91 C ASN A 8 6.464 -7.780 3.617 1.00 0.00 C ATOM 92 O ASN A 8 6.885 -6.632 3.498 1.00 0.00 O ATOM 93 CB ASN A 8 7.346 -9.548 5.109 1.00 0.00 C ATOM 94 CG ASN A 8 8.626 -9.065 5.796 1.00 0.00 C ATOM 95 OD1 ASN A 8 8.863 -7.880 5.960 1.00 0.00 O ATOM 96 ND2 ASN A 8 9.433 -10.046 6.186 1.00 0.00 N ATOM 0 H ASN A 8 4.872 -9.929 5.048 1.00 0.00 H new ATOM 0 HA ASN A 8 6.507 -7.688 5.790 1.00 0.00 H new ATOM 0 HB2 ASN A 8 6.918 -10.378 5.671 1.00 0.00 H new ATOM 0 HB3 ASN A 8 7.583 -9.925 4.114 1.00 0.00 H new ATOM 0 HD21 ASN A 8 10.312 -9.827 6.654 1.00 0.00 H new ATOM 0 HD22 ASN A 8 9.173 -11.018 6.017 1.00 0.00 H new ATOM 103 N GLY A 9 6.104 -8.557 2.605 1.00 0.00 N ATOM 104 CA GLY A 9 6.186 -8.084 1.233 1.00 0.00 C ATOM 105 C GLY A 9 5.432 -6.764 1.062 1.00 0.00 C ATOM 106 O GLY A 9 5.940 -5.830 0.443 1.00 0.00 O ATOM 0 H GLY A 9 5.755 -9.510 2.708 1.00 0.00 H new ATOM 0 HA2 GLY A 9 7.231 -7.949 0.953 1.00 0.00 H new ATOM 0 HA3 GLY A 9 5.770 -8.834 0.560 1.00 0.00 H new ATOM 110 N VAL A 10 4.231 -6.728 1.622 1.00 0.00 N ATOM 111 CA VAL A 10 3.402 -5.538 1.540 1.00 0.00 C ATOM 112 C VAL A 10 4.172 -4.344 2.108 1.00 0.00 C ATOM 113 O VAL A 10 4.209 -3.277 1.497 1.00 0.00 O ATOM 114 CB VAL A 10 2.067 -5.780 2.248 1.00 0.00 C ATOM 115 CG1 VAL A 10 1.418 -4.457 2.662 1.00 0.00 C ATOM 116 CG2 VAL A 10 1.122 -6.602 1.370 1.00 0.00 C ATOM 0 H VAL A 10 3.813 -7.504 2.134 1.00 0.00 H new ATOM 0 HA VAL A 10 3.167 -5.308 0.501 1.00 0.00 H new ATOM 0 HB VAL A 10 2.267 -6.353 3.153 1.00 0.00 H new ATOM 0 HG11 VAL A 10 0.471 -4.657 3.163 1.00 0.00 H new ATOM 0 HG12 VAL A 10 2.082 -3.923 3.342 1.00 0.00 H new ATOM 0 HG13 VAL A 10 1.238 -3.847 1.777 1.00 0.00 H new ATOM 0 HG21 VAL A 10 0.181 -6.760 1.897 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.932 -6.067 0.440 1.00 0.00 H new ATOM 0 HG23 VAL A 10 1.579 -7.566 1.147 1.00 0.00 H new ATOM 126 N LEU A 11 4.768 -4.565 3.271 1.00 0.00 N ATOM 127 CA LEU A 11 5.535 -3.520 3.928 1.00 0.00 C ATOM 128 C LEU A 11 6.806 -3.243 3.122 1.00 0.00 C ATOM 129 O LEU A 11 7.145 -2.089 2.869 1.00 0.00 O ATOM 130 CB LEU A 11 5.802 -3.891 5.389 1.00 0.00 C ATOM 131 CG LEU A 11 5.897 -2.720 6.370 1.00 0.00 C ATOM 132 CD1 LEU A 11 4.783 -1.703 6.120 1.00 0.00 C ATOM 133 CD2 LEU A 11 5.904 -3.218 7.817 1.00 0.00 C ATOM 0 H LEU A 11 4.735 -5.451 3.775 1.00 0.00 H new ATOM 0 HA LEU A 11 4.967 -2.590 3.957 1.00 0.00 H new ATOM 0 HB2 LEU A 11 5.008 -4.558 5.725 1.00 0.00 H new ATOM 0 HB3 LEU A 11 6.733 -4.455 5.436 1.00 0.00 H new ATOM 0 HG LEU A 11 6.844 -2.208 6.200 1.00 0.00 H new ATOM 0 HD11 LEU A 11 4.874 -0.882 6.831 1.00 0.00 H new ATOM 0 HD12 LEU A 11 4.865 -1.315 5.105 1.00 0.00 H new ATOM 0 HD13 LEU A 11 3.814 -2.186 6.246 1.00 0.00 H new ATOM 0 HD21 LEU A 11 5.972 -2.367 8.494 1.00 0.00 H new ATOM 0 HD22 LEU A 11 4.984 -3.768 8.017 1.00 0.00 H new ATOM 0 HD23 LEU A 11 6.760 -3.874 7.972 1.00 0.00 H new ATOM 145 N ASP A 12 7.475 -4.322 2.743 1.00 0.00 N ATOM 146 CA ASP A 12 8.701 -4.209 1.971 1.00 0.00 C ATOM 147 C ASP A 12 8.425 -3.407 0.698 1.00 0.00 C ATOM 148 O ASP A 12 9.203 -2.525 0.335 1.00 0.00 O ATOM 149 CB ASP A 12 9.221 -5.588 1.559 1.00 0.00 C ATOM 150 CG ASP A 12 10.744 -5.709 1.483 1.00 0.00 C ATOM 151 OD1 ASP A 12 11.369 -5.692 2.566 1.00 0.00 O ATOM 152 OD2 ASP A 12 11.249 -5.816 0.345 1.00 0.00 O ATOM 0 H ASP A 12 7.191 -5.278 2.956 1.00 0.00 H new ATOM 0 HA ASP A 12 9.447 -3.713 2.593 1.00 0.00 H new ATOM 0 HB2 ASP A 12 8.848 -6.327 2.268 1.00 0.00 H new ATOM 0 HB3 ASP A 12 8.802 -5.841 0.585 1.00 0.00 H new ATOM 157 N ILE A 13 7.317 -3.741 0.055 1.00 0.00 N ATOM 158 CA ILE A 13 6.927 -3.063 -1.170 1.00 0.00 C ATOM 159 C ILE A 13 6.478 -1.639 -0.839 1.00 0.00 C ATOM 160 O ILE A 13 6.409 -0.785 -1.721 1.00 0.00 O ATOM 161 CB ILE A 13 5.877 -3.880 -1.925 1.00 0.00 C ATOM 162 CG1 ILE A 13 6.536 -4.822 -2.935 1.00 0.00 C ATOM 163 CG2 ILE A 13 4.842 -2.967 -2.584 1.00 0.00 C ATOM 164 CD1 ILE A 13 5.942 -6.229 -2.841 1.00 0.00 C ATOM 0 H ILE A 13 6.675 -4.473 0.359 1.00 0.00 H new ATOM 0 HA ILE A 13 7.778 -2.980 -1.846 1.00 0.00 H new ATOM 0 HB ILE A 13 5.346 -4.502 -1.204 1.00 0.00 H new ATOM 0 HG12 ILE A 13 6.399 -4.432 -3.944 1.00 0.00 H new ATOM 0 HG13 ILE A 13 7.610 -4.864 -2.752 1.00 0.00 H new ATOM 0 HG21 ILE A 13 4.107 -3.573 -3.114 1.00 0.00 H new ATOM 0 HG22 ILE A 13 4.340 -2.375 -1.819 1.00 0.00 H new ATOM 0 HG23 ILE A 13 5.340 -2.302 -3.289 1.00 0.00 H new ATOM 0 HD11 ILE A 13 6.428 -6.878 -3.569 1.00 0.00 H new ATOM 0 HD12 ILE A 13 6.102 -6.625 -1.838 1.00 0.00 H new ATOM 0 HD13 ILE A 13 4.873 -6.187 -3.049 1.00 0.00 H new ATOM 176 N LEU A 14 6.184 -1.427 0.436 1.00 0.00 N ATOM 177 CA LEU A 14 5.743 -0.121 0.895 1.00 0.00 C ATOM 178 C LEU A 14 6.959 0.792 1.068 1.00 0.00 C ATOM 179 O LEU A 14 7.054 1.835 0.423 1.00 0.00 O ATOM 180 CB LEU A 14 4.891 -0.256 2.158 1.00 0.00 C ATOM 181 CG LEU A 14 3.490 0.356 2.091 1.00 0.00 C ATOM 182 CD1 LEU A 14 3.562 1.867 1.860 1.00 0.00 C ATOM 183 CD2 LEU A 14 2.635 -0.346 1.034 1.00 0.00 C ATOM 0 H LEU A 14 6.243 -2.138 1.165 1.00 0.00 H new ATOM 0 HA LEU A 14 5.097 0.345 0.151 1.00 0.00 H new ATOM 0 HB2 LEU A 14 4.792 -1.316 2.394 1.00 0.00 H new ATOM 0 HB3 LEU A 14 5.429 0.206 2.986 1.00 0.00 H new ATOM 0 HG LEU A 14 3.003 0.201 3.054 1.00 0.00 H new ATOM 0 HD11 LEU A 14 2.553 2.277 1.816 1.00 0.00 H new ATOM 0 HD12 LEU A 14 4.109 2.335 2.679 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.076 2.067 0.920 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.644 0.108 1.007 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.108 -0.244 0.057 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.543 -1.403 1.284 1.00 0.00 H new ATOM 195 N ALA A 15 7.859 0.365 1.943 1.00 0.00 N ATOM 196 CA ALA A 15 9.064 1.131 2.209 1.00 0.00 C ATOM 197 C ALA A 15 9.786 1.414 0.890 1.00 0.00 C ATOM 198 O ALA A 15 10.400 2.467 0.728 1.00 0.00 O ATOM 199 CB ALA A 15 9.944 0.369 3.202 1.00 0.00 C ATOM 0 H ALA A 15 7.777 -0.501 2.476 1.00 0.00 H new ATOM 0 HA ALA A 15 8.816 2.091 2.662 1.00 0.00 H new ATOM 0 HB1 ALA A 15 10.848 0.943 3.402 1.00 0.00 H new ATOM 0 HB2 ALA A 15 9.397 0.219 4.132 1.00 0.00 H new ATOM 0 HB3 ALA A 15 10.215 -0.599 2.780 1.00 0.00 H new ATOM 205 N ASP A 16 9.687 0.456 -0.019 1.00 0.00 N ATOM 206 CA ASP A 16 10.322 0.588 -1.319 1.00 0.00 C ATOM 207 C ASP A 16 9.579 1.645 -2.140 1.00 0.00 C ATOM 208 O ASP A 16 10.202 2.488 -2.783 1.00 0.00 O ATOM 209 CB ASP A 16 10.275 -0.731 -2.094 1.00 0.00 C ATOM 210 CG ASP A 16 11.516 -1.031 -2.934 1.00 0.00 C ATOM 211 OD1 ASP A 16 12.594 -0.519 -2.561 1.00 0.00 O ATOM 212 OD2 ASP A 16 11.361 -1.767 -3.933 1.00 0.00 O ATOM 0 H ASP A 16 9.176 -0.416 0.119 1.00 0.00 H new ATOM 0 HA ASP A 16 11.361 0.874 -1.158 1.00 0.00 H new ATOM 0 HB2 ASP A 16 10.128 -1.546 -1.386 1.00 0.00 H new ATOM 0 HB3 ASP A 16 9.405 -0.719 -2.750 1.00 0.00 H new ATOM 217 N LEU A 17 8.258 1.563 -2.090 1.00 0.00 N ATOM 218 CA LEU A 17 7.422 2.502 -2.821 1.00 0.00 C ATOM 219 C LEU A 17 7.813 3.931 -2.438 1.00 0.00 C ATOM 220 O LEU A 17 8.029 4.774 -3.307 1.00 0.00 O ATOM 221 CB LEU A 17 5.942 2.188 -2.598 1.00 0.00 C ATOM 222 CG LEU A 17 5.121 1.894 -3.856 1.00 0.00 C ATOM 223 CD1 LEU A 17 5.325 0.449 -4.317 1.00 0.00 C ATOM 224 CD2 LEU A 17 3.643 2.222 -3.636 1.00 0.00 C ATOM 0 H LEU A 17 7.745 0.862 -1.555 1.00 0.00 H new ATOM 0 HA LEU A 17 7.586 2.403 -3.894 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.870 1.328 -1.932 1.00 0.00 H new ATOM 0 HB3 LEU A 17 5.486 3.032 -2.080 1.00 0.00 H new ATOM 0 HG LEU A 17 5.478 2.542 -4.657 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.731 0.265 -5.212 1.00 0.00 H new ATOM 0 HD12 LEU A 17 6.379 0.284 -4.541 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.011 -0.233 -3.527 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.083 2.004 -4.545 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.254 1.618 -2.816 1.00 0.00 H new ATOM 0 HD23 LEU A 17 3.538 3.279 -3.389 1.00 0.00 H new ATOM 236 N THR A 18 7.891 4.160 -1.134 1.00 0.00 N ATOM 237 CA THR A 18 8.251 5.472 -0.625 1.00 0.00 C ATOM 238 C THR A 18 9.709 5.792 -0.962 1.00 0.00 C ATOM 239 O THR A 18 10.011 6.875 -1.462 1.00 0.00 O ATOM 240 CB THR A 18 7.954 5.495 0.875 1.00 0.00 C ATOM 241 OG1 THR A 18 8.986 4.694 1.445 1.00 0.00 O ATOM 242 CG2 THR A 18 6.666 4.749 1.228 1.00 0.00 C ATOM 0 H THR A 18 7.711 3.459 -0.416 1.00 0.00 H new ATOM 0 HA THR A 18 7.661 6.256 -1.099 1.00 0.00 H new ATOM 0 HB THR A 18 7.880 6.528 1.215 1.00 0.00 H new ATOM 0 HG1 THR A 18 8.783 4.521 2.388 1.00 0.00 H new ATOM 0 HG21 THR A 18 6.502 4.796 2.305 1.00 0.00 H new ATOM 0 HG22 THR A 18 5.825 5.212 0.712 1.00 0.00 H new ATOM 0 HG23 THR A 18 6.753 3.707 0.919 1.00 0.00 H new ATOM 250 N GLY A 19 10.574 4.831 -0.672 1.00 0.00 N ATOM 251 CA GLY A 19 11.993 4.998 -0.937 1.00 0.00 C ATOM 252 C GLY A 19 12.813 4.832 0.343 1.00 0.00 C ATOM 253 O GLY A 19 14.041 4.906 0.313 1.00 0.00 O ATOM 0 H GLY A 19 10.320 3.935 -0.256 1.00 0.00 H new ATOM 0 HA2 GLY A 19 12.317 4.267 -1.678 1.00 0.00 H new ATOM 0 HA3 GLY A 19 12.173 5.985 -1.363 1.00 0.00 H new ATOM 257 N SER A 20 12.102 4.613 1.439 1.00 0.00 N ATOM 258 CA SER A 20 12.748 4.436 2.729 1.00 0.00 C ATOM 259 C SER A 20 11.782 3.773 3.712 1.00 0.00 C ATOM 260 O SER A 20 10.617 3.549 3.388 1.00 0.00 O ATOM 261 CB SER A 20 13.238 5.774 3.286 1.00 0.00 C ATOM 262 OG SER A 20 14.649 5.922 3.155 1.00 0.00 O ATOM 0 H SER A 20 11.084 4.554 1.461 1.00 0.00 H new ATOM 0 HA SER A 20 13.615 3.790 2.592 1.00 0.00 H new ATOM 0 HB2 SER A 20 12.738 6.589 2.763 1.00 0.00 H new ATOM 0 HB3 SER A 20 12.961 5.852 4.337 1.00 0.00 H new ATOM 0 HG SER A 20 14.923 5.660 2.251 1.00 0.00 H new ATOM 268 N ASP A 21 12.302 3.476 4.895 1.00 0.00 N ATOM 269 CA ASP A 21 11.501 2.843 5.928 1.00 0.00 C ATOM 270 C ASP A 21 10.745 3.918 6.711 1.00 0.00 C ATOM 271 O ASP A 21 10.958 4.081 7.911 1.00 0.00 O ATOM 272 CB ASP A 21 12.381 2.072 6.912 1.00 0.00 C ATOM 273 CG ASP A 21 12.547 0.583 6.601 1.00 0.00 C ATOM 274 OD1 ASP A 21 12.533 0.249 5.397 1.00 0.00 O ATOM 275 OD2 ASP A 21 12.685 -0.188 7.576 1.00 0.00 O ATOM 0 H ASP A 21 13.269 3.663 5.160 1.00 0.00 H new ATOM 0 HA ASP A 21 10.811 2.152 5.444 1.00 0.00 H new ATOM 0 HB2 ASP A 21 13.367 2.535 6.934 1.00 0.00 H new ATOM 0 HB3 ASP A 21 11.958 2.174 7.911 1.00 0.00 H new ATOM 280 N ASP A 22 9.876 4.623 6.000 1.00 0.00 N ATOM 281 CA ASP A 22 9.088 5.677 6.614 1.00 0.00 C ATOM 282 C ASP A 22 7.772 5.090 7.130 1.00 0.00 C ATOM 283 O ASP A 22 7.341 5.402 8.239 1.00 0.00 O ATOM 284 CB ASP A 22 8.751 6.773 5.601 1.00 0.00 C ATOM 285 CG ASP A 22 9.057 6.423 4.144 1.00 0.00 C ATOM 286 OD1 ASP A 22 8.557 5.369 3.696 1.00 0.00 O ATOM 287 OD2 ASP A 22 9.785 7.218 3.511 1.00 0.00 O ATOM 0 H ASP A 22 9.701 4.484 5.005 1.00 0.00 H new ATOM 0 HA ASP A 22 9.673 6.105 7.428 1.00 0.00 H new ATOM 0 HB2 ASP A 22 7.691 7.012 5.686 1.00 0.00 H new ATOM 0 HB3 ASP A 22 9.304 7.674 5.866 1.00 0.00 H new ATOM 292 N VAL A 23 7.172 4.249 6.302 1.00 0.00 N ATOM 293 CA VAL A 23 5.914 3.615 6.660 1.00 0.00 C ATOM 294 C VAL A 23 6.201 2.299 7.387 1.00 0.00 C ATOM 295 O VAL A 23 5.431 1.883 8.252 1.00 0.00 O ATOM 296 CB VAL A 23 5.046 3.432 5.414 1.00 0.00 C ATOM 297 CG1 VAL A 23 4.822 4.767 4.702 1.00 0.00 C ATOM 298 CG2 VAL A 23 5.659 2.400 4.465 1.00 0.00 C ATOM 0 H VAL A 23 7.533 3.991 5.384 1.00 0.00 H new ATOM 0 HA VAL A 23 5.348 4.248 7.343 1.00 0.00 H new ATOM 0 HB VAL A 23 4.074 3.056 5.735 1.00 0.00 H new ATOM 0 HG11 VAL A 23 4.202 4.609 3.820 1.00 0.00 H new ATOM 0 HG12 VAL A 23 4.321 5.460 5.378 1.00 0.00 H new ATOM 0 HG13 VAL A 23 5.783 5.184 4.400 1.00 0.00 H new ATOM 0 HG21 VAL A 23 5.022 2.289 3.587 1.00 0.00 H new ATOM 0 HG22 VAL A 23 6.649 2.734 4.155 1.00 0.00 H new ATOM 0 HG23 VAL A 23 5.743 1.441 4.976 1.00 0.00 H new ATOM 308 N LYS A 24 7.310 1.681 7.011 1.00 0.00 N ATOM 309 CA LYS A 24 7.708 0.421 7.617 1.00 0.00 C ATOM 310 C LYS A 24 7.399 0.461 9.115 1.00 0.00 C ATOM 311 O LYS A 24 7.112 -0.570 9.720 1.00 0.00 O ATOM 312 CB LYS A 24 9.173 0.113 7.299 1.00 0.00 C ATOM 313 CG LYS A 24 9.596 -1.224 7.910 1.00 0.00 C ATOM 314 CD LYS A 24 10.274 -1.017 9.265 1.00 0.00 C ATOM 315 CE LYS A 24 9.809 -2.068 10.277 1.00 0.00 C ATOM 316 NZ LYS A 24 10.675 -2.049 11.477 1.00 0.00 N ATOM 0 H LYS A 24 7.946 2.029 6.294 1.00 0.00 H new ATOM 0 HA LYS A 24 7.134 -0.404 7.194 1.00 0.00 H new ATOM 0 HB2 LYS A 24 9.317 0.085 6.219 1.00 0.00 H new ATOM 0 HB3 LYS A 24 9.808 0.911 7.684 1.00 0.00 H new ATOM 0 HG2 LYS A 24 8.723 -1.865 8.030 1.00 0.00 H new ATOM 0 HG3 LYS A 24 10.278 -1.738 7.233 1.00 0.00 H new ATOM 0 HD2 LYS A 24 11.356 -1.074 9.147 1.00 0.00 H new ATOM 0 HD3 LYS A 24 10.047 -0.019 9.641 1.00 0.00 H new ATOM 0 HE2 LYS A 24 8.776 -1.873 10.564 1.00 0.00 H new ATOM 0 HE3 LYS A 24 9.832 -3.057 9.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 10.347 -2.767 12.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 11.656 -2.257 11.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 10.632 -1.110 11.921 1.00 0.00 H new ATOM 330 N LYS A 25 7.469 1.662 9.669 1.00 0.00 N ATOM 331 CA LYS A 25 7.200 1.850 11.085 1.00 0.00 C ATOM 332 C LYS A 25 5.710 2.137 11.283 1.00 0.00 C ATOM 333 O LYS A 25 4.908 1.213 11.408 1.00 0.00 O ATOM 334 CB LYS A 25 8.117 2.928 11.667 1.00 0.00 C ATOM 335 CG LYS A 25 8.248 4.112 10.706 1.00 0.00 C ATOM 336 CD LYS A 25 8.195 5.441 11.463 1.00 0.00 C ATOM 337 CE LYS A 25 9.521 5.721 12.172 1.00 0.00 C ATOM 338 NZ LYS A 25 9.741 7.179 12.303 1.00 0.00 N ATOM 0 H LYS A 25 7.708 2.515 9.163 1.00 0.00 H new ATOM 0 HA LYS A 25 7.426 0.939 11.640 1.00 0.00 H new ATOM 0 HB2 LYS A 25 7.720 3.272 12.622 1.00 0.00 H new ATOM 0 HB3 LYS A 25 9.102 2.505 11.865 1.00 0.00 H new ATOM 0 HG2 LYS A 25 9.188 4.038 10.159 1.00 0.00 H new ATOM 0 HG3 LYS A 25 7.446 4.077 9.969 1.00 0.00 H new ATOM 0 HD2 LYS A 25 7.972 6.251 10.768 1.00 0.00 H new ATOM 0 HD3 LYS A 25 7.386 5.416 12.193 1.00 0.00 H new ATOM 0 HE2 LYS A 25 9.518 5.258 13.159 1.00 0.00 H new ATOM 0 HE3 LYS A 25 10.341 5.272 11.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 10.645 7.352 12.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 9.765 7.613 11.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 8.967 7.599 12.857 1.00 0.00 H new ATOM 352 N ASN A 26 5.386 3.421 11.307 1.00 0.00 N ATOM 353 CA ASN A 26 4.008 3.841 11.488 1.00 0.00 C ATOM 354 C ASN A 26 3.122 3.128 10.464 1.00 0.00 C ATOM 355 O ASN A 26 3.418 3.137 9.270 1.00 0.00 O ATOM 356 CB ASN A 26 3.858 5.349 11.273 1.00 0.00 C ATOM 357 CG ASN A 26 4.916 5.871 10.299 1.00 0.00 C ATOM 358 OD1 ASN A 26 5.131 5.330 9.226 1.00 0.00 O ATOM 359 ND2 ASN A 26 5.563 6.950 10.730 1.00 0.00 N ATOM 0 H ASN A 26 6.055 4.184 11.204 1.00 0.00 H new ATOM 0 HA ASN A 26 3.711 3.590 12.506 1.00 0.00 H new ATOM 0 HB2 ASN A 26 2.863 5.568 10.886 1.00 0.00 H new ATOM 0 HB3 ASN A 26 3.950 5.867 12.228 1.00 0.00 H new ATOM 0 HD21 ASN A 26 6.288 7.375 10.152 1.00 0.00 H new ATOM 0 HD22 ASN A 26 5.334 7.353 11.639 1.00 0.00 H new ATOM 366 N LEU A 27 2.055 2.526 10.969 1.00 0.00 N ATOM 367 CA LEU A 27 1.126 1.810 10.113 1.00 0.00 C ATOM 368 C LEU A 27 -0.083 2.700 9.821 1.00 0.00 C ATOM 369 O LEU A 27 -1.205 2.211 9.700 1.00 0.00 O ATOM 370 CB LEU A 27 0.758 0.460 10.733 1.00 0.00 C ATOM 371 CG LEU A 27 1.932 -0.448 11.107 1.00 0.00 C ATOM 372 CD1 LEU A 27 1.626 -1.245 12.377 1.00 0.00 C ATOM 373 CD2 LEU A 27 2.316 -1.357 9.938 1.00 0.00 C ATOM 0 H LEU A 27 1.814 2.520 11.960 1.00 0.00 H new ATOM 0 HA LEU A 27 1.592 1.580 9.155 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.166 0.644 11.630 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.118 -0.077 10.033 1.00 0.00 H new ATOM 0 HG LEU A 27 2.796 0.181 11.322 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.476 -1.882 12.621 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.440 -0.557 13.202 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.744 -1.864 12.214 1.00 0.00 H new ATOM 0 HD21 LEU A 27 3.153 -1.992 10.230 1.00 0.00 H new ATOM 0 HD22 LEU A 27 1.464 -1.981 9.667 1.00 0.00 H new ATOM 0 HD23 LEU A 27 2.605 -0.747 9.082 1.00 0.00 H new ATOM 385 N ASP A 28 0.186 3.994 9.716 1.00 0.00 N ATOM 386 CA ASP A 28 -0.865 4.958 9.441 1.00 0.00 C ATOM 387 C ASP A 28 -0.241 6.245 8.896 1.00 0.00 C ATOM 388 O ASP A 28 -0.797 7.328 9.068 1.00 0.00 O ATOM 389 CB ASP A 28 -1.637 5.310 10.714 1.00 0.00 C ATOM 390 CG ASP A 28 -3.139 5.018 10.660 1.00 0.00 C ATOM 391 OD1 ASP A 28 -3.621 4.729 9.544 1.00 0.00 O ATOM 392 OD2 ASP A 28 -3.770 5.091 11.737 1.00 0.00 O ATOM 0 H ASP A 28 1.118 4.397 9.817 1.00 0.00 H new ATOM 0 HA ASP A 28 -1.548 4.514 8.716 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -1.204 4.758 11.548 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -1.495 6.370 10.926 1.00 0.00 H new ATOM 397 N LEU A 29 0.904 6.081 8.249 1.00 0.00 N ATOM 398 CA LEU A 29 1.608 7.216 7.677 1.00 0.00 C ATOM 399 C LEU A 29 0.981 7.573 6.328 1.00 0.00 C ATOM 400 O LEU A 29 1.324 6.983 5.305 1.00 0.00 O ATOM 401 CB LEU A 29 3.110 6.932 7.602 1.00 0.00 C ATOM 402 CG LEU A 29 3.997 8.114 7.209 1.00 0.00 C ATOM 403 CD1 LEU A 29 4.055 9.153 8.330 1.00 0.00 C ATOM 404 CD2 LEU A 29 5.391 7.639 6.794 1.00 0.00 C ATOM 0 H LEU A 29 1.361 5.180 8.108 1.00 0.00 H new ATOM 0 HA LEU A 29 1.504 8.091 8.318 1.00 0.00 H new ATOM 0 HB2 LEU A 29 3.439 6.564 8.574 1.00 0.00 H new ATOM 0 HB3 LEU A 29 3.272 6.127 6.885 1.00 0.00 H new ATOM 0 HG LEU A 29 3.552 8.602 6.342 1.00 0.00 H new ATOM 0 HD11 LEU A 29 4.692 9.983 8.024 1.00 0.00 H new ATOM 0 HD12 LEU A 29 3.051 9.523 8.535 1.00 0.00 H new ATOM 0 HD13 LEU A 29 4.463 8.694 9.230 1.00 0.00 H new ATOM 0 HD21 LEU A 29 6.002 8.499 6.519 1.00 0.00 H new ATOM 0 HD22 LEU A 29 5.859 7.113 7.626 1.00 0.00 H new ATOM 0 HD23 LEU A 29 5.307 6.966 5.940 1.00 0.00 H new ATOM 416 N ASN A 30 0.075 8.539 6.370 1.00 0.00 N ATOM 417 CA ASN A 30 -0.603 8.982 5.164 1.00 0.00 C ATOM 418 C ASN A 30 0.394 9.003 4.003 1.00 0.00 C ATOM 419 O ASN A 30 1.237 9.894 3.919 1.00 0.00 O ATOM 420 CB ASN A 30 -1.161 10.396 5.333 1.00 0.00 C ATOM 421 CG ASN A 30 -2.690 10.391 5.291 1.00 0.00 C ATOM 422 OD1 ASN A 30 -3.315 10.995 4.435 1.00 0.00 O ATOM 423 ND2 ASN A 30 -3.256 9.678 6.260 1.00 0.00 N ATOM 0 H ASN A 30 -0.205 9.027 7.221 1.00 0.00 H new ATOM 0 HA ASN A 30 -1.423 8.292 4.966 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -0.821 10.814 6.281 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -0.774 11.040 4.543 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -4.272 9.613 6.318 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -2.674 9.196 6.945 1.00 0.00 H new ATOM 430 N LEU A 31 0.265 8.010 3.135 1.00 0.00 N ATOM 431 CA LEU A 31 1.143 7.902 1.983 1.00 0.00 C ATOM 432 C LEU A 31 0.867 9.065 1.027 1.00 0.00 C ATOM 433 O LEU A 31 1.613 9.278 0.072 1.00 0.00 O ATOM 434 CB LEU A 31 1.006 6.525 1.331 1.00 0.00 C ATOM 435 CG LEU A 31 1.063 5.326 2.280 1.00 0.00 C ATOM 436 CD1 LEU A 31 0.168 4.190 1.780 1.00 0.00 C ATOM 437 CD2 LEU A 31 2.506 4.866 2.496 1.00 0.00 C ATOM 0 H LEU A 31 -0.436 7.272 3.207 1.00 0.00 H new ATOM 0 HA LEU A 31 2.186 7.981 2.290 1.00 0.00 H new ATOM 0 HB2 LEU A 31 0.059 6.492 0.792 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.798 6.415 0.590 1.00 0.00 H new ATOM 0 HG LEU A 31 0.676 5.638 3.250 1.00 0.00 H new ATOM 0 HD11 LEU A 31 0.226 3.350 2.472 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.863 4.539 1.719 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.502 3.871 0.793 1.00 0.00 H new ATOM 0 HD21 LEU A 31 2.518 4.013 3.174 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.942 4.576 1.540 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.087 5.681 2.928 1.00 0.00 H new ATOM 449 N PHE A 32 -0.205 9.786 1.318 1.00 0.00 N ATOM 450 CA PHE A 32 -0.589 10.922 0.496 1.00 0.00 C ATOM 451 C PHE A 32 -0.214 12.241 1.176 1.00 0.00 C ATOM 452 O PHE A 32 0.515 13.051 0.606 1.00 0.00 O ATOM 453 CB PHE A 32 -2.107 10.861 0.329 1.00 0.00 C ATOM 454 CG PHE A 32 -2.567 10.114 -0.924 1.00 0.00 C ATOM 455 CD1 PHE A 32 -2.338 10.646 -2.155 1.00 0.00 C ATOM 456 CD2 PHE A 32 -3.203 8.917 -0.808 1.00 0.00 C ATOM 457 CE1 PHE A 32 -2.765 9.953 -3.318 1.00 0.00 C ATOM 458 CE2 PHE A 32 -3.628 8.223 -1.972 1.00 0.00 C ATOM 459 CZ PHE A 32 -3.401 8.756 -3.202 1.00 0.00 C ATOM 0 H PHE A 32 -0.820 9.606 2.111 1.00 0.00 H new ATOM 0 HA PHE A 32 -0.073 10.879 -0.463 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -2.539 10.379 1.206 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -2.500 11.877 0.298 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -1.831 11.595 -2.247 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -3.385 8.494 0.169 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -2.585 10.376 -4.295 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -4.131 7.272 -1.880 1.00 0.00 H new ATOM 0 HZ PHE A 32 -3.726 8.229 -4.087 1.00 0.00 H new ATOM 469 N GLU A 33 -0.732 12.416 2.382 1.00 0.00 N ATOM 470 CA GLU A 33 -0.461 13.622 3.145 1.00 0.00 C ATOM 471 C GLU A 33 1.033 13.726 3.462 1.00 0.00 C ATOM 472 O GLU A 33 1.515 14.788 3.854 1.00 0.00 O ATOM 473 CB GLU A 33 -1.297 13.660 4.426 1.00 0.00 C ATOM 474 CG GLU A 33 -2.062 14.981 4.543 1.00 0.00 C ATOM 475 CD GLU A 33 -2.973 14.979 5.772 1.00 0.00 C ATOM 476 OE1 GLU A 33 -3.558 13.909 6.043 1.00 0.00 O ATOM 477 OE2 GLU A 33 -3.064 16.050 6.411 1.00 0.00 O ATOM 0 H GLU A 33 -1.338 11.742 2.850 1.00 0.00 H new ATOM 0 HA GLU A 33 -0.745 14.483 2.539 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -2.000 12.827 4.431 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -0.648 13.534 5.292 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -1.357 15.809 4.610 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.658 15.141 3.644 1.00 0.00 H new ATOM 484 N THR A 34 1.723 12.611 3.280 1.00 0.00 N ATOM 485 CA THR A 34 3.151 12.563 3.542 1.00 0.00 C ATOM 486 C THR A 34 3.938 12.791 2.250 1.00 0.00 C ATOM 487 O THR A 34 5.137 13.060 2.287 1.00 0.00 O ATOM 488 CB THR A 34 3.464 11.225 4.216 1.00 0.00 C ATOM 489 OG1 THR A 34 2.615 11.206 5.359 1.00 0.00 O ATOM 490 CG2 THR A 34 4.878 11.182 4.800 1.00 0.00 C ATOM 0 H THR A 34 1.320 11.733 2.954 1.00 0.00 H new ATOM 0 HA THR A 34 3.456 13.362 4.217 1.00 0.00 H new ATOM 0 HB THR A 34 3.344 10.417 3.494 1.00 0.00 H new ATOM 0 HG1 THR A 34 1.889 10.563 5.217 1.00 0.00 H new ATOM 0 HG21 THR A 34 5.050 10.212 5.267 1.00 0.00 H new ATOM 0 HG22 THR A 34 5.606 11.335 4.003 1.00 0.00 H new ATOM 0 HG23 THR A 34 4.987 11.968 5.547 1.00 0.00 H new ATOM 498 N GLY A 35 3.230 12.675 1.135 1.00 0.00 N ATOM 499 CA GLY A 35 3.847 12.865 -0.167 1.00 0.00 C ATOM 500 C GLY A 35 4.602 11.608 -0.605 1.00 0.00 C ATOM 501 O GLY A 35 5.097 11.537 -1.728 1.00 0.00 O ATOM 0 H GLY A 35 2.235 12.452 1.107 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.082 13.109 -0.904 1.00 0.00 H new ATOM 0 HA3 GLY A 35 4.533 13.711 -0.128 1.00 0.00 H new ATOM 505 N LEU A 36 4.666 10.647 0.306 1.00 0.00 N ATOM 506 CA LEU A 36 5.352 9.398 0.028 1.00 0.00 C ATOM 507 C LEU A 36 4.902 8.865 -1.334 1.00 0.00 C ATOM 508 O LEU A 36 5.723 8.416 -2.132 1.00 0.00 O ATOM 509 CB LEU A 36 5.144 8.405 1.175 1.00 0.00 C ATOM 510 CG LEU A 36 5.877 8.726 2.480 1.00 0.00 C ATOM 511 CD1 LEU A 36 5.547 7.697 3.561 1.00 0.00 C ATOM 512 CD2 LEU A 36 7.385 8.847 2.246 1.00 0.00 C ATOM 0 H LEU A 36 4.254 10.709 1.237 1.00 0.00 H new ATOM 0 HA LEU A 36 6.428 9.561 -0.032 1.00 0.00 H new ATOM 0 HB2 LEU A 36 4.077 8.343 1.387 1.00 0.00 H new ATOM 0 HB3 LEU A 36 5.460 7.418 0.837 1.00 0.00 H new ATOM 0 HG LEU A 36 5.527 9.694 2.839 1.00 0.00 H new ATOM 0 HD11 LEU A 36 6.081 7.948 4.478 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.474 7.702 3.753 1.00 0.00 H new ATOM 0 HD13 LEU A 36 5.851 6.706 3.225 1.00 0.00 H new ATOM 0 HD21 LEU A 36 7.882 9.075 3.189 1.00 0.00 H new ATOM 0 HD22 LEU A 36 7.769 7.906 1.852 1.00 0.00 H new ATOM 0 HD23 LEU A 36 7.579 9.646 1.530 1.00 0.00 H new ATOM 524 N LEU A 37 3.598 8.934 -1.559 1.00 0.00 N ATOM 525 CA LEU A 37 3.028 8.465 -2.811 1.00 0.00 C ATOM 526 C LEU A 37 2.444 9.653 -3.577 1.00 0.00 C ATOM 527 O LEU A 37 2.252 10.727 -3.010 1.00 0.00 O ATOM 528 CB LEU A 37 2.020 7.343 -2.553 1.00 0.00 C ATOM 529 CG LEU A 37 2.514 5.922 -2.832 1.00 0.00 C ATOM 530 CD1 LEU A 37 1.457 4.888 -2.438 1.00 0.00 C ATOM 531 CD2 LEU A 37 2.950 5.769 -4.290 1.00 0.00 C ATOM 0 H LEU A 37 2.920 9.308 -0.895 1.00 0.00 H new ATOM 0 HA LEU A 37 3.802 8.028 -3.442 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.703 7.398 -1.512 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.137 7.526 -3.165 1.00 0.00 H new ATOM 0 HG LEU A 37 3.392 5.738 -2.213 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.833 3.886 -2.646 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.237 4.979 -1.374 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.547 5.061 -3.012 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.297 4.750 -4.461 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.106 5.980 -4.946 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.759 6.468 -4.503 1.00 0.00 H new ATOM 543 N ASP A 38 2.178 9.419 -4.854 1.00 0.00 N ATOM 544 CA ASP A 38 1.618 10.457 -5.704 1.00 0.00 C ATOM 545 C ASP A 38 0.380 9.913 -6.418 1.00 0.00 C ATOM 546 O ASP A 38 -0.728 10.403 -6.208 1.00 0.00 O ATOM 547 CB ASP A 38 2.624 10.896 -6.770 1.00 0.00 C ATOM 548 CG ASP A 38 3.037 12.368 -6.702 1.00 0.00 C ATOM 549 OD1 ASP A 38 2.119 13.210 -6.596 1.00 0.00 O ATOM 550 OD2 ASP A 38 4.261 12.617 -6.755 1.00 0.00 O ATOM 0 H ASP A 38 2.340 8.526 -5.321 1.00 0.00 H new ATOM 0 HA ASP A 38 1.364 11.309 -5.074 1.00 0.00 H new ATOM 0 HB2 ASP A 38 3.518 10.279 -6.681 1.00 0.00 H new ATOM 0 HB3 ASP A 38 2.198 10.699 -7.754 1.00 0.00 H new ATOM 555 N SER A 39 0.609 8.905 -7.247 1.00 0.00 N ATOM 556 CA SER A 39 -0.475 8.289 -7.994 1.00 0.00 C ATOM 557 C SER A 39 0.064 7.133 -8.839 1.00 0.00 C ATOM 558 O SER A 39 -0.470 6.025 -8.794 1.00 0.00 O ATOM 559 CB SER A 39 -1.181 9.313 -8.885 1.00 0.00 C ATOM 560 OG SER A 39 -1.957 8.687 -9.905 1.00 0.00 O ATOM 0 H SER A 39 1.529 8.499 -7.418 1.00 0.00 H new ATOM 0 HA SER A 39 -1.205 7.902 -7.283 1.00 0.00 H new ATOM 0 HB2 SER A 39 -1.827 9.943 -8.273 1.00 0.00 H new ATOM 0 HB3 SER A 39 -0.440 9.967 -9.343 1.00 0.00 H new ATOM 0 HG SER A 39 -2.393 9.373 -10.452 1.00 0.00 H new ATOM 566 N MET A 40 1.115 7.428 -9.589 1.00 0.00 N ATOM 567 CA MET A 40 1.731 6.427 -10.443 1.00 0.00 C ATOM 568 C MET A 40 2.208 5.226 -9.623 1.00 0.00 C ATOM 569 O MET A 40 2.264 4.108 -10.130 1.00 0.00 O ATOM 570 CB MET A 40 2.920 7.046 -11.181 1.00 0.00 C ATOM 571 CG MET A 40 3.257 6.251 -12.443 1.00 0.00 C ATOM 572 SD MET A 40 3.605 7.365 -13.793 1.00 0.00 S ATOM 573 CE MET A 40 2.124 7.143 -14.766 1.00 0.00 C ATOM 0 H MET A 40 1.556 8.347 -9.623 1.00 0.00 H new ATOM 0 HA MET A 40 0.987 6.081 -11.161 1.00 0.00 H new ATOM 0 HB2 MET A 40 2.690 8.078 -11.448 1.00 0.00 H new ATOM 0 HB3 MET A 40 3.788 7.073 -10.522 1.00 0.00 H new ATOM 0 HG2 MET A 40 4.119 5.609 -12.259 1.00 0.00 H new ATOM 0 HG3 MET A 40 2.424 5.599 -12.705 1.00 0.00 H new ATOM 0 HE1 MET A 40 2.175 7.771 -15.655 1.00 0.00 H new ATOM 0 HE2 MET A 40 2.038 6.098 -15.064 1.00 0.00 H new ATOM 0 HE3 MET A 40 1.254 7.424 -14.173 1.00 0.00 H new ATOM 583 N GLY A 41 2.540 5.500 -8.370 1.00 0.00 N ATOM 584 CA GLY A 41 3.009 4.456 -7.475 1.00 0.00 C ATOM 585 C GLY A 41 1.913 3.420 -7.217 1.00 0.00 C ATOM 586 O GLY A 41 2.144 2.220 -7.353 1.00 0.00 O ATOM 0 H GLY A 41 2.493 6.430 -7.953 1.00 0.00 H new ATOM 0 HA2 GLY A 41 3.882 3.967 -7.907 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.326 4.898 -6.530 1.00 0.00 H new ATOM 590 N THR A 42 0.744 3.923 -6.849 1.00 0.00 N ATOM 591 CA THR A 42 -0.388 3.056 -6.570 1.00 0.00 C ATOM 592 C THR A 42 -0.610 2.080 -7.727 1.00 0.00 C ATOM 593 O THR A 42 -0.998 0.932 -7.511 1.00 0.00 O ATOM 594 CB THR A 42 -1.602 3.942 -6.282 1.00 0.00 C ATOM 595 OG1 THR A 42 -1.835 3.768 -4.887 1.00 0.00 O ATOM 596 CG2 THR A 42 -2.880 3.418 -6.941 1.00 0.00 C ATOM 0 H THR A 42 0.556 4.919 -6.738 1.00 0.00 H new ATOM 0 HA THR A 42 -0.204 2.435 -5.693 1.00 0.00 H new ATOM 0 HB THR A 42 -1.403 4.955 -6.632 1.00 0.00 H new ATOM 0 HG1 THR A 42 -2.605 4.309 -4.614 1.00 0.00 H new ATOM 0 HG21 THR A 42 -3.710 4.083 -6.705 1.00 0.00 H new ATOM 0 HG22 THR A 42 -2.742 3.379 -8.022 1.00 0.00 H new ATOM 0 HG23 THR A 42 -3.099 2.418 -6.567 1.00 0.00 H new ATOM 604 N VAL A 43 -0.353 2.570 -8.930 1.00 0.00 N ATOM 605 CA VAL A 43 -0.520 1.756 -10.122 1.00 0.00 C ATOM 606 C VAL A 43 0.425 0.555 -10.050 1.00 0.00 C ATOM 607 O VAL A 43 -0.012 -0.591 -10.143 1.00 0.00 O ATOM 608 CB VAL A 43 -0.307 2.609 -11.374 1.00 0.00 C ATOM 609 CG1 VAL A 43 -0.553 1.792 -12.644 1.00 0.00 C ATOM 610 CG2 VAL A 43 -1.193 3.856 -11.344 1.00 0.00 C ATOM 0 H VAL A 43 -0.030 3.521 -9.105 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.537 1.368 -10.179 1.00 0.00 H new ATOM 0 HB VAL A 43 0.733 2.936 -11.383 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -0.395 2.423 -13.519 1.00 0.00 H new ATOM 0 HG12 VAL A 43 0.138 0.950 -12.674 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -1.578 1.421 -12.645 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -1.023 4.445 -12.245 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -2.240 3.557 -11.299 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.948 4.455 -10.467 1.00 0.00 H new ATOM 620 N GLN A 44 1.705 0.858 -9.884 1.00 0.00 N ATOM 621 CA GLN A 44 2.715 -0.182 -9.798 1.00 0.00 C ATOM 622 C GLN A 44 2.470 -1.059 -8.568 1.00 0.00 C ATOM 623 O GLN A 44 2.464 -2.286 -8.667 1.00 0.00 O ATOM 624 CB GLN A 44 4.121 0.420 -9.769 1.00 0.00 C ATOM 625 CG GLN A 44 5.178 -0.640 -10.084 1.00 0.00 C ATOM 626 CD GLN A 44 6.334 -0.040 -10.889 1.00 0.00 C ATOM 627 OE1 GLN A 44 6.159 0.846 -11.709 1.00 0.00 O ATOM 628 NE2 GLN A 44 7.520 -0.571 -10.609 1.00 0.00 N ATOM 0 H GLN A 44 2.065 1.809 -9.807 1.00 0.00 H new ATOM 0 HA GLN A 44 2.641 -0.807 -10.688 1.00 0.00 H new ATOM 0 HB2 GLN A 44 4.188 1.232 -10.493 1.00 0.00 H new ATOM 0 HB3 GLN A 44 4.315 0.852 -8.787 1.00 0.00 H new ATOM 0 HG2 GLN A 44 5.559 -1.066 -9.156 1.00 0.00 H new ATOM 0 HG3 GLN A 44 4.724 -1.456 -10.646 1.00 0.00 H new ATOM 0 HE21 GLN A 44 7.596 -1.311 -9.911 1.00 0.00 H new ATOM 0 HE22 GLN A 44 8.354 -0.239 -11.092 1.00 0.00 H new ATOM 637 N LEU A 45 2.275 -0.397 -7.437 1.00 0.00 N ATOM 638 CA LEU A 45 2.031 -1.101 -6.190 1.00 0.00 C ATOM 639 C LEU A 45 0.936 -2.148 -6.407 1.00 0.00 C ATOM 640 O LEU A 45 0.928 -3.188 -5.749 1.00 0.00 O ATOM 641 CB LEU A 45 1.719 -0.109 -5.067 1.00 0.00 C ATOM 642 CG LEU A 45 0.435 -0.372 -4.277 1.00 0.00 C ATOM 643 CD1 LEU A 45 0.623 -1.529 -3.294 1.00 0.00 C ATOM 644 CD2 LEU A 45 -0.049 0.901 -3.580 1.00 0.00 C ATOM 0 H LEU A 45 2.281 0.620 -7.358 1.00 0.00 H new ATOM 0 HA LEU A 45 2.926 -1.636 -5.872 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.557 -0.105 -4.370 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.658 0.890 -5.498 1.00 0.00 H new ATOM 0 HG LEU A 45 -0.344 -0.671 -4.979 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.304 -1.695 -2.746 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.887 -2.433 -3.843 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.421 -1.284 -2.592 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.963 0.687 -3.026 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.719 1.253 -2.892 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -0.249 1.671 -4.326 1.00 0.00 H new ATOM 656 N LEU A 46 0.039 -1.838 -7.331 1.00 0.00 N ATOM 657 CA LEU A 46 -1.057 -2.739 -7.641 1.00 0.00 C ATOM 658 C LEU A 46 -0.524 -3.926 -8.445 1.00 0.00 C ATOM 659 O LEU A 46 -1.005 -5.048 -8.297 1.00 0.00 O ATOM 660 CB LEU A 46 -2.190 -1.984 -8.340 1.00 0.00 C ATOM 661 CG LEU A 46 -3.418 -1.673 -7.482 1.00 0.00 C ATOM 662 CD1 LEU A 46 -4.500 -0.973 -8.306 1.00 0.00 C ATOM 663 CD2 LEU A 46 -3.945 -2.937 -6.801 1.00 0.00 C ATOM 0 H LEU A 46 0.049 -0.975 -7.875 1.00 0.00 H new ATOM 0 HA LEU A 46 -1.489 -3.141 -6.725 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.792 -1.044 -8.723 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.512 -2.569 -9.202 1.00 0.00 H new ATOM 0 HG LEU A 46 -3.117 -0.983 -6.693 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -5.362 -0.763 -7.672 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -4.106 -0.038 -8.704 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.804 -1.618 -9.130 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -4.818 -2.688 -6.197 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -4.225 -3.669 -7.559 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -3.169 -3.356 -6.161 1.00 0.00 H new ATOM 675 N LEU A 47 0.466 -3.639 -9.279 1.00 0.00 N ATOM 676 CA LEU A 47 1.070 -4.669 -10.106 1.00 0.00 C ATOM 677 C LEU A 47 1.707 -5.731 -9.207 1.00 0.00 C ATOM 678 O LEU A 47 1.618 -6.925 -9.492 1.00 0.00 O ATOM 679 CB LEU A 47 2.045 -4.048 -11.108 1.00 0.00 C ATOM 680 CG LEU A 47 1.935 -4.549 -12.550 1.00 0.00 C ATOM 681 CD1 LEU A 47 2.340 -6.021 -12.651 1.00 0.00 C ATOM 682 CD2 LEU A 47 0.534 -4.300 -13.111 1.00 0.00 C ATOM 0 H LEU A 47 0.864 -2.708 -9.399 1.00 0.00 H new ATOM 0 HA LEU A 47 0.310 -5.171 -10.704 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.897 -2.968 -11.107 1.00 0.00 H new ATOM 0 HB3 LEU A 47 3.061 -4.231 -10.757 1.00 0.00 H new ATOM 0 HG LEU A 47 2.633 -3.980 -13.164 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.253 -6.352 -13.686 1.00 0.00 H new ATOM 0 HD12 LEU A 47 3.371 -6.138 -12.318 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.685 -6.623 -12.021 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.483 -4.665 -14.137 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.201 -4.826 -12.501 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.320 -3.231 -13.095 1.00 0.00 H new ATOM 694 N GLU A 48 2.332 -5.258 -8.139 1.00 0.00 N ATOM 695 CA GLU A 48 2.983 -6.152 -7.196 1.00 0.00 C ATOM 696 C GLU A 48 1.940 -6.844 -6.315 1.00 0.00 C ATOM 697 O GLU A 48 2.152 -7.967 -5.861 1.00 0.00 O ATOM 698 CB GLU A 48 4.007 -5.401 -6.345 1.00 0.00 C ATOM 699 CG GLU A 48 5.431 -5.853 -6.675 1.00 0.00 C ATOM 700 CD GLU A 48 5.872 -5.325 -8.041 1.00 0.00 C ATOM 701 OE1 GLU A 48 6.178 -4.116 -8.111 1.00 0.00 O ATOM 702 OE2 GLU A 48 5.892 -6.143 -8.986 1.00 0.00 O ATOM 0 H GLU A 48 2.402 -4.268 -7.906 1.00 0.00 H new ATOM 0 HA GLU A 48 3.519 -6.915 -7.760 1.00 0.00 H new ATOM 0 HB2 GLU A 48 3.913 -4.329 -6.518 1.00 0.00 H new ATOM 0 HB3 GLU A 48 3.803 -5.573 -5.288 1.00 0.00 H new ATOM 0 HG2 GLU A 48 6.116 -5.498 -5.905 1.00 0.00 H new ATOM 0 HG3 GLU A 48 5.481 -6.942 -6.669 1.00 0.00 H new ATOM 709 N LEU A 49 0.836 -6.144 -6.099 1.00 0.00 N ATOM 710 CA LEU A 49 -0.240 -6.676 -5.280 1.00 0.00 C ATOM 711 C LEU A 49 -1.117 -7.595 -6.133 1.00 0.00 C ATOM 712 O LEU A 49 -2.000 -8.275 -5.612 1.00 0.00 O ATOM 713 CB LEU A 49 -1.012 -5.541 -4.606 1.00 0.00 C ATOM 714 CG LEU A 49 -0.411 -4.998 -3.308 1.00 0.00 C ATOM 715 CD1 LEU A 49 -1.381 -4.044 -2.610 1.00 0.00 C ATOM 716 CD2 LEU A 49 0.033 -6.139 -2.390 1.00 0.00 C ATOM 0 H LEU A 49 0.663 -5.213 -6.477 1.00 0.00 H new ATOM 0 HA LEU A 49 0.163 -7.282 -4.468 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -1.100 -4.717 -5.315 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -2.023 -5.890 -4.396 1.00 0.00 H new ATOM 0 HG LEU A 49 0.480 -4.422 -3.559 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.928 -3.673 -1.690 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -1.603 -3.205 -3.269 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -2.304 -4.573 -2.372 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.456 -5.726 -1.475 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.826 -6.763 -2.143 1.00 0.00 H new ATOM 0 HD23 LEU A 49 0.785 -6.743 -2.898 1.00 0.00 H new ATOM 728 N GLN A 50 -0.843 -7.586 -7.429 1.00 0.00 N ATOM 729 CA GLN A 50 -1.597 -8.411 -8.358 1.00 0.00 C ATOM 730 C GLN A 50 -0.700 -9.504 -8.945 1.00 0.00 C ATOM 731 O GLN A 50 -1.045 -10.120 -9.952 1.00 0.00 O ATOM 732 CB GLN A 50 -2.217 -7.559 -9.467 1.00 0.00 C ATOM 733 CG GLN A 50 -3.175 -8.388 -10.324 1.00 0.00 C ATOM 734 CD GLN A 50 -4.385 -7.557 -10.757 1.00 0.00 C ATOM 735 OE1 GLN A 50 -5.517 -7.824 -10.389 1.00 0.00 O ATOM 736 NE2 GLN A 50 -4.083 -6.536 -11.555 1.00 0.00 N ATOM 0 H GLN A 50 -0.110 -7.021 -7.858 1.00 0.00 H new ATOM 0 HA GLN A 50 -2.411 -8.889 -7.812 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -2.752 -6.717 -9.028 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -1.429 -7.143 -10.095 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -2.651 -8.760 -11.205 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -3.511 -9.259 -9.761 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -3.114 -6.369 -11.825 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -4.821 -5.920 -11.897 1.00 0.00 H new ATOM 745 N SER A 51 0.432 -9.713 -8.287 1.00 0.00 N ATOM 746 CA SER A 51 1.378 -10.722 -8.730 1.00 0.00 C ATOM 747 C SER A 51 1.677 -11.695 -7.588 1.00 0.00 C ATOM 748 O SER A 51 1.460 -12.898 -7.722 1.00 0.00 O ATOM 749 CB SER A 51 2.673 -10.079 -9.231 1.00 0.00 C ATOM 750 OG SER A 51 2.764 -10.103 -10.653 1.00 0.00 O ATOM 0 H SER A 51 0.714 -9.201 -7.451 1.00 0.00 H new ATOM 0 HA SER A 51 0.931 -11.270 -9.559 1.00 0.00 H new ATOM 0 HB2 SER A 51 2.725 -9.048 -8.881 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.528 -10.604 -8.804 1.00 0.00 H new ATOM 0 HG SER A 51 3.603 -9.682 -10.934 1.00 0.00 H new ATOM 756 N GLN A 52 2.170 -11.139 -6.492 1.00 0.00 N ATOM 757 CA GLN A 52 2.502 -11.943 -5.328 1.00 0.00 C ATOM 758 C GLN A 52 1.241 -12.241 -4.513 1.00 0.00 C ATOM 759 O GLN A 52 1.194 -13.223 -3.774 1.00 0.00 O ATOM 760 CB GLN A 52 3.561 -11.251 -4.467 1.00 0.00 C ATOM 761 CG GLN A 52 4.844 -11.008 -5.266 1.00 0.00 C ATOM 762 CD GLN A 52 5.819 -12.176 -5.105 1.00 0.00 C ATOM 763 OE1 GLN A 52 5.564 -13.295 -5.518 1.00 0.00 O ATOM 764 NE2 GLN A 52 6.951 -11.854 -4.483 1.00 0.00 N ATOM 0 H GLN A 52 2.348 -10.140 -6.385 1.00 0.00 H new ATOM 0 HA GLN A 52 2.922 -12.889 -5.671 1.00 0.00 H new ATOM 0 HB2 GLN A 52 3.172 -10.302 -4.099 1.00 0.00 H new ATOM 0 HB3 GLN A 52 3.783 -11.865 -3.594 1.00 0.00 H new ATOM 0 HG2 GLN A 52 4.601 -10.875 -6.320 1.00 0.00 H new ATOM 0 HG3 GLN A 52 5.317 -10.085 -4.930 1.00 0.00 H new ATOM 0 HE21 GLN A 52 7.102 -10.898 -4.162 1.00 0.00 H new ATOM 0 HE22 GLN A 52 7.667 -12.563 -4.328 1.00 0.00 H new ATOM 773 N PHE A 53 0.252 -11.374 -4.675 1.00 0.00 N ATOM 774 CA PHE A 53 -1.005 -11.532 -3.963 1.00 0.00 C ATOM 775 C PHE A 53 -2.163 -11.753 -4.938 1.00 0.00 C ATOM 776 O PHE A 53 -3.142 -12.417 -4.603 1.00 0.00 O ATOM 777 CB PHE A 53 -1.245 -10.235 -3.188 1.00 0.00 C ATOM 778 CG PHE A 53 -0.001 -9.690 -2.484 1.00 0.00 C ATOM 779 CD1 PHE A 53 1.006 -9.139 -3.213 1.00 0.00 C ATOM 780 CD2 PHE A 53 0.097 -9.757 -1.130 1.00 0.00 C ATOM 781 CE1 PHE A 53 2.161 -8.634 -2.559 1.00 0.00 C ATOM 782 CE2 PHE A 53 1.252 -9.252 -0.476 1.00 0.00 C ATOM 783 CZ PHE A 53 2.259 -8.701 -1.204 1.00 0.00 C ATOM 0 H PHE A 53 0.296 -10.560 -5.289 1.00 0.00 H new ATOM 0 HA PHE A 53 -0.953 -12.397 -3.302 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.622 -9.478 -3.876 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -2.024 -10.407 -2.445 1.00 0.00 H new ATOM 0 HD1 PHE A 53 0.927 -9.085 -4.289 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -0.703 -10.194 -0.552 1.00 0.00 H new ATOM 0 HE1 PHE A 53 2.961 -8.197 -3.137 1.00 0.00 H new ATOM 0 HE2 PHE A 53 1.330 -9.306 0.600 1.00 0.00 H new ATOM 0 HZ PHE A 53 3.137 -8.316 -0.706 1.00 0.00 H new ATOM 793 N GLY A 54 -2.012 -11.183 -6.125 1.00 0.00 N ATOM 794 CA GLY A 54 -3.034 -11.310 -7.151 1.00 0.00 C ATOM 795 C GLY A 54 -4.320 -10.594 -6.734 1.00 0.00 C ATOM 796 O GLY A 54 -5.416 -11.120 -6.923 1.00 0.00 O ATOM 0 H GLY A 54 -1.198 -10.633 -6.399 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -2.668 -10.891 -8.088 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -3.243 -12.364 -7.333 1.00 0.00 H new ATOM 800 N VAL A 55 -4.144 -9.406 -6.175 1.00 0.00 N ATOM 801 CA VAL A 55 -5.278 -8.614 -5.731 1.00 0.00 C ATOM 802 C VAL A 55 -6.027 -8.072 -6.951 1.00 0.00 C ATOM 803 O VAL A 55 -5.412 -7.728 -7.958 1.00 0.00 O ATOM 804 CB VAL A 55 -4.805 -7.509 -4.782 1.00 0.00 C ATOM 805 CG1 VAL A 55 -5.985 -6.678 -4.276 1.00 0.00 C ATOM 806 CG2 VAL A 55 -4.006 -8.094 -3.616 1.00 0.00 C ATOM 0 H VAL A 55 -3.234 -8.973 -6.019 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.977 -9.232 -5.168 1.00 0.00 H new ATOM 0 HB VAL A 55 -4.145 -6.846 -5.342 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -5.621 -5.901 -3.604 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -6.495 -6.217 -5.122 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -6.681 -7.323 -3.741 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -3.682 -7.289 -2.957 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -4.633 -8.789 -3.058 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -3.133 -8.621 -4.001 1.00 0.00 H new ATOM 816 N ASP A 56 -7.344 -8.016 -6.819 1.00 0.00 N ATOM 817 CA ASP A 56 -8.183 -7.525 -7.898 1.00 0.00 C ATOM 818 C ASP A 56 -8.864 -6.226 -7.458 1.00 0.00 C ATOM 819 O ASP A 56 -10.040 -6.010 -7.742 1.00 0.00 O ATOM 820 CB ASP A 56 -9.276 -8.535 -8.250 1.00 0.00 C ATOM 821 CG ASP A 56 -8.938 -9.476 -9.407 1.00 0.00 C ATOM 822 OD1 ASP A 56 -7.971 -9.161 -10.132 1.00 0.00 O ATOM 823 OD2 ASP A 56 -9.655 -10.492 -9.541 1.00 0.00 O ATOM 0 H ASP A 56 -7.850 -8.303 -5.981 1.00 0.00 H new ATOM 0 HA ASP A 56 -7.549 -7.361 -8.770 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -9.494 -9.134 -7.366 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -10.187 -7.990 -8.499 1.00 0.00 H new ATOM 828 N ALA A 57 -8.092 -5.396 -6.770 1.00 0.00 N ATOM 829 CA ALA A 57 -8.606 -4.125 -6.288 1.00 0.00 C ATOM 830 C ALA A 57 -8.936 -3.228 -7.482 1.00 0.00 C ATOM 831 O ALA A 57 -8.480 -3.477 -8.597 1.00 0.00 O ATOM 832 CB ALA A 57 -7.585 -3.487 -5.344 1.00 0.00 C ATOM 0 H ALA A 57 -7.116 -5.579 -6.536 1.00 0.00 H new ATOM 0 HA ALA A 57 -9.526 -4.272 -5.722 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -7.970 -2.534 -4.982 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -7.407 -4.151 -4.498 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -6.649 -3.321 -5.878 1.00 0.00 H new ATOM 838 N PRO A 58 -9.748 -2.173 -7.202 1.00 0.00 N ATOM 839 CA PRO A 58 -10.145 -1.237 -8.239 1.00 0.00 C ATOM 840 C PRO A 58 -8.992 -0.297 -8.600 1.00 0.00 C ATOM 841 O PRO A 58 -8.027 -0.175 -7.848 1.00 0.00 O ATOM 842 CB PRO A 58 -11.350 -0.506 -7.671 1.00 0.00 C ATOM 843 CG PRO A 58 -11.301 -0.728 -6.168 1.00 0.00 C ATOM 844 CD PRO A 58 -10.308 -1.845 -5.894 1.00 0.00 C ATOM 0 HA PRO A 58 -10.402 -1.732 -9.175 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -11.311 0.557 -7.910 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -12.277 -0.894 -8.093 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -10.998 0.186 -5.657 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -12.288 -0.993 -5.789 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -9.531 -1.523 -5.200 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -10.798 -2.709 -5.445 1.00 0.00 H new ATOM 852 N VAL A 59 -9.131 0.343 -9.752 1.00 0.00 N ATOM 853 CA VAL A 59 -8.113 1.267 -10.221 1.00 0.00 C ATOM 854 C VAL A 59 -8.776 2.586 -10.626 1.00 0.00 C ATOM 855 O VAL A 59 -8.294 3.661 -10.273 1.00 0.00 O ATOM 856 CB VAL A 59 -7.309 0.630 -11.357 1.00 0.00 C ATOM 857 CG1 VAL A 59 -6.066 1.459 -11.682 1.00 0.00 C ATOM 858 CG2 VAL A 59 -6.933 -0.814 -11.017 1.00 0.00 C ATOM 0 H VAL A 59 -9.933 0.240 -10.374 1.00 0.00 H new ATOM 0 HA VAL A 59 -7.404 1.489 -9.424 1.00 0.00 H new ATOM 0 HB VAL A 59 -7.940 0.612 -12.246 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -5.513 0.984 -12.492 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -6.367 2.461 -11.987 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -5.431 1.524 -10.799 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -6.362 -1.245 -11.840 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -6.329 -0.829 -10.110 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -7.839 -1.398 -10.859 1.00 0.00 H new ATOM 868 N SER A 60 -9.871 2.460 -11.361 1.00 0.00 N ATOM 869 CA SER A 60 -10.605 3.628 -11.818 1.00 0.00 C ATOM 870 C SER A 60 -10.619 4.697 -10.724 1.00 0.00 C ATOM 871 O SER A 60 -9.937 5.715 -10.837 1.00 0.00 O ATOM 872 CB SER A 60 -12.034 3.259 -12.218 1.00 0.00 C ATOM 873 OG SER A 60 -12.281 3.497 -13.601 1.00 0.00 O ATOM 0 H SER A 60 -10.268 1.566 -11.652 1.00 0.00 H new ATOM 0 HA SER A 60 -10.102 4.025 -12.699 1.00 0.00 H new ATOM 0 HB2 SER A 60 -12.213 2.207 -11.994 1.00 0.00 H new ATOM 0 HB3 SER A 60 -12.738 3.837 -11.620 1.00 0.00 H new ATOM 0 HG SER A 60 -13.204 3.247 -13.816 1.00 0.00 H new ATOM 879 N GLU A 61 -11.403 4.431 -9.690 1.00 0.00 N ATOM 880 CA GLU A 61 -11.516 5.357 -8.577 1.00 0.00 C ATOM 881 C GLU A 61 -11.343 4.615 -7.250 1.00 0.00 C ATOM 882 O GLU A 61 -12.111 4.825 -6.313 1.00 0.00 O ATOM 883 CB GLU A 61 -12.849 6.105 -8.618 1.00 0.00 C ATOM 884 CG GLU A 61 -12.636 7.615 -8.498 1.00 0.00 C ATOM 885 CD GLU A 61 -12.573 8.271 -9.879 1.00 0.00 C ATOM 886 OE1 GLU A 61 -13.655 8.657 -10.373 1.00 0.00 O ATOM 887 OE2 GLU A 61 -11.446 8.371 -10.410 1.00 0.00 O ATOM 0 H GLU A 61 -11.967 3.586 -9.600 1.00 0.00 H new ATOM 0 HA GLU A 61 -10.720 6.097 -8.663 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -13.367 5.881 -9.550 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -13.489 5.759 -7.806 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -13.448 8.056 -7.919 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -11.712 7.814 -7.955 1.00 0.00 H new ATOM 894 N PHE A 62 -10.328 3.764 -7.212 1.00 0.00 N ATOM 895 CA PHE A 62 -10.045 2.990 -6.015 1.00 0.00 C ATOM 896 C PHE A 62 -10.179 3.854 -4.758 1.00 0.00 C ATOM 897 O PHE A 62 -10.107 5.080 -4.834 1.00 0.00 O ATOM 898 CB PHE A 62 -8.601 2.500 -6.130 1.00 0.00 C ATOM 899 CG PHE A 62 -7.574 3.622 -6.290 1.00 0.00 C ATOM 900 CD1 PHE A 62 -7.353 4.494 -5.268 1.00 0.00 C ATOM 901 CD2 PHE A 62 -6.880 3.750 -7.453 1.00 0.00 C ATOM 902 CE1 PHE A 62 -6.400 5.535 -5.416 1.00 0.00 C ATOM 903 CE2 PHE A 62 -5.927 4.791 -7.601 1.00 0.00 C ATOM 904 CZ PHE A 62 -5.707 5.662 -6.580 1.00 0.00 C ATOM 0 H PHE A 62 -9.692 3.593 -7.991 1.00 0.00 H new ATOM 0 HA PHE A 62 -10.750 2.163 -5.932 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -8.354 1.919 -5.242 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -8.524 1.826 -6.983 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -7.903 4.393 -4.344 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -7.054 3.059 -8.264 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -6.225 6.226 -4.605 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -5.376 4.892 -8.525 1.00 0.00 H new ATOM 0 HZ PHE A 62 -4.982 6.455 -6.693 1.00 0.00 H new ATOM 914 N ASP A 63 -10.371 3.181 -3.634 1.00 0.00 N ATOM 915 CA ASP A 63 -10.516 3.871 -2.363 1.00 0.00 C ATOM 916 C ASP A 63 -9.155 4.421 -1.929 1.00 0.00 C ATOM 917 O ASP A 63 -8.458 3.800 -1.128 1.00 0.00 O ATOM 918 CB ASP A 63 -11.012 2.921 -1.273 1.00 0.00 C ATOM 919 CG ASP A 63 -11.077 3.525 0.131 1.00 0.00 C ATOM 920 OD1 ASP A 63 -10.425 4.573 0.329 1.00 0.00 O ATOM 921 OD2 ASP A 63 -11.779 2.926 0.974 1.00 0.00 O ATOM 0 H ASP A 63 -10.430 2.164 -3.576 1.00 0.00 H new ATOM 0 HA ASP A 63 -11.240 4.674 -2.496 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -12.006 2.566 -1.546 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -10.358 2.049 -1.247 1.00 0.00 H new ATOM 926 N ARG A 64 -8.819 5.579 -2.477 1.00 0.00 N ATOM 927 CA ARG A 64 -7.554 6.219 -2.155 1.00 0.00 C ATOM 928 C ARG A 64 -7.336 6.233 -0.641 1.00 0.00 C ATOM 929 O ARG A 64 -6.212 6.067 -0.171 1.00 0.00 O ATOM 930 CB ARG A 64 -7.513 7.655 -2.683 1.00 0.00 C ATOM 931 CG ARG A 64 -8.804 8.402 -2.339 1.00 0.00 C ATOM 932 CD ARG A 64 -8.572 9.401 -1.204 1.00 0.00 C ATOM 933 NE ARG A 64 -7.670 10.483 -1.658 1.00 0.00 N ATOM 934 CZ ARG A 64 -8.053 11.507 -2.432 1.00 0.00 C ATOM 935 NH1 ARG A 64 -9.325 11.596 -2.844 1.00 0.00 N ATOM 936 NH2 ARG A 64 -7.166 12.442 -2.796 1.00 0.00 N ATOM 0 H ARG A 64 -9.400 6.091 -3.141 1.00 0.00 H new ATOM 0 HA ARG A 64 -6.761 5.645 -2.634 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -6.659 8.180 -2.254 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -7.371 7.645 -3.764 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -9.171 8.927 -3.221 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -9.575 7.688 -2.049 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -9.523 9.822 -0.879 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -8.138 8.892 -0.343 1.00 0.00 H new ATOM 0 HE ARG A 64 -6.694 10.447 -1.363 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -10.001 10.884 -2.568 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -9.617 12.376 -3.433 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -6.197 12.375 -2.484 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -7.459 13.221 -3.385 1.00 0.00 H new ATOM 950 N LYS A 65 -8.429 6.432 0.080 1.00 0.00 N ATOM 951 CA LYS A 65 -8.371 6.470 1.532 1.00 0.00 C ATOM 952 C LYS A 65 -7.816 5.141 2.051 1.00 0.00 C ATOM 953 O LYS A 65 -7.135 5.107 3.074 1.00 0.00 O ATOM 954 CB LYS A 65 -9.740 6.834 2.113 1.00 0.00 C ATOM 955 CG LYS A 65 -9.903 6.267 3.525 1.00 0.00 C ATOM 956 CD LYS A 65 -10.692 7.230 4.415 1.00 0.00 C ATOM 957 CE LYS A 65 -9.781 8.324 4.977 1.00 0.00 C ATOM 958 NZ LYS A 65 -10.578 9.503 5.383 1.00 0.00 N ATOM 0 H LYS A 65 -9.360 6.569 -0.314 1.00 0.00 H new ATOM 0 HA LYS A 65 -7.690 7.253 1.866 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -9.853 7.918 2.137 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -10.528 6.446 1.468 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -10.416 5.306 3.478 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -8.922 6.083 3.962 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -11.500 7.683 3.841 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -11.154 6.679 5.234 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -9.227 7.940 5.833 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -9.046 8.615 4.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -9.945 10.236 5.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -11.088 9.878 4.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -11.262 9.224 6.115 1.00 0.00 H new ATOM 972 N GLU A 66 -8.129 4.081 1.320 1.00 0.00 N ATOM 973 CA GLU A 66 -7.669 2.754 1.693 1.00 0.00 C ATOM 974 C GLU A 66 -6.247 2.521 1.181 1.00 0.00 C ATOM 975 O GLU A 66 -5.493 1.744 1.765 1.00 0.00 O ATOM 976 CB GLU A 66 -8.623 1.677 1.174 1.00 0.00 C ATOM 977 CG GLU A 66 -8.087 0.277 1.477 1.00 0.00 C ATOM 978 CD GLU A 66 -9.230 -0.734 1.598 1.00 0.00 C ATOM 979 OE1 GLU A 66 -10.141 -0.664 0.745 1.00 0.00 O ATOM 980 OE2 GLU A 66 -9.166 -1.552 2.540 1.00 0.00 O ATOM 0 H GLU A 66 -8.695 4.114 0.472 1.00 0.00 H new ATOM 0 HA GLU A 66 -7.657 2.688 2.781 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -9.603 1.802 1.634 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -8.758 1.794 0.099 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -7.404 -0.034 0.686 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -7.514 0.296 2.404 1.00 0.00 H new ATOM 987 N TRP A 67 -5.922 3.208 0.096 1.00 0.00 N ATOM 988 CA TRP A 67 -4.604 3.086 -0.501 1.00 0.00 C ATOM 989 C TRP A 67 -3.782 4.310 -0.089 1.00 0.00 C ATOM 990 O TRP A 67 -2.765 4.617 -0.709 1.00 0.00 O ATOM 991 CB TRP A 67 -4.703 2.915 -2.019 1.00 0.00 C ATOM 992 CG TRP A 67 -5.731 1.872 -2.461 1.00 0.00 C ATOM 993 CD1 TRP A 67 -6.990 2.078 -2.871 1.00 0.00 C ATOM 994 CD2 TRP A 67 -5.535 0.444 -2.523 1.00 0.00 C ATOM 995 NE1 TRP A 67 -7.617 0.891 -3.191 1.00 0.00 N ATOM 996 CE2 TRP A 67 -6.705 -0.134 -2.973 1.00 0.00 C ATOM 997 CE3 TRP A 67 -4.407 -0.334 -2.209 1.00 0.00 C ATOM 998 CZ2 TRP A 67 -6.859 -1.514 -3.148 1.00 0.00 C ATOM 999 CZ3 TRP A 67 -4.577 -1.712 -2.391 1.00 0.00 C ATOM 1000 CH2 TRP A 67 -5.748 -2.309 -2.842 1.00 0.00 C ATOM 0 H TRP A 67 -6.550 3.852 -0.385 1.00 0.00 H new ATOM 0 HA TRP A 67 -4.099 2.190 -0.140 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -4.959 3.875 -2.467 1.00 0.00 H new ATOM 0 HB3 TRP A 67 -3.724 2.633 -2.407 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -7.455 3.050 -2.942 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -8.575 0.786 -3.526 1.00 0.00 H new ATOM 0 HE3 TRP A 67 -3.482 0.097 -1.855 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -7.786 -1.943 -3.500 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 -3.740 -2.356 -2.165 1.00 0.00 H new ATOM 0 HH2 TRP A 67 -5.801 -3.382 -2.956 1.00 0.00 H new ATOM 1011 N ASP A 68 -4.256 4.977 0.953 1.00 0.00 N ATOM 1012 CA ASP A 68 -3.579 6.160 1.455 1.00 0.00 C ATOM 1013 C ASP A 68 -2.633 5.759 2.590 1.00 0.00 C ATOM 1014 O ASP A 68 -1.574 6.362 2.762 1.00 0.00 O ATOM 1015 CB ASP A 68 -4.580 7.175 2.009 1.00 0.00 C ATOM 1016 CG ASP A 68 -4.025 8.110 3.086 1.00 0.00 C ATOM 1017 OD1 ASP A 68 -2.930 8.663 2.847 1.00 0.00 O ATOM 1018 OD2 ASP A 68 -4.708 8.250 4.123 1.00 0.00 O ATOM 0 H ASP A 68 -5.101 4.720 1.463 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.030 6.610 0.628 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -4.956 7.779 1.183 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -5.432 6.634 2.422 1.00 0.00 H new ATOM 1023 N THR A 69 -3.050 4.746 3.334 1.00 0.00 N ATOM 1024 CA THR A 69 -2.255 4.258 4.447 1.00 0.00 C ATOM 1025 C THR A 69 -1.746 2.844 4.160 1.00 0.00 C ATOM 1026 O THR A 69 -2.293 2.144 3.308 1.00 0.00 O ATOM 1027 CB THR A 69 -3.107 4.351 5.714 1.00 0.00 C ATOM 1028 OG1 THR A 69 -4.445 4.201 5.245 1.00 0.00 O ATOM 1029 CG2 THR A 69 -3.084 5.750 6.333 1.00 0.00 C ATOM 0 H THR A 69 -3.929 4.249 3.188 1.00 0.00 H new ATOM 0 HA THR A 69 -1.363 4.867 4.592 1.00 0.00 H new ATOM 0 HB THR A 69 -2.751 3.625 6.445 1.00 0.00 H new ATOM 0 HG1 THR A 69 -5.068 4.555 5.914 1.00 0.00 H new ATOM 0 HG21 THR A 69 -3.704 5.762 7.229 1.00 0.00 H new ATOM 0 HG22 THR A 69 -2.060 6.014 6.597 1.00 0.00 H new ATOM 0 HG23 THR A 69 -3.471 6.472 5.614 1.00 0.00 H new ATOM 1037 N PRO A 70 -0.677 2.455 4.904 1.00 0.00 N ATOM 1038 CA PRO A 70 -0.088 1.137 4.737 1.00 0.00 C ATOM 1039 C PRO A 70 -0.967 0.059 5.376 1.00 0.00 C ATOM 1040 O PRO A 70 -1.054 -1.057 4.867 1.00 0.00 O ATOM 1041 CB PRO A 70 1.287 1.237 5.379 1.00 0.00 C ATOM 1042 CG PRO A 70 1.238 2.456 6.284 1.00 0.00 C ATOM 1043 CD PRO A 70 -0.002 3.258 5.921 1.00 0.00 C ATOM 0 HA PRO A 70 -0.005 0.843 3.691 1.00 0.00 H new ATOM 0 HB2 PRO A 70 1.518 0.337 5.949 1.00 0.00 H new ATOM 0 HB3 PRO A 70 2.064 1.344 4.622 1.00 0.00 H new ATOM 0 HG2 PRO A 70 1.204 2.153 7.331 1.00 0.00 H new ATOM 0 HG3 PRO A 70 2.135 3.062 6.157 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -0.641 3.415 6.790 1.00 0.00 H new ATOM 0 HD3 PRO A 70 0.262 4.243 5.537 1.00 0.00 H new ATOM 1051 N ASN A 71 -1.596 0.432 6.481 1.00 0.00 N ATOM 1052 CA ASN A 71 -2.466 -0.489 7.193 1.00 0.00 C ATOM 1053 C ASN A 71 -3.695 -0.792 6.332 1.00 0.00 C ATOM 1054 O ASN A 71 -3.965 -1.950 6.018 1.00 0.00 O ATOM 1055 CB ASN A 71 -2.951 0.119 8.511 1.00 0.00 C ATOM 1056 CG ASN A 71 -2.267 -0.548 9.706 1.00 0.00 C ATOM 1057 OD1 ASN A 71 -1.811 -1.678 9.642 1.00 0.00 O ATOM 1058 ND2 ASN A 71 -2.220 0.213 10.795 1.00 0.00 N ATOM 0 H ASN A 71 -1.521 1.359 6.900 1.00 0.00 H new ATOM 0 HA ASN A 71 -1.899 -1.396 7.401 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -2.745 1.189 8.520 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -4.032 0.002 8.594 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -1.782 -0.141 11.646 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -2.621 1.151 10.780 1.00 0.00 H new ATOM 1065 N LYS A 72 -4.404 0.267 5.976 1.00 0.00 N ATOM 1066 CA LYS A 72 -5.598 0.129 5.158 1.00 0.00 C ATOM 1067 C LYS A 72 -5.281 -0.749 3.945 1.00 0.00 C ATOM 1068 O LYS A 72 -6.153 -1.454 3.440 1.00 0.00 O ATOM 1069 CB LYS A 72 -6.159 1.505 4.791 1.00 0.00 C ATOM 1070 CG LYS A 72 -7.434 1.805 5.580 1.00 0.00 C ATOM 1071 CD LYS A 72 -7.793 3.290 5.498 1.00 0.00 C ATOM 1072 CE LYS A 72 -7.662 3.961 6.867 1.00 0.00 C ATOM 1073 NZ LYS A 72 -8.587 3.339 7.840 1.00 0.00 N ATOM 0 H LYS A 72 -4.176 1.226 6.239 1.00 0.00 H new ATOM 0 HA LYS A 72 -6.387 -0.372 5.718 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -5.412 2.272 4.995 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -6.371 1.542 3.722 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -8.257 1.206 5.190 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -7.297 1.517 6.622 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -7.139 3.787 4.781 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -8.813 3.402 5.130 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -6.636 3.874 7.225 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -7.879 5.025 6.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -8.889 4.051 8.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -9.420 2.969 7.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -8.103 2.560 8.330 1.00 0.00 H new ATOM 1087 N ILE A 73 -4.030 -0.678 3.515 1.00 0.00 N ATOM 1088 CA ILE A 73 -3.586 -1.457 2.372 1.00 0.00 C ATOM 1089 C ILE A 73 -3.290 -2.890 2.821 1.00 0.00 C ATOM 1090 O ILE A 73 -3.783 -3.846 2.223 1.00 0.00 O ATOM 1091 CB ILE A 73 -2.405 -0.773 1.681 1.00 0.00 C ATOM 1092 CG1 ILE A 73 -2.870 0.441 0.875 1.00 0.00 C ATOM 1093 CG2 ILE A 73 -1.622 -1.767 0.821 1.00 0.00 C ATOM 1094 CD1 ILE A 73 -1.702 1.076 0.117 1.00 0.00 C ATOM 0 H ILE A 73 -3.310 -0.093 3.938 1.00 0.00 H new ATOM 0 HA ILE A 73 -4.374 -1.513 1.621 1.00 0.00 H new ATOM 0 HB ILE A 73 -1.724 -0.407 2.450 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -3.644 0.139 0.170 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -3.317 1.177 1.544 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -0.788 -1.255 0.341 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -1.240 -2.571 1.450 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -2.279 -2.184 0.058 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -2.060 1.937 -0.448 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -0.940 1.399 0.827 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -1.273 0.345 -0.568 1.00 0.00 H new ATOM 1106 N ILE A 74 -2.487 -2.993 3.870 1.00 0.00 N ATOM 1107 CA ILE A 74 -2.120 -4.293 4.405 1.00 0.00 C ATOM 1108 C ILE A 74 -3.383 -5.132 4.607 1.00 0.00 C ATOM 1109 O ILE A 74 -3.331 -6.361 4.559 1.00 0.00 O ATOM 1110 CB ILE A 74 -1.280 -4.132 5.674 1.00 0.00 C ATOM 1111 CG1 ILE A 74 0.209 -4.037 5.337 1.00 0.00 C ATOM 1112 CG2 ILE A 74 -1.572 -5.254 6.672 1.00 0.00 C ATOM 1113 CD1 ILE A 74 1.019 -3.581 6.552 1.00 0.00 C ATOM 0 H ILE A 74 -2.081 -2.198 4.363 1.00 0.00 H new ATOM 0 HA ILE A 74 -1.489 -4.831 3.698 1.00 0.00 H new ATOM 0 HB ILE A 74 -1.562 -3.195 6.153 1.00 0.00 H new ATOM 0 HG12 ILE A 74 0.571 -5.007 4.998 1.00 0.00 H new ATOM 0 HG13 ILE A 74 0.355 -3.337 4.515 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -0.962 -5.115 7.564 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -2.627 -5.231 6.947 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -1.336 -6.216 6.217 1.00 0.00 H new ATOM 0 HD11 ILE A 74 2.074 -3.522 6.285 1.00 0.00 H new ATOM 0 HD12 ILE A 74 0.671 -2.600 6.874 1.00 0.00 H new ATOM 0 HD13 ILE A 74 0.890 -4.296 7.364 1.00 0.00 H new ATOM 1125 N ALA A 75 -4.488 -4.436 4.830 1.00 0.00 N ATOM 1126 CA ALA A 75 -5.763 -5.102 5.040 1.00 0.00 C ATOM 1127 C ALA A 75 -6.381 -5.450 3.684 1.00 0.00 C ATOM 1128 O ALA A 75 -6.991 -6.507 3.529 1.00 0.00 O ATOM 1129 CB ALA A 75 -6.673 -4.208 5.883 1.00 0.00 C ATOM 0 H ALA A 75 -4.527 -3.418 4.870 1.00 0.00 H new ATOM 0 HA ALA A 75 -5.624 -6.034 5.588 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -7.629 -4.707 6.040 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -6.202 -4.014 6.847 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -6.838 -3.264 5.364 1.00 0.00 H new ATOM 1135 N LYS A 76 -6.201 -4.541 2.737 1.00 0.00 N ATOM 1136 CA LYS A 76 -6.733 -4.739 1.399 1.00 0.00 C ATOM 1137 C LYS A 76 -6.055 -5.952 0.760 1.00 0.00 C ATOM 1138 O LYS A 76 -6.588 -6.542 -0.180 1.00 0.00 O ATOM 1139 CB LYS A 76 -6.602 -3.457 0.575 1.00 0.00 C ATOM 1140 CG LYS A 76 -7.621 -3.432 -0.567 1.00 0.00 C ATOM 1141 CD LYS A 76 -9.048 -3.562 -0.031 1.00 0.00 C ATOM 1142 CE LYS A 76 -10.053 -2.930 -0.997 1.00 0.00 C ATOM 1143 NZ LYS A 76 -11.437 -3.145 -0.516 1.00 0.00 N ATOM 0 H LYS A 76 -5.694 -3.666 2.869 1.00 0.00 H new ATOM 0 HA LYS A 76 -7.800 -4.955 1.442 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -6.751 -2.590 1.219 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -5.593 -3.383 0.169 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -7.522 -2.502 -1.127 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -7.414 -4.246 -1.262 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -9.291 -4.614 0.116 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -9.120 -3.079 0.943 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -9.855 -1.862 -1.090 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -9.935 -3.364 -1.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -12.107 -2.711 -1.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -11.627 -4.165 -0.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -11.550 -2.710 0.422 1.00 0.00 H new ATOM 1157 N VAL A 77 -4.889 -6.289 1.293 1.00 0.00 N ATOM 1158 CA VAL A 77 -4.133 -7.421 0.786 1.00 0.00 C ATOM 1159 C VAL A 77 -4.735 -8.717 1.332 1.00 0.00 C ATOM 1160 O VAL A 77 -4.897 -9.689 0.596 1.00 0.00 O ATOM 1161 CB VAL A 77 -2.652 -7.259 1.132 1.00 0.00 C ATOM 1162 CG1 VAL A 77 -1.848 -8.484 0.693 1.00 0.00 C ATOM 1163 CG2 VAL A 77 -2.082 -5.979 0.515 1.00 0.00 C ATOM 0 H VAL A 77 -4.450 -5.797 2.071 1.00 0.00 H new ATOM 0 HA VAL A 77 -4.196 -7.465 -0.301 1.00 0.00 H new ATOM 0 HB VAL A 77 -2.569 -7.175 2.216 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -0.799 -8.342 0.951 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -2.230 -9.370 1.200 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -1.942 -8.614 -0.385 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -1.028 -5.887 0.776 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -2.185 -6.021 -0.569 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.627 -5.116 0.898 1.00 0.00 H new ATOM 1173 N GLU A 78 -5.051 -8.689 2.618 1.00 0.00 N ATOM 1174 CA GLU A 78 -5.633 -9.850 3.271 1.00 0.00 C ATOM 1175 C GLU A 78 -7.103 -10.002 2.874 1.00 0.00 C ATOM 1176 O GLU A 78 -7.647 -11.105 2.904 1.00 0.00 O ATOM 1177 CB GLU A 78 -5.482 -9.758 4.791 1.00 0.00 C ATOM 1178 CG GLU A 78 -4.008 -9.814 5.200 1.00 0.00 C ATOM 1179 CD GLU A 78 -3.660 -11.174 5.809 1.00 0.00 C ATOM 1180 OE1 GLU A 78 -3.744 -12.170 5.059 1.00 0.00 O ATOM 1181 OE2 GLU A 78 -3.319 -11.185 7.012 1.00 0.00 O ATOM 0 H GLU A 78 -4.915 -7.881 3.226 1.00 0.00 H new ATOM 0 HA GLU A 78 -5.094 -10.737 2.939 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -5.927 -8.830 5.149 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -6.026 -10.576 5.264 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -3.378 -9.629 4.330 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -3.796 -9.024 5.920 1.00 0.00 H new ATOM 1188 N GLN A 79 -7.703 -8.878 2.513 1.00 0.00 N ATOM 1189 CA GLN A 79 -9.100 -8.872 2.110 1.00 0.00 C ATOM 1190 C GLN A 79 -9.217 -9.064 0.597 1.00 0.00 C ATOM 1191 O GLN A 79 -10.231 -8.706 0.000 1.00 0.00 O ATOM 1192 CB GLN A 79 -9.793 -7.583 2.555 1.00 0.00 C ATOM 1193 CG GLN A 79 -10.650 -7.822 3.801 1.00 0.00 C ATOM 1194 CD GLN A 79 -11.611 -6.655 4.038 1.00 0.00 C ATOM 1195 OE1 GLN A 79 -12.560 -6.441 3.303 1.00 0.00 O ATOM 1196 NE2 GLN A 79 -11.311 -5.916 5.102 1.00 0.00 N ATOM 0 H GLN A 79 -7.248 -7.965 2.491 1.00 0.00 H new ATOM 0 HA GLN A 79 -9.603 -9.704 2.602 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -9.045 -6.818 2.765 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -10.418 -7.204 1.746 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -11.216 -8.746 3.685 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -10.006 -7.950 4.671 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -10.501 -6.152 5.675 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -11.891 -5.113 5.345 1.00 0.00 H new ATOM 1205 N ALA A 80 -8.166 -9.628 0.021 1.00 0.00 N ATOM 1206 CA ALA A 80 -8.139 -9.871 -1.411 1.00 0.00 C ATOM 1207 C ALA A 80 -7.220 -11.059 -1.705 1.00 0.00 C ATOM 1208 O ALA A 80 -6.695 -11.185 -2.810 1.00 0.00 O ATOM 1209 CB ALA A 80 -7.695 -8.599 -2.137 1.00 0.00 C ATOM 0 H ALA A 80 -7.327 -9.924 0.520 1.00 0.00 H new ATOM 0 HA ALA A 80 -9.134 -10.125 -1.775 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -7.675 -8.782 -3.211 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -8.395 -7.792 -1.919 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -6.698 -8.316 -1.798 1.00 0.00 H new ATOM 1215 N GLN A 81 -7.056 -11.903 -0.695 1.00 0.00 N ATOM 1216 CA GLN A 81 -6.211 -13.077 -0.831 1.00 0.00 C ATOM 1217 C GLN A 81 -6.983 -14.211 -1.508 1.00 0.00 C ATOM 1218 O GLN A 81 -7.705 -14.955 -0.846 1.00 0.00 O ATOM 1219 CB GLN A 81 -5.665 -13.519 0.528 1.00 0.00 C ATOM 1220 CG GLN A 81 -4.299 -12.886 0.802 1.00 0.00 C ATOM 1221 CD GLN A 81 -3.315 -13.191 -0.329 1.00 0.00 C ATOM 1222 OE1 GLN A 81 -3.006 -14.334 -0.625 1.00 0.00 O ATOM 1223 NE2 GLN A 81 -2.842 -12.110 -0.942 1.00 0.00 N ATOM 0 H GLN A 81 -7.494 -11.796 0.220 1.00 0.00 H new ATOM 0 HA GLN A 81 -5.360 -12.818 -1.461 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -6.365 -13.237 1.314 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -5.578 -14.605 0.553 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -4.410 -11.807 0.911 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -3.903 -13.263 1.745 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -3.143 -11.182 -0.644 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -2.179 -12.209 -1.711 1.00 0.00 H new