USER MOD reduce.3.24.130724 H: found=0, std=0, add=971, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 973 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 45 THR OG1 : rot 180:sc= -0.0176 USER MOD Set 1.2: A 48 GLN : amide:sc= -0.169 K(o=-0.19,f=-0.97) USER MOD Set 2.1: A 21 THR OG1 : rot -14:sc= 2.11 USER MOD Set 2.2: A 100 GLN : amide:sc= -0.0532 K(o=2.1,f=1) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 13 ASN :FLIP amide:sc= -4.56! C(o=-7.8!,f=-4.6!) USER MOD Single : A 15 ASN : amide:sc= -0.289 X(o=-0.29,f=-0.52) USER MOD Single : A 16 ASN : amide:sc= -3.75 K(o=-3.7,f=-5.3!) USER MOD Single : A 31 ASN : amide:sc= -2.23 K(o=-2.2,f=-2.8!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -145:sc= -0.626 (180deg=-2.26!) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0.0231 USER MOD Single : A 63 GLN : amide:sc= -3.27 K(o=-3.3,f=-4.5) USER MOD Single : A 64 HIS : no HE2:sc= -18.3! C(o=-18!,f=-25!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 HIS :FLIP no HD1:sc= -0.511 F(o=-1.4,f=-0.51) USER MOD Single : A 81 THR OG1 : rot -156:sc= -0.925 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 MET CE :methyl 176:sc= -0.399 (180deg=-0.535) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 111 ASN : amide:sc=-0.00488 X(o=-0.0049,f=-0.12) USER MOD Single : A 119 ASN : amide:sc= -2.21! C(o=-2.2!,f=-7.3!) USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0664) USER MOD ----------------------------------------------------------------- ATOM 20 N LYS A 2 -21.882 -6.083 -3.802 1.00 0.00 N ATOM 21 CA LYS A 2 -20.824 -5.169 -4.217 1.00 0.00 C ATOM 22 C LYS A 2 -19.491 -5.559 -3.587 1.00 0.00 C ATOM 23 O LYS A 2 -19.377 -5.663 -2.366 1.00 0.00 O ATOM 24 CB LYS A 2 -21.183 -3.732 -3.832 1.00 0.00 C ATOM 25 CG LYS A 2 -20.446 -2.682 -4.648 1.00 0.00 C ATOM 26 CD LYS A 2 -20.528 -1.312 -3.996 1.00 0.00 C ATOM 27 CE LYS A 2 -21.955 -0.788 -3.978 1.00 0.00 C ATOM 28 NZ LYS A 2 -22.256 -0.038 -2.727 1.00 0.00 N ATOM 0 HA LYS A 2 -20.726 -5.234 -5.301 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -22.256 -3.589 -3.956 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -20.961 -3.581 -2.776 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -19.401 -2.972 -4.757 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -20.870 -2.635 -5.651 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -20.148 -1.370 -2.976 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -19.889 -0.612 -4.535 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -22.114 -0.138 -4.838 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -22.649 -1.622 -4.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -23.238 0.302 -2.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -22.130 -0.665 -1.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -21.611 0.773 -2.645 1.00 0.00 H new ATOM 42 N LYS A 3 -18.485 -5.772 -4.429 1.00 0.00 N ATOM 43 CA LYS A 3 -17.159 -6.150 -3.954 1.00 0.00 C ATOM 44 C LYS A 3 -16.078 -5.324 -4.644 1.00 0.00 C ATOM 45 O LYS A 3 -16.190 -5.001 -5.827 1.00 0.00 O ATOM 46 CB LYS A 3 -16.912 -7.640 -4.200 1.00 0.00 C ATOM 47 CG LYS A 3 -16.889 -8.019 -5.672 1.00 0.00 C ATOM 48 CD LYS A 3 -17.307 -9.466 -5.881 1.00 0.00 C ATOM 49 CE LYS A 3 -18.759 -9.568 -6.320 1.00 0.00 C ATOM 50 NZ LYS A 3 -18.892 -9.569 -7.803 1.00 0.00 N ATOM 0 H LYS A 3 -18.563 -5.689 -5.443 1.00 0.00 H new ATOM 0 HA LYS A 3 -17.114 -5.953 -2.883 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -15.962 -7.922 -3.746 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -17.689 -8.216 -3.697 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -17.557 -7.362 -6.229 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -15.887 -7.867 -6.072 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -16.665 -9.926 -6.632 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -17.165 -10.024 -4.956 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -19.197 -10.480 -5.916 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -19.323 -8.733 -5.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -19.897 -9.640 -8.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -18.497 -8.687 -8.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -18.375 -10.381 -8.197 1.00 0.00 H new ATOM 64 N LEU A 4 -15.033 -4.983 -3.897 1.00 0.00 N ATOM 65 CA LEU A 4 -13.933 -4.194 -4.437 1.00 0.00 C ATOM 66 C LEU A 4 -12.605 -4.607 -3.808 1.00 0.00 C ATOM 67 O LEU A 4 -12.477 -4.668 -2.585 1.00 0.00 O ATOM 68 CB LEU A 4 -14.185 -2.704 -4.202 1.00 0.00 C ATOM 69 CG LEU A 4 -14.554 -2.331 -2.766 1.00 0.00 C ATOM 70 CD1 LEU A 4 -13.300 -2.096 -1.938 1.00 0.00 C ATOM 71 CD2 LEU A 4 -15.447 -1.099 -2.750 1.00 0.00 C ATOM 0 H LEU A 4 -14.925 -5.241 -2.916 1.00 0.00 H new ATOM 0 HA LEU A 4 -13.876 -4.380 -5.510 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -13.291 -2.150 -4.487 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -14.987 -2.377 -4.864 1.00 0.00 H new ATOM 0 HG LEU A 4 -15.106 -3.160 -2.323 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -13.581 -1.831 -0.919 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -12.698 -3.004 -1.924 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -12.721 -1.283 -2.377 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -15.701 -0.847 -1.720 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -14.921 -0.262 -3.210 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -16.360 -1.304 -3.309 1.00 0.00 H new ATOM 83 N GLN A 5 -11.625 -4.902 -4.655 1.00 0.00 N ATOM 84 CA GLN A 5 -10.308 -5.325 -4.193 1.00 0.00 C ATOM 85 C GLN A 5 -9.279 -4.207 -4.281 1.00 0.00 C ATOM 86 O GLN A 5 -9.389 -3.299 -5.105 1.00 0.00 O ATOM 87 CB GLN A 5 -9.818 -6.512 -5.013 1.00 0.00 C ATOM 88 CG GLN A 5 -10.811 -7.653 -5.052 1.00 0.00 C ATOM 89 CD GLN A 5 -10.181 -8.968 -5.470 1.00 0.00 C ATOM 90 OE1 GLN A 5 -9.090 -8.993 -6.038 1.00 0.00 O ATOM 91 NE2 GLN A 5 -10.869 -10.069 -5.189 1.00 0.00 N ATOM 0 H GLN A 5 -11.719 -4.856 -5.670 1.00 0.00 H new ATOM 0 HA GLN A 5 -10.417 -5.607 -3.146 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -9.611 -6.183 -6.031 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -8.877 -6.871 -4.596 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -11.263 -7.769 -4.067 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -11.615 -7.405 -5.744 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -11.770 -10.000 -4.716 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -10.496 -10.983 -5.446 1.00 0.00 H new ATOM 100 N ILE A 6 -8.267 -4.306 -3.431 1.00 0.00 N ATOM 101 CA ILE A 6 -7.181 -3.342 -3.390 1.00 0.00 C ATOM 102 C ILE A 6 -5.881 -4.048 -3.013 1.00 0.00 C ATOM 103 O ILE A 6 -5.847 -4.829 -2.062 1.00 0.00 O ATOM 104 CB ILE A 6 -7.471 -2.209 -2.383 1.00 0.00 C ATOM 105 CG1 ILE A 6 -8.610 -1.327 -2.893 1.00 0.00 C ATOM 106 CG2 ILE A 6 -6.223 -1.374 -2.135 1.00 0.00 C ATOM 107 CD1 ILE A 6 -8.310 -0.655 -4.215 1.00 0.00 C ATOM 0 H ILE A 6 -8.177 -5.060 -2.749 1.00 0.00 H new ATOM 0 HA ILE A 6 -7.086 -2.897 -4.380 1.00 0.00 H new ATOM 0 HB ILE A 6 -7.773 -2.659 -1.437 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -9.509 -1.934 -2.999 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -8.828 -0.562 -2.147 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -6.451 -0.582 -1.422 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -5.435 -2.009 -1.731 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -5.888 -0.932 -3.074 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -9.162 -0.046 -4.515 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -7.430 -0.021 -4.109 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -8.121 -1.414 -4.974 1.00 0.00 H new ATOM 119 N ALA A 7 -4.814 -3.774 -3.754 1.00 0.00 N ATOM 120 CA ALA A 7 -3.525 -4.395 -3.474 1.00 0.00 C ATOM 121 C ALA A 7 -2.464 -3.331 -3.272 1.00 0.00 C ATOM 122 O ALA A 7 -2.266 -2.483 -4.133 1.00 0.00 O ATOM 123 CB ALA A 7 -3.131 -5.333 -4.607 1.00 0.00 C ATOM 0 H ALA A 7 -4.815 -3.132 -4.546 1.00 0.00 H new ATOM 0 HA ALA A 7 -3.610 -4.979 -2.558 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -2.167 -5.789 -4.383 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -3.885 -6.113 -4.713 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -3.059 -4.770 -5.537 1.00 0.00 H new ATOM 129 N VAL A 8 -1.785 -3.374 -2.133 1.00 0.00 N ATOM 130 CA VAL A 8 -0.754 -2.388 -1.834 1.00 0.00 C ATOM 131 C VAL A 8 0.602 -3.035 -1.600 1.00 0.00 C ATOM 132 O VAL A 8 0.702 -4.233 -1.339 1.00 0.00 O ATOM 133 CB VAL A 8 -1.124 -1.519 -0.604 1.00 0.00 C ATOM 134 CG1 VAL A 8 -2.609 -1.626 -0.282 1.00 0.00 C ATOM 135 CG2 VAL A 8 -0.284 -1.901 0.609 1.00 0.00 C ATOM 0 H VAL A 8 -1.928 -4.075 -1.406 1.00 0.00 H new ATOM 0 HA VAL A 8 -0.690 -1.746 -2.713 1.00 0.00 H new ATOM 0 HB VAL A 8 -0.906 -0.481 -0.856 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -2.839 -1.006 0.585 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -3.192 -1.285 -1.137 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -2.860 -2.664 -0.063 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -0.564 -1.276 1.457 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -0.458 -2.948 0.857 1.00 0.00 H new ATOM 0 HG23 VAL A 8 0.772 -1.752 0.382 1.00 0.00 H new ATOM 145 N GLY A 9 1.640 -2.214 -1.683 1.00 0.00 N ATOM 146 CA GLY A 9 2.988 -2.687 -1.467 1.00 0.00 C ATOM 147 C GLY A 9 3.886 -1.594 -0.924 1.00 0.00 C ATOM 148 O GLY A 9 4.177 -0.621 -1.620 1.00 0.00 O ATOM 0 H GLY A 9 1.568 -1.220 -1.898 1.00 0.00 H new ATOM 0 HA2 GLY A 9 2.972 -3.525 -0.770 1.00 0.00 H new ATOM 0 HA3 GLY A 9 3.397 -3.061 -2.406 1.00 0.00 H new ATOM 152 N ILE A 10 4.330 -1.752 0.316 1.00 0.00 N ATOM 153 CA ILE A 10 5.207 -0.760 0.937 1.00 0.00 C ATOM 154 C ILE A 10 6.584 -0.813 0.290 1.00 0.00 C ATOM 155 O ILE A 10 7.335 -1.766 0.493 1.00 0.00 O ATOM 156 CB ILE A 10 5.357 -0.957 2.471 1.00 0.00 C ATOM 157 CG1 ILE A 10 4.566 -2.172 2.971 1.00 0.00 C ATOM 158 CG2 ILE A 10 4.913 0.299 3.208 1.00 0.00 C ATOM 159 CD1 ILE A 10 4.645 -2.373 4.469 1.00 0.00 C ATOM 0 H ILE A 10 4.102 -2.549 0.910 1.00 0.00 H new ATOM 0 HA ILE A 10 4.742 0.213 0.778 1.00 0.00 H new ATOM 0 HB ILE A 10 6.411 -1.143 2.677 1.00 0.00 H new ATOM 0 HG12 ILE A 10 3.521 -2.058 2.683 1.00 0.00 H new ATOM 0 HG13 ILE A 10 4.938 -3.067 2.473 1.00 0.00 H new ATOM 0 HG21 ILE A 10 5.023 0.149 4.282 1.00 0.00 H new ATOM 0 HG22 ILE A 10 5.529 1.142 2.895 1.00 0.00 H new ATOM 0 HG23 ILE A 10 3.869 0.507 2.976 1.00 0.00 H new ATOM 0 HD11 ILE A 10 4.062 -3.250 4.750 1.00 0.00 H new ATOM 0 HD12 ILE A 10 5.685 -2.519 4.762 1.00 0.00 H new ATOM 0 HD13 ILE A 10 4.245 -1.494 4.976 1.00 0.00 H new ATOM 171 N ILE A 11 6.902 0.206 -0.503 1.00 0.00 N ATOM 172 CA ILE A 11 8.184 0.259 -1.201 1.00 0.00 C ATOM 173 C ILE A 11 9.336 0.528 -0.242 1.00 0.00 C ATOM 174 O ILE A 11 9.334 1.515 0.490 1.00 0.00 O ATOM 175 CB ILE A 11 8.197 1.331 -2.308 1.00 0.00 C ATOM 176 CG1 ILE A 11 6.812 1.465 -2.951 1.00 0.00 C ATOM 177 CG2 ILE A 11 9.243 0.978 -3.356 1.00 0.00 C ATOM 178 CD1 ILE A 11 6.830 2.173 -4.289 1.00 0.00 C ATOM 0 H ILE A 11 6.292 1.004 -0.678 1.00 0.00 H new ATOM 0 HA ILE A 11 8.316 -0.722 -1.658 1.00 0.00 H new ATOM 0 HB ILE A 11 8.454 2.292 -1.862 1.00 0.00 H new ATOM 0 HG12 ILE A 11 6.384 0.471 -3.081 1.00 0.00 H new ATOM 0 HG13 ILE A 11 6.156 2.008 -2.271 1.00 0.00 H new ATOM 0 HG21 ILE A 11 9.248 1.739 -4.136 1.00 0.00 H new ATOM 0 HG22 ILE A 11 10.226 0.932 -2.888 1.00 0.00 H new ATOM 0 HG23 ILE A 11 9.005 0.009 -3.796 1.00 0.00 H new ATOM 0 HD11 ILE A 11 5.816 2.231 -4.684 1.00 0.00 H new ATOM 0 HD12 ILE A 11 7.228 3.180 -4.163 1.00 0.00 H new ATOM 0 HD13 ILE A 11 7.459 1.619 -4.985 1.00 0.00 H new ATOM 190 N ARG A 12 10.320 -0.365 -0.256 1.00 0.00 N ATOM 191 CA ARG A 12 11.487 -0.241 0.609 1.00 0.00 C ATOM 192 C ARG A 12 12.565 0.620 -0.032 1.00 0.00 C ATOM 193 O ARG A 12 13.023 0.338 -1.143 1.00 0.00 O ATOM 194 CB ARG A 12 12.061 -1.619 0.934 1.00 0.00 C ATOM 195 CG ARG A 12 11.776 -2.070 2.356 1.00 0.00 C ATOM 196 CD ARG A 12 13.056 -2.235 3.160 1.00 0.00 C ATOM 197 NE ARG A 12 12.789 -2.627 4.542 1.00 0.00 N ATOM 198 CZ ARG A 12 13.699 -3.169 5.347 1.00 0.00 C ATOM 199 NH1 ARG A 12 14.935 -3.385 4.914 1.00 0.00 N ATOM 200 NH2 ARG A 12 13.373 -3.497 6.590 1.00 0.00 N ATOM 0 H ARG A 12 10.332 -1.187 -0.860 1.00 0.00 H new ATOM 0 HA ARG A 12 11.161 0.243 1.530 1.00 0.00 H new ATOM 0 HB2 ARG A 12 11.648 -2.350 0.239 1.00 0.00 H new ATOM 0 HB3 ARG A 12 13.139 -1.602 0.775 1.00 0.00 H new ATOM 0 HG2 ARG A 12 11.130 -1.342 2.846 1.00 0.00 H new ATOM 0 HG3 ARG A 12 11.234 -3.015 2.336 1.00 0.00 H new ATOM 0 HD2 ARG A 12 13.687 -2.986 2.686 1.00 0.00 H new ATOM 0 HD3 ARG A 12 13.613 -1.298 3.150 1.00 0.00 H new ATOM 0 HE ARG A 12 11.850 -2.476 4.911 1.00 0.00 H new ATOM 0 HH11 ARG A 12 15.192 -3.135 3.959 1.00 0.00 H new ATOM 0 HH12 ARG A 12 15.628 -3.801 5.536 1.00 0.00 H new ATOM 0 HH21 ARG A 12 12.425 -3.334 6.929 1.00 0.00 H new ATOM 0 HH22 ARG A 12 14.070 -3.913 7.207 1.00 0.00 H new ATOM 214 N ASN A 13 12.961 1.665 0.689 1.00 0.00 N ATOM 215 CA ASN A 13 13.990 2.592 0.225 1.00 0.00 C ATOM 216 C ASN A 13 15.388 2.028 0.421 1.00 0.00 C ATOM 217 O ASN A 13 15.572 0.865 0.781 1.00 0.00 O ATOM 218 CB ASN A 13 13.883 3.932 0.943 1.00 0.00 C ATOM 219 CG ASN A 13 14.527 5.088 0.193 1.00 0.00 C ATOM 220 OD1 ASN A 13 14.471 5.055 -1.135 1.00 0.00 O flip ATOM 221 ND2 ASN A 13 15.071 6.006 0.805 1.00 0.00 N flip ATOM 0 H ASN A 13 12.580 1.893 1.607 1.00 0.00 H new ATOM 0 HA ASN A 13 13.822 2.739 -0.842 1.00 0.00 H new ATOM 0 HB2 ASN A 13 12.830 4.161 1.108 1.00 0.00 H new ATOM 0 HB3 ASN A 13 14.348 3.845 1.925 1.00 0.00 H new ATOM 0 HD21 ASN A 13 15.094 5.996 1.825 1.00 0.00 H new ATOM 0 HD22 ASN A 13 15.499 6.777 0.293 1.00 0.00 H new ATOM 228 N GLU A 14 16.363 2.880 0.161 1.00 0.00 N ATOM 229 CA GLU A 14 17.774 2.529 0.275 1.00 0.00 C ATOM 230 C GLU A 14 18.280 2.638 1.717 1.00 0.00 C ATOM 231 O GLU A 14 19.464 2.430 1.979 1.00 0.00 O ATOM 232 CB GLU A 14 18.589 3.452 -0.634 1.00 0.00 C ATOM 233 CG GLU A 14 20.094 3.242 -0.550 1.00 0.00 C ATOM 234 CD GLU A 14 20.494 1.789 -0.722 1.00 0.00 C ATOM 235 OE1 GLU A 14 20.048 0.949 0.087 1.00 0.00 O ATOM 236 OE2 GLU A 14 21.254 1.491 -1.668 1.00 0.00 O ATOM 0 H GLU A 14 16.201 3.842 -0.137 1.00 0.00 H new ATOM 0 HA GLU A 14 17.893 1.490 -0.031 1.00 0.00 H new ATOM 0 HB2 GLU A 14 18.270 3.302 -1.665 1.00 0.00 H new ATOM 0 HB3 GLU A 14 18.363 4.487 -0.378 1.00 0.00 H new ATOM 0 HG2 GLU A 14 20.584 3.842 -1.317 1.00 0.00 H new ATOM 0 HG3 GLU A 14 20.453 3.602 0.414 1.00 0.00 H new ATOM 243 N ASN A 15 17.391 2.965 2.651 1.00 0.00 N ATOM 244 CA ASN A 15 17.784 3.099 4.052 1.00 0.00 C ATOM 245 C ASN A 15 16.772 2.429 4.976 1.00 0.00 C ATOM 246 O ASN A 15 16.303 3.033 5.941 1.00 0.00 O ATOM 247 CB ASN A 15 17.931 4.576 4.421 1.00 0.00 C ATOM 248 CG ASN A 15 18.454 4.770 5.831 1.00 0.00 C ATOM 249 OD1 ASN A 15 19.480 4.204 6.208 1.00 0.00 O ATOM 250 ND2 ASN A 15 17.748 5.573 6.618 1.00 0.00 N ATOM 0 H ASN A 15 16.403 3.141 2.467 1.00 0.00 H new ATOM 0 HA ASN A 15 18.744 2.600 4.180 1.00 0.00 H new ATOM 0 HB2 ASN A 15 18.608 5.058 3.716 1.00 0.00 H new ATOM 0 HB3 ASN A 15 16.964 5.070 4.324 1.00 0.00 H new ATOM 0 HD21 ASN A 15 18.050 5.742 7.577 1.00 0.00 H new ATOM 0 HD22 ASN A 15 16.903 6.021 6.263 1.00 0.00 H new ATOM 257 N ASN A 16 16.437 1.178 4.669 1.00 0.00 N ATOM 258 CA ASN A 16 15.476 0.413 5.465 1.00 0.00 C ATOM 259 C ASN A 16 14.239 1.247 5.798 1.00 0.00 C ATOM 260 O ASN A 16 13.562 1.003 6.796 1.00 0.00 O ATOM 261 CB ASN A 16 16.131 -0.099 6.752 1.00 0.00 C ATOM 262 CG ASN A 16 16.497 1.020 7.709 1.00 0.00 C ATOM 263 OD1 ASN A 16 15.654 1.838 8.077 1.00 0.00 O ATOM 264 ND2 ASN A 16 17.760 1.060 8.118 1.00 0.00 N ATOM 0 H ASN A 16 16.818 0.669 3.871 1.00 0.00 H new ATOM 0 HA ASN A 16 15.156 -0.441 4.867 1.00 0.00 H new ATOM 0 HB2 ASN A 16 15.451 -0.790 7.251 1.00 0.00 H new ATOM 0 HB3 ASN A 16 17.029 -0.663 6.498 1.00 0.00 H new ATOM 0 HD21 ASN A 16 18.064 1.789 8.763 1.00 0.00 H new ATOM 0 HD22 ASN A 16 18.426 0.361 7.787 1.00 0.00 H new ATOM 271 N GLU A 17 13.946 2.220 4.943 1.00 0.00 N ATOM 272 CA GLU A 17 12.788 3.082 5.124 1.00 0.00 C ATOM 273 C GLU A 17 11.869 2.952 3.920 1.00 0.00 C ATOM 274 O GLU A 17 12.336 2.824 2.796 1.00 0.00 O ATOM 275 CB GLU A 17 13.223 4.539 5.303 1.00 0.00 C ATOM 276 CG GLU A 17 14.235 5.005 4.270 1.00 0.00 C ATOM 277 CD GLU A 17 14.846 6.349 4.617 1.00 0.00 C ATOM 278 OE1 GLU A 17 14.909 6.679 5.819 1.00 0.00 O ATOM 279 OE2 GLU A 17 15.261 7.070 3.686 1.00 0.00 O ATOM 0 H GLU A 17 14.500 2.431 4.113 1.00 0.00 H new ATOM 0 HA GLU A 17 12.253 2.774 6.023 1.00 0.00 H new ATOM 0 HB2 GLU A 17 12.343 5.181 5.252 1.00 0.00 H new ATOM 0 HB3 GLU A 17 13.650 4.662 6.298 1.00 0.00 H new ATOM 0 HG2 GLU A 17 15.027 4.262 4.182 1.00 0.00 H new ATOM 0 HG3 GLU A 17 13.750 5.071 3.296 1.00 0.00 H new ATOM 286 N ILE A 18 10.567 2.963 4.153 1.00 0.00 N ATOM 287 CA ILE A 18 9.611 2.821 3.064 1.00 0.00 C ATOM 288 C ILE A 18 8.842 4.116 2.815 1.00 0.00 C ATOM 289 O ILE A 18 8.459 4.819 3.750 1.00 0.00 O ATOM 290 CB ILE A 18 8.630 1.665 3.348 1.00 0.00 C ATOM 291 CG1 ILE A 18 9.342 0.321 3.193 1.00 0.00 C ATOM 292 CG2 ILE A 18 7.410 1.730 2.436 1.00 0.00 C ATOM 293 CD1 ILE A 18 8.781 -0.768 4.081 1.00 0.00 C ATOM 0 H ILE A 18 10.149 3.068 5.077 1.00 0.00 H new ATOM 0 HA ILE A 18 10.178 2.591 2.162 1.00 0.00 H new ATOM 0 HB ILE A 18 8.280 1.766 4.375 1.00 0.00 H new ATOM 0 HG12 ILE A 18 9.274 0.001 2.153 1.00 0.00 H new ATOM 0 HG13 ILE A 18 10.401 0.452 3.418 1.00 0.00 H new ATOM 0 HG21 ILE A 18 6.741 0.901 2.664 1.00 0.00 H new ATOM 0 HG22 ILE A 18 6.887 2.673 2.595 1.00 0.00 H new ATOM 0 HG23 ILE A 18 7.729 1.663 1.396 1.00 0.00 H new ATOM 0 HD11 ILE A 18 9.335 -1.692 3.917 1.00 0.00 H new ATOM 0 HD12 ILE A 18 8.874 -0.470 5.125 1.00 0.00 H new ATOM 0 HD13 ILE A 18 7.730 -0.928 3.841 1.00 0.00 H new ATOM 305 N PHE A 19 8.623 4.415 1.540 1.00 0.00 N ATOM 306 CA PHE A 19 7.905 5.616 1.138 1.00 0.00 C ATOM 307 C PHE A 19 6.403 5.342 1.045 1.00 0.00 C ATOM 308 O PHE A 19 5.965 4.462 0.304 1.00 0.00 O ATOM 309 CB PHE A 19 8.463 6.122 -0.204 1.00 0.00 C ATOM 310 CG PHE A 19 7.431 6.634 -1.173 1.00 0.00 C ATOM 311 CD1 PHE A 19 6.681 5.753 -1.938 1.00 0.00 C ATOM 312 CD2 PHE A 19 7.220 7.994 -1.326 1.00 0.00 C ATOM 313 CE1 PHE A 19 5.738 6.220 -2.834 1.00 0.00 C ATOM 314 CE2 PHE A 19 6.280 8.467 -2.222 1.00 0.00 C ATOM 315 CZ PHE A 19 5.538 7.579 -2.976 1.00 0.00 C ATOM 0 H PHE A 19 8.936 3.835 0.761 1.00 0.00 H new ATOM 0 HA PHE A 19 8.050 6.391 1.891 1.00 0.00 H new ATOM 0 HB2 PHE A 19 9.179 6.920 -0.004 1.00 0.00 H new ATOM 0 HB3 PHE A 19 9.014 5.311 -0.679 1.00 0.00 H new ATOM 0 HD1 PHE A 19 6.836 4.689 -1.832 1.00 0.00 H new ATOM 0 HD2 PHE A 19 7.797 8.693 -0.738 1.00 0.00 H new ATOM 0 HE1 PHE A 19 5.159 5.523 -3.422 1.00 0.00 H new ATOM 0 HE2 PHE A 19 6.126 9.530 -2.332 1.00 0.00 H new ATOM 0 HZ PHE A 19 4.802 7.947 -3.676 1.00 0.00 H new ATOM 325 N ILE A 20 5.621 6.107 1.800 1.00 0.00 N ATOM 326 CA ILE A 20 4.169 5.957 1.798 1.00 0.00 C ATOM 327 C ILE A 20 3.505 7.255 1.355 1.00 0.00 C ATOM 328 O ILE A 20 4.124 8.318 1.377 1.00 0.00 O ATOM 329 CB ILE A 20 3.603 5.565 3.187 1.00 0.00 C ATOM 330 CG1 ILE A 20 4.724 5.380 4.219 1.00 0.00 C ATOM 331 CG2 ILE A 20 2.762 4.303 3.076 1.00 0.00 C ATOM 332 CD1 ILE A 20 5.479 4.076 4.075 1.00 0.00 C ATOM 0 H ILE A 20 5.968 6.838 2.421 1.00 0.00 H new ATOM 0 HA ILE A 20 3.946 5.150 1.100 1.00 0.00 H new ATOM 0 HB ILE A 20 2.969 6.381 3.534 1.00 0.00 H new ATOM 0 HG12 ILE A 20 5.427 6.208 4.130 1.00 0.00 H new ATOM 0 HG13 ILE A 20 4.296 5.432 5.220 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.371 4.039 4.058 1.00 0.00 H new ATOM 0 HG22 ILE A 20 1.933 4.477 2.390 1.00 0.00 H new ATOM 0 HG23 ILE A 20 3.379 3.487 2.700 1.00 0.00 H new ATOM 0 HD11 ILE A 20 6.254 4.018 4.839 1.00 0.00 H new ATOM 0 HD12 ILE A 20 4.789 3.241 4.195 1.00 0.00 H new ATOM 0 HD13 ILE A 20 5.938 4.029 3.088 1.00 0.00 H new ATOM 344 N THR A 21 2.242 7.165 0.959 1.00 0.00 N ATOM 345 CA THR A 21 1.500 8.338 0.519 1.00 0.00 C ATOM 346 C THR A 21 0.679 8.915 1.668 1.00 0.00 C ATOM 347 O THR A 21 -0.281 8.297 2.129 1.00 0.00 O ATOM 348 CB THR A 21 0.582 7.980 -0.652 1.00 0.00 C ATOM 349 OG1 THR A 21 -0.622 7.396 -0.187 1.00 0.00 O ATOM 350 CG2 THR A 21 1.210 7.015 -1.634 1.00 0.00 C ATOM 0 H THR A 21 1.712 6.294 0.934 1.00 0.00 H new ATOM 0 HA THR A 21 2.216 9.091 0.189 1.00 0.00 H new ATOM 0 HB THR A 21 0.391 8.922 -1.165 1.00 0.00 H new ATOM 0 HG1 THR A 21 -0.523 7.148 0.756 1.00 0.00 H new ATOM 0 HG21 THR A 21 0.505 6.804 -2.438 1.00 0.00 H new ATOM 0 HG22 THR A 21 2.115 7.457 -2.051 1.00 0.00 H new ATOM 0 HG23 THR A 21 1.463 6.087 -1.121 1.00 0.00 H new ATOM 358 N ARG A 22 1.061 10.102 2.130 1.00 0.00 N ATOM 359 CA ARG A 22 0.354 10.751 3.227 1.00 0.00 C ATOM 360 C ARG A 22 -0.746 11.667 2.702 1.00 0.00 C ATOM 361 O ARG A 22 -0.550 12.874 2.565 1.00 0.00 O ATOM 362 CB ARG A 22 1.329 11.547 4.099 1.00 0.00 C ATOM 363 CG ARG A 22 2.257 12.456 3.310 1.00 0.00 C ATOM 364 CD ARG A 22 3.068 13.353 4.232 1.00 0.00 C ATOM 365 NE ARG A 22 2.573 14.727 4.235 1.00 0.00 N ATOM 366 CZ ARG A 22 2.853 15.614 5.188 1.00 0.00 C ATOM 367 NH1 ARG A 22 3.623 15.275 6.214 1.00 0.00 N ATOM 368 NH2 ARG A 22 2.361 16.843 5.114 1.00 0.00 N ATOM 0 H ARG A 22 1.852 10.631 1.763 1.00 0.00 H new ATOM 0 HA ARG A 22 -0.107 9.973 3.835 1.00 0.00 H new ATOM 0 HB2 ARG A 22 0.760 12.150 4.806 1.00 0.00 H new ATOM 0 HB3 ARG A 22 1.929 10.851 4.685 1.00 0.00 H new ATOM 0 HG2 ARG A 22 2.931 11.852 2.702 1.00 0.00 H new ATOM 0 HG3 ARG A 22 1.672 13.069 2.624 1.00 0.00 H new ATOM 0 HD2 ARG A 22 3.036 12.954 5.246 1.00 0.00 H new ATOM 0 HD3 ARG A 22 4.112 13.345 3.919 1.00 0.00 H new ATOM 0 HE ARG A 22 1.978 15.025 3.462 1.00 0.00 H new ATOM 0 HH11 ARG A 22 4.004 14.331 6.276 1.00 0.00 H new ATOM 0 HH12 ARG A 22 3.834 15.959 6.941 1.00 0.00 H new ATOM 0 HH21 ARG A 22 1.768 17.109 4.327 1.00 0.00 H new ATOM 0 HH22 ARG A 22 2.575 17.523 5.844 1.00 0.00 H new ATOM 493 N ASN A 31 -5.334 11.971 8.386 1.00 0.00 N ATOM 494 CA ASN A 31 -5.002 10.750 9.111 1.00 0.00 C ATOM 495 C ASN A 31 -5.254 9.504 8.259 1.00 0.00 C ATOM 496 O ASN A 31 -5.563 8.436 8.788 1.00 0.00 O ATOM 497 CB ASN A 31 -5.825 10.679 10.401 1.00 0.00 C ATOM 498 CG ASN A 31 -4.993 10.944 11.642 1.00 0.00 C ATOM 499 OD1 ASN A 31 -5.215 10.338 12.691 1.00 0.00 O ATOM 500 ND2 ASN A 31 -4.034 11.857 11.533 1.00 0.00 N ATOM 0 HA ASN A 31 -3.940 10.777 9.353 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -6.636 11.406 10.350 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -6.284 9.694 10.480 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -3.448 12.079 12.337 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -3.884 12.336 10.645 1.00 0.00 H new ATOM 507 N LYS A 32 -5.119 9.641 6.942 1.00 0.00 N ATOM 508 CA LYS A 32 -5.333 8.521 6.030 1.00 0.00 C ATOM 509 C LYS A 32 -4.043 8.125 5.325 1.00 0.00 C ATOM 510 O LYS A 32 -4.065 7.574 4.225 1.00 0.00 O ATOM 511 CB LYS A 32 -6.415 8.855 5.005 1.00 0.00 C ATOM 512 CG LYS A 32 -7.742 8.164 5.277 1.00 0.00 C ATOM 513 CD LYS A 32 -8.778 9.136 5.818 1.00 0.00 C ATOM 514 CE LYS A 32 -9.713 9.620 4.722 1.00 0.00 C ATOM 515 NZ LYS A 32 -11.116 9.747 5.205 1.00 0.00 N ATOM 0 H LYS A 32 -4.863 10.515 6.483 1.00 0.00 H new ATOM 0 HA LYS A 32 -5.667 7.672 6.626 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -6.572 9.934 4.992 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -6.064 8.572 4.013 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -8.112 7.711 4.357 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -7.592 7.356 5.993 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -9.357 8.652 6.604 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -8.275 9.990 6.272 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -9.368 10.585 4.351 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -9.679 8.925 3.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -11.722 10.079 4.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -11.454 8.821 5.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -11.153 10.429 5.989 1.00 0.00 H new ATOM 529 N LEU A 33 -2.924 8.408 5.971 1.00 0.00 N ATOM 530 CA LEU A 33 -1.609 8.086 5.425 1.00 0.00 C ATOM 531 C LEU A 33 -1.576 6.653 4.895 1.00 0.00 C ATOM 532 O LEU A 33 -1.372 5.709 5.654 1.00 0.00 O ATOM 533 CB LEU A 33 -0.548 8.268 6.511 1.00 0.00 C ATOM 534 CG LEU A 33 0.882 8.473 6.010 1.00 0.00 C ATOM 535 CD1 LEU A 33 1.835 8.656 7.180 1.00 0.00 C ATOM 536 CD2 LEU A 33 1.319 7.302 5.144 1.00 0.00 C ATOM 0 H LEU A 33 -2.897 8.864 6.883 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.400 8.760 4.594 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.825 9.125 7.125 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -0.564 7.393 7.160 1.00 0.00 H new ATOM 0 HG LEU A 33 0.906 9.377 5.401 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.848 8.801 6.805 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.535 9.528 7.761 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.806 7.770 7.815 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.339 7.467 4.797 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.278 6.382 5.728 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.653 7.216 4.285 1.00 0.00 H new ATOM 548 N GLU A 34 -1.789 6.493 3.591 1.00 0.00 N ATOM 549 CA GLU A 34 -1.794 5.166 2.982 1.00 0.00 C ATOM 550 C GLU A 34 -0.638 4.990 2.004 1.00 0.00 C ATOM 551 O GLU A 34 0.184 5.887 1.822 1.00 0.00 O ATOM 552 CB GLU A 34 -3.123 4.913 2.267 1.00 0.00 C ATOM 553 CG GLU A 34 -4.295 4.715 3.214 1.00 0.00 C ATOM 554 CD GLU A 34 -5.627 5.051 2.571 1.00 0.00 C ATOM 555 OE1 GLU A 34 -5.687 6.043 1.814 1.00 0.00 O ATOM 556 OE2 GLU A 34 -6.608 4.321 2.823 1.00 0.00 O ATOM 0 H GLU A 34 -1.959 7.260 2.940 1.00 0.00 H new ATOM 0 HA GLU A 34 -1.670 4.438 3.784 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -3.337 5.754 1.608 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -3.024 4.030 1.635 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.311 3.680 3.555 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -4.154 5.339 4.096 1.00 0.00 H new ATOM 563 N PHE A 35 -0.584 3.815 1.384 1.00 0.00 N ATOM 564 CA PHE A 35 0.470 3.495 0.426 1.00 0.00 C ATOM 565 C PHE A 35 -0.107 3.188 -0.959 1.00 0.00 C ATOM 566 O PHE A 35 -1.301 2.925 -1.103 1.00 0.00 O ATOM 567 CB PHE A 35 1.310 2.300 0.914 1.00 0.00 C ATOM 568 CG PHE A 35 0.741 1.578 2.109 1.00 0.00 C ATOM 569 CD1 PHE A 35 -0.526 1.018 2.063 1.00 0.00 C ATOM 570 CD2 PHE A 35 1.478 1.460 3.278 1.00 0.00 C ATOM 571 CE1 PHE A 35 -1.047 0.356 3.159 1.00 0.00 C ATOM 572 CE2 PHE A 35 0.962 0.799 4.376 1.00 0.00 C ATOM 573 CZ PHE A 35 -0.302 0.246 4.317 1.00 0.00 C ATOM 0 H PHE A 35 -1.261 3.066 1.529 1.00 0.00 H new ATOM 0 HA PHE A 35 1.111 4.373 0.346 1.00 0.00 H new ATOM 0 HB2 PHE A 35 1.417 1.590 0.094 1.00 0.00 H new ATOM 0 HB3 PHE A 35 2.311 2.654 1.162 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -1.113 1.100 1.160 1.00 0.00 H new ATOM 0 HD2 PHE A 35 2.467 1.890 3.331 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -2.036 -0.075 3.110 1.00 0.00 H new ATOM 0 HE2 PHE A 35 1.547 0.715 5.280 1.00 0.00 H new ATOM 0 HZ PHE A 35 -0.707 -0.271 5.174 1.00 0.00 H new ATOM 583 N PRO A 36 0.753 3.200 -1.994 1.00 0.00 N ATOM 584 CA PRO A 36 0.359 2.904 -3.379 1.00 0.00 C ATOM 585 C PRO A 36 -0.292 1.531 -3.507 1.00 0.00 C ATOM 586 O PRO A 36 -0.243 0.727 -2.577 1.00 0.00 O ATOM 587 CB PRO A 36 1.677 2.949 -4.163 1.00 0.00 C ATOM 588 CG PRO A 36 2.747 2.833 -3.132 1.00 0.00 C ATOM 589 CD PRO A 36 2.196 3.481 -1.896 1.00 0.00 C ATOM 0 HA PRO A 36 -0.383 3.613 -3.747 1.00 0.00 H new ATOM 0 HB2 PRO A 36 1.735 2.134 -4.884 1.00 0.00 H new ATOM 0 HB3 PRO A 36 1.770 3.879 -4.725 1.00 0.00 H new ATOM 0 HG2 PRO A 36 3.000 1.789 -2.947 1.00 0.00 H new ATOM 0 HG3 PRO A 36 3.661 3.329 -3.459 1.00 0.00 H new ATOM 0 HD2 PRO A 36 2.630 3.058 -0.990 1.00 0.00 H new ATOM 0 HD3 PRO A 36 2.399 4.552 -1.876 1.00 0.00 H new ATOM 597 N GLY A 37 -0.907 1.264 -4.657 1.00 0.00 N ATOM 598 CA GLY A 37 -1.558 -0.018 -4.858 1.00 0.00 C ATOM 599 C GLY A 37 -3.063 0.037 -4.712 1.00 0.00 C ATOM 600 O GLY A 37 -3.657 -0.643 -3.876 1.00 0.00 O ATOM 0 H GLY A 37 -0.966 1.907 -5.447 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.311 -0.389 -5.853 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -1.158 -0.735 -4.142 1.00 0.00 H new ATOM 604 N GLY A 38 -3.663 0.854 -5.546 1.00 0.00 N ATOM 605 CA GLY A 38 -5.103 1.019 -5.551 1.00 0.00 C ATOM 606 C GLY A 38 -5.689 0.888 -6.948 1.00 0.00 C ATOM 607 O GLY A 38 -5.248 1.578 -7.869 1.00 0.00 O ATOM 0 H GLY A 38 -3.173 1.421 -6.237 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -5.555 0.273 -4.897 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -5.357 1.997 -5.142 1.00 0.00 H new ATOM 611 N LYS A 39 -6.688 0.003 -7.097 1.00 0.00 N ATOM 612 CA LYS A 39 -7.368 -0.235 -8.381 1.00 0.00 C ATOM 613 C LYS A 39 -7.022 -1.602 -8.971 1.00 0.00 C ATOM 614 O LYS A 39 -7.449 -1.923 -10.081 1.00 0.00 O ATOM 615 CB LYS A 39 -7.050 0.851 -9.411 1.00 0.00 C ATOM 616 CG LYS A 39 -7.913 0.761 -10.659 1.00 0.00 C ATOM 617 CD LYS A 39 -8.518 2.108 -11.034 1.00 0.00 C ATOM 618 CE LYS A 39 -9.288 2.734 -9.877 1.00 0.00 C ATOM 619 NZ LYS A 39 -10.089 1.729 -9.124 1.00 0.00 N ATOM 0 H LYS A 39 -7.047 -0.567 -6.331 1.00 0.00 H new ATOM 0 HA LYS A 39 -8.435 -0.208 -8.158 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -7.187 1.830 -8.952 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -6.001 0.777 -9.696 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -7.312 0.390 -11.489 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -8.712 0.038 -10.496 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -7.725 2.786 -11.350 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -9.186 1.980 -11.886 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -8.588 3.220 -9.198 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -9.950 3.510 -10.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -10.975 2.165 -8.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -10.308 0.924 -9.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -9.544 1.395 -8.303 1.00 0.00 H new ATOM 633 N ILE A 40 -6.261 -2.410 -8.239 1.00 0.00 N ATOM 634 CA ILE A 40 -5.892 -3.738 -8.728 1.00 0.00 C ATOM 635 C ILE A 40 -7.131 -4.572 -9.012 1.00 0.00 C ATOM 636 O ILE A 40 -7.105 -5.509 -9.810 1.00 0.00 O ATOM 637 CB ILE A 40 -4.970 -4.485 -7.741 1.00 0.00 C ATOM 638 CG1 ILE A 40 -5.774 -5.167 -6.622 1.00 0.00 C ATOM 639 CG2 ILE A 40 -3.949 -3.520 -7.162 1.00 0.00 C ATOM 640 CD1 ILE A 40 -5.324 -6.585 -6.336 1.00 0.00 C ATOM 0 H ILE A 40 -5.891 -2.175 -7.318 1.00 0.00 H new ATOM 0 HA ILE A 40 -5.338 -3.591 -9.655 1.00 0.00 H new ATOM 0 HB ILE A 40 -4.448 -5.271 -8.287 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -5.688 -4.576 -5.711 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -6.829 -5.177 -6.897 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -3.300 -4.051 -6.466 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -3.348 -3.099 -7.968 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -4.465 -2.717 -6.636 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -5.934 -7.006 -5.536 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -5.436 -7.191 -7.235 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -4.278 -6.580 -6.030 1.00 0.00 H new ATOM 652 N GLU A 41 -8.211 -4.214 -8.339 1.00 0.00 N ATOM 653 CA GLU A 41 -9.482 -4.904 -8.484 1.00 0.00 C ATOM 654 C GLU A 41 -9.859 -5.057 -9.954 1.00 0.00 C ATOM 655 O GLU A 41 -9.796 -6.157 -10.498 1.00 0.00 O ATOM 656 CB GLU A 41 -10.576 -4.152 -7.722 1.00 0.00 C ATOM 657 CG GLU A 41 -10.472 -2.633 -7.819 1.00 0.00 C ATOM 658 CD GLU A 41 -11.700 -2.000 -8.443 1.00 0.00 C ATOM 659 OE1 GLU A 41 -12.780 -2.054 -7.817 1.00 0.00 O ATOM 660 OE2 GLU A 41 -11.583 -1.450 -9.559 1.00 0.00 O ATOM 0 H GLU A 41 -8.232 -3.438 -7.677 1.00 0.00 H new ATOM 0 HA GLU A 41 -9.381 -5.904 -8.061 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -11.549 -4.464 -8.103 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -10.537 -4.442 -6.672 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -10.322 -2.219 -6.822 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -9.594 -2.370 -8.409 1.00 0.00 H new ATOM 667 N MET A 42 -10.236 -3.941 -10.584 1.00 0.00 N ATOM 668 CA MET A 42 -10.621 -3.915 -12.002 1.00 0.00 C ATOM 669 C MET A 42 -11.095 -5.285 -12.500 1.00 0.00 C ATOM 670 O MET A 42 -12.289 -5.580 -12.485 1.00 0.00 O ATOM 671 CB MET A 42 -9.448 -3.418 -12.855 1.00 0.00 C ATOM 672 CG MET A 42 -9.625 -1.996 -13.357 1.00 0.00 C ATOM 673 SD MET A 42 -8.059 -1.122 -13.536 1.00 0.00 S ATOM 674 CE MET A 42 -7.907 -1.061 -15.320 1.00 0.00 C ATOM 0 H MET A 42 -10.284 -3.030 -10.128 1.00 0.00 H new ATOM 0 HA MET A 42 -11.461 -3.228 -12.100 1.00 0.00 H new ATOM 0 HB2 MET A 42 -8.532 -3.476 -12.268 1.00 0.00 H new ATOM 0 HB3 MET A 42 -9.322 -4.084 -13.709 1.00 0.00 H new ATOM 0 HG2 MET A 42 -10.137 -2.016 -14.319 1.00 0.00 H new ATOM 0 HG3 MET A 42 -10.265 -1.448 -12.666 1.00 0.00 H new ATOM 0 HE1 MET A 42 -6.984 -0.548 -15.589 1.00 0.00 H new ATOM 0 HE2 MET A 42 -7.888 -2.075 -15.718 1.00 0.00 H new ATOM 0 HE3 MET A 42 -8.757 -0.522 -15.739 1.00 0.00 H new ATOM 684 N GLY A 43 -10.150 -6.113 -12.939 1.00 0.00 N ATOM 685 CA GLY A 43 -10.491 -7.434 -13.431 1.00 0.00 C ATOM 686 C GLY A 43 -9.314 -8.385 -13.421 1.00 0.00 C ATOM 687 O GLY A 43 -9.284 -9.357 -14.176 1.00 0.00 O ATOM 0 H GLY A 43 -9.155 -5.891 -12.962 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -11.293 -7.849 -12.820 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -10.876 -7.350 -14.447 1.00 0.00 H new ATOM 691 N GLU A 44 -8.342 -8.102 -12.569 1.00 0.00 N ATOM 692 CA GLU A 44 -7.150 -8.937 -12.465 1.00 0.00 C ATOM 693 C GLU A 44 -7.264 -9.910 -11.297 1.00 0.00 C ATOM 694 O GLU A 44 -8.286 -9.957 -10.611 1.00 0.00 O ATOM 695 CB GLU A 44 -5.905 -8.065 -12.297 1.00 0.00 C ATOM 696 CG GLU A 44 -5.266 -7.656 -13.614 1.00 0.00 C ATOM 697 CD GLU A 44 -5.624 -6.240 -14.020 1.00 0.00 C ATOM 698 OE1 GLU A 44 -5.317 -5.306 -13.250 1.00 0.00 O ATOM 699 OE2 GLU A 44 -6.211 -6.065 -15.109 1.00 0.00 O ATOM 0 H GLU A 44 -8.352 -7.301 -11.938 1.00 0.00 H new ATOM 0 HA GLU A 44 -7.061 -9.514 -13.386 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -6.173 -7.168 -11.739 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -5.171 -8.605 -11.699 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -4.183 -7.743 -13.531 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -5.582 -8.346 -14.397 1.00 0.00 H new ATOM 706 N THR A 45 -6.205 -10.683 -11.071 1.00 0.00 N ATOM 707 CA THR A 45 -6.182 -11.650 -9.983 1.00 0.00 C ATOM 708 C THR A 45 -5.199 -11.199 -8.910 1.00 0.00 C ATOM 709 O THR A 45 -4.283 -10.431 -9.190 1.00 0.00 O ATOM 710 CB THR A 45 -5.788 -13.034 -10.511 1.00 0.00 C ATOM 711 OG1 THR A 45 -5.664 -13.019 -11.923 1.00 0.00 O ATOM 712 CG2 THR A 45 -6.781 -14.119 -10.153 1.00 0.00 C ATOM 0 H THR A 45 -5.352 -10.657 -11.629 1.00 0.00 H new ATOM 0 HA THR A 45 -7.179 -11.714 -9.547 1.00 0.00 H new ATOM 0 HB THR A 45 -4.836 -13.261 -10.032 1.00 0.00 H new ATOM 0 HG1 THR A 45 -5.410 -13.911 -12.239 1.00 0.00 H new ATOM 0 HG21 THR A 45 -6.440 -15.072 -10.558 1.00 0.00 H new ATOM 0 HG22 THR A 45 -6.863 -14.194 -9.069 1.00 0.00 H new ATOM 0 HG23 THR A 45 -7.756 -13.874 -10.574 1.00 0.00 H new ATOM 720 N PRO A 46 -5.359 -11.673 -7.666 1.00 0.00 N ATOM 721 CA PRO A 46 -4.470 -11.312 -6.562 1.00 0.00 C ATOM 722 C PRO A 46 -2.996 -11.338 -6.968 1.00 0.00 C ATOM 723 O PRO A 46 -2.164 -10.666 -6.358 1.00 0.00 O ATOM 724 CB PRO A 46 -4.759 -12.383 -5.495 1.00 0.00 C ATOM 725 CG PRO A 46 -5.704 -13.354 -6.132 1.00 0.00 C ATOM 726 CD PRO A 46 -6.403 -12.598 -7.221 1.00 0.00 C ATOM 0 HA PRO A 46 -4.649 -10.294 -6.215 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -3.841 -12.880 -5.182 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -5.200 -11.937 -4.603 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -5.167 -14.213 -6.536 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -6.418 -13.738 -5.404 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -6.736 -13.255 -8.025 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -7.284 -12.073 -6.853 1.00 0.00 H new ATOM 734 N GLU A 47 -2.677 -12.123 -7.994 1.00 0.00 N ATOM 735 CA GLU A 47 -1.304 -12.242 -8.470 1.00 0.00 C ATOM 736 C GLU A 47 -0.941 -11.142 -9.473 1.00 0.00 C ATOM 737 O GLU A 47 -0.014 -10.368 -9.240 1.00 0.00 O ATOM 738 CB GLU A 47 -1.087 -13.617 -9.106 1.00 0.00 C ATOM 739 CG GLU A 47 -0.265 -14.562 -8.245 1.00 0.00 C ATOM 740 CD GLU A 47 1.219 -14.482 -8.547 1.00 0.00 C ATOM 741 OE1 GLU A 47 1.793 -13.381 -8.415 1.00 0.00 O ATOM 742 OE2 GLU A 47 1.807 -15.521 -8.914 1.00 0.00 O ATOM 0 H GLU A 47 -3.352 -12.686 -8.511 1.00 0.00 H new ATOM 0 HA GLU A 47 -0.650 -12.127 -7.606 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -2.057 -14.072 -9.307 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -0.590 -13.489 -10.067 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -0.431 -14.328 -7.194 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -0.610 -15.584 -8.402 1.00 0.00 H new ATOM 749 N GLN A 48 -1.656 -11.089 -10.598 1.00 0.00 N ATOM 750 CA GLN A 48 -1.373 -10.095 -11.634 1.00 0.00 C ATOM 751 C GLN A 48 -1.976 -8.731 -11.304 1.00 0.00 C ATOM 752 O GLN A 48 -1.535 -7.709 -11.829 1.00 0.00 O ATOM 753 CB GLN A 48 -1.892 -10.580 -12.989 1.00 0.00 C ATOM 754 CG GLN A 48 -3.406 -10.686 -13.061 1.00 0.00 C ATOM 755 CD GLN A 48 -3.897 -11.085 -14.439 1.00 0.00 C ATOM 756 OE1 GLN A 48 -3.106 -11.266 -15.365 1.00 0.00 O ATOM 757 NE2 GLN A 48 -5.210 -11.224 -14.582 1.00 0.00 N ATOM 0 H GLN A 48 -2.430 -11.718 -10.814 1.00 0.00 H new ATOM 0 HA GLN A 48 -0.291 -9.974 -11.679 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -1.547 -9.897 -13.766 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -1.458 -11.556 -13.206 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -3.751 -11.418 -12.330 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -3.847 -9.728 -12.785 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -5.829 -11.064 -13.787 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -5.599 -11.491 -15.486 1.00 0.00 H new ATOM 766 N ALA A 49 -2.984 -8.717 -10.442 1.00 0.00 N ATOM 767 CA ALA A 49 -3.640 -7.473 -10.058 1.00 0.00 C ATOM 768 C ALA A 49 -2.638 -6.479 -9.485 1.00 0.00 C ATOM 769 O ALA A 49 -2.606 -5.315 -9.885 1.00 0.00 O ATOM 770 CB ALA A 49 -4.750 -7.748 -9.054 1.00 0.00 C ATOM 0 H ALA A 49 -3.365 -9.551 -9.996 1.00 0.00 H new ATOM 0 HA ALA A 49 -4.078 -7.031 -10.953 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -5.230 -6.810 -8.777 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -5.487 -8.415 -9.500 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -4.328 -8.216 -8.165 1.00 0.00 H new ATOM 776 N VAL A 50 -1.818 -6.945 -8.550 1.00 0.00 N ATOM 777 CA VAL A 50 -0.813 -6.089 -7.929 1.00 0.00 C ATOM 778 C VAL A 50 0.394 -5.913 -8.847 1.00 0.00 C ATOM 779 O VAL A 50 0.885 -4.802 -9.036 1.00 0.00 O ATOM 780 CB VAL A 50 -0.345 -6.633 -6.550 1.00 0.00 C ATOM 781 CG1 VAL A 50 -1.418 -7.502 -5.911 1.00 0.00 C ATOM 782 CG2 VAL A 50 0.966 -7.403 -6.670 1.00 0.00 C ATOM 0 H VAL A 50 -1.828 -7.905 -8.206 1.00 0.00 H new ATOM 0 HA VAL A 50 -1.287 -5.122 -7.764 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.171 -5.773 -5.903 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -1.063 -7.869 -4.948 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -2.323 -6.913 -5.764 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -1.637 -8.348 -6.563 1.00 0.00 H new ATOM 0 HG21 VAL A 50 1.264 -7.769 -5.688 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.832 -8.247 -7.346 1.00 0.00 H new ATOM 0 HG23 VAL A 50 1.741 -6.744 -7.062 1.00 0.00 H new ATOM 792 N VAL A 51 0.869 -7.023 -9.407 1.00 0.00 N ATOM 793 CA VAL A 51 2.022 -6.998 -10.296 1.00 0.00 C ATOM 794 C VAL A 51 1.781 -6.063 -11.471 1.00 0.00 C ATOM 795 O VAL A 51 2.695 -5.378 -11.930 1.00 0.00 O ATOM 796 CB VAL A 51 2.356 -8.408 -10.826 1.00 0.00 C ATOM 797 CG1 VAL A 51 3.617 -8.381 -11.677 1.00 0.00 C ATOM 798 CG2 VAL A 51 2.507 -9.389 -9.672 1.00 0.00 C ATOM 0 H VAL A 51 0.471 -7.950 -9.259 1.00 0.00 H new ATOM 0 HA VAL A 51 2.868 -6.633 -9.713 1.00 0.00 H new ATOM 0 HB VAL A 51 1.531 -8.741 -11.455 1.00 0.00 H new ATOM 0 HG11 VAL A 51 3.833 -9.386 -12.040 1.00 0.00 H new ATOM 0 HG12 VAL A 51 3.469 -7.713 -12.526 1.00 0.00 H new ATOM 0 HG13 VAL A 51 4.454 -8.025 -11.076 1.00 0.00 H new ATOM 0 HG21 VAL A 51 2.742 -10.378 -10.064 1.00 0.00 H new ATOM 0 HG22 VAL A 51 3.312 -9.058 -9.016 1.00 0.00 H new ATOM 0 HG23 VAL A 51 1.575 -9.434 -9.109 1.00 0.00 H new ATOM 808 N ARG A 52 0.545 -6.035 -11.951 1.00 0.00 N ATOM 809 CA ARG A 52 0.189 -5.178 -13.069 1.00 0.00 C ATOM 810 C ARG A 52 0.007 -3.737 -12.608 1.00 0.00 C ATOM 811 O ARG A 52 0.559 -2.810 -13.202 1.00 0.00 O ATOM 812 CB ARG A 52 -1.087 -5.679 -13.747 1.00 0.00 C ATOM 813 CG ARG A 52 -0.903 -6.990 -14.497 1.00 0.00 C ATOM 814 CD ARG A 52 -1.215 -6.837 -15.977 1.00 0.00 C ATOM 815 NE ARG A 52 -1.649 -8.096 -16.579 1.00 0.00 N ATOM 816 CZ ARG A 52 -2.302 -8.178 -17.736 1.00 0.00 C ATOM 817 NH1 ARG A 52 -2.598 -7.079 -18.419 1.00 0.00 N ATOM 818 NH2 ARG A 52 -2.659 -9.363 -18.213 1.00 0.00 N ATOM 0 H ARG A 52 -0.224 -6.595 -11.584 1.00 0.00 H new ATOM 0 HA ARG A 52 1.004 -5.210 -13.792 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -1.863 -5.807 -12.993 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -1.442 -4.919 -14.443 1.00 0.00 H new ATOM 0 HG2 ARG A 52 0.122 -7.339 -14.375 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -1.552 -7.751 -14.065 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -1.994 -6.086 -16.107 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -0.330 -6.472 -16.498 1.00 0.00 H new ATOM 0 HE ARG A 52 -1.439 -8.963 -16.084 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -2.325 -6.165 -18.058 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -3.099 -7.148 -19.305 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -2.433 -10.211 -17.693 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -3.159 -9.426 -19.100 1.00 0.00 H new ATOM 832 N GLU A 53 -0.768 -3.555 -11.545 1.00 0.00 N ATOM 833 CA GLU A 53 -1.019 -2.226 -11.004 1.00 0.00 C ATOM 834 C GLU A 53 0.250 -1.633 -10.401 1.00 0.00 C ATOM 835 O GLU A 53 0.353 -0.420 -10.230 1.00 0.00 O ATOM 836 CB GLU A 53 -2.121 -2.277 -9.945 1.00 0.00 C ATOM 837 CG GLU A 53 -3.529 -2.206 -10.516 1.00 0.00 C ATOM 838 CD GLU A 53 -3.735 -1.025 -11.445 1.00 0.00 C ATOM 839 OE1 GLU A 53 -3.306 -1.106 -12.615 1.00 0.00 O ATOM 840 OE2 GLU A 53 -4.334 -0.022 -11.003 1.00 0.00 O ATOM 0 H GLU A 53 -1.233 -4.311 -11.042 1.00 0.00 H new ATOM 0 HA GLU A 53 -1.344 -1.588 -11.825 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -2.018 -3.198 -9.372 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.980 -1.451 -9.248 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.742 -3.128 -11.057 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -4.245 -2.145 -9.696 1.00 0.00 H new ATOM 847 N LEU A 54 1.218 -2.490 -10.079 1.00 0.00 N ATOM 848 CA LEU A 54 2.474 -2.031 -9.497 1.00 0.00 C ATOM 849 C LEU A 54 3.147 -1.020 -10.411 1.00 0.00 C ATOM 850 O LEU A 54 3.612 0.026 -9.961 1.00 0.00 O ATOM 851 CB LEU A 54 3.410 -3.211 -9.247 1.00 0.00 C ATOM 852 CG LEU A 54 3.891 -3.359 -7.806 1.00 0.00 C ATOM 853 CD1 LEU A 54 2.717 -3.307 -6.839 1.00 0.00 C ATOM 854 CD2 LEU A 54 4.665 -4.655 -7.647 1.00 0.00 C ATOM 0 H LEU A 54 1.156 -3.499 -10.211 1.00 0.00 H new ATOM 0 HA LEU A 54 2.252 -1.550 -8.544 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.900 -4.129 -9.540 1.00 0.00 H new ATOM 0 HB3 LEU A 54 4.280 -3.109 -9.896 1.00 0.00 H new ATOM 0 HG LEU A 54 4.555 -2.527 -7.571 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.082 -3.414 -5.818 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.203 -2.351 -6.942 1.00 0.00 H new ATOM 0 HD13 LEU A 54 2.024 -4.118 -7.064 1.00 0.00 H new ATOM 0 HD21 LEU A 54 5.004 -4.752 -6.616 1.00 0.00 H new ATOM 0 HD22 LEU A 54 4.020 -5.497 -7.898 1.00 0.00 H new ATOM 0 HD23 LEU A 54 5.527 -4.648 -8.313 1.00 0.00 H new ATOM 866 N GLN A 55 3.173 -1.326 -11.701 1.00 0.00 N ATOM 867 CA GLN A 55 3.763 -0.426 -12.678 1.00 0.00 C ATOM 868 C GLN A 55 2.964 0.869 -12.708 1.00 0.00 C ATOM 869 O GLN A 55 3.514 1.955 -12.891 1.00 0.00 O ATOM 870 CB GLN A 55 3.779 -1.078 -14.063 1.00 0.00 C ATOM 871 CG GLN A 55 5.179 -1.354 -14.589 1.00 0.00 C ATOM 872 CD GLN A 55 5.284 -2.693 -15.291 1.00 0.00 C ATOM 873 OE1 GLN A 55 5.823 -3.654 -14.742 1.00 0.00 O ATOM 874 NE2 GLN A 55 4.768 -2.763 -16.513 1.00 0.00 N ATOM 0 H GLN A 55 2.793 -2.188 -12.093 1.00 0.00 H new ATOM 0 HA GLN A 55 4.793 -0.209 -12.396 1.00 0.00 H new ATOM 0 HB2 GLN A 55 3.224 -2.015 -14.021 1.00 0.00 H new ATOM 0 HB3 GLN A 55 3.257 -0.430 -14.767 1.00 0.00 H new ATOM 0 HG2 GLN A 55 5.466 -0.562 -15.280 1.00 0.00 H new ATOM 0 HG3 GLN A 55 5.887 -1.326 -13.760 1.00 0.00 H new ATOM 0 HE21 GLN A 55 4.330 -1.941 -16.930 1.00 0.00 H new ATOM 0 HE22 GLN A 55 4.809 -3.639 -17.035 1.00 0.00 H new ATOM 883 N GLU A 56 1.657 0.733 -12.508 1.00 0.00 N ATOM 884 CA GLU A 56 0.756 1.874 -12.489 1.00 0.00 C ATOM 885 C GLU A 56 0.854 2.621 -11.165 1.00 0.00 C ATOM 886 O GLU A 56 0.522 3.800 -11.090 1.00 0.00 O ATOM 887 CB GLU A 56 -0.685 1.414 -12.707 1.00 0.00 C ATOM 888 CG GLU A 56 -1.518 2.381 -13.533 1.00 0.00 C ATOM 889 CD GLU A 56 -2.542 3.130 -12.700 1.00 0.00 C ATOM 890 OE1 GLU A 56 -3.009 2.569 -11.685 1.00 0.00 O ATOM 891 OE2 GLU A 56 -2.876 4.277 -13.063 1.00 0.00 O ATOM 0 H GLU A 56 1.198 -0.165 -12.356 1.00 0.00 H new ATOM 0 HA GLU A 56 1.049 2.547 -13.295 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -0.676 0.443 -13.201 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -1.163 1.274 -11.737 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -0.858 3.098 -14.021 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -2.030 1.831 -14.322 1.00 0.00 H new ATOM 898 N GLU A 57 1.289 1.924 -10.114 1.00 0.00 N ATOM 899 CA GLU A 57 1.401 2.539 -8.797 1.00 0.00 C ATOM 900 C GLU A 57 2.858 2.759 -8.392 1.00 0.00 C ATOM 901 O GLU A 57 3.139 3.197 -7.276 1.00 0.00 O ATOM 902 CB GLU A 57 0.689 1.676 -7.755 1.00 0.00 C ATOM 903 CG GLU A 57 -0.824 1.836 -7.765 1.00 0.00 C ATOM 904 CD GLU A 57 -1.408 1.833 -9.164 1.00 0.00 C ATOM 905 OE1 GLU A 57 -1.488 2.919 -9.775 1.00 0.00 O ATOM 906 OE2 GLU A 57 -1.786 0.746 -9.647 1.00 0.00 O ATOM 0 H GLU A 57 1.566 0.943 -10.151 1.00 0.00 H new ATOM 0 HA GLU A 57 0.924 3.518 -8.847 1.00 0.00 H new ATOM 0 HB2 GLU A 57 0.937 0.629 -7.931 1.00 0.00 H new ATOM 0 HB3 GLU A 57 1.067 1.931 -6.765 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -1.274 1.028 -7.187 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -1.089 2.769 -7.268 1.00 0.00 H new ATOM 913 N VAL A 58 3.780 2.472 -9.305 1.00 0.00 N ATOM 914 CA VAL A 58 5.200 2.660 -9.044 1.00 0.00 C ATOM 915 C VAL A 58 5.856 3.340 -10.231 1.00 0.00 C ATOM 916 O VAL A 58 6.641 4.276 -10.075 1.00 0.00 O ATOM 917 CB VAL A 58 5.914 1.320 -8.769 1.00 0.00 C ATOM 918 CG1 VAL A 58 7.362 1.556 -8.370 1.00 0.00 C ATOM 919 CG2 VAL A 58 5.190 0.533 -7.690 1.00 0.00 C ATOM 0 H VAL A 58 3.567 2.108 -10.234 1.00 0.00 H new ATOM 0 HA VAL A 58 5.291 3.284 -8.155 1.00 0.00 H new ATOM 0 HB VAL A 58 5.899 0.735 -9.689 1.00 0.00 H new ATOM 0 HG11 VAL A 58 7.848 0.599 -8.180 1.00 0.00 H new ATOM 0 HG12 VAL A 58 7.882 2.073 -9.176 1.00 0.00 H new ATOM 0 HG13 VAL A 58 7.396 2.165 -7.467 1.00 0.00 H new ATOM 0 HG21 VAL A 58 5.712 -0.408 -7.514 1.00 0.00 H new ATOM 0 HG22 VAL A 58 5.168 1.114 -6.768 1.00 0.00 H new ATOM 0 HG23 VAL A 58 4.170 0.327 -8.013 1.00 0.00 H new ATOM 929 N GLY A 59 5.509 2.866 -11.425 1.00 0.00 N ATOM 930 CA GLY A 59 6.042 3.429 -12.648 1.00 0.00 C ATOM 931 C GLY A 59 7.522 3.179 -12.844 1.00 0.00 C ATOM 932 O GLY A 59 7.974 2.907 -13.956 1.00 0.00 O ATOM 0 H GLY A 59 4.860 2.092 -11.565 1.00 0.00 H new ATOM 0 HA2 GLY A 59 5.498 3.012 -13.496 1.00 0.00 H new ATOM 0 HA3 GLY A 59 5.862 4.504 -12.650 1.00 0.00 H new ATOM 936 N ILE A 60 8.271 3.281 -11.768 1.00 0.00 N ATOM 937 CA ILE A 60 9.708 3.076 -11.809 1.00 0.00 C ATOM 938 C ILE A 60 10.048 1.595 -11.865 1.00 0.00 C ATOM 939 O ILE A 60 9.162 0.743 -11.932 1.00 0.00 O ATOM 940 CB ILE A 60 10.435 3.699 -10.592 1.00 0.00 C ATOM 941 CG1 ILE A 60 9.506 3.903 -9.395 1.00 0.00 C ATOM 942 CG2 ILE A 60 11.096 5.013 -10.979 1.00 0.00 C ATOM 943 CD1 ILE A 60 10.223 3.796 -8.065 1.00 0.00 C ATOM 0 H ILE A 60 7.906 3.507 -10.843 1.00 0.00 H new ATOM 0 HA ILE A 60 10.053 3.577 -12.714 1.00 0.00 H new ATOM 0 HB ILE A 60 11.202 2.988 -10.285 1.00 0.00 H new ATOM 0 HG12 ILE A 60 9.035 4.883 -9.470 1.00 0.00 H new ATOM 0 HG13 ILE A 60 8.707 3.162 -9.432 1.00 0.00 H new ATOM 0 HG21 ILE A 60 11.602 5.435 -10.111 1.00 0.00 H new ATOM 0 HG22 ILE A 60 11.823 4.835 -11.771 1.00 0.00 H new ATOM 0 HG23 ILE A 60 10.338 5.711 -11.333 1.00 0.00 H new ATOM 0 HD11 ILE A 60 9.511 3.950 -7.254 1.00 0.00 H new ATOM 0 HD12 ILE A 60 10.671 2.807 -7.972 1.00 0.00 H new ATOM 0 HD13 ILE A 60 11.004 4.554 -8.011 1.00 0.00 H new ATOM 955 N THR A 61 11.342 1.301 -11.839 1.00 0.00 N ATOM 956 CA THR A 61 11.824 -0.059 -11.884 1.00 0.00 C ATOM 957 C THR A 61 12.493 -0.419 -10.563 1.00 0.00 C ATOM 958 O THR A 61 13.693 -0.205 -10.391 1.00 0.00 O ATOM 959 CB THR A 61 12.830 -0.173 -13.014 1.00 0.00 C ATOM 960 OG1 THR A 61 13.480 1.068 -13.229 1.00 0.00 O ATOM 961 CG2 THR A 61 12.210 -0.596 -14.326 1.00 0.00 C ATOM 0 H THR A 61 12.080 2.003 -11.786 1.00 0.00 H new ATOM 0 HA THR A 61 10.991 -0.743 -12.050 1.00 0.00 H new ATOM 0 HB THR A 61 13.535 -0.942 -12.699 1.00 0.00 H new ATOM 0 HG1 THR A 61 14.127 0.976 -13.960 1.00 0.00 H new ATOM 0 HG21 THR A 61 12.984 -0.658 -15.091 1.00 0.00 H new ATOM 0 HG22 THR A 61 11.738 -1.571 -14.208 1.00 0.00 H new ATOM 0 HG23 THR A 61 11.460 0.136 -14.627 1.00 0.00 H new ATOM 969 N PRO A 62 11.722 -0.926 -9.592 1.00 0.00 N ATOM 970 CA PRO A 62 12.218 -1.261 -8.277 1.00 0.00 C ATOM 971 C PRO A 62 12.258 -2.752 -7.994 1.00 0.00 C ATOM 972 O PRO A 62 11.358 -3.487 -8.400 1.00 0.00 O ATOM 973 CB PRO A 62 11.112 -0.636 -7.444 1.00 0.00 C ATOM 974 CG PRO A 62 9.864 -1.000 -8.190 1.00 0.00 C ATOM 975 CD PRO A 62 10.270 -1.159 -9.641 1.00 0.00 C ATOM 0 HA PRO A 62 13.242 -0.929 -8.105 1.00 0.00 H new ATOM 0 HB2 PRO A 62 11.102 -1.031 -6.428 1.00 0.00 H new ATOM 0 HB3 PRO A 62 11.231 0.445 -7.364 1.00 0.00 H new ATOM 0 HG2 PRO A 62 9.434 -1.924 -7.803 1.00 0.00 H new ATOM 0 HG3 PRO A 62 9.105 -0.225 -8.081 1.00 0.00 H new ATOM 0 HD2 PRO A 62 10.031 -2.151 -10.023 1.00 0.00 H new ATOM 0 HD3 PRO A 62 9.765 -0.439 -10.285 1.00 0.00 H new ATOM 983 N GLN A 63 13.253 -3.193 -7.229 1.00 0.00 N ATOM 984 CA GLN A 63 13.301 -4.589 -6.844 1.00 0.00 C ATOM 985 C GLN A 63 12.235 -4.753 -5.780 1.00 0.00 C ATOM 986 O GLN A 63 12.506 -4.711 -4.580 1.00 0.00 O ATOM 987 CB GLN A 63 14.679 -4.971 -6.305 1.00 0.00 C ATOM 988 CG GLN A 63 15.823 -4.445 -7.153 1.00 0.00 C ATOM 989 CD GLN A 63 17.177 -4.658 -6.504 1.00 0.00 C ATOM 990 OE1 GLN A 63 17.269 -5.154 -5.381 1.00 0.00 O ATOM 991 NE2 GLN A 63 18.237 -4.281 -7.209 1.00 0.00 N ATOM 0 H GLN A 63 14.016 -2.617 -6.874 1.00 0.00 H new ATOM 0 HA GLN A 63 13.123 -5.243 -7.697 1.00 0.00 H new ATOM 0 HB2 GLN A 63 14.783 -4.589 -5.290 1.00 0.00 H new ATOM 0 HB3 GLN A 63 14.750 -6.057 -6.245 1.00 0.00 H new ATOM 0 HG2 GLN A 63 15.808 -4.940 -8.124 1.00 0.00 H new ATOM 0 HG3 GLN A 63 15.675 -3.381 -7.336 1.00 0.00 H new ATOM 0 HE21 GLN A 63 18.114 -3.874 -8.136 1.00 0.00 H new ATOM 0 HE22 GLN A 63 19.174 -4.398 -6.823 1.00 0.00 H new ATOM 1000 N HIS A 64 11.007 -4.863 -6.255 1.00 0.00 N ATOM 1001 CA HIS A 64 9.839 -4.948 -5.397 1.00 0.00 C ATOM 1002 C HIS A 64 9.076 -6.239 -5.644 1.00 0.00 C ATOM 1003 O HIS A 64 8.751 -6.570 -6.784 1.00 0.00 O ATOM 1004 CB HIS A 64 8.966 -3.722 -5.694 1.00 0.00 C ATOM 1005 CG HIS A 64 7.520 -3.844 -5.303 1.00 0.00 C ATOM 1006 ND1 HIS A 64 7.053 -4.746 -4.369 1.00 0.00 N ATOM 1007 CD2 HIS A 64 6.432 -3.166 -5.740 1.00 0.00 C ATOM 1008 CE1 HIS A 64 5.743 -4.619 -4.254 1.00 0.00 C ATOM 1009 NE2 HIS A 64 5.342 -3.666 -5.073 1.00 0.00 N ATOM 0 H HIS A 64 10.791 -4.896 -7.251 1.00 0.00 H new ATOM 0 HA HIS A 64 10.134 -4.957 -4.348 1.00 0.00 H new ATOM 0 HB2 HIS A 64 9.392 -2.862 -5.178 1.00 0.00 H new ATOM 0 HB3 HIS A 64 9.018 -3.511 -6.762 1.00 0.00 H new ATOM 0 HD1 HIS A 64 7.629 -5.408 -3.849 1.00 0.00 H new ATOM 0 HD2 HIS A 64 6.424 -2.377 -6.478 1.00 0.00 H new ATOM 0 HE1 HIS A 64 5.108 -5.198 -3.600 1.00 0.00 H new ATOM 1018 N PHE A 65 8.800 -6.974 -4.570 1.00 0.00 N ATOM 1019 CA PHE A 65 8.087 -8.234 -4.689 1.00 0.00 C ATOM 1020 C PHE A 65 7.870 -8.892 -3.329 1.00 0.00 C ATOM 1021 O PHE A 65 8.469 -8.493 -2.333 1.00 0.00 O ATOM 1022 CB PHE A 65 8.892 -9.168 -5.569 1.00 0.00 C ATOM 1023 CG PHE A 65 8.062 -10.184 -6.299 1.00 0.00 C ATOM 1024 CD1 PHE A 65 7.066 -9.779 -7.173 1.00 0.00 C ATOM 1025 CD2 PHE A 65 8.277 -11.541 -6.116 1.00 0.00 C ATOM 1026 CE1 PHE A 65 6.299 -10.707 -7.851 1.00 0.00 C ATOM 1027 CE2 PHE A 65 7.512 -12.474 -6.791 1.00 0.00 C ATOM 1028 CZ PHE A 65 6.522 -12.056 -7.660 1.00 0.00 C ATOM 0 H PHE A 65 9.058 -6.718 -3.617 1.00 0.00 H new ATOM 0 HA PHE A 65 7.108 -8.034 -5.125 1.00 0.00 H new ATOM 0 HB2 PHE A 65 9.447 -8.577 -6.297 1.00 0.00 H new ATOM 0 HB3 PHE A 65 9.626 -9.688 -4.954 1.00 0.00 H new ATOM 0 HD1 PHE A 65 6.887 -8.725 -7.326 1.00 0.00 H new ATOM 0 HD2 PHE A 65 9.050 -11.873 -5.439 1.00 0.00 H new ATOM 0 HE1 PHE A 65 5.526 -10.377 -8.529 1.00 0.00 H new ATOM 0 HE2 PHE A 65 7.688 -13.529 -6.639 1.00 0.00 H new ATOM 0 HZ PHE A 65 5.924 -12.783 -8.189 1.00 0.00 H new ATOM 1038 N SER A 66 7.013 -9.916 -3.311 1.00 0.00 N ATOM 1039 CA SER A 66 6.693 -10.667 -2.094 1.00 0.00 C ATOM 1040 C SER A 66 5.596 -9.965 -1.306 1.00 0.00 C ATOM 1041 O SER A 66 5.479 -8.742 -1.346 1.00 0.00 O ATOM 1042 CB SER A 66 7.931 -10.865 -1.210 1.00 0.00 C ATOM 1043 OG SER A 66 9.019 -11.389 -1.954 1.00 0.00 O ATOM 0 H SER A 66 6.521 -10.248 -4.140 1.00 0.00 H new ATOM 0 HA SER A 66 6.338 -11.651 -2.401 1.00 0.00 H new ATOM 0 HB2 SER A 66 8.218 -9.913 -0.764 1.00 0.00 H new ATOM 0 HB3 SER A 66 7.690 -11.541 -0.390 1.00 0.00 H new ATOM 0 HG SER A 66 9.794 -11.503 -1.365 1.00 0.00 H new ATOM 1049 N LEU A 67 4.786 -10.747 -0.599 1.00 0.00 N ATOM 1050 CA LEU A 67 3.693 -10.190 0.188 1.00 0.00 C ATOM 1051 C LEU A 67 3.998 -10.252 1.682 1.00 0.00 C ATOM 1052 O LEU A 67 4.346 -11.307 2.213 1.00 0.00 O ATOM 1053 CB LEU A 67 2.383 -10.925 -0.119 1.00 0.00 C ATOM 1054 CG LEU A 67 2.180 -12.250 0.621 1.00 0.00 C ATOM 1055 CD1 LEU A 67 1.587 -12.006 2.001 1.00 0.00 C ATOM 1056 CD2 LEU A 67 1.288 -13.178 -0.189 1.00 0.00 C ATOM 0 H LEU A 67 4.866 -11.763 -0.555 1.00 0.00 H new ATOM 0 HA LEU A 67 3.582 -9.142 -0.089 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.551 -10.264 0.122 1.00 0.00 H new ATOM 0 HB3 LEU A 67 2.337 -11.117 -1.191 1.00 0.00 H new ATOM 0 HG LEU A 67 3.151 -12.728 0.747 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.450 -12.959 2.512 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.262 -11.377 2.581 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.623 -11.507 1.900 1.00 0.00 H new ATOM 0 HD21 LEU A 67 1.153 -14.116 0.350 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.318 -12.706 -0.344 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.753 -13.378 -1.154 1.00 0.00 H new ATOM 1068 N PHE A 68 3.856 -9.114 2.352 1.00 0.00 N ATOM 1069 CA PHE A 68 4.107 -9.033 3.785 1.00 0.00 C ATOM 1070 C PHE A 68 2.916 -9.591 4.563 1.00 0.00 C ATOM 1071 O PHE A 68 3.084 -10.303 5.553 1.00 0.00 O ATOM 1072 CB PHE A 68 4.397 -7.574 4.182 1.00 0.00 C ATOM 1073 CG PHE A 68 3.618 -7.072 5.371 1.00 0.00 C ATOM 1074 CD1 PHE A 68 2.268 -6.780 5.260 1.00 0.00 C ATOM 1075 CD2 PHE A 68 4.241 -6.887 6.594 1.00 0.00 C ATOM 1076 CE1 PHE A 68 1.553 -6.313 6.346 1.00 0.00 C ATOM 1077 CE2 PHE A 68 3.531 -6.422 7.685 1.00 0.00 C ATOM 1078 CZ PHE A 68 2.185 -6.134 7.561 1.00 0.00 C ATOM 0 H PHE A 68 3.568 -8.234 1.924 1.00 0.00 H new ATOM 0 HA PHE A 68 4.981 -9.636 4.033 1.00 0.00 H new ATOM 0 HB2 PHE A 68 5.461 -7.476 4.396 1.00 0.00 H new ATOM 0 HB3 PHE A 68 4.183 -6.931 3.328 1.00 0.00 H new ATOM 0 HD1 PHE A 68 1.768 -6.919 4.313 1.00 0.00 H new ATOM 0 HD2 PHE A 68 5.293 -7.108 6.696 1.00 0.00 H new ATOM 0 HE1 PHE A 68 0.501 -6.088 6.245 1.00 0.00 H new ATOM 0 HE2 PHE A 68 4.028 -6.284 8.634 1.00 0.00 H new ATOM 0 HZ PHE A 68 1.629 -5.770 8.412 1.00 0.00 H new ATOM 1088 N GLU A 69 1.716 -9.259 4.102 1.00 0.00 N ATOM 1089 CA GLU A 69 0.489 -9.718 4.742 1.00 0.00 C ATOM 1090 C GLU A 69 -0.723 -9.366 3.886 1.00 0.00 C ATOM 1091 O GLU A 69 -0.622 -8.579 2.946 1.00 0.00 O ATOM 1092 CB GLU A 69 0.348 -9.093 6.132 1.00 0.00 C ATOM 1093 CG GLU A 69 -0.260 -10.032 7.161 1.00 0.00 C ATOM 1094 CD GLU A 69 -0.358 -9.402 8.537 1.00 0.00 C ATOM 1095 OE1 GLU A 69 0.616 -8.745 8.960 1.00 0.00 O ATOM 1096 OE2 GLU A 69 -1.409 -9.566 9.191 1.00 0.00 O ATOM 0 H GLU A 69 1.566 -8.670 3.283 1.00 0.00 H new ATOM 0 HA GLU A 69 0.540 -10.802 4.847 1.00 0.00 H new ATOM 0 HB2 GLU A 69 1.331 -8.774 6.479 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -0.270 -8.198 6.058 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -1.254 -10.332 6.831 1.00 0.00 H new ATOM 0 HG3 GLU A 69 0.343 -10.938 7.222 1.00 0.00 H new ATOM 1103 N LYS A 70 -1.870 -9.951 4.212 1.00 0.00 N ATOM 1104 CA LYS A 70 -3.093 -9.689 3.465 1.00 0.00 C ATOM 1105 C LYS A 70 -4.304 -9.651 4.391 1.00 0.00 C ATOM 1106 O LYS A 70 -4.488 -10.537 5.226 1.00 0.00 O ATOM 1107 CB LYS A 70 -3.295 -10.754 2.385 1.00 0.00 C ATOM 1108 CG LYS A 70 -3.049 -12.172 2.877 1.00 0.00 C ATOM 1109 CD LYS A 70 -3.124 -13.177 1.739 1.00 0.00 C ATOM 1110 CE LYS A 70 -2.064 -14.259 1.878 1.00 0.00 C ATOM 1111 NZ LYS A 70 -2.608 -15.612 1.578 1.00 0.00 N ATOM 0 H LYS A 70 -1.978 -10.607 4.985 1.00 0.00 H new ATOM 0 HA LYS A 70 -2.994 -8.713 2.990 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -4.313 -10.683 2.001 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.625 -10.546 1.551 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -2.069 -12.229 3.350 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -3.786 -12.427 3.638 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -4.113 -13.635 1.722 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -2.996 -12.661 0.788 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -1.235 -14.044 1.204 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -1.663 -14.246 2.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -1.854 -16.321 1.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -3.382 -15.829 2.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -2.968 -15.633 0.603 1.00 0.00 H new ATOM 1125 N LEU A 71 -5.129 -8.620 4.236 1.00 0.00 N ATOM 1126 CA LEU A 71 -6.324 -8.468 5.057 1.00 0.00 C ATOM 1127 C LEU A 71 -7.586 -8.547 4.205 1.00 0.00 C ATOM 1128 O LEU A 71 -7.764 -7.770 3.267 1.00 0.00 O ATOM 1129 CB LEU A 71 -6.286 -7.136 5.810 1.00 0.00 C ATOM 1130 CG LEU A 71 -6.086 -5.897 4.933 1.00 0.00 C ATOM 1131 CD1 LEU A 71 -6.692 -4.671 5.596 1.00 0.00 C ATOM 1132 CD2 LEU A 71 -4.608 -5.675 4.649 1.00 0.00 C ATOM 0 H LEU A 71 -4.991 -7.878 3.550 1.00 0.00 H new ATOM 0 HA LEU A 71 -6.343 -9.285 5.778 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -7.218 -7.023 6.363 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -5.482 -7.175 6.545 1.00 0.00 H new ATOM 0 HG LEU A 71 -6.596 -6.062 3.984 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -6.540 -3.800 4.958 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -7.760 -4.829 5.746 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -6.211 -4.503 6.560 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -4.486 -4.790 4.024 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.074 -5.532 5.589 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -4.203 -6.544 4.130 1.00 0.00 H new ATOM 1144 N GLU A 72 -8.461 -9.491 4.536 1.00 0.00 N ATOM 1145 CA GLU A 72 -9.704 -9.670 3.803 1.00 0.00 C ATOM 1146 C GLU A 72 -10.904 -9.501 4.733 1.00 0.00 C ATOM 1147 O GLU A 72 -11.159 -10.342 5.594 1.00 0.00 O ATOM 1148 CB GLU A 72 -9.726 -11.054 3.145 1.00 0.00 C ATOM 1149 CG GLU A 72 -11.112 -11.520 2.738 1.00 0.00 C ATOM 1150 CD GLU A 72 -11.088 -12.827 1.969 1.00 0.00 C ATOM 1151 OE1 GLU A 72 -10.355 -12.909 0.961 1.00 0.00 O ATOM 1152 OE2 GLU A 72 -11.801 -13.768 2.375 1.00 0.00 O ATOM 0 H GLU A 72 -8.330 -10.144 5.309 1.00 0.00 H new ATOM 0 HA GLU A 72 -9.766 -8.909 3.025 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -9.086 -11.036 2.263 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -9.297 -11.780 3.835 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -11.727 -11.639 3.630 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -11.584 -10.752 2.126 1.00 0.00 H new ATOM 1159 N TYR A 73 -11.636 -8.407 4.550 1.00 0.00 N ATOM 1160 CA TYR A 73 -12.809 -8.124 5.369 1.00 0.00 C ATOM 1161 C TYR A 73 -13.924 -7.520 4.522 1.00 0.00 C ATOM 1162 O TYR A 73 -13.662 -6.826 3.540 1.00 0.00 O ATOM 1163 CB TYR A 73 -12.444 -7.172 6.509 1.00 0.00 C ATOM 1164 CG TYR A 73 -13.558 -6.972 7.512 1.00 0.00 C ATOM 1165 CD1 TYR A 73 -13.878 -7.963 8.431 1.00 0.00 C ATOM 1166 CD2 TYR A 73 -14.291 -5.792 7.538 1.00 0.00 C ATOM 1167 CE1 TYR A 73 -14.896 -7.784 9.349 1.00 0.00 C ATOM 1168 CE2 TYR A 73 -15.310 -5.605 8.452 1.00 0.00 C ATOM 1169 CZ TYR A 73 -15.609 -6.604 9.355 1.00 0.00 C ATOM 1170 OH TYR A 73 -16.623 -6.421 10.267 1.00 0.00 O ATOM 0 H TYR A 73 -11.437 -7.701 3.841 1.00 0.00 H new ATOM 0 HA TYR A 73 -13.164 -9.063 5.792 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -11.566 -7.558 7.026 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -12.167 -6.205 6.089 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -13.322 -8.889 8.428 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -14.060 -5.008 6.832 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -15.131 -8.564 10.058 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -15.870 -4.681 8.459 1.00 0.00 H new ATOM 0 HH TYR A 73 -17.023 -5.536 10.138 1.00 0.00 H new ATOM 1180 N GLU A 74 -15.168 -7.784 4.907 1.00 0.00 N ATOM 1181 CA GLU A 74 -16.315 -7.258 4.175 1.00 0.00 C ATOM 1182 C GLU A 74 -17.197 -6.400 5.075 1.00 0.00 C ATOM 1183 O GLU A 74 -17.726 -6.870 6.083 1.00 0.00 O ATOM 1184 CB GLU A 74 -17.141 -8.393 3.565 1.00 0.00 C ATOM 1185 CG GLU A 74 -17.367 -9.564 4.506 1.00 0.00 C ATOM 1186 CD GLU A 74 -17.613 -10.866 3.768 1.00 0.00 C ATOM 1187 OE1 GLU A 74 -16.688 -11.341 3.077 1.00 0.00 O ATOM 1188 OE2 GLU A 74 -18.732 -11.410 3.882 1.00 0.00 O ATOM 0 H GLU A 74 -15.407 -8.356 5.717 1.00 0.00 H new ATOM 0 HA GLU A 74 -15.930 -6.632 3.370 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -18.108 -7.998 3.253 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -16.639 -8.753 2.667 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -16.498 -9.677 5.155 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -18.220 -9.349 5.150 1.00 0.00 H new ATOM 1195 N PHE A 75 -17.357 -5.142 4.689 1.00 0.00 N ATOM 1196 CA PHE A 75 -18.177 -4.200 5.429 1.00 0.00 C ATOM 1197 C PHE A 75 -19.656 -4.565 5.298 1.00 0.00 C ATOM 1198 O PHE A 75 -20.030 -5.342 4.421 1.00 0.00 O ATOM 1199 CB PHE A 75 -17.923 -2.783 4.915 1.00 0.00 C ATOM 1200 CG PHE A 75 -16.955 -1.986 5.751 1.00 0.00 C ATOM 1201 CD1 PHE A 75 -16.937 -2.100 7.134 1.00 0.00 C ATOM 1202 CD2 PHE A 75 -16.060 -1.118 5.145 1.00 0.00 C ATOM 1203 CE1 PHE A 75 -16.046 -1.365 7.893 1.00 0.00 C ATOM 1204 CE2 PHE A 75 -15.167 -0.381 5.900 1.00 0.00 C ATOM 1205 CZ PHE A 75 -15.160 -0.505 7.275 1.00 0.00 C ATOM 0 H PHE A 75 -16.922 -4.748 3.855 1.00 0.00 H new ATOM 0 HA PHE A 75 -17.909 -4.245 6.485 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -17.542 -2.841 3.895 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -18.872 -2.249 4.871 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -17.628 -2.771 7.623 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -16.060 -1.016 4.070 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -16.043 -1.463 8.969 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -14.475 0.291 5.415 1.00 0.00 H new ATOM 0 HZ PHE A 75 -14.463 0.070 7.866 1.00 0.00 H new ATOM 1215 N PRO A 76 -20.517 -4.015 6.173 1.00 0.00 N ATOM 1216 CA PRO A 76 -21.957 -4.284 6.159 1.00 0.00 C ATOM 1217 C PRO A 76 -22.571 -4.087 4.778 1.00 0.00 C ATOM 1218 O PRO A 76 -23.127 -3.031 4.478 1.00 0.00 O ATOM 1219 CB PRO A 76 -22.538 -3.269 7.156 1.00 0.00 C ATOM 1220 CG PRO A 76 -21.429 -2.313 7.443 1.00 0.00 C ATOM 1221 CD PRO A 76 -20.157 -3.081 7.237 1.00 0.00 C ATOM 0 HA PRO A 76 -22.172 -5.320 6.423 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -23.401 -2.754 6.734 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -22.876 -3.763 8.067 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -21.476 -1.450 6.778 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -21.495 -1.934 8.463 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -19.334 -2.430 6.943 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -19.845 -3.600 8.144 1.00 0.00 H new ATOM 1229 N ASP A 77 -22.454 -5.122 3.950 1.00 0.00 N ATOM 1230 CA ASP A 77 -22.981 -5.120 2.579 1.00 0.00 C ATOM 1231 C ASP A 77 -21.908 -4.711 1.571 1.00 0.00 C ATOM 1232 O ASP A 77 -22.216 -4.362 0.432 1.00 0.00 O ATOM 1233 CB ASP A 77 -24.199 -4.197 2.447 1.00 0.00 C ATOM 1234 CG ASP A 77 -25.108 -4.599 1.302 1.00 0.00 C ATOM 1235 OD1 ASP A 77 -25.844 -5.597 1.450 1.00 0.00 O ATOM 1236 OD2 ASP A 77 -25.084 -3.915 0.257 1.00 0.00 O ATOM 0 H ASP A 77 -21.989 -5.992 4.208 1.00 0.00 H new ATOM 0 HA ASP A 77 -23.295 -6.140 2.358 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -24.765 -4.211 3.379 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -23.860 -3.172 2.296 1.00 0.00 H new ATOM 1241 N ARG A 78 -20.649 -4.763 1.995 1.00 0.00 N ATOM 1242 CA ARG A 78 -19.533 -4.406 1.129 1.00 0.00 C ATOM 1243 C ARG A 78 -18.386 -5.400 1.292 1.00 0.00 C ATOM 1244 O ARG A 78 -18.158 -5.925 2.381 1.00 0.00 O ATOM 1245 CB ARG A 78 -19.050 -2.989 1.445 1.00 0.00 C ATOM 1246 CG ARG A 78 -17.927 -2.510 0.538 1.00 0.00 C ATOM 1247 CD ARG A 78 -17.481 -1.102 0.898 1.00 0.00 C ATOM 1248 NE ARG A 78 -16.053 -0.900 0.662 1.00 0.00 N ATOM 1249 CZ ARG A 78 -15.382 0.181 1.055 1.00 0.00 C ATOM 1250 NH1 ARG A 78 -16.004 1.158 1.702 1.00 0.00 N ATOM 1251 NH2 ARG A 78 -14.084 0.286 0.799 1.00 0.00 N ATOM 0 H ARG A 78 -20.377 -5.050 2.935 1.00 0.00 H new ATOM 0 HA ARG A 78 -19.876 -4.440 0.095 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -19.891 -2.301 1.362 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -18.710 -2.953 2.480 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -17.080 -3.192 0.615 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -18.261 -2.533 -0.499 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -18.050 -0.381 0.312 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -17.706 -0.908 1.947 1.00 0.00 H new ATOM 0 HE ARG A 78 -15.540 -1.630 0.167 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -17.002 1.084 1.901 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -15.485 1.984 2.000 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -13.600 -0.461 0.301 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -13.570 1.114 1.100 1.00 0.00 H new ATOM 1265 N HIS A 79 -17.665 -5.653 0.205 1.00 0.00 N ATOM 1266 CA HIS A 79 -16.541 -6.583 0.232 1.00 0.00 C ATOM 1267 C HIS A 79 -15.248 -5.874 -0.155 1.00 0.00 C ATOM 1268 O HIS A 79 -14.974 -5.663 -1.336 1.00 0.00 O ATOM 1269 CB HIS A 79 -16.798 -7.756 -0.716 1.00 0.00 C ATOM 1270 CG HIS A 79 -16.017 -8.986 -0.370 1.00 0.00 C ATOM 1271 ND1 HIS A 79 -15.217 -9.260 0.688 1.00 0.00 N flip ATOM 1272 CD2 HIS A 79 -16.006 -10.117 -1.160 1.00 0.00 C flip ATOM 1273 CE1 HIS A 79 -14.743 -10.537 0.519 1.00 0.00 C flip ATOM 1274 NE2 HIS A 79 -15.233 -11.033 -0.602 1.00 0.00 N flip ATOM 0 H HIS A 79 -17.838 -5.227 -0.706 1.00 0.00 H new ATOM 0 HA HIS A 79 -16.438 -6.965 1.248 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -17.861 -7.995 -0.705 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -16.550 -7.452 -1.733 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -16.544 -10.236 -2.089 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -14.077 -11.053 1.194 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -15.047 -11.964 -0.974 1.00 0.00 H new ATOM 1283 N ILE A 80 -14.458 -5.502 0.847 1.00 0.00 N ATOM 1284 CA ILE A 80 -13.200 -4.813 0.613 1.00 0.00 C ATOM 1285 C ILE A 80 -12.011 -5.738 0.867 1.00 0.00 C ATOM 1286 O ILE A 80 -11.839 -6.259 1.969 1.00 0.00 O ATOM 1287 CB ILE A 80 -13.083 -3.559 1.508 1.00 0.00 C ATOM 1288 CG1 ILE A 80 -11.659 -3.011 1.479 1.00 0.00 C ATOM 1289 CG2 ILE A 80 -13.498 -3.881 2.937 1.00 0.00 C ATOM 1290 CD1 ILE A 80 -11.523 -1.639 2.104 1.00 0.00 C ATOM 0 H ILE A 80 -14.670 -5.668 1.831 1.00 0.00 H new ATOM 0 HA ILE A 80 -13.187 -4.504 -0.432 1.00 0.00 H new ATOM 0 HB ILE A 80 -13.755 -2.796 1.117 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -11.001 -3.705 2.001 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -11.318 -2.965 0.445 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -13.409 -2.986 3.552 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -14.532 -4.227 2.947 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -12.851 -4.662 3.337 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -10.484 -1.315 2.047 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -12.154 -0.931 1.568 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -11.833 -1.683 3.148 1.00 0.00 H new ATOM 1302 N THR A 81 -11.192 -5.928 -0.161 1.00 0.00 N ATOM 1303 CA THR A 81 -10.013 -6.780 -0.055 1.00 0.00 C ATOM 1304 C THR A 81 -8.742 -5.937 -0.091 1.00 0.00 C ATOM 1305 O THR A 81 -8.515 -5.183 -1.036 1.00 0.00 O ATOM 1306 CB THR A 81 -9.995 -7.807 -1.191 1.00 0.00 C ATOM 1307 OG1 THR A 81 -11.264 -7.888 -1.816 1.00 0.00 O ATOM 1308 CG2 THR A 81 -9.621 -9.199 -0.733 1.00 0.00 C ATOM 0 H THR A 81 -11.323 -5.503 -1.079 1.00 0.00 H new ATOM 0 HA THR A 81 -10.054 -7.309 0.897 1.00 0.00 H new ATOM 0 HB THR A 81 -9.234 -7.453 -1.887 1.00 0.00 H new ATOM 0 HG1 THR A 81 -11.361 -8.762 -2.248 1.00 0.00 H new ATOM 0 HG21 THR A 81 -9.627 -9.877 -1.587 1.00 0.00 H new ATOM 0 HG22 THR A 81 -8.625 -9.181 -0.291 1.00 0.00 H new ATOM 0 HG23 THR A 81 -10.341 -9.544 0.009 1.00 0.00 H new ATOM 1316 N LEU A 82 -7.921 -6.060 0.947 1.00 0.00 N ATOM 1317 CA LEU A 82 -6.681 -5.296 1.028 1.00 0.00 C ATOM 1318 C LEU A 82 -5.480 -6.209 1.254 1.00 0.00 C ATOM 1319 O LEU A 82 -5.364 -6.853 2.296 1.00 0.00 O ATOM 1320 CB LEU A 82 -6.768 -4.269 2.158 1.00 0.00 C ATOM 1321 CG LEU A 82 -7.206 -2.869 1.729 1.00 0.00 C ATOM 1322 CD1 LEU A 82 -7.500 -2.010 2.948 1.00 0.00 C ATOM 1323 CD2 LEU A 82 -6.139 -2.220 0.861 1.00 0.00 C ATOM 0 H LEU A 82 -8.091 -6.678 1.740 1.00 0.00 H new ATOM 0 HA LEU A 82 -6.544 -4.781 0.077 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -7.466 -4.637 2.910 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -5.792 -4.196 2.638 1.00 0.00 H new ATOM 0 HG LEU A 82 -8.119 -2.956 1.141 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -7.811 -1.016 2.626 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -8.298 -2.468 3.532 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -6.602 -1.929 3.561 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -6.467 -1.224 0.565 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -5.209 -2.143 1.424 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -5.975 -2.828 -0.029 1.00 0.00 H new ATOM 1335 N TRP A 83 -4.584 -6.255 0.272 1.00 0.00 N ATOM 1336 CA TRP A 83 -3.389 -7.082 0.372 1.00 0.00 C ATOM 1337 C TRP A 83 -2.152 -6.221 0.576 1.00 0.00 C ATOM 1338 O TRP A 83 -1.841 -5.354 -0.240 1.00 0.00 O ATOM 1339 CB TRP A 83 -3.217 -7.936 -0.886 1.00 0.00 C ATOM 1340 CG TRP A 83 -4.304 -8.946 -1.065 1.00 0.00 C ATOM 1341 CD1 TRP A 83 -5.623 -8.774 -0.780 1.00 0.00 C ATOM 1342 CD2 TRP A 83 -4.168 -10.281 -1.564 1.00 0.00 C ATOM 1343 NE1 TRP A 83 -6.322 -9.918 -1.072 1.00 0.00 N ATOM 1344 CE2 TRP A 83 -5.451 -10.859 -1.555 1.00 0.00 C ATOM 1345 CE3 TRP A 83 -3.088 -11.044 -2.018 1.00 0.00 C ATOM 1346 CZ2 TRP A 83 -5.683 -12.164 -1.982 1.00 0.00 C ATOM 1347 CZ3 TRP A 83 -3.319 -12.339 -2.442 1.00 0.00 C ATOM 1348 CH2 TRP A 83 -4.608 -12.888 -2.422 1.00 0.00 C ATOM 0 H TRP A 83 -4.664 -5.730 -0.599 1.00 0.00 H new ATOM 0 HA TRP A 83 -3.509 -7.738 1.234 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -3.188 -7.284 -1.759 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -2.257 -8.450 -0.840 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -6.057 -7.869 -0.382 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -7.326 -10.047 -0.949 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -2.091 -10.629 -2.037 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -6.676 -12.590 -1.967 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -2.492 -12.938 -2.795 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -4.756 -13.903 -2.761 1.00 0.00 H new ATOM 1359 N PHE A 84 -1.441 -6.479 1.664 1.00 0.00 N ATOM 1360 CA PHE A 84 -0.222 -5.736 1.970 1.00 0.00 C ATOM 1361 C PHE A 84 0.991 -6.481 1.417 1.00 0.00 C ATOM 1362 O PHE A 84 1.352 -7.551 1.907 1.00 0.00 O ATOM 1363 CB PHE A 84 -0.079 -5.519 3.484 1.00 0.00 C ATOM 1364 CG PHE A 84 -0.935 -4.400 4.027 1.00 0.00 C ATOM 1365 CD1 PHE A 84 -2.105 -4.026 3.382 1.00 0.00 C ATOM 1366 CD2 PHE A 84 -0.569 -3.721 5.185 1.00 0.00 C ATOM 1367 CE1 PHE A 84 -2.891 -3.003 3.876 1.00 0.00 C ATOM 1368 CE2 PHE A 84 -1.354 -2.697 5.681 1.00 0.00 C ATOM 1369 CZ PHE A 84 -2.515 -2.338 5.026 1.00 0.00 C ATOM 0 H PHE A 84 -1.684 -7.194 2.349 1.00 0.00 H new ATOM 0 HA PHE A 84 -0.282 -4.756 1.496 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -0.338 -6.444 3.999 1.00 0.00 H new ATOM 0 HB3 PHE A 84 0.965 -5.308 3.713 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -2.405 -4.541 2.482 1.00 0.00 H new ATOM 0 HD2 PHE A 84 0.338 -3.997 5.702 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -3.799 -2.724 3.363 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -1.059 -2.178 6.581 1.00 0.00 H new ATOM 0 HZ PHE A 84 -3.129 -1.538 5.413 1.00 0.00 H new ATOM 1379 N TRP A 85 1.601 -5.921 0.376 1.00 0.00 N ATOM 1380 CA TRP A 85 2.754 -6.547 -0.264 1.00 0.00 C ATOM 1381 C TRP A 85 4.073 -5.978 0.248 1.00 0.00 C ATOM 1382 O TRP A 85 4.156 -4.809 0.625 1.00 0.00 O ATOM 1383 CB TRP A 85 2.663 -6.397 -1.782 1.00 0.00 C ATOM 1384 CG TRP A 85 1.567 -7.224 -2.379 1.00 0.00 C ATOM 1385 CD1 TRP A 85 0.230 -7.113 -2.131 1.00 0.00 C ATOM 1386 CD2 TRP A 85 1.714 -8.298 -3.315 1.00 0.00 C ATOM 1387 NE1 TRP A 85 -0.464 -8.051 -2.855 1.00 0.00 N ATOM 1388 CE2 TRP A 85 0.424 -8.790 -3.591 1.00 0.00 C ATOM 1389 CE3 TRP A 85 2.810 -8.891 -3.948 1.00 0.00 C ATOM 1390 CZ2 TRP A 85 0.202 -9.846 -4.471 1.00 0.00 C ATOM 1391 CZ3 TRP A 85 2.588 -9.939 -4.821 1.00 0.00 C ATOM 1392 CH2 TRP A 85 1.293 -10.407 -5.076 1.00 0.00 C ATOM 0 H TRP A 85 1.316 -5.035 -0.042 1.00 0.00 H new ATOM 0 HA TRP A 85 2.736 -7.606 -0.006 1.00 0.00 H new ATOM 0 HB2 TRP A 85 2.498 -5.349 -2.030 1.00 0.00 H new ATOM 0 HB3 TRP A 85 3.615 -6.685 -2.229 1.00 0.00 H new ATOM 0 HD1 TRP A 85 -0.217 -6.392 -1.463 1.00 0.00 H new ATOM 0 HE1 TRP A 85 -1.476 -8.177 -2.846 1.00 0.00 H new ATOM 0 HE3 TRP A 85 3.812 -8.537 -3.758 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 -0.796 -10.209 -4.669 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 3.428 -10.405 -5.315 1.00 0.00 H new ATOM 0 HH2 TRP A 85 1.153 -11.227 -5.764 1.00 0.00 H new ATOM 1403 N LEU A 86 5.100 -6.825 0.264 1.00 0.00 N ATOM 1404 CA LEU A 86 6.420 -6.428 0.737 1.00 0.00 C ATOM 1405 C LEU A 86 7.341 -6.050 -0.422 1.00 0.00 C ATOM 1406 O LEU A 86 7.361 -6.707 -1.459 1.00 0.00 O ATOM 1407 CB LEU A 86 7.047 -7.557 1.555 1.00 0.00 C ATOM 1408 CG LEU A 86 8.464 -7.282 2.062 1.00 0.00 C ATOM 1409 CD1 LEU A 86 8.422 -6.568 3.404 1.00 0.00 C ATOM 1410 CD2 LEU A 86 9.250 -8.580 2.172 1.00 0.00 C ATOM 0 H LEU A 86 5.040 -7.795 -0.047 1.00 0.00 H new ATOM 0 HA LEU A 86 6.297 -5.548 1.368 1.00 0.00 H new ATOM 0 HB2 LEU A 86 6.405 -7.764 2.411 1.00 0.00 H new ATOM 0 HB3 LEU A 86 7.065 -8.460 0.945 1.00 0.00 H new ATOM 0 HG LEU A 86 8.967 -6.634 1.345 1.00 0.00 H new ATOM 0 HD11 LEU A 86 9.439 -6.381 3.749 1.00 0.00 H new ATOM 0 HD12 LEU A 86 7.895 -5.620 3.295 1.00 0.00 H new ATOM 0 HD13 LEU A 86 7.901 -7.191 4.131 1.00 0.00 H new ATOM 0 HD21 LEU A 86 10.256 -8.367 2.534 1.00 0.00 H new ATOM 0 HD22 LEU A 86 8.748 -9.251 2.869 1.00 0.00 H new ATOM 0 HD23 LEU A 86 9.310 -9.053 1.192 1.00 0.00 H new ATOM 1422 N VAL A 87 8.095 -4.978 -0.224 1.00 0.00 N ATOM 1423 CA VAL A 87 9.037 -4.472 -1.221 1.00 0.00 C ATOM 1424 C VAL A 87 10.421 -4.382 -0.636 1.00 0.00 C ATOM 1425 O VAL A 87 10.568 -4.116 0.556 1.00 0.00 O ATOM 1426 CB VAL A 87 8.650 -3.088 -1.713 1.00 0.00 C ATOM 1427 CG1 VAL A 87 9.569 -2.635 -2.837 1.00 0.00 C ATOM 1428 CG2 VAL A 87 7.198 -3.090 -2.153 1.00 0.00 C ATOM 0 H VAL A 87 8.073 -4.430 0.636 1.00 0.00 H new ATOM 0 HA VAL A 87 9.014 -5.171 -2.057 1.00 0.00 H new ATOM 0 HB VAL A 87 8.764 -2.376 -0.896 1.00 0.00 H new ATOM 0 HG11 VAL A 87 9.271 -1.641 -3.172 1.00 0.00 H new ATOM 0 HG12 VAL A 87 10.597 -2.604 -2.476 1.00 0.00 H new ATOM 0 HG13 VAL A 87 9.498 -3.335 -3.669 1.00 0.00 H new ATOM 0 HG21 VAL A 87 6.923 -2.096 -2.505 1.00 0.00 H new ATOM 0 HG22 VAL A 87 7.063 -3.811 -2.959 1.00 0.00 H new ATOM 0 HG23 VAL A 87 6.563 -3.365 -1.311 1.00 0.00 H new ATOM 1438 N GLU A 88 11.439 -4.622 -1.446 1.00 0.00 N ATOM 1439 CA GLU A 88 12.790 -4.565 -0.918 1.00 0.00 C ATOM 1440 C GLU A 88 13.615 -3.376 -1.433 1.00 0.00 C ATOM 1441 O GLU A 88 14.545 -2.942 -0.754 1.00 0.00 O ATOM 1442 CB GLU A 88 13.525 -5.878 -1.200 1.00 0.00 C ATOM 1443 CG GLU A 88 14.972 -5.882 -0.733 1.00 0.00 C ATOM 1444 CD GLU A 88 15.098 -5.857 0.777 1.00 0.00 C ATOM 1445 OE1 GLU A 88 14.608 -6.803 1.430 1.00 0.00 O ATOM 1446 OE2 GLU A 88 15.686 -4.891 1.308 1.00 0.00 O ATOM 0 H GLU A 88 11.362 -4.850 -2.437 1.00 0.00 H new ATOM 0 HA GLU A 88 12.685 -4.416 0.157 1.00 0.00 H new ATOM 0 HB2 GLU A 88 12.993 -6.694 -0.711 1.00 0.00 H new ATOM 0 HB3 GLU A 88 13.498 -6.076 -2.271 1.00 0.00 H new ATOM 0 HG2 GLU A 88 15.472 -6.769 -1.121 1.00 0.00 H new ATOM 0 HG3 GLU A 88 15.487 -5.017 -1.151 1.00 0.00 H new ATOM 1453 N ARG A 89 13.308 -2.854 -2.618 1.00 0.00 N ATOM 1454 CA ARG A 89 14.078 -1.734 -3.155 1.00 0.00 C ATOM 1455 C ARG A 89 13.330 -1.029 -4.281 1.00 0.00 C ATOM 1456 O ARG A 89 12.382 -1.575 -4.842 1.00 0.00 O ATOM 1457 CB ARG A 89 15.445 -2.238 -3.643 1.00 0.00 C ATOM 1458 CG ARG A 89 16.096 -1.368 -4.711 1.00 0.00 C ATOM 1459 CD ARG A 89 17.422 -1.950 -5.176 1.00 0.00 C ATOM 1460 NE ARG A 89 18.530 -1.022 -4.967 1.00 0.00 N ATOM 1461 CZ ARG A 89 18.649 0.145 -5.596 1.00 0.00 C ATOM 1462 NH1 ARG A 89 17.730 0.530 -6.474 1.00 0.00 N ATOM 1463 NH2 ARG A 89 19.688 0.930 -5.347 1.00 0.00 N ATOM 0 H ARG A 89 12.548 -3.180 -3.215 1.00 0.00 H new ATOM 0 HA ARG A 89 14.226 -1.004 -2.359 1.00 0.00 H new ATOM 0 HB2 ARG A 89 16.118 -2.307 -2.789 1.00 0.00 H new ATOM 0 HB3 ARG A 89 15.326 -3.247 -4.037 1.00 0.00 H new ATOM 0 HG2 ARG A 89 15.422 -1.271 -5.562 1.00 0.00 H new ATOM 0 HG3 ARG A 89 16.257 -0.365 -4.316 1.00 0.00 H new ATOM 0 HD2 ARG A 89 17.619 -2.877 -4.638 1.00 0.00 H new ATOM 0 HD3 ARG A 89 17.356 -2.203 -6.234 1.00 0.00 H new ATOM 0 HE ARG A 89 19.256 -1.284 -4.300 1.00 0.00 H new ATOM 0 HH11 ARG A 89 16.928 -0.070 -6.669 1.00 0.00 H new ATOM 0 HH12 ARG A 89 17.826 1.425 -6.953 1.00 0.00 H new ATOM 0 HH21 ARG A 89 20.397 0.640 -4.673 1.00 0.00 H new ATOM 0 HH22 ARG A 89 19.779 1.824 -5.829 1.00 0.00 H new ATOM 1477 N TRP A 90 13.780 0.178 -4.623 1.00 0.00 N ATOM 1478 CA TRP A 90 13.166 0.940 -5.702 1.00 0.00 C ATOM 1479 C TRP A 90 14.133 1.975 -6.273 1.00 0.00 C ATOM 1480 O TRP A 90 14.659 2.817 -5.545 1.00 0.00 O ATOM 1481 CB TRP A 90 11.854 1.585 -5.227 1.00 0.00 C ATOM 1482 CG TRP A 90 11.988 2.964 -4.657 1.00 0.00 C ATOM 1483 CD1 TRP A 90 12.293 4.108 -5.336 1.00 0.00 C ATOM 1484 CD2 TRP A 90 11.788 3.344 -3.294 1.00 0.00 C ATOM 1485 NE1 TRP A 90 12.299 5.178 -4.475 1.00 0.00 N ATOM 1486 CE2 TRP A 90 11.990 4.734 -3.216 1.00 0.00 C ATOM 1487 CE3 TRP A 90 11.457 2.643 -2.131 1.00 0.00 C ATOM 1488 CZ2 TRP A 90 11.870 5.437 -2.022 1.00 0.00 C ATOM 1489 CZ3 TRP A 90 11.339 3.343 -0.945 1.00 0.00 C ATOM 1490 CH2 TRP A 90 11.544 4.728 -0.899 1.00 0.00 C ATOM 0 H TRP A 90 14.565 0.645 -4.168 1.00 0.00 H new ATOM 0 HA TRP A 90 12.925 0.252 -6.512 1.00 0.00 H new ATOM 0 HB2 TRP A 90 11.162 1.623 -6.068 1.00 0.00 H new ATOM 0 HB3 TRP A 90 11.404 0.940 -4.472 1.00 0.00 H new ATOM 0 HD1 TRP A 90 12.499 4.164 -6.395 1.00 0.00 H new ATOM 0 HE1 TRP A 90 12.500 6.145 -4.731 1.00 0.00 H new ATOM 0 HE3 TRP A 90 11.297 1.575 -2.158 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 12.029 6.505 -1.983 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 11.085 2.813 -0.039 1.00 0.00 H new ATOM 0 HH2 TRP A 90 11.442 5.247 0.043 1.00 0.00 H new ATOM 1501 N GLU A 91 14.372 1.898 -7.584 1.00 0.00 N ATOM 1502 CA GLU A 91 15.283 2.822 -8.249 1.00 0.00 C ATOM 1503 C GLU A 91 14.655 4.204 -8.395 1.00 0.00 C ATOM 1504 O GLU A 91 13.442 4.332 -8.562 1.00 0.00 O ATOM 1505 CB GLU A 91 15.675 2.281 -9.626 1.00 0.00 C ATOM 1506 CG GLU A 91 16.836 1.301 -9.586 1.00 0.00 C ATOM 1507 CD GLU A 91 17.450 1.069 -10.953 1.00 0.00 C ATOM 1508 OE1 GLU A 91 16.686 0.932 -11.931 1.00 0.00 O ATOM 1509 OE2 GLU A 91 18.695 1.025 -11.045 1.00 0.00 O ATOM 0 H GLU A 91 13.947 1.206 -8.202 1.00 0.00 H new ATOM 0 HA GLU A 91 16.176 2.915 -7.632 1.00 0.00 H new ATOM 0 HB2 GLU A 91 14.811 1.790 -10.074 1.00 0.00 H new ATOM 0 HB3 GLU A 91 15.938 3.117 -10.274 1.00 0.00 H new ATOM 0 HG2 GLU A 91 17.601 1.677 -8.907 1.00 0.00 H new ATOM 0 HG3 GLU A 91 16.490 0.350 -9.181 1.00 0.00 H new ATOM 1516 N GLY A 92 15.491 5.236 -8.331 1.00 0.00 N ATOM 1517 CA GLY A 92 15.003 6.598 -8.459 1.00 0.00 C ATOM 1518 C GLY A 92 13.918 6.925 -7.451 1.00 0.00 C ATOM 1519 O GLY A 92 14.094 6.716 -6.250 1.00 0.00 O ATOM 0 H GLY A 92 16.498 5.154 -8.193 1.00 0.00 H new ATOM 0 HA2 GLY A 92 15.834 7.292 -8.331 1.00 0.00 H new ATOM 0 HA3 GLY A 92 14.615 6.748 -9.467 1.00 0.00 H new ATOM 1523 N GLU A 93 12.795 7.437 -7.941 1.00 0.00 N ATOM 1524 CA GLU A 93 11.676 7.792 -7.076 1.00 0.00 C ATOM 1525 C GLU A 93 10.396 7.098 -7.536 1.00 0.00 C ATOM 1526 O GLU A 93 10.187 6.901 -8.733 1.00 0.00 O ATOM 1527 CB GLU A 93 11.473 9.308 -7.065 1.00 0.00 C ATOM 1528 CG GLU A 93 12.763 10.094 -6.901 1.00 0.00 C ATOM 1529 CD GLU A 93 12.585 11.574 -7.181 1.00 0.00 C ATOM 1530 OE1 GLU A 93 11.973 12.267 -6.341 1.00 0.00 O ATOM 1531 OE2 GLU A 93 13.056 12.039 -8.240 1.00 0.00 O ATOM 0 H GLU A 93 12.635 7.616 -8.932 1.00 0.00 H new ATOM 0 HA GLU A 93 11.908 7.458 -6.065 1.00 0.00 H new ATOM 0 HB2 GLU A 93 10.990 9.608 -7.995 1.00 0.00 H new ATOM 0 HB3 GLU A 93 10.793 9.569 -6.254 1.00 0.00 H new ATOM 0 HG2 GLU A 93 13.137 9.963 -5.886 1.00 0.00 H new ATOM 0 HG3 GLU A 93 13.519 9.689 -7.574 1.00 0.00 H new ATOM 1538 N PRO A 94 9.512 6.725 -6.593 1.00 0.00 N ATOM 1539 CA PRO A 94 8.250 6.063 -6.909 1.00 0.00 C ATOM 1540 C PRO A 94 7.225 7.047 -7.444 1.00 0.00 C ATOM 1541 O PRO A 94 6.974 8.085 -6.830 1.00 0.00 O ATOM 1542 CB PRO A 94 7.786 5.482 -5.560 1.00 0.00 C ATOM 1543 CG PRO A 94 8.890 5.764 -4.591 1.00 0.00 C ATOM 1544 CD PRO A 94 9.652 6.928 -5.151 1.00 0.00 C ATOM 0 HA PRO A 94 8.367 5.305 -7.683 1.00 0.00 H new ATOM 0 HB2 PRO A 94 6.854 5.944 -5.235 1.00 0.00 H new ATOM 0 HB3 PRO A 94 7.600 4.411 -5.639 1.00 0.00 H new ATOM 0 HG2 PRO A 94 8.491 5.999 -3.604 1.00 0.00 H new ATOM 0 HG3 PRO A 94 9.537 4.895 -4.475 1.00 0.00 H new ATOM 0 HD2 PRO A 94 9.231 7.881 -4.831 1.00 0.00 H new ATOM 0 HD3 PRO A 94 10.696 6.919 -4.838 1.00 0.00 H new ATOM 1552 N TRP A 95 6.628 6.727 -8.584 1.00 0.00 N ATOM 1553 CA TRP A 95 5.632 7.607 -9.170 1.00 0.00 C ATOM 1554 C TRP A 95 4.389 6.844 -9.593 1.00 0.00 C ATOM 1555 O TRP A 95 3.282 7.140 -9.142 1.00 0.00 O ATOM 1556 CB TRP A 95 6.205 8.371 -10.368 1.00 0.00 C ATOM 1557 CG TRP A 95 6.893 7.521 -11.406 1.00 0.00 C ATOM 1558 CD1 TRP A 95 8.220 7.212 -11.456 1.00 0.00 C ATOM 1559 CD2 TRP A 95 6.297 6.896 -12.554 1.00 0.00 C ATOM 1560 NE1 TRP A 95 8.493 6.455 -12.574 1.00 0.00 N ATOM 1561 CE2 TRP A 95 7.329 6.249 -13.263 1.00 0.00 C ATOM 1562 CE3 TRP A 95 4.993 6.823 -13.054 1.00 0.00 C ATOM 1563 CZ2 TRP A 95 7.098 5.550 -14.445 1.00 0.00 C ATOM 1564 CZ3 TRP A 95 4.765 6.123 -14.224 1.00 0.00 C ATOM 1565 CH2 TRP A 95 5.813 5.499 -14.911 1.00 0.00 C ATOM 0 H TRP A 95 6.814 5.876 -9.114 1.00 0.00 H new ATOM 0 HA TRP A 95 5.349 8.323 -8.398 1.00 0.00 H new ATOM 0 HB2 TRP A 95 5.395 8.919 -10.850 1.00 0.00 H new ATOM 0 HB3 TRP A 95 6.915 9.111 -10.000 1.00 0.00 H new ATOM 0 HD1 TRP A 95 8.953 7.517 -10.724 1.00 0.00 H new ATOM 0 HE1 TRP A 95 9.412 6.105 -12.844 1.00 0.00 H new ATOM 0 HE3 TRP A 95 4.178 7.305 -12.535 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 7.905 5.065 -14.975 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 3.760 6.056 -14.615 1.00 0.00 H new ATOM 0 HH2 TRP A 95 5.603 4.967 -15.827 1.00 0.00 H new ATOM 1576 N GLY A 96 4.577 5.866 -10.467 1.00 0.00 N ATOM 1577 CA GLY A 96 3.459 5.073 -10.951 1.00 0.00 C ATOM 1578 C GLY A 96 2.246 5.916 -11.308 1.00 0.00 C ATOM 1579 O GLY A 96 2.164 6.469 -12.404 1.00 0.00 O ATOM 0 H GLY A 96 5.485 5.605 -10.852 1.00 0.00 H new ATOM 0 HA2 GLY A 96 3.774 4.508 -11.829 1.00 0.00 H new ATOM 0 HA3 GLY A 96 3.178 4.346 -10.188 1.00 0.00 H new ATOM 1583 N LYS A 97 1.302 6.009 -10.374 1.00 0.00 N ATOM 1584 CA LYS A 97 0.083 6.784 -10.585 1.00 0.00 C ATOM 1585 C LYS A 97 -0.828 6.724 -9.360 1.00 0.00 C ATOM 1586 O LYS A 97 -2.051 6.772 -9.484 1.00 0.00 O ATOM 1587 CB LYS A 97 -0.673 6.269 -11.813 1.00 0.00 C ATOM 1588 CG LYS A 97 -1.685 7.261 -12.364 1.00 0.00 C ATOM 1589 CD LYS A 97 -3.113 6.826 -12.071 1.00 0.00 C ATOM 1590 CE LYS A 97 -3.953 7.981 -11.549 1.00 0.00 C ATOM 1591 NZ LYS A 97 -4.616 8.730 -12.652 1.00 0.00 N ATOM 0 H LYS A 97 1.359 5.556 -9.462 1.00 0.00 H new ATOM 0 HA LYS A 97 0.375 7.821 -10.750 1.00 0.00 H new ATOM 0 HB2 LYS A 97 0.045 6.023 -12.595 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -1.188 5.345 -11.551 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -1.507 8.244 -11.928 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -1.548 7.361 -13.441 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -3.566 6.427 -12.978 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -3.105 6.020 -11.337 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -4.710 7.599 -10.864 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -3.320 8.661 -10.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -5.179 9.509 -12.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -3.893 9.117 -13.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -5.240 8.088 -13.182 1.00 0.00 H new ATOM 1605 N GLU A 98 -0.227 6.621 -8.177 1.00 0.00 N ATOM 1606 CA GLU A 98 -0.993 6.559 -6.936 1.00 0.00 C ATOM 1607 C GLU A 98 -1.813 7.834 -6.750 1.00 0.00 C ATOM 1608 O GLU A 98 -2.973 7.783 -6.340 1.00 0.00 O ATOM 1609 CB GLU A 98 -0.058 6.341 -5.742 1.00 0.00 C ATOM 1610 CG GLU A 98 1.218 7.166 -5.803 1.00 0.00 C ATOM 1611 CD GLU A 98 1.453 7.969 -4.540 1.00 0.00 C ATOM 1612 OE1 GLU A 98 0.458 8.354 -3.892 1.00 0.00 O ATOM 1613 OE2 GLU A 98 2.630 8.212 -4.200 1.00 0.00 O ATOM 0 H GLU A 98 0.784 6.579 -8.052 1.00 0.00 H new ATOM 0 HA GLU A 98 -1.680 5.715 -6.994 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -0.593 6.584 -4.824 1.00 0.00 H new ATOM 0 HB3 GLU A 98 0.206 5.285 -5.687 1.00 0.00 H new ATOM 0 HG2 GLU A 98 2.067 6.503 -5.971 1.00 0.00 H new ATOM 0 HG3 GLU A 98 1.168 7.843 -6.656 1.00 0.00 H new ATOM 1620 N GLY A 99 -1.209 8.975 -7.074 1.00 0.00 N ATOM 1621 CA GLY A 99 -1.905 10.246 -6.959 1.00 0.00 C ATOM 1622 C GLY A 99 -1.747 10.911 -5.602 1.00 0.00 C ATOM 1623 O GLY A 99 -2.473 11.853 -5.285 1.00 0.00 O ATOM 0 H GLY A 99 -0.250 9.042 -7.414 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -1.536 10.923 -7.730 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -2.966 10.088 -7.154 1.00 0.00 H new ATOM 1627 N GLN A 100 -0.803 10.432 -4.797 1.00 0.00 N ATOM 1628 CA GLN A 100 -0.577 11.009 -3.475 1.00 0.00 C ATOM 1629 C GLN A 100 0.910 11.092 -3.148 1.00 0.00 C ATOM 1630 O GLN A 100 1.495 10.154 -2.609 1.00 0.00 O ATOM 1631 CB GLN A 100 -1.311 10.197 -2.406 1.00 0.00 C ATOM 1632 CG GLN A 100 -2.820 10.380 -2.433 1.00 0.00 C ATOM 1633 CD GLN A 100 -3.556 9.109 -2.810 1.00 0.00 C ATOM 1634 OE1 GLN A 100 -3.236 8.025 -2.322 1.00 0.00 O ATOM 1635 NE2 GLN A 100 -4.549 9.236 -3.682 1.00 0.00 N ATOM 0 H GLN A 100 -0.188 9.654 -5.033 1.00 0.00 H new ATOM 0 HA GLN A 100 -0.974 12.024 -3.484 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -1.079 9.141 -2.541 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -0.936 10.483 -1.423 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -3.159 10.714 -1.453 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -3.074 11.167 -3.143 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -4.780 10.154 -4.061 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -5.081 8.415 -3.973 1.00 0.00 H new ATOM 1644 N PRO A 101 1.537 12.236 -3.466 1.00 0.00 N ATOM 1645 CA PRO A 101 2.961 12.465 -3.204 1.00 0.00 C ATOM 1646 C PRO A 101 3.389 11.988 -1.818 1.00 0.00 C ATOM 1647 O PRO A 101 2.727 12.274 -0.820 1.00 0.00 O ATOM 1648 CB PRO A 101 3.063 13.983 -3.298 1.00 0.00 C ATOM 1649 CG PRO A 101 2.054 14.351 -4.324 1.00 0.00 C ATOM 1650 CD PRO A 101 0.904 13.408 -4.109 1.00 0.00 C ATOM 0 HA PRO A 101 3.606 11.920 -3.893 1.00 0.00 H new ATOM 0 HB2 PRO A 101 2.849 14.457 -2.340 1.00 0.00 H new ATOM 0 HB3 PRO A 101 4.064 14.298 -3.593 1.00 0.00 H new ATOM 0 HG2 PRO A 101 1.738 15.388 -4.210 1.00 0.00 H new ATOM 0 HG3 PRO A 101 2.462 14.250 -5.330 1.00 0.00 H new ATOM 0 HD2 PRO A 101 0.136 13.849 -3.473 1.00 0.00 H new ATOM 0 HD3 PRO A 101 0.423 13.139 -5.050 1.00 0.00 H new ATOM 1658 N GLY A 102 4.499 11.258 -1.765 1.00 0.00 N ATOM 1659 CA GLY A 102 4.996 10.751 -0.497 1.00 0.00 C ATOM 1660 C GLY A 102 6.490 10.958 -0.324 1.00 0.00 C ATOM 1661 O GLY A 102 7.165 11.456 -1.226 1.00 0.00 O ATOM 0 H GLY A 102 5.064 11.008 -2.577 1.00 0.00 H new ATOM 0 HA2 GLY A 102 4.469 11.246 0.318 1.00 0.00 H new ATOM 0 HA3 GLY A 102 4.771 9.687 -0.423 1.00 0.00 H new ATOM 1665 N GLU A 103 7.006 10.572 0.840 1.00 0.00 N ATOM 1666 CA GLU A 103 8.429 10.710 1.139 1.00 0.00 C ATOM 1667 C GLU A 103 8.974 9.428 1.764 1.00 0.00 C ATOM 1668 O GLU A 103 8.220 8.635 2.327 1.00 0.00 O ATOM 1669 CB GLU A 103 8.661 11.891 2.084 1.00 0.00 C ATOM 1670 CG GLU A 103 8.003 11.723 3.443 1.00 0.00 C ATOM 1671 CD GLU A 103 6.583 12.252 3.473 1.00 0.00 C ATOM 1672 OE1 GLU A 103 6.293 13.216 2.734 1.00 0.00 O ATOM 1673 OE2 GLU A 103 5.760 11.702 4.236 1.00 0.00 O ATOM 0 H GLU A 103 6.457 10.160 1.595 1.00 0.00 H new ATOM 0 HA GLU A 103 8.958 10.895 0.204 1.00 0.00 H new ATOM 0 HB2 GLU A 103 9.733 12.028 2.224 1.00 0.00 H new ATOM 0 HB3 GLU A 103 8.282 12.799 1.616 1.00 0.00 H new ATOM 0 HG2 GLU A 103 7.999 10.667 3.712 1.00 0.00 H new ATOM 0 HG3 GLU A 103 8.596 12.242 4.196 1.00 0.00 H new ATOM 1680 N TRP A 104 10.286 9.225 1.661 1.00 0.00 N ATOM 1681 CA TRP A 104 10.912 8.029 2.221 1.00 0.00 C ATOM 1682 C TRP A 104 10.898 8.088 3.746 1.00 0.00 C ATOM 1683 O TRP A 104 11.647 8.852 4.355 1.00 0.00 O ATOM 1684 CB TRP A 104 12.358 7.876 1.716 1.00 0.00 C ATOM 1685 CG TRP A 104 12.585 8.429 0.339 1.00 0.00 C ATOM 1686 CD1 TRP A 104 11.670 8.520 -0.671 1.00 0.00 C ATOM 1687 CD2 TRP A 104 13.808 8.966 -0.178 1.00 0.00 C ATOM 1688 NE1 TRP A 104 12.250 9.081 -1.784 1.00 0.00 N ATOM 1689 CE2 TRP A 104 13.562 9.363 -1.506 1.00 0.00 C ATOM 1690 CE3 TRP A 104 15.088 9.150 0.354 1.00 0.00 C ATOM 1691 CZ2 TRP A 104 14.547 9.933 -2.308 1.00 0.00 C ATOM 1692 CZ3 TRP A 104 16.065 9.715 -0.443 1.00 0.00 C ATOM 1693 CH2 TRP A 104 15.790 10.101 -1.761 1.00 0.00 C ATOM 0 H TRP A 104 10.931 9.866 1.200 1.00 0.00 H new ATOM 0 HA TRP A 104 10.338 7.163 1.892 1.00 0.00 H new ATOM 0 HB2 TRP A 104 13.030 8.376 2.413 1.00 0.00 H new ATOM 0 HB3 TRP A 104 12.624 6.819 1.720 1.00 0.00 H new ATOM 0 HD1 TRP A 104 10.641 8.198 -0.605 1.00 0.00 H new ATOM 0 HE1 TRP A 104 11.780 9.258 -2.672 1.00 0.00 H new ATOM 0 HE3 TRP A 104 15.309 8.856 1.369 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 14.338 10.232 -3.325 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 17.057 9.861 -0.043 1.00 0.00 H new ATOM 0 HH2 TRP A 104 16.575 10.540 -2.358 1.00 0.00 H new ATOM 1704 N MET A 105 10.039 7.276 4.358 1.00 0.00 N ATOM 1705 CA MET A 105 9.924 7.237 5.813 1.00 0.00 C ATOM 1706 C MET A 105 10.239 5.847 6.353 1.00 0.00 C ATOM 1707 O MET A 105 9.959 4.842 5.704 1.00 0.00 O ATOM 1708 CB MET A 105 8.519 7.658 6.246 1.00 0.00 C ATOM 1709 CG MET A 105 7.425 6.724 5.755 1.00 0.00 C ATOM 1710 SD MET A 105 5.980 6.719 6.834 1.00 0.00 S ATOM 1711 CE MET A 105 5.770 8.473 7.128 1.00 0.00 C ATOM 0 H MET A 105 9.413 6.637 3.869 1.00 0.00 H new ATOM 0 HA MET A 105 10.651 7.937 6.225 1.00 0.00 H new ATOM 0 HB2 MET A 105 8.483 7.706 7.334 1.00 0.00 H new ATOM 0 HB3 MET A 105 8.320 8.664 5.876 1.00 0.00 H new ATOM 0 HG2 MET A 105 7.123 7.021 4.751 1.00 0.00 H new ATOM 0 HG3 MET A 105 7.823 5.712 5.682 1.00 0.00 H new ATOM 0 HE1 MET A 105 4.871 8.637 7.723 1.00 0.00 H new ATOM 0 HE2 MET A 105 6.636 8.858 7.666 1.00 0.00 H new ATOM 0 HE3 MET A 105 5.674 8.993 6.175 1.00 0.00 H new ATOM 1721 N SER A 106 10.816 5.796 7.549 1.00 0.00 N ATOM 1722 CA SER A 106 11.158 4.524 8.173 1.00 0.00 C ATOM 1723 C SER A 106 9.898 3.738 8.523 1.00 0.00 C ATOM 1724 O SER A 106 9.106 4.161 9.365 1.00 0.00 O ATOM 1725 CB SER A 106 11.993 4.759 9.434 1.00 0.00 C ATOM 1726 OG SER A 106 12.069 3.583 10.222 1.00 0.00 O ATOM 0 H SER A 106 11.056 6.618 8.104 1.00 0.00 H new ATOM 0 HA SER A 106 11.744 3.942 7.461 1.00 0.00 H new ATOM 0 HB2 SER A 106 12.997 5.079 9.155 1.00 0.00 H new ATOM 0 HB3 SER A 106 11.553 5.566 10.020 1.00 0.00 H new ATOM 0 HG SER A 106 12.609 3.759 11.021 1.00 0.00 H new ATOM 1732 N LEU A 107 9.717 2.593 7.871 1.00 0.00 N ATOM 1733 CA LEU A 107 8.550 1.753 8.117 1.00 0.00 C ATOM 1734 C LEU A 107 8.636 1.090 9.486 1.00 0.00 C ATOM 1735 O LEU A 107 7.616 0.799 10.110 1.00 0.00 O ATOM 1736 CB LEU A 107 8.419 0.686 7.030 1.00 0.00 C ATOM 1737 CG LEU A 107 6.986 0.237 6.736 1.00 0.00 C ATOM 1738 CD1 LEU A 107 6.371 -0.417 7.963 1.00 0.00 C ATOM 1739 CD2 LEU A 107 6.142 1.418 6.280 1.00 0.00 C ATOM 0 H LEU A 107 10.362 2.227 7.170 1.00 0.00 H new ATOM 0 HA LEU A 107 7.667 2.392 8.095 1.00 0.00 H new ATOM 0 HB2 LEU A 107 8.860 1.070 6.110 1.00 0.00 H new ATOM 0 HB3 LEU A 107 9.004 -0.185 7.324 1.00 0.00 H new ATOM 0 HG LEU A 107 7.012 -0.498 5.932 1.00 0.00 H new ATOM 0 HD11 LEU A 107 5.352 -0.730 7.736 1.00 0.00 H new ATOM 0 HD12 LEU A 107 6.963 -1.287 8.247 1.00 0.00 H new ATOM 0 HD13 LEU A 107 6.356 0.297 8.787 1.00 0.00 H new ATOM 0 HD21 LEU A 107 5.126 1.081 6.075 1.00 0.00 H new ATOM 0 HD22 LEU A 107 6.122 2.175 7.064 1.00 0.00 H new ATOM 0 HD23 LEU A 107 6.573 1.845 5.374 1.00 0.00 H new ATOM 1751 N VAL A 108 9.860 0.858 9.952 1.00 0.00 N ATOM 1752 CA VAL A 108 10.077 0.233 11.252 1.00 0.00 C ATOM 1753 C VAL A 108 9.323 0.977 12.351 1.00 0.00 C ATOM 1754 O VAL A 108 9.004 0.406 13.394 1.00 0.00 O ATOM 1755 CB VAL A 108 11.574 0.191 11.612 1.00 0.00 C ATOM 1756 CG1 VAL A 108 11.799 -0.637 12.868 1.00 0.00 C ATOM 1757 CG2 VAL A 108 12.387 -0.358 10.450 1.00 0.00 C ATOM 0 H VAL A 108 10.716 1.093 9.449 1.00 0.00 H new ATOM 0 HA VAL A 108 9.699 -0.787 11.180 1.00 0.00 H new ATOM 0 HB VAL A 108 11.909 1.209 11.811 1.00 0.00 H new ATOM 0 HG11 VAL A 108 12.862 -0.655 13.106 1.00 0.00 H new ATOM 0 HG12 VAL A 108 11.248 -0.195 13.699 1.00 0.00 H new ATOM 0 HG13 VAL A 108 11.448 -1.655 12.700 1.00 0.00 H new ATOM 0 HG21 VAL A 108 13.442 -0.380 10.723 1.00 0.00 H new ATOM 0 HG22 VAL A 108 12.051 -1.368 10.216 1.00 0.00 H new ATOM 0 HG23 VAL A 108 12.251 0.281 9.577 1.00 0.00 H new ATOM 1767 N GLY A 109 9.037 2.253 12.107 1.00 0.00 N ATOM 1768 CA GLY A 109 8.321 3.053 13.080 1.00 0.00 C ATOM 1769 C GLY A 109 7.053 3.658 12.510 1.00 0.00 C ATOM 1770 O GLY A 109 6.744 4.822 12.765 1.00 0.00 O ATOM 0 H GLY A 109 9.290 2.746 11.251 1.00 0.00 H new ATOM 0 HA2 GLY A 109 8.070 2.434 13.941 1.00 0.00 H new ATOM 0 HA3 GLY A 109 8.971 3.851 13.440 1.00 0.00 H new ATOM 1774 N LEU A 110 6.314 2.864 11.741 1.00 0.00 N ATOM 1775 CA LEU A 110 5.068 3.328 11.139 1.00 0.00 C ATOM 1776 C LEU A 110 4.062 3.692 12.225 1.00 0.00 C ATOM 1777 O LEU A 110 4.093 3.129 13.319 1.00 0.00 O ATOM 1778 CB LEU A 110 4.489 2.251 10.220 1.00 0.00 C ATOM 1779 CG LEU A 110 3.267 2.682 9.408 1.00 0.00 C ATOM 1780 CD1 LEU A 110 3.187 1.897 8.108 1.00 0.00 C ATOM 1781 CD2 LEU A 110 1.997 2.500 10.226 1.00 0.00 C ATOM 0 H LEU A 110 6.556 1.898 11.520 1.00 0.00 H new ATOM 0 HA LEU A 110 5.278 4.217 10.544 1.00 0.00 H new ATOM 0 HB2 LEU A 110 5.268 1.926 9.531 1.00 0.00 H new ATOM 0 HB3 LEU A 110 4.218 1.386 10.825 1.00 0.00 H new ATOM 0 HG LEU A 110 3.369 3.739 9.162 1.00 0.00 H new ATOM 0 HD11 LEU A 110 2.311 2.217 7.543 1.00 0.00 H new ATOM 0 HD12 LEU A 110 4.085 2.078 7.518 1.00 0.00 H new ATOM 0 HD13 LEU A 110 3.107 0.833 8.330 1.00 0.00 H new ATOM 0 HD21 LEU A 110 1.136 2.811 9.635 1.00 0.00 H new ATOM 0 HD22 LEU A 110 1.889 1.451 10.501 1.00 0.00 H new ATOM 0 HD23 LEU A 110 2.056 3.108 11.129 1.00 0.00 H new ATOM 1793 N ASN A 111 3.184 4.648 11.933 1.00 0.00 N ATOM 1794 CA ASN A 111 2.197 5.086 12.913 1.00 0.00 C ATOM 1795 C ASN A 111 0.768 4.800 12.474 1.00 0.00 C ATOM 1796 O ASN A 111 0.345 5.186 11.384 1.00 0.00 O ATOM 1797 CB ASN A 111 2.368 6.578 13.201 1.00 0.00 C ATOM 1798 CG ASN A 111 2.779 6.848 14.635 1.00 0.00 C ATOM 1799 OD1 ASN A 111 2.183 6.319 15.574 1.00 0.00 O ATOM 1800 ND2 ASN A 111 3.802 7.675 14.812 1.00 0.00 N ATOM 0 H ASN A 111 3.136 5.129 11.035 1.00 0.00 H new ATOM 0 HA ASN A 111 2.374 4.512 13.822 1.00 0.00 H new ATOM 0 HB2 ASN A 111 3.118 6.991 12.527 1.00 0.00 H new ATOM 0 HB3 ASN A 111 1.432 7.095 12.991 1.00 0.00 H new ATOM 0 HD21 ASN A 111 4.123 7.894 15.755 1.00 0.00 H new ATOM 0 HD22 ASN A 111 4.267 8.091 14.005 1.00 0.00 H new ATOM 1807 N ALA A 112 0.025 4.138 13.356 1.00 0.00 N ATOM 1808 CA ALA A 112 -1.369 3.811 13.100 1.00 0.00 C ATOM 1809 C ALA A 112 -2.239 5.069 13.181 1.00 0.00 C ATOM 1810 O ALA A 112 -3.394 5.067 12.754 1.00 0.00 O ATOM 1811 CB ALA A 112 -1.863 2.759 14.086 1.00 0.00 C ATOM 0 H ALA A 112 0.371 3.817 14.260 1.00 0.00 H new ATOM 0 HA ALA A 112 -1.445 3.402 12.093 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -2.908 2.528 13.878 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -1.264 1.854 13.983 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -1.771 3.142 15.103 1.00 0.00 H new ATOM 1817 N ASP A 113 -1.683 6.138 13.754 1.00 0.00 N ATOM 1818 CA ASP A 113 -2.411 7.395 13.904 1.00 0.00 C ATOM 1819 C ASP A 113 -2.451 8.188 12.595 1.00 0.00 C ATOM 1820 O ASP A 113 -3.513 8.644 12.174 1.00 0.00 O ATOM 1821 CB ASP A 113 -1.772 8.244 15.004 1.00 0.00 C ATOM 1822 CG ASP A 113 -2.632 9.432 15.390 1.00 0.00 C ATOM 1823 OD1 ASP A 113 -2.561 10.468 14.696 1.00 0.00 O ATOM 1824 OD2 ASP A 113 -3.377 9.326 16.387 1.00 0.00 O ATOM 0 H ASP A 113 -0.731 6.156 14.121 1.00 0.00 H new ATOM 0 HA ASP A 113 -3.437 7.150 14.179 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -1.598 7.624 15.883 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -0.798 8.598 14.666 1.00 0.00 H new ATOM 1829 N ASP A 114 -1.293 8.358 11.959 1.00 0.00 N ATOM 1830 CA ASP A 114 -1.217 9.108 10.704 1.00 0.00 C ATOM 1831 C ASP A 114 -1.948 8.374 9.587 1.00 0.00 C ATOM 1832 O ASP A 114 -2.617 8.990 8.759 1.00 0.00 O ATOM 1833 CB ASP A 114 0.239 9.373 10.282 1.00 0.00 C ATOM 1834 CG ASP A 114 1.270 8.721 11.186 1.00 0.00 C ATOM 1835 OD1 ASP A 114 1.460 9.212 12.319 1.00 0.00 O ATOM 1836 OD2 ASP A 114 1.886 7.722 10.759 1.00 0.00 O ATOM 0 H ASP A 114 -0.400 7.990 12.288 1.00 0.00 H new ATOM 0 HA ASP A 114 -1.701 10.069 10.880 1.00 0.00 H new ATOM 0 HB2 ASP A 114 0.383 9.012 9.264 1.00 0.00 H new ATOM 0 HB3 ASP A 114 0.412 10.449 10.267 1.00 0.00 H new ATOM 1841 N PHE A 115 -1.819 7.054 9.574 1.00 0.00 N ATOM 1842 CA PHE A 115 -2.470 6.232 8.564 1.00 0.00 C ATOM 1843 C PHE A 115 -3.951 6.046 8.915 1.00 0.00 C ATOM 1844 O PHE A 115 -4.389 6.447 9.993 1.00 0.00 O ATOM 1845 CB PHE A 115 -1.739 4.881 8.454 1.00 0.00 C ATOM 1846 CG PHE A 115 -2.466 3.731 9.079 1.00 0.00 C ATOM 1847 CD1 PHE A 115 -2.937 3.832 10.368 1.00 0.00 C ATOM 1848 CD2 PHE A 115 -2.670 2.555 8.381 1.00 0.00 C ATOM 1849 CE1 PHE A 115 -3.602 2.785 10.963 1.00 0.00 C ATOM 1850 CE2 PHE A 115 -3.336 1.501 8.967 1.00 0.00 C ATOM 1851 CZ PHE A 115 -3.802 1.617 10.262 1.00 0.00 C ATOM 0 H PHE A 115 -1.268 6.529 10.253 1.00 0.00 H new ATOM 0 HA PHE A 115 -2.420 6.727 7.594 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -1.569 4.658 7.401 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -0.759 4.973 8.922 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -2.782 4.747 10.921 1.00 0.00 H new ATOM 0 HD2 PHE A 115 -2.305 2.462 7.369 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -3.966 2.879 11.976 1.00 0.00 H new ATOM 0 HE2 PHE A 115 -3.493 0.586 8.415 1.00 0.00 H new ATOM 0 HZ PHE A 115 -4.323 0.792 10.725 1.00 0.00 H new ATOM 1861 N PRO A 116 -4.746 5.432 8.019 1.00 0.00 N ATOM 1862 CA PRO A 116 -6.175 5.206 8.270 1.00 0.00 C ATOM 1863 C PRO A 116 -6.406 4.233 9.428 1.00 0.00 C ATOM 1864 O PRO A 116 -5.848 3.138 9.443 1.00 0.00 O ATOM 1865 CB PRO A 116 -6.683 4.606 6.955 1.00 0.00 C ATOM 1866 CG PRO A 116 -5.474 4.033 6.300 1.00 0.00 C ATOM 1867 CD PRO A 116 -4.325 4.913 6.706 1.00 0.00 C ATOM 0 HA PRO A 116 -6.690 6.123 8.556 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -7.435 3.838 7.136 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -7.149 5.366 6.328 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -5.309 3.004 6.619 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -5.589 4.016 5.216 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -3.393 4.352 6.775 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -4.161 5.717 5.989 1.00 0.00 H new ATOM 1875 N PRO A 117 -7.230 4.620 10.420 1.00 0.00 N ATOM 1876 CA PRO A 117 -7.518 3.772 11.586 1.00 0.00 C ATOM 1877 C PRO A 117 -8.296 2.509 11.226 1.00 0.00 C ATOM 1878 O PRO A 117 -8.287 1.531 11.973 1.00 0.00 O ATOM 1879 CB PRO A 117 -8.362 4.677 12.490 1.00 0.00 C ATOM 1880 CG PRO A 117 -8.958 5.686 11.571 1.00 0.00 C ATOM 1881 CD PRO A 117 -7.938 5.912 10.491 1.00 0.00 C ATOM 0 HA PRO A 117 -6.601 3.411 12.052 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -9.135 4.109 13.008 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -7.749 5.153 13.256 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -9.898 5.326 11.152 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -9.179 6.613 12.100 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -8.407 6.167 9.541 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -7.261 6.729 10.741 1.00 0.00 H new ATOM 1889 N ALA A 118 -8.971 2.535 10.082 1.00 0.00 N ATOM 1890 CA ALA A 118 -9.756 1.390 9.630 1.00 0.00 C ATOM 1891 C ALA A 118 -8.867 0.227 9.197 1.00 0.00 C ATOM 1892 O ALA A 118 -9.354 -0.873 8.940 1.00 0.00 O ATOM 1893 CB ALA A 118 -10.679 1.801 8.493 1.00 0.00 C ATOM 0 H ALA A 118 -8.991 3.336 9.450 1.00 0.00 H new ATOM 0 HA ALA A 118 -10.356 1.048 10.473 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -11.259 0.938 8.165 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -11.356 2.583 8.838 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -10.085 2.177 7.660 1.00 0.00 H new ATOM 1899 N ASN A 119 -7.568 0.479 9.102 1.00 0.00 N ATOM 1900 CA ASN A 119 -6.620 -0.544 8.682 1.00 0.00 C ATOM 1901 C ASN A 119 -5.592 -0.828 9.778 1.00 0.00 C ATOM 1902 O ASN A 119 -4.427 -1.105 9.491 1.00 0.00 O ATOM 1903 CB ASN A 119 -5.923 -0.074 7.405 1.00 0.00 C ATOM 1904 CG ASN A 119 -6.450 -0.772 6.168 1.00 0.00 C ATOM 1905 OD1 ASN A 119 -5.688 -1.347 5.392 1.00 0.00 O ATOM 1906 ND2 ASN A 119 -7.764 -0.719 5.976 1.00 0.00 N ATOM 0 H ASN A 119 -7.147 1.384 9.310 1.00 0.00 H new ATOM 0 HA ASN A 119 -7.158 -1.473 8.491 1.00 0.00 H new ATOM 0 HB2 ASN A 119 -6.057 1.002 7.296 1.00 0.00 H new ATOM 0 HB3 ASN A 119 -4.852 -0.254 7.492 1.00 0.00 H new ATOM 0 HD21 ASN A 119 -8.178 -1.167 5.158 1.00 0.00 H new ATOM 0 HD22 ASN A 119 -8.358 -0.231 6.646 1.00 0.00 H new ATOM 1913 N GLU A 120 -6.026 -0.742 11.034 1.00 0.00 N ATOM 1914 CA GLU A 120 -5.137 -0.971 12.175 1.00 0.00 C ATOM 1915 C GLU A 120 -4.825 -2.455 12.384 1.00 0.00 C ATOM 1916 O GLU A 120 -3.677 -2.812 12.636 1.00 0.00 O ATOM 1917 CB GLU A 120 -5.741 -0.374 13.449 1.00 0.00 C ATOM 1918 CG GLU A 120 -4.898 0.735 14.056 1.00 0.00 C ATOM 1919 CD GLU A 120 -5.136 0.899 15.545 1.00 0.00 C ATOM 1920 OE1 GLU A 120 -5.626 -0.060 16.177 1.00 0.00 O ATOM 1921 OE2 GLU A 120 -4.833 1.987 16.078 1.00 0.00 O ATOM 0 H GLU A 120 -6.987 -0.516 11.289 1.00 0.00 H new ATOM 0 HA GLU A 120 -4.195 -0.471 11.951 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -6.733 0.017 13.223 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -5.871 -1.166 14.186 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -3.843 0.522 13.882 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -5.121 1.674 13.550 1.00 0.00 H new ATOM 1928 N PRO A 121 -5.829 -3.345 12.292 1.00 0.00 N ATOM 1929 CA PRO A 121 -5.618 -4.784 12.486 1.00 0.00 C ATOM 1930 C PRO A 121 -4.379 -5.298 11.757 1.00 0.00 C ATOM 1931 O PRO A 121 -3.698 -6.208 12.232 1.00 0.00 O ATOM 1932 CB PRO A 121 -6.886 -5.399 11.899 1.00 0.00 C ATOM 1933 CG PRO A 121 -7.935 -4.364 12.118 1.00 0.00 C ATOM 1934 CD PRO A 121 -7.242 -3.030 12.002 1.00 0.00 C ATOM 0 HA PRO A 121 -5.447 -5.038 13.532 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -6.765 -5.624 10.839 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -7.141 -6.335 12.396 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -8.731 -4.454 11.379 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -8.396 -4.479 13.099 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -7.361 -2.602 11.007 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -7.645 -2.306 12.711 1.00 0.00 H new ATOM 1942 N VAL A 122 -4.086 -4.699 10.610 1.00 0.00 N ATOM 1943 CA VAL A 122 -2.924 -5.079 9.819 1.00 0.00 C ATOM 1944 C VAL A 122 -1.656 -4.495 10.424 1.00 0.00 C ATOM 1945 O VAL A 122 -0.677 -5.205 10.654 1.00 0.00 O ATOM 1946 CB VAL A 122 -3.053 -4.598 8.361 1.00 0.00 C ATOM 1947 CG1 VAL A 122 -1.861 -5.055 7.534 1.00 0.00 C ATOM 1948 CG2 VAL A 122 -4.353 -5.096 7.751 1.00 0.00 C ATOM 0 H VAL A 122 -4.640 -3.944 10.206 1.00 0.00 H new ATOM 0 HA VAL A 122 -2.869 -6.168 9.825 1.00 0.00 H new ATOM 0 HB VAL A 122 -3.067 -3.508 8.360 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -1.974 -4.704 6.508 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -0.945 -4.645 7.959 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -1.809 -6.144 7.541 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -4.429 -4.747 6.721 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -4.369 -6.186 7.767 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -5.195 -4.712 8.327 1.00 0.00 H new ATOM 1958 N ILE A 123 -1.686 -3.192 10.680 1.00 0.00 N ATOM 1959 CA ILE A 123 -0.543 -2.505 11.260 1.00 0.00 C ATOM 1960 C ILE A 123 -0.282 -2.985 12.680 1.00 0.00 C ATOM 1961 O ILE A 123 0.853 -2.997 13.135 1.00 0.00 O ATOM 1962 CB ILE A 123 -0.744 -0.979 11.279 1.00 0.00 C ATOM 1963 CG1 ILE A 123 -1.039 -0.461 9.872 1.00 0.00 C ATOM 1964 CG2 ILE A 123 0.487 -0.293 11.849 1.00 0.00 C ATOM 1965 CD1 ILE A 123 0.185 -0.388 8.985 1.00 0.00 C ATOM 0 H ILE A 123 -2.490 -2.592 10.494 1.00 0.00 H new ATOM 0 HA ILE A 123 0.315 -2.739 10.630 1.00 0.00 H new ATOM 0 HB ILE A 123 -1.598 -0.749 11.917 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -1.779 -1.109 9.403 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -1.484 0.531 9.945 1.00 0.00 H new ATOM 0 HG21 ILE A 123 0.332 0.786 11.857 1.00 0.00 H new ATOM 0 HG22 ILE A 123 0.659 -0.642 12.867 1.00 0.00 H new ATOM 0 HG23 ILE A 123 1.354 -0.530 11.232 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -0.100 -0.012 8.002 1.00 0.00 H new ATOM 0 HD12 ILE A 123 0.919 0.283 9.432 1.00 0.00 H new ATOM 0 HD13 ILE A 123 0.619 -1.382 8.881 1.00 0.00 H new ATOM 1977 N ALA A 124 -1.335 -3.386 13.379 1.00 0.00 N ATOM 1978 CA ALA A 124 -1.191 -3.867 14.746 1.00 0.00 C ATOM 1979 C ALA A 124 -0.175 -5.002 14.808 1.00 0.00 C ATOM 1980 O ALA A 124 0.466 -5.222 15.835 1.00 0.00 O ATOM 1981 CB ALA A 124 -2.535 -4.325 15.292 1.00 0.00 C ATOM 0 H ALA A 124 -2.292 -3.388 13.025 1.00 0.00 H new ATOM 0 HA ALA A 124 -0.828 -3.046 15.365 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -2.410 -4.682 16.314 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -3.235 -3.490 15.282 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -2.924 -5.132 14.671 1.00 0.00 H new ATOM 1987 N LYS A 125 -0.034 -5.719 13.696 1.00 0.00 N ATOM 1988 CA LYS A 125 0.906 -6.833 13.620 1.00 0.00 C ATOM 1989 C LYS A 125 2.339 -6.349 13.383 1.00 0.00 C ATOM 1990 O LYS A 125 3.261 -6.742 14.098 1.00 0.00 O ATOM 1991 CB LYS A 125 0.493 -7.797 12.507 1.00 0.00 C ATOM 1992 CG LYS A 125 0.926 -9.233 12.754 1.00 0.00 C ATOM 1993 CD LYS A 125 -0.022 -10.222 12.095 1.00 0.00 C ATOM 1994 CE LYS A 125 -1.280 -10.423 12.924 1.00 0.00 C ATOM 1995 NZ LYS A 125 -1.203 -11.652 13.762 1.00 0.00 N ATOM 0 H LYS A 125 -0.558 -5.549 12.837 1.00 0.00 H new ATOM 0 HA LYS A 125 0.881 -7.351 14.579 1.00 0.00 H new ATOM 0 HB2 LYS A 125 -0.591 -7.767 12.396 1.00 0.00 H new ATOM 0 HB3 LYS A 125 0.920 -7.455 11.564 1.00 0.00 H new ATOM 0 HG2 LYS A 125 1.934 -9.382 12.368 1.00 0.00 H new ATOM 0 HG3 LYS A 125 0.964 -9.423 13.827 1.00 0.00 H new ATOM 0 HD2 LYS A 125 -0.293 -9.862 11.102 1.00 0.00 H new ATOM 0 HD3 LYS A 125 0.483 -11.178 11.961 1.00 0.00 H new ATOM 0 HE2 LYS A 125 -1.434 -9.555 13.566 1.00 0.00 H new ATOM 0 HE3 LYS A 125 -2.144 -10.488 12.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 -2.080 -11.753 14.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 -1.081 -12.483 13.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 -0.394 -11.579 14.411 1.00 0.00 H new ATOM 2009 N LEU A 126 2.523 -5.507 12.368 1.00 0.00 N ATOM 2010 CA LEU A 126 3.847 -4.986 12.028 1.00 0.00 C ATOM 2011 C LEU A 126 4.269 -3.864 12.973 1.00 0.00 C ATOM 2012 O LEU A 126 5.448 -3.721 13.295 1.00 0.00 O ATOM 2013 CB LEU A 126 3.859 -4.475 10.587 1.00 0.00 C ATOM 2014 CG LEU A 126 5.246 -4.373 9.948 1.00 0.00 C ATOM 2015 CD1 LEU A 126 5.986 -5.698 10.062 1.00 0.00 C ATOM 2016 CD2 LEU A 126 5.133 -3.944 8.491 1.00 0.00 C ATOM 0 H LEU A 126 1.772 -5.170 11.766 1.00 0.00 H new ATOM 0 HA LEU A 126 4.559 -5.804 12.132 1.00 0.00 H new ATOM 0 HB2 LEU A 126 3.243 -5.136 9.978 1.00 0.00 H new ATOM 0 HB3 LEU A 126 3.391 -3.491 10.563 1.00 0.00 H new ATOM 0 HG LEU A 126 5.817 -3.615 10.485 1.00 0.00 H new ATOM 0 HD11 LEU A 126 6.970 -5.606 9.602 1.00 0.00 H new ATOM 0 HD12 LEU A 126 6.100 -5.962 11.113 1.00 0.00 H new ATOM 0 HD13 LEU A 126 5.419 -6.477 9.552 1.00 0.00 H new ATOM 0 HD21 LEU A 126 6.129 -3.877 8.053 1.00 0.00 H new ATOM 0 HD22 LEU A 126 4.543 -4.677 7.941 1.00 0.00 H new ATOM 0 HD23 LEU A 126 4.646 -2.971 8.435 1.00 0.00 H new ATOM 2028 N LYS A 127 3.300 -3.070 13.408 1.00 0.00 N ATOM 2029 CA LYS A 127 3.557 -1.954 14.313 1.00 0.00 C ATOM 2030 C LYS A 127 4.319 -2.412 15.545 1.00 0.00 C ATOM 2031 O LYS A 127 5.262 -1.758 15.988 1.00 0.00 O ATOM 2032 CB LYS A 127 2.242 -1.328 14.741 1.00 0.00 C ATOM 2033 CG LYS A 127 2.407 -0.081 15.590 1.00 0.00 C ATOM 2034 CD LYS A 127 1.150 0.774 15.575 1.00 0.00 C ATOM 2035 CE LYS A 127 1.084 1.688 16.788 1.00 0.00 C ATOM 2036 NZ LYS A 127 2.298 2.542 16.907 1.00 0.00 N ATOM 0 H LYS A 127 2.320 -3.178 13.147 1.00 0.00 H new ATOM 0 HA LYS A 127 4.164 -1.220 13.782 1.00 0.00 H new ATOM 0 HB2 LYS A 127 1.663 -1.078 13.852 1.00 0.00 H new ATOM 0 HB3 LYS A 127 1.665 -2.064 15.301 1.00 0.00 H new ATOM 0 HG2 LYS A 127 2.642 -0.366 16.615 1.00 0.00 H new ATOM 0 HG3 LYS A 127 3.250 0.503 15.221 1.00 0.00 H new ATOM 0 HD2 LYS A 127 1.127 1.373 14.665 1.00 0.00 H new ATOM 0 HD3 LYS A 127 0.271 0.130 15.555 1.00 0.00 H new ATOM 0 HE2 LYS A 127 0.200 2.322 16.717 1.00 0.00 H new ATOM 0 HE3 LYS A 127 0.974 1.086 17.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 2.132 3.285 17.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 3.106 1.957 17.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 2.505 2.981 15.987 1.00 0.00 H new ATOM 2050 N ARG A 128 3.910 -3.554 16.082 1.00 0.00 N ATOM 2051 CA ARG A 128 4.562 -4.118 17.251 1.00 0.00 C ATOM 2052 C ARG A 128 5.924 -4.689 16.866 1.00 0.00 C ATOM 2053 O ARG A 128 6.684 -5.145 17.720 1.00 0.00 O ATOM 2054 CB ARG A 128 3.686 -5.209 17.869 1.00 0.00 C ATOM 2055 CG ARG A 128 4.157 -5.669 19.239 1.00 0.00 C ATOM 2056 CD ARG A 128 3.954 -7.164 19.426 1.00 0.00 C ATOM 2057 NE ARG A 128 2.640 -7.472 19.984 1.00 0.00 N ATOM 2058 CZ ARG A 128 2.247 -7.108 21.203 1.00 0.00 C ATOM 2059 NH1 ARG A 128 3.064 -6.424 21.994 1.00 0.00 N ATOM 2060 NH2 ARG A 128 1.034 -7.428 21.632 1.00 0.00 N ATOM 0 H ARG A 128 3.130 -4.106 15.725 1.00 0.00 H new ATOM 0 HA ARG A 128 4.708 -3.329 17.988 1.00 0.00 H new ATOM 0 HB2 ARG A 128 2.664 -4.839 17.952 1.00 0.00 H new ATOM 0 HB3 ARG A 128 3.661 -6.067 17.197 1.00 0.00 H new ATOM 0 HG2 ARG A 128 5.212 -5.426 19.362 1.00 0.00 H new ATOM 0 HG3 ARG A 128 3.613 -5.127 20.013 1.00 0.00 H new ATOM 0 HD2 ARG A 128 4.068 -7.668 18.466 1.00 0.00 H new ATOM 0 HD3 ARG A 128 4.729 -7.555 20.085 1.00 0.00 H new ATOM 0 HE ARG A 128 1.984 -7.997 19.406 1.00 0.00 H new ATOM 0 HH11 ARG A 128 3.998 -6.175 21.669 1.00 0.00 H new ATOM 0 HH12 ARG A 128 2.758 -6.148 22.927 1.00 0.00 H new ATOM 0 HH21 ARG A 128 0.402 -7.953 21.028 1.00 0.00 H new ATOM 0 HH22 ARG A 128 0.733 -7.149 22.566 1.00 0.00 H new ATOM 2074 N LEU A 129 6.227 -4.654 15.567 1.00 0.00 N ATOM 2075 CA LEU A 129 7.498 -5.163 15.063 1.00 0.00 C ATOM 2076 C LEU A 129 7.710 -6.615 15.479 1.00 0.00 C ATOM 2077 O LEU A 129 6.753 -7.372 15.641 1.00 0.00 O ATOM 2078 CB LEU A 129 8.652 -4.299 15.574 1.00 0.00 C ATOM 2079 CG LEU A 129 8.587 -2.824 15.167 1.00 0.00 C ATOM 2080 CD1 LEU A 129 7.974 -1.990 16.281 1.00 0.00 C ATOM 2081 CD2 LEU A 129 9.972 -2.305 14.812 1.00 0.00 C ATOM 0 H LEU A 129 5.609 -4.278 14.848 1.00 0.00 H new ATOM 0 HA LEU A 129 7.472 -5.119 13.974 1.00 0.00 H new ATOM 0 HB2 LEU A 129 8.677 -4.359 16.662 1.00 0.00 H new ATOM 0 HB3 LEU A 129 9.589 -4.720 15.210 1.00 0.00 H new ATOM 0 HG LEU A 129 7.953 -2.739 14.285 1.00 0.00 H new ATOM 0 HD11 LEU A 129 7.936 -0.945 15.974 1.00 0.00 H new ATOM 0 HD12 LEU A 129 6.964 -2.345 16.487 1.00 0.00 H new ATOM 0 HD13 LEU A 129 8.582 -2.082 17.181 1.00 0.00 H new ATOM 0 HD21 LEU A 129 9.905 -1.255 14.526 1.00 0.00 H new ATOM 0 HD22 LEU A 129 10.630 -2.404 15.675 1.00 0.00 H new ATOM 0 HD23 LEU A 129 10.375 -2.883 13.980 1.00 0.00 H new