USER MOD reduce.3.24.130724 H: found=0, std=0, add=816, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 780 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: O 2 HIS : no HE2:sc= -0.292 K(o=-3,f=-3.6) USER MOD Set 1.2: O 4 HIS : no HD1:sc= -0.243 K(o=-3,f=-3.9) USER MOD Set 1.3: Q 2 HIS : no HD1:sc= -1.63 K(o=-3,f=-4.9!) USER MOD Set 1.4: Q 4 HIS : no HE2:sc= 0.0331 K(o=-3,f=-3.9) USER MOD Set 1.5: S 2 HIS : no HE2:sc= 0.138 K(o=-3,f=-7.2) USER MOD Set 1.6: S 4 HIS : no HD1:sc= -0.219 K(o=-3,f=-3.9) USER MOD Set 1.7: U 2 HIS : no HD1:sc= -1.76 K(o=-3,f=-5!) USER MOD Set 1.8: U 4 HIS : no HE2:sc= 0.0273 K(o=-3,f=-3.8) USER MOD Set 1.9: W 2 HIS : +bothHN:sc= 0.632 K(o=-3,f=-10!) USER MOD Set 1.10: W 4 HIS : no HD1:sc= -0.111 X(o=-3,f=-2.9) USER MOD Set 1.11: Y 2 HIS : no HD1:sc= 0 X(o=-3,f=-3.2) USER MOD Set 1.12: Y 4 HIS : no HD1:sc= 0.429 K(o=-3,f=-5.9) USER MOD Set 2.1: O 6 GLN : amide:sc= 0.37 K(o=1.3,f=0.54) USER MOD Set 2.2: Q 6 GLN : amide:sc= 0.299 K(o=1.3,f=-3.1!) USER MOD Set 2.3: S 6 GLN : amide:sc= 0.606 K(o=1.3,f=-6.2!) USER MOD Set 2.4: U 6 GLN : amide:sc= 0.353 K(o=1.3,f=-7.8!) USER MOD Set 2.5: W 6 GLN : amide:sc= 0.146 K(o=1.3,f=-8.2!) USER MOD Set 2.6: Y 6 GLN : amide:sc= -0.511 K(o=1.3,f=-7.1!) USER MOD Set 3.1: A 6 GLN : amide:sc= 0.41 K(o=0.98,f=0.2) USER MOD Set 3.2: C 6 GLN : amide:sc= 0.507 K(o=0.98,f=-3.4!) USER MOD Set 3.3: E 6 GLN : amide:sc= 0.264 K(o=0.98,f=-6.8!) USER MOD Set 3.4: G 6 GLN : amide:sc= 0.133 K(o=0.98,f=-7.4!) USER MOD Set 3.5: I 6 GLN : amide:sc= 0.0427 K(o=0.98,f=-8!) USER MOD Set 3.6: K 6 GLN : amide:sc= -0.373 K(o=0.98,f=-6.2!) USER MOD Set 4.1: A 2 HIS : no HE2:sc= -0.248 K(o=-2.9,f=-3.7) USER MOD Set 4.2: A 4 HIS : no HD1:sc= -0.362 K(o=-2.9,f=-4.2) USER MOD Set 4.3: C 2 HIS : no HD1:sc= -1.45 K(o=-2.9,f=-5.2!) USER MOD Set 4.4: C 4 HIS : no HE2:sc= 0.0621 K(o=-2.9,f=-4.3) USER MOD Set 4.5: E 2 HIS : no HE2:sc= 0.0528 K(o=-2.9,f=-6.7) USER MOD Set 4.6: E 4 HIS : no HD1:sc= -0.0242 K(o=-2.9,f=-3.5) USER MOD Set 4.7: G 2 HIS : no HD1:sc= -1.38 K(o=-2.9,f=-5.6!) USER MOD Set 4.8: G 4 HIS : no HE2:sc= 0.0361 K(o=-2.9,f=-4.1) USER MOD Set 4.9: I 2 HIS : +bothHN:sc= 0.381 K(o=-2.9,f=-8.1!) USER MOD Set 4.10: I 4 HIS : no HD1:sc= -0.0535 X(o=-2.9,f=-3) USER MOD Set 4.11: K 2 HIS : no HD1:sc= 0 X(o=-2.9,f=-3) USER MOD Set 4.12: K 4 HIS : no HD1:sc= 0.0659 X(o=-2.9,f=-3.2) USER MOD Single : A 1 ILE N :NH3+ -137:sc= -0.208 (180deg=-1.15!) USER MOD Single : C 1 ILE N :NH3+ -153:sc= -0.194 (180deg=-1.1!) USER MOD Single : E 1 ILE N :NH3+ -153:sc= -0.243 (180deg=-1.11) USER MOD Single : G 1 ILE N :NH3+ -137:sc= -0.135 (180deg=-0.998) USER MOD Single : I 1 ILE N :NH3+ -152:sc= -0.199 (180deg=-1.06) USER MOD Single : K 1 ILE N :NH3+ -151:sc= -0.195 (180deg=-1.03) USER MOD Single : O 1 ILE N :NH3+ -152:sc= -0.19 (180deg=-1.19!) USER MOD Single : Q 1 ILE N :NH3+ -154:sc= -0.192 (180deg=-1.14!) USER MOD Single : S 1 ILE N :NH3+ -152:sc= -0.166 (180deg=-1.09!) USER MOD Single : U 1 ILE N :NH3+ -152:sc= -0.207 (180deg=-1.05) USER MOD Single : W 1 ILE N :NH3+ -156:sc= -0.166 (180deg=-0.95) USER MOD Single : Y 1 ILE N :NH3+ -137:sc= -0.159 (180deg=-1.07) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 -11.388 -11.575 6.757 1.00 0.00 N ATOM 2 CA ILE A 1 -11.481 -10.361 7.617 1.00 0.00 C ATOM 3 C ILE A 1 -11.451 -9.122 6.727 1.00 0.00 C ATOM 4 O ILE A 1 -10.552 -8.966 5.900 1.00 0.00 O ATOM 5 CB ILE A 1 -10.293 -10.332 8.591 1.00 0.00 C ATOM 6 CG1 ILE A 1 -10.329 -11.587 9.467 1.00 0.00 C ATOM 7 CG2 ILE A 1 -10.387 -9.090 9.480 1.00 0.00 C ATOM 8 CD1 ILE A 1 -9.019 -11.707 10.251 1.00 0.00 C ATOM 0 H1 ILE A 1 -12.063 -12.291 7.093 1.00 0.00 H new ATOM 0 H2 ILE A 1 -11.613 -11.322 5.774 1.00 0.00 H new ATOM 0 H3 ILE A 1 -10.423 -11.960 6.804 1.00 0.00 H new ATOM 0 HA ILE A 1 -12.409 -10.379 8.188 1.00 0.00 H new ATOM 0 HB ILE A 1 -9.361 -10.303 8.027 1.00 0.00 H new ATOM 0 HG12 ILE A 1 -11.173 -11.538 10.155 1.00 0.00 H new ATOM 0 HG13 ILE A 1 -10.475 -12.471 8.847 1.00 0.00 H new ATOM 0 HG21 ILE A 1 -9.543 -9.072 10.170 1.00 0.00 H new ATOM 0 HG22 ILE A 1 -10.367 -8.195 8.858 1.00 0.00 H new ATOM 0 HG23 ILE A 1 -11.318 -9.117 10.046 1.00 0.00 H new ATOM 0 HD11 ILE A 1 -9.048 -12.601 10.873 1.00 0.00 H new ATOM 0 HD12 ILE A 1 -8.183 -11.777 9.555 1.00 0.00 H new ATOM 0 HD13 ILE A 1 -8.892 -10.829 10.884 1.00 0.00 H new ATOM 22 N HIS A 2 -12.431 -8.234 6.894 1.00 0.00 N ATOM 23 CA HIS A 2 -12.475 -7.026 6.113 1.00 0.00 C ATOM 24 C HIS A 2 -12.265 -5.827 7.029 1.00 0.00 C ATOM 25 O HIS A 2 -13.045 -5.609 7.956 1.00 0.00 O ATOM 26 CB HIS A 2 -13.881 -6.968 5.480 1.00 0.00 C ATOM 27 CG HIS A 2 -14.180 -5.603 4.935 1.00 0.00 C ATOM 28 ND1 HIS A 2 -15.457 -5.028 4.984 1.00 0.00 N ATOM 29 CD2 HIS A 2 -13.386 -4.702 4.298 1.00 0.00 C ATOM 30 CE1 HIS A 2 -15.381 -3.832 4.387 1.00 0.00 C ATOM 31 NE2 HIS A 2 -14.149 -3.577 3.946 1.00 0.00 N ATOM 0 H HIS A 2 -13.195 -8.339 7.562 1.00 0.00 H new ATOM 0 HA HIS A 2 -11.700 -7.011 5.347 1.00 0.00 H new ATOM 0 HB2 HIS A 2 -13.952 -7.705 4.680 1.00 0.00 H new ATOM 0 HB3 HIS A 2 -14.629 -7.235 6.226 1.00 0.00 H new ATOM 0 HD1 HIS A 2 -16.291 -5.444 5.398 1.00 0.00 H new ATOM 0 HD2 HIS A 2 -12.333 -4.831 4.095 1.00 0.00 H new ATOM 0 HE1 HIS A 2 -16.216 -3.156 4.276 1.00 0.00 H new ATOM 38 N VAL A 3 -11.240 -5.024 6.740 1.00 0.00 N ATOM 39 CA VAL A 3 -10.979 -3.813 7.520 1.00 0.00 C ATOM 40 C VAL A 3 -11.076 -2.590 6.618 1.00 0.00 C ATOM 41 O VAL A 3 -10.345 -2.503 5.632 1.00 0.00 O ATOM 42 CB VAL A 3 -9.591 -3.871 8.157 1.00 0.00 C ATOM 43 CG1 VAL A 3 -9.376 -2.605 8.985 1.00 0.00 C ATOM 44 CG2 VAL A 3 -9.480 -5.110 9.056 1.00 0.00 C ATOM 0 H VAL A 3 -10.582 -5.188 5.978 1.00 0.00 H new ATOM 0 HA VAL A 3 -11.724 -3.744 8.312 1.00 0.00 H new ATOM 0 HB VAL A 3 -8.830 -3.936 7.379 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -8.388 -2.635 9.445 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -9.449 -1.731 8.338 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -10.137 -2.546 9.763 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -8.488 -5.145 9.507 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -10.234 -5.058 9.842 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -9.639 -6.008 8.459 1.00 0.00 H new ATOM 54 N HIS A 4 -11.944 -1.635 6.956 1.00 0.00 N ATOM 55 CA HIS A 4 -12.071 -0.433 6.168 1.00 0.00 C ATOM 56 C HIS A 4 -11.707 0.802 6.987 1.00 0.00 C ATOM 57 O HIS A 4 -12.188 0.983 8.105 1.00 0.00 O ATOM 58 CB HIS A 4 -13.509 -0.361 5.619 1.00 0.00 C ATOM 59 CG HIS A 4 -13.542 0.485 4.376 1.00 0.00 C ATOM 60 ND1 HIS A 4 -13.845 -0.008 3.095 1.00 0.00 N ATOM 61 CD2 HIS A 4 -13.316 1.808 4.222 1.00 0.00 C ATOM 62 CE1 HIS A 4 -13.791 1.031 2.246 1.00 0.00 C ATOM 63 NE2 HIS A 4 -13.475 2.164 2.880 1.00 0.00 N ATOM 0 H HIS A 4 -12.561 -1.680 7.767 1.00 0.00 H new ATOM 0 HA HIS A 4 -11.373 -0.459 5.332 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -13.873 -1.364 5.396 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -14.175 0.059 6.373 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -13.052 2.489 5.017 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -13.979 0.960 1.185 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -13.372 3.093 2.471 1.00 0.00 H new ATOM 71 N LEU A 5 -10.851 1.651 6.416 1.00 0.00 N ATOM 72 CA LEU A 5 -10.410 2.882 7.082 1.00 0.00 C ATOM 73 C LEU A 5 -10.961 4.090 6.339 1.00 0.00 C ATOM 74 O LEU A 5 -10.520 4.398 5.232 1.00 0.00 O ATOM 75 CB LEU A 5 -8.872 2.933 7.079 1.00 0.00 C ATOM 76 CG LEU A 5 -8.307 2.228 8.313 1.00 0.00 C ATOM 77 CD1 LEU A 5 -8.866 0.806 8.397 1.00 0.00 C ATOM 78 CD2 LEU A 5 -6.770 2.178 8.213 1.00 0.00 C ATOM 0 H LEU A 5 -10.447 1.510 5.490 1.00 0.00 H new ATOM 0 HA LEU A 5 -10.776 2.895 8.109 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -8.489 2.459 6.175 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -8.537 3.970 7.061 1.00 0.00 H new ATOM 0 HG LEU A 5 -8.595 2.777 9.209 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -8.461 0.307 9.278 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -9.953 0.846 8.470 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -8.583 0.250 7.503 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -6.364 1.676 9.091 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -6.481 1.630 7.316 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -6.376 3.193 8.161 1.00 0.00 H new ATOM 90 N GLN A 6 -11.905 4.787 6.963 1.00 0.00 N ATOM 91 CA GLN A 6 -12.490 5.984 6.366 1.00 0.00 C ATOM 92 C GLN A 6 -12.373 7.119 7.367 1.00 0.00 C ATOM 93 O GLN A 6 -13.053 7.126 8.393 1.00 0.00 O ATOM 94 CB GLN A 6 -13.955 5.735 6.004 1.00 0.00 C ATOM 95 CG GLN A 6 -14.513 6.957 5.273 1.00 0.00 C ATOM 96 CD GLN A 6 -15.995 6.760 4.985 1.00 0.00 C ATOM 97 OE1 GLN A 6 -16.798 6.627 5.907 1.00 0.00 O ATOM 98 NE2 GLN A 6 -16.400 6.718 3.745 1.00 0.00 N ATOM 0 H GLN A 6 -12.281 4.545 7.880 1.00 0.00 H new ATOM 0 HA GLN A 6 -11.961 6.243 5.449 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -14.040 4.850 5.373 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -14.536 5.540 6.906 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -14.368 7.851 5.879 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -13.970 7.112 4.340 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -15.729 6.829 2.985 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -17.388 6.574 3.536 1.00 0.00 H new ATOM 107 N ILE A 7 -11.485 8.073 7.083 1.00 0.00 N ATOM 108 CA ILE A 7 -11.276 9.196 8.002 1.00 0.00 C ATOM 109 C ILE A 7 -10.979 10.480 7.233 1.00 0.00 C ATOM 110 O ILE A 7 -11.239 10.508 6.041 1.00 0.00 O ATOM 111 CB ILE A 7 -10.118 8.866 8.967 1.00 0.00 C ATOM 112 CG1 ILE A 7 -8.805 8.686 8.182 1.00 0.00 C ATOM 113 CG2 ILE A 7 -10.438 7.566 9.706 1.00 0.00 C ATOM 114 CD1 ILE A 7 -7.615 8.542 9.146 1.00 0.00 C ATOM 115 OXT ILE A 7 -10.494 11.416 7.847 1.00 0.00 O ATOM 0 H ILE A 7 -10.909 8.093 6.242 1.00 0.00 H new ATOM 0 HA ILE A 7 -12.189 9.353 8.577 1.00 0.00 H new ATOM 0 HB ILE A 7 -10.001 9.685 9.676 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -8.873 7.804 7.545 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -8.647 9.542 7.525 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -9.624 7.326 10.390 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -11.363 7.687 10.271 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -10.556 6.757 8.985 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -6.696 8.416 8.573 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -7.537 9.436 9.764 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -7.767 7.672 9.784 1.00 0.00 H new ATOM 128 N ILE C 1 -8.199 -11.704 3.215 1.00 0.00 N ATOM 129 CA ILE C 1 -8.329 -10.456 4.020 1.00 0.00 C ATOM 130 C ILE C 1 -8.323 -9.255 3.079 1.00 0.00 C ATOM 131 O ILE C 1 -7.402 -9.086 2.272 1.00 0.00 O ATOM 132 CB ILE C 1 -7.150 -10.355 5.004 1.00 0.00 C ATOM 133 CG1 ILE C 1 -7.163 -11.576 5.928 1.00 0.00 C ATOM 134 CG2 ILE C 1 -7.287 -9.083 5.844 1.00 0.00 C ATOM 135 CD1 ILE C 1 -5.873 -11.617 6.747 1.00 0.00 C ATOM 0 H1 ILE C 1 -8.642 -12.494 3.726 1.00 0.00 H new ATOM 0 H2 ILE C 1 -8.672 -11.576 2.298 1.00 0.00 H new ATOM 0 H3 ILE C 1 -7.192 -11.913 3.059 1.00 0.00 H new ATOM 0 HA ILE C 1 -9.262 -10.473 4.583 1.00 0.00 H new ATOM 0 HB ILE C 1 -6.213 -10.320 4.448 1.00 0.00 H new ATOM 0 HG12 ILE C 1 -8.026 -11.532 6.593 1.00 0.00 H new ATOM 0 HG13 ILE C 1 -7.261 -12.488 5.339 1.00 0.00 H new ATOM 0 HG21 ILE C 1 -6.451 -9.015 6.540 1.00 0.00 H new ATOM 0 HG22 ILE C 1 -7.286 -8.212 5.188 1.00 0.00 H new ATOM 0 HG23 ILE C 1 -8.222 -9.115 6.403 1.00 0.00 H new ATOM 0 HD11 ILE C 1 -5.886 -12.487 7.403 1.00 0.00 H new ATOM 0 HD12 ILE C 1 -5.017 -11.682 6.075 1.00 0.00 H new ATOM 0 HD13 ILE C 1 -5.794 -10.711 7.348 1.00 0.00 H new ATOM 149 N HIS C 2 -9.347 -8.406 3.183 1.00 0.00 N ATOM 150 CA HIS C 2 -9.402 -7.209 2.337 1.00 0.00 C ATOM 151 C HIS C 2 -9.209 -5.981 3.220 1.00 0.00 C ATOM 152 O HIS C 2 -9.984 -5.756 4.149 1.00 0.00 O ATOM 153 CB HIS C 2 -10.778 -7.124 1.637 1.00 0.00 C ATOM 154 CG HIS C 2 -10.776 -7.912 0.345 1.00 0.00 C ATOM 155 ND1 HIS C 2 -10.999 -7.310 -0.887 1.00 0.00 N ATOM 156 CD2 HIS C 2 -10.604 -9.250 0.078 1.00 0.00 C ATOM 157 CE1 HIS C 2 -10.954 -8.276 -1.824 1.00 0.00 C ATOM 158 NE2 HIS C 2 -10.716 -9.475 -1.290 1.00 0.00 N ATOM 0 H HIS C 2 -10.131 -8.518 3.826 1.00 0.00 H new ATOM 0 HA HIS C 2 -8.620 -7.257 1.579 1.00 0.00 H new ATOM 0 HB2 HIS C 2 -11.553 -7.508 2.301 1.00 0.00 H new ATOM 0 HB3 HIS C 2 -11.022 -6.082 1.432 1.00 0.00 H new ATOM 0 HD2 HIS C 2 -10.411 -10.012 0.819 1.00 0.00 H new ATOM 0 HE1 HIS C 2 -11.094 -8.101 -2.881 1.00 0.00 H new ATOM 0 HE2 HIS C 2 -10.634 -10.366 -1.780 1.00 0.00 H new ATOM 166 N VAL C 3 -8.204 -5.162 2.902 1.00 0.00 N ATOM 167 CA VAL C 3 -7.964 -3.929 3.653 1.00 0.00 C ATOM 168 C VAL C 3 -8.164 -2.732 2.727 1.00 0.00 C ATOM 169 O VAL C 3 -7.537 -2.658 1.663 1.00 0.00 O ATOM 170 CB VAL C 3 -6.548 -3.925 4.230 1.00 0.00 C ATOM 171 CG1 VAL C 3 -6.349 -2.645 5.037 1.00 0.00 C ATOM 172 CG2 VAL C 3 -6.348 -5.148 5.138 1.00 0.00 C ATOM 0 H VAL C 3 -7.550 -5.328 2.137 1.00 0.00 H new ATOM 0 HA VAL C 3 -8.669 -3.867 4.482 1.00 0.00 H new ATOM 0 HB VAL C 3 -5.821 -3.969 3.419 1.00 0.00 H new ATOM 0 HG11 VAL C 3 -5.342 -2.631 5.454 1.00 0.00 H new ATOM 0 HG12 VAL C 3 -6.485 -1.780 4.387 1.00 0.00 H new ATOM 0 HG13 VAL C 3 -7.078 -2.609 5.847 1.00 0.00 H new ATOM 0 HG21 VAL C 3 -5.337 -5.138 5.545 1.00 0.00 H new ATOM 0 HG22 VAL C 3 -7.068 -5.116 5.955 1.00 0.00 H new ATOM 0 HG23 VAL C 3 -6.497 -6.059 4.559 1.00 0.00 H new ATOM 182 N HIS C 4 -9.023 -1.789 3.119 1.00 0.00 N ATOM 183 CA HIS C 4 -9.274 -0.596 2.289 1.00 0.00 C ATOM 184 C HIS C 4 -8.867 0.676 3.042 1.00 0.00 C ATOM 185 O HIS C 4 -9.268 0.875 4.189 1.00 0.00 O ATOM 186 CB HIS C 4 -10.777 -0.536 1.899 1.00 0.00 C ATOM 187 CG HIS C 4 -11.218 -1.796 1.147 1.00 0.00 C ATOM 188 ND1 HIS C 4 -12.474 -2.385 1.343 1.00 0.00 N ATOM 189 CD2 HIS C 4 -10.594 -2.588 0.198 1.00 0.00 C ATOM 190 CE1 HIS C 4 -12.552 -3.464 0.542 1.00 0.00 C ATOM 191 NE2 HIS C 4 -11.440 -3.636 -0.176 1.00 0.00 N ATOM 0 H HIS C 4 -9.552 -1.821 3.991 1.00 0.00 H new ATOM 0 HA HIS C 4 -8.673 -0.663 1.382 1.00 0.00 H new ATOM 0 HB2 HIS C 4 -11.382 -0.418 2.798 1.00 0.00 H new ATOM 0 HB3 HIS C 4 -10.957 0.341 1.277 1.00 0.00 H new ATOM 0 HD1 HIS C 4 -13.200 -2.055 1.979 1.00 0.00 H new ATOM 0 HD2 HIS C 4 -9.602 -2.421 -0.195 1.00 0.00 H new ATOM 0 HE1 HIS C 4 -13.413 -4.114 0.487 1.00 0.00 H new ATOM 198 N LEU C 5 -8.078 1.542 2.392 1.00 0.00 N ATOM 199 CA LEU C 5 -7.625 2.805 3.006 1.00 0.00 C ATOM 200 C LEU C 5 -8.228 3.992 2.262 1.00 0.00 C ATOM 201 O LEU C 5 -8.000 4.164 1.063 1.00 0.00 O ATOM 202 CB LEU C 5 -6.089 2.880 2.948 1.00 0.00 C ATOM 203 CG LEU C 5 -5.469 2.222 4.182 1.00 0.00 C ATOM 204 CD1 LEU C 5 -5.953 0.775 4.299 1.00 0.00 C ATOM 205 CD2 LEU C 5 -3.936 2.246 4.049 1.00 0.00 C ATOM 0 H LEU C 5 -7.738 1.394 1.442 1.00 0.00 H new ATOM 0 HA LEU C 5 -7.951 2.837 4.045 1.00 0.00 H new ATOM 0 HB2 LEU C 5 -5.729 2.385 2.046 1.00 0.00 H new ATOM 0 HB3 LEU C 5 -5.773 3.921 2.887 1.00 0.00 H new ATOM 0 HG LEU C 5 -5.769 2.769 5.076 1.00 0.00 H new ATOM 0 HD11 LEU C 5 -5.508 0.312 5.180 1.00 0.00 H new ATOM 0 HD12 LEU C 5 -7.039 0.761 4.392 1.00 0.00 H new ATOM 0 HD13 LEU C 5 -5.658 0.219 3.409 1.00 0.00 H new ATOM 0 HD21 LEU C 5 -3.487 1.778 4.925 1.00 0.00 H new ATOM 0 HD22 LEU C 5 -3.640 1.699 3.154 1.00 0.00 H new ATOM 0 HD23 LEU C 5 -3.593 3.278 3.973 1.00 0.00 H new ATOM 217 N GLN C 6 -8.983 4.819 2.985 1.00 0.00 N ATOM 218 CA GLN C 6 -9.603 6.000 2.394 1.00 0.00 C ATOM 219 C GLN C 6 -9.497 7.176 3.364 1.00 0.00 C ATOM 220 O GLN C 6 -10.143 7.193 4.418 1.00 0.00 O ATOM 221 CB GLN C 6 -11.069 5.699 2.070 1.00 0.00 C ATOM 222 CG GLN C 6 -11.680 6.876 1.311 1.00 0.00 C ATOM 223 CD GLN C 6 -13.163 6.628 1.059 1.00 0.00 C ATOM 224 OE1 GLN C 6 -13.953 6.531 2.003 1.00 0.00 O ATOM 225 NE2 GLN C 6 -13.585 6.500 -0.169 1.00 0.00 N ATOM 0 H GLN C 6 -9.178 4.692 3.978 1.00 0.00 H new ATOM 0 HA GLN C 6 -9.087 6.264 1.471 1.00 0.00 H new ATOM 0 HB2 GLN C 6 -11.140 4.791 1.471 1.00 0.00 H new ATOM 0 HB3 GLN C 6 -11.625 5.519 2.990 1.00 0.00 H new ATOM 0 HG2 GLN C 6 -11.550 7.794 1.884 1.00 0.00 H new ATOM 0 HG3 GLN C 6 -11.161 7.015 0.363 1.00 0.00 H new ATOM 0 HE21 GLN C 6 -12.928 6.581 -0.945 1.00 0.00 H new ATOM 0 HE22 GLN C 6 -14.572 6.319 -0.353 1.00 0.00 H new ATOM 234 N ILE C 7 -8.667 8.165 3.017 1.00 0.00 N ATOM 235 CA ILE C 7 -8.487 9.336 3.892 1.00 0.00 C ATOM 236 C ILE C 7 -8.437 10.622 3.060 1.00 0.00 C ATOM 237 O ILE C 7 -8.627 11.682 3.633 1.00 0.00 O ATOM 238 CB ILE C 7 -7.201 9.173 4.752 1.00 0.00 C ATOM 239 CG1 ILE C 7 -5.978 9.759 4.019 1.00 0.00 C ATOM 240 CG2 ILE C 7 -6.969 7.689 5.052 1.00 0.00 C ATOM 241 CD1 ILE C 7 -4.676 9.360 4.727 1.00 0.00 C ATOM 242 OXT ILE C 7 -8.214 10.524 1.865 1.00 0.00 O ATOM 0 H ILE C 7 -8.119 8.183 2.157 1.00 0.00 H new ATOM 0 HA ILE C 7 -9.339 9.406 4.568 1.00 0.00 H new ATOM 0 HB ILE C 7 -7.334 9.717 5.687 1.00 0.00 H new ATOM 0 HG12 ILE C 7 -5.961 9.403 2.989 1.00 0.00 H new ATOM 0 HG13 ILE C 7 -6.058 10.845 3.980 1.00 0.00 H new ATOM 0 HG21 ILE C 7 -6.068 7.576 5.655 1.00 0.00 H new ATOM 0 HG22 ILE C 7 -7.823 7.290 5.599 1.00 0.00 H new ATOM 0 HG23 ILE C 7 -6.851 7.143 4.116 1.00 0.00 H new ATOM 0 HD11 ILE C 7 -3.826 9.785 4.192 1.00 0.00 H new ATOM 0 HD12 ILE C 7 -4.687 9.738 5.749 1.00 0.00 H new ATOM 0 HD13 ILE C 7 -4.589 8.274 4.743 1.00 0.00 H new ATOM 255 N ILE E 1 -5.289 -11.642 -0.733 1.00 0.00 N ATOM 256 CA ILE E 1 -5.340 -10.406 0.098 1.00 0.00 C ATOM 257 C ILE E 1 -5.383 -9.192 -0.823 1.00 0.00 C ATOM 258 O ILE E 1 -4.524 -9.035 -1.702 1.00 0.00 O ATOM 259 CB ILE E 1 -4.088 -10.340 0.983 1.00 0.00 C ATOM 260 CG1 ILE E 1 -4.047 -11.569 1.899 1.00 0.00 C ATOM 261 CG2 ILE E 1 -4.126 -9.068 1.838 1.00 0.00 C ATOM 262 CD1 ILE E 1 -2.677 -11.662 2.583 1.00 0.00 C ATOM 0 H1 ILE E 1 -5.706 -12.434 -0.203 1.00 0.00 H new ATOM 0 H2 ILE E 1 -5.825 -11.492 -1.611 1.00 0.00 H new ATOM 0 H3 ILE E 1 -4.300 -11.864 -0.965 1.00 0.00 H new ATOM 0 HA ILE E 1 -6.228 -10.417 0.730 1.00 0.00 H new ATOM 0 HB ILE E 1 -3.200 -10.324 0.352 1.00 0.00 H new ATOM 0 HG12 ILE E 1 -4.834 -11.501 2.650 1.00 0.00 H new ATOM 0 HG13 ILE E 1 -4.236 -12.472 1.319 1.00 0.00 H new ATOM 0 HG21 ILE E 1 -3.236 -9.024 2.465 1.00 0.00 H new ATOM 0 HG22 ILE E 1 -4.155 -8.193 1.188 1.00 0.00 H new ATOM 0 HG23 ILE E 1 -5.014 -9.081 2.470 1.00 0.00 H new ATOM 0 HD11 ILE E 1 -2.653 -12.537 3.233 1.00 0.00 H new ATOM 0 HD12 ILE E 1 -1.898 -11.751 1.826 1.00 0.00 H new ATOM 0 HD13 ILE E 1 -2.505 -10.764 3.177 1.00 0.00 H new ATOM 276 N HIS E 2 -6.381 -8.322 -0.623 1.00 0.00 N ATOM 277 CA HIS E 2 -6.493 -7.134 -1.437 1.00 0.00 C ATOM 278 C HIS E 2 -6.262 -5.903 -0.574 1.00 0.00 C ATOM 279 O HIS E 2 -7.002 -5.667 0.381 1.00 0.00 O ATOM 280 CB HIS E 2 -7.933 -7.101 -1.994 1.00 0.00 C ATOM 281 CG HIS E 2 -8.247 -5.758 -2.594 1.00 0.00 C ATOM 282 ND1 HIS E 2 -9.501 -5.131 -2.477 1.00 0.00 N ATOM 283 CD2 HIS E 2 -7.486 -4.924 -3.352 1.00 0.00 C ATOM 284 CE1 HIS E 2 -9.438 -3.981 -3.155 1.00 0.00 C ATOM 285 NE2 HIS E 2 -8.243 -3.797 -3.711 1.00 0.00 N ATOM 0 H HIS E 2 -7.106 -8.427 0.087 1.00 0.00 H new ATOM 0 HA HIS E 2 -5.758 -7.143 -2.242 1.00 0.00 H new ATOM 0 HB2 HIS E 2 -8.053 -7.878 -2.749 1.00 0.00 H new ATOM 0 HB3 HIS E 2 -8.641 -7.321 -1.195 1.00 0.00 H new ATOM 0 HD1 HIS E 2 -10.310 -5.488 -1.968 1.00 0.00 H new ATOM 0 HD2 HIS E 2 -6.459 -5.101 -3.634 1.00 0.00 H new ATOM 0 HE1 HIS E 2 -10.259 -3.284 -3.241 1.00 0.00 H new ATOM 292 N VAL E 3 -5.274 -5.088 -0.946 1.00 0.00 N ATOM 293 CA VAL E 3 -5.008 -3.842 -0.226 1.00 0.00 C ATOM 294 C VAL E 3 -5.174 -2.661 -1.168 1.00 0.00 C ATOM 295 O VAL E 3 -4.488 -2.597 -2.190 1.00 0.00 O ATOM 296 CB VAL E 3 -3.595 -3.845 0.346 1.00 0.00 C ATOM 297 CG1 VAL E 3 -3.363 -2.536 1.103 1.00 0.00 C ATOM 298 CG2 VAL E 3 -3.433 -5.032 1.298 1.00 0.00 C ATOM 0 H VAL E 3 -4.650 -5.265 -1.733 1.00 0.00 H new ATOM 0 HA VAL E 3 -5.718 -3.757 0.597 1.00 0.00 H new ATOM 0 HB VAL E 3 -2.867 -3.934 -0.460 1.00 0.00 H new ATOM 0 HG11 VAL E 3 -2.354 -2.529 1.516 1.00 0.00 H new ATOM 0 HG12 VAL E 3 -3.482 -1.695 0.420 1.00 0.00 H new ATOM 0 HG13 VAL E 3 -4.088 -2.451 1.913 1.00 0.00 H new ATOM 0 HG21 VAL E 3 -2.423 -5.035 1.707 1.00 0.00 H new ATOM 0 HG22 VAL E 3 -4.154 -4.947 2.111 1.00 0.00 H new ATOM 0 HG23 VAL E 3 -3.607 -5.961 0.754 1.00 0.00 H new ATOM 308 N HIS E 4 -6.052 -1.714 -0.831 1.00 0.00 N ATOM 309 CA HIS E 4 -6.238 -0.549 -1.662 1.00 0.00 C ATOM 310 C HIS E 4 -5.870 0.728 -0.916 1.00 0.00 C ATOM 311 O HIS E 4 -6.306 0.946 0.214 1.00 0.00 O ATOM 312 CB HIS E 4 -7.694 -0.530 -2.163 1.00 0.00 C ATOM 313 CG HIS E 4 -7.788 0.288 -3.421 1.00 0.00 C ATOM 314 ND1 HIS E 4 -8.101 -0.244 -4.689 1.00 0.00 N ATOM 315 CD2 HIS E 4 -7.620 1.615 -3.607 1.00 0.00 C ATOM 316 CE1 HIS E 4 -8.107 0.778 -5.557 1.00 0.00 C ATOM 317 NE2 HIS E 4 -7.823 1.935 -4.953 1.00 0.00 N ATOM 0 H HIS E 4 -6.635 -1.740 0.006 1.00 0.00 H new ATOM 0 HA HIS E 4 -5.570 -0.599 -2.522 1.00 0.00 H new ATOM 0 HB2 HIS E 4 -8.036 -1.547 -2.353 1.00 0.00 H new ATOM 0 HB3 HIS E 4 -8.347 -0.112 -1.397 1.00 0.00 H new ATOM 0 HD2 HIS E 4 -7.367 2.323 -2.832 1.00 0.00 H new ATOM 0 HE1 HIS E 4 -8.315 0.678 -6.612 1.00 0.00 H new ATOM 0 HE2 HIS E 4 -7.766 2.858 -5.383 1.00 0.00 H new ATOM 325 N LEU E 5 -5.059 1.570 -1.562 1.00 0.00 N ATOM 326 CA LEU E 5 -4.617 2.833 -0.965 1.00 0.00 C ATOM 327 C LEU E 5 -5.226 4.013 -1.710 1.00 0.00 C ATOM 328 O LEU E 5 -4.864 4.289 -2.854 1.00 0.00 O ATOM 329 CB LEU E 5 -3.079 2.910 -1.033 1.00 0.00 C ATOM 330 CG LEU E 5 -2.457 2.290 0.217 1.00 0.00 C ATOM 331 CD1 LEU E 5 -2.972 0.858 0.386 1.00 0.00 C ATOM 332 CD2 LEU E 5 -0.923 2.280 0.077 1.00 0.00 C ATOM 0 H LEU E 5 -4.695 1.400 -2.499 1.00 0.00 H new ATOM 0 HA LEU E 5 -4.944 2.874 0.074 1.00 0.00 H new ATOM 0 HB2 LEU E 5 -2.722 2.389 -1.921 1.00 0.00 H new ATOM 0 HB3 LEU E 5 -2.765 3.950 -1.126 1.00 0.00 H new ATOM 0 HG LEU E 5 -2.734 2.877 1.093 1.00 0.00 H new ATOM 0 HD11 LEU E 5 -2.529 0.415 1.278 1.00 0.00 H new ATOM 0 HD12 LEU E 5 -4.057 0.871 0.488 1.00 0.00 H new ATOM 0 HD13 LEU E 5 -2.697 0.267 -0.488 1.00 0.00 H new ATOM 0 HD21 LEU E 5 -0.479 1.838 0.969 1.00 0.00 H new ATOM 0 HD22 LEU E 5 -0.641 1.694 -0.798 1.00 0.00 H new ATOM 0 HD23 LEU E 5 -0.562 3.302 -0.040 1.00 0.00 H new ATOM 344 N GLN E 6 -6.130 4.728 -1.042 1.00 0.00 N ATOM 345 CA GLN E 6 -6.766 5.902 -1.634 1.00 0.00 C ATOM 346 C GLN E 6 -6.641 7.069 -0.665 1.00 0.00 C ATOM 347 O GLN E 6 -7.284 7.099 0.390 1.00 0.00 O ATOM 348 CB GLN E 6 -8.235 5.604 -1.936 1.00 0.00 C ATOM 349 CG GLN E 6 -8.858 6.797 -2.661 1.00 0.00 C ATOM 350 CD GLN E 6 -10.341 6.550 -2.898 1.00 0.00 C ATOM 351 OE1 GLN E 6 -11.121 6.431 -1.947 1.00 0.00 O ATOM 352 NE2 GLN E 6 -10.771 6.447 -4.126 1.00 0.00 N ATOM 0 H GLN E 6 -6.437 4.515 -0.093 1.00 0.00 H new ATOM 0 HA GLN E 6 -6.274 6.160 -2.572 1.00 0.00 H new ATOM 0 HB2 GLN E 6 -8.316 4.708 -2.551 1.00 0.00 H new ATOM 0 HB3 GLN E 6 -8.775 5.405 -1.010 1.00 0.00 H new ATOM 0 HG2 GLN E 6 -8.722 7.703 -2.070 1.00 0.00 H new ATOM 0 HG3 GLN E 6 -8.352 6.959 -3.613 1.00 0.00 H new ATOM 0 HE21 GLN E 6 -10.120 6.547 -4.905 1.00 0.00 H new ATOM 0 HE22 GLN E 6 -11.758 6.267 -4.307 1.00 0.00 H new ATOM 361 N ILE E 7 -5.789 8.026 -1.012 1.00 0.00 N ATOM 362 CA ILE E 7 -5.567 9.176 -0.139 1.00 0.00 C ATOM 363 C ILE E 7 -5.335 10.443 -0.961 1.00 0.00 C ATOM 364 O ILE E 7 -5.657 10.429 -2.137 1.00 0.00 O ATOM 365 CB ILE E 7 -4.358 8.880 0.767 1.00 0.00 C ATOM 366 CG1 ILE E 7 -3.079 8.757 -0.074 1.00 0.00 C ATOM 367 CG2 ILE E 7 -4.584 7.543 1.490 1.00 0.00 C ATOM 368 CD1 ILE E 7 -1.843 8.613 0.830 1.00 0.00 C ATOM 369 OXT ILE E 7 -4.838 11.406 -0.400 1.00 0.00 O ATOM 0 H ILE E 7 -5.248 8.032 -1.876 1.00 0.00 H new ATOM 0 HA ILE E 7 -6.450 9.345 0.477 1.00 0.00 H new ATOM 0 HB ILE E 7 -4.251 9.695 1.483 1.00 0.00 H new ATOM 0 HG12 ILE E 7 -3.154 7.893 -0.735 1.00 0.00 H new ATOM 0 HG13 ILE E 7 -2.970 9.636 -0.709 1.00 0.00 H new ATOM 0 HG21 ILE E 7 -3.731 7.328 2.133 1.00 0.00 H new ATOM 0 HG22 ILE E 7 -5.488 7.605 2.096 1.00 0.00 H new ATOM 0 HG23 ILE E 7 -4.694 6.746 0.755 1.00 0.00 H new ATOM 0 HD11 ILE E 7 -0.949 8.527 0.213 1.00 0.00 H new ATOM 0 HD12 ILE E 7 -1.758 9.489 1.472 1.00 0.00 H new ATOM 0 HD13 ILE E 7 -1.945 7.720 1.446 1.00 0.00 H new ATOM 382 N ILE G 1 -1.903 -11.706 -4.332 1.00 0.00 N ATOM 383 CA ILE G 1 -2.032 -10.448 -3.545 1.00 0.00 C ATOM 384 C ILE G 1 -2.067 -9.260 -4.498 1.00 0.00 C ATOM 385 O ILE G 1 -1.146 -9.069 -5.305 1.00 0.00 O ATOM 386 CB ILE G 1 -0.832 -10.310 -2.604 1.00 0.00 C ATOM 387 CG1 ILE G 1 -0.805 -11.497 -1.637 1.00 0.00 C ATOM 388 CG2 ILE G 1 -0.959 -9.012 -1.812 1.00 0.00 C ATOM 389 CD1 ILE G 1 0.519 -11.504 -0.870 1.00 0.00 C ATOM 0 H1 ILE G 1 -2.543 -12.427 -3.942 1.00 0.00 H new ATOM 0 H2 ILE G 1 -2.153 -11.522 -5.325 1.00 0.00 H new ATOM 0 H3 ILE G 1 -0.923 -12.049 -4.280 1.00 0.00 H new ATOM 0 HA ILE G 1 -2.951 -10.476 -2.960 1.00 0.00 H new ATOM 0 HB ILE G 1 0.090 -10.294 -3.186 1.00 0.00 H new ATOM 0 HG12 ILE G 1 -1.640 -11.430 -0.940 1.00 0.00 H new ATOM 0 HG13 ILE G 1 -0.923 -12.430 -2.188 1.00 0.00 H new ATOM 0 HG21 ILE G 1 -0.106 -8.910 -1.141 1.00 0.00 H new ATOM 0 HG22 ILE G 1 -0.982 -8.167 -2.500 1.00 0.00 H new ATOM 0 HG23 ILE G 1 -1.880 -9.030 -1.229 1.00 0.00 H new ATOM 0 HD11 ILE G 1 0.537 -12.349 -0.182 1.00 0.00 H new ATOM 0 HD12 ILE G 1 1.347 -11.592 -1.574 1.00 0.00 H new ATOM 0 HD13 ILE G 1 0.618 -10.576 -0.307 1.00 0.00 H new ATOM 403 N HIS G 2 -3.124 -8.445 -4.406 1.00 0.00 N ATOM 404 CA HIS G 2 -3.220 -7.264 -5.271 1.00 0.00 C ATOM 405 C HIS G 2 -3.059 -6.008 -4.425 1.00 0.00 C ATOM 406 O HIS G 2 -3.829 -5.780 -3.489 1.00 0.00 O ATOM 407 CB HIS G 2 -4.598 -7.240 -5.969 1.00 0.00 C ATOM 408 CG HIS G 2 -4.577 -8.056 -7.244 1.00 0.00 C ATOM 409 ND1 HIS G 2 -4.814 -7.486 -8.489 1.00 0.00 N ATOM 410 CD2 HIS G 2 -4.371 -9.395 -7.485 1.00 0.00 C ATOM 411 CE1 HIS G 2 -4.746 -8.468 -9.406 1.00 0.00 C ATOM 412 NE2 HIS G 2 -4.479 -9.651 -8.849 1.00 0.00 N ATOM 0 H HIS G 2 -3.904 -8.575 -3.761 1.00 0.00 H new ATOM 0 HA HIS G 2 -2.435 -7.302 -6.026 1.00 0.00 H new ATOM 0 HB2 HIS G 2 -5.358 -7.634 -5.294 1.00 0.00 H new ATOM 0 HB3 HIS G 2 -4.876 -6.211 -6.197 1.00 0.00 H new ATOM 0 HD2 HIS G 2 -4.158 -10.136 -6.729 1.00 0.00 H new ATOM 0 HE1 HIS G 2 -4.890 -8.317 -10.466 1.00 0.00 H new ATOM 0 HE2 HIS G 2 -4.376 -10.549 -9.321 1.00 0.00 H new ATOM 420 N VAL G 3 -2.085 -5.170 -4.784 1.00 0.00 N ATOM 421 CA VAL G 3 -1.869 -3.907 -4.078 1.00 0.00 C ATOM 422 C VAL G 3 -2.124 -2.745 -5.037 1.00 0.00 C ATOM 423 O VAL G 3 -1.524 -2.691 -6.116 1.00 0.00 O ATOM 424 CB VAL G 3 -0.442 -3.842 -3.540 1.00 0.00 C ATOM 425 CG1 VAL G 3 -0.265 -2.530 -2.780 1.00 0.00 C ATOM 426 CG2 VAL G 3 -0.180 -5.025 -2.598 1.00 0.00 C ATOM 0 H VAL G 3 -1.438 -5.341 -5.554 1.00 0.00 H new ATOM 0 HA VAL G 3 -2.558 -3.840 -3.236 1.00 0.00 H new ATOM 0 HB VAL G 3 0.265 -3.892 -4.368 1.00 0.00 H new ATOM 0 HG11 VAL G 3 0.751 -2.470 -2.390 1.00 0.00 H new ATOM 0 HG12 VAL G 3 -0.445 -1.692 -3.454 1.00 0.00 H new ATOM 0 HG13 VAL G 3 -0.974 -2.490 -1.953 1.00 0.00 H new ATOM 0 HG21 VAL G 3 0.841 -4.970 -2.220 1.00 0.00 H new ATOM 0 HG22 VAL G 3 -0.879 -4.987 -1.763 1.00 0.00 H new ATOM 0 HG23 VAL G 3 -0.315 -5.960 -3.142 1.00 0.00 H new ATOM 436 N HIS G 4 -3.004 -1.814 -4.657 1.00 0.00 N ATOM 437 CA HIS G 4 -3.307 -0.660 -5.523 1.00 0.00 C ATOM 438 C HIS G 4 -2.922 0.650 -4.826 1.00 0.00 C ATOM 439 O HIS G 4 -3.305 0.880 -3.679 1.00 0.00 O ATOM 440 CB HIS G 4 -4.818 -0.657 -5.880 1.00 0.00 C ATOM 441 CG HIS G 4 -5.229 -1.949 -6.595 1.00 0.00 C ATOM 442 ND1 HIS G 4 -6.462 -2.583 -6.368 1.00 0.00 N ATOM 443 CD2 HIS G 4 -4.588 -2.742 -7.530 1.00 0.00 C ATOM 444 CE1 HIS G 4 -6.504 -3.683 -7.139 1.00 0.00 C ATOM 445 NE2 HIS G 4 -5.394 -3.831 -7.864 1.00 0.00 N ATOM 0 H HIS G 4 -3.513 -1.830 -3.773 1.00 0.00 H new ATOM 0 HA HIS G 4 -2.724 -0.743 -6.440 1.00 0.00 H new ATOM 0 HB2 HIS G 4 -5.407 -0.540 -4.971 1.00 0.00 H new ATOM 0 HB3 HIS G 4 -5.041 0.199 -6.517 1.00 0.00 H new ATOM 0 HD1 HIS G 4 -7.194 -2.266 -5.732 1.00 0.00 H new ATOM 0 HD2 HIS G 4 -3.608 -2.547 -7.941 1.00 0.00 H new ATOM 0 HE1 HIS G 4 -7.339 -4.367 -7.168 1.00 0.00 H new ATOM 452 N LEU G 5 -2.172 1.515 -5.526 1.00 0.00 N ATOM 453 CA LEU G 5 -1.747 2.811 -4.964 1.00 0.00 C ATOM 454 C LEU G 5 -2.409 3.958 -5.721 1.00 0.00 C ATOM 455 O LEU G 5 -2.221 4.106 -6.930 1.00 0.00 O ATOM 456 CB LEU G 5 -0.217 2.940 -5.059 1.00 0.00 C ATOM 457 CG LEU G 5 0.454 2.333 -3.825 1.00 0.00 C ATOM 458 CD1 LEU G 5 0.025 0.871 -3.664 1.00 0.00 C ATOM 459 CD2 LEU G 5 1.981 2.409 -3.992 1.00 0.00 C ATOM 0 H LEU G 5 -1.847 1.344 -6.478 1.00 0.00 H new ATOM 0 HA LEU G 5 -2.050 2.859 -3.918 1.00 0.00 H new ATOM 0 HB2 LEU G 5 0.140 2.437 -5.958 1.00 0.00 H new ATOM 0 HB3 LEU G 5 0.060 3.990 -5.150 1.00 0.00 H new ATOM 0 HG LEU G 5 0.153 2.890 -2.937 1.00 0.00 H new ATOM 0 HD11 LEU G 5 0.507 0.445 -2.784 1.00 0.00 H new ATOM 0 HD12 LEU G 5 -1.057 0.820 -3.546 1.00 0.00 H new ATOM 0 HD13 LEU G 5 0.320 0.306 -4.548 1.00 0.00 H new ATOM 0 HD21 LEU G 5 2.465 1.978 -3.116 1.00 0.00 H new ATOM 0 HD22 LEU G 5 2.278 1.852 -4.881 1.00 0.00 H new ATOM 0 HD23 LEU G 5 2.284 3.451 -4.098 1.00 0.00 H new ATOM 471 N GLN G 6 -3.168 4.778 -4.994 1.00 0.00 N ATOM 472 CA GLN G 6 -3.845 5.925 -5.592 1.00 0.00 C ATOM 473 C GLN G 6 -3.757 7.123 -4.649 1.00 0.00 C ATOM 474 O GLN G 6 -4.392 7.142 -3.589 1.00 0.00 O ATOM 475 CB GLN G 6 -5.310 5.567 -5.869 1.00 0.00 C ATOM 476 CG GLN G 6 -5.984 6.710 -6.628 1.00 0.00 C ATOM 477 CD GLN G 6 -7.464 6.404 -6.839 1.00 0.00 C ATOM 478 OE1 GLN G 6 -8.237 6.309 -5.878 1.00 0.00 O ATOM 479 NE2 GLN G 6 -7.900 6.219 -8.056 1.00 0.00 N ATOM 0 H GLN G 6 -3.328 4.668 -3.993 1.00 0.00 H new ATOM 0 HA GLN G 6 -3.362 6.186 -6.534 1.00 0.00 H new ATOM 0 HB2 GLN G 6 -5.366 4.648 -6.452 1.00 0.00 H new ATOM 0 HB3 GLN G 6 -5.833 5.382 -4.931 1.00 0.00 H new ATOM 0 HG2 GLN G 6 -5.874 7.641 -6.071 1.00 0.00 H new ATOM 0 HG3 GLN G 6 -5.494 6.855 -7.591 1.00 0.00 H new ATOM 0 HE21 GLN G 6 -7.259 6.298 -8.845 1.00 0.00 H new ATOM 0 HE22 GLN G 6 -8.882 5.995 -8.217 1.00 0.00 H new ATOM 488 N ILE G 7 -2.959 8.126 -5.031 1.00 0.00 N ATOM 489 CA ILE G 7 -2.794 9.322 -4.190 1.00 0.00 C ATOM 490 C ILE G 7 -2.830 10.591 -5.047 1.00 0.00 C ATOM 491 O ILE G 7 -3.081 11.649 -4.493 1.00 0.00 O ATOM 492 CB ILE G 7 -1.471 9.233 -3.382 1.00 0.00 C ATOM 493 CG1 ILE G 7 -0.291 9.810 -4.187 1.00 0.00 C ATOM 494 CG2 ILE G 7 -1.182 7.769 -3.031 1.00 0.00 C ATOM 495 CD1 ILE G 7 1.038 9.504 -3.480 1.00 0.00 C ATOM 496 OXT ILE G 7 -2.609 10.482 -6.242 1.00 0.00 O ATOM 0 H ILE G 7 -2.425 8.138 -5.900 1.00 0.00 H new ATOM 0 HA ILE G 7 -3.623 9.370 -3.484 1.00 0.00 H new ATOM 0 HB ILE G 7 -1.586 9.819 -2.470 1.00 0.00 H new ATOM 0 HG12 ILE G 7 -0.283 9.384 -5.190 1.00 0.00 H new ATOM 0 HG13 ILE G 7 -0.411 10.888 -4.299 1.00 0.00 H new ATOM 0 HG21 ILE G 7 -0.253 7.707 -2.464 1.00 0.00 H new ATOM 0 HG22 ILE G 7 -2.000 7.370 -2.432 1.00 0.00 H new ATOM 0 HG23 ILE G 7 -1.087 7.187 -3.948 1.00 0.00 H new ATOM 0 HD11 ILE G 7 1.863 9.918 -4.060 1.00 0.00 H new ATOM 0 HD12 ILE G 7 1.033 9.952 -2.486 1.00 0.00 H new ATOM 0 HD13 ILE G 7 1.163 8.425 -3.391 1.00 0.00 H new ATOM 509 N ILE I 1 1.066 -11.688 -8.257 1.00 0.00 N ATOM 510 CA ILE I 1 1.006 -10.431 -7.456 1.00 0.00 C ATOM 511 C ILE I 1 0.887 -9.242 -8.401 1.00 0.00 C ATOM 512 O ILE I 1 1.714 -9.078 -9.304 1.00 0.00 O ATOM 513 CB ILE I 1 2.290 -10.290 -6.634 1.00 0.00 C ATOM 514 CG1 ILE I 1 2.427 -11.486 -5.684 1.00 0.00 C ATOM 515 CG2 ILE I 1 2.226 -8.997 -5.816 1.00 0.00 C ATOM 516 CD1 ILE I 1 3.837 -11.506 -5.077 1.00 0.00 C ATOM 0 H1 ILE I 1 0.681 -12.475 -7.697 1.00 0.00 H new ATOM 0 H2 ILE I 1 0.505 -11.573 -9.125 1.00 0.00 H new ATOM 0 H3 ILE I 1 2.054 -11.893 -8.508 1.00 0.00 H new ATOM 0 HA ILE I 1 0.145 -10.463 -6.789 1.00 0.00 H new ATOM 0 HB ILE I 1 3.149 -10.260 -7.304 1.00 0.00 H new ATOM 0 HG12 ILE I 1 1.681 -11.421 -4.892 1.00 0.00 H new ATOM 0 HG13 ILE I 1 2.240 -12.414 -6.223 1.00 0.00 H new ATOM 0 HG21 ILE I 1 3.138 -8.892 -5.229 1.00 0.00 H new ATOM 0 HG22 ILE I 1 2.128 -8.145 -6.489 1.00 0.00 H new ATOM 0 HG23 ILE I 1 1.366 -9.032 -5.147 1.00 0.00 H new ATOM 0 HD11 ILE I 1 3.931 -12.357 -4.403 1.00 0.00 H new ATOM 0 HD12 ILE I 1 4.575 -11.592 -5.874 1.00 0.00 H new ATOM 0 HD13 ILE I 1 4.008 -10.583 -4.523 1.00 0.00 H new ATOM 530 N HIS I 2 -0.132 -8.400 -8.191 1.00 0.00 N ATOM 531 CA HIS I 2 -0.307 -7.235 -9.031 1.00 0.00 C ATOM 532 C HIS I 2 -0.088 -5.970 -8.211 1.00 0.00 C ATOM 533 O HIS I 2 -0.800 -5.729 -7.237 1.00 0.00 O ATOM 534 CB HIS I 2 -1.761 -7.258 -9.546 1.00 0.00 C ATOM 535 CG HIS I 2 -2.119 -5.947 -10.194 1.00 0.00 C ATOM 536 ND1 HIS I 2 -3.391 -5.355 -10.092 1.00 0.00 N ATOM 537 CD2 HIS I 2 -1.387 -5.119 -10.988 1.00 0.00 C ATOM 538 CE1 HIS I 2 -3.366 -4.229 -10.813 1.00 0.00 C ATOM 539 NE2 HIS I 2 -2.181 -4.030 -11.383 1.00 0.00 N ATOM 0 H HIS I 2 -0.831 -8.510 -7.457 1.00 0.00 H new ATOM 0 HA HIS I 2 0.405 -7.246 -9.856 1.00 0.00 H new ATOM 0 HB2 HIS I 2 -1.885 -8.069 -10.263 1.00 0.00 H new ATOM 0 HB3 HIS I 2 -2.442 -7.458 -8.718 1.00 0.00 H new ATOM 0 HD1 HIS I 2 -4.186 -5.718 -9.565 1.00 0.00 H new ATOM 0 HD2 HIS I 2 -0.356 -5.275 -11.270 1.00 0.00 H new ATOM 0 HE1 HIS I 2 -4.208 -3.561 -10.920 1.00 0.00 H new ATOM 0 HE2 HIS I 2 -1.907 -3.251 -11.981 1.00 0.00 H new ATOM 546 N VAL I 3 0.857 -5.135 -8.645 1.00 0.00 N ATOM 547 CA VAL I 3 1.109 -3.856 -7.979 1.00 0.00 C ATOM 548 C VAL I 3 0.869 -2.714 -8.951 1.00 0.00 C ATOM 549 O VAL I 3 1.516 -2.661 -9.998 1.00 0.00 O ATOM 550 CB VAL I 3 2.541 -3.794 -7.464 1.00 0.00 C ATOM 551 CG1 VAL I 3 2.762 -2.446 -6.775 1.00 0.00 C ATOM 552 CG2 VAL I 3 2.772 -4.933 -6.470 1.00 0.00 C ATOM 0 H VAL I 3 1.457 -5.319 -9.449 1.00 0.00 H new ATOM 0 HA VAL I 3 0.427 -3.765 -7.133 1.00 0.00 H new ATOM 0 HB VAL I 3 3.242 -3.898 -8.292 1.00 0.00 H new ATOM 0 HG11 VAL I 3 3.785 -2.391 -6.402 1.00 0.00 H new ATOM 0 HG12 VAL I 3 2.592 -1.640 -7.489 1.00 0.00 H new ATOM 0 HG13 VAL I 3 2.066 -2.345 -5.942 1.00 0.00 H new ATOM 0 HG21 VAL I 3 3.796 -4.891 -6.100 1.00 0.00 H new ATOM 0 HG22 VAL I 3 2.080 -4.832 -5.634 1.00 0.00 H new ATOM 0 HG23 VAL I 3 2.605 -5.889 -6.967 1.00 0.00 H new ATOM 562 N HIS I 4 -0.025 -1.781 -8.611 1.00 0.00 N ATOM 563 CA HIS I 4 -0.276 -0.651 -9.474 1.00 0.00 C ATOM 564 C HIS I 4 0.077 0.662 -8.784 1.00 0.00 C ATOM 565 O HIS I 4 -0.329 0.901 -7.648 1.00 0.00 O ATOM 566 CB HIS I 4 -1.746 -0.692 -9.923 1.00 0.00 C ATOM 567 CG HIS I 4 -1.910 0.082 -11.202 1.00 0.00 C ATOM 568 ND1 HIS I 4 -2.244 -0.497 -12.442 1.00 0.00 N ATOM 569 CD2 HIS I 4 -1.798 1.408 -11.430 1.00 0.00 C ATOM 570 CE1 HIS I 4 -2.320 0.498 -13.337 1.00 0.00 C ATOM 571 NE2 HIS I 4 -2.059 1.683 -12.775 1.00 0.00 N ATOM 0 H HIS I 4 -0.575 -1.795 -7.752 1.00 0.00 H new ATOM 0 HA HIS I 4 0.364 -0.711 -10.355 1.00 0.00 H new ATOM 0 HB2 HIS I 4 -2.062 -1.725 -10.069 1.00 0.00 H new ATOM 0 HB3 HIS I 4 -2.385 -0.270 -9.147 1.00 0.00 H new ATOM 0 HD2 HIS I 4 -1.544 2.146 -10.684 1.00 0.00 H new ATOM 0 HE1 HIS I 4 -2.562 0.360 -14.381 1.00 0.00 H new ATOM 0 HE2 HIS I 4 -2.052 2.595 -13.232 1.00 0.00 H new ATOM 579 N LEU I 5 0.839 1.510 -9.486 1.00 0.00 N ATOM 580 CA LEU I 5 1.259 2.808 -8.946 1.00 0.00 C ATOM 581 C LEU I 5 0.587 3.945 -9.702 1.00 0.00 C ATOM 582 O LEU I 5 0.902 4.203 -10.864 1.00 0.00 O ATOM 583 CB LEU I 5 2.787 2.932 -9.070 1.00 0.00 C ATOM 584 CG LEU I 5 3.469 2.371 -7.823 1.00 0.00 C ATOM 585 CD1 LEU I 5 3.018 0.924 -7.603 1.00 0.00 C ATOM 586 CD2 LEU I 5 4.995 2.421 -8.007 1.00 0.00 C ATOM 0 H LEU I 5 1.177 1.320 -10.429 1.00 0.00 H new ATOM 0 HA LEU I 5 0.965 2.871 -7.898 1.00 0.00 H new ATOM 0 HB2 LEU I 5 3.131 2.395 -9.954 1.00 0.00 H new ATOM 0 HB3 LEU I 5 3.064 3.978 -9.205 1.00 0.00 H new ATOM 0 HG LEU I 5 3.193 2.969 -6.954 1.00 0.00 H new ATOM 0 HD11 LEU I 5 3.504 0.523 -6.714 1.00 0.00 H new ATOM 0 HD12 LEU I 5 1.937 0.896 -7.469 1.00 0.00 H new ATOM 0 HD13 LEU I 5 3.292 0.322 -8.469 1.00 0.00 H new ATOM 0 HD21 LEU I 5 5.482 2.021 -7.118 1.00 0.00 H new ATOM 0 HD22 LEU I 5 5.277 1.824 -8.875 1.00 0.00 H new ATOM 0 HD23 LEU I 5 5.309 3.453 -8.159 1.00 0.00 H new ATOM 598 N GLN I 6 -0.321 4.645 -9.019 1.00 0.00 N ATOM 599 CA GLN I 6 -1.017 5.781 -9.615 1.00 0.00 C ATOM 600 C GLN I 6 -0.908 6.974 -8.681 1.00 0.00 C ATOM 601 O GLN I 6 -1.532 7.018 -7.614 1.00 0.00 O ATOM 602 CB GLN I 6 -2.482 5.422 -9.871 1.00 0.00 C ATOM 603 CG GLN I 6 -3.176 6.584 -10.580 1.00 0.00 C ATOM 604 CD GLN I 6 -4.652 6.271 -10.780 1.00 0.00 C ATOM 605 OE1 GLN I 6 -5.407 6.128 -9.814 1.00 0.00 O ATOM 606 NE2 GLN I 6 -5.100 6.126 -11.997 1.00 0.00 N ATOM 0 H GLN I 6 -0.589 4.444 -8.056 1.00 0.00 H new ATOM 0 HA GLN I 6 -0.560 6.035 -10.571 1.00 0.00 H new ATOM 0 HB2 GLN I 6 -2.545 4.521 -10.480 1.00 0.00 H new ATOM 0 HB3 GLN I 6 -2.984 5.205 -8.928 1.00 0.00 H new ATOM 0 HG2 GLN I 6 -3.066 7.496 -9.993 1.00 0.00 H new ATOM 0 HG3 GLN I 6 -2.702 6.767 -11.544 1.00 0.00 H new ATOM 0 HE21 GLN I 6 -4.470 6.246 -12.790 1.00 0.00 H new ATOM 0 HE22 GLN I 6 -6.080 5.893 -12.155 1.00 0.00 H new ATOM 615 N ILE I 7 -0.088 7.942 -9.079 1.00 0.00 N ATOM 616 CA ILE I 7 0.126 9.125 -8.253 1.00 0.00 C ATOM 617 C ILE I 7 0.291 10.366 -9.126 1.00 0.00 C ATOM 618 O ILE I 7 -0.067 10.299 -10.291 1.00 0.00 O ATOM 619 CB ILE I 7 1.376 8.897 -7.386 1.00 0.00 C ATOM 620 CG1 ILE I 7 2.634 8.812 -8.270 1.00 0.00 C ATOM 621 CG2 ILE I 7 1.232 7.567 -6.632 1.00 0.00 C ATOM 622 CD1 ILE I 7 3.900 8.718 -7.402 1.00 0.00 C ATOM 623 OXT ILE I 7 0.771 11.365 -8.617 1.00 0.00 O ATOM 0 H ILE I 7 0.433 7.932 -9.956 1.00 0.00 H new ATOM 0 HA ILE I 7 -0.739 9.288 -7.611 1.00 0.00 H new ATOM 0 HB ILE I 7 1.472 9.730 -6.689 1.00 0.00 H new ATOM 0 HG12 ILE I 7 2.568 7.941 -8.922 1.00 0.00 H new ATOM 0 HG13 ILE I 7 2.692 9.689 -8.914 1.00 0.00 H new ATOM 0 HG21 ILE I 7 2.116 7.401 -6.016 1.00 0.00 H new ATOM 0 HG22 ILE I 7 0.348 7.603 -5.996 1.00 0.00 H new ATOM 0 HG23 ILE I 7 1.130 6.752 -7.348 1.00 0.00 H new ATOM 0 HD11 ILE I 7 4.778 8.659 -8.045 1.00 0.00 H new ATOM 0 HD12 ILE I 7 3.973 9.602 -6.768 1.00 0.00 H new ATOM 0 HD13 ILE I 7 3.847 7.827 -6.777 1.00 0.00 H new ATOM 636 N ILE K 1 4.388 -11.854 -11.824 1.00 0.00 N ATOM 637 CA ILE K 1 4.304 -10.570 -11.068 1.00 0.00 C ATOM 638 C ILE K 1 4.187 -9.422 -12.055 1.00 0.00 C ATOM 639 O ILE K 1 5.079 -9.221 -12.881 1.00 0.00 O ATOM 640 CB ILE K 1 5.575 -10.391 -10.228 1.00 0.00 C ATOM 641 CG1 ILE K 1 5.675 -11.536 -9.220 1.00 0.00 C ATOM 642 CG2 ILE K 1 5.518 -9.060 -9.478 1.00 0.00 C ATOM 643 CD1 ILE K 1 7.047 -11.505 -8.550 1.00 0.00 C ATOM 0 H1 ILE K 1 3.987 -12.622 -11.249 1.00 0.00 H new ATOM 0 H2 ILE K 1 3.852 -11.770 -12.711 1.00 0.00 H new ATOM 0 H3 ILE K 1 5.383 -12.066 -12.039 1.00 0.00 H new ATOM 0 HA ILE K 1 3.434 -10.583 -10.412 1.00 0.00 H new ATOM 0 HB ILE K 1 6.446 -10.396 -10.883 1.00 0.00 H new ATOM 0 HG12 ILE K 1 4.890 -11.444 -8.470 1.00 0.00 H new ATOM 0 HG13 ILE K 1 5.525 -12.492 -9.723 1.00 0.00 H new ATOM 0 HG21 ILE K 1 6.423 -8.938 -8.883 1.00 0.00 H new ATOM 0 HG22 ILE K 1 5.442 -8.242 -10.194 1.00 0.00 H new ATOM 0 HG23 ILE K 1 4.648 -9.049 -8.821 1.00 0.00 H new ATOM 0 HD11 ILE K 1 7.119 -12.321 -7.831 1.00 0.00 H new ATOM 0 HD12 ILE K 1 7.824 -11.618 -9.306 1.00 0.00 H new ATOM 0 HD13 ILE K 1 7.178 -10.554 -8.034 1.00 0.00 H new ATOM 657 N HIS K 2 3.102 -8.646 -11.964 1.00 0.00 N ATOM 658 CA HIS K 2 2.932 -7.502 -12.865 1.00 0.00 C ATOM 659 C HIS K 2 3.091 -6.212 -12.068 1.00 0.00 C ATOM 660 O HIS K 2 2.364 -5.977 -11.102 1.00 0.00 O ATOM 661 CB HIS K 2 1.521 -7.539 -13.495 1.00 0.00 C ATOM 662 CG HIS K 2 1.510 -8.385 -14.749 1.00 0.00 C ATOM 663 ND1 HIS K 2 1.212 -7.850 -15.997 1.00 0.00 N ATOM 664 CD2 HIS K 2 1.728 -9.726 -14.960 1.00 0.00 C ATOM 665 CE1 HIS K 2 1.256 -8.857 -16.890 1.00 0.00 C ATOM 666 NE2 HIS K 2 1.566 -10.021 -16.311 1.00 0.00 N ATOM 0 H HIS K 2 2.346 -8.783 -11.293 1.00 0.00 H new ATOM 0 HA HIS K 2 3.682 -7.547 -13.655 1.00 0.00 H new ATOM 0 HB2 HIS K 2 0.808 -7.940 -12.775 1.00 0.00 H new ATOM 0 HB3 HIS K 2 1.198 -6.525 -13.733 1.00 0.00 H new ATOM 0 HD2 HIS K 2 1.986 -10.442 -14.194 1.00 0.00 H new ATOM 0 HE1 HIS K 2 1.064 -8.738 -17.946 1.00 0.00 H new ATOM 0 HE2 HIS K 2 1.663 -10.931 -16.762 1.00 0.00 H new ATOM 674 N VAL K 3 4.018 -5.359 -12.505 1.00 0.00 N ATOM 675 CA VAL K 3 4.238 -4.066 -11.858 1.00 0.00 C ATOM 676 C VAL K 3 3.884 -2.953 -12.842 1.00 0.00 C ATOM 677 O VAL K 3 4.413 -2.930 -13.954 1.00 0.00 O ATOM 678 CB VAL K 3 5.701 -3.941 -11.428 1.00 0.00 C ATOM 679 CG1 VAL K 3 5.907 -2.593 -10.741 1.00 0.00 C ATOM 680 CG2 VAL K 3 6.058 -5.077 -10.458 1.00 0.00 C ATOM 0 H VAL K 3 4.627 -5.540 -13.303 1.00 0.00 H new ATOM 0 HA VAL K 3 3.607 -3.985 -10.973 1.00 0.00 H new ATOM 0 HB VAL K 3 6.346 -4.008 -12.304 1.00 0.00 H new ATOM 0 HG11 VAL K 3 6.948 -2.497 -10.432 1.00 0.00 H new ATOM 0 HG12 VAL K 3 5.659 -1.790 -11.435 1.00 0.00 H new ATOM 0 HG13 VAL K 3 5.261 -2.528 -9.865 1.00 0.00 H new ATOM 0 HG21 VAL K 3 7.101 -4.983 -10.155 1.00 0.00 H new ATOM 0 HG22 VAL K 3 5.418 -5.018 -9.578 1.00 0.00 H new ATOM 0 HG23 VAL K 3 5.909 -6.037 -10.952 1.00 0.00 H new ATOM 690 N HIS K 4 2.999 -2.033 -12.450 1.00 0.00 N ATOM 691 CA HIS K 4 2.610 -0.925 -13.343 1.00 0.00 C ATOM 692 C HIS K 4 2.996 0.424 -12.728 1.00 0.00 C ATOM 693 O HIS K 4 2.674 0.692 -11.570 1.00 0.00 O ATOM 694 CB HIS K 4 1.081 -0.982 -13.606 1.00 0.00 C ATOM 695 CG HIS K 4 0.675 -2.306 -14.257 1.00 0.00 C ATOM 696 ND1 HIS K 4 -0.510 -2.983 -13.930 1.00 0.00 N ATOM 697 CD2 HIS K 4 1.282 -3.087 -15.221 1.00 0.00 C ATOM 698 CE1 HIS K 4 -0.562 -4.100 -14.679 1.00 0.00 C ATOM 699 NE2 HIS K 4 0.502 -4.214 -15.481 1.00 0.00 N ATOM 0 H HIS K 4 2.542 -2.027 -11.538 1.00 0.00 H new ATOM 0 HA HIS K 4 3.140 -1.030 -14.289 1.00 0.00 H new ATOM 0 HB2 HIS K 4 0.544 -0.857 -12.666 1.00 0.00 H new ATOM 0 HB3 HIS K 4 0.790 -0.153 -14.252 1.00 0.00 H new ATOM 0 HD2 HIS K 4 2.222 -2.859 -15.702 1.00 0.00 H new ATOM 0 HE1 HIS K 4 -1.367 -4.819 -14.637 1.00 0.00 H new ATOM 0 HE2 HIS K 4 0.701 -4.965 -16.142 1.00 0.00 H new ATOM 706 N LEU K 5 3.676 1.278 -13.509 1.00 0.00 N ATOM 707 CA LEU K 5 4.094 2.611 -13.029 1.00 0.00 C ATOM 708 C LEU K 5 3.331 3.707 -13.767 1.00 0.00 C ATOM 709 O LEU K 5 3.392 3.802 -14.993 1.00 0.00 O ATOM 710 CB LEU K 5 5.610 2.798 -13.247 1.00 0.00 C ATOM 711 CG LEU K 5 6.395 2.240 -12.051 1.00 0.00 C ATOM 712 CD1 LEU K 5 6.034 0.768 -11.823 1.00 0.00 C ATOM 713 CD2 LEU K 5 7.899 2.369 -12.330 1.00 0.00 C ATOM 0 H LEU K 5 3.948 1.074 -14.471 1.00 0.00 H new ATOM 0 HA LEU K 5 3.870 2.681 -11.964 1.00 0.00 H new ATOM 0 HB2 LEU K 5 5.918 2.290 -14.161 1.00 0.00 H new ATOM 0 HB3 LEU K 5 5.837 3.856 -13.378 1.00 0.00 H new ATOM 0 HG LEU K 5 6.138 2.806 -11.156 1.00 0.00 H new ATOM 0 HD11 LEU K 5 6.597 0.383 -10.973 1.00 0.00 H new ATOM 0 HD12 LEU K 5 4.966 0.682 -11.621 1.00 0.00 H new ATOM 0 HD13 LEU K 5 6.282 0.190 -12.714 1.00 0.00 H new ATOM 0 HD21 LEU K 5 8.461 1.974 -11.484 1.00 0.00 H new ATOM 0 HD22 LEU K 5 8.152 1.806 -13.228 1.00 0.00 H new ATOM 0 HD23 LEU K 5 8.153 3.419 -12.476 1.00 0.00 H new ATOM 725 N GLN K 6 2.624 4.546 -13.007 1.00 0.00 N ATOM 726 CA GLN K 6 1.866 5.649 -13.593 1.00 0.00 C ATOM 727 C GLN K 6 1.955 6.871 -12.680 1.00 0.00 C ATOM 728 O GLN K 6 1.387 6.889 -11.581 1.00 0.00 O ATOM 729 CB GLN K 6 0.404 5.225 -13.788 1.00 0.00 C ATOM 730 CG GLN K 6 -0.363 6.312 -14.547 1.00 0.00 C ATOM 731 CD GLN K 6 -1.840 5.932 -14.664 1.00 0.00 C ATOM 732 OE1 GLN K 6 -2.548 5.827 -13.658 1.00 0.00 O ATOM 733 NE2 GLN K 6 -2.347 5.701 -15.845 1.00 0.00 N ATOM 0 H GLN K 6 2.562 4.482 -11.991 1.00 0.00 H new ATOM 0 HA GLN K 6 2.285 5.907 -14.565 1.00 0.00 H new ATOM 0 HB2 GLN K 6 0.360 4.286 -14.339 1.00 0.00 H new ATOM 0 HB3 GLN K 6 -0.064 5.048 -12.819 1.00 0.00 H new ATOM 0 HG2 GLN K 6 -0.265 7.266 -14.028 1.00 0.00 H new ATOM 0 HG3 GLN K 6 0.066 6.444 -15.540 1.00 0.00 H new ATOM 0 HE21 GLN K 6 -1.763 5.788 -16.677 1.00 0.00 H new ATOM 0 HE22 GLN K 6 -3.327 5.434 -15.936 1.00 0.00 H new ATOM 742 N ILE K 7 2.689 7.889 -13.135 1.00 0.00 N ATOM 743 CA ILE K 7 2.872 9.110 -12.348 1.00 0.00 C ATOM 744 C ILE K 7 2.729 10.346 -13.240 1.00 0.00 C ATOM 745 O ILE K 7 2.459 11.408 -12.707 1.00 0.00 O ATOM 746 CB ILE K 7 4.260 9.080 -11.661 1.00 0.00 C ATOM 747 CG1 ILE K 7 5.367 9.578 -12.613 1.00 0.00 C ATOM 748 CG2 ILE K 7 4.585 7.647 -11.230 1.00 0.00 C ATOM 749 CD1 ILE K 7 6.747 9.386 -11.967 1.00 0.00 C ATOM 750 OXT ILE K 7 2.894 10.207 -14.442 1.00 0.00 O ATOM 0 H ILE K 7 3.163 7.893 -14.038 1.00 0.00 H new ATOM 0 HA ILE K 7 2.102 9.162 -11.579 1.00 0.00 H new ATOM 0 HB ILE K 7 4.222 9.740 -10.794 1.00 0.00 H new ATOM 0 HG12 ILE K 7 5.319 9.032 -13.555 1.00 0.00 H new ATOM 0 HG13 ILE K 7 5.210 10.631 -12.846 1.00 0.00 H new ATOM 0 HG21 ILE K 7 5.562 7.625 -10.746 1.00 0.00 H new ATOM 0 HG22 ILE K 7 3.826 7.296 -10.531 1.00 0.00 H new ATOM 0 HG23 ILE K 7 4.599 6.998 -12.106 1.00 0.00 H new ATOM 0 HD11 ILE K 7 7.520 9.741 -12.648 1.00 0.00 H new ATOM 0 HD12 ILE K 7 6.795 9.952 -11.037 1.00 0.00 H new ATOM 0 HD13 ILE K 7 6.906 8.328 -11.757 1.00 0.00 H new ATOM 763 N ILE O 1 -3.453 11.270 12.718 1.00 0.00 N ATOM 764 CA ILE O 1 -4.239 10.050 13.055 1.00 0.00 C ATOM 765 C ILE O 1 -3.394 8.816 12.754 1.00 0.00 C ATOM 766 O ILE O 1 -2.876 8.668 11.646 1.00 0.00 O ATOM 767 CB ILE O 1 -5.522 10.021 12.209 1.00 0.00 C ATOM 768 CG1 ILE O 1 -6.358 11.266 12.518 1.00 0.00 C ATOM 769 CG2 ILE O 1 -6.331 8.769 12.552 1.00 0.00 C ATOM 770 CD1 ILE O 1 -7.496 11.385 11.499 1.00 0.00 C ATOM 0 H1 ILE O 1 -3.766 12.061 13.316 1.00 0.00 H new ATOM 0 H2 ILE O 1 -2.443 11.089 12.885 1.00 0.00 H new ATOM 0 H3 ILE O 1 -3.601 11.513 11.718 1.00 0.00 H new ATOM 0 HA ILE O 1 -4.507 10.060 14.112 1.00 0.00 H new ATOM 0 HB ILE O 1 -5.262 10.006 11.151 1.00 0.00 H new ATOM 0 HG12 ILE O 1 -6.765 11.202 13.527 1.00 0.00 H new ATOM 0 HG13 ILE O 1 -5.730 12.156 12.483 1.00 0.00 H new ATOM 0 HG21 ILE O 1 -7.241 8.748 11.952 1.00 0.00 H new ATOM 0 HG22 ILE O 1 -5.735 7.881 12.339 1.00 0.00 H new ATOM 0 HG23 ILE O 1 -6.594 8.784 13.610 1.00 0.00 H new ATOM 0 HD11 ILE O 1 -8.091 12.271 11.720 1.00 0.00 H new ATOM 0 HD12 ILE O 1 -7.079 11.469 10.496 1.00 0.00 H new ATOM 0 HD13 ILE O 1 -8.129 10.500 11.556 1.00 0.00 H new ATOM 784 N HIS O 2 -3.251 7.926 13.736 1.00 0.00 N ATOM 785 CA HIS O 2 -2.485 6.723 13.538 1.00 0.00 C ATOM 786 C HIS O 2 -3.413 5.516 13.608 1.00 0.00 C ATOM 787 O HIS O 2 -4.063 5.289 14.630 1.00 0.00 O ATOM 788 CB HIS O 2 -1.462 6.666 14.693 1.00 0.00 C ATOM 789 CG HIS O 2 -0.841 5.305 14.806 1.00 0.00 C ATOM 790 ND1 HIS O 2 -0.501 4.726 16.038 1.00 0.00 N ATOM 791 CD2 HIS O 2 -0.458 4.415 13.854 1.00 0.00 C ATOM 792 CE1 HIS O 2 0.061 3.538 15.779 1.00 0.00 C ATOM 793 NE2 HIS O 2 0.118 3.292 14.471 1.00 0.00 N ATOM 0 H HIS O 2 -3.657 8.025 14.666 1.00 0.00 H new ATOM 0 HA HIS O 2 -1.987 6.716 12.568 1.00 0.00 H new ATOM 0 HB2 HIS O 2 -0.683 7.411 14.529 1.00 0.00 H new ATOM 0 HB3 HIS O 2 -1.955 6.922 15.631 1.00 0.00 H new ATOM 0 HD1 HIS O 2 -0.654 5.134 16.960 1.00 0.00 H new ATOM 0 HD2 HIS O 2 -0.578 4.550 12.789 1.00 0.00 H new ATOM 0 HE1 HIS O 2 0.424 2.862 16.539 1.00 0.00 H new ATOM 800 N VAL O 3 -3.438 4.717 12.540 1.00 0.00 N ATOM 801 CA VAL O 3 -4.253 3.501 12.521 1.00 0.00 C ATOM 802 C VAL O 3 -3.358 2.284 12.340 1.00 0.00 C ATOM 803 O VAL O 3 -2.634 2.203 11.347 1.00 0.00 O ATOM 804 CB VAL O 3 -5.277 3.560 11.387 1.00 0.00 C ATOM 805 CG1 VAL O 3 -6.122 2.288 11.421 1.00 0.00 C ATOM 806 CG2 VAL O 3 -6.177 4.787 11.562 1.00 0.00 C ATOM 0 H VAL O 3 -2.909 4.887 11.685 1.00 0.00 H new ATOM 0 HA VAL O 3 -4.785 3.423 13.469 1.00 0.00 H new ATOM 0 HB VAL O 3 -4.763 3.637 10.429 1.00 0.00 H new ATOM 0 HG11 VAL O 3 -6.857 2.318 10.617 1.00 0.00 H new ATOM 0 HG12 VAL O 3 -5.477 1.419 11.291 1.00 0.00 H new ATOM 0 HG13 VAL O 3 -6.636 2.218 12.380 1.00 0.00 H new ATOM 0 HG21 VAL O 3 -6.904 4.823 10.751 1.00 0.00 H new ATOM 0 HG22 VAL O 3 -6.700 4.721 12.516 1.00 0.00 H new ATOM 0 HG23 VAL O 3 -5.568 5.691 11.544 1.00 0.00 H new ATOM 816 N HIS O 4 -3.414 1.325 13.267 1.00 0.00 N ATOM 817 CA HIS O 4 -2.621 0.127 13.150 1.00 0.00 C ATOM 818 C HIS O 4 -3.507 -1.113 13.044 1.00 0.00 C ATOM 819 O HIS O 4 -4.434 -1.297 13.834 1.00 0.00 O ATOM 820 CB HIS O 4 -1.665 0.055 14.358 1.00 0.00 C ATOM 821 CG HIS O 4 -0.464 -0.781 14.012 1.00 0.00 C ATOM 822 ND1 HIS O 4 0.848 -0.279 13.923 1.00 0.00 N ATOM 823 CD2 HIS O 4 -0.377 -2.102 13.739 1.00 0.00 C ATOM 824 CE1 HIS O 4 1.646 -1.311 13.608 1.00 0.00 C ATOM 825 NE2 HIS O 4 0.953 -2.447 13.486 1.00 0.00 N ATOM 0 H HIS O 4 -4.002 1.366 14.099 1.00 0.00 H new ATOM 0 HA HIS O 4 -2.033 0.158 12.233 1.00 0.00 H new ATOM 0 HB2 HIS O 4 -1.350 1.059 14.644 1.00 0.00 H new ATOM 0 HB3 HIS O 4 -2.182 -0.373 15.217 1.00 0.00 H new ATOM 0 HD2 HIS O 4 -1.211 -2.788 13.719 1.00 0.00 H new ATOM 0 HE1 HIS O 4 2.714 -1.233 13.470 1.00 0.00 H new ATOM 0 HE2 HIS O 4 1.318 -3.371 13.256 1.00 0.00 H new ATOM 833 N LEU O 5 -3.215 -1.960 12.054 1.00 0.00 N ATOM 834 CA LEU O 5 -3.979 -3.194 11.827 1.00 0.00 C ATOM 835 C LEU O 5 -3.104 -4.404 12.122 1.00 0.00 C ATOM 836 O LEU O 5 -2.200 -4.722 11.351 1.00 0.00 O ATOM 837 CB LEU O 5 -4.433 -3.238 10.357 1.00 0.00 C ATOM 838 CG LEU O 5 -5.781 -2.535 10.185 1.00 0.00 C ATOM 839 CD1 LEU O 5 -5.699 -1.118 10.754 1.00 0.00 C ATOM 840 CD2 LEU O 5 -6.139 -2.474 8.688 1.00 0.00 C ATOM 0 H LEU O 5 -2.452 -1.815 11.393 1.00 0.00 H new ATOM 0 HA LEU O 5 -4.847 -3.212 12.486 1.00 0.00 H new ATOM 0 HB2 LEU O 5 -3.685 -2.759 9.726 1.00 0.00 H new ATOM 0 HB3 LEU O 5 -4.513 -4.274 10.027 1.00 0.00 H new ATOM 0 HG LEU O 5 -6.551 -3.091 10.720 1.00 0.00 H new ATOM 0 HD11 LEU O 5 -6.661 -0.620 10.630 1.00 0.00 H new ATOM 0 HD12 LEU O 5 -5.449 -1.165 11.814 1.00 0.00 H new ATOM 0 HD13 LEU O 5 -4.929 -0.557 10.224 1.00 0.00 H new ATOM 0 HD21 LEU O 5 -7.099 -1.973 8.564 1.00 0.00 H new ATOM 0 HD22 LEU O 5 -5.369 -1.920 8.152 1.00 0.00 H new ATOM 0 HD23 LEU O 5 -6.203 -3.486 8.288 1.00 0.00 H new ATOM 852 N GLN O 6 -3.394 -5.090 13.222 1.00 0.00 N ATOM 853 CA GLN O 6 -2.645 -6.287 13.593 1.00 0.00 C ATOM 854 C GLN O 6 -3.630 -7.428 13.772 1.00 0.00 C ATOM 855 O GLN O 6 -4.407 -7.444 14.728 1.00 0.00 O ATOM 856 CB GLN O 6 -1.861 -6.040 14.882 1.00 0.00 C ATOM 857 CG GLN O 6 -0.994 -7.261 15.191 1.00 0.00 C ATOM 858 CD GLN O 6 -0.275 -7.066 16.516 1.00 0.00 C ATOM 859 OE1 GLN O 6 -0.914 -6.946 17.562 1.00 0.00 O ATOM 860 NE2 GLN O 6 1.029 -7.009 16.529 1.00 0.00 N ATOM 0 H GLN O 6 -4.140 -4.840 13.871 1.00 0.00 H new ATOM 0 HA GLN O 6 -1.928 -6.541 12.812 1.00 0.00 H new ATOM 0 HB2 GLN O 6 -1.236 -5.154 14.776 1.00 0.00 H new ATOM 0 HB3 GLN O 6 -2.547 -5.849 15.707 1.00 0.00 H new ATOM 0 HG2 GLN O 6 -1.614 -8.156 15.233 1.00 0.00 H new ATOM 0 HG3 GLN O 6 -0.268 -7.413 14.393 1.00 0.00 H new ATOM 0 HE21 GLN O 6 1.553 -7.109 15.659 1.00 0.00 H new ATOM 0 HE22 GLN O 6 1.524 -6.864 17.409 1.00 0.00 H new ATOM 869 N ILE O 7 -3.617 -8.374 12.833 1.00 0.00 N ATOM 870 CA ILE O 7 -4.550 -9.503 12.898 1.00 0.00 C ATOM 871 C ILE O 7 -3.897 -10.779 12.375 1.00 0.00 C ATOM 872 O ILE O 7 -2.682 -10.798 12.262 1.00 0.00 O ATOM 873 CB ILE O 7 -5.819 -9.175 12.083 1.00 0.00 C ATOM 874 CG1 ILE O 7 -5.463 -8.977 10.598 1.00 0.00 C ATOM 875 CG2 ILE O 7 -6.441 -7.887 12.624 1.00 0.00 C ATOM 876 CD1 ILE O 7 -6.741 -8.839 9.752 1.00 0.00 C ATOM 877 OXT ILE O 7 -4.621 -11.720 12.093 1.00 0.00 O ATOM 0 H ILE O 7 -2.985 -8.385 12.033 1.00 0.00 H new ATOM 0 HA ILE O 7 -4.826 -9.670 13.939 1.00 0.00 H new ATOM 0 HB ILE O 7 -6.524 -10.002 12.173 1.00 0.00 H new ATOM 0 HG12 ILE O 7 -4.845 -8.087 10.482 1.00 0.00 H new ATOM 0 HG13 ILE O 7 -4.874 -9.823 10.243 1.00 0.00 H new ATOM 0 HG21 ILE O 7 -7.338 -7.649 12.053 1.00 0.00 H new ATOM 0 HG22 ILE O 7 -6.704 -8.023 13.673 1.00 0.00 H new ATOM 0 HG23 ILE O 7 -5.725 -7.070 12.532 1.00 0.00 H new ATOM 0 HD11 ILE O 7 -6.471 -8.700 8.705 1.00 0.00 H new ATOM 0 HD12 ILE O 7 -7.344 -9.741 9.854 1.00 0.00 H new ATOM 0 HD13 ILE O 7 -7.314 -7.978 10.096 1.00 0.00 H new ATOM 890 N ILE Q 1 -1.007 11.508 8.634 1.00 0.00 N ATOM 891 CA ILE Q 1 -1.737 10.256 8.986 1.00 0.00 C ATOM 892 C ILE Q 1 -0.836 9.060 8.700 1.00 0.00 C ATOM 893 O ILE Q 1 -0.331 8.902 7.584 1.00 0.00 O ATOM 894 CB ILE Q 1 -3.019 10.156 8.141 1.00 0.00 C ATOM 895 CG1 ILE Q 1 -3.908 11.366 8.440 1.00 0.00 C ATOM 896 CG2 ILE Q 1 -3.775 8.876 8.501 1.00 0.00 C ATOM 897 CD1 ILE Q 1 -5.062 11.416 7.438 1.00 0.00 C ATOM 0 H1 ILE Q 1 -1.380 12.298 9.198 1.00 0.00 H new ATOM 0 H2 ILE Q 1 0.006 11.387 8.835 1.00 0.00 H new ATOM 0 H3 ILE Q 1 -1.137 11.713 7.623 1.00 0.00 H new ATOM 0 HA ILE Q 1 -2.006 10.267 10.042 1.00 0.00 H new ATOM 0 HB ILE Q 1 -2.758 10.136 7.083 1.00 0.00 H new ATOM 0 HG12 ILE Q 1 -4.298 11.301 9.456 1.00 0.00 H new ATOM 0 HG13 ILE Q 1 -3.322 12.283 8.381 1.00 0.00 H new ATOM 0 HG21 ILE Q 1 -4.682 8.808 7.901 1.00 0.00 H new ATOM 0 HG22 ILE Q 1 -3.142 8.011 8.301 1.00 0.00 H new ATOM 0 HG23 ILE Q 1 -4.040 8.895 9.558 1.00 0.00 H new ATOM 0 HD11 ILE Q 1 -5.693 12.278 7.653 1.00 0.00 H new ATOM 0 HD12 ILE Q 1 -4.663 11.501 6.427 1.00 0.00 H new ATOM 0 HD13 ILE Q 1 -5.654 10.504 7.519 1.00 0.00 H new ATOM 911 N HIS Q 2 -0.633 8.205 9.702 1.00 0.00 N ATOM 912 CA HIS Q 2 0.194 7.013 9.498 1.00 0.00 C ATOM 913 C HIS Q 2 -0.705 5.784 9.560 1.00 0.00 C ATOM 914 O HIS Q 2 -1.368 5.548 10.571 1.00 0.00 O ATOM 915 CB HIS Q 2 1.263 6.924 10.610 1.00 0.00 C ATOM 916 CG HIS Q 2 2.498 7.715 10.238 1.00 0.00 C ATOM 917 ND1 HIS Q 2 3.745 7.119 10.096 1.00 0.00 N ATOM 918 CD2 HIS Q 2 2.702 9.056 10.002 1.00 0.00 C ATOM 919 CE1 HIS Q 2 4.628 8.089 9.791 1.00 0.00 C ATOM 920 NE2 HIS Q 2 4.044 9.287 9.721 1.00 0.00 N ATOM 0 H HIS Q 2 -1.018 8.309 10.641 1.00 0.00 H new ATOM 0 HA HIS Q 2 0.692 7.067 8.530 1.00 0.00 H new ATOM 0 HB2 HIS Q 2 0.852 7.303 11.546 1.00 0.00 H new ATOM 0 HB3 HIS Q 2 1.532 5.881 10.779 1.00 0.00 H new ATOM 0 HD2 HIS Q 2 1.934 9.815 10.031 1.00 0.00 H new ATOM 0 HE1 HIS Q 2 5.681 7.918 9.623 1.00 0.00 H new ATOM 0 HE2 HIS Q 2 4.487 10.180 9.507 1.00 0.00 H new ATOM 928 N VAL Q 3 -0.693 4.975 8.499 1.00 0.00 N ATOM 929 CA VAL Q 3 -1.478 3.741 8.475 1.00 0.00 C ATOM 930 C VAL Q 3 -0.530 2.548 8.386 1.00 0.00 C ATOM 931 O VAL Q 3 0.306 2.486 7.478 1.00 0.00 O ATOM 932 CB VAL Q 3 -2.441 3.746 7.286 1.00 0.00 C ATOM 933 CG1 VAL Q 3 -3.274 2.467 7.318 1.00 0.00 C ATOM 934 CG2 VAL Q 3 -3.365 4.972 7.360 1.00 0.00 C ATOM 0 H VAL Q 3 -0.153 5.151 7.652 1.00 0.00 H new ATOM 0 HA VAL Q 3 -2.068 3.668 9.389 1.00 0.00 H new ATOM 0 HB VAL Q 3 -1.873 3.794 6.357 1.00 0.00 H new ATOM 0 HG11 VAL Q 3 -3.964 2.461 6.474 1.00 0.00 H new ATOM 0 HG12 VAL Q 3 -2.614 1.602 7.254 1.00 0.00 H new ATOM 0 HG13 VAL Q 3 -3.839 2.424 8.249 1.00 0.00 H new ATOM 0 HG21 VAL Q 3 -4.046 4.966 6.509 1.00 0.00 H new ATOM 0 HG22 VAL Q 3 -3.940 4.939 8.286 1.00 0.00 H new ATOM 0 HG23 VAL Q 3 -2.765 5.882 7.338 1.00 0.00 H new ATOM 944 N HIS Q 4 -0.653 1.597 9.314 1.00 0.00 N ATOM 945 CA HIS Q 4 0.218 0.409 9.302 1.00 0.00 C ATOM 946 C HIS Q 4 -0.617 -0.864 9.121 1.00 0.00 C ATOM 947 O HIS Q 4 -1.598 -1.071 9.834 1.00 0.00 O ATOM 948 CB HIS Q 4 1.024 0.339 10.627 1.00 0.00 C ATOM 949 CG HIS Q 4 1.871 1.600 10.842 1.00 0.00 C ATOM 950 ND1 HIS Q 4 2.047 2.179 12.107 1.00 0.00 N ATOM 951 CD2 HIS Q 4 2.603 2.398 9.979 1.00 0.00 C ATOM 952 CE1 HIS Q 4 2.839 3.257 11.960 1.00 0.00 C ATOM 953 NE2 HIS Q 4 3.207 3.439 10.689 1.00 0.00 N ATOM 0 H HIS Q 4 -1.334 1.620 10.073 1.00 0.00 H new ATOM 0 HA HIS Q 4 0.912 0.487 8.465 1.00 0.00 H new ATOM 0 HB2 HIS Q 4 0.338 0.214 11.465 1.00 0.00 H new ATOM 0 HB3 HIS Q 4 1.672 -0.537 10.613 1.00 0.00 H new ATOM 0 HD1 HIS Q 4 1.646 1.843 12.983 1.00 0.00 H new ATOM 0 HD2 HIS Q 4 2.694 2.239 8.915 1.00 0.00 H new ATOM 0 HE1 HIS Q 4 3.141 3.899 12.774 1.00 0.00 H new ATOM 960 N LEU Q 5 -0.220 -1.720 8.171 1.00 0.00 N ATOM 961 CA LEU Q 5 -0.937 -2.982 7.908 1.00 0.00 C ATOM 962 C LEU Q 5 -0.051 -4.170 8.263 1.00 0.00 C ATOM 963 O LEU Q 5 1.032 -4.339 7.700 1.00 0.00 O ATOM 964 CB LEU Q 5 -1.330 -3.049 6.422 1.00 0.00 C ATOM 965 CG LEU Q 5 -2.694 -2.394 6.192 1.00 0.00 C ATOM 966 CD1 LEU Q 5 -2.671 -0.949 6.700 1.00 0.00 C ATOM 967 CD2 LEU Q 5 -3.016 -2.409 4.688 1.00 0.00 C ATOM 0 H LEU Q 5 0.591 -1.566 7.571 1.00 0.00 H new ATOM 0 HA LEU Q 5 -1.837 -3.018 8.522 1.00 0.00 H new ATOM 0 HB2 LEU Q 5 -0.574 -2.547 5.818 1.00 0.00 H new ATOM 0 HB3 LEU Q 5 -1.361 -4.089 6.096 1.00 0.00 H new ATOM 0 HG LEU Q 5 -3.459 -2.949 6.736 1.00 0.00 H new ATOM 0 HD11 LEU Q 5 -3.645 -0.489 6.533 1.00 0.00 H new ATOM 0 HD12 LEU Q 5 -2.444 -0.942 7.766 1.00 0.00 H new ATOM 0 HD13 LEU Q 5 -1.907 -0.387 6.163 1.00 0.00 H new ATOM 0 HD21 LEU Q 5 -3.987 -1.943 4.519 1.00 0.00 H new ATOM 0 HD22 LEU Q 5 -2.249 -1.856 4.146 1.00 0.00 H new ATOM 0 HD23 LEU Q 5 -3.041 -3.439 4.331 1.00 0.00 H new ATOM 979 N GLN Q 6 -0.526 -5.004 9.189 1.00 0.00 N ATOM 980 CA GLN Q 6 0.220 -6.187 9.605 1.00 0.00 C ATOM 981 C GLN Q 6 -0.734 -7.369 9.774 1.00 0.00 C ATOM 982 O GLN Q 6 -1.552 -7.401 10.702 1.00 0.00 O ATOM 983 CB GLN Q 6 0.955 -5.897 10.918 1.00 0.00 C ATOM 984 CG GLN Q 6 1.863 -7.077 11.269 1.00 0.00 C ATOM 985 CD GLN Q 6 2.535 -6.841 12.617 1.00 0.00 C ATOM 986 OE1 GLN Q 6 1.864 -6.753 13.648 1.00 0.00 O ATOM 987 NE2 GLN Q 6 3.834 -6.715 12.665 1.00 0.00 N ATOM 0 H GLN Q 6 -1.421 -4.881 9.662 1.00 0.00 H new ATOM 0 HA GLN Q 6 0.955 -6.441 8.841 1.00 0.00 H new ATOM 0 HB2 GLN Q 6 1.546 -4.986 10.822 1.00 0.00 H new ATOM 0 HB3 GLN Q 6 0.236 -5.727 11.719 1.00 0.00 H new ATOM 0 HG2 GLN Q 6 1.280 -7.997 11.301 1.00 0.00 H new ATOM 0 HG3 GLN Q 6 2.619 -7.206 10.495 1.00 0.00 H new ATOM 0 HE21 GLN Q 6 4.385 -6.788 11.810 1.00 0.00 H new ATOM 0 HE22 GLN Q 6 4.297 -6.543 13.557 1.00 0.00 H new ATOM 996 N ILE Q 7 -0.639 -8.348 8.868 1.00 0.00 N ATOM 997 CA ILE Q 7 -1.523 -9.525 8.940 1.00 0.00 C ATOM 998 C ILE Q 7 -0.735 -10.805 8.642 1.00 0.00 C ATOM 999 O ILE Q 7 -1.226 -11.870 8.980 1.00 0.00 O ATOM 1000 CB ILE Q 7 -2.721 -9.363 7.962 1.00 0.00 C ATOM 1001 CG1 ILE Q 7 -2.373 -9.935 6.574 1.00 0.00 C ATOM 1002 CG2 ILE Q 7 -3.084 -7.880 7.838 1.00 0.00 C ATOM 1003 CD1 ILE Q 7 -3.433 -9.538 5.536 1.00 0.00 C ATOM 1004 OXT ILE Q 7 0.346 -10.698 8.085 1.00 0.00 O ATOM 0 H ILE Q 7 0.023 -8.355 8.092 1.00 0.00 H new ATOM 0 HA ILE Q 7 -1.921 -9.603 9.952 1.00 0.00 H new ATOM 0 HB ILE Q 7 -3.573 -9.916 8.358 1.00 0.00 H new ATOM 0 HG12 ILE Q 7 -1.396 -9.569 6.260 1.00 0.00 H new ATOM 0 HG13 ILE Q 7 -2.303 -11.021 6.631 1.00 0.00 H new ATOM 0 HG21 ILE Q 7 -3.924 -7.767 7.152 1.00 0.00 H new ATOM 0 HG22 ILE Q 7 -3.360 -7.490 8.818 1.00 0.00 H new ATOM 0 HG23 ILE Q 7 -2.226 -7.326 7.456 1.00 0.00 H new ATOM 0 HD11 ILE Q 7 -3.165 -9.954 4.565 1.00 0.00 H new ATOM 0 HD12 ILE Q 7 -4.405 -9.927 5.841 1.00 0.00 H new ATOM 0 HD13 ILE Q 7 -3.483 -8.452 5.464 1.00 0.00 H new ATOM 1017 N ILE S 1 1.894 11.520 4.718 1.00 0.00 N ATOM 1018 CA ILE S 1 1.122 10.279 5.007 1.00 0.00 C ATOM 1019 C ILE S 1 2.021 9.072 4.768 1.00 0.00 C ATOM 1020 O ILE S 1 2.601 8.926 3.685 1.00 0.00 O ATOM 1021 CB ILE S 1 -0.092 10.211 4.072 1.00 0.00 C ATOM 1022 CG1 ILE S 1 -0.992 11.428 4.315 1.00 0.00 C ATOM 1023 CG2 ILE S 1 -0.886 8.927 4.344 1.00 0.00 C ATOM 1024 CD1 ILE S 1 -2.046 11.522 3.206 1.00 0.00 C ATOM 0 H1 ILE S 1 1.519 12.303 5.290 1.00 0.00 H new ATOM 0 H2 ILE S 1 2.896 11.368 4.953 1.00 0.00 H new ATOM 0 H3 ILE S 1 1.807 11.756 3.709 1.00 0.00 H new ATOM 0 HA ILE S 1 0.781 10.283 6.042 1.00 0.00 H new ATOM 0 HB ILE S 1 0.251 10.210 3.037 1.00 0.00 H new ATOM 0 HG12 ILE S 1 -1.479 11.344 5.286 1.00 0.00 H new ATOM 0 HG13 ILE S 1 -0.392 12.338 4.337 1.00 0.00 H new ATOM 0 HG21 ILE S 1 -1.747 8.884 3.677 1.00 0.00 H new ATOM 0 HG22 ILE S 1 -0.248 8.061 4.169 1.00 0.00 H new ATOM 0 HG23 ILE S 1 -1.228 8.923 5.379 1.00 0.00 H new ATOM 0 HD11 ILE S 1 -2.684 12.388 3.382 1.00 0.00 H new ATOM 0 HD12 ILE S 1 -1.550 11.627 2.241 1.00 0.00 H new ATOM 0 HD13 ILE S 1 -2.655 10.618 3.205 1.00 0.00 H new ATOM 1038 N HIS S 2 2.136 8.197 5.774 1.00 0.00 N ATOM 1039 CA HIS S 2 2.954 7.014 5.630 1.00 0.00 C ATOM 1040 C HIS S 2 2.072 5.776 5.656 1.00 0.00 C ATOM 1041 O HIS S 2 1.381 5.527 6.644 1.00 0.00 O ATOM 1042 CB HIS S 2 3.914 6.977 6.836 1.00 0.00 C ATOM 1043 CG HIS S 2 4.598 5.641 6.939 1.00 0.00 C ATOM 1044 ND1 HIS S 2 4.863 4.996 8.162 1.00 0.00 N ATOM 1045 CD2 HIS S 2 5.114 4.834 5.976 1.00 0.00 C ATOM 1046 CE1 HIS S 2 5.513 3.863 7.883 1.00 0.00 C ATOM 1047 NE2 HIS S 2 5.698 3.704 6.575 1.00 0.00 N ATOM 0 H HIS S 2 1.676 8.294 6.679 1.00 0.00 H new ATOM 0 HA HIS S 2 3.502 7.035 4.688 1.00 0.00 H new ATOM 0 HB2 HIS S 2 4.660 7.765 6.736 1.00 0.00 H new ATOM 0 HB3 HIS S 2 3.360 7.178 7.753 1.00 0.00 H new ATOM 0 HD1 HIS S 2 4.606 5.332 9.090 1.00 0.00 H new ATOM 0 HD2 HIS S 2 5.081 5.030 4.914 1.00 0.00 H new ATOM 0 HE1 HIS S 2 5.849 3.159 8.630 1.00 0.00 H new ATOM 1054 N VAL S 3 2.141 4.970 4.596 1.00 0.00 N ATOM 1055 CA VAL S 3 1.386 3.718 4.546 1.00 0.00 C ATOM 1056 C VAL S 3 2.344 2.547 4.418 1.00 0.00 C ATOM 1057 O VAL S 3 3.113 2.494 3.458 1.00 0.00 O ATOM 1058 CB VAL S 3 0.422 3.720 3.366 1.00 0.00 C ATOM 1059 CG1 VAL S 3 -0.356 2.403 3.358 1.00 0.00 C ATOM 1060 CG2 VAL S 3 -0.546 4.898 3.501 1.00 0.00 C ATOM 0 H VAL S 3 2.706 5.159 3.768 1.00 0.00 H new ATOM 0 HA VAL S 3 0.811 3.622 5.467 1.00 0.00 H new ATOM 0 HB VAL S 3 0.976 3.821 2.432 1.00 0.00 H new ATOM 0 HG11 VAL S 3 -1.049 2.395 2.517 1.00 0.00 H new ATOM 0 HG12 VAL S 3 0.340 1.570 3.263 1.00 0.00 H new ATOM 0 HG13 VAL S 3 -0.914 2.305 4.289 1.00 0.00 H new ATOM 0 HG21 VAL S 3 -1.236 4.900 2.657 1.00 0.00 H new ATOM 0 HG22 VAL S 3 -1.109 4.802 4.430 1.00 0.00 H new ATOM 0 HG23 VAL S 3 0.016 5.832 3.512 1.00 0.00 H new ATOM 1070 N HIS S 4 2.293 1.592 5.350 1.00 0.00 N ATOM 1071 CA HIS S 4 3.150 0.434 5.269 1.00 0.00 C ATOM 1072 C HIS S 4 2.339 -0.848 5.136 1.00 0.00 C ATOM 1073 O HIS S 4 1.393 -1.078 5.891 1.00 0.00 O ATOM 1074 CB HIS S 4 4.065 0.415 6.506 1.00 0.00 C ATOM 1075 CG HIS S 4 5.304 -0.386 6.212 1.00 0.00 C ATOM 1076 ND1 HIS S 4 6.602 0.159 6.143 1.00 0.00 N ATOM 1077 CD2 HIS S 4 5.443 -1.709 5.982 1.00 0.00 C ATOM 1078 CE1 HIS S 4 7.442 -0.852 5.882 1.00 0.00 C ATOM 1079 NE2 HIS S 4 6.791 -2.016 5.776 1.00 0.00 N ATOM 0 H HIS S 4 1.670 1.608 6.157 1.00 0.00 H new ATOM 0 HA HIS S 4 3.767 0.494 4.373 1.00 0.00 H new ATOM 0 HB2 HIS S 4 4.337 1.433 6.784 1.00 0.00 H new ATOM 0 HB3 HIS S 4 3.535 -0.017 7.355 1.00 0.00 H new ATOM 0 HD2 HIS S 4 4.633 -2.424 5.960 1.00 0.00 H new ATOM 0 HE1 HIS S 4 8.511 -0.741 5.771 1.00 0.00 H new ATOM 0 HE2 HIS S 4 7.193 -2.934 5.585 1.00 0.00 H new ATOM 1087 N LEU S 5 2.717 -1.683 4.163 1.00 0.00 N ATOM 1088 CA LEU S 5 2.025 -2.952 3.917 1.00 0.00 C ATOM 1089 C LEU S 5 2.931 -4.123 4.274 1.00 0.00 C ATOM 1090 O LEU S 5 3.926 -4.377 3.597 1.00 0.00 O ATOM 1091 CB LEU S 5 1.629 -3.032 2.430 1.00 0.00 C ATOM 1092 CG LEU S 5 0.247 -2.412 2.210 1.00 0.00 C ATOM 1093 CD1 LEU S 5 0.233 -0.984 2.764 1.00 0.00 C ATOM 1094 CD2 LEU S 5 -0.074 -2.389 0.705 1.00 0.00 C ATOM 0 H LEU S 5 3.499 -1.503 3.533 1.00 0.00 H new ATOM 0 HA LEU S 5 1.131 -3.001 4.538 1.00 0.00 H new ATOM 0 HB2 LEU S 5 2.369 -2.511 1.822 1.00 0.00 H new ATOM 0 HB3 LEU S 5 1.624 -4.072 2.104 1.00 0.00 H new ATOM 0 HG LEU S 5 -0.505 -3.007 2.728 1.00 0.00 H new ATOM 0 HD11 LEU S 5 -0.751 -0.543 2.607 1.00 0.00 H new ATOM 0 HD12 LEU S 5 0.455 -1.005 3.831 1.00 0.00 H new ATOM 0 HD13 LEU S 5 0.985 -0.386 2.249 1.00 0.00 H new ATOM 0 HD21 LEU S 5 -1.058 -1.947 0.550 1.00 0.00 H new ATOM 0 HD22 LEU S 5 0.676 -1.796 0.182 1.00 0.00 H new ATOM 0 HD23 LEU S 5 -0.068 -3.407 0.316 1.00 0.00 H new ATOM 1106 N GLN S 6 2.563 -4.852 5.328 1.00 0.00 N ATOM 1107 CA GLN S 6 3.331 -6.017 5.756 1.00 0.00 C ATOM 1108 C GLN S 6 2.385 -7.197 5.912 1.00 0.00 C ATOM 1109 O GLN S 6 1.570 -7.253 6.841 1.00 0.00 O ATOM 1110 CB GLN S 6 4.050 -5.722 7.072 1.00 0.00 C ATOM 1111 CG GLN S 6 4.939 -6.911 7.445 1.00 0.00 C ATOM 1112 CD GLN S 6 5.599 -6.672 8.795 1.00 0.00 C ATOM 1113 OE1 GLN S 6 4.919 -6.565 9.820 1.00 0.00 O ATOM 1114 NE2 GLN S 6 6.899 -6.562 8.848 1.00 0.00 N ATOM 0 H GLN S 6 1.740 -4.656 5.898 1.00 0.00 H new ATOM 0 HA GLN S 6 4.087 -6.257 5.008 1.00 0.00 H new ATOM 0 HB2 GLN S 6 4.653 -4.819 6.975 1.00 0.00 H new ATOM 0 HB3 GLN S 6 3.323 -5.536 7.862 1.00 0.00 H new ATOM 0 HG2 GLN S 6 4.343 -7.823 7.480 1.00 0.00 H new ATOM 0 HG3 GLN S 6 5.702 -7.058 6.680 1.00 0.00 H new ATOM 0 HE21 GLN S 6 7.454 -6.652 7.997 1.00 0.00 H new ATOM 0 HE22 GLN S 6 7.360 -6.386 9.741 1.00 0.00 H new ATOM 1123 N ILE S 7 2.473 -8.142 4.982 1.00 0.00 N ATOM 1124 CA ILE S 7 1.587 -9.303 5.019 1.00 0.00 C ATOM 1125 C ILE S 7 2.310 -10.557 4.534 1.00 0.00 C ATOM 1126 O ILE S 7 3.528 -10.526 4.470 1.00 0.00 O ATOM 1127 CB ILE S 7 0.354 -9.011 4.145 1.00 0.00 C ATOM 1128 CG1 ILE S 7 0.765 -8.862 2.672 1.00 0.00 C ATOM 1129 CG2 ILE S 7 -0.288 -7.691 4.599 1.00 0.00 C ATOM 1130 CD1 ILE S 7 -0.476 -8.701 1.778 1.00 0.00 C ATOM 1131 OXT ILE S 7 1.635 -11.527 4.233 1.00 0.00 O ATOM 0 H ILE S 7 3.135 -8.130 4.206 1.00 0.00 H new ATOM 0 HA ILE S 7 1.272 -9.487 6.046 1.00 0.00 H new ATOM 0 HB ILE S 7 -0.348 -9.838 4.248 1.00 0.00 H new ATOM 0 HG12 ILE S 7 1.418 -7.997 2.557 1.00 0.00 H new ATOM 0 HG13 ILE S 7 1.336 -9.736 2.358 1.00 0.00 H new ATOM 0 HG21 ILE S 7 -1.162 -7.480 3.982 1.00 0.00 H new ATOM 0 HG22 ILE S 7 -0.592 -7.774 5.643 1.00 0.00 H new ATOM 0 HG23 ILE S 7 0.434 -6.881 4.495 1.00 0.00 H new ATOM 0 HD11 ILE S 7 -0.165 -8.597 0.739 1.00 0.00 H new ATOM 0 HD12 ILE S 7 -1.114 -9.579 1.879 1.00 0.00 H new ATOM 0 HD13 ILE S 7 -1.030 -7.813 2.081 1.00 0.00 H new ATOM 1144 N ILE U 1 4.459 11.810 0.642 1.00 0.00 N ATOM 1145 CA ILE U 1 3.748 10.542 0.968 1.00 0.00 C ATOM 1146 C ILE U 1 4.682 9.366 0.713 1.00 0.00 C ATOM 1147 O ILE U 1 5.192 9.197 -0.403 1.00 0.00 O ATOM 1148 CB ILE U 1 2.507 10.409 0.078 1.00 0.00 C ATOM 1149 CG1 ILE U 1 1.566 11.586 0.343 1.00 0.00 C ATOM 1150 CG2 ILE U 1 1.787 9.102 0.405 1.00 0.00 C ATOM 1151 CD1 ILE U 1 0.452 11.600 -0.705 1.00 0.00 C ATOM 0 H1 ILE U 1 4.071 12.584 1.219 1.00 0.00 H new ATOM 0 H2 ILE U 1 5.473 11.701 0.845 1.00 0.00 H new ATOM 0 H3 ILE U 1 4.329 12.031 -0.366 1.00 0.00 H new ATOM 0 HA ILE U 1 3.444 10.550 2.015 1.00 0.00 H new ATOM 0 HB ILE U 1 2.807 10.409 -0.970 1.00 0.00 H new ATOM 0 HG12 ILE U 1 1.138 11.504 1.342 1.00 0.00 H new ATOM 0 HG13 ILE U 1 2.122 12.523 0.310 1.00 0.00 H new ATOM 0 HG21 ILE U 1 0.904 9.005 -0.227 1.00 0.00 H new ATOM 0 HG22 ILE U 1 2.457 8.262 0.223 1.00 0.00 H new ATOM 0 HG23 ILE U 1 1.485 9.105 1.452 1.00 0.00 H new ATOM 0 HD11 ILE U 1 -0.217 12.439 -0.514 1.00 0.00 H new ATOM 0 HD12 ILE U 1 0.888 11.703 -1.699 1.00 0.00 H new ATOM 0 HD13 ILE U 1 -0.111 10.668 -0.650 1.00 0.00 H new ATOM 1165 N HIS U 2 4.903 8.539 1.739 1.00 0.00 N ATOM 1166 CA HIS U 2 5.768 7.368 1.570 1.00 0.00 C ATOM 1167 C HIS U 2 4.915 6.109 1.637 1.00 0.00 C ATOM 1168 O HIS U 2 4.236 5.863 2.638 1.00 0.00 O ATOM 1169 CB HIS U 2 6.826 7.331 2.698 1.00 0.00 C ATOM 1170 CG HIS U 2 8.040 8.157 2.335 1.00 0.00 C ATOM 1171 ND1 HIS U 2 9.305 7.597 2.209 1.00 0.00 N ATOM 1172 CD2 HIS U 2 8.204 9.501 2.090 1.00 0.00 C ATOM 1173 CE1 HIS U 2 10.161 8.590 1.903 1.00 0.00 C ATOM 1174 NE2 HIS U 2 9.542 9.770 1.819 1.00 0.00 N ATOM 0 H HIS U 2 4.507 8.653 2.672 1.00 0.00 H new ATOM 0 HA HIS U 2 6.274 7.424 0.606 1.00 0.00 H new ATOM 0 HB2 HIS U 2 6.389 7.708 3.623 1.00 0.00 H new ATOM 0 HB3 HIS U 2 7.127 6.300 2.885 1.00 0.00 H new ATOM 0 HD2 HIS U 2 7.413 10.236 2.106 1.00 0.00 H new ATOM 0 HE1 HIS U 2 11.220 8.449 1.745 1.00 0.00 H new ATOM 0 HE2 HIS U 2 9.960 10.675 1.603 1.00 0.00 H new ATOM 1182 N VAL U 3 4.987 5.286 0.591 1.00 0.00 N ATOM 1183 CA VAL U 3 4.253 4.023 0.564 1.00 0.00 C ATOM 1184 C VAL U 3 5.252 2.868 0.519 1.00 0.00 C ATOM 1185 O VAL U 3 6.116 2.832 -0.363 1.00 0.00 O ATOM 1186 CB VAL U 3 3.334 3.973 -0.654 1.00 0.00 C ATOM 1187 CG1 VAL U 3 2.561 2.658 -0.631 1.00 0.00 C ATOM 1188 CG2 VAL U 3 2.350 5.152 -0.621 1.00 0.00 C ATOM 0 H VAL U 3 5.543 5.470 -0.244 1.00 0.00 H new ATOM 0 HA VAL U 3 3.639 3.939 1.460 1.00 0.00 H new ATOM 0 HB VAL U 3 3.929 4.040 -1.565 1.00 0.00 H new ATOM 0 HG11 VAL U 3 1.900 2.609 -1.496 1.00 0.00 H new ATOM 0 HG12 VAL U 3 3.262 1.824 -0.662 1.00 0.00 H new ATOM 0 HG13 VAL U 3 1.968 2.600 0.282 1.00 0.00 H new ATOM 0 HG21 VAL U 3 1.699 5.107 -1.494 1.00 0.00 H new ATOM 0 HG22 VAL U 3 1.746 5.097 0.285 1.00 0.00 H new ATOM 0 HG23 VAL U 3 2.905 6.090 -0.630 1.00 0.00 H new ATOM 1198 N HIS U 4 5.144 1.922 1.455 1.00 0.00 N ATOM 1199 CA HIS U 4 6.066 0.773 1.483 1.00 0.00 C ATOM 1200 C HIS U 4 5.299 -0.536 1.290 1.00 0.00 C ATOM 1201 O HIS U 4 4.306 -0.782 1.975 1.00 0.00 O ATOM 1202 CB HIS U 4 6.835 0.750 2.831 1.00 0.00 C ATOM 1203 CG HIS U 4 7.627 2.042 3.051 1.00 0.00 C ATOM 1204 ND1 HIS U 4 7.744 2.646 4.311 1.00 0.00 N ATOM 1205 CD2 HIS U 4 8.343 2.856 2.194 1.00 0.00 C ATOM 1206 CE1 HIS U 4 8.492 3.754 4.165 1.00 0.00 C ATOM 1207 NE2 HIS U 4 8.881 3.933 2.901 1.00 0.00 N ATOM 0 H HIS U 4 4.441 1.923 2.194 1.00 0.00 H new ATOM 0 HA HIS U 4 6.780 0.876 0.666 1.00 0.00 H new ATOM 0 HB2 HIS U 4 6.130 0.611 3.650 1.00 0.00 H new ATOM 0 HB3 HIS U 4 7.515 -0.102 2.848 1.00 0.00 H new ATOM 0 HD1 HIS U 4 7.335 2.306 5.182 1.00 0.00 H new ATOM 0 HD2 HIS U 4 8.468 2.685 1.135 1.00 0.00 H new ATOM 0 HE1 HIS U 4 8.748 4.421 4.975 1.00 0.00 H new ATOM 1214 N LEU U 5 5.766 -1.382 0.364 1.00 0.00 N ATOM 1215 CA LEU U 5 5.116 -2.676 0.094 1.00 0.00 C ATOM 1216 C LEU U 5 6.032 -3.826 0.500 1.00 0.00 C ATOM 1217 O LEU U 5 7.147 -3.954 -0.011 1.00 0.00 O ATOM 1218 CB LEU U 5 4.775 -2.784 -1.403 1.00 0.00 C ATOM 1219 CG LEU U 5 3.395 -2.187 -1.686 1.00 0.00 C ATOM 1220 CD1 LEU U 5 3.350 -0.732 -1.206 1.00 0.00 C ATOM 1221 CD2 LEU U 5 3.120 -2.242 -3.198 1.00 0.00 C ATOM 0 H LEU U 5 6.588 -1.197 -0.211 1.00 0.00 H new ATOM 0 HA LEU U 5 4.198 -2.737 0.679 1.00 0.00 H new ATOM 0 HB2 LEU U 5 5.530 -2.263 -1.992 1.00 0.00 H new ATOM 0 HB3 LEU U 5 4.795 -3.829 -1.712 1.00 0.00 H new ATOM 0 HG LEU U 5 2.635 -2.760 -1.155 1.00 0.00 H new ATOM 0 HD11 LEU U 5 2.365 -0.312 -1.410 1.00 0.00 H new ATOM 0 HD12 LEU U 5 3.545 -0.696 -0.134 1.00 0.00 H new ATOM 0 HD13 LEU U 5 4.108 -0.152 -1.732 1.00 0.00 H new ATOM 0 HD21 LEU U 5 2.138 -1.818 -3.405 1.00 0.00 H new ATOM 0 HD22 LEU U 5 3.881 -1.669 -3.727 1.00 0.00 H new ATOM 0 HD23 LEU U 5 3.146 -3.278 -3.535 1.00 0.00 H new ATOM 1233 N GLN U 6 5.545 -4.670 1.409 1.00 0.00 N ATOM 1234 CA GLN U 6 6.313 -5.822 1.873 1.00 0.00 C ATOM 1235 C GLN U 6 5.391 -7.031 2.033 1.00 0.00 C ATOM 1236 O GLN U 6 4.537 -7.068 2.923 1.00 0.00 O ATOM 1237 CB GLN U 6 6.990 -5.480 3.205 1.00 0.00 C ATOM 1238 CG GLN U 6 7.916 -6.625 3.621 1.00 0.00 C ATOM 1239 CD GLN U 6 8.533 -6.335 4.985 1.00 0.00 C ATOM 1240 OE1 GLN U 6 7.825 -6.247 5.991 1.00 0.00 O ATOM 1241 NE2 GLN U 6 9.824 -6.159 5.073 1.00 0.00 N ATOM 0 H GLN U 6 4.624 -4.577 1.837 1.00 0.00 H new ATOM 0 HA GLN U 6 7.081 -6.069 1.140 1.00 0.00 H new ATOM 0 HB2 GLN U 6 7.560 -4.556 3.108 1.00 0.00 H new ATOM 0 HB3 GLN U 6 6.237 -5.311 3.974 1.00 0.00 H new ATOM 0 HG2 GLN U 6 7.356 -7.560 3.658 1.00 0.00 H new ATOM 0 HG3 GLN U 6 8.703 -6.754 2.878 1.00 0.00 H new ATOM 0 HE21 GLN U 6 10.407 -6.232 4.239 1.00 0.00 H new ATOM 0 HE22 GLN U 6 10.250 -5.948 5.976 1.00 0.00 H new ATOM 1250 N ILE U 7 5.553 -8.027 1.158 1.00 0.00 N ATOM 1251 CA ILE U 7 4.707 -9.231 1.225 1.00 0.00 C ATOM 1252 C ILE U 7 5.548 -10.490 0.996 1.00 0.00 C ATOM 1253 O ILE U 7 5.089 -11.560 1.363 1.00 0.00 O ATOM 1254 CB ILE U 7 3.552 -9.135 0.192 1.00 0.00 C ATOM 1255 CG1 ILE U 7 3.991 -9.687 -1.179 1.00 0.00 C ATOM 1256 CG2 ILE U 7 3.118 -7.673 0.045 1.00 0.00 C ATOM 1257 CD1 ILE U 7 2.935 -9.376 -2.249 1.00 0.00 C ATOM 1258 OXT ILE U 7 6.637 -10.363 0.461 1.00 0.00 O ATOM 0 H ILE U 7 6.245 -8.030 0.409 1.00 0.00 H new ATOM 0 HA ILE U 7 4.268 -9.297 2.220 1.00 0.00 H new ATOM 0 HB ILE U 7 2.716 -9.735 0.551 1.00 0.00 H new ATOM 0 HG12 ILE U 7 4.947 -9.248 -1.465 1.00 0.00 H new ATOM 0 HG13 ILE U 7 4.143 -10.764 -1.112 1.00 0.00 H new ATOM 0 HG21 ILE U 7 2.307 -7.605 -0.680 1.00 0.00 H new ATOM 0 HG22 ILE U 7 2.775 -7.297 1.009 1.00 0.00 H new ATOM 0 HG23 ILE U 7 3.963 -7.076 -0.298 1.00 0.00 H new ATOM 0 HD11 ILE U 7 3.262 -9.773 -3.210 1.00 0.00 H new ATOM 0 HD12 ILE U 7 1.987 -9.837 -1.970 1.00 0.00 H new ATOM 0 HD13 ILE U 7 2.804 -8.297 -2.328 1.00 0.00 H new ATOM 1271 N ILE W 1 7.371 11.884 -3.300 1.00 0.00 N ATOM 1272 CA ILE W 1 6.626 10.618 -3.034 1.00 0.00 C ATOM 1273 C ILE W 1 7.575 9.440 -3.196 1.00 0.00 C ATOM 1274 O ILE W 1 8.212 9.293 -4.244 1.00 0.00 O ATOM 1275 CB ILE W 1 5.481 10.476 -4.042 1.00 0.00 C ATOM 1276 CG1 ILE W 1 4.522 11.662 -3.906 1.00 0.00 C ATOM 1277 CG2 ILE W 1 4.720 9.177 -3.763 1.00 0.00 C ATOM 1278 CD1 ILE W 1 3.553 11.678 -5.095 1.00 0.00 C ATOM 0 H1 ILE W 1 6.895 12.674 -2.820 1.00 0.00 H new ATOM 0 H2 ILE W 1 8.344 11.796 -2.942 1.00 0.00 H new ATOM 0 H3 ILE W 1 7.394 12.065 -4.324 1.00 0.00 H new ATOM 0 HA ILE W 1 6.223 10.638 -2.022 1.00 0.00 H new ATOM 0 HB ILE W 1 5.890 10.456 -5.052 1.00 0.00 H new ATOM 0 HG12 ILE W 1 3.966 11.588 -2.971 1.00 0.00 H new ATOM 0 HG13 ILE W 1 5.084 12.595 -3.869 1.00 0.00 H new ATOM 0 HG21 ILE W 1 3.904 9.072 -4.478 1.00 0.00 H new ATOM 0 HG22 ILE W 1 5.399 8.330 -3.860 1.00 0.00 H new ATOM 0 HG23 ILE W 1 4.314 9.203 -2.752 1.00 0.00 H new ATOM 0 HD11 ILE W 1 2.871 12.523 -4.997 1.00 0.00 H new ATOM 0 HD12 ILE W 1 4.117 11.773 -6.023 1.00 0.00 H new ATOM 0 HD13 ILE W 1 2.981 10.750 -5.111 1.00 0.00 H new ATOM 1292 N HIS W 2 7.663 8.587 -2.170 1.00 0.00 N ATOM 1293 CA HIS W 2 8.526 7.429 -2.253 1.00 0.00 C ATOM 1294 C HIS W 2 7.689 6.156 -2.253 1.00 0.00 C ATOM 1295 O HIS W 2 6.957 5.892 -1.300 1.00 0.00 O ATOM 1296 CB HIS W 2 9.429 7.432 -1.001 1.00 0.00 C ATOM 1297 CG HIS W 2 10.187 6.138 -0.899 1.00 0.00 C ATOM 1298 ND1 HIS W 2 10.479 5.496 0.319 1.00 0.00 N ATOM 1299 CD2 HIS W 2 10.740 5.365 -1.870 1.00 0.00 C ATOM 1300 CE1 HIS W 2 11.182 4.391 0.026 1.00 0.00 C ATOM 1301 NE2 HIS W 2 11.372 4.260 -1.290 1.00 0.00 N ATOM 0 H HIS W 2 7.153 8.683 -1.292 1.00 0.00 H new ATOM 0 HA HIS W 2 9.117 7.464 -3.168 1.00 0.00 H new ATOM 0 HB2 HIS W 2 10.128 8.267 -1.051 1.00 0.00 H new ATOM 0 HB3 HIS W 2 8.822 7.577 -0.107 1.00 0.00 H new ATOM 0 HD1 HIS W 2 10.207 5.812 1.250 1.00 0.00 H new ATOM 0 HD2 HIS W 2 10.698 5.572 -2.929 1.00 0.00 H new ATOM 0 HE1 HIS W 2 11.549 3.693 0.764 1.00 0.00 H new ATOM 0 HE2 HIS W 2 11.872 3.512 -1.770 1.00 0.00 H new ATOM 1308 N VAL W 3 7.849 5.338 -3.296 1.00 0.00 N ATOM 1309 CA VAL W 3 7.152 4.054 -3.371 1.00 0.00 C ATOM 1310 C VAL W 3 8.166 2.924 -3.426 1.00 0.00 C ATOM 1311 O VAL W 3 8.997 2.895 -4.336 1.00 0.00 O ATOM 1312 CB VAL W 3 6.262 4.001 -4.606 1.00 0.00 C ATOM 1313 CG1 VAL W 3 5.553 2.647 -4.648 1.00 0.00 C ATOM 1314 CG2 VAL W 3 5.230 5.128 -4.536 1.00 0.00 C ATOM 0 H VAL W 3 8.451 5.541 -4.094 1.00 0.00 H new ATOM 0 HA VAL W 3 6.528 3.944 -2.484 1.00 0.00 H new ATOM 0 HB VAL W 3 6.864 4.125 -5.506 1.00 0.00 H new ATOM 0 HG11 VAL W 3 4.913 2.599 -5.529 1.00 0.00 H new ATOM 0 HG12 VAL W 3 6.294 1.849 -4.694 1.00 0.00 H new ATOM 0 HG13 VAL W 3 4.946 2.526 -3.751 1.00 0.00 H new ATOM 0 HG21 VAL W 3 4.592 5.092 -5.419 1.00 0.00 H new ATOM 0 HG22 VAL W 3 4.619 5.007 -3.641 1.00 0.00 H new ATOM 0 HG23 VAL W 3 5.743 6.089 -4.498 1.00 0.00 H new ATOM 1324 N HIS W 4 8.096 1.977 -2.487 1.00 0.00 N ATOM 1325 CA HIS W 4 9.007 0.856 -2.498 1.00 0.00 C ATOM 1326 C HIS W 4 8.260 -0.464 -2.667 1.00 0.00 C ATOM 1327 O HIS W 4 7.285 -0.725 -1.964 1.00 0.00 O ATOM 1328 CB HIS W 4 9.841 0.887 -1.201 1.00 0.00 C ATOM 1329 CG HIS W 4 11.123 0.126 -1.402 1.00 0.00 C ATOM 1330 ND1 HIS W 4 12.403 0.707 -1.331 1.00 0.00 N ATOM 1331 CD2 HIS W 4 11.324 -1.184 -1.677 1.00 0.00 C ATOM 1332 CE1 HIS W 4 13.294 -0.268 -1.564 1.00 0.00 C ATOM 1333 NE2 HIS W 4 12.694 -1.443 -1.777 1.00 0.00 N ATOM 0 H HIS W 4 7.422 1.973 -1.722 1.00 0.00 H new ATOM 0 HA HIS W 4 9.678 0.936 -3.353 1.00 0.00 H new ATOM 0 HB2 HIS W 4 10.059 1.918 -0.922 1.00 0.00 H new ATOM 0 HB3 HIS W 4 9.272 0.449 -0.381 1.00 0.00 H new ATOM 0 HD2 HIS W 4 10.543 -1.919 -1.801 1.00 0.00 H new ATOM 0 HE1 HIS W 4 14.364 -0.122 -1.578 1.00 0.00 H new ATOM 0 HE2 HIS W 4 13.141 -2.339 -1.971 1.00 0.00 H new ATOM 1341 N LEU W 5 8.730 -1.293 -3.608 1.00 0.00 N ATOM 1342 CA LEU W 5 8.108 -2.596 -3.881 1.00 0.00 C ATOM 1343 C LEU W 5 9.030 -3.732 -3.463 1.00 0.00 C ATOM 1344 O LEU W 5 10.067 -3.966 -4.087 1.00 0.00 O ATOM 1345 CB LEU W 5 7.787 -2.712 -5.383 1.00 0.00 C ATOM 1346 CG LEU W 5 6.398 -2.147 -5.676 1.00 0.00 C ATOM 1347 CD1 LEU W 5 6.307 -0.706 -5.163 1.00 0.00 C ATOM 1348 CD2 LEU W 5 6.142 -2.179 -7.192 1.00 0.00 C ATOM 0 H LEU W 5 9.539 -1.085 -4.193 1.00 0.00 H new ATOM 0 HA LEU W 5 7.187 -2.669 -3.303 1.00 0.00 H new ATOM 0 HB2 LEU W 5 8.536 -2.173 -5.964 1.00 0.00 H new ATOM 0 HB3 LEU W 5 7.834 -3.756 -5.692 1.00 0.00 H new ATOM 0 HG LEU W 5 5.646 -2.752 -5.170 1.00 0.00 H new ATOM 0 HD11 LEU W 5 5.315 -0.307 -5.374 1.00 0.00 H new ATOM 0 HD12 LEU W 5 6.483 -0.691 -4.087 1.00 0.00 H new ATOM 0 HD13 LEU W 5 7.058 -0.094 -5.662 1.00 0.00 H new ATOM 0 HD21 LEU W 5 5.151 -1.776 -7.402 1.00 0.00 H new ATOM 0 HD22 LEU W 5 6.894 -1.576 -7.701 1.00 0.00 H new ATOM 0 HD23 LEU W 5 6.199 -3.207 -7.549 1.00 0.00 H new ATOM 1360 N GLN W 6 8.625 -4.456 -2.419 1.00 0.00 N ATOM 1361 CA GLN W 6 9.396 -5.594 -1.931 1.00 0.00 C ATOM 1362 C GLN W 6 8.475 -6.796 -1.793 1.00 0.00 C ATOM 1363 O GLN W 6 7.617 -6.851 -0.906 1.00 0.00 O ATOM 1364 CB GLN W 6 10.049 -5.246 -0.592 1.00 0.00 C ATOM 1365 CG GLN W 6 10.912 -6.416 -0.122 1.00 0.00 C ATOM 1366 CD GLN W 6 11.515 -6.104 1.241 1.00 0.00 C ATOM 1367 OE1 GLN W 6 10.797 -5.955 2.231 1.00 0.00 O ATOM 1368 NE2 GLN W 6 12.809 -5.967 1.340 1.00 0.00 N ATOM 0 H GLN W 6 7.768 -4.273 -1.897 1.00 0.00 H new ATOM 0 HA GLN W 6 10.189 -5.837 -2.639 1.00 0.00 H new ATOM 0 HB2 GLN W 6 10.660 -4.349 -0.696 1.00 0.00 H new ATOM 0 HB3 GLN W 6 9.283 -5.025 0.151 1.00 0.00 H new ATOM 0 HG2 GLN W 6 10.309 -7.322 -0.063 1.00 0.00 H new ATOM 0 HG3 GLN W 6 11.705 -6.607 -0.845 1.00 0.00 H new ATOM 0 HE21 GLN W 6 13.399 -6.091 0.518 1.00 0.00 H new ATOM 0 HE22 GLN W 6 13.230 -5.736 2.240 1.00 0.00 H new ATOM 1377 N ILE W 7 8.639 -7.757 -2.695 1.00 0.00 N ATOM 1378 CA ILE W 7 7.790 -8.943 -2.684 1.00 0.00 C ATOM 1379 C ILE W 7 8.585 -10.182 -3.095 1.00 0.00 C ATOM 1380 O ILE W 7 9.804 -10.112 -3.075 1.00 0.00 O ATOM 1381 CB ILE W 7 6.611 -8.708 -3.644 1.00 0.00 C ATOM 1382 CG1 ILE W 7 7.118 -8.585 -5.093 1.00 0.00 C ATOM 1383 CG2 ILE W 7 5.911 -7.392 -3.271 1.00 0.00 C ATOM 1384 CD1 ILE W 7 5.936 -8.489 -6.074 1.00 0.00 C ATOM 1385 OXT ILE W 7 7.965 -11.178 -3.423 1.00 0.00 O ATOM 0 H ILE W 7 9.342 -7.740 -3.434 1.00 0.00 H new ATOM 0 HA ILE W 7 7.414 -9.117 -1.676 1.00 0.00 H new ATOM 0 HB ILE W 7 5.923 -9.550 -3.564 1.00 0.00 H new ATOM 0 HG12 ILE W 7 7.750 -7.702 -5.189 1.00 0.00 H new ATOM 0 HG13 ILE W 7 7.736 -9.448 -5.342 1.00 0.00 H new ATOM 0 HG21 ILE W 7 5.074 -7.220 -3.948 1.00 0.00 H new ATOM 0 HG22 ILE W 7 5.542 -7.454 -2.247 1.00 0.00 H new ATOM 0 HG23 ILE W 7 6.619 -6.567 -3.353 1.00 0.00 H new ATOM 0 HD11 ILE W 7 6.315 -8.403 -7.093 1.00 0.00 H new ATOM 0 HD12 ILE W 7 5.320 -9.384 -5.990 1.00 0.00 H new ATOM 0 HD13 ILE W 7 5.335 -7.612 -5.835 1.00 0.00 H new ATOM 1398 N ILE Y 1 9.869 11.966 -7.401 1.00 0.00 N ATOM 1399 CA ILE Y 1 9.178 10.668 -7.151 1.00 0.00 C ATOM 1400 C ILE Y 1 10.176 9.534 -7.319 1.00 0.00 C ATOM 1401 O ILE Y 1 10.737 9.356 -8.401 1.00 0.00 O ATOM 1402 CB ILE Y 1 8.038 10.496 -8.163 1.00 0.00 C ATOM 1403 CG1 ILE Y 1 7.027 11.628 -7.976 1.00 0.00 C ATOM 1404 CG2 ILE Y 1 7.343 9.155 -7.937 1.00 0.00 C ATOM 1405 CD1 ILE Y 1 6.022 11.612 -9.128 1.00 0.00 C ATOM 0 H1 ILE Y 1 9.574 12.660 -6.685 1.00 0.00 H new ATOM 0 H2 ILE Y 1 10.898 11.828 -7.345 1.00 0.00 H new ATOM 0 H3 ILE Y 1 9.618 12.316 -8.347 1.00 0.00 H new ATOM 0 HA ILE Y 1 8.772 10.655 -6.140 1.00 0.00 H new ATOM 0 HB ILE Y 1 8.444 10.524 -9.174 1.00 0.00 H new ATOM 0 HG12 ILE Y 1 6.507 11.512 -7.025 1.00 0.00 H new ATOM 0 HG13 ILE Y 1 7.542 12.588 -7.943 1.00 0.00 H new ATOM 0 HG21 ILE Y 1 6.534 9.038 -8.658 1.00 0.00 H new ATOM 0 HG22 ILE Y 1 8.063 8.346 -8.064 1.00 0.00 H new ATOM 0 HG23 ILE Y 1 6.935 9.122 -6.927 1.00 0.00 H new ATOM 0 HD11 ILE Y 1 5.302 12.419 -8.994 1.00 0.00 H new ATOM 0 HD12 ILE Y 1 6.549 11.749 -10.072 1.00 0.00 H new ATOM 0 HD13 ILE Y 1 5.498 10.656 -9.140 1.00 0.00 H new ATOM 1419 N HIS Y 2 10.384 8.744 -6.262 1.00 0.00 N ATOM 1420 CA HIS Y 2 11.311 7.612 -6.355 1.00 0.00 C ATOM 1421 C HIS Y 2 10.513 6.313 -6.321 1.00 0.00 C ATOM 1422 O HIS Y 2 9.780 6.050 -5.368 1.00 0.00 O ATOM 1423 CB HIS Y 2 12.282 7.635 -5.153 1.00 0.00 C ATOM 1424 CG HIS Y 2 13.487 8.498 -5.448 1.00 0.00 C ATOM 1425 ND1 HIS Y 2 14.773 7.976 -5.494 1.00 0.00 N ATOM 1426 CD2 HIS Y 2 13.622 9.845 -5.689 1.00 0.00 C ATOM 1427 CE1 HIS Y 2 15.615 8.995 -5.750 1.00 0.00 C ATOM 1428 NE2 HIS Y 2 14.965 10.156 -5.878 1.00 0.00 N ATOM 0 H HIS Y 2 9.936 8.862 -5.353 1.00 0.00 H new ATOM 0 HA HIS Y 2 11.878 7.682 -7.283 1.00 0.00 H new ATOM 0 HB2 HIS Y 2 11.766 8.014 -4.271 1.00 0.00 H new ATOM 0 HB3 HIS Y 2 12.605 6.620 -4.922 1.00 0.00 H new ATOM 0 HD2 HIS Y 2 12.809 10.554 -5.726 1.00 0.00 H new ATOM 0 HE1 HIS Y 2 16.686 8.887 -5.841 1.00 0.00 H new ATOM 0 HE2 HIS Y 2 15.367 11.073 -6.072 1.00 0.00 H new ATOM 1436 N VAL Y 3 10.700 5.482 -7.346 1.00 0.00 N ATOM 1437 CA VAL Y 3 10.031 4.182 -7.411 1.00 0.00 C ATOM 1438 C VAL Y 3 11.088 3.080 -7.353 1.00 0.00 C ATOM 1439 O VAL Y 3 12.020 3.082 -8.159 1.00 0.00 O ATOM 1440 CB VAL Y 3 9.225 4.076 -8.707 1.00 0.00 C ATOM 1441 CG1 VAL Y 3 8.522 2.720 -8.751 1.00 0.00 C ATOM 1442 CG2 VAL Y 3 8.183 5.201 -8.771 1.00 0.00 C ATOM 0 H VAL Y 3 11.307 5.684 -8.140 1.00 0.00 H new ATOM 0 HA VAL Y 3 9.347 4.074 -6.570 1.00 0.00 H new ATOM 0 HB VAL Y 3 9.897 4.169 -9.560 1.00 0.00 H new ATOM 0 HG11 VAL Y 3 7.946 2.639 -9.673 1.00 0.00 H new ATOM 0 HG12 VAL Y 3 9.265 1.924 -8.716 1.00 0.00 H new ATOM 0 HG13 VAL Y 3 7.853 2.629 -7.895 1.00 0.00 H new ATOM 0 HG21 VAL Y 3 7.614 5.118 -9.697 1.00 0.00 H new ATOM 0 HG22 VAL Y 3 7.506 5.119 -7.921 1.00 0.00 H new ATOM 0 HG23 VAL Y 3 8.688 6.167 -8.741 1.00 0.00 H new ATOM 1452 N HIS Y 4 10.955 2.139 -6.415 1.00 0.00 N ATOM 1453 CA HIS Y 4 11.933 1.038 -6.300 1.00 0.00 C ATOM 1454 C HIS Y 4 11.252 -0.310 -6.536 1.00 0.00 C ATOM 1455 O HIS Y 4 10.224 -0.596 -5.929 1.00 0.00 O ATOM 1456 CB HIS Y 4 12.591 1.062 -4.894 1.00 0.00 C ATOM 1457 CG HIS Y 4 13.295 2.391 -4.624 1.00 0.00 C ATOM 1458 ND1 HIS Y 4 13.271 3.015 -3.367 1.00 0.00 N ATOM 1459 CD2 HIS Y 4 14.058 3.217 -5.425 1.00 0.00 C ATOM 1460 CE1 HIS Y 4 13.992 4.149 -3.463 1.00 0.00 C ATOM 1461 NE2 HIS Y 4 14.492 4.321 -4.691 1.00 0.00 N ATOM 0 H HIS Y 4 10.197 2.110 -5.733 1.00 0.00 H new ATOM 0 HA HIS Y 4 12.704 1.174 -7.059 1.00 0.00 H new ATOM 0 HB2 HIS Y 4 11.830 0.892 -4.133 1.00 0.00 H new ATOM 0 HB3 HIS Y 4 13.310 0.246 -4.814 1.00 0.00 H new ATOM 0 HD2 HIS Y 4 14.285 3.035 -6.465 1.00 0.00 H new ATOM 0 HE1 HIS Y 4 14.148 4.837 -2.645 1.00 0.00 H new ATOM 0 HE2 HIS Y 4 15.068 5.095 -5.021 1.00 0.00 H new ATOM 1468 N LEU Y 5 11.833 -1.144 -7.410 1.00 0.00 N ATOM 1469 CA LEU Y 5 11.269 -2.476 -7.711 1.00 0.00 C ATOM 1470 C LEU Y 5 12.194 -3.574 -7.189 1.00 0.00 C ATOM 1471 O LEU Y 5 13.360 -3.652 -7.577 1.00 0.00 O ATOM 1472 CB LEU Y 5 11.084 -2.633 -9.235 1.00 0.00 C ATOM 1473 CG LEU Y 5 9.715 -2.087 -9.665 1.00 0.00 C ATOM 1474 CD1 LEU Y 5 9.574 -0.624 -9.231 1.00 0.00 C ATOM 1475 CD2 LEU Y 5 9.586 -2.191 -11.190 1.00 0.00 C ATOM 0 H LEU Y 5 12.689 -0.925 -7.921 1.00 0.00 H new ATOM 0 HA LEU Y 5 10.301 -2.566 -7.218 1.00 0.00 H new ATOM 0 HB2 LEU Y 5 11.877 -2.101 -9.761 1.00 0.00 H new ATOM 0 HB3 LEU Y 5 11.167 -3.684 -9.512 1.00 0.00 H new ATOM 0 HG LEU Y 5 8.927 -2.672 -9.191 1.00 0.00 H new ATOM 0 HD11 LEU Y 5 8.600 -0.245 -9.540 1.00 0.00 H new ATOM 0 HD12 LEU Y 5 9.662 -0.556 -8.147 1.00 0.00 H new ATOM 0 HD13 LEU Y 5 10.359 -0.029 -9.697 1.00 0.00 H new ATOM 0 HD21 LEU Y 5 8.615 -1.804 -11.500 1.00 0.00 H new ATOM 0 HD22 LEU Y 5 10.377 -1.608 -11.663 1.00 0.00 H new ATOM 0 HD23 LEU Y 5 9.674 -3.235 -11.492 1.00 0.00 H new ATOM 1487 N GLN Y 6 11.659 -4.435 -6.321 1.00 0.00 N ATOM 1488 CA GLN Y 6 12.437 -5.540 -5.768 1.00 0.00 C ATOM 1489 C GLN Y 6 11.547 -6.772 -5.633 1.00 0.00 C ATOM 1490 O GLN Y 6 10.635 -6.811 -4.801 1.00 0.00 O ATOM 1491 CB GLN Y 6 13.010 -5.130 -4.404 1.00 0.00 C ATOM 1492 CG GLN Y 6 13.959 -6.213 -3.884 1.00 0.00 C ATOM 1493 CD GLN Y 6 14.465 -5.846 -2.489 1.00 0.00 C ATOM 1494 OE1 GLN Y 6 13.686 -5.742 -1.543 1.00 0.00 O ATOM 1495 NE2 GLN Y 6 15.737 -5.624 -2.309 1.00 0.00 N ATOM 0 H GLN Y 6 10.696 -4.387 -5.989 1.00 0.00 H new ATOM 0 HA GLN Y 6 13.265 -5.781 -6.435 1.00 0.00 H new ATOM 0 HB2 GLN Y 6 13.542 -4.183 -4.494 1.00 0.00 H new ATOM 0 HB3 GLN Y 6 12.199 -4.974 -3.692 1.00 0.00 H new ATOM 0 HG2 GLN Y 6 13.444 -7.173 -3.851 1.00 0.00 H new ATOM 0 HG3 GLN Y 6 14.802 -6.327 -4.566 1.00 0.00 H new ATOM 0 HE21 GLN Y 6 16.385 -5.710 -3.092 1.00 0.00 H new ATOM 0 HE22 GLN Y 6 16.084 -5.365 -1.385 1.00 0.00 H new ATOM 1504 N ILE Y 7 11.807 -7.778 -6.474 1.00 0.00 N ATOM 1505 CA ILE Y 7 11.013 -9.008 -6.462 1.00 0.00 C ATOM 1506 C ILE Y 7 11.926 -10.232 -6.578 1.00 0.00 C ATOM 1507 O ILE Y 7 11.492 -11.307 -6.200 1.00 0.00 O ATOM 1508 CB ILE Y 7 9.984 -8.974 -7.620 1.00 0.00 C ATOM 1509 CG1 ILE Y 7 10.618 -9.442 -8.947 1.00 0.00 C ATOM 1510 CG2 ILE Y 7 9.466 -7.544 -7.797 1.00 0.00 C ATOM 1511 CD1 ILE Y 7 9.630 -9.240 -10.105 1.00 0.00 C ATOM 1512 OXT ILE Y 7 13.043 -10.073 -7.043 1.00 0.00 O ATOM 0 H ILE Y 7 12.556 -7.764 -7.167 1.00 0.00 H new ATOM 0 HA ILE Y 7 10.474 -9.079 -5.517 1.00 0.00 H new ATOM 0 HB ILE Y 7 9.167 -9.649 -7.367 1.00 0.00 H new ATOM 0 HG12 ILE Y 7 11.534 -8.883 -9.138 1.00 0.00 H new ATOM 0 HG13 ILE Y 7 10.896 -10.494 -8.875 1.00 0.00 H new ATOM 0 HG21 ILE Y 7 8.742 -7.518 -8.611 1.00 0.00 H new ATOM 0 HG22 ILE Y 7 8.988 -7.214 -6.875 1.00 0.00 H new ATOM 0 HG23 ILE Y 7 10.299 -6.881 -8.031 1.00 0.00 H new ATOM 0 HD11 ILE Y 7 10.088 -9.574 -11.036 1.00 0.00 H new ATOM 0 HD12 ILE Y 7 8.726 -9.819 -9.917 1.00 0.00 H new ATOM 0 HD13 ILE Y 7 9.374 -8.184 -10.185 1.00 0.00 H new