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= -0.328 K(o=-4.8,f=-5.4) USER MOD Set 1.2: O 4 HIS : no HD1:sc= -1.09 K(o=-4.8,f=-5.8!) USER MOD Set 1.3: Q 2 HIS : no HD1:sc= -1.77 K(o=-4.8,f=-6.5!) USER MOD Set 1.4: Q 4 HIS : no HE2:sc= 0.00475 K(o=-4.8,f=-5.3) USER MOD Set 1.5: S 2 HIS : no HE2:sc= 0.0809 K(o=-4.8,f=-8.3) USER MOD Set 1.6: S 4 HIS : no HD1:sc= -0.356 K(o=-4.8,f=-5.5) USER MOD Set 1.7: U 2 HIS : no HD1:sc= -1.89 K(o=-4.8,f=-6.1!) USER MOD Set 1.8: U 4 HIS : no HE2:sc= 0 X(o=-4.8,f=-5.2) USER MOD Set 1.9: W 2 HIS : +bothHN:sc= 0.354 K(o=-4.8,f=-12!) USER MOD Set 1.10: W 4 HIS : no HD1:sc= -0.293 X(o=-4.8,f=-4.9) USER MOD Set 1.11: Y 2 HIS : no HD1:sc= 0 X(o=-4.8,f=-5) USER MOD Set 1.12: Y 4 HIS : no HD1:sc= 0.508 K(o=-4.8,f=-8.1) USER MOD Set 2.1: O 6 GLN : amide:sc= 0.784 K(o=3.2,f=1.7) USER MOD Set 2.2: Q 6 GLN : amide:sc= 1.15 K(o=3.2,f=-1.8!) USER MOD Set 2.3: S 6 GLN : amide:sc= 0.532 K(o=3.2,f=-5.7!) USER MOD Set 2.4: U 6 GLN : amide:sc= 0.691 K(o=3.2,f=-4.3!) USER MOD Set 2.5: W 6 GLN : amide:sc= 0.305 K(o=3.2,f=-7!) USER MOD Set 2.6: Y 6 GLN : amide:sc= -0.264 K(o=3.2,f=-6.4!) USER MOD Set 3.1: A 6 GLN : amide:sc= 0.719 K(o=3.3,f=1.9) USER MOD Set 3.2: C 6 GLN : amide:sc= 1.15 K(o=3.3,f=-1.3!) USER MOD Set 3.3: E 6 GLN : amide:sc= 0.459 K(o=3.3,f=-5.3!) USER MOD Set 3.4: G 6 GLN : amide:sc= 0.742 K(o=3.3,f=-4.8!) USER MOD Set 3.5: I 6 GLN : amide:sc= 0.344 K(o=3.3,f=-7!) USER MOD Set 3.6: K 6 GLN : amide:sc= -0.142 K(o=3.3,f=-6.1!) USER MOD Set 4.1: A 2 HIS : no HE2:sc= -0.281 K(o=-5.6,f=-6.5) USER MOD Set 4.2: A 4 HIS : no HD1:sc= -1.34 K(o=-5.6,f=-6.7!) USER MOD Set 4.3: C 2 HIS : no HD1:sc= -1.77 K(o=-5.6,f=-7.6!) USER MOD Set 4.4: C 4 HIS : no HE2:sc= 0.0101 K(o=-5.6,f=-6.4) USER MOD Set 4.5: E 2 HIS : no HE2:sc= -0.0415 K(o=-5.6,f=-9.3) USER MOD Set 4.6: E 4 HIS : no HD1:sc= -0.366 K(o=-5.6,f=-6.3) USER MOD Set 4.7: G 2 HIS : no HD1:sc= -1.68 K(o=-5.6,f=-7.8!) USER MOD Set 4.8: G 4 HIS : no HE2:sc= 0 X(o=-5.6,f=-6) USER MOD Set 4.9: I 2 HIS : +bothHN:sc= 0.107 K(o=-5.6,f=-11!) USER MOD Set 4.10: I 4 HIS : no HD1:sc= -0.297 K(o=-5.6,f=-6.2) USER MOD Set 4.11: K 2 HIS : no HD1:sc= 0 X(o=-5.6,f=-5.7) USER MOD Set 4.12: K 4 HIS : no HD1:sc= 0.0622 X(o=-5.6,f=-6) USER MOD Single : A 1 ILE N :NH3+ -156:sc= -0.127 (180deg=-0.819) USER MOD Single : C 1 ILE N :NH3+ -150:sc= -0.204 (180deg=-1.11) USER MOD Single : E 1 ILE N :NH3+ -153:sc= -0.119 (180deg=-0.857) USER MOD Single : G 1 ILE N :NH3+ -137:sc= -0.165 (180deg=-1.11!) USER MOD Single : I 1 ILE N :NH3+ -132:sc= -0.142 (180deg=-0.837) USER MOD Single : K 1 ILE N :NH3+ -153:sc= -0.18 (180deg=-1.13) USER MOD Single : O 1 ILE N :NH3+ -152:sc= -0.174 (180deg=-0.847) USER MOD Single : Q 1 ILE N :NH3+ -149:sc= -0.229 (180deg=-1.1) USER MOD Single : S 1 ILE N :NH3+ -152:sc= -0.124 (180deg=-0.842) USER MOD Single : U 1 ILE N :NH3+ -152:sc= -0.24 (180deg=-1.15!) USER MOD Single : W 1 ILE N :NH3+ -154:sc= -0.119 (180deg=-0.833) USER MOD Single : Y 1 ILE N :NH3+ -139:sc= -0.252 (180deg=-1.14) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 -11.266 -11.743 7.100 1.00 0.00 N ATOM 2 CA ILE A 1 -11.409 -10.517 7.934 1.00 0.00 C ATOM 3 C ILE A 1 -11.360 -9.282 7.038 1.00 0.00 C ATOM 4 O ILE A 1 -10.435 -9.111 6.234 1.00 0.00 O ATOM 5 CB ILE A 1 -10.271 -10.457 8.963 1.00 0.00 C ATOM 6 CG1 ILE A 1 -10.397 -11.636 9.933 1.00 0.00 C ATOM 7 CG2 ILE A 1 -10.355 -9.149 9.749 1.00 0.00 C ATOM 8 CD1 ILE A 1 -9.133 -11.725 10.792 1.00 0.00 C ATOM 0 H1 ILE A 1 -11.690 -12.552 7.597 1.00 0.00 H new ATOM 0 H2 ILE A 1 -11.751 -11.603 6.191 1.00 0.00 H new ATOM 0 H3 ILE A 1 -10.257 -11.931 6.929 1.00 0.00 H new ATOM 0 HA ILE A 1 -12.364 -10.545 8.458 1.00 0.00 H new ATOM 0 HB ILE A 1 -9.314 -10.508 8.443 1.00 0.00 H new ATOM 0 HG12 ILE A 1 -11.273 -11.507 10.568 1.00 0.00 H new ATOM 0 HG13 ILE A 1 -10.539 -12.564 9.379 1.00 0.00 H new ATOM 0 HG21 ILE A 1 -9.546 -9.110 10.478 1.00 0.00 H new ATOM 0 HG22 ILE A 1 -10.266 -8.306 9.063 1.00 0.00 H new ATOM 0 HG23 ILE A 1 -11.313 -9.096 10.267 1.00 0.00 H new ATOM 0 HD11 ILE A 1 -9.221 -12.563 11.483 1.00 0.00 H new ATOM 0 HD12 ILE A 1 -8.266 -11.874 10.149 1.00 0.00 H new ATOM 0 HD13 ILE A 1 -9.011 -10.801 11.357 1.00 0.00 H new ATOM 22 N HIS A 2 -12.358 -8.410 7.183 1.00 0.00 N ATOM 23 CA HIS A 2 -12.406 -7.198 6.414 1.00 0.00 C ATOM 24 C HIS A 2 -12.247 -6.009 7.354 1.00 0.00 C ATOM 25 O HIS A 2 -13.062 -5.818 8.257 1.00 0.00 O ATOM 26 CB HIS A 2 -13.798 -7.169 5.752 1.00 0.00 C ATOM 27 CG HIS A 2 -14.120 -5.811 5.203 1.00 0.00 C ATOM 28 ND1 HIS A 2 -15.423 -5.295 5.187 1.00 0.00 N ATOM 29 CD2 HIS A 2 -13.337 -4.875 4.604 1.00 0.00 C ATOM 30 CE1 HIS A 2 -15.373 -4.097 4.592 1.00 0.00 C ATOM 31 NE2 HIS A 2 -14.134 -3.784 4.212 1.00 0.00 N ATOM 0 H HIS A 2 -13.137 -8.534 7.830 1.00 0.00 H new ATOM 0 HA HIS A 2 -11.614 -7.152 5.666 1.00 0.00 H new ATOM 0 HB2 HIS A 2 -13.835 -7.905 4.949 1.00 0.00 H new ATOM 0 HB3 HIS A 2 -14.555 -7.456 6.482 1.00 0.00 H new ATOM 0 HD1 HIS A 2 -16.257 -5.749 5.560 1.00 0.00 H new ATOM 0 HD2 HIS A 2 -12.271 -4.956 4.453 1.00 0.00 H new ATOM 0 HE1 HIS A 2 -16.232 -3.461 4.438 1.00 0.00 H new ATOM 38 N VAL A 3 -11.230 -5.181 7.114 1.00 0.00 N ATOM 39 CA VAL A 3 -11.022 -3.975 7.924 1.00 0.00 C ATOM 40 C VAL A 3 -11.109 -2.747 7.034 1.00 0.00 C ATOM 41 O VAL A 3 -10.347 -2.627 6.073 1.00 0.00 O ATOM 42 CB VAL A 3 -9.656 -4.029 8.621 1.00 0.00 C ATOM 43 CG1 VAL A 3 -9.624 -5.203 9.611 1.00 0.00 C ATOM 44 CG2 VAL A 3 -8.557 -4.216 7.571 1.00 0.00 C ATOM 0 H VAL A 3 -10.542 -5.319 6.373 1.00 0.00 H new ATOM 0 HA VAL A 3 -11.796 -3.921 8.690 1.00 0.00 H new ATOM 0 HB VAL A 3 -9.490 -3.098 9.163 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -8.652 -5.237 10.103 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -10.405 -5.069 10.359 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -9.792 -6.137 9.074 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -7.586 -4.255 8.064 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -8.726 -5.146 7.029 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -8.576 -3.380 6.872 1.00 0.00 H new ATOM 54 N HIS A 4 -12.019 -1.824 7.351 1.00 0.00 N ATOM 55 CA HIS A 4 -12.160 -0.614 6.575 1.00 0.00 C ATOM 56 C HIS A 4 -11.893 0.632 7.413 1.00 0.00 C ATOM 57 O HIS A 4 -12.461 0.799 8.490 1.00 0.00 O ATOM 58 CB HIS A 4 -13.569 -0.594 5.960 1.00 0.00 C ATOM 59 CG HIS A 4 -13.585 0.295 4.748 1.00 0.00 C ATOM 60 ND1 HIS A 4 -13.878 -0.155 3.449 1.00 0.00 N ATOM 61 CD2 HIS A 4 -13.344 1.623 4.640 1.00 0.00 C ATOM 62 CE1 HIS A 4 -13.800 0.911 2.636 1.00 0.00 C ATOM 63 NE2 HIS A 4 -13.482 2.022 3.308 1.00 0.00 N ATOM 0 H HIS A 4 -12.662 -1.901 8.139 1.00 0.00 H new ATOM 0 HA HIS A 4 -11.415 -0.605 5.780 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -13.869 -1.605 5.684 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -14.291 -0.236 6.694 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -13.084 2.276 5.460 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -13.973 0.875 1.571 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -13.365 2.962 2.929 1.00 0.00 H new ATOM 71 N LEU A 5 -11.048 1.522 6.889 1.00 0.00 N ATOM 72 CA LEU A 5 -10.724 2.780 7.568 1.00 0.00 C ATOM 73 C LEU A 5 -10.962 3.947 6.614 1.00 0.00 C ATOM 74 O LEU A 5 -10.291 4.065 5.587 1.00 0.00 O ATOM 75 CB LEU A 5 -9.259 2.770 8.006 1.00 0.00 C ATOM 76 CG LEU A 5 -8.993 1.583 8.948 1.00 0.00 C ATOM 77 CD1 LEU A 5 -7.501 1.546 9.309 1.00 0.00 C ATOM 78 CD2 LEU A 5 -9.833 1.731 10.231 1.00 0.00 C ATOM 0 H LEU A 5 -10.574 1.395 5.995 1.00 0.00 H new ATOM 0 HA LEU A 5 -11.360 2.890 8.446 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -8.611 2.702 7.132 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -9.017 3.705 8.511 1.00 0.00 H new ATOM 0 HG LEU A 5 -9.272 0.656 8.447 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -7.309 0.706 9.977 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -6.910 1.430 8.401 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -7.224 2.475 9.806 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -9.639 0.887 10.892 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -9.564 2.658 10.737 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -10.892 1.753 9.972 1.00 0.00 H new ATOM 90 N GLN A 6 -11.904 4.820 6.961 1.00 0.00 N ATOM 91 CA GLN A 6 -12.205 5.988 6.130 1.00 0.00 C ATOM 92 C GLN A 6 -11.964 7.247 6.954 1.00 0.00 C ATOM 93 O GLN A 6 -12.674 7.511 7.923 1.00 0.00 O ATOM 94 CB GLN A 6 -13.663 5.929 5.656 1.00 0.00 C ATOM 95 CG GLN A 6 -13.957 7.105 4.722 1.00 0.00 C ATOM 96 CD GLN A 6 -15.429 7.103 4.325 1.00 0.00 C ATOM 97 OE1 GLN A 6 -16.306 7.171 5.185 1.00 0.00 O ATOM 98 NE2 GLN A 6 -15.752 7.036 3.062 1.00 0.00 N ATOM 0 H GLN A 6 -12.470 4.744 7.806 1.00 0.00 H new ATOM 0 HA GLN A 6 -11.560 5.999 5.251 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -13.848 4.988 5.139 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -14.335 5.958 6.514 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -13.707 8.044 5.217 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -13.332 7.037 3.832 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -15.022 6.980 2.351 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -16.734 7.040 2.786 1.00 0.00 H new ATOM 107 N ILE A 7 -10.942 8.014 6.574 1.00 0.00 N ATOM 108 CA ILE A 7 -10.591 9.239 7.298 1.00 0.00 C ATOM 109 C ILE A 7 -10.880 10.465 6.439 1.00 0.00 C ATOM 110 O ILE A 7 -10.579 10.422 5.257 1.00 0.00 O ATOM 111 CB ILE A 7 -9.102 9.207 7.665 1.00 0.00 C ATOM 112 CG1 ILE A 7 -8.738 7.833 8.253 1.00 0.00 C ATOM 113 CG2 ILE A 7 -8.785 10.302 8.689 1.00 0.00 C ATOM 114 CD1 ILE A 7 -9.601 7.516 9.482 1.00 0.00 C ATOM 115 OXT ILE A 7 -11.401 11.431 6.974 1.00 0.00 O ATOM 0 H ILE A 7 -10.344 7.811 5.773 1.00 0.00 H new ATOM 0 HA ILE A 7 -11.192 9.297 8.206 1.00 0.00 H new ATOM 0 HB ILE A 7 -8.516 9.382 6.763 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -8.878 7.061 7.497 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -7.684 7.820 8.531 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -7.725 10.269 8.941 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -9.027 11.277 8.266 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -9.377 10.140 9.590 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -9.324 6.539 9.879 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -9.440 8.277 10.246 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -10.653 7.506 9.195 1.00 0.00 H new ATOM 128 N ILE C 1 -7.987 -11.769 3.451 1.00 0.00 N ATOM 129 CA ILE C 1 -8.166 -10.535 4.268 1.00 0.00 C ATOM 130 C ILE C 1 -8.181 -9.323 3.345 1.00 0.00 C ATOM 131 O ILE C 1 -7.260 -9.120 2.537 1.00 0.00 O ATOM 132 CB ILE C 1 -7.013 -10.420 5.278 1.00 0.00 C ATOM 133 CG1 ILE C 1 -7.064 -11.624 6.224 1.00 0.00 C ATOM 134 CG2 ILE C 1 -7.156 -9.132 6.093 1.00 0.00 C ATOM 135 CD1 ILE C 1 -5.790 -11.665 7.068 1.00 0.00 C ATOM 0 H1 ILE C 1 -8.458 -12.568 3.921 1.00 0.00 H new ATOM 0 H2 ILE C 1 -8.405 -11.626 2.510 1.00 0.00 H new ATOM 0 H3 ILE C 1 -6.973 -11.975 3.352 1.00 0.00 H new ATOM 0 HA ILE C 1 -9.109 -10.582 4.813 1.00 0.00 H new ATOM 0 HB ILE C 1 -6.063 -10.399 4.744 1.00 0.00 H new ATOM 0 HG12 ILE C 1 -7.939 -11.555 6.870 1.00 0.00 H new ATOM 0 HG13 ILE C 1 -7.163 -12.546 5.651 1.00 0.00 H new ATOM 0 HG21 ILE C 1 -6.335 -9.059 6.806 1.00 0.00 H new ATOM 0 HG22 ILE C 1 -7.132 -8.273 5.423 1.00 0.00 H new ATOM 0 HG23 ILE C 1 -8.104 -9.146 6.632 1.00 0.00 H new ATOM 0 HD11 ILE C 1 -5.827 -12.522 7.741 1.00 0.00 H new ATOM 0 HD12 ILE C 1 -4.923 -11.754 6.414 1.00 0.00 H new ATOM 0 HD13 ILE C 1 -5.711 -10.748 7.652 1.00 0.00 H new ATOM 149 N HIS C 2 -9.230 -8.507 3.455 1.00 0.00 N ATOM 150 CA HIS C 2 -9.315 -7.301 2.623 1.00 0.00 C ATOM 151 C HIS C 2 -9.183 -6.069 3.520 1.00 0.00 C ATOM 152 O HIS C 2 -10.002 -5.872 4.424 1.00 0.00 O ATOM 153 CB HIS C 2 -10.681 -7.269 1.896 1.00 0.00 C ATOM 154 CG HIS C 2 -10.638 -8.072 0.611 1.00 0.00 C ATOM 155 ND1 HIS C 2 -10.891 -7.494 -0.625 1.00 0.00 N ATOM 156 CD2 HIS C 2 -10.403 -9.405 0.352 1.00 0.00 C ATOM 157 CE1 HIS C 2 -10.804 -8.464 -1.556 1.00 0.00 C ATOM 158 NE2 HIS C 2 -10.509 -9.646 -1.014 1.00 0.00 N ATOM 0 H HIS C 2 -10.013 -8.650 4.092 1.00 0.00 H new ATOM 0 HA HIS C 2 -8.515 -7.306 1.882 1.00 0.00 H new ATOM 0 HB2 HIS C 2 -11.454 -7.669 2.552 1.00 0.00 H new ATOM 0 HB3 HIS C 2 -10.954 -6.237 1.674 1.00 0.00 H new ATOM 0 HD2 HIS C 2 -10.171 -10.151 1.098 1.00 0.00 H new ATOM 0 HE1 HIS C 2 -10.955 -8.304 -2.613 1.00 0.00 H new ATOM 0 HE2 HIS C 2 -10.387 -10.536 -1.497 1.00 0.00 H new ATOM 166 N VAL C 3 -8.199 -5.207 3.236 1.00 0.00 N ATOM 167 CA VAL C 3 -8.044 -3.961 3.999 1.00 0.00 C ATOM 168 C VAL C 3 -8.258 -2.779 3.053 1.00 0.00 C ATOM 169 O VAL C 3 -7.589 -2.672 2.019 1.00 0.00 O ATOM 170 CB VAL C 3 -6.659 -3.908 4.688 1.00 0.00 C ATOM 171 CG1 VAL C 3 -6.298 -5.301 5.235 1.00 0.00 C ATOM 172 CG2 VAL C 3 -5.585 -3.463 3.702 1.00 0.00 C ATOM 0 H VAL C 3 -7.509 -5.344 2.497 1.00 0.00 H new ATOM 0 HA VAL C 3 -8.789 -3.914 4.794 1.00 0.00 H new ATOM 0 HB VAL C 3 -6.708 -3.189 5.506 1.00 0.00 H new ATOM 0 HG11 VAL C 3 -5.322 -5.260 5.719 1.00 0.00 H new ATOM 0 HG12 VAL C 3 -7.050 -5.613 5.960 1.00 0.00 H new ATOM 0 HG13 VAL C 3 -6.266 -6.017 4.414 1.00 0.00 H new ATOM 0 HG21 VAL C 3 -4.619 -3.432 4.206 1.00 0.00 H new ATOM 0 HG22 VAL C 3 -5.539 -4.168 2.872 1.00 0.00 H new ATOM 0 HG23 VAL C 3 -5.828 -2.471 3.323 1.00 0.00 H new ATOM 182 N HIS C 4 -9.179 -1.888 3.406 1.00 0.00 N ATOM 183 CA HIS C 4 -9.453 -0.710 2.572 1.00 0.00 C ATOM 184 C HIS C 4 -9.160 0.565 3.361 1.00 0.00 C ATOM 185 O HIS C 4 -9.660 0.727 4.475 1.00 0.00 O ATOM 186 CB HIS C 4 -10.940 -0.717 2.128 1.00 0.00 C ATOM 187 CG HIS C 4 -11.323 -2.019 1.413 1.00 0.00 C ATOM 188 ND1 HIS C 4 -12.532 -2.683 1.668 1.00 0.00 N ATOM 189 CD2 HIS C 4 -10.693 -2.772 0.441 1.00 0.00 C ATOM 190 CE1 HIS C 4 -12.577 -3.768 0.873 1.00 0.00 C ATOM 191 NE2 HIS C 4 -11.487 -3.873 0.108 1.00 0.00 N ATOM 0 H HIS C 4 -9.745 -1.952 4.252 1.00 0.00 H new ATOM 0 HA HIS C 4 -8.813 -0.741 1.691 1.00 0.00 H new ATOM 0 HB2 HIS C 4 -11.579 -0.582 3.001 1.00 0.00 H new ATOM 0 HB3 HIS C 4 -11.124 0.128 1.464 1.00 0.00 H new ATOM 0 HD1 HIS C 4 -13.248 -2.395 2.335 1.00 0.00 H new ATOM 0 HD2 HIS C 4 -9.732 -2.544 0.004 1.00 0.00 H new ATOM 0 HE1 HIS C 4 -13.397 -4.470 0.856 1.00 0.00 H new ATOM 198 N LEU C 5 -8.381 1.487 2.782 1.00 0.00 N ATOM 199 CA LEU C 5 -8.080 2.754 3.462 1.00 0.00 C ATOM 200 C LEU C 5 -8.262 3.926 2.509 1.00 0.00 C ATOM 201 O LEU C 5 -7.619 3.999 1.459 1.00 0.00 O ATOM 202 CB LEU C 5 -6.652 2.748 4.022 1.00 0.00 C ATOM 203 CG LEU C 5 -6.471 1.567 5.009 1.00 0.00 C ATOM 204 CD1 LEU C 5 -5.983 0.310 4.269 1.00 0.00 C ATOM 205 CD2 LEU C 5 -5.443 1.938 6.085 1.00 0.00 C ATOM 0 H LEU C 5 -7.954 1.384 1.861 1.00 0.00 H new ATOM 0 HA LEU C 5 -8.776 2.864 4.293 1.00 0.00 H new ATOM 0 HB2 LEU C 5 -5.934 2.664 3.206 1.00 0.00 H new ATOM 0 HB3 LEU C 5 -6.448 3.691 4.530 1.00 0.00 H new ATOM 0 HG LEU C 5 -7.436 1.360 5.471 1.00 0.00 H new ATOM 0 HD11 LEU C 5 -5.862 -0.507 4.980 1.00 0.00 H new ATOM 0 HD12 LEU C 5 -6.714 0.027 3.512 1.00 0.00 H new ATOM 0 HD13 LEU C 5 -5.026 0.518 3.790 1.00 0.00 H new ATOM 0 HD21 LEU C 5 -5.321 1.103 6.775 1.00 0.00 H new ATOM 0 HD22 LEU C 5 -4.486 2.161 5.613 1.00 0.00 H new ATOM 0 HD23 LEU C 5 -5.790 2.814 6.633 1.00 0.00 H new ATOM 217 N GLN C 6 -9.136 4.854 2.895 1.00 0.00 N ATOM 218 CA GLN C 6 -9.399 6.045 2.091 1.00 0.00 C ATOM 219 C GLN C 6 -9.071 7.279 2.919 1.00 0.00 C ATOM 220 O GLN C 6 -9.705 7.535 3.943 1.00 0.00 O ATOM 221 CB GLN C 6 -10.873 6.068 1.662 1.00 0.00 C ATOM 222 CG GLN C 6 -11.142 7.283 0.769 1.00 0.00 C ATOM 223 CD GLN C 6 -12.625 7.356 0.423 1.00 0.00 C ATOM 224 OE1 GLN C 6 -13.468 7.464 1.314 1.00 0.00 O ATOM 225 NE2 GLN C 6 -12.995 7.303 -0.828 1.00 0.00 N ATOM 0 H GLN C 6 -9.674 4.803 3.760 1.00 0.00 H new ATOM 0 HA GLN C 6 -8.778 6.033 1.195 1.00 0.00 H new ATOM 0 HB2 GLN C 6 -11.118 5.151 1.126 1.00 0.00 H new ATOM 0 HB3 GLN C 6 -11.515 6.104 2.542 1.00 0.00 H new ATOM 0 HG2 GLN C 6 -10.834 8.195 1.279 1.00 0.00 H new ATOM 0 HG3 GLN C 6 -10.550 7.213 -0.144 1.00 0.00 H new ATOM 0 HE21 GLN C 6 -12.294 7.214 -1.564 1.00 0.00 H new ATOM 0 HE22 GLN C 6 -13.985 7.351 -1.070 1.00 0.00 H new ATOM 234 N ILE C 7 -8.065 8.031 2.481 1.00 0.00 N ATOM 235 CA ILE C 7 -7.636 9.233 3.198 1.00 0.00 C ATOM 236 C ILE C 7 -7.948 10.480 2.379 1.00 0.00 C ATOM 237 O ILE C 7 -8.947 11.118 2.665 1.00 0.00 O ATOM 238 CB ILE C 7 -6.127 9.157 3.456 1.00 0.00 C ATOM 239 CG1 ILE C 7 -5.765 7.776 4.028 1.00 0.00 C ATOM 240 CG2 ILE C 7 -5.708 10.253 4.439 1.00 0.00 C ATOM 241 CD1 ILE C 7 -6.560 7.491 5.311 1.00 0.00 C ATOM 242 OXT ILE C 7 -7.181 10.780 1.479 1.00 0.00 O ATOM 0 H ILE C 7 -7.531 7.832 1.635 1.00 0.00 H new ATOM 0 HA ILE C 7 -8.173 9.291 4.145 1.00 0.00 H new ATOM 0 HB ILE C 7 -5.598 9.304 2.515 1.00 0.00 H new ATOM 0 HG12 ILE C 7 -5.973 7.004 3.287 1.00 0.00 H new ATOM 0 HG13 ILE C 7 -4.697 7.734 4.240 1.00 0.00 H new ATOM 0 HG21 ILE C 7 -4.634 10.191 4.617 1.00 0.00 H new ATOM 0 HG22 ILE C 7 -5.951 11.230 4.020 1.00 0.00 H new ATOM 0 HG23 ILE C 7 -6.240 10.119 5.381 1.00 0.00 H new ATOM 0 HD11 ILE C 7 -6.287 6.509 5.697 1.00 0.00 H new ATOM 0 HD12 ILE C 7 -6.331 8.251 6.058 1.00 0.00 H new ATOM 0 HD13 ILE C 7 -7.627 7.510 5.090 1.00 0.00 H new ATOM 255 N ILE E 1 -5.186 -11.788 -0.549 1.00 0.00 N ATOM 256 CA ILE E 1 -5.260 -10.544 0.268 1.00 0.00 C ATOM 257 C ILE E 1 -5.307 -9.335 -0.658 1.00 0.00 C ATOM 258 O ILE E 1 -4.467 -9.188 -1.559 1.00 0.00 O ATOM 259 CB ILE E 1 -4.031 -10.459 1.182 1.00 0.00 C ATOM 260 CG1 ILE E 1 -4.066 -11.614 2.185 1.00 0.00 C ATOM 261 CG2 ILE E 1 -4.028 -9.130 1.939 1.00 0.00 C ATOM 262 CD1 ILE E 1 -2.731 -11.685 2.924 1.00 0.00 C ATOM 0 H1 ILE E 1 -5.600 -12.579 -0.015 1.00 0.00 H new ATOM 0 H2 ILE E 1 -5.714 -11.654 -1.435 1.00 0.00 H new ATOM 0 H3 ILE E 1 -4.192 -12.001 -0.768 1.00 0.00 H new ATOM 0 HA ILE E 1 -6.160 -10.559 0.883 1.00 0.00 H new ATOM 0 HB ILE E 1 -3.129 -10.523 0.573 1.00 0.00 H new ATOM 0 HG12 ILE E 1 -4.880 -11.469 2.895 1.00 0.00 H new ATOM 0 HG13 ILE E 1 -4.258 -12.554 1.668 1.00 0.00 H new ATOM 0 HG21 ILE E 1 -3.151 -9.081 2.585 1.00 0.00 H new ATOM 0 HG22 ILE E 1 -4.001 -8.306 1.227 1.00 0.00 H new ATOM 0 HG23 ILE E 1 -4.930 -9.055 2.546 1.00 0.00 H new ATOM 0 HD11 ILE E 1 -2.754 -12.507 3.639 1.00 0.00 H new ATOM 0 HD12 ILE E 1 -1.927 -11.850 2.207 1.00 0.00 H new ATOM 0 HD13 ILE E 1 -2.558 -10.748 3.454 1.00 0.00 H new ATOM 276 N HIS E 2 -6.289 -8.460 -0.427 1.00 0.00 N ATOM 277 CA HIS E 2 -6.414 -7.266 -1.228 1.00 0.00 C ATOM 278 C HIS E 2 -6.158 -6.055 -0.351 1.00 0.00 C ATOM 279 O HIS E 2 -6.887 -5.835 0.620 1.00 0.00 O ATOM 280 CB HIS E 2 -7.865 -7.221 -1.741 1.00 0.00 C ATOM 281 CG HIS E 2 -8.197 -5.872 -2.319 1.00 0.00 C ATOM 282 ND1 HIS E 2 -9.465 -5.276 -2.207 1.00 0.00 N ATOM 283 CD2 HIS E 2 -7.448 -5.012 -3.061 1.00 0.00 C ATOM 284 CE1 HIS E 2 -9.426 -4.118 -2.874 1.00 0.00 C ATOM 285 NE2 HIS E 2 -8.230 -3.899 -3.416 1.00 0.00 N ATOM 0 H HIS E 2 -6.995 -8.564 0.302 1.00 0.00 H new ATOM 0 HA HIS E 2 -5.704 -7.266 -2.055 1.00 0.00 H new ATOM 0 HB2 HIS E 2 -8.009 -7.990 -2.500 1.00 0.00 H new ATOM 0 HB3 HIS E 2 -8.550 -7.448 -0.924 1.00 0.00 H new ATOM 0 HD1 HIS E 2 -10.269 -5.657 -1.708 1.00 0.00 H new ATOM 0 HD2 HIS E 2 -6.414 -5.161 -3.335 1.00 0.00 H new ATOM 0 HE1 HIS E 2 -10.264 -3.442 -2.962 1.00 0.00 H new ATOM 292 N VAL E 3 -5.175 -5.232 -0.718 1.00 0.00 N ATOM 293 CA VAL E 3 -4.914 -4.005 0.035 1.00 0.00 C ATOM 294 C VAL E 3 -5.089 -2.797 -0.865 1.00 0.00 C ATOM 295 O VAL E 3 -4.405 -2.678 -1.884 1.00 0.00 O ATOM 296 CB VAL E 3 -3.502 -4.046 0.650 1.00 0.00 C ATOM 297 CG1 VAL E 3 -3.367 -5.245 1.612 1.00 0.00 C ATOM 298 CG2 VAL E 3 -2.475 -4.193 -0.468 1.00 0.00 C ATOM 0 H VAL E 3 -4.558 -5.387 -1.515 1.00 0.00 H new ATOM 0 HA VAL E 3 -5.631 -3.926 0.852 1.00 0.00 H new ATOM 0 HB VAL E 3 -3.332 -3.123 1.205 1.00 0.00 H new ATOM 0 HG11 VAL E 3 -2.364 -5.259 2.037 1.00 0.00 H new ATOM 0 HG12 VAL E 3 -4.100 -5.153 2.414 1.00 0.00 H new ATOM 0 HG13 VAL E 3 -3.542 -6.172 1.065 1.00 0.00 H new ATOM 0 HG21 VAL E 3 -1.473 -4.223 -0.040 1.00 0.00 H new ATOM 0 HG22 VAL E 3 -2.663 -5.116 -1.016 1.00 0.00 H new ATOM 0 HG23 VAL E 3 -2.554 -3.345 -1.148 1.00 0.00 H new ATOM 308 N HIS E 4 -5.992 -1.887 -0.484 1.00 0.00 N ATOM 309 CA HIS E 4 -6.213 -0.692 -1.260 1.00 0.00 C ATOM 310 C HIS E 4 -5.914 0.567 -0.456 1.00 0.00 C ATOM 311 O HIS E 4 -6.417 0.740 0.656 1.00 0.00 O ATOM 312 CB HIS E 4 -7.659 -0.706 -1.782 1.00 0.00 C ATOM 313 CG HIS E 4 -7.768 0.172 -2.998 1.00 0.00 C ATOM 314 ND1 HIS E 4 -8.105 -0.297 -4.282 1.00 0.00 N ATOM 315 CD2 HIS E 4 -7.589 1.508 -3.124 1.00 0.00 C ATOM 316 CE1 HIS E 4 -8.114 0.767 -5.101 1.00 0.00 C ATOM 317 NE2 HIS E 4 -7.809 1.893 -4.448 1.00 0.00 N ATOM 0 H HIS E 4 -6.571 -1.966 0.352 1.00 0.00 H new ATOM 0 HA HIS E 4 -5.525 -0.679 -2.105 1.00 0.00 H new ATOM 0 HB2 HIS E 4 -7.956 -1.725 -2.030 1.00 0.00 H new ATOM 0 HB3 HIS E 4 -8.339 -0.355 -1.006 1.00 0.00 H new ATOM 0 HD2 HIS E 4 -7.317 2.176 -2.320 1.00 0.00 H new ATOM 0 HE1 HIS E 4 -8.340 0.719 -6.156 1.00 0.00 H new ATOM 0 HE2 HIS E 4 -7.750 2.835 -4.835 1.00 0.00 H new ATOM 325 N LEU E 5 -5.120 1.456 -1.050 1.00 0.00 N ATOM 326 CA LEU E 5 -4.768 2.727 -0.417 1.00 0.00 C ATOM 327 C LEU E 5 -5.098 3.871 -1.371 1.00 0.00 C ATOM 328 O LEU E 5 -4.536 3.949 -2.467 1.00 0.00 O ATOM 329 CB LEU E 5 -3.266 2.757 -0.109 1.00 0.00 C ATOM 330 CG LEU E 5 -2.885 1.584 0.809 1.00 0.00 C ATOM 331 CD1 LEU E 5 -1.369 1.600 1.058 1.00 0.00 C ATOM 332 CD2 LEU E 5 -3.636 1.700 2.145 1.00 0.00 C ATOM 0 H LEU E 5 -4.707 1.319 -1.972 1.00 0.00 H new ATOM 0 HA LEU E 5 -5.333 2.834 0.509 1.00 0.00 H new ATOM 0 HB2 LEU E 5 -2.697 2.701 -1.037 1.00 0.00 H new ATOM 0 HB3 LEU E 5 -3.005 3.701 0.369 1.00 0.00 H new ATOM 0 HG LEU E 5 -3.162 0.645 0.329 1.00 0.00 H new ATOM 0 HD11 LEU E 5 -1.098 0.769 1.709 1.00 0.00 H new ATOM 0 HD12 LEU E 5 -0.843 1.503 0.108 1.00 0.00 H new ATOM 0 HD13 LEU E 5 -1.088 2.540 1.534 1.00 0.00 H new ATOM 0 HD21 LEU E 5 -3.361 0.866 2.790 1.00 0.00 H new ATOM 0 HD22 LEU E 5 -3.370 2.638 2.632 1.00 0.00 H new ATOM 0 HD23 LEU E 5 -4.710 1.678 1.962 1.00 0.00 H new ATOM 344 N GLN E 6 -5.991 4.766 -0.954 1.00 0.00 N ATOM 345 CA GLN E 6 -6.362 5.912 -1.788 1.00 0.00 C ATOM 346 C GLN E 6 -6.084 7.196 -1.018 1.00 0.00 C ATOM 347 O GLN E 6 -6.722 7.471 -0.002 1.00 0.00 O ATOM 348 CB GLN E 6 -7.849 5.826 -2.162 1.00 0.00 C ATOM 349 CG GLN E 6 -8.212 6.974 -3.110 1.00 0.00 C ATOM 350 CD GLN E 6 -9.703 6.955 -3.418 1.00 0.00 C ATOM 351 OE1 GLN E 6 -10.532 6.983 -2.506 1.00 0.00 O ATOM 352 NE2 GLN E 6 -10.096 6.931 -4.663 1.00 0.00 N ATOM 0 H GLN E 6 -6.468 4.723 -0.053 1.00 0.00 H new ATOM 0 HA GLN E 6 -5.774 5.906 -2.706 1.00 0.00 H new ATOM 0 HB2 GLN E 6 -8.059 4.868 -2.638 1.00 0.00 H new ATOM 0 HB3 GLN E 6 -8.463 5.876 -1.263 1.00 0.00 H new ATOM 0 HG2 GLN E 6 -7.939 7.928 -2.658 1.00 0.00 H new ATOM 0 HG3 GLN E 6 -7.642 6.885 -4.035 1.00 0.00 H new ATOM 0 HE21 GLN E 6 -9.407 6.908 -5.415 1.00 0.00 H new ATOM 0 HE22 GLN E 6 -11.092 6.935 -4.884 1.00 0.00 H new ATOM 361 N ILE E 7 -5.113 7.973 -1.499 1.00 0.00 N ATOM 362 CA ILE E 7 -4.735 9.225 -0.839 1.00 0.00 C ATOM 363 C ILE E 7 -5.110 10.419 -1.711 1.00 0.00 C ATOM 364 O ILE E 7 -4.944 10.323 -2.916 1.00 0.00 O ATOM 365 CB ILE E 7 -3.221 9.237 -0.583 1.00 0.00 C ATOM 366 CG1 ILE E 7 -2.774 7.883 -0.003 1.00 0.00 C ATOM 367 CG2 ILE E 7 -2.863 10.363 0.395 1.00 0.00 C ATOM 368 CD1 ILE E 7 -3.522 7.568 1.300 1.00 0.00 C ATOM 369 OXT ILE E 7 -5.559 11.411 -1.162 1.00 0.00 O ATOM 0 H ILE E 7 -4.576 7.760 -2.339 1.00 0.00 H new ATOM 0 HA ILE E 7 -5.269 9.296 0.109 1.00 0.00 H new ATOM 0 HB ILE E 7 -2.706 9.408 -1.528 1.00 0.00 H new ATOM 0 HG12 ILE E 7 -2.957 7.093 -0.732 1.00 0.00 H new ATOM 0 HG13 ILE E 7 -1.700 7.901 0.185 1.00 0.00 H new ATOM 0 HG21 ILE E 7 -1.787 10.364 0.571 1.00 0.00 H new ATOM 0 HG22 ILE E 7 -3.162 11.322 -0.029 1.00 0.00 H new ATOM 0 HG23 ILE E 7 -3.385 10.205 1.339 1.00 0.00 H new ATOM 0 HD11 ILE E 7 -3.187 6.606 1.688 1.00 0.00 H new ATOM 0 HD12 ILE E 7 -3.317 8.347 2.034 1.00 0.00 H new ATOM 0 HD13 ILE E 7 -4.593 7.527 1.104 1.00 0.00 H new ATOM 382 N ILE G 1 -1.848 -11.778 -4.276 1.00 0.00 N ATOM 383 CA ILE G 1 -2.014 -10.531 -3.477 1.00 0.00 C ATOM 384 C ILE G 1 -2.063 -9.338 -4.419 1.00 0.00 C ATOM 385 O ILE G 1 -1.151 -9.131 -5.237 1.00 0.00 O ATOM 386 CB ILE G 1 -0.835 -10.385 -2.510 1.00 0.00 C ATOM 387 CG1 ILE G 1 -0.819 -11.590 -1.565 1.00 0.00 C ATOM 388 CG2 ILE G 1 -0.992 -9.098 -1.695 1.00 0.00 C ATOM 389 CD1 ILE G 1 0.477 -11.589 -0.761 1.00 0.00 C ATOM 0 H1 ILE G 1 -2.477 -12.517 -3.901 1.00 0.00 H new ATOM 0 H2 ILE G 1 -2.090 -11.588 -5.270 1.00 0.00 H new ATOM 0 H3 ILE G 1 -0.861 -12.100 -4.215 1.00 0.00 H new ATOM 0 HA ILE G 1 -2.941 -10.578 -2.905 1.00 0.00 H new ATOM 0 HB ILE G 1 0.098 -10.340 -3.071 1.00 0.00 H new ATOM 0 HG12 ILE G 1 -1.676 -11.550 -0.893 1.00 0.00 H new ATOM 0 HG13 ILE G 1 -0.904 -12.515 -2.136 1.00 0.00 H new ATOM 0 HG21 ILE G 1 -0.152 -8.997 -1.008 1.00 0.00 H new ATOM 0 HG22 ILE G 1 -1.015 -8.241 -2.369 1.00 0.00 H new ATOM 0 HG23 ILE G 1 -1.922 -9.138 -1.127 1.00 0.00 H new ATOM 0 HD11 ILE G 1 0.489 -12.447 -0.088 1.00 0.00 H new ATOM 0 HD12 ILE G 1 1.327 -11.650 -1.441 1.00 0.00 H new ATOM 0 HD13 ILE G 1 0.543 -10.670 -0.178 1.00 0.00 H new ATOM 403 N HIS G 2 -3.129 -8.540 -4.312 1.00 0.00 N ATOM 404 CA HIS G 2 -3.247 -7.354 -5.168 1.00 0.00 C ATOM 405 C HIS G 2 -3.116 -6.099 -4.309 1.00 0.00 C ATOM 406 O HIS G 2 -3.911 -5.892 -3.388 1.00 0.00 O ATOM 407 CB HIS G 2 -4.628 -7.358 -5.867 1.00 0.00 C ATOM 408 CG HIS G 2 -4.587 -8.166 -7.147 1.00 0.00 C ATOM 409 ND1 HIS G 2 -4.861 -7.601 -8.385 1.00 0.00 N ATOM 410 CD2 HIS G 2 -4.338 -9.497 -7.397 1.00 0.00 C ATOM 411 CE1 HIS G 2 -4.772 -8.576 -9.309 1.00 0.00 C ATOM 412 NE2 HIS G 2 -4.455 -9.751 -8.761 1.00 0.00 N ATOM 0 H HIS G 2 -3.902 -8.685 -3.662 1.00 0.00 H new ATOM 0 HA HIS G 2 -2.459 -7.366 -5.921 1.00 0.00 H new ATOM 0 HB2 HIS G 2 -5.379 -7.773 -5.195 1.00 0.00 H new ATOM 0 HB3 HIS G 2 -4.930 -6.334 -6.089 1.00 0.00 H new ATOM 0 HD2 HIS G 2 -4.089 -10.234 -6.647 1.00 0.00 H new ATOM 0 HE1 HIS G 2 -4.937 -8.426 -10.366 1.00 0.00 H new ATOM 0 HE2 HIS G 2 -4.326 -10.643 -9.239 1.00 0.00 H new ATOM 420 N VAL G 3 -2.153 -5.230 -4.645 1.00 0.00 N ATOM 421 CA VAL G 3 -1.996 -3.964 -3.921 1.00 0.00 C ATOM 422 C VAL G 3 -2.258 -2.805 -4.877 1.00 0.00 C ATOM 423 O VAL G 3 -1.627 -2.705 -5.934 1.00 0.00 O ATOM 424 CB VAL G 3 -0.589 -3.872 -3.280 1.00 0.00 C ATOM 425 CG1 VAL G 3 -0.186 -5.246 -2.712 1.00 0.00 C ATOM 426 CG2 VAL G 3 0.438 -3.443 -4.319 1.00 0.00 C ATOM 0 H VAL G 3 -1.483 -5.377 -5.400 1.00 0.00 H new ATOM 0 HA VAL G 3 -2.720 -3.914 -3.108 1.00 0.00 H new ATOM 0 HB VAL G 3 -0.620 -3.134 -2.478 1.00 0.00 H new ATOM 0 HG11 VAL G 3 0.804 -5.177 -2.262 1.00 0.00 H new ATOM 0 HG12 VAL G 3 -0.908 -5.553 -1.955 1.00 0.00 H new ATOM 0 HG13 VAL G 3 -0.169 -5.981 -3.516 1.00 0.00 H new ATOM 0 HG21 VAL G 3 1.422 -3.383 -3.854 1.00 0.00 H new ATOM 0 HG22 VAL G 3 0.463 -4.172 -5.129 1.00 0.00 H new ATOM 0 HG23 VAL G 3 0.165 -2.466 -4.719 1.00 0.00 H new ATOM 436 N HIS G 4 -3.184 -1.923 -4.502 1.00 0.00 N ATOM 437 CA HIS G 4 -3.511 -0.762 -5.337 1.00 0.00 C ATOM 438 C HIS G 4 -3.212 0.526 -4.573 1.00 0.00 C ATOM 439 O HIS G 4 -3.674 0.691 -3.443 1.00 0.00 O ATOM 440 CB HIS G 4 -5.016 -0.801 -5.727 1.00 0.00 C ATOM 441 CG HIS G 4 -5.394 -2.116 -6.417 1.00 0.00 C ATOM 442 ND1 HIS G 4 -6.578 -2.810 -6.119 1.00 0.00 N ATOM 443 CD2 HIS G 4 -4.773 -2.868 -7.395 1.00 0.00 C ATOM 444 CE1 HIS G 4 -6.616 -3.906 -6.896 1.00 0.00 C ATOM 445 NE2 HIS G 4 -5.545 -3.993 -7.690 1.00 0.00 N ATOM 0 H HIS G 4 -3.718 -1.986 -3.635 1.00 0.00 H new ATOM 0 HA HIS G 4 -2.904 -0.792 -6.242 1.00 0.00 H new ATOM 0 HB2 HIS G 4 -5.626 -0.672 -4.833 1.00 0.00 H new ATOM 0 HB3 HIS G 4 -5.241 0.034 -6.390 1.00 0.00 H new ATOM 0 HD1 HIS G 4 -7.282 -2.532 -5.436 1.00 0.00 H new ATOM 0 HD2 HIS G 4 -3.831 -2.622 -7.862 1.00 0.00 H new ATOM 0 HE1 HIS G 4 -7.417 -4.630 -6.880 1.00 0.00 H new ATOM 452 N LEU G 5 -2.470 1.452 -5.187 1.00 0.00 N ATOM 453 CA LEU G 5 -2.163 2.731 -4.533 1.00 0.00 C ATOM 454 C LEU G 5 -2.405 3.887 -5.493 1.00 0.00 C ATOM 455 O LEU G 5 -1.797 3.957 -6.563 1.00 0.00 O ATOM 456 CB LEU G 5 -0.710 2.756 -4.043 1.00 0.00 C ATOM 457 CG LEU G 5 -0.463 1.598 -3.042 1.00 0.00 C ATOM 458 CD1 LEU G 5 0.001 0.327 -3.779 1.00 0.00 C ATOM 459 CD2 LEU G 5 0.615 2.011 -2.031 1.00 0.00 C ATOM 0 H LEU G 5 -2.075 1.345 -6.121 1.00 0.00 H new ATOM 0 HA LEU G 5 -2.823 2.839 -3.672 1.00 0.00 H new ATOM 0 HB2 LEU G 5 -0.031 2.665 -4.891 1.00 0.00 H new ATOM 0 HB3 LEU G 5 -0.496 3.712 -3.565 1.00 0.00 H new ATOM 0 HG LEU G 5 -1.400 1.386 -2.526 1.00 0.00 H new ATOM 0 HD11 LEU G 5 0.168 -0.472 -3.057 1.00 0.00 H new ATOM 0 HD12 LEU G 5 -0.765 0.019 -4.490 1.00 0.00 H new ATOM 0 HD13 LEU G 5 0.929 0.534 -4.312 1.00 0.00 H new ATOM 0 HD21 LEU G 5 0.787 1.195 -1.329 1.00 0.00 H new ATOM 0 HD22 LEU G 5 1.542 2.236 -2.559 1.00 0.00 H new ATOM 0 HD23 LEU G 5 0.283 2.895 -1.486 1.00 0.00 H new ATOM 471 N GLN G 6 -3.285 4.805 -5.092 1.00 0.00 N ATOM 472 CA GLN G 6 -3.597 5.979 -5.908 1.00 0.00 C ATOM 473 C GLN G 6 -3.255 7.235 -5.119 1.00 0.00 C ATOM 474 O GLN G 6 -3.862 7.515 -4.085 1.00 0.00 O ATOM 475 CB GLN G 6 -5.087 5.969 -6.284 1.00 0.00 C ATOM 476 CG GLN G 6 -5.413 7.165 -7.185 1.00 0.00 C ATOM 477 CD GLN G 6 -6.908 7.203 -7.483 1.00 0.00 C ATOM 478 OE1 GLN G 6 -7.733 7.287 -6.566 1.00 0.00 O ATOM 479 NE2 GLN G 6 -7.310 7.147 -8.725 1.00 0.00 N ATOM 0 H GLN G 6 -3.793 4.759 -4.209 1.00 0.00 H new ATOM 0 HA GLN G 6 -3.010 5.961 -6.826 1.00 0.00 H new ATOM 0 HB2 GLN G 6 -5.334 5.040 -6.797 1.00 0.00 H new ATOM 0 HB3 GLN G 6 -5.698 6.007 -5.382 1.00 0.00 H new ATOM 0 HG2 GLN G 6 -5.107 8.091 -6.698 1.00 0.00 H new ATOM 0 HG3 GLN G 6 -4.850 7.093 -8.116 1.00 0.00 H new ATOM 0 HE21 GLN G 6 -6.627 7.078 -9.479 1.00 0.00 H new ATOM 0 HE22 GLN G 6 -8.307 7.173 -8.940 1.00 0.00 H new ATOM 488 N ILE G 7 -2.266 7.982 -5.605 1.00 0.00 N ATOM 489 CA ILE G 7 -1.824 9.204 -4.931 1.00 0.00 C ATOM 490 C ILE G 7 -2.171 10.432 -5.767 1.00 0.00 C ATOM 491 O ILE G 7 -3.158 11.078 -5.452 1.00 0.00 O ATOM 492 CB ILE G 7 -0.306 9.144 -4.720 1.00 0.00 C ATOM 493 CG1 ILE G 7 0.082 7.782 -4.121 1.00 0.00 C ATOM 494 CG2 ILE G 7 0.136 10.270 -3.783 1.00 0.00 C ATOM 495 CD1 ILE G 7 -0.675 7.527 -2.810 1.00 0.00 C ATOM 496 OXT ILE G 7 -1.444 10.710 -6.706 1.00 0.00 O ATOM 0 H ILE G 7 -1.756 7.765 -6.461 1.00 0.00 H new ATOM 0 HA ILE G 7 -2.332 9.280 -3.970 1.00 0.00 H new ATOM 0 HB ILE G 7 0.193 9.267 -5.681 1.00 0.00 H new ATOM 0 HG12 ILE G 7 -0.141 6.989 -4.835 1.00 0.00 H new ATOM 0 HG13 ILE G 7 1.156 7.753 -3.937 1.00 0.00 H new ATOM 0 HG21 ILE G 7 1.215 10.220 -3.638 1.00 0.00 H new ATOM 0 HG22 ILE G 7 -0.127 11.233 -4.221 1.00 0.00 H new ATOM 0 HG23 ILE G 7 -0.364 10.160 -2.821 1.00 0.00 H new ATOM 0 HD11 ILE G 7 -0.384 6.558 -2.405 1.00 0.00 H new ATOM 0 HD12 ILE G 7 -0.431 8.309 -2.091 1.00 0.00 H new ATOM 0 HD13 ILE G 7 -1.748 7.533 -3.002 1.00 0.00 H new ATOM 509 N ILE I 1 0.968 -11.865 -8.333 1.00 0.00 N ATOM 510 CA ILE I 1 0.889 -10.606 -7.540 1.00 0.00 C ATOM 511 C ILE I 1 0.782 -9.420 -8.485 1.00 0.00 C ATOM 512 O ILE I 1 1.590 -9.273 -9.414 1.00 0.00 O ATOM 513 CB ILE I 1 2.150 -10.460 -6.682 1.00 0.00 C ATOM 514 CG1 ILE I 1 2.209 -11.602 -5.671 1.00 0.00 C ATOM 515 CG2 ILE I 1 2.121 -9.126 -5.935 1.00 0.00 C ATOM 516 CD1 ILE I 1 3.581 -11.600 -5.002 1.00 0.00 C ATOM 0 H1 ILE I 1 0.297 -12.560 -7.949 1.00 0.00 H new ATOM 0 H2 ILE I 1 0.730 -11.666 -9.326 1.00 0.00 H new ATOM 0 H3 ILE I 1 1.933 -12.249 -8.279 1.00 0.00 H new ATOM 0 HA ILE I 1 0.012 -10.639 -6.894 1.00 0.00 H new ATOM 0 HB ILE I 1 3.028 -10.492 -7.328 1.00 0.00 H new ATOM 0 HG12 ILE I 1 1.425 -11.484 -4.923 1.00 0.00 H new ATOM 0 HG13 ILE I 1 2.034 -12.556 -6.169 1.00 0.00 H new ATOM 0 HG21 ILE I 1 3.021 -9.030 -5.327 1.00 0.00 H new ATOM 0 HG22 ILE I 1 2.079 -8.307 -6.654 1.00 0.00 H new ATOM 0 HG23 ILE I 1 1.242 -9.089 -5.291 1.00 0.00 H new ATOM 0 HD11 ILE I 1 3.634 -12.413 -4.277 1.00 0.00 H new ATOM 0 HD12 ILE I 1 4.354 -11.737 -5.758 1.00 0.00 H new ATOM 0 HD13 ILE I 1 3.736 -10.649 -4.493 1.00 0.00 H new ATOM 530 N HIS I 2 -0.207 -8.556 -8.238 1.00 0.00 N ATOM 531 CA HIS I 2 -0.376 -7.379 -9.056 1.00 0.00 C ATOM 532 C HIS I 2 -0.107 -6.149 -8.212 1.00 0.00 C ATOM 533 O HIS I 2 -0.808 -5.920 -7.223 1.00 0.00 O ATOM 534 CB HIS I 2 -1.845 -7.357 -9.523 1.00 0.00 C ATOM 535 CG HIS I 2 -2.198 -6.026 -10.132 1.00 0.00 C ATOM 536 ND1 HIS I 2 -3.467 -5.433 -10.005 1.00 0.00 N ATOM 537 CD2 HIS I 2 -1.468 -5.178 -10.906 1.00 0.00 C ATOM 538 CE1 HIS I 2 -3.444 -4.287 -10.695 1.00 0.00 C ATOM 539 NE2 HIS I 2 -2.260 -4.076 -11.264 1.00 0.00 N ATOM 0 H HIS I 2 -0.888 -8.658 -7.486 1.00 0.00 H new ATOM 0 HA HIS I 2 0.306 -7.390 -9.906 1.00 0.00 H new ATOM 0 HB2 HIS I 2 -2.010 -8.150 -10.252 1.00 0.00 H new ATOM 0 HB3 HIS I 2 -2.502 -7.560 -8.677 1.00 0.00 H new ATOM 0 HD1 HIS I 2 -4.259 -5.808 -9.483 1.00 0.00 H new ATOM 0 HD2 HIS I 2 -0.440 -5.329 -11.199 1.00 0.00 H new ATOM 0 HE1 HIS I 2 -4.285 -3.615 -10.780 1.00 0.00 H new ATOM 0 HE2 HIS I 2 -1.985 -3.280 -11.840 1.00 0.00 H new ATOM 546 N VAL I 3 0.856 -5.318 -8.625 1.00 0.00 N ATOM 547 CA VAL I 3 1.117 -4.074 -7.901 1.00 0.00 C ATOM 548 C VAL I 3 0.895 -2.889 -8.816 1.00 0.00 C ATOM 549 O VAL I 3 1.551 -2.771 -9.851 1.00 0.00 O ATOM 550 CB VAL I 3 2.543 -4.075 -7.316 1.00 0.00 C ATOM 551 CG1 VAL I 3 2.723 -5.259 -6.344 1.00 0.00 C ATOM 552 CG2 VAL I 3 3.558 -4.209 -8.448 1.00 0.00 C ATOM 0 H VAL I 3 1.453 -5.479 -9.436 1.00 0.00 H new ATOM 0 HA VAL I 3 0.421 -3.995 -7.066 1.00 0.00 H new ATOM 0 HB VAL I 3 2.700 -3.140 -6.779 1.00 0.00 H new ATOM 0 HG11 VAL I 3 3.735 -5.247 -5.939 1.00 0.00 H new ATOM 0 HG12 VAL I 3 2.005 -5.173 -5.529 1.00 0.00 H new ATOM 0 HG13 VAL I 3 2.557 -6.195 -6.877 1.00 0.00 H new ATOM 0 HG21 VAL I 3 4.566 -4.210 -8.034 1.00 0.00 H new ATOM 0 HG22 VAL I 3 3.385 -5.143 -8.983 1.00 0.00 H new ATOM 0 HG23 VAL I 3 3.449 -3.371 -9.136 1.00 0.00 H new ATOM 562 N HIS I 4 -0.021 -1.992 -8.425 1.00 0.00 N ATOM 563 CA HIS I 4 -0.292 -0.814 -9.210 1.00 0.00 C ATOM 564 C HIS I 4 -0.009 0.466 -8.431 1.00 0.00 C ATOM 565 O HIS I 4 -0.497 0.646 -7.311 1.00 0.00 O ATOM 566 CB HIS I 4 -1.751 -0.875 -9.697 1.00 0.00 C ATOM 567 CG HIS I 4 -1.915 -0.012 -10.918 1.00 0.00 C ATOM 568 ND1 HIS I 4 -2.265 -0.504 -12.189 1.00 0.00 N ATOM 569 CD2 HIS I 4 -1.787 1.327 -11.059 1.00 0.00 C ATOM 570 CE1 HIS I 4 -2.334 0.551 -13.016 1.00 0.00 C ATOM 571 NE2 HIS I 4 -2.055 1.694 -12.380 1.00 0.00 N ATOM 0 H HIS I 4 -0.576 -2.073 -7.573 1.00 0.00 H new ATOM 0 HA HIS I 4 0.377 -0.794 -10.071 1.00 0.00 H new ATOM 0 HB2 HIS I 4 -2.024 -1.904 -9.928 1.00 0.00 H new ATOM 0 HB3 HIS I 4 -2.422 -0.536 -8.908 1.00 0.00 H new ATOM 0 HD2 HIS I 4 -1.518 2.011 -10.268 1.00 0.00 H new ATOM 0 HE1 HIS I 4 -2.584 0.485 -14.065 1.00 0.00 H new ATOM 0 HE2 HIS I 4 -2.041 2.634 -12.776 1.00 0.00 H new ATOM 579 N LEU I 5 0.747 1.368 -9.056 1.00 0.00 N ATOM 580 CA LEU I 5 1.078 2.660 -8.454 1.00 0.00 C ATOM 581 C LEU I 5 0.680 3.775 -9.413 1.00 0.00 C ATOM 582 O LEU I 5 1.188 3.841 -10.533 1.00 0.00 O ATOM 583 CB LEU I 5 2.587 2.741 -8.204 1.00 0.00 C ATOM 584 CG LEU I 5 3.041 1.590 -7.295 1.00 0.00 C ATOM 585 CD1 LEU I 5 4.564 1.662 -7.098 1.00 0.00 C ATOM 586 CD2 LEU I 5 2.332 1.688 -5.936 1.00 0.00 C ATOM 0 H LEU I 5 1.144 1.227 -9.985 1.00 0.00 H new ATOM 0 HA LEU I 5 0.543 2.766 -7.510 1.00 0.00 H new ATOM 0 HB2 LEU I 5 3.122 2.697 -9.153 1.00 0.00 H new ATOM 0 HB3 LEU I 5 2.835 3.697 -7.743 1.00 0.00 H new ATOM 0 HG LEU I 5 2.783 0.639 -7.760 1.00 0.00 H new ATOM 0 HD11 LEU I 5 4.886 0.845 -6.453 1.00 0.00 H new ATOM 0 HD12 LEU I 5 5.060 1.578 -8.065 1.00 0.00 H new ATOM 0 HD13 LEU I 5 4.827 2.614 -6.637 1.00 0.00 H new ATOM 0 HD21 LEU I 5 2.658 0.869 -5.295 1.00 0.00 H new ATOM 0 HD22 LEU I 5 2.580 2.639 -5.464 1.00 0.00 H new ATOM 0 HD23 LEU I 5 1.254 1.626 -6.083 1.00 0.00 H new ATOM 598 N GLN I 6 -0.212 4.662 -8.974 1.00 0.00 N ATOM 599 CA GLN I 6 -0.643 5.781 -9.813 1.00 0.00 C ATOM 600 C GLN I 6 -0.368 7.086 -9.081 1.00 0.00 C ATOM 601 O GLN I 6 -0.978 7.372 -8.051 1.00 0.00 O ATOM 602 CB GLN I 6 -2.139 5.652 -10.130 1.00 0.00 C ATOM 603 CG GLN I 6 -2.552 6.756 -11.105 1.00 0.00 C ATOM 604 CD GLN I 6 -4.052 6.701 -11.367 1.00 0.00 C ATOM 605 OE1 GLN I 6 -4.855 6.652 -10.430 1.00 0.00 O ATOM 606 NE2 GLN I 6 -4.479 6.696 -12.600 1.00 0.00 N ATOM 0 H GLN I 6 -0.647 4.629 -8.052 1.00 0.00 H new ATOM 0 HA GLN I 6 -0.090 5.771 -10.752 1.00 0.00 H new ATOM 0 HB2 GLN I 6 -2.347 4.674 -10.563 1.00 0.00 H new ATOM 0 HB3 GLN I 6 -2.723 5.725 -9.213 1.00 0.00 H new ATOM 0 HG2 GLN I 6 -2.284 7.730 -10.696 1.00 0.00 H new ATOM 0 HG3 GLN I 6 -2.008 6.643 -12.043 1.00 0.00 H new ATOM 0 HE21 GLN I 6 -3.812 6.737 -13.371 1.00 0.00 H new ATOM 0 HE22 GLN I 6 -5.480 6.652 -12.793 1.00 0.00 H new ATOM 615 N ILE I 7 0.572 7.869 -9.610 1.00 0.00 N ATOM 616 CA ILE I 7 0.948 9.142 -8.992 1.00 0.00 C ATOM 617 C ILE I 7 0.517 10.308 -9.877 1.00 0.00 C ATOM 618 O ILE I 7 0.615 10.177 -11.086 1.00 0.00 O ATOM 619 CB ILE I 7 2.471 9.187 -8.792 1.00 0.00 C ATOM 620 CG1 ILE I 7 2.965 7.853 -8.205 1.00 0.00 C ATOM 621 CG2 ILE I 7 2.847 10.337 -7.850 1.00 0.00 C ATOM 622 CD1 ILE I 7 2.271 7.549 -6.870 1.00 0.00 C ATOM 623 OXT ILE I 7 0.094 11.315 -9.333 1.00 0.00 O ATOM 0 H ILE I 7 1.086 7.646 -10.462 1.00 0.00 H new ATOM 0 HA ILE I 7 0.448 9.226 -8.027 1.00 0.00 H new ATOM 0 HB ILE I 7 2.946 9.350 -9.759 1.00 0.00 H new ATOM 0 HG12 ILE I 7 2.771 7.046 -8.912 1.00 0.00 H new ATOM 0 HG13 ILE I 7 4.044 7.894 -8.057 1.00 0.00 H new ATOM 0 HG21 ILE I 7 3.929 10.359 -7.716 1.00 0.00 H new ATOM 0 HG22 ILE I 7 2.516 11.282 -8.280 1.00 0.00 H new ATOM 0 HG23 ILE I 7 2.365 10.189 -6.884 1.00 0.00 H new ATOM 0 HD11 ILE I 7 2.638 6.601 -6.477 1.00 0.00 H new ATOM 0 HD12 ILE I 7 2.487 8.345 -6.158 1.00 0.00 H new ATOM 0 HD13 ILE I 7 1.194 7.484 -7.026 1.00 0.00 H new ATOM 636 N ILE K 1 4.222 -11.786 -12.073 1.00 0.00 N ATOM 637 CA ILE K 1 4.083 -10.531 -11.281 1.00 0.00 C ATOM 638 C ILE K 1 3.986 -9.357 -12.238 1.00 0.00 C ATOM 639 O ILE K 1 4.886 -9.143 -13.050 1.00 0.00 O ATOM 640 CB ILE K 1 5.312 -10.356 -10.383 1.00 0.00 C ATOM 641 CG1 ILE K 1 5.404 -11.552 -9.434 1.00 0.00 C ATOM 642 CG2 ILE K 1 5.175 -9.066 -9.572 1.00 0.00 C ATOM 643 CD1 ILE K 1 6.747 -11.527 -8.710 1.00 0.00 C ATOM 0 H1 ILE K 1 3.843 -12.585 -11.526 1.00 0.00 H new ATOM 0 H2 ILE K 1 3.694 -11.694 -12.964 1.00 0.00 H new ATOM 0 H3 ILE K 1 5.227 -11.955 -12.282 1.00 0.00 H new ATOM 0 HA ILE K 1 3.188 -10.580 -10.661 1.00 0.00 H new ATOM 0 HB ILE K 1 6.213 -10.299 -10.994 1.00 0.00 H new ATOM 0 HG12 ILE K 1 4.589 -11.519 -8.711 1.00 0.00 H new ATOM 0 HG13 ILE K 1 5.298 -12.482 -9.993 1.00 0.00 H new ATOM 0 HG21 ILE K 1 6.050 -8.943 -8.934 1.00 0.00 H new ATOM 0 HG22 ILE K 1 5.098 -8.216 -10.250 1.00 0.00 H new ATOM 0 HG23 ILE K 1 4.279 -9.119 -8.953 1.00 0.00 H new ATOM 0 HD11 ILE K 1 6.812 -12.380 -8.034 1.00 0.00 H new ATOM 0 HD12 ILE K 1 7.555 -11.580 -9.440 1.00 0.00 H new ATOM 0 HD13 ILE K 1 6.835 -10.603 -8.138 1.00 0.00 H new ATOM 657 N HIS K 2 2.902 -8.583 -12.140 1.00 0.00 N ATOM 658 CA HIS K 2 2.745 -7.418 -13.021 1.00 0.00 C ATOM 659 C HIS K 2 2.892 -6.146 -12.201 1.00 0.00 C ATOM 660 O HIS K 2 2.148 -5.936 -11.242 1.00 0.00 O ATOM 661 CB HIS K 2 1.340 -7.441 -13.669 1.00 0.00 C ATOM 662 CG HIS K 2 1.351 -8.239 -14.950 1.00 0.00 C ATOM 663 ND1 HIS K 2 1.031 -7.668 -16.174 1.00 0.00 N ATOM 664 CD2 HIS K 2 1.617 -9.561 -15.213 1.00 0.00 C ATOM 665 CE1 HIS K 2 1.112 -8.637 -17.106 1.00 0.00 C ATOM 666 NE2 HIS K 2 1.466 -9.809 -16.572 1.00 0.00 N ATOM 0 H HIS K 2 2.139 -8.733 -11.480 1.00 0.00 H new ATOM 0 HA HIS K 2 3.507 -7.449 -13.800 1.00 0.00 H new ATOM 0 HB2 HIS K 2 0.621 -7.873 -12.973 1.00 0.00 H new ATOM 0 HB3 HIS K 2 1.013 -6.422 -13.874 1.00 0.00 H new ATOM 0 HD2 HIS K 2 1.901 -10.297 -14.475 1.00 0.00 H new ATOM 0 HE1 HIS K 2 0.915 -8.485 -18.157 1.00 0.00 H new ATOM 0 HE2 HIS K 2 1.597 -10.696 -17.058 1.00 0.00 H new ATOM 674 N VAL K 3 3.825 -5.274 -12.604 1.00 0.00 N ATOM 675 CA VAL K 3 4.011 -4.000 -11.910 1.00 0.00 C ATOM 676 C VAL K 3 3.674 -2.845 -12.843 1.00 0.00 C ATOM 677 O VAL K 3 4.235 -2.734 -13.933 1.00 0.00 O ATOM 678 CB VAL K 3 5.455 -3.893 -11.379 1.00 0.00 C ATOM 679 CG1 VAL K 3 5.898 -5.238 -10.781 1.00 0.00 C ATOM 680 CG2 VAL K 3 6.410 -3.503 -12.516 1.00 0.00 C ATOM 0 H VAL K 3 4.452 -5.426 -13.394 1.00 0.00 H new ATOM 0 HA VAL K 3 3.335 -3.951 -11.056 1.00 0.00 H new ATOM 0 HB VAL K 3 5.484 -3.126 -10.605 1.00 0.00 H new ATOM 0 HG11 VAL K 3 6.919 -5.152 -10.409 1.00 0.00 H new ATOM 0 HG12 VAL K 3 5.234 -5.507 -9.960 1.00 0.00 H new ATOM 0 HG13 VAL K 3 5.856 -6.010 -11.550 1.00 0.00 H new ATOM 0 HG21 VAL K 3 7.426 -3.431 -12.129 1.00 0.00 H new ATOM 0 HG22 VAL K 3 6.373 -4.261 -13.298 1.00 0.00 H new ATOM 0 HG23 VAL K 3 6.110 -2.540 -12.929 1.00 0.00 H new ATOM 690 N HIS K 4 2.763 -1.974 -12.404 1.00 0.00 N ATOM 691 CA HIS K 4 2.365 -0.812 -13.207 1.00 0.00 C ATOM 692 C HIS K 4 2.687 0.485 -12.458 1.00 0.00 C ATOM 693 O HIS K 4 2.298 0.642 -11.302 1.00 0.00 O ATOM 694 CB HIS K 4 0.842 -0.884 -13.511 1.00 0.00 C ATOM 695 CG HIS K 4 0.458 -2.202 -14.194 1.00 0.00 C ATOM 696 ND1 HIS K 4 -0.689 -2.933 -13.842 1.00 0.00 N ATOM 697 CD2 HIS K 4 1.044 -2.923 -15.217 1.00 0.00 C ATOM 698 CE1 HIS K 4 -0.741 -4.018 -14.635 1.00 0.00 C ATOM 699 NE2 HIS K 4 0.287 -4.063 -15.487 1.00 0.00 N ATOM 0 H HIS K 4 2.289 -2.048 -11.504 1.00 0.00 H new ATOM 0 HA HIS K 4 2.921 -0.821 -14.145 1.00 0.00 H new ATOM 0 HB2 HIS K 4 0.281 -0.779 -12.582 1.00 0.00 H new ATOM 0 HB3 HIS K 4 0.559 -0.048 -14.150 1.00 0.00 H new ATOM 0 HD2 HIS K 4 1.952 -2.645 -15.731 1.00 0.00 H new ATOM 0 HE1 HIS K 4 -1.521 -4.764 -14.589 1.00 0.00 H new ATOM 0 HE2 HIS K 4 0.478 -4.780 -16.187 1.00 0.00 H new ATOM 706 N LEU K 5 3.366 1.425 -13.121 1.00 0.00 N ATOM 707 CA LEU K 5 3.693 2.718 -12.496 1.00 0.00 C ATOM 708 C LEU K 5 3.377 3.853 -13.459 1.00 0.00 C ATOM 709 O LEU K 5 3.907 3.902 -14.568 1.00 0.00 O ATOM 710 CB LEU K 5 5.176 2.768 -12.106 1.00 0.00 C ATOM 711 CG LEU K 5 5.512 1.615 -11.127 1.00 0.00 C ATOM 712 CD1 LEU K 5 5.971 0.364 -11.902 1.00 0.00 C ATOM 713 CD2 LEU K 5 6.631 2.056 -10.170 1.00 0.00 C ATOM 0 H LEU K 5 3.699 1.321 -14.080 1.00 0.00 H new ATOM 0 HA LEU K 5 3.090 2.830 -11.595 1.00 0.00 H new ATOM 0 HB2 LEU K 5 5.797 2.689 -12.998 1.00 0.00 H new ATOM 0 HB3 LEU K 5 5.405 3.727 -11.642 1.00 0.00 H new ATOM 0 HG LEU K 5 4.614 1.371 -10.559 1.00 0.00 H new ATOM 0 HD11 LEU K 5 6.203 -0.435 -11.198 1.00 0.00 H new ATOM 0 HD12 LEU K 5 5.175 0.038 -12.572 1.00 0.00 H new ATOM 0 HD13 LEU K 5 6.860 0.603 -12.485 1.00 0.00 H new ATOM 0 HD21 LEU K 5 6.864 1.242 -9.483 1.00 0.00 H new ATOM 0 HD22 LEU K 5 7.521 2.312 -10.745 1.00 0.00 H new ATOM 0 HD23 LEU K 5 6.302 2.927 -9.603 1.00 0.00 H new ATOM 725 N GLN K 6 2.522 4.775 -13.023 1.00 0.00 N ATOM 726 CA GLN K 6 2.151 5.926 -13.846 1.00 0.00 C ATOM 727 C GLN K 6 2.519 7.200 -13.098 1.00 0.00 C ATOM 728 O GLN K 6 1.944 7.506 -12.055 1.00 0.00 O ATOM 729 CB GLN K 6 0.643 5.887 -14.144 1.00 0.00 C ATOM 730 CG GLN K 6 0.255 7.060 -15.056 1.00 0.00 C ATOM 731 CD GLN K 6 -1.256 7.080 -15.279 1.00 0.00 C ATOM 732 OE1 GLN K 6 -2.031 7.146 -14.323 1.00 0.00 O ATOM 733 NE2 GLN K 6 -1.724 7.046 -16.498 1.00 0.00 N ATOM 0 H GLN K 6 2.074 4.749 -12.107 1.00 0.00 H new ATOM 0 HA GLN K 6 2.687 5.899 -14.795 1.00 0.00 H new ATOM 0 HB2 GLN K 6 0.383 4.943 -14.623 1.00 0.00 H new ATOM 0 HB3 GLN K 6 0.079 5.938 -13.213 1.00 0.00 H new ATOM 0 HG2 GLN K 6 0.576 8.000 -14.607 1.00 0.00 H new ATOM 0 HG3 GLN K 6 0.770 6.971 -16.013 1.00 0.00 H new ATOM 0 HE21 GLN K 6 -1.083 6.991 -17.289 1.00 0.00 H new ATOM 0 HE22 GLN K 6 -2.731 7.074 -16.659 1.00 0.00 H new ATOM 742 N ILE K 7 3.500 7.927 -13.629 1.00 0.00 N ATOM 743 CA ILE K 7 3.971 9.161 -12.998 1.00 0.00 C ATOM 744 C ILE K 7 3.577 10.374 -13.834 1.00 0.00 C ATOM 745 O ILE K 7 2.615 11.031 -13.471 1.00 0.00 O ATOM 746 CB ILE K 7 5.498 9.103 -12.860 1.00 0.00 C ATOM 747 CG1 ILE K 7 5.911 7.750 -12.260 1.00 0.00 C ATOM 748 CG2 ILE K 7 5.990 10.240 -11.962 1.00 0.00 C ATOM 749 CD1 ILE K 7 5.208 7.515 -10.915 1.00 0.00 C ATOM 750 OXT ILE K 7 4.243 10.630 -14.825 1.00 0.00 O ATOM 0 H ILE K 7 3.984 7.685 -14.493 1.00 0.00 H new ATOM 0 HA ILE K 7 3.512 9.255 -12.014 1.00 0.00 H new ATOM 0 HB ILE K 7 5.948 9.214 -13.847 1.00 0.00 H new ATOM 0 HG12 ILE K 7 5.659 6.947 -12.953 1.00 0.00 H new ATOM 0 HG13 ILE K 7 6.992 7.723 -12.121 1.00 0.00 H new ATOM 0 HG21 ILE K 7 7.075 10.189 -11.871 1.00 0.00 H new ATOM 0 HG22 ILE K 7 5.707 11.197 -12.399 1.00 0.00 H new ATOM 0 HG23 ILE K 7 5.539 10.145 -10.974 1.00 0.00 H new ATOM 0 HD11 ILE K 7 5.515 6.552 -10.508 1.00 0.00 H new ATOM 0 HD12 ILE K 7 5.482 8.307 -10.218 1.00 0.00 H new ATOM 0 HD13 ILE K 7 4.128 7.519 -11.063 1.00 0.00 H new ATOM 763 N ILE O 1 -3.984 11.485 12.945 1.00 0.00 N ATOM 764 CA ILE O 1 -4.726 10.242 13.292 1.00 0.00 C ATOM 765 C ILE O 1 -3.863 9.026 12.970 1.00 0.00 C ATOM 766 O ILE O 1 -3.348 8.881 11.852 1.00 0.00 O ATOM 767 CB ILE O 1 -6.033 10.177 12.487 1.00 0.00 C ATOM 768 CG1 ILE O 1 -6.945 11.336 12.897 1.00 0.00 C ATOM 769 CG2 ILE O 1 -6.743 8.855 12.771 1.00 0.00 C ATOM 770 CD1 ILE O 1 -8.123 11.424 11.924 1.00 0.00 C ATOM 0 H1 ILE O 1 -4.307 12.264 13.554 1.00 0.00 H new ATOM 0 H2 ILE O 1 -2.965 11.333 13.088 1.00 0.00 H new ATOM 0 H3 ILE O 1 -4.161 11.728 11.949 1.00 0.00 H new ATOM 0 HA ILE O 1 -4.961 10.247 14.356 1.00 0.00 H new ATOM 0 HB ILE O 1 -5.805 10.249 11.424 1.00 0.00 H new ATOM 0 HG12 ILE O 1 -7.309 11.185 13.913 1.00 0.00 H new ATOM 0 HG13 ILE O 1 -6.386 12.272 12.894 1.00 0.00 H new ATOM 0 HG21 ILE O 1 -7.670 8.810 12.200 1.00 0.00 H new ATOM 0 HG22 ILE O 1 -6.097 8.026 12.482 1.00 0.00 H new ATOM 0 HG23 ILE O 1 -6.969 8.785 13.835 1.00 0.00 H new ATOM 0 HD11 ILE O 1 -8.774 12.249 12.214 1.00 0.00 H new ATOM 0 HD12 ILE O 1 -7.749 11.595 10.914 1.00 0.00 H new ATOM 0 HD13 ILE O 1 -8.686 10.491 11.949 1.00 0.00 H new ATOM 784 N HIS O 2 -3.714 8.139 13.955 1.00 0.00 N ATOM 785 CA HIS O 2 -2.946 6.940 13.768 1.00 0.00 C ATOM 786 C HIS O 2 -3.879 5.738 13.852 1.00 0.00 C ATOM 787 O HIS O 2 -4.520 5.518 14.880 1.00 0.00 O ATOM 788 CB HIS O 2 -1.930 6.899 14.927 1.00 0.00 C ATOM 789 CG HIS O 2 -1.295 5.547 15.057 1.00 0.00 C ATOM 790 ND1 HIS O 2 -0.917 5.007 16.295 1.00 0.00 N ATOM 791 CD2 HIS O 2 -0.919 4.636 14.119 1.00 0.00 C ATOM 792 CE1 HIS O 2 -0.339 3.823 16.056 1.00 0.00 C ATOM 793 NE2 HIS O 2 -0.307 3.542 14.754 1.00 0.00 N ATOM 0 H HIS O 2 -4.121 8.242 14.885 1.00 0.00 H new ATOM 0 HA HIS O 2 -2.443 6.920 12.801 1.00 0.00 H new ATOM 0 HB2 HIS O 2 -1.158 7.650 14.761 1.00 0.00 H new ATOM 0 HB3 HIS O 2 -2.431 7.158 15.860 1.00 0.00 H new ATOM 0 HD1 HIS O 2 -1.057 5.437 17.209 1.00 0.00 H new ATOM 0 HD2 HIS O 2 -1.068 4.738 13.054 1.00 0.00 H new ATOM 0 HE1 HIS O 2 0.054 3.175 16.825 1.00 0.00 H new ATOM 800 N VAL O 3 -3.916 4.929 12.793 1.00 0.00 N ATOM 801 CA VAL O 3 -4.738 3.712 12.793 1.00 0.00 C ATOM 802 C VAL O 3 -3.840 2.500 12.610 1.00 0.00 C ATOM 803 O VAL O 3 -3.125 2.407 11.610 1.00 0.00 O ATOM 804 CB VAL O 3 -5.782 3.775 11.670 1.00 0.00 C ATOM 805 CG1 VAL O 3 -6.766 4.922 11.938 1.00 0.00 C ATOM 806 CG2 VAL O 3 -5.077 4.009 10.331 1.00 0.00 C ATOM 0 H VAL O 3 -3.394 5.089 11.932 1.00 0.00 H new ATOM 0 HA VAL O 3 -5.263 3.631 13.745 1.00 0.00 H new ATOM 0 HB VAL O 3 -6.330 2.833 11.635 1.00 0.00 H new ATOM 0 HG11 VAL O 3 -7.505 4.962 11.138 1.00 0.00 H new ATOM 0 HG12 VAL O 3 -7.270 4.754 12.889 1.00 0.00 H new ATOM 0 HG13 VAL O 3 -6.222 5.866 11.977 1.00 0.00 H new ATOM 0 HG21 VAL O 3 -5.818 4.054 9.533 1.00 0.00 H new ATOM 0 HG22 VAL O 3 -4.527 4.949 10.369 1.00 0.00 H new ATOM 0 HG23 VAL O 3 -4.384 3.191 10.137 1.00 0.00 H new ATOM 816 N HIS O 4 -3.880 1.560 13.558 1.00 0.00 N ATOM 817 CA HIS O 4 -3.080 0.362 13.457 1.00 0.00 C ATOM 818 C HIS O 4 -3.944 -0.894 13.413 1.00 0.00 C ATOM 819 O HIS O 4 -4.821 -1.085 14.253 1.00 0.00 O ATOM 820 CB HIS O 4 -2.095 0.335 14.639 1.00 0.00 C ATOM 821 CG HIS O 4 -0.915 -0.534 14.302 1.00 0.00 C ATOM 822 ND1 HIS O 4 0.408 -0.065 14.226 1.00 0.00 N ATOM 823 CD2 HIS O 4 -0.860 -1.856 14.021 1.00 0.00 C ATOM 824 CE1 HIS O 4 1.181 -1.116 13.909 1.00 0.00 C ATOM 825 NE2 HIS O 4 0.460 -2.233 13.774 1.00 0.00 N ATOM 0 H HIS O 4 -4.459 1.615 14.396 1.00 0.00 H new ATOM 0 HA HIS O 4 -2.524 0.375 12.520 1.00 0.00 H new ATOM 0 HB2 HIS O 4 -1.759 1.347 14.867 1.00 0.00 H new ATOM 0 HB3 HIS O 4 -2.594 -0.044 15.531 1.00 0.00 H new ATOM 0 HD2 HIS O 4 -1.711 -2.520 13.992 1.00 0.00 H new ATOM 0 HE1 HIS O 4 2.252 -1.065 13.779 1.00 0.00 H new ATOM 0 HE2 HIS O 4 0.803 -3.165 13.540 1.00 0.00 H new ATOM 833 N LEU O 5 -3.663 -1.765 12.442 1.00 0.00 N ATOM 834 CA LEU O 5 -4.391 -3.029 12.297 1.00 0.00 C ATOM 835 C LEU O 5 -3.395 -4.184 12.239 1.00 0.00 C ATOM 836 O LEU O 5 -2.590 -4.270 11.310 1.00 0.00 O ATOM 837 CB LEU O 5 -5.216 -3.006 11.010 1.00 0.00 C ATOM 838 CG LEU O 5 -6.211 -1.832 11.036 1.00 0.00 C ATOM 839 CD1 LEU O 5 -6.968 -1.779 9.700 1.00 0.00 C ATOM 840 CD2 LEU O 5 -7.213 -2.015 12.192 1.00 0.00 C ATOM 0 H LEU O 5 -2.935 -1.619 11.743 1.00 0.00 H new ATOM 0 HA LEU O 5 -5.057 -3.161 13.150 1.00 0.00 H new ATOM 0 HB2 LEU O 5 -4.556 -2.913 10.148 1.00 0.00 H new ATOM 0 HB3 LEU O 5 -5.755 -3.947 10.898 1.00 0.00 H new ATOM 0 HG LEU O 5 -5.665 -0.901 11.186 1.00 0.00 H new ATOM 0 HD11 LEU O 5 -7.674 -0.949 9.714 1.00 0.00 H new ATOM 0 HD12 LEU O 5 -6.258 -1.638 8.885 1.00 0.00 H new ATOM 0 HD13 LEU O 5 -7.510 -2.713 9.551 1.00 0.00 H new ATOM 0 HD21 LEU O 5 -7.913 -1.180 12.202 1.00 0.00 H new ATOM 0 HD22 LEU O 5 -7.762 -2.947 12.054 1.00 0.00 H new ATOM 0 HD23 LEU O 5 -6.674 -2.049 13.139 1.00 0.00 H new ATOM 852 N GLN O 6 -3.458 -5.078 13.222 1.00 0.00 N ATOM 853 CA GLN O 6 -2.563 -6.237 13.258 1.00 0.00 C ATOM 854 C GLN O 6 -3.404 -7.507 13.232 1.00 0.00 C ATOM 855 O GLN O 6 -4.134 -7.797 14.178 1.00 0.00 O ATOM 856 CB GLN O 6 -1.702 -6.191 14.527 1.00 0.00 C ATOM 857 CG GLN O 6 -0.708 -7.357 14.526 1.00 0.00 C ATOM 858 CD GLN O 6 0.084 -7.370 15.828 1.00 0.00 C ATOM 859 OE1 GLN O 6 -0.495 -7.472 16.910 1.00 0.00 O ATOM 860 NE2 GLN O 6 1.386 -7.276 15.788 1.00 0.00 N ATOM 0 H GLN O 6 -4.114 -5.025 14.001 1.00 0.00 H new ATOM 0 HA GLN O 6 -1.900 -6.223 12.393 1.00 0.00 H new ATOM 0 HB2 GLN O 6 -1.165 -5.244 14.578 1.00 0.00 H new ATOM 0 HB3 GLN O 6 -2.338 -6.245 15.411 1.00 0.00 H new ATOM 0 HG2 GLN O 6 -1.241 -8.300 14.406 1.00 0.00 H new ATOM 0 HG3 GLN O 6 -0.029 -7.265 13.679 1.00 0.00 H new ATOM 0 HE21 GLN O 6 1.864 -7.192 14.891 1.00 0.00 H new ATOM 0 HE22 GLN O 6 1.925 -7.287 16.654 1.00 0.00 H new ATOM 869 N ILE O 7 -3.313 -8.252 12.130 1.00 0.00 N ATOM 870 CA ILE O 7 -4.089 -9.484 11.971 1.00 0.00 C ATOM 871 C ILE O 7 -3.167 -10.698 11.989 1.00 0.00 C ATOM 872 O ILE O 7 -2.113 -10.629 11.378 1.00 0.00 O ATOM 873 CB ILE O 7 -4.850 -9.439 10.640 1.00 0.00 C ATOM 874 CG1 ILE O 7 -5.532 -8.070 10.473 1.00 0.00 C ATOM 875 CG2 ILE O 7 -5.907 -10.546 10.598 1.00 0.00 C ATOM 876 CD1 ILE O 7 -6.481 -7.785 11.646 1.00 0.00 C ATOM 877 OXT ILE O 7 -3.527 -11.681 12.617 1.00 0.00 O ATOM 0 H ILE O 7 -2.713 -8.026 11.337 1.00 0.00 H new ATOM 0 HA ILE O 7 -4.795 -9.566 12.797 1.00 0.00 H new ATOM 0 HB ILE O 7 -4.141 -9.592 9.826 1.00 0.00 H new ATOM 0 HG12 ILE O 7 -4.776 -7.287 10.413 1.00 0.00 H new ATOM 0 HG13 ILE O 7 -6.088 -8.048 9.536 1.00 0.00 H new ATOM 0 HG21 ILE O 7 -6.441 -10.504 9.648 1.00 0.00 H new ATOM 0 HG22 ILE O 7 -5.421 -11.517 10.699 1.00 0.00 H new ATOM 0 HG23 ILE O 7 -6.613 -10.407 11.417 1.00 0.00 H new ATOM 0 HD11 ILE O 7 -6.951 -6.812 11.505 1.00 0.00 H new ATOM 0 HD12 ILE O 7 -7.250 -8.557 11.688 1.00 0.00 H new ATOM 0 HD13 ILE O 7 -5.917 -7.784 12.579 1.00 0.00 H new ATOM 890 N ILE Q 1 -1.411 11.630 8.681 1.00 0.00 N ATOM 891 CA ILE Q 1 -2.125 10.381 9.070 1.00 0.00 C ATOM 892 C ILE Q 1 -1.220 9.182 8.808 1.00 0.00 C ATOM 893 O ILE Q 1 -0.695 9.001 7.695 1.00 0.00 O ATOM 894 CB ILE Q 1 -3.419 10.259 8.253 1.00 0.00 C ATOM 895 CG1 ILE Q 1 -4.327 11.450 8.577 1.00 0.00 C ATOM 896 CG2 ILE Q 1 -4.142 8.959 8.619 1.00 0.00 C ATOM 897 CD1 ILE Q 1 -5.495 11.489 7.592 1.00 0.00 C ATOM 0 H1 ILE Q 1 -1.727 12.414 9.287 1.00 0.00 H new ATOM 0 H2 ILE Q 1 -0.386 11.494 8.796 1.00 0.00 H new ATOM 0 H3 ILE Q 1 -1.621 11.855 7.688 1.00 0.00 H new ATOM 0 HA ILE Q 1 -2.377 10.411 10.130 1.00 0.00 H new ATOM 0 HB ILE Q 1 -3.179 10.250 7.190 1.00 0.00 H new ATOM 0 HG12 ILE Q 1 -4.702 11.367 9.597 1.00 0.00 H new ATOM 0 HG13 ILE Q 1 -3.759 12.379 8.520 1.00 0.00 H new ATOM 0 HG21 ILE Q 1 -5.060 8.877 8.037 1.00 0.00 H new ATOM 0 HG22 ILE Q 1 -3.496 8.109 8.400 1.00 0.00 H new ATOM 0 HG23 ILE Q 1 -4.386 8.965 9.681 1.00 0.00 H new ATOM 0 HD11 ILE Q 1 -6.139 12.337 7.825 1.00 0.00 H new ATOM 0 HD12 ILE Q 1 -5.112 11.592 6.577 1.00 0.00 H new ATOM 0 HD13 ILE Q 1 -6.068 10.565 7.671 1.00 0.00 H new ATOM 911 N HIS Q 2 -1.027 8.353 9.836 1.00 0.00 N ATOM 912 CA HIS Q 2 -0.192 7.159 9.671 1.00 0.00 C ATOM 913 C HIS Q 2 -1.074 5.914 9.781 1.00 0.00 C ATOM 914 O HIS Q 2 -1.713 5.696 10.816 1.00 0.00 O ATOM 915 CB HIS Q 2 0.888 7.126 10.778 1.00 0.00 C ATOM 916 CG HIS Q 2 2.099 7.948 10.383 1.00 0.00 C ATOM 917 ND1 HIS Q 2 3.362 7.386 10.261 1.00 0.00 N ATOM 918 CD2 HIS Q 2 2.268 9.289 10.115 1.00 0.00 C ATOM 919 CE1 HIS Q 2 4.220 8.371 9.935 1.00 0.00 C ATOM 920 NE2 HIS Q 2 3.605 9.550 9.833 1.00 0.00 N ATOM 0 H HIS Q 2 -1.424 8.479 10.767 1.00 0.00 H new ATOM 0 HA HIS Q 2 0.293 7.182 8.695 1.00 0.00 H new ATOM 0 HB2 HIS Q 2 0.471 7.511 11.709 1.00 0.00 H new ATOM 0 HB3 HIS Q 2 1.189 6.095 10.966 1.00 0.00 H new ATOM 0 HD2 HIS Q 2 1.480 10.027 10.123 1.00 0.00 H new ATOM 0 HE1 HIS Q 2 5.278 8.224 9.775 1.00 0.00 H new ATOM 0 HE2 HIS Q 2 4.025 10.450 9.599 1.00 0.00 H new ATOM 928 N VAL Q 3 -1.064 5.064 8.745 1.00 0.00 N ATOM 929 CA VAL Q 3 -1.823 3.807 8.795 1.00 0.00 C ATOM 930 C VAL Q 3 -0.842 2.637 8.720 1.00 0.00 C ATOM 931 O VAL Q 3 -0.037 2.551 7.784 1.00 0.00 O ATOM 932 CB VAL Q 3 -2.874 3.754 7.659 1.00 0.00 C ATOM 933 CG1 VAL Q 3 -3.526 5.139 7.493 1.00 0.00 C ATOM 934 CG2 VAL Q 3 -2.219 3.349 6.343 1.00 0.00 C ATOM 0 H VAL Q 3 -0.549 5.219 7.878 1.00 0.00 H new ATOM 0 HA VAL Q 3 -2.374 3.743 9.733 1.00 0.00 H new ATOM 0 HB VAL Q 3 -3.631 3.015 7.921 1.00 0.00 H new ATOM 0 HG11 VAL Q 3 -4.265 5.100 6.693 1.00 0.00 H new ATOM 0 HG12 VAL Q 3 -4.014 5.425 8.425 1.00 0.00 H new ATOM 0 HG13 VAL Q 3 -2.761 5.874 7.244 1.00 0.00 H new ATOM 0 HG21 VAL Q 3 -2.973 3.317 5.556 1.00 0.00 H new ATOM 0 HG22 VAL Q 3 -1.451 4.076 6.080 1.00 0.00 H new ATOM 0 HG23 VAL Q 3 -1.765 2.364 6.451 1.00 0.00 H new ATOM 944 N HIS Q 4 -0.911 1.731 9.693 1.00 0.00 N ATOM 945 CA HIS Q 4 -0.020 0.563 9.705 1.00 0.00 C ATOM 946 C HIS Q 4 -0.844 -0.720 9.629 1.00 0.00 C ATOM 947 O HIS Q 4 -1.770 -0.903 10.422 1.00 0.00 O ATOM 948 CB HIS Q 4 0.829 0.563 11.005 1.00 0.00 C ATOM 949 CG HIS Q 4 1.600 1.874 11.192 1.00 0.00 C ATOM 950 ND1 HIS Q 4 1.686 2.523 12.432 1.00 0.00 N ATOM 951 CD2 HIS Q 4 2.343 2.653 10.324 1.00 0.00 C ATOM 952 CE1 HIS Q 4 2.444 3.622 12.267 1.00 0.00 C ATOM 953 NE2 HIS Q 4 2.869 3.752 11.007 1.00 0.00 N ATOM 0 H HIS Q 4 -1.564 1.777 10.475 1.00 0.00 H new ATOM 0 HA HIS Q 4 0.644 0.613 8.842 1.00 0.00 H new ATOM 0 HB2 HIS Q 4 0.177 0.401 11.863 1.00 0.00 H new ATOM 0 HB3 HIS Q 4 1.532 -0.269 10.978 1.00 0.00 H new ATOM 0 HD1 HIS Q 4 1.252 2.217 13.303 1.00 0.00 H new ATOM 0 HD2 HIS Q 4 2.494 2.443 9.275 1.00 0.00 H new ATOM 0 HE1 HIS Q 4 2.681 4.317 13.059 1.00 0.00 H new ATOM 960 N LEU Q 5 -0.500 -1.623 8.706 1.00 0.00 N ATOM 961 CA LEU Q 5 -1.221 -2.898 8.590 1.00 0.00 C ATOM 962 C LEU Q 5 -0.240 -4.056 8.484 1.00 0.00 C ATOM 963 O LEU Q 5 0.589 -4.107 7.571 1.00 0.00 O ATOM 964 CB LEU Q 5 -2.157 -2.889 7.375 1.00 0.00 C ATOM 965 CG LEU Q 5 -3.168 -1.718 7.490 1.00 0.00 C ATOM 966 CD1 LEU Q 5 -2.608 -0.448 6.827 1.00 0.00 C ATOM 967 CD2 LEU Q 5 -4.487 -2.097 6.802 1.00 0.00 C ATOM 0 H LEU Q 5 0.260 -1.500 8.037 1.00 0.00 H new ATOM 0 HA LEU Q 5 -1.824 -3.027 9.489 1.00 0.00 H new ATOM 0 HB2 LEU Q 5 -1.575 -2.789 6.459 1.00 0.00 H new ATOM 0 HB3 LEU Q 5 -2.692 -3.837 7.311 1.00 0.00 H new ATOM 0 HG LEU Q 5 -3.342 -1.523 8.548 1.00 0.00 H new ATOM 0 HD11 LEU Q 5 -3.333 0.361 6.919 1.00 0.00 H new ATOM 0 HD12 LEU Q 5 -1.679 -0.160 7.319 1.00 0.00 H new ATOM 0 HD13 LEU Q 5 -2.415 -0.643 5.772 1.00 0.00 H new ATOM 0 HD21 LEU Q 5 -5.192 -1.270 6.887 1.00 0.00 H new ATOM 0 HD22 LEU Q 5 -4.300 -2.309 5.749 1.00 0.00 H new ATOM 0 HD23 LEU Q 5 -4.906 -2.982 7.281 1.00 0.00 H new ATOM 979 N GLN Q 6 -0.356 -4.998 9.418 1.00 0.00 N ATOM 980 CA GLN Q 6 0.505 -6.179 9.431 1.00 0.00 C ATOM 981 C GLN Q 6 -0.367 -7.422 9.331 1.00 0.00 C ATOM 982 O GLN Q 6 -1.172 -7.699 10.221 1.00 0.00 O ATOM 983 CB GLN Q 6 1.328 -6.207 10.726 1.00 0.00 C ATOM 984 CG GLN Q 6 2.276 -7.410 10.722 1.00 0.00 C ATOM 985 CD GLN Q 6 3.022 -7.488 12.049 1.00 0.00 C ATOM 986 OE1 GLN Q 6 2.404 -7.614 13.106 1.00 0.00 O ATOM 987 NE2 GLN Q 6 4.325 -7.422 12.053 1.00 0.00 N ATOM 0 H GLN Q 6 -1.038 -4.966 10.176 1.00 0.00 H new ATOM 0 HA GLN Q 6 1.193 -6.149 8.586 1.00 0.00 H new ATOM 0 HB2 GLN Q 6 1.900 -5.284 10.823 1.00 0.00 H new ATOM 0 HB3 GLN Q 6 0.663 -6.261 11.588 1.00 0.00 H new ATOM 0 HG2 GLN Q 6 1.712 -8.328 10.558 1.00 0.00 H new ATOM 0 HG3 GLN Q 6 2.987 -7.321 9.900 1.00 0.00 H new ATOM 0 HE21 GLN Q 6 4.833 -7.318 11.175 1.00 0.00 H new ATOM 0 HE22 GLN Q 6 4.836 -7.475 12.934 1.00 0.00 H new ATOM 996 N ILE Q 7 -0.217 -8.158 8.234 1.00 0.00 N ATOM 997 CA ILE Q 7 -1.010 -9.366 8.004 1.00 0.00 C ATOM 998 C ILE Q 7 -0.123 -10.606 8.059 1.00 0.00 C ATOM 999 O ILE Q 7 -0.108 -11.254 9.092 1.00 0.00 O ATOM 1000 CB ILE Q 7 -1.679 -9.278 6.629 1.00 0.00 C ATOM 1001 CG1 ILE Q 7 -2.344 -7.901 6.459 1.00 0.00 C ATOM 1002 CG2 ILE Q 7 -2.726 -10.384 6.482 1.00 0.00 C ATOM 1003 CD1 ILE Q 7 -3.359 -7.644 7.582 1.00 0.00 C ATOM 1004 OXT ILE Q 7 0.526 -10.889 7.065 1.00 0.00 O ATOM 0 H ILE Q 7 0.445 -7.941 7.489 1.00 0.00 H new ATOM 0 HA ILE Q 7 -1.769 -9.444 8.783 1.00 0.00 H new ATOM 0 HB ILE Q 7 -0.920 -9.406 5.857 1.00 0.00 H new ATOM 0 HG12 ILE Q 7 -1.583 -7.121 6.465 1.00 0.00 H new ATOM 0 HG13 ILE Q 7 -2.844 -7.850 5.492 1.00 0.00 H new ATOM 0 HG21 ILE Q 7 -3.196 -10.312 5.501 1.00 0.00 H new ATOM 0 HG22 ILE Q 7 -2.245 -11.357 6.584 1.00 0.00 H new ATOM 0 HG23 ILE Q 7 -3.485 -10.272 7.256 1.00 0.00 H new ATOM 0 HD11 ILE Q 7 -3.817 -6.665 7.442 1.00 0.00 H new ATOM 0 HD12 ILE Q 7 -4.131 -8.413 7.557 1.00 0.00 H new ATOM 0 HD13 ILE Q 7 -2.850 -7.672 8.546 1.00 0.00 H new ATOM 1017 N ILE S 1 1.672 11.752 4.826 1.00 0.00 N ATOM 1018 CA ILE S 1 0.920 10.500 5.118 1.00 0.00 C ATOM 1019 C ILE S 1 1.832 9.301 4.893 1.00 0.00 C ATOM 1020 O ILE S 1 2.466 9.169 3.833 1.00 0.00 O ATOM 1021 CB ILE S 1 -0.302 10.410 4.196 1.00 0.00 C ATOM 1022 CG1 ILE S 1 -1.265 11.553 4.522 1.00 0.00 C ATOM 1023 CG2 ILE S 1 -1.015 9.071 4.399 1.00 0.00 C ATOM 1024 CD1 ILE S 1 -2.352 11.620 3.450 1.00 0.00 C ATOM 0 H1 ILE S 1 1.281 12.532 5.392 1.00 0.00 H new ATOM 0 H2 ILE S 1 2.675 11.619 5.066 1.00 0.00 H new ATOM 0 H3 ILE S 1 1.586 11.981 3.815 1.00 0.00 H new ATOM 0 HA ILE S 1 0.583 10.506 6.155 1.00 0.00 H new ATOM 0 HB ILE S 1 0.025 10.486 3.159 1.00 0.00 H new ATOM 0 HG12 ILE S 1 -1.715 11.396 5.503 1.00 0.00 H new ATOM 0 HG13 ILE S 1 -0.724 12.498 4.567 1.00 0.00 H new ATOM 0 HG21 ILE S 1 -1.881 9.017 3.740 1.00 0.00 H new ATOM 0 HG22 ILE S 1 -0.330 8.255 4.166 1.00 0.00 H new ATOM 0 HG23 ILE S 1 -1.342 8.986 5.435 1.00 0.00 H new ATOM 0 HD11 ILE S 1 -3.040 12.434 3.680 1.00 0.00 H new ATOM 0 HD12 ILE S 1 -1.893 11.796 2.477 1.00 0.00 H new ATOM 0 HD13 ILE S 1 -2.899 10.678 3.427 1.00 0.00 H new ATOM 1038 N HIS S 2 1.889 8.415 5.892 1.00 0.00 N ATOM 1039 CA HIS S 2 2.704 7.229 5.775 1.00 0.00 C ATOM 1040 C HIS S 2 1.806 6.007 5.764 1.00 0.00 C ATOM 1041 O HIS S 2 1.079 5.769 6.733 1.00 0.00 O ATOM 1042 CB HIS S 2 3.611 7.177 7.019 1.00 0.00 C ATOM 1043 CG HIS S 2 4.278 5.835 7.153 1.00 0.00 C ATOM 1044 ND1 HIS S 2 4.524 5.218 8.393 1.00 0.00 N ATOM 1045 CD2 HIS S 2 4.806 5.003 6.215 1.00 0.00 C ATOM 1046 CE1 HIS S 2 5.179 4.078 8.150 1.00 0.00 C ATOM 1047 NE2 HIS S 2 5.382 3.889 6.849 1.00 0.00 N ATOM 0 H HIS S 2 1.384 8.505 6.774 1.00 0.00 H new ATOM 0 HA HIS S 2 3.294 7.248 4.859 1.00 0.00 H new ATOM 0 HB2 HIS S 2 4.369 7.957 6.952 1.00 0.00 H new ATOM 0 HB3 HIS S 2 3.020 7.383 7.912 1.00 0.00 H new ATOM 0 HD1 HIS S 2 4.253 5.575 9.309 1.00 0.00 H new ATOM 0 HD2 HIS S 2 4.786 5.172 5.149 1.00 0.00 H new ATOM 0 HE1 HIS S 2 5.504 3.392 8.918 1.00 0.00 H new ATOM 1054 N VAL S 3 1.893 5.195 4.708 1.00 0.00 N ATOM 1055 CA VAL S 3 1.112 3.959 4.657 1.00 0.00 C ATOM 1056 C VAL S 3 2.040 2.763 4.563 1.00 0.00 C ATOM 1057 O VAL S 3 2.826 2.660 3.619 1.00 0.00 O ATOM 1058 CB VAL S 3 0.130 4.000 3.472 1.00 0.00 C ATOM 1059 CG1 VAL S 3 -0.851 5.181 3.629 1.00 0.00 C ATOM 1060 CG2 VAL S 3 0.914 4.178 2.177 1.00 0.00 C ATOM 0 H VAL S 3 2.483 5.366 3.894 1.00 0.00 H new ATOM 0 HA VAL S 3 0.528 3.864 5.573 1.00 0.00 H new ATOM 0 HB VAL S 3 -0.433 3.067 3.448 1.00 0.00 H new ATOM 0 HG11 VAL S 3 -1.539 5.197 2.784 1.00 0.00 H new ATOM 0 HG12 VAL S 3 -1.415 5.065 4.554 1.00 0.00 H new ATOM 0 HG13 VAL S 3 -0.292 6.116 3.660 1.00 0.00 H new ATOM 0 HG21 VAL S 3 0.223 4.208 1.335 1.00 0.00 H new ATOM 0 HG22 VAL S 3 1.477 5.111 2.218 1.00 0.00 H new ATOM 0 HG23 VAL S 3 1.604 3.343 2.051 1.00 0.00 H new ATOM 1070 N HIS S 4 1.938 1.842 5.528 1.00 0.00 N ATOM 1071 CA HIS S 4 2.756 0.655 5.509 1.00 0.00 C ATOM 1072 C HIS S 4 1.916 -0.613 5.437 1.00 0.00 C ATOM 1073 O HIS S 4 0.992 -0.803 6.232 1.00 0.00 O ATOM 1074 CB HIS S 4 3.668 0.666 6.748 1.00 0.00 C ATOM 1075 CG HIS S 4 4.876 -0.195 6.497 1.00 0.00 C ATOM 1076 ND1 HIS S 4 6.199 0.289 6.476 1.00 0.00 N ATOM 1077 CD2 HIS S 4 4.961 -1.524 6.262 1.00 0.00 C ATOM 1078 CE1 HIS S 4 6.999 -0.762 6.235 1.00 0.00 C ATOM 1079 NE2 HIS S 4 6.297 -1.893 6.099 1.00 0.00 N ATOM 0 H HIS S 4 1.298 1.907 6.320 1.00 0.00 H new ATOM 0 HA HIS S 4 3.370 0.658 4.609 1.00 0.00 H new ATOM 0 HB2 HIS S 4 3.978 1.686 6.974 1.00 0.00 H new ATOM 0 HB3 HIS S 4 3.122 0.298 7.617 1.00 0.00 H new ATOM 0 HD2 HIS S 4 4.120 -2.199 6.208 1.00 0.00 H new ATOM 0 HE1 HIS S 4 8.075 -0.702 6.160 1.00 0.00 H new ATOM 0 HE2 HIS S 4 6.661 -2.828 5.915 1.00 0.00 H new ATOM 1087 N LEU S 5 2.270 -1.491 4.498 1.00 0.00 N ATOM 1088 CA LEU S 5 1.579 -2.770 4.327 1.00 0.00 C ATOM 1089 C LEU S 5 2.600 -3.902 4.361 1.00 0.00 C ATOM 1090 O LEU S 5 3.489 -3.966 3.505 1.00 0.00 O ATOM 1091 CB LEU S 5 0.858 -2.794 2.973 1.00 0.00 C ATOM 1092 CG LEU S 5 -0.142 -1.631 2.878 1.00 0.00 C ATOM 1093 CD1 LEU S 5 -0.809 -1.640 1.494 1.00 0.00 C ATOM 1094 CD2 LEU S 5 -1.211 -1.768 3.974 1.00 0.00 C ATOM 0 H LEU S 5 3.035 -1.339 3.841 1.00 0.00 H new ATOM 0 HA LEU S 5 0.853 -2.895 5.130 1.00 0.00 H new ATOM 0 HB2 LEU S 5 1.586 -2.723 2.165 1.00 0.00 H new ATOM 0 HB3 LEU S 5 0.335 -3.742 2.849 1.00 0.00 H new ATOM 0 HG LEU S 5 0.388 -0.689 3.017 1.00 0.00 H new ATOM 0 HD11 LEU S 5 -1.518 -0.815 1.427 1.00 0.00 H new ATOM 0 HD12 LEU S 5 -0.047 -1.528 0.722 1.00 0.00 H new ATOM 0 HD13 LEU S 5 -1.335 -2.584 1.350 1.00 0.00 H new ATOM 0 HD21 LEU S 5 -1.916 -0.940 3.900 1.00 0.00 H new ATOM 0 HD22 LEU S 5 -1.744 -2.711 3.847 1.00 0.00 H new ATOM 0 HD23 LEU S 5 -0.732 -1.751 4.953 1.00 0.00 H new ATOM 1106 N GLN S 6 2.468 -4.805 5.330 1.00 0.00 N ATOM 1107 CA GLN S 6 3.383 -5.945 5.440 1.00 0.00 C ATOM 1108 C GLN S 6 2.580 -7.235 5.379 1.00 0.00 C ATOM 1109 O GLN S 6 1.790 -7.527 6.276 1.00 0.00 O ATOM 1110 CB GLN S 6 4.170 -5.862 6.756 1.00 0.00 C ATOM 1111 CG GLN S 6 5.183 -7.009 6.826 1.00 0.00 C ATOM 1112 CD GLN S 6 5.908 -6.992 8.166 1.00 0.00 C ATOM 1113 OE1 GLN S 6 5.277 -7.057 9.223 1.00 0.00 O ATOM 1114 NE2 GLN S 6 7.213 -6.920 8.183 1.00 0.00 N ATOM 0 H GLN S 6 1.743 -4.773 6.047 1.00 0.00 H new ATOM 0 HA GLN S 6 4.095 -5.927 4.615 1.00 0.00 H new ATOM 0 HB2 GLN S 6 4.686 -4.904 6.822 1.00 0.00 H new ATOM 0 HB3 GLN S 6 3.487 -5.916 7.603 1.00 0.00 H new ATOM 0 HG2 GLN S 6 4.673 -7.963 6.693 1.00 0.00 H new ATOM 0 HG3 GLN S 6 5.904 -6.917 6.013 1.00 0.00 H new ATOM 0 HE21 GLN S 6 7.732 -6.866 7.307 1.00 0.00 H new ATOM 0 HE22 GLN S 6 7.712 -6.918 9.073 1.00 0.00 H new ATOM 1123 N ILE S 7 2.775 -7.999 4.304 1.00 0.00 N ATOM 1124 CA ILE S 7 2.049 -9.257 4.116 1.00 0.00 C ATOM 1125 C ILE S 7 3.004 -10.441 4.219 1.00 0.00 C ATOM 1126 O ILE S 7 4.109 -10.332 3.713 1.00 0.00 O ATOM 1127 CB ILE S 7 1.378 -9.262 2.736 1.00 0.00 C ATOM 1128 CG1 ILE S 7 0.681 -7.912 2.481 1.00 0.00 C ATOM 1129 CG2 ILE S 7 0.348 -10.396 2.656 1.00 0.00 C ATOM 1130 CD1 ILE S 7 -0.363 -7.617 3.568 1.00 0.00 C ATOM 1131 OXT ILE S 7 2.617 -11.440 4.802 1.00 0.00 O ATOM 0 H ILE S 7 3.426 -7.771 3.553 1.00 0.00 H new ATOM 0 HA ILE S 7 1.291 -9.345 4.894 1.00 0.00 H new ATOM 0 HB ILE S 7 2.144 -9.418 1.976 1.00 0.00 H new ATOM 0 HG12 ILE S 7 1.423 -7.114 2.459 1.00 0.00 H new ATOM 0 HG13 ILE S 7 0.199 -7.927 1.503 1.00 0.00 H new ATOM 0 HG21 ILE S 7 -0.123 -10.391 1.673 1.00 0.00 H new ATOM 0 HG22 ILE S 7 0.847 -11.352 2.815 1.00 0.00 H new ATOM 0 HG23 ILE S 7 -0.413 -10.251 3.423 1.00 0.00 H new ATOM 0 HD11 ILE S 7 -0.840 -6.658 3.364 1.00 0.00 H new ATOM 0 HD12 ILE S 7 -1.117 -8.404 3.571 1.00 0.00 H new ATOM 0 HD13 ILE S 7 0.126 -7.579 4.541 1.00 0.00 H new ATOM 1144 N ILE U 1 4.344 11.812 0.576 1.00 0.00 N ATOM 1145 CA ILE U 1 3.635 10.558 0.956 1.00 0.00 C ATOM 1146 C ILE U 1 4.557 9.371 0.724 1.00 0.00 C ATOM 1147 O ILE U 1 5.074 9.176 -0.388 1.00 0.00 O ATOM 1148 CB ILE U 1 2.372 10.408 0.102 1.00 0.00 C ATOM 1149 CG1 ILE U 1 1.453 11.603 0.362 1.00 0.00 C ATOM 1150 CG2 ILE U 1 1.648 9.112 0.476 1.00 0.00 C ATOM 1151 CD1 ILE U 1 0.316 11.601 -0.655 1.00 0.00 C ATOM 0 H1 ILE U 1 3.969 12.605 1.134 1.00 0.00 H new ATOM 0 H2 ILE U 1 5.361 11.706 0.764 1.00 0.00 H new ATOM 0 H3 ILE U 1 4.197 12.001 -0.436 1.00 0.00 H new ATOM 0 HA ILE U 1 3.354 10.598 2.008 1.00 0.00 H new ATOM 0 HB ILE U 1 2.643 10.373 -0.953 1.00 0.00 H new ATOM 0 HG12 ILE U 1 1.050 11.552 1.374 1.00 0.00 H new ATOM 0 HG13 ILE U 1 2.018 12.532 0.290 1.00 0.00 H new ATOM 0 HG21 ILE U 1 0.750 9.008 -0.133 1.00 0.00 H new ATOM 0 HG22 ILE U 1 2.307 8.263 0.298 1.00 0.00 H new ATOM 0 HG23 ILE U 1 1.370 9.141 1.530 1.00 0.00 H new ATOM 0 HD11 ILE U 1 -0.339 12.452 -0.470 1.00 0.00 H new ATOM 0 HD12 ILE U 1 0.728 11.672 -1.662 1.00 0.00 H new ATOM 0 HD13 ILE U 1 -0.255 10.677 -0.561 1.00 0.00 H new ATOM 1165 N HIS U 2 4.768 8.567 1.770 1.00 0.00 N ATOM 1166 CA HIS U 2 5.629 7.387 1.627 1.00 0.00 C ATOM 1167 C HIS U 2 4.779 6.124 1.737 1.00 0.00 C ATOM 1168 O HIS U 2 4.125 5.901 2.760 1.00 0.00 O ATOM 1169 CB HIS U 2 6.699 7.386 2.745 1.00 0.00 C ATOM 1170 CG HIS U 2 7.909 8.205 2.342 1.00 0.00 C ATOM 1171 ND1 HIS U 2 9.175 7.645 2.238 1.00 0.00 N ATOM 1172 CD2 HIS U 2 8.069 9.540 2.045 1.00 0.00 C ATOM 1173 CE1 HIS U 2 10.028 8.628 1.893 1.00 0.00 C ATOM 1174 NE2 HIS U 2 9.405 9.802 1.761 1.00 0.00 N ATOM 0 H HIS U 2 4.369 8.703 2.699 1.00 0.00 H new ATOM 0 HA HIS U 2 6.122 7.413 0.655 1.00 0.00 H new ATOM 0 HB2 HIS U 2 6.271 7.790 3.662 1.00 0.00 H new ATOM 0 HB3 HIS U 2 7.004 6.362 2.960 1.00 0.00 H new ATOM 0 HD2 HIS U 2 7.276 10.273 2.034 1.00 0.00 H new ATOM 0 HE1 HIS U 2 11.088 8.485 1.741 1.00 0.00 H new ATOM 0 HE2 HIS U 2 9.820 10.698 1.507 1.00 0.00 H new ATOM 1182 N VAL U 3 4.833 5.264 0.709 1.00 0.00 N ATOM 1183 CA VAL U 3 4.106 3.992 0.751 1.00 0.00 C ATOM 1184 C VAL U 3 5.109 2.841 0.718 1.00 0.00 C ATOM 1185 O VAL U 3 5.943 2.757 -0.192 1.00 0.00 O ATOM 1186 CB VAL U 3 3.097 3.905 -0.420 1.00 0.00 C ATOM 1187 CG1 VAL U 3 2.420 5.273 -0.627 1.00 0.00 C ATOM 1188 CG2 VAL U 3 3.815 3.509 -1.701 1.00 0.00 C ATOM 0 H VAL U 3 5.364 5.424 -0.147 1.00 0.00 H new ATOM 0 HA VAL U 3 3.532 3.926 1.675 1.00 0.00 H new ATOM 0 HB VAL U 3 2.345 3.154 -0.178 1.00 0.00 H new ATOM 0 HG11 VAL U 3 1.711 5.207 -1.452 1.00 0.00 H new ATOM 0 HG12 VAL U 3 1.892 5.559 0.283 1.00 0.00 H new ATOM 0 HG13 VAL U 3 3.177 6.022 -0.858 1.00 0.00 H new ATOM 0 HG21 VAL U 3 3.096 3.451 -2.518 1.00 0.00 H new ATOM 0 HG22 VAL U 3 4.574 4.255 -1.938 1.00 0.00 H new ATOM 0 HG23 VAL U 3 4.290 2.537 -1.566 1.00 0.00 H new ATOM 1198 N HIS U 4 5.024 1.949 1.702 1.00 0.00 N ATOM 1199 CA HIS U 4 5.931 0.795 1.762 1.00 0.00 C ATOM 1200 C HIS U 4 5.127 -0.500 1.680 1.00 0.00 C ATOM 1201 O HIS U 4 4.179 -0.684 2.445 1.00 0.00 O ATOM 1202 CB HIS U 4 6.736 0.828 3.092 1.00 0.00 C ATOM 1203 CG HIS U 4 7.491 2.149 3.271 1.00 0.00 C ATOM 1204 ND1 HIS U 4 7.541 2.828 4.498 1.00 0.00 N ATOM 1205 CD2 HIS U 4 8.241 2.917 2.403 1.00 0.00 C ATOM 1206 CE1 HIS U 4 8.287 3.933 4.324 1.00 0.00 C ATOM 1207 NE2 HIS U 4 8.737 4.038 3.070 1.00 0.00 N ATOM 0 H HIS U 4 4.346 1.997 2.463 1.00 0.00 H new ATOM 0 HA HIS U 4 6.623 0.841 0.921 1.00 0.00 H new ATOM 0 HB2 HIS U 4 6.056 0.682 3.931 1.00 0.00 H new ATOM 0 HB3 HIS U 4 7.445 -0.000 3.108 1.00 0.00 H new ATOM 0 HD1 HIS U 4 7.092 2.536 5.366 1.00 0.00 H new ATOM 0 HD2 HIS U 4 8.418 2.685 1.363 1.00 0.00 H new ATOM 0 HE1 HIS U 4 8.497 4.650 5.104 1.00 0.00 H new ATOM 1214 N LEU U 5 5.513 -1.412 0.782 1.00 0.00 N ATOM 1215 CA LEU U 5 4.814 -2.698 0.662 1.00 0.00 C ATOM 1216 C LEU U 5 5.814 -3.843 0.610 1.00 0.00 C ATOM 1217 O LEU U 5 6.675 -3.894 -0.273 1.00 0.00 O ATOM 1218 CB LEU U 5 3.927 -2.718 -0.589 1.00 0.00 C ATOM 1219 CG LEU U 5 2.891 -1.566 -0.530 1.00 0.00 C ATOM 1220 CD1 LEU U 5 3.457 -0.289 -1.181 1.00 0.00 C ATOM 1221 CD2 LEU U 5 1.615 -1.984 -1.274 1.00 0.00 C ATOM 0 H LEU U 5 6.293 -1.288 0.136 1.00 0.00 H new ATOM 0 HA LEU U 5 4.180 -2.824 1.540 1.00 0.00 H new ATOM 0 HB2 LEU U 5 4.543 -2.617 -1.482 1.00 0.00 H new ATOM 0 HB3 LEU U 5 3.412 -3.676 -0.663 1.00 0.00 H new ATOM 0 HG LEU U 5 2.665 -1.359 0.516 1.00 0.00 H new ATOM 0 HD11 LEU U 5 2.714 0.506 -1.129 1.00 0.00 H new ATOM 0 HD12 LEU U 5 4.358 0.021 -0.651 1.00 0.00 H new ATOM 0 HD13 LEU U 5 3.701 -0.490 -2.224 1.00 0.00 H new ATOM 0 HD21 LEU U 5 0.887 -1.174 -1.232 1.00 0.00 H new ATOM 0 HD22 LEU U 5 1.855 -2.202 -2.315 1.00 0.00 H new ATOM 0 HD23 LEU U 5 1.195 -2.873 -0.805 1.00 0.00 H new ATOM 1233 N GLN U 6 5.683 -4.774 1.556 1.00 0.00 N ATOM 1234 CA GLN U 6 6.565 -5.939 1.613 1.00 0.00 C ATOM 1235 C GLN U 6 5.724 -7.201 1.499 1.00 0.00 C ATOM 1236 O GLN U 6 4.910 -7.497 2.374 1.00 0.00 O ATOM 1237 CB GLN U 6 7.353 -5.932 2.932 1.00 0.00 C ATOM 1238 CG GLN U 6 8.315 -7.123 2.978 1.00 0.00 C ATOM 1239 CD GLN U 6 9.034 -7.164 4.323 1.00 0.00 C ATOM 1240 OE1 GLN U 6 8.395 -7.264 5.377 1.00 0.00 O ATOM 1241 NE2 GLN U 6 10.339 -7.091 4.348 1.00 0.00 N ATOM 0 H GLN U 6 4.976 -4.744 2.291 1.00 0.00 H new ATOM 0 HA GLN U 6 7.277 -5.907 0.789 1.00 0.00 H new ATOM 0 HB2 GLN U 6 7.911 -5.000 3.026 1.00 0.00 H new ATOM 0 HB3 GLN U 6 6.665 -5.978 3.776 1.00 0.00 H new ATOM 0 HG2 GLN U 6 7.765 -8.051 2.822 1.00 0.00 H new ATOM 0 HG3 GLN U 6 9.042 -7.044 2.170 1.00 0.00 H new ATOM 0 HE21 GLN U 6 10.862 -7.009 3.476 1.00 0.00 H new ATOM 0 HE22 GLN U 6 10.834 -7.116 5.239 1.00 0.00 H new ATOM 1250 N ILE U 7 5.911 -7.933 0.404 1.00 0.00 N ATOM 1251 CA ILE U 7 5.150 -9.159 0.157 1.00 0.00 C ATOM 1252 C ILE U 7 6.061 -10.380 0.243 1.00 0.00 C ATOM 1253 O ILE U 7 6.048 -11.032 1.273 1.00 0.00 O ATOM 1254 CB ILE U 7 4.517 -9.090 -1.237 1.00 0.00 C ATOM 1255 CG1 ILE U 7 3.820 -7.731 -1.424 1.00 0.00 C ATOM 1256 CG2 ILE U 7 3.504 -10.221 -1.408 1.00 0.00 C ATOM 1257 CD1 ILE U 7 2.778 -7.496 -0.322 1.00 0.00 C ATOM 1258 OXT ILE U 7 6.755 -10.644 -0.725 1.00 0.00 O ATOM 0 H ILE U 7 6.582 -7.700 -0.328 1.00 0.00 H new ATOM 0 HA ILE U 7 4.371 -9.250 0.914 1.00 0.00 H new ATOM 0 HB ILE U 7 5.299 -9.199 -1.989 1.00 0.00 H new ATOM 0 HG12 ILE U 7 4.561 -6.932 -1.406 1.00 0.00 H new ATOM 0 HG13 ILE U 7 3.337 -7.696 -2.401 1.00 0.00 H new ATOM 0 HG21 ILE U 7 3.059 -10.164 -2.402 1.00 0.00 H new ATOM 0 HG22 ILE U 7 4.007 -11.181 -1.290 1.00 0.00 H new ATOM 0 HG23 ILE U 7 2.722 -10.126 -0.655 1.00 0.00 H new ATOM 0 HD11 ILE U 7 2.298 -6.529 -0.475 1.00 0.00 H new ATOM 0 HD12 ILE U 7 2.026 -8.284 -0.358 1.00 0.00 H new ATOM 0 HD13 ILE U 7 3.269 -7.508 0.651 1.00 0.00 H new ATOM 1271 N ILE W 1 7.367 11.894 -3.253 1.00 0.00 N ATOM 1272 CA ILE W 1 6.638 10.626 -2.969 1.00 0.00 C ATOM 1273 C ILE W 1 7.584 9.452 -3.150 1.00 0.00 C ATOM 1274 O ILE W 1 8.240 9.322 -4.191 1.00 0.00 O ATOM 1275 CB ILE W 1 5.464 10.478 -3.939 1.00 0.00 C ATOM 1276 CG1 ILE W 1 4.467 11.609 -3.700 1.00 0.00 C ATOM 1277 CG2 ILE W 1 4.769 9.133 -3.715 1.00 0.00 C ATOM 1278 CD1 ILE W 1 3.442 11.610 -4.829 1.00 0.00 C ATOM 0 H1 ILE W 1 6.918 12.676 -2.735 1.00 0.00 H new ATOM 0 H2 ILE W 1 8.357 11.801 -2.949 1.00 0.00 H new ATOM 0 H3 ILE W 1 7.336 12.091 -4.274 1.00 0.00 H new ATOM 0 HA ILE W 1 6.264 10.646 -1.945 1.00 0.00 H new ATOM 0 HB ILE W 1 5.835 10.523 -4.963 1.00 0.00 H new ATOM 0 HG12 ILE W 1 3.970 11.476 -2.739 1.00 0.00 H new ATOM 0 HG13 ILE W 1 4.986 12.567 -3.661 1.00 0.00 H new ATOM 0 HG21 ILE W 1 3.934 9.035 -4.409 1.00 0.00 H new ATOM 0 HG22 ILE W 1 5.479 8.324 -3.885 1.00 0.00 H new ATOM 0 HG23 ILE W 1 4.398 9.081 -2.691 1.00 0.00 H new ATOM 0 HD11 ILE W 1 2.724 12.415 -4.668 1.00 0.00 H new ATOM 0 HD12 ILE W 1 3.950 11.762 -5.781 1.00 0.00 H new ATOM 0 HD13 ILE W 1 2.918 10.654 -4.846 1.00 0.00 H new ATOM 1292 N HIS W 2 7.640 8.578 -2.144 1.00 0.00 N ATOM 1293 CA HIS W 2 8.487 7.412 -2.235 1.00 0.00 C ATOM 1294 C HIS W 2 7.617 6.168 -2.270 1.00 0.00 C ATOM 1295 O HIS W 2 6.870 5.915 -1.325 1.00 0.00 O ATOM 1296 CB HIS W 2 9.361 7.375 -0.964 1.00 0.00 C ATOM 1297 CG HIS W 2 10.073 6.055 -0.849 1.00 0.00 C ATOM 1298 ND1 HIS W 2 10.362 5.434 0.377 1.00 0.00 N ATOM 1299 CD2 HIS W 2 10.587 5.243 -1.811 1.00 0.00 C ATOM 1300 CE1 HIS W 2 11.027 4.301 0.102 1.00 0.00 C ATOM 1301 NE2 HIS W 2 11.194 4.133 -1.214 1.00 0.00 N ATOM 0 H HIS W 2 7.114 8.662 -1.274 1.00 0.00 H new ATOM 0 HA HIS W 2 9.104 7.449 -3.133 1.00 0.00 H new ATOM 0 HB2 HIS W 2 10.089 8.186 -0.993 1.00 0.00 H new ATOM 0 HB3 HIS W 2 8.739 7.537 -0.084 1.00 0.00 H new ATOM 0 HD1 HIS W 2 10.113 5.780 1.304 1.00 0.00 H new ATOM 0 HD2 HIS W 2 10.535 5.427 -2.874 1.00 0.00 H new ATOM 0 HE1 HIS W 2 11.383 3.610 0.852 1.00 0.00 H new ATOM 0 HE2 HIS W 2 11.664 3.359 -1.683 1.00 0.00 H new ATOM 1308 N VAL W 3 7.755 5.353 -3.323 1.00 0.00 N ATOM 1309 CA VAL W 3 7.006 4.098 -3.393 1.00 0.00 C ATOM 1310 C VAL W 3 7.963 2.925 -3.449 1.00 0.00 C ATOM 1311 O VAL W 3 8.779 2.828 -4.368 1.00 0.00 O ATOM 1312 CB VAL W 3 6.047 4.103 -4.602 1.00 0.00 C ATOM 1313 CG1 VAL W 3 5.047 5.273 -4.490 1.00 0.00 C ATOM 1314 CG2 VAL W 3 6.850 4.267 -5.888 1.00 0.00 C ATOM 0 H VAL W 3 8.364 5.536 -4.120 1.00 0.00 H new ATOM 0 HA VAL W 3 6.398 3.997 -2.494 1.00 0.00 H new ATOM 0 HB VAL W 3 5.500 3.160 -4.616 1.00 0.00 H new ATOM 0 HG11 VAL W 3 4.377 5.263 -5.350 1.00 0.00 H new ATOM 0 HG12 VAL W 3 4.464 5.167 -3.575 1.00 0.00 H new ATOM 0 HG13 VAL W 3 5.592 6.217 -4.466 1.00 0.00 H new ATOM 0 HG21 VAL W 3 6.173 4.271 -6.742 1.00 0.00 H new ATOM 0 HG22 VAL W 3 7.399 5.208 -5.857 1.00 0.00 H new ATOM 0 HG23 VAL W 3 7.553 3.440 -5.986 1.00 0.00 H new ATOM 1324 N HIS W 4 7.853 2.013 -2.471 1.00 0.00 N ATOM 1325 CA HIS W 4 8.698 0.842 -2.443 1.00 0.00 C ATOM 1326 C HIS W 4 7.883 -0.445 -2.522 1.00 0.00 C ATOM 1327 O HIS W 4 6.944 -0.645 -1.747 1.00 0.00 O ATOM 1328 CB HIS W 4 9.563 0.888 -1.168 1.00 0.00 C ATOM 1329 CG HIS W 4 10.792 0.041 -1.356 1.00 0.00 C ATOM 1330 ND1 HIS W 4 12.105 0.535 -1.268 1.00 0.00 N ATOM 1331 CD2 HIS W 4 10.909 -1.279 -1.638 1.00 0.00 C ATOM 1332 CE1 HIS W 4 12.933 -0.497 -1.499 1.00 0.00 C ATOM 1333 NE2 HIS W 4 12.257 -1.628 -1.727 1.00 0.00 N ATOM 0 H HIS W 4 7.188 2.076 -1.701 1.00 0.00 H new ATOM 0 HA HIS W 4 9.345 0.846 -3.320 1.00 0.00 H new ATOM 0 HB2 HIS W 4 9.849 1.917 -0.948 1.00 0.00 H new ATOM 0 HB3 HIS W 4 8.989 0.528 -0.315 1.00 0.00 H new ATOM 0 HD2 HIS W 4 10.082 -1.960 -1.774 1.00 0.00 H new ATOM 0 HE1 HIS W 4 14.010 -0.423 -1.500 1.00 0.00 H new ATOM 0 HE2 HIS W 4 12.645 -2.551 -1.924 1.00 0.00 H new ATOM 1341 N LEU W 5 8.282 -1.331 -3.435 1.00 0.00 N ATOM 1342 CA LEU W 5 7.623 -2.627 -3.606 1.00 0.00 C ATOM 1343 C LEU W 5 8.667 -3.733 -3.508 1.00 0.00 C ATOM 1344 O LEU W 5 9.602 -3.774 -4.309 1.00 0.00 O ATOM 1345 CB LEU W 5 6.961 -2.697 -4.986 1.00 0.00 C ATOM 1346 CG LEU W 5 5.948 -1.555 -5.153 1.00 0.00 C ATOM 1347 CD1 LEU W 5 5.335 -1.619 -6.561 1.00 0.00 C ATOM 1348 CD2 LEU W 5 4.842 -1.679 -4.093 1.00 0.00 C ATOM 0 H LEU W 5 9.063 -1.174 -4.071 1.00 0.00 H new ATOM 0 HA LEU W 5 6.866 -2.750 -2.831 1.00 0.00 H new ATOM 0 HB2 LEU W 5 7.721 -2.634 -5.765 1.00 0.00 H new ATOM 0 HB3 LEU W 5 6.459 -3.657 -5.107 1.00 0.00 H new ATOM 0 HG LEU W 5 6.455 -0.599 -5.023 1.00 0.00 H new ATOM 0 HD11 LEU W 5 4.616 -0.809 -6.682 1.00 0.00 H new ATOM 0 HD12 LEU W 5 6.124 -1.518 -7.306 1.00 0.00 H new ATOM 0 HD13 LEU W 5 4.830 -2.576 -6.695 1.00 0.00 H new ATOM 0 HD21 LEU W 5 4.127 -0.866 -4.217 1.00 0.00 H new ATOM 0 HD22 LEU W 5 4.330 -2.634 -4.211 1.00 0.00 H new ATOM 0 HD23 LEU W 5 5.284 -1.625 -3.098 1.00 0.00 H new ATOM 1360 N GLN W 6 8.504 -4.636 -2.543 1.00 0.00 N ATOM 1361 CA GLN W 6 9.444 -5.748 -2.381 1.00 0.00 C ATOM 1362 C GLN W 6 8.683 -7.062 -2.464 1.00 0.00 C ATOM 1363 O GLN W 6 7.869 -7.375 -1.595 1.00 0.00 O ATOM 1364 CB GLN W 6 10.170 -5.630 -1.034 1.00 0.00 C ATOM 1365 CG GLN W 6 11.233 -6.725 -0.929 1.00 0.00 C ATOM 1366 CD GLN W 6 11.913 -6.681 0.436 1.00 0.00 C ATOM 1367 OE1 GLN W 6 11.246 -6.664 1.474 1.00 0.00 O ATOM 1368 NE2 GLN W 6 13.217 -6.655 0.494 1.00 0.00 N ATOM 0 H GLN W 6 7.740 -4.623 -1.868 1.00 0.00 H new ATOM 0 HA GLN W 6 10.190 -5.717 -3.175 1.00 0.00 H new ATOM 0 HB2 GLN W 6 10.634 -4.648 -0.944 1.00 0.00 H new ATOM 0 HB3 GLN W 6 9.456 -5.721 -0.215 1.00 0.00 H new ATOM 0 HG2 GLN W 6 10.774 -7.702 -1.082 1.00 0.00 H new ATOM 0 HG3 GLN W 6 11.976 -6.596 -1.716 1.00 0.00 H new ATOM 0 HE21 GLN W 6 13.766 -6.669 -0.365 1.00 0.00 H new ATOM 0 HE22 GLN W 6 13.687 -6.621 1.399 1.00 0.00 H new ATOM 1377 N ILE W 7 8.942 -7.825 -3.527 1.00 0.00 N ATOM 1378 CA ILE W 7 8.262 -9.104 -3.737 1.00 0.00 C ATOM 1379 C ILE W 7 9.247 -10.260 -3.592 1.00 0.00 C ATOM 1380 O ILE W 7 10.378 -10.107 -4.023 1.00 0.00 O ATOM 1381 CB ILE W 7 7.640 -9.134 -5.141 1.00 0.00 C ATOM 1382 CG1 ILE W 7 6.922 -7.803 -5.429 1.00 0.00 C ATOM 1383 CG2 ILE W 7 6.643 -10.292 -5.254 1.00 0.00 C ATOM 1384 CD1 ILE W 7 5.830 -7.530 -4.383 1.00 0.00 C ATOM 1385 OXT ILE W 7 8.858 -11.280 -3.047 1.00 0.00 O ATOM 0 H ILE W 7 9.615 -7.581 -4.253 1.00 0.00 H new ATOM 0 HA ILE W 7 7.479 -9.211 -2.987 1.00 0.00 H new ATOM 0 HB ILE W 7 8.436 -9.278 -5.871 1.00 0.00 H new ATOM 0 HG12 ILE W 7 7.645 -6.987 -5.427 1.00 0.00 H new ATOM 0 HG13 ILE W 7 6.478 -7.833 -6.424 1.00 0.00 H new ATOM 0 HG21 ILE W 7 6.209 -10.302 -6.254 1.00 0.00 H new ATOM 0 HG22 ILE W 7 7.159 -11.235 -5.072 1.00 0.00 H new ATOM 0 HG23 ILE W 7 5.851 -10.164 -4.516 1.00 0.00 H new ATOM 0 HD11 ILE W 7 5.338 -6.584 -4.609 1.00 0.00 H new ATOM 0 HD12 ILE W 7 5.096 -8.335 -4.405 1.00 0.00 H new ATOM 0 HD13 ILE W 7 6.281 -7.477 -3.392 1.00 0.00 H new ATOM 1398 N ILE Y 1 10.079 11.957 -7.263 1.00 0.00 N ATOM 1399 CA ILE Y 1 9.369 10.681 -6.963 1.00 0.00 C ATOM 1400 C ILE Y 1 10.334 9.525 -7.150 1.00 0.00 C ATOM 1401 O ILE Y 1 10.885 9.346 -8.237 1.00 0.00 O ATOM 1402 CB ILE Y 1 8.184 10.516 -7.921 1.00 0.00 C ATOM 1403 CG1 ILE Y 1 7.234 11.700 -7.732 1.00 0.00 C ATOM 1404 CG2 ILE Y 1 7.451 9.211 -7.609 1.00 0.00 C ATOM 1405 CD1 ILE Y 1 6.175 11.683 -8.830 1.00 0.00 C ATOM 0 H1 ILE Y 1 9.802 12.680 -6.569 1.00 0.00 H new ATOM 0 H2 ILE Y 1 11.106 11.803 -7.212 1.00 0.00 H new ATOM 0 H3 ILE Y 1 9.825 12.279 -8.218 1.00 0.00 H new ATOM 0 HA ILE Y 1 9.002 10.696 -5.937 1.00 0.00 H new ATOM 0 HB ILE Y 1 8.538 10.486 -8.951 1.00 0.00 H new ATOM 0 HG12 ILE Y 1 6.759 11.646 -6.753 1.00 0.00 H new ATOM 0 HG13 ILE Y 1 7.792 12.636 -7.764 1.00 0.00 H new ATOM 0 HG21 ILE Y 1 6.609 9.095 -8.291 1.00 0.00 H new ATOM 0 HG22 ILE Y 1 8.135 8.371 -7.731 1.00 0.00 H new ATOM 0 HG23 ILE Y 1 7.086 9.235 -6.582 1.00 0.00 H new ATOM 0 HD11 ILE Y 1 5.498 12.527 -8.696 1.00 0.00 H new ATOM 0 HD12 ILE Y 1 6.659 11.758 -9.804 1.00 0.00 H new ATOM 0 HD13 ILE Y 1 5.610 10.752 -8.776 1.00 0.00 H new ATOM 1419 N HIS Y 2 10.535 8.728 -6.100 1.00 0.00 N ATOM 1420 CA HIS Y 2 11.440 7.577 -6.204 1.00 0.00 C ATOM 1421 C HIS Y 2 10.624 6.296 -6.172 1.00 0.00 C ATOM 1422 O HIS Y 2 9.888 6.050 -5.215 1.00 0.00 O ATOM 1423 CB HIS Y 2 12.419 7.580 -5.006 1.00 0.00 C ATOM 1424 CG HIS Y 2 13.646 8.403 -5.315 1.00 0.00 C ATOM 1425 ND1 HIS Y 2 14.917 7.846 -5.331 1.00 0.00 N ATOM 1426 CD2 HIS Y 2 13.816 9.736 -5.598 1.00 0.00 C ATOM 1427 CE1 HIS Y 2 15.786 8.835 -5.614 1.00 0.00 C ATOM 1428 NE2 HIS Y 2 15.168 10.006 -5.787 1.00 0.00 N ATOM 0 H HIS Y 2 10.096 8.851 -5.187 1.00 0.00 H new ATOM 0 HA HIS Y 2 12.001 7.639 -7.137 1.00 0.00 H new ATOM 0 HB2 HIS Y 2 11.920 7.981 -4.124 1.00 0.00 H new ATOM 0 HB3 HIS Y 2 12.712 6.557 -4.768 1.00 0.00 H new ATOM 0 HD2 HIS Y 2 13.021 10.464 -5.664 1.00 0.00 H new ATOM 0 HE1 HIS Y 2 16.854 8.698 -5.692 1.00 0.00 H new ATOM 0 HE2 HIS Y 2 15.595 10.905 -6.010 1.00 0.00 H new ATOM 1436 N VAL Y 3 10.785 5.454 -7.199 1.00 0.00 N ATOM 1437 CA VAL Y 3 10.082 4.173 -7.238 1.00 0.00 C ATOM 1438 C VAL Y 3 11.085 3.031 -7.178 1.00 0.00 C ATOM 1439 O VAL Y 3 12.000 2.957 -7.999 1.00 0.00 O ATOM 1440 CB VAL Y 3 9.207 4.087 -8.503 1.00 0.00 C ATOM 1441 CG1 VAL Y 3 8.492 5.428 -8.739 1.00 0.00 C ATOM 1442 CG2 VAL Y 3 10.074 3.751 -9.724 1.00 0.00 C ATOM 0 H VAL Y 3 11.387 5.635 -8.002 1.00 0.00 H new ATOM 0 HA VAL Y 3 9.425 4.093 -6.372 1.00 0.00 H new ATOM 0 HB VAL Y 3 8.466 3.300 -8.361 1.00 0.00 H new ATOM 0 HG11 VAL Y 3 7.875 5.359 -9.635 1.00 0.00 H new ATOM 0 HG12 VAL Y 3 7.861 5.660 -7.881 1.00 0.00 H new ATOM 0 HG13 VAL Y 3 9.232 6.217 -8.868 1.00 0.00 H new ATOM 0 HG21 VAL Y 3 9.445 3.693 -10.612 1.00 0.00 H new ATOM 0 HG22 VAL Y 3 10.825 4.529 -9.862 1.00 0.00 H new ATOM 0 HG23 VAL Y 3 10.569 2.793 -9.566 1.00 0.00 H new ATOM 1452 N HIS Y 4 10.903 2.132 -6.210 1.00 0.00 N ATOM 1453 CA HIS Y 4 11.798 0.977 -6.058 1.00 0.00 C ATOM 1454 C HIS Y 4 11.013 -0.326 -6.215 1.00 0.00 C ATOM 1455 O HIS Y 4 9.994 -0.518 -5.553 1.00 0.00 O ATOM 1456 CB HIS Y 4 12.473 1.015 -4.659 1.00 0.00 C ATOM 1457 CG HIS Y 4 13.212 2.334 -4.415 1.00 0.00 C ATOM 1458 ND1 HIS Y 4 13.153 3.015 -3.189 1.00 0.00 N ATOM 1459 CD2 HIS Y 4 14.041 3.097 -5.215 1.00 0.00 C ATOM 1460 CE1 HIS Y 4 13.917 4.118 -3.301 1.00 0.00 C ATOM 1461 NE2 HIS Y 4 14.480 4.217 -4.510 1.00 0.00 N ATOM 0 H HIS Y 4 10.151 2.177 -5.523 1.00 0.00 H new ATOM 0 HA HIS Y 4 12.565 1.023 -6.831 1.00 0.00 H new ATOM 0 HB2 HIS Y 4 11.716 0.875 -3.887 1.00 0.00 H new ATOM 0 HB3 HIS Y 4 13.174 0.185 -4.572 1.00 0.00 H new ATOM 0 HD2 HIS Y 4 14.309 2.861 -6.234 1.00 0.00 H new ATOM 0 HE1 HIS Y 4 14.058 4.838 -2.508 1.00 0.00 H new ATOM 0 HE2 HIS Y 4 15.099 4.955 -4.845 1.00 0.00 H new ATOM 1468 N LEU Y 5 11.499 -1.236 -7.063 1.00 0.00 N ATOM 1469 CA LEU Y 5 10.834 -2.533 -7.256 1.00 0.00 C ATOM 1470 C LEU Y 5 11.858 -3.658 -7.227 1.00 0.00 C ATOM 1471 O LEU Y 5 12.795 -3.674 -8.025 1.00 0.00 O ATOM 1472 CB LEU Y 5 10.078 -2.555 -8.591 1.00 0.00 C ATOM 1473 CG LEU Y 5 9.024 -1.418 -8.631 1.00 0.00 C ATOM 1474 CD1 LEU Y 5 9.630 -0.143 -9.245 1.00 0.00 C ATOM 1475 CD2 LEU Y 5 7.815 -1.858 -9.471 1.00 0.00 C ATOM 0 H LEU Y 5 12.341 -1.104 -7.623 1.00 0.00 H new ATOM 0 HA LEU Y 5 10.121 -2.678 -6.445 1.00 0.00 H new ATOM 0 HB2 LEU Y 5 10.780 -2.438 -9.416 1.00 0.00 H new ATOM 0 HB3 LEU Y 5 9.588 -3.520 -8.723 1.00 0.00 H new ATOM 0 HG LEU Y 5 8.706 -1.206 -7.610 1.00 0.00 H new ATOM 0 HD11 LEU Y 5 8.877 0.645 -9.265 1.00 0.00 H new ATOM 0 HD12 LEU Y 5 10.479 0.182 -8.644 1.00 0.00 H new ATOM 0 HD13 LEU Y 5 9.964 -0.352 -10.261 1.00 0.00 H new ATOM 0 HD21 LEU Y 5 7.078 -1.056 -9.496 1.00 0.00 H new ATOM 0 HD22 LEU Y 5 8.140 -2.083 -10.487 1.00 0.00 H new ATOM 0 HD23 LEU Y 5 7.368 -2.748 -9.027 1.00 0.00 H new ATOM 1487 N GLN Y 6 11.664 -4.610 -6.315 1.00 0.00 N ATOM 1488 CA GLN Y 6 12.567 -5.757 -6.202 1.00 0.00 C ATOM 1489 C GLN Y 6 11.764 -7.034 -6.401 1.00 0.00 C ATOM 1490 O GLN Y 6 10.905 -7.373 -5.587 1.00 0.00 O ATOM 1491 CB GLN Y 6 13.248 -5.755 -4.823 1.00 0.00 C ATOM 1492 CG GLN Y 6 14.240 -6.920 -4.721 1.00 0.00 C ATOM 1493 CD GLN Y 6 14.850 -6.973 -3.322 1.00 0.00 C ATOM 1494 OE1 GLN Y 6 14.134 -7.107 -2.331 1.00 0.00 O ATOM 1495 NE2 GLN Y 6 16.146 -6.885 -3.183 1.00 0.00 N ATOM 0 H GLN Y 6 10.894 -4.611 -5.646 1.00 0.00 H new ATOM 0 HA GLN Y 6 13.344 -5.697 -6.964 1.00 0.00 H new ATOM 0 HB2 GLN Y 6 13.768 -4.810 -4.668 1.00 0.00 H new ATOM 0 HB3 GLN Y 6 12.496 -5.838 -4.038 1.00 0.00 H new ATOM 0 HG2 GLN Y 6 13.732 -7.859 -4.940 1.00 0.00 H new ATOM 0 HG3 GLN Y 6 15.028 -6.802 -5.465 1.00 0.00 H new ATOM 0 HE21 GLN Y 6 16.741 -6.774 -4.004 1.00 0.00 H new ATOM 0 HE22 GLN Y 6 16.563 -6.927 -2.253 1.00 0.00 H new ATOM 1504 N ILE Y 7 12.036 -7.729 -7.502 1.00 0.00 N ATOM 1505 CA ILE Y 7 11.321 -8.964 -7.830 1.00 0.00 C ATOM 1506 C ILE Y 7 12.247 -10.169 -7.690 1.00 0.00 C ATOM 1507 O ILE Y 7 12.148 -10.854 -6.686 1.00 0.00 O ATOM 1508 CB ILE Y 7 10.805 -8.879 -9.271 1.00 0.00 C ATOM 1509 CG1 ILE Y 7 10.102 -7.530 -9.488 1.00 0.00 C ATOM 1510 CG2 ILE Y 7 9.831 -10.026 -9.548 1.00 0.00 C ATOM 1511 CD1 ILE Y 7 8.976 -7.334 -8.464 1.00 0.00 C ATOM 1512 OXT ILE Y 7 13.042 -10.387 -8.590 1.00 0.00 O ATOM 0 H ILE Y 7 12.746 -7.460 -8.183 1.00 0.00 H new ATOM 0 HA ILE Y 7 10.485 -9.085 -7.142 1.00 0.00 H new ATOM 0 HB ILE Y 7 11.647 -8.960 -9.958 1.00 0.00 H new ATOM 0 HG12 ILE Y 7 10.825 -6.719 -9.400 1.00 0.00 H new ATOM 0 HG13 ILE Y 7 9.694 -7.485 -10.498 1.00 0.00 H new ATOM 0 HG21 ILE Y 7 9.470 -9.957 -10.574 1.00 0.00 H new ATOM 0 HG22 ILE Y 7 10.341 -10.979 -9.406 1.00 0.00 H new ATOM 0 HG23 ILE Y 7 8.987 -9.961 -8.861 1.00 0.00 H new ATOM 0 HD11 ILE Y 7 8.491 -6.373 -8.635 1.00 0.00 H new ATOM 0 HD12 ILE Y 7 8.243 -8.134 -8.571 1.00 0.00 H new ATOM 0 HD13 ILE Y 7 9.392 -7.356 -7.457 1.00 0.00 H new