USER MOD reduce.3.24.130724 H: found=0, std=0, add=816, rem=0, adj=21 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= -0.543 X(o=-1.6,f=-1.5) USER MOD Set 1.2: O 4 HIS : no HD1:sc= -0.0984 X(o=-1.6,f=-1.4) USER MOD Set 1.3: Q 2 HIS : no HD1:sc= 0.0152 X(o=-1.6,f=-1.5) USER MOD Set 1.4: Q 4 HIS : no HE2:sc= 0.00804 X(o=-1.6,f=-1.5) USER MOD Set 1.5: S 2 HIS : no HE2:sc= -0.549 X(o=-1.6,f=-1.8) USER MOD Set 1.6: S 4 HIS : no HD1:sc= -0.0882 X(o=-1.6,f=-1.3) USER MOD Set 1.7: U 2 HIS : no HD1:sc= 0 X(o=-1.6,f=-1.5) USER MOD Set 1.8: U 4 HIS : no HE2:sc= 0.0143 X(o=-1.6,f=-1.6) USER MOD Set 1.9: W 2 HIS : no HD1:sc= -0.394 K(o=-1.6,f=-3.9) USER MOD Set 1.10: W 4 HIS : no HD1:sc= -0.219 X(o=-1.6,f=-1.3) USER MOD Set 1.11: Y 2 HIS : no HD1:sc= 0 X(o=-1.6,f=-1.3) USER MOD Set 1.12: Y 4 HIS : no HD1:sc= 0.26 K(o=-1.6,f=-2.7) USER MOD Set 2.1: O 6 GLN : amide:sc= 0.569 K(o=2.6,f=1.5) USER MOD Set 2.2: Q 6 GLN : amide:sc= 0.598 K(o=2.6,f=-2.8!) USER MOD Set 2.3: S 6 GLN : amide:sc= 0.833 K(o=2.6,f=-5.6!) USER MOD Set 2.4: U 6 GLN : amide:sc= 0.325 K(o=2.6,f=-7.7!) USER MOD Set 2.5: W 6 GLN : amide:sc= 0.789 K(o=2.6,f=-7.1!) USER MOD Set 2.6: Y 6 GLN : amide:sc= -0.47 K(o=2.6,f=-7.7!) USER MOD Set 3.1: A 6 GLN : amide:sc= 0.765 K(o=2.8,f=1.4) USER MOD Set 3.2: C 6 GLN : amide:sc= 0.58 K(o=2.8,f=-3.4!) USER MOD Set 3.3: E 6 GLN : amide:sc= 0.86 K(o=2.8,f=-5.5!) USER MOD Set 3.4: G 6 GLN : amide:sc= 0.234 K(o=2.8,f=-6.9!) USER MOD Set 3.5: I 6 GLN : amide:sc= 0.749 K(o=2.8,f=-5.4!) USER MOD Set 3.6: K 6 GLN : amide:sc= -0.359 K(o=2.8,f=-6.8!) USER MOD Set 4.1: A 2 HIS : no HE2:sc= -0.584 X(o=-1.3,f=-1.2) USER MOD Set 4.2: A 4 HIS : no HD1:sc= -0.0496 X(o=-1.3,f=-1.2) USER MOD Set 4.3: C 2 HIS : no HD1:sc= -0.158 K(o=-1.3,f=-2.2) USER MOD Set 4.4: C 4 HIS : no HE2:sc= 0.0243 X(o=-1.3,f=-1.4) USER MOD Set 4.5: E 2 HIS : no HE2:sc= -0.077 K(o=-1.3,f=-3.5) USER MOD Set 4.6: E 4 HIS : no HD1:sc= -0.108 X(o=-1.3,f=-0.92) USER MOD Set 4.7: G 2 HIS : no HD1:sc= 0.153 K(o=-1.3,f=-1.9) USER MOD Set 4.8: G 4 HIS : no HD1:sc= 0 X(o=-1.3,f=-1.1) USER MOD Set 4.9: I 2 HIS : no HE2:sc= -0.307 K(o=-1.3,f=-3.6) USER MOD Set 4.10: I 4 HIS : no HD1:sc= -0.165 X(o=-1.3,f=-0.92) USER MOD Set 4.11: K 2 HIS : no HD1:sc= 0 X(o=-1.3,f=-0.95) USER MOD Set 4.12: K 4 HIS : no HE2:sc= 0.00152 X(o=-1.3,f=-1.2) USER MOD Single : A 1 ILE N :NH3+ -153:sc= -0.291 (180deg=-1.3!) USER MOD Single : C 1 ILE N :NH3+ 155:sc= -0.234 (180deg=-0.954) USER MOD Single : E 1 ILE N :NH3+ -154:sc= -0.307 (180deg=-1.19!) USER MOD Single : G 1 ILE N :NH3+ 156:sc= -0.293 (180deg=-1.03) USER MOD Single : I 1 ILE N :NH3+ -148:sc= -0.277 (180deg=-1.21!) USER MOD Single : K 1 ILE N :NH3+ 160:sc= -0.183 (180deg=-0.923) USER MOD Single : O 1 ILE N :NH3+ -149:sc= -0.211 (180deg=-1.21!) USER MOD Single : Q 1 ILE N :NH3+ 160:sc= -0.263 (180deg=-0.978) USER MOD Single : S 1 ILE N :NH3+ -154:sc= -0.301 (180deg=-1.24!) USER MOD Single : U 1 ILE N :NH3+ 157:sc= -0.257 (180deg=-0.911) USER MOD Single : W 1 ILE N :NH3+ -146:sc= -0.284 (180deg=-1.3!) USER MOD Single : Y 1 ILE N :NH3+ 160:sc= -0.147 (180deg=-0.728) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 -11.379 -11.598 7.429 1.00 0.00 N ATOM 2 CA ILE A 1 -11.397 -10.328 8.211 1.00 0.00 C ATOM 3 C ILE A 1 -11.439 -9.146 7.238 1.00 0.00 C ATOM 4 O ILE A 1 -10.561 -8.999 6.383 1.00 0.00 O ATOM 5 CB ILE A 1 -10.124 -10.246 9.072 1.00 0.00 C ATOM 6 CG1 ILE A 1 -10.049 -11.474 9.986 1.00 0.00 C ATOM 7 CG2 ILE A 1 -10.163 -8.974 9.926 1.00 0.00 C ATOM 8 CD1 ILE A 1 -8.663 -11.539 10.632 1.00 0.00 C ATOM 0 H1 ILE A 1 -11.798 -12.362 7.997 1.00 0.00 H new ATOM 0 H2 ILE A 1 -11.929 -11.475 6.555 1.00 0.00 H new ATOM 0 H3 ILE A 1 -10.397 -11.844 7.189 1.00 0.00 H new ATOM 0 HA ILE A 1 -12.273 -10.299 8.859 1.00 0.00 H new ATOM 0 HB ILE A 1 -9.248 -10.219 8.424 1.00 0.00 H new ATOM 0 HG12 ILE A 1 -10.819 -11.417 10.755 1.00 0.00 H new ATOM 0 HG13 ILE A 1 -10.238 -12.381 9.412 1.00 0.00 H new ATOM 0 HG21 ILE A 1 -9.261 -8.917 10.535 1.00 0.00 H new ATOM 0 HG22 ILE A 1 -10.217 -8.101 9.276 1.00 0.00 H new ATOM 0 HG23 ILE A 1 -11.038 -8.998 10.575 1.00 0.00 H new ATOM 0 HD11 ILE A 1 -8.606 -12.411 11.283 1.00 0.00 H new ATOM 0 HD12 ILE A 1 -7.903 -11.616 9.855 1.00 0.00 H new ATOM 0 HD13 ILE A 1 -8.492 -10.636 11.219 1.00 0.00 H new ATOM 22 N HIS A 2 -12.453 -8.287 7.363 1.00 0.00 N ATOM 23 CA HIS A 2 -12.554 -7.139 6.498 1.00 0.00 C ATOM 24 C HIS A 2 -12.350 -5.879 7.326 1.00 0.00 C ATOM 25 O HIS A 2 -13.093 -5.626 8.276 1.00 0.00 O ATOM 26 CB HIS A 2 -13.975 -7.156 5.894 1.00 0.00 C ATOM 27 CG HIS A 2 -14.326 -5.825 5.292 1.00 0.00 C ATOM 28 ND1 HIS A 2 -15.632 -5.319 5.283 1.00 0.00 N ATOM 29 CD2 HIS A 2 -13.561 -4.898 4.652 1.00 0.00 C ATOM 30 CE1 HIS A 2 -15.602 -4.137 4.652 1.00 0.00 C ATOM 31 NE2 HIS A 2 -14.372 -3.823 4.242 1.00 0.00 N ATOM 0 H HIS A 2 -13.201 -8.374 8.050 1.00 0.00 H new ATOM 0 HA HIS A 2 -11.803 -7.160 5.708 1.00 0.00 H new ATOM 0 HB2 HIS A 2 -14.039 -7.931 5.131 1.00 0.00 H new ATOM 0 HB3 HIS A 2 -14.699 -7.410 6.668 1.00 0.00 H new ATOM 0 HD1 HIS A 2 -16.456 -5.768 5.684 1.00 0.00 H new ATOM 0 HD2 HIS A 2 -12.497 -4.976 4.485 1.00 0.00 H new ATOM 0 HE1 HIS A 2 -16.470 -3.513 4.494 1.00 0.00 H new ATOM 38 N VAL A 3 -11.358 -5.073 6.945 1.00 0.00 N ATOM 39 CA VAL A 3 -11.088 -3.817 7.644 1.00 0.00 C ATOM 40 C VAL A 3 -11.260 -2.642 6.691 1.00 0.00 C ATOM 41 O VAL A 3 -10.583 -2.568 5.659 1.00 0.00 O ATOM 42 CB VAL A 3 -9.665 -3.839 8.213 1.00 0.00 C ATOM 43 CG1 VAL A 3 -9.521 -4.993 9.217 1.00 0.00 C ATOM 44 CG2 VAL A 3 -8.674 -4.030 7.065 1.00 0.00 C ATOM 0 H VAL A 3 -10.733 -5.266 6.162 1.00 0.00 H new ATOM 0 HA VAL A 3 -11.795 -3.703 8.465 1.00 0.00 H new ATOM 0 HB VAL A 3 -9.462 -2.898 8.725 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -8.507 -5.003 9.617 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -10.232 -4.857 10.032 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -9.722 -5.939 8.715 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -7.658 -4.047 7.460 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -8.882 -4.972 6.558 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -8.774 -3.207 6.357 1.00 0.00 H new ATOM 54 N HIS A 4 -12.137 -1.707 7.044 1.00 0.00 N ATOM 55 CA HIS A 4 -12.351 -0.537 6.240 1.00 0.00 C ATOM 56 C HIS A 4 -12.004 0.721 7.024 1.00 0.00 C ATOM 57 O HIS A 4 -12.454 0.891 8.156 1.00 0.00 O ATOM 58 CB HIS A 4 -13.815 -0.535 5.764 1.00 0.00 C ATOM 59 CG HIS A 4 -13.954 0.333 4.547 1.00 0.00 C ATOM 60 ND1 HIS A 4 -14.268 -0.159 3.267 1.00 0.00 N ATOM 61 CD2 HIS A 4 -13.825 1.671 4.414 1.00 0.00 C ATOM 62 CE1 HIS A 4 -14.311 0.898 2.439 1.00 0.00 C ATOM 63 NE2 HIS A 4 -14.053 2.040 3.087 1.00 0.00 N ATOM 0 H HIS A 4 -12.707 -1.749 7.889 1.00 0.00 H new ATOM 0 HA HIS A 4 -11.697 -0.551 5.368 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -14.134 -1.552 5.535 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -14.465 -0.169 6.559 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -13.582 2.354 5.215 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -14.527 0.834 1.383 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -14.028 2.981 2.694 1.00 0.00 H new ATOM 71 N LEU A 5 -11.208 1.607 6.417 1.00 0.00 N ATOM 72 CA LEU A 5 -10.816 2.860 7.077 1.00 0.00 C ATOM 73 C LEU A 5 -11.189 4.059 6.219 1.00 0.00 C ATOM 74 O LEU A 5 -10.756 4.172 5.070 1.00 0.00 O ATOM 75 CB LEU A 5 -9.310 2.865 7.337 1.00 0.00 C ATOM 76 CG LEU A 5 -8.888 4.212 7.941 1.00 0.00 C ATOM 77 CD1 LEU A 5 -9.644 4.462 9.252 1.00 0.00 C ATOM 78 CD2 LEU A 5 -7.393 4.172 8.223 1.00 0.00 C ATOM 0 H LEU A 5 -10.825 1.484 5.480 1.00 0.00 H new ATOM 0 HA LEU A 5 -11.349 2.929 8.026 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -9.047 2.054 8.016 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -8.771 2.689 6.406 1.00 0.00 H new ATOM 0 HG LEU A 5 -9.120 5.014 7.241 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -9.337 5.420 9.672 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -10.716 4.478 9.056 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -9.417 3.666 9.961 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -7.078 5.123 8.653 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -7.177 3.367 8.925 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -6.852 3.997 7.293 1.00 0.00 H new ATOM 90 N GLN A 6 -11.968 4.971 6.796 1.00 0.00 N ATOM 91 CA GLN A 6 -12.370 6.186 6.093 1.00 0.00 C ATOM 92 C GLN A 6 -12.238 7.387 7.022 1.00 0.00 C ATOM 93 O GLN A 6 -13.000 7.534 7.977 1.00 0.00 O ATOM 94 CB GLN A 6 -13.816 6.054 5.609 1.00 0.00 C ATOM 95 CG GLN A 6 -14.202 7.292 4.798 1.00 0.00 C ATOM 96 CD GLN A 6 -15.666 7.212 4.387 1.00 0.00 C ATOM 97 OE1 GLN A 6 -16.553 7.169 5.240 1.00 0.00 O ATOM 98 NE2 GLN A 6 -15.971 7.181 3.118 1.00 0.00 N ATOM 0 H GLN A 6 -12.332 4.892 7.745 1.00 0.00 H new ATOM 0 HA GLN A 6 -11.721 6.331 5.230 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -13.925 5.158 4.998 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -14.486 5.942 6.461 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -14.031 8.192 5.389 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -13.571 7.368 3.912 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -15.233 7.217 2.415 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -16.948 7.121 2.830 1.00 0.00 H new ATOM 107 N ILE A 7 -11.267 8.252 6.727 1.00 0.00 N ATOM 108 CA ILE A 7 -11.037 9.447 7.539 1.00 0.00 C ATOM 109 C ILE A 7 -10.615 10.620 6.656 1.00 0.00 C ATOM 110 O ILE A 7 -10.957 10.607 5.485 1.00 0.00 O ATOM 111 CB ILE A 7 -9.958 9.161 8.598 1.00 0.00 C ATOM 112 CG1 ILE A 7 -8.649 8.758 7.909 1.00 0.00 C ATOM 113 CG2 ILE A 7 -10.422 8.027 9.506 1.00 0.00 C ATOM 114 CD1 ILE A 7 -7.516 8.613 8.938 1.00 0.00 C ATOM 115 OXT ILE A 7 -9.953 11.509 7.164 1.00 0.00 O ATOM 0 H ILE A 7 -10.631 8.149 5.937 1.00 0.00 H new ATOM 0 HA ILE A 7 -11.966 9.713 8.043 1.00 0.00 H new ATOM 0 HB ILE A 7 -9.792 10.060 9.192 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -8.787 7.817 7.377 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -8.378 9.507 7.165 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -9.657 7.825 10.256 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -11.349 8.314 10.002 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -10.592 7.130 8.910 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -6.596 8.327 8.428 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -7.366 9.563 9.451 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -7.781 7.846 9.666 1.00 0.00 H new ATOM 128 N ILE C 1 -8.226 -11.571 3.902 1.00 0.00 N ATOM 129 CA ILE C 1 -8.245 -10.207 4.501 1.00 0.00 C ATOM 130 C ILE C 1 -8.349 -9.158 3.404 1.00 0.00 C ATOM 131 O ILE C 1 -7.489 -9.071 2.511 1.00 0.00 O ATOM 132 CB ILE C 1 -6.951 -9.986 5.317 1.00 0.00 C ATOM 133 CG1 ILE C 1 -6.756 -8.483 5.652 1.00 0.00 C ATOM 134 CG2 ILE C 1 -5.749 -10.491 4.497 1.00 0.00 C ATOM 135 CD1 ILE C 1 -7.972 -7.933 6.397 1.00 0.00 C ATOM 0 H1 ILE C 1 -7.748 -12.228 4.551 1.00 0.00 H new ATOM 0 H2 ILE C 1 -9.202 -11.893 3.740 1.00 0.00 H new ATOM 0 H3 ILE C 1 -7.715 -11.545 2.996 1.00 0.00 H new ATOM 0 HA ILE C 1 -9.109 -10.115 5.159 1.00 0.00 H new ATOM 0 HB ILE C 1 -7.027 -10.538 6.254 1.00 0.00 H new ATOM 0 HG12 ILE C 1 -5.861 -8.354 6.261 1.00 0.00 H new ATOM 0 HG13 ILE C 1 -6.600 -7.918 4.733 1.00 0.00 H new ATOM 0 HG21 ILE C 1 -4.831 -10.339 5.065 1.00 0.00 H new ATOM 0 HG22 ILE C 1 -5.873 -11.553 4.286 1.00 0.00 H new ATOM 0 HG23 ILE C 1 -5.691 -9.939 3.559 1.00 0.00 H new ATOM 0 HD11 ILE C 1 -7.814 -6.878 6.622 1.00 0.00 H new ATOM 0 HD12 ILE C 1 -8.860 -8.042 5.775 1.00 0.00 H new ATOM 0 HD13 ILE C 1 -8.110 -8.486 7.326 1.00 0.00 H new ATOM 149 N HIS C 2 -9.365 -8.309 3.511 1.00 0.00 N ATOM 150 CA HIS C 2 -9.507 -7.206 2.565 1.00 0.00 C ATOM 151 C HIS C 2 -9.242 -5.921 3.328 1.00 0.00 C ATOM 152 O HIS C 2 -9.906 -5.648 4.333 1.00 0.00 O ATOM 153 CB HIS C 2 -10.932 -7.182 1.970 1.00 0.00 C ATOM 154 CG HIS C 2 -10.989 -8.034 0.726 1.00 0.00 C ATOM 155 ND1 HIS C 2 -11.241 -7.501 -0.535 1.00 0.00 N ATOM 156 CD2 HIS C 2 -10.826 -9.384 0.533 1.00 0.00 C ATOM 157 CE1 HIS C 2 -11.217 -8.517 -1.414 1.00 0.00 C ATOM 158 NE2 HIS C 2 -10.970 -9.686 -0.816 1.00 0.00 N ATOM 0 H HIS C 2 -10.089 -8.359 4.227 1.00 0.00 H new ATOM 0 HA HIS C 2 -8.805 -7.321 1.739 1.00 0.00 H new ATOM 0 HB2 HIS C 2 -11.648 -7.550 2.705 1.00 0.00 H new ATOM 0 HB3 HIS C 2 -11.218 -6.157 1.732 1.00 0.00 H new ATOM 0 HD2 HIS C 2 -10.617 -10.102 1.312 1.00 0.00 H new ATOM 0 HE1 HIS C 2 -11.378 -8.403 -2.476 1.00 0.00 H new ATOM 0 HE2 HIS C 2 -10.902 -10.604 -1.256 1.00 0.00 H new ATOM 166 N VAL C 3 -8.287 -5.123 2.853 1.00 0.00 N ATOM 167 CA VAL C 3 -7.980 -3.860 3.511 1.00 0.00 C ATOM 168 C VAL C 3 -8.331 -2.724 2.586 1.00 0.00 C ATOM 169 O VAL C 3 -7.827 -2.652 1.463 1.00 0.00 O ATOM 170 CB VAL C 3 -6.486 -3.799 3.852 1.00 0.00 C ATOM 171 CG1 VAL C 3 -6.171 -2.532 4.666 1.00 0.00 C ATOM 172 CG2 VAL C 3 -6.081 -5.049 4.640 1.00 0.00 C ATOM 0 H VAL C 3 -7.722 -5.326 2.028 1.00 0.00 H new ATOM 0 HA VAL C 3 -8.559 -3.780 4.431 1.00 0.00 H new ATOM 0 HB VAL C 3 -5.915 -3.763 2.924 1.00 0.00 H new ATOM 0 HG11 VAL C 3 -5.107 -2.505 4.899 1.00 0.00 H new ATOM 0 HG12 VAL C 3 -6.438 -1.650 4.084 1.00 0.00 H new ATOM 0 HG13 VAL C 3 -6.745 -2.543 5.592 1.00 0.00 H new ATOM 0 HG21 VAL C 3 -5.019 -5.000 4.879 1.00 0.00 H new ATOM 0 HG22 VAL C 3 -6.659 -5.100 5.563 1.00 0.00 H new ATOM 0 HG23 VAL C 3 -6.277 -5.937 4.039 1.00 0.00 H new ATOM 182 N HIS C 4 -9.166 -1.811 3.069 1.00 0.00 N ATOM 183 CA HIS C 4 -9.546 -0.638 2.276 1.00 0.00 C ATOM 184 C HIS C 4 -9.093 0.605 3.035 1.00 0.00 C ATOM 185 O HIS C 4 -9.379 0.737 4.226 1.00 0.00 O ATOM 186 CB HIS C 4 -11.081 -0.644 2.046 1.00 0.00 C ATOM 187 CG HIS C 4 -11.531 -1.930 1.336 1.00 0.00 C ATOM 188 ND1 HIS C 4 -12.730 -2.588 1.648 1.00 0.00 N ATOM 189 CD2 HIS C 4 -10.942 -2.711 0.351 1.00 0.00 C ATOM 190 CE1 HIS C 4 -12.806 -3.690 0.880 1.00 0.00 C ATOM 191 NE2 HIS C 4 -11.747 -3.818 0.076 1.00 0.00 N ATOM 0 H HIS C 4 -9.591 -1.855 3.995 1.00 0.00 H new ATOM 0 HA HIS C 4 -9.070 -0.650 1.296 1.00 0.00 H new ATOM 0 HB2 HIS C 4 -11.595 -0.555 3.003 1.00 0.00 H new ATOM 0 HB3 HIS C 4 -11.365 0.223 1.449 1.00 0.00 H new ATOM 0 HD1 HIS C 4 -13.421 -2.285 2.335 1.00 0.00 H new ATOM 0 HD2 HIS C 4 -10.000 -2.494 -0.131 1.00 0.00 H new ATOM 0 HE1 HIS C 4 -13.628 -4.390 0.910 1.00 0.00 H new ATOM 198 N LEU C 5 -8.367 1.507 2.369 1.00 0.00 N ATOM 199 CA LEU C 5 -7.864 2.709 3.042 1.00 0.00 C ATOM 200 C LEU C 5 -8.235 3.957 2.259 1.00 0.00 C ATOM 201 O LEU C 5 -7.876 4.094 1.087 1.00 0.00 O ATOM 202 CB LEU C 5 -6.339 2.613 3.127 1.00 0.00 C ATOM 203 CG LEU C 5 -5.931 1.241 3.687 1.00 0.00 C ATOM 204 CD1 LEU C 5 -4.433 1.033 3.493 1.00 0.00 C ATOM 205 CD2 LEU C 5 -6.256 1.165 5.184 1.00 0.00 C ATOM 0 H LEU C 5 -8.117 1.432 1.383 1.00 0.00 H new ATOM 0 HA LEU C 5 -8.307 2.775 4.036 1.00 0.00 H new ATOM 0 HB2 LEU C 5 -5.901 2.757 2.139 1.00 0.00 H new ATOM 0 HB3 LEU C 5 -5.951 3.406 3.766 1.00 0.00 H new ATOM 0 HG LEU C 5 -6.485 0.467 3.156 1.00 0.00 H new ATOM 0 HD11 LEU C 5 -4.146 0.060 3.891 1.00 0.00 H new ATOM 0 HD12 LEU C 5 -4.194 1.075 2.430 1.00 0.00 H new ATOM 0 HD13 LEU C 5 -3.886 1.815 4.019 1.00 0.00 H new ATOM 0 HD21 LEU C 5 -5.963 0.189 5.571 1.00 0.00 H new ATOM 0 HD22 LEU C 5 -5.710 1.945 5.715 1.00 0.00 H new ATOM 0 HD23 LEU C 5 -7.327 1.307 5.332 1.00 0.00 H new ATOM 217 N GLN C 6 -8.935 4.880 2.912 1.00 0.00 N ATOM 218 CA GLN C 6 -9.324 6.126 2.264 1.00 0.00 C ATOM 219 C GLN C 6 -9.091 7.285 3.219 1.00 0.00 C ATOM 220 O GLN C 6 -9.823 7.455 4.198 1.00 0.00 O ATOM 221 CB GLN C 6 -10.800 6.063 1.867 1.00 0.00 C ATOM 222 CG GLN C 6 -11.164 7.303 1.050 1.00 0.00 C ATOM 223 CD GLN C 6 -12.652 7.298 0.725 1.00 0.00 C ATOM 224 OE1 GLN C 6 -13.489 7.324 1.622 1.00 0.00 O ATOM 225 NE2 GLN C 6 -13.032 7.257 -0.522 1.00 0.00 N ATOM 0 H GLN C 6 -9.242 4.789 3.881 1.00 0.00 H new ATOM 0 HA GLN C 6 -8.723 6.273 1.367 1.00 0.00 H new ATOM 0 HB2 GLN C 6 -10.992 5.162 1.285 1.00 0.00 H new ATOM 0 HB3 GLN C 6 -11.425 6.006 2.758 1.00 0.00 H new ATOM 0 HG2 GLN C 6 -10.909 8.204 1.608 1.00 0.00 H new ATOM 0 HG3 GLN C 6 -10.583 7.324 0.128 1.00 0.00 H new ATOM 0 HE21 GLN C 6 -12.336 7.235 -1.267 1.00 0.00 H new ATOM 0 HE22 GLN C 6 -14.026 7.247 -0.752 1.00 0.00 H new ATOM 234 N ILE C 7 -8.060 8.083 2.939 1.00 0.00 N ATOM 235 CA ILE C 7 -7.733 9.228 3.795 1.00 0.00 C ATOM 236 C ILE C 7 -8.139 10.529 3.113 1.00 0.00 C ATOM 237 O ILE C 7 -8.557 11.437 3.814 1.00 0.00 O ATOM 238 CB ILE C 7 -6.226 9.253 4.099 1.00 0.00 C ATOM 239 CG1 ILE C 7 -5.758 7.833 4.483 1.00 0.00 C ATOM 240 CG2 ILE C 7 -5.925 10.255 5.241 1.00 0.00 C ATOM 241 CD1 ILE C 7 -6.572 7.299 5.661 1.00 0.00 C ATOM 242 OXT ILE C 7 -8.028 10.600 1.900 1.00 0.00 O ATOM 0 H ILE C 7 -7.442 7.962 2.136 1.00 0.00 H new ATOM 0 HA ILE C 7 -8.284 9.128 4.730 1.00 0.00 H new ATOM 0 HB ILE C 7 -5.683 9.578 3.212 1.00 0.00 H new ATOM 0 HG12 ILE C 7 -5.865 7.165 3.628 1.00 0.00 H new ATOM 0 HG13 ILE C 7 -4.700 7.851 4.744 1.00 0.00 H new ATOM 0 HG21 ILE C 7 -4.854 10.262 5.446 1.00 0.00 H new ATOM 0 HG22 ILE C 7 -6.244 11.254 4.942 1.00 0.00 H new ATOM 0 HG23 ILE C 7 -6.464 9.955 6.140 1.00 0.00 H new ATOM 0 HD11 ILE C 7 -6.227 6.297 5.917 1.00 0.00 H new ATOM 0 HD12 ILE C 7 -6.444 7.957 6.520 1.00 0.00 H new ATOM 0 HD13 ILE C 7 -7.626 7.261 5.387 1.00 0.00 H new ATOM 255 N ILE E 1 -5.285 -11.701 -0.441 1.00 0.00 N ATOM 256 CA ILE E 1 -5.238 -10.438 0.352 1.00 0.00 C ATOM 257 C ILE E 1 -5.382 -9.254 -0.612 1.00 0.00 C ATOM 258 O ILE E 1 -4.560 -9.083 -1.518 1.00 0.00 O ATOM 259 CB ILE E 1 -3.879 -10.345 1.077 1.00 0.00 C ATOM 260 CG1 ILE E 1 -3.647 -11.625 1.906 1.00 0.00 C ATOM 261 CG2 ILE E 1 -3.859 -9.099 1.981 1.00 0.00 C ATOM 262 CD1 ILE E 1 -2.217 -11.640 2.444 1.00 0.00 C ATOM 0 H1 ILE E 1 -5.627 -12.477 0.162 1.00 0.00 H new ATOM 0 H2 ILE E 1 -5.929 -11.580 -1.248 1.00 0.00 H new ATOM 0 H3 ILE E 1 -4.332 -11.928 -0.790 1.00 0.00 H new ATOM 0 HA ILE E 1 -6.043 -10.423 1.087 1.00 0.00 H new ATOM 0 HB ILE E 1 -3.077 -10.255 0.345 1.00 0.00 H new ATOM 0 HG12 ILE E 1 -4.357 -11.668 2.732 1.00 0.00 H new ATOM 0 HG13 ILE E 1 -3.823 -12.506 1.289 1.00 0.00 H new ATOM 0 HG21 ILE E 1 -2.898 -9.036 2.492 1.00 0.00 H new ATOM 0 HG22 ILE E 1 -4.007 -8.206 1.373 1.00 0.00 H new ATOM 0 HG23 ILE E 1 -4.658 -9.172 2.719 1.00 0.00 H new ATOM 0 HD11 ILE E 1 -2.058 -12.546 3.029 1.00 0.00 H new ATOM 0 HD12 ILE E 1 -1.515 -11.618 1.611 1.00 0.00 H new ATOM 0 HD13 ILE E 1 -2.057 -10.767 3.077 1.00 0.00 H new ATOM 276 N HIS E 2 -6.414 -8.419 -0.422 1.00 0.00 N ATOM 277 CA HIS E 2 -6.589 -7.270 -1.290 1.00 0.00 C ATOM 278 C HIS E 2 -6.329 -6.003 -0.491 1.00 0.00 C ATOM 279 O HIS E 2 -7.016 -5.742 0.494 1.00 0.00 O ATOM 280 CB HIS E 2 -8.057 -7.275 -1.777 1.00 0.00 C ATOM 281 CG HIS E 2 -8.424 -5.950 -2.394 1.00 0.00 C ATOM 282 ND1 HIS E 2 -9.695 -5.358 -2.269 1.00 0.00 N ATOM 283 CD2 HIS E 2 -7.700 -5.105 -3.180 1.00 0.00 C ATOM 284 CE1 HIS E 2 -9.679 -4.219 -2.972 1.00 0.00 C ATOM 285 NE2 HIS E 2 -8.498 -4.005 -3.550 1.00 0.00 N ATOM 0 H HIS E 2 -7.118 -8.522 0.309 1.00 0.00 H new ATOM 0 HA HIS E 2 -5.902 -7.310 -2.135 1.00 0.00 H new ATOM 0 HB2 HIS E 2 -8.199 -8.072 -2.507 1.00 0.00 H new ATOM 0 HB3 HIS E 2 -8.721 -7.487 -0.939 1.00 0.00 H new ATOM 0 HD1 HIS E 2 -10.484 -5.729 -1.740 1.00 0.00 H new ATOM 0 HD2 HIS E 2 -6.672 -5.256 -3.474 1.00 0.00 H new ATOM 0 HE1 HIS E 2 -10.524 -3.552 -3.060 1.00 0.00 H new ATOM 292 N VAL E 3 -5.370 -5.189 -0.942 1.00 0.00 N ATOM 293 CA VAL E 3 -5.082 -3.920 -0.270 1.00 0.00 C ATOM 294 C VAL E 3 -5.315 -2.760 -1.230 1.00 0.00 C ATOM 295 O VAL E 3 -4.689 -2.694 -2.295 1.00 0.00 O ATOM 296 CB VAL E 3 -3.639 -3.920 0.248 1.00 0.00 C ATOM 297 CG1 VAL E 3 -3.440 -5.082 1.227 1.00 0.00 C ATOM 298 CG2 VAL E 3 -2.682 -4.084 -0.924 1.00 0.00 C ATOM 0 H VAL E 3 -4.788 -5.382 -1.757 1.00 0.00 H new ATOM 0 HA VAL E 3 -5.752 -3.801 0.581 1.00 0.00 H new ATOM 0 HB VAL E 3 -3.440 -2.978 0.758 1.00 0.00 H new ATOM 0 HG11 VAL E 3 -2.413 -5.078 1.592 1.00 0.00 H new ATOM 0 HG12 VAL E 3 -4.125 -4.971 2.068 1.00 0.00 H new ATOM 0 HG13 VAL E 3 -3.640 -6.025 0.718 1.00 0.00 H new ATOM 0 HG21 VAL E 3 -1.655 -4.084 -0.558 1.00 0.00 H new ATOM 0 HG22 VAL E 3 -2.887 -5.027 -1.432 1.00 0.00 H new ATOM 0 HG23 VAL E 3 -2.818 -3.259 -1.623 1.00 0.00 H new ATOM 308 N HIS E 4 -6.191 -1.832 -0.849 1.00 0.00 N ATOM 309 CA HIS E 4 -6.461 -0.678 -1.661 1.00 0.00 C ATOM 310 C HIS E 4 -6.098 0.600 -0.920 1.00 0.00 C ATOM 311 O HIS E 4 -6.509 0.789 0.228 1.00 0.00 O ATOM 312 CB HIS E 4 -7.944 -0.710 -2.064 1.00 0.00 C ATOM 313 CG HIS E 4 -8.167 0.161 -3.266 1.00 0.00 C ATOM 314 ND1 HIS E 4 -8.532 -0.331 -4.532 1.00 0.00 N ATOM 315 CD2 HIS E 4 -8.090 1.505 -3.392 1.00 0.00 C ATOM 316 CE1 HIS E 4 -8.659 0.731 -5.345 1.00 0.00 C ATOM 317 NE2 HIS E 4 -8.404 1.876 -4.701 1.00 0.00 N ATOM 0 H HIS E 4 -6.720 -1.870 0.022 1.00 0.00 H new ATOM 0 HA HIS E 4 -5.847 -0.696 -2.562 1.00 0.00 H new ATOM 0 HB2 HIS E 4 -8.248 -1.733 -2.285 1.00 0.00 H new ATOM 0 HB3 HIS E 4 -8.562 -0.366 -1.235 1.00 0.00 H new ATOM 0 HD2 HIS E 4 -7.825 2.189 -2.599 1.00 0.00 H new ATOM 0 HE1 HIS E 4 -8.933 0.668 -6.388 1.00 0.00 H new ATOM 0 HE2 HIS E 4 -8.433 2.820 -5.085 1.00 0.00 H new ATOM 325 N LEU E 5 -5.337 1.482 -1.581 1.00 0.00 N ATOM 326 CA LEU E 5 -4.931 2.752 -0.964 1.00 0.00 C ATOM 327 C LEU E 5 -5.370 3.940 -1.805 1.00 0.00 C ATOM 328 O LEU E 5 -4.975 4.071 -2.966 1.00 0.00 O ATOM 329 CB LEU E 5 -3.412 2.780 -0.779 1.00 0.00 C ATOM 330 CG LEU E 5 -2.975 4.146 -0.229 1.00 0.00 C ATOM 331 CD1 LEU E 5 -3.670 4.418 1.110 1.00 0.00 C ATOM 332 CD2 LEU E 5 -1.463 4.131 -0.022 1.00 0.00 C ATOM 0 H LEU E 5 -4.993 1.343 -2.531 1.00 0.00 H new ATOM 0 HA LEU E 5 -5.418 2.826 0.008 1.00 0.00 H new ATOM 0 HB2 LEU E 5 -3.106 1.988 -0.095 1.00 0.00 H new ATOM 0 HB3 LEU E 5 -2.918 2.587 -1.731 1.00 0.00 H new ATOM 0 HG LEU E 5 -3.249 4.929 -0.936 1.00 0.00 H new ATOM 0 HD11 LEU E 5 -3.355 5.388 1.493 1.00 0.00 H new ATOM 0 HD12 LEU E 5 -4.750 4.419 0.966 1.00 0.00 H new ATOM 0 HD13 LEU E 5 -3.400 3.641 1.825 1.00 0.00 H new ATOM 0 HD21 LEU E 5 -1.140 5.096 0.369 1.00 0.00 H new ATOM 0 HD22 LEU E 5 -1.201 3.346 0.687 1.00 0.00 H new ATOM 0 HD23 LEU E 5 -0.967 3.940 -0.974 1.00 0.00 H new ATOM 344 N GLN E 6 -6.159 4.827 -1.195 1.00 0.00 N ATOM 345 CA GLN E 6 -6.619 6.032 -1.881 1.00 0.00 C ATOM 346 C GLN E 6 -6.455 7.245 -0.970 1.00 0.00 C ATOM 347 O GLN E 6 -7.134 7.369 0.056 1.00 0.00 O ATOM 348 CB GLN E 6 -8.086 5.873 -2.283 1.00 0.00 C ATOM 349 CG GLN E 6 -8.530 7.095 -3.092 1.00 0.00 C ATOM 350 CD GLN E 6 -10.010 6.991 -3.425 1.00 0.00 C ATOM 351 OE1 GLN E 6 -10.852 6.931 -2.529 1.00 0.00 O ATOM 352 NE2 GLN E 6 -10.375 6.964 -4.678 1.00 0.00 N ATOM 0 H GLN E 6 -6.490 4.733 -0.235 1.00 0.00 H new ATOM 0 HA GLN E 6 -6.019 6.181 -2.779 1.00 0.00 H new ATOM 0 HB2 GLN E 6 -8.216 4.966 -2.874 1.00 0.00 H new ATOM 0 HB3 GLN E 6 -8.708 5.767 -1.394 1.00 0.00 H new ATOM 0 HG2 GLN E 6 -8.340 8.006 -2.524 1.00 0.00 H new ATOM 0 HG3 GLN E 6 -7.947 7.165 -4.010 1.00 0.00 H new ATOM 0 HE21 GLN E 6 -9.672 7.014 -5.415 1.00 0.00 H new ATOM 0 HE22 GLN E 6 -11.363 6.893 -4.920 1.00 0.00 H new ATOM 361 N ILE E 7 -5.554 8.148 -1.363 1.00 0.00 N ATOM 362 CA ILE E 7 -5.298 9.362 -0.586 1.00 0.00 C ATOM 363 C ILE E 7 -4.962 10.532 -1.506 1.00 0.00 C ATOM 364 O ILE E 7 -5.328 10.470 -2.668 1.00 0.00 O ATOM 365 CB ILE E 7 -4.140 9.110 0.398 1.00 0.00 C ATOM 366 CG1 ILE E 7 -2.859 8.766 -0.375 1.00 0.00 C ATOM 367 CG2 ILE E 7 -4.495 7.943 1.319 1.00 0.00 C ATOM 368 CD1 ILE E 7 -1.664 8.638 0.586 1.00 0.00 C ATOM 369 OXT ILE E 7 -4.337 11.469 -1.037 1.00 0.00 O ATOM 0 H ILE E 7 -4.992 8.062 -2.210 1.00 0.00 H new ATOM 0 HA ILE E 7 -6.198 9.617 -0.027 1.00 0.00 H new ATOM 0 HB ILE E 7 -3.976 10.011 0.988 1.00 0.00 H new ATOM 0 HG12 ILE E 7 -2.996 7.832 -0.920 1.00 0.00 H new ATOM 0 HG13 ILE E 7 -2.656 9.540 -1.115 1.00 0.00 H new ATOM 0 HG21 ILE E 7 -3.675 7.766 2.015 1.00 0.00 H new ATOM 0 HG22 ILE E 7 -5.399 8.183 1.878 1.00 0.00 H new ATOM 0 HG23 ILE E 7 -4.664 7.047 0.722 1.00 0.00 H new ATOM 0 HD11 ILE E 7 -0.766 8.394 0.019 1.00 0.00 H new ATOM 0 HD12 ILE E 7 -1.517 9.582 1.111 1.00 0.00 H new ATOM 0 HD13 ILE E 7 -1.862 7.847 1.310 1.00 0.00 H new ATOM 382 N ILE G 1 -2.047 -11.643 -3.860 1.00 0.00 N ATOM 383 CA ILE G 1 -2.082 -10.270 -3.288 1.00 0.00 C ATOM 384 C ILE G 1 -2.220 -9.245 -4.405 1.00 0.00 C ATOM 385 O ILE G 1 -1.354 -9.139 -5.288 1.00 0.00 O ATOM 386 CB ILE G 1 -0.778 -10.012 -2.497 1.00 0.00 C ATOM 387 CG1 ILE G 1 -0.595 -8.498 -2.207 1.00 0.00 C ATOM 388 CG2 ILE G 1 0.422 -10.526 -3.316 1.00 0.00 C ATOM 389 CD1 ILE G 1 -1.806 -7.943 -1.461 1.00 0.00 C ATOM 0 H1 ILE G 1 -1.563 -12.283 -3.198 1.00 0.00 H new ATOM 0 H2 ILE G 1 -3.019 -11.978 -4.017 1.00 0.00 H new ATOM 0 H3 ILE G 1 -1.535 -11.629 -4.765 1.00 0.00 H new ATOM 0 HA ILE G 1 -2.938 -10.179 -2.619 1.00 0.00 H new ATOM 0 HB ILE G 1 -0.838 -10.540 -1.545 1.00 0.00 H new ATOM 0 HG12 ILE G 1 0.307 -8.342 -1.615 1.00 0.00 H new ATOM 0 HG13 ILE G 1 -0.459 -7.957 -3.143 1.00 0.00 H new ATOM 0 HG21 ILE G 1 1.344 -10.346 -2.763 1.00 0.00 H new ATOM 0 HG22 ILE G 1 0.309 -11.595 -3.495 1.00 0.00 H new ATOM 0 HG23 ILE G 1 0.463 -10.000 -4.270 1.00 0.00 H new ATOM 0 HD11 ILE G 1 -1.658 -6.881 -1.267 1.00 0.00 H new ATOM 0 HD12 ILE G 1 -2.701 -8.080 -2.068 1.00 0.00 H new ATOM 0 HD13 ILE G 1 -1.924 -8.471 -0.515 1.00 0.00 H new ATOM 403 N HIS G 2 -3.273 -8.433 -4.326 1.00 0.00 N ATOM 404 CA HIS G 2 -3.446 -7.357 -5.297 1.00 0.00 C ATOM 405 C HIS G 2 -3.211 -6.054 -4.561 1.00 0.00 C ATOM 406 O HIS G 2 -3.881 -5.778 -3.561 1.00 0.00 O ATOM 407 CB HIS G 2 -4.875 -7.377 -5.880 1.00 0.00 C ATOM 408 CG HIS G 2 -4.919 -8.236 -7.118 1.00 0.00 C ATOM 409 ND1 HIS G 2 -5.214 -7.719 -8.374 1.00 0.00 N ATOM 410 CD2 HIS G 2 -4.707 -9.578 -7.304 1.00 0.00 C ATOM 411 CE1 HIS G 2 -5.169 -8.741 -9.248 1.00 0.00 C ATOM 412 NE2 HIS G 2 -4.865 -9.895 -8.649 1.00 0.00 N ATOM 0 H HIS G 2 -4.003 -8.497 -3.617 1.00 0.00 H new ATOM 0 HA HIS G 2 -2.747 -7.475 -6.125 1.00 0.00 H new ATOM 0 HB2 HIS G 2 -5.574 -7.761 -5.137 1.00 0.00 H new ATOM 0 HB3 HIS G 2 -5.192 -6.362 -6.121 1.00 0.00 H new ATOM 0 HD2 HIS G 2 -4.456 -10.282 -6.524 1.00 0.00 H new ATOM 0 HE1 HIS G 2 -5.356 -8.640 -10.307 1.00 0.00 H new ATOM 0 HE2 HIS G 2 -4.769 -10.812 -9.084 1.00 0.00 H new ATOM 420 N VAL G 3 -2.275 -5.243 -5.057 1.00 0.00 N ATOM 421 CA VAL G 3 -1.988 -3.963 -4.422 1.00 0.00 C ATOM 422 C VAL G 3 -2.366 -2.845 -5.360 1.00 0.00 C ATOM 423 O VAL G 3 -1.870 -2.774 -6.487 1.00 0.00 O ATOM 424 CB VAL G 3 -0.491 -3.867 -4.089 1.00 0.00 C ATOM 425 CG1 VAL G 3 -0.198 -2.585 -3.295 1.00 0.00 C ATOM 426 CG2 VAL G 3 -0.051 -5.097 -3.289 1.00 0.00 C ATOM 0 H VAL G 3 -1.713 -5.448 -5.883 1.00 0.00 H new ATOM 0 HA VAL G 3 -2.565 -3.882 -3.501 1.00 0.00 H new ATOM 0 HB VAL G 3 0.072 -3.832 -5.022 1.00 0.00 H new ATOM 0 HG11 VAL G 3 0.867 -2.533 -3.068 1.00 0.00 H new ATOM 0 HG12 VAL G 3 -0.485 -1.716 -3.888 1.00 0.00 H new ATOM 0 HG13 VAL G 3 -0.767 -2.595 -2.366 1.00 0.00 H new ATOM 0 HG21 VAL G 3 1.011 -5.020 -3.058 1.00 0.00 H new ATOM 0 HG22 VAL G 3 -0.621 -5.151 -2.362 1.00 0.00 H new ATOM 0 HG23 VAL G 3 -0.230 -5.997 -3.878 1.00 0.00 H new ATOM 436 N HIS G 4 -3.218 -1.942 -4.880 1.00 0.00 N ATOM 437 CA HIS G 4 -3.626 -0.786 -5.683 1.00 0.00 C ATOM 438 C HIS G 4 -3.192 0.477 -4.945 1.00 0.00 C ATOM 439 O HIS G 4 -3.474 0.623 -3.752 1.00 0.00 O ATOM 440 CB HIS G 4 -5.164 -0.814 -5.903 1.00 0.00 C ATOM 441 CG HIS G 4 -5.604 -2.119 -6.584 1.00 0.00 C ATOM 442 ND1 HIS G 4 -6.786 -2.796 -6.241 1.00 0.00 N ATOM 443 CD2 HIS G 4 -5.017 -2.905 -7.564 1.00 0.00 C ATOM 444 CE1 HIS G 4 -6.852 -3.912 -6.989 1.00 0.00 C ATOM 445 NE2 HIS G 4 -5.804 -4.032 -7.808 1.00 0.00 N ATOM 0 H HIS G 4 -3.636 -1.984 -3.951 1.00 0.00 H new ATOM 0 HA HIS G 4 -3.155 -0.809 -6.666 1.00 0.00 H new ATOM 0 HB2 HIS G 4 -5.673 -0.711 -4.945 1.00 0.00 H new ATOM 0 HB3 HIS G 4 -5.462 0.037 -6.515 1.00 0.00 H new ATOM 0 HD2 HIS G 4 -4.087 -2.679 -8.065 1.00 0.00 H new ATOM 0 HE1 HIS G 4 -7.659 -4.628 -6.934 1.00 0.00 H new ATOM 0 HE2 HIS G 4 -5.618 -4.786 -8.470 1.00 0.00 H new ATOM 452 N LEU G 5 -2.489 1.380 -5.633 1.00 0.00 N ATOM 453 CA LEU G 5 -2.004 2.603 -4.989 1.00 0.00 C ATOM 454 C LEU G 5 -2.421 3.828 -5.788 1.00 0.00 C ATOM 455 O LEU G 5 -2.075 3.958 -6.966 1.00 0.00 O ATOM 456 CB LEU G 5 -0.479 2.551 -4.922 1.00 0.00 C ATOM 457 CG LEU G 5 -0.026 1.205 -4.337 1.00 0.00 C ATOM 458 CD1 LEU G 5 1.480 1.039 -4.534 1.00 0.00 C ATOM 459 CD2 LEU G 5 -0.343 1.147 -2.837 1.00 0.00 C ATOM 0 H LEU G 5 -2.246 1.291 -6.620 1.00 0.00 H new ATOM 0 HA LEU G 5 -2.431 2.672 -3.989 1.00 0.00 H new ATOM 0 HB2 LEU G 5 -0.058 2.684 -5.919 1.00 0.00 H new ATOM 0 HB3 LEU G 5 -0.105 3.369 -4.306 1.00 0.00 H new ATOM 0 HG LEU G 5 -0.557 0.404 -4.851 1.00 0.00 H new ATOM 0 HD11 LEU G 5 1.798 0.083 -4.118 1.00 0.00 H new ATOM 0 HD12 LEU G 5 1.713 1.067 -5.598 1.00 0.00 H new ATOM 0 HD13 LEU G 5 2.005 1.848 -4.026 1.00 0.00 H new ATOM 0 HD21 LEU G 5 -0.017 0.188 -2.433 1.00 0.00 H new ATOM 0 HD22 LEU G 5 0.180 1.954 -2.323 1.00 0.00 H new ATOM 0 HD23 LEU G 5 -1.417 1.258 -2.688 1.00 0.00 H new ATOM 471 N GLN G 6 -3.141 4.740 -5.140 1.00 0.00 N ATOM 472 CA GLN G 6 -3.575 5.965 -5.800 1.00 0.00 C ATOM 473 C GLN G 6 -3.344 7.147 -4.872 1.00 0.00 C ATOM 474 O GLN G 6 -4.055 7.320 -3.878 1.00 0.00 O ATOM 475 CB GLN G 6 -5.059 5.859 -6.156 1.00 0.00 C ATOM 476 CG GLN G 6 -5.476 7.075 -6.983 1.00 0.00 C ATOM 477 CD GLN G 6 -6.973 7.031 -7.270 1.00 0.00 C ATOM 478 OE1 GLN G 6 -7.794 7.035 -6.346 1.00 0.00 O ATOM 479 NE2 GLN G 6 -7.377 6.985 -8.509 1.00 0.00 N ATOM 0 H GLN G 6 -3.434 4.654 -4.167 1.00 0.00 H new ATOM 0 HA GLN G 6 -3.001 6.111 -6.715 1.00 0.00 H new ATOM 0 HB2 GLN G 6 -5.244 4.944 -6.718 1.00 0.00 H new ATOM 0 HB3 GLN G 6 -5.658 5.802 -5.247 1.00 0.00 H new ATOM 0 HG2 GLN G 6 -5.228 7.991 -6.446 1.00 0.00 H new ATOM 0 HG3 GLN G 6 -4.919 7.094 -7.920 1.00 0.00 H new ATOM 0 HE21 GLN G 6 -6.695 6.982 -9.268 1.00 0.00 H new ATOM 0 HE22 GLN G 6 -8.375 6.952 -8.719 1.00 0.00 H new ATOM 488 N ILE G 7 -2.338 7.962 -5.194 1.00 0.00 N ATOM 489 CA ILE G 7 -2.016 9.128 -4.370 1.00 0.00 C ATOM 490 C ILE G 7 -2.474 10.407 -5.063 1.00 0.00 C ATOM 491 O ILE G 7 -2.958 11.290 -4.376 1.00 0.00 O ATOM 492 CB ILE G 7 -0.501 9.197 -4.116 1.00 0.00 C ATOM 493 CG1 ILE G 7 0.013 7.795 -3.725 1.00 0.00 C ATOM 494 CG2 ILE G 7 -0.195 10.228 -3.005 1.00 0.00 C ATOM 495 CD1 ILE G 7 -0.752 7.261 -2.519 1.00 0.00 C ATOM 496 OXT ILE G 7 -2.332 10.484 -6.273 1.00 0.00 O ATOM 0 H ILE G 7 -1.738 7.839 -6.010 1.00 0.00 H new ATOM 0 HA ILE G 7 -2.536 9.031 -3.417 1.00 0.00 H new ATOM 0 HB ILE G 7 0.010 9.519 -5.023 1.00 0.00 H new ATOM 0 HG12 ILE G 7 -0.101 7.112 -4.567 1.00 0.00 H new ATOM 0 HG13 ILE G 7 1.077 7.843 -3.495 1.00 0.00 H new ATOM 0 HG21 ILE G 7 0.881 10.269 -2.833 1.00 0.00 H new ATOM 0 HG22 ILE G 7 -0.551 11.211 -3.313 1.00 0.00 H new ATOM 0 HG23 ILE G 7 -0.699 9.932 -2.085 1.00 0.00 H new ATOM 0 HD11 ILE G 7 -0.376 6.272 -2.258 1.00 0.00 H new ATOM 0 HD12 ILE G 7 -0.616 7.936 -1.674 1.00 0.00 H new ATOM 0 HD13 ILE G 7 -1.812 7.193 -2.762 1.00 0.00 H new ATOM 509 N ILE I 1 0.927 -11.770 -8.186 1.00 0.00 N ATOM 510 CA ILE I 1 0.978 -10.488 -7.423 1.00 0.00 C ATOM 511 C ILE I 1 0.794 -9.330 -8.410 1.00 0.00 C ATOM 512 O ILE I 1 1.597 -9.175 -9.338 1.00 0.00 O ATOM 513 CB ILE I 1 2.357 -10.359 -6.745 1.00 0.00 C ATOM 514 CG1 ILE I 1 2.630 -11.611 -5.888 1.00 0.00 C ATOM 515 CG2 ILE I 1 2.390 -9.092 -5.874 1.00 0.00 C ATOM 516 CD1 ILE I 1 4.079 -11.601 -5.400 1.00 0.00 C ATOM 0 H1 ILE I 1 0.515 -12.514 -7.587 1.00 0.00 H new ATOM 0 H2 ILE I 1 0.340 -11.645 -9.036 1.00 0.00 H new ATOM 0 H3 ILE I 1 1.890 -12.045 -8.467 1.00 0.00 H new ATOM 0 HA ILE I 1 0.194 -10.467 -6.666 1.00 0.00 H new ATOM 0 HB ILE I 1 3.133 -10.279 -7.506 1.00 0.00 H new ATOM 0 HG12 ILE I 1 1.950 -11.635 -5.036 1.00 0.00 H new ATOM 0 HG13 ILE I 1 2.440 -12.511 -6.473 1.00 0.00 H new ATOM 0 HG21 ILE I 1 3.366 -9.004 -5.396 1.00 0.00 H new ATOM 0 HG22 ILE I 1 2.211 -8.217 -6.498 1.00 0.00 H new ATOM 0 HG23 ILE I 1 1.616 -9.156 -5.109 1.00 0.00 H new ATOM 0 HD11 ILE I 1 4.265 -12.488 -4.795 1.00 0.00 H new ATOM 0 HD12 ILE I 1 4.752 -11.599 -6.258 1.00 0.00 H new ATOM 0 HD13 ILE I 1 4.254 -10.709 -4.799 1.00 0.00 H new ATOM 530 N HIS I 2 -0.247 -8.503 -8.212 1.00 0.00 N ATOM 531 CA HIS I 2 -0.461 -7.373 -9.100 1.00 0.00 C ATOM 532 C HIS I 2 -0.212 -6.087 -8.331 1.00 0.00 C ATOM 533 O HIS I 2 -0.887 -5.821 -7.341 1.00 0.00 O ATOM 534 CB HIS I 2 -1.940 -7.409 -9.558 1.00 0.00 C ATOM 535 CG HIS I 2 -2.335 -6.105 -10.207 1.00 0.00 C ATOM 536 ND1 HIS I 2 -3.625 -5.549 -10.111 1.00 0.00 N ATOM 537 CD2 HIS I 2 -1.622 -5.248 -10.990 1.00 0.00 C ATOM 538 CE1 HIS I 2 -3.629 -4.418 -10.827 1.00 0.00 C ATOM 539 NE2 HIS I 2 -2.445 -4.176 -11.385 1.00 0.00 N ATOM 0 H HIS I 2 -0.931 -8.600 -7.462 1.00 0.00 H new ATOM 0 HA HIS I 2 0.211 -7.421 -9.957 1.00 0.00 H new ATOM 0 HB2 HIS I 2 -2.087 -8.229 -10.261 1.00 0.00 H new ATOM 0 HB3 HIS I 2 -2.585 -7.604 -8.701 1.00 0.00 H new ATOM 0 HD1 HIS I 2 -4.412 -5.937 -9.591 1.00 0.00 H new ATOM 0 HD2 HIS I 2 -0.585 -5.372 -11.265 1.00 0.00 H new ATOM 0 HE1 HIS I 2 -4.491 -3.777 -10.939 1.00 0.00 H new ATOM 546 N VAL I 3 0.719 -5.262 -8.815 1.00 0.00 N ATOM 547 CA VAL I 3 0.987 -3.974 -8.172 1.00 0.00 C ATOM 548 C VAL I 3 0.715 -2.840 -9.146 1.00 0.00 C ATOM 549 O VAL I 3 1.323 -2.780 -10.220 1.00 0.00 O ATOM 550 CB VAL I 3 2.431 -3.924 -7.668 1.00 0.00 C ATOM 551 CG1 VAL I 3 2.659 -5.052 -6.661 1.00 0.00 C ATOM 552 CG2 VAL I 3 3.385 -4.102 -8.841 1.00 0.00 C ATOM 0 H VAL I 3 1.291 -5.458 -9.636 1.00 0.00 H new ATOM 0 HA VAL I 3 0.323 -3.859 -7.315 1.00 0.00 H new ATOM 0 HB VAL I 3 2.613 -2.962 -7.189 1.00 0.00 H new ATOM 0 HG11 VAL I 3 3.688 -5.017 -6.302 1.00 0.00 H new ATOM 0 HG12 VAL I 3 1.976 -4.932 -5.820 1.00 0.00 H new ATOM 0 HG13 VAL I 3 2.476 -6.012 -7.143 1.00 0.00 H new ATOM 0 HG21 VAL I 3 4.414 -4.066 -8.482 1.00 0.00 H new ATOM 0 HG22 VAL I 3 3.200 -5.065 -9.318 1.00 0.00 H new ATOM 0 HG23 VAL I 3 3.225 -3.302 -9.564 1.00 0.00 H new ATOM 562 N HIS I 4 -0.178 -1.926 -8.768 1.00 0.00 N ATOM 563 CA HIS I 4 -0.481 -0.795 -9.599 1.00 0.00 C ATOM 564 C HIS I 4 -0.137 0.503 -8.891 1.00 0.00 C ATOM 565 O HIS I 4 -0.535 0.710 -7.742 1.00 0.00 O ATOM 566 CB HIS I 4 -1.966 -0.859 -9.985 1.00 0.00 C ATOM 567 CG HIS I 4 -2.212 -0.006 -11.197 1.00 0.00 C ATOM 568 ND1 HIS I 4 -2.584 -0.520 -12.452 1.00 0.00 N ATOM 569 CD2 HIS I 4 -2.153 1.336 -11.341 1.00 0.00 C ATOM 570 CE1 HIS I 4 -2.731 0.529 -13.279 1.00 0.00 C ATOM 571 NE2 HIS I 4 -2.484 1.687 -12.652 1.00 0.00 N ATOM 0 H HIS I 4 -0.696 -1.959 -7.890 1.00 0.00 H new ATOM 0 HA HIS I 4 0.124 -0.824 -10.506 1.00 0.00 H new ATOM 0 HB2 HIS I 4 -2.254 -1.890 -10.190 1.00 0.00 H new ATOM 0 HB3 HIS I 4 -2.583 -0.514 -9.155 1.00 0.00 H new ATOM 0 HD2 HIS I 4 -1.889 2.033 -10.559 1.00 0.00 H new ATOM 0 HE1 HIS I 4 -3.013 0.449 -14.318 1.00 0.00 H new ATOM 0 HE2 HIS I 4 -2.528 2.626 -13.048 1.00 0.00 H new ATOM 579 N LEU I 5 0.595 1.386 -9.583 1.00 0.00 N ATOM 580 CA LEU I 5 0.982 2.675 -8.999 1.00 0.00 C ATOM 581 C LEU I 5 0.501 3.841 -9.850 1.00 0.00 C ATOM 582 O LEU I 5 0.881 3.970 -11.014 1.00 0.00 O ATOM 583 CB LEU I 5 2.503 2.737 -8.841 1.00 0.00 C ATOM 584 CG LEU I 5 2.925 4.123 -8.334 1.00 0.00 C ATOM 585 CD1 LEU I 5 2.241 4.415 -6.993 1.00 0.00 C ATOM 586 CD2 LEU I 5 4.440 4.137 -8.146 1.00 0.00 C ATOM 0 H LEU I 5 0.927 1.234 -10.535 1.00 0.00 H new ATOM 0 HA LEU I 5 0.508 2.757 -8.021 1.00 0.00 H new ATOM 0 HB2 LEU I 5 2.835 1.969 -8.142 1.00 0.00 H new ATOM 0 HB3 LEU I 5 2.984 2.529 -9.796 1.00 0.00 H new ATOM 0 HG LEU I 5 2.631 4.884 -9.056 1.00 0.00 H new ATOM 0 HD11 LEU I 5 2.544 5.400 -6.637 1.00 0.00 H new ATOM 0 HD12 LEU I 5 1.159 4.393 -7.124 1.00 0.00 H new ATOM 0 HD13 LEU I 5 2.533 3.660 -6.263 1.00 0.00 H new ATOM 0 HD21 LEU I 5 4.753 5.117 -7.786 1.00 0.00 H new ATOM 0 HD22 LEU I 5 4.723 3.376 -7.419 1.00 0.00 H new ATOM 0 HD23 LEU I 5 4.927 3.928 -9.099 1.00 0.00 H new ATOM 598 N GLN I 6 -0.309 4.713 -9.244 1.00 0.00 N ATOM 599 CA GLN I 6 -0.811 5.895 -9.941 1.00 0.00 C ATOM 600 C GLN I 6 -0.653 7.131 -9.062 1.00 0.00 C ATOM 601 O GLN I 6 -1.311 7.258 -8.024 1.00 0.00 O ATOM 602 CB GLN I 6 -2.283 5.698 -10.306 1.00 0.00 C ATOM 603 CG GLN I 6 -2.780 6.904 -11.106 1.00 0.00 C ATOM 604 CD GLN I 6 -4.265 6.760 -11.405 1.00 0.00 C ATOM 605 OE1 GLN I 6 -5.087 6.685 -10.488 1.00 0.00 O ATOM 606 NE2 GLN I 6 -4.656 6.710 -12.650 1.00 0.00 N ATOM 0 H GLN I 6 -0.628 4.622 -8.279 1.00 0.00 H new ATOM 0 HA GLN I 6 -0.233 6.038 -10.854 1.00 0.00 H new ATOM 0 HB2 GLN I 6 -2.404 4.786 -10.891 1.00 0.00 H new ATOM 0 HB3 GLN I 6 -2.879 5.578 -9.402 1.00 0.00 H new ATOM 0 HG2 GLN I 6 -2.602 7.821 -10.544 1.00 0.00 H new ATOM 0 HG3 GLN I 6 -2.220 6.987 -12.038 1.00 0.00 H new ATOM 0 HE21 GLN I 6 -3.971 6.773 -13.403 1.00 0.00 H new ATOM 0 HE22 GLN I 6 -5.647 6.608 -12.870 1.00 0.00 H new ATOM 615 N ILE I 7 0.216 8.047 -9.500 1.00 0.00 N ATOM 616 CA ILE I 7 0.465 9.284 -8.758 1.00 0.00 C ATOM 617 C ILE I 7 0.732 10.446 -9.713 1.00 0.00 C ATOM 618 O ILE I 7 0.382 10.325 -10.875 1.00 0.00 O ATOM 619 CB ILE I 7 1.665 9.086 -7.816 1.00 0.00 C ATOM 620 CG1 ILE I 7 2.933 8.777 -8.630 1.00 0.00 C ATOM 621 CG2 ILE I 7 1.385 7.919 -6.869 1.00 0.00 C ATOM 622 CD1 ILE I 7 4.160 8.691 -7.703 1.00 0.00 C ATOM 623 OXT ILE I 7 1.292 11.433 -9.268 1.00 0.00 O ATOM 0 H ILE I 7 0.756 7.955 -10.361 1.00 0.00 H new ATOM 0 HA ILE I 7 -0.421 9.525 -8.171 1.00 0.00 H new ATOM 0 HB ILE I 7 1.817 10.001 -7.244 1.00 0.00 H new ATOM 0 HG12 ILE I 7 2.808 7.836 -9.166 1.00 0.00 H new ATOM 0 HG13 ILE I 7 3.089 9.553 -9.380 1.00 0.00 H new ATOM 0 HG21 ILE I 7 2.236 7.779 -6.202 1.00 0.00 H new ATOM 0 HG22 ILE I 7 0.494 8.134 -6.280 1.00 0.00 H new ATOM 0 HG23 ILE I 7 1.226 7.010 -7.449 1.00 0.00 H new ATOM 0 HD11 ILE I 7 5.049 8.472 -8.295 1.00 0.00 H new ATOM 0 HD12 ILE I 7 4.293 9.642 -7.187 1.00 0.00 H new ATOM 0 HD13 ILE I 7 4.008 7.899 -6.970 1.00 0.00 H new ATOM 636 N ILE K 1 4.328 -11.792 -11.522 1.00 0.00 N ATOM 637 CA ILE K 1 4.257 -10.405 -10.980 1.00 0.00 C ATOM 638 C ILE K 1 4.044 -9.418 -12.119 1.00 0.00 C ATOM 639 O ILE K 1 4.897 -9.295 -12.998 1.00 0.00 O ATOM 640 CB ILE K 1 5.587 -10.074 -10.256 1.00 0.00 C ATOM 641 CG1 ILE K 1 5.714 -8.547 -10.018 1.00 0.00 C ATOM 642 CG2 ILE K 1 6.792 -10.567 -11.103 1.00 0.00 C ATOM 643 CD1 ILE K 1 4.507 -8.023 -9.244 1.00 0.00 C ATOM 0 H1 ILE K 1 4.798 -12.411 -10.831 1.00 0.00 H new ATOM 0 H2 ILE K 1 3.366 -12.143 -11.704 1.00 0.00 H new ATOM 0 H3 ILE K 1 4.870 -11.790 -12.410 1.00 0.00 H new ATOM 0 HA ILE K 1 3.425 -10.331 -10.280 1.00 0.00 H new ATOM 0 HB ILE K 1 5.587 -10.583 -9.292 1.00 0.00 H new ATOM 0 HG12 ILE K 1 6.628 -8.334 -9.464 1.00 0.00 H new ATOM 0 HG13 ILE K 1 5.793 -8.029 -10.974 1.00 0.00 H new ATOM 0 HG21 ILE K 1 7.722 -10.330 -10.586 1.00 0.00 H new ATOM 0 HG22 ILE K 1 6.720 -11.645 -11.244 1.00 0.00 H new ATOM 0 HG23 ILE K 1 6.781 -10.072 -12.074 1.00 0.00 H new ATOM 0 HD11 ILE K 1 4.614 -6.950 -9.086 1.00 0.00 H new ATOM 0 HD12 ILE K 1 3.598 -8.218 -9.813 1.00 0.00 H new ATOM 0 HD13 ILE K 1 4.447 -8.527 -8.279 1.00 0.00 H new ATOM 657 N HIS K 2 2.950 -8.656 -12.061 1.00 0.00 N ATOM 658 CA HIS K 2 2.720 -7.618 -13.066 1.00 0.00 C ATOM 659 C HIS K 2 2.943 -6.280 -12.385 1.00 0.00 C ATOM 660 O HIS K 2 2.304 -5.991 -11.370 1.00 0.00 O ATOM 661 CB HIS K 2 1.274 -7.687 -13.598 1.00 0.00 C ATOM 662 CG HIS K 2 1.211 -8.567 -14.816 1.00 0.00 C ATOM 663 ND1 HIS K 2 0.803 -8.085 -16.053 1.00 0.00 N ATOM 664 CD2 HIS K 2 1.504 -9.893 -15.002 1.00 0.00 C ATOM 665 CE1 HIS K 2 0.864 -9.114 -16.920 1.00 0.00 C ATOM 666 NE2 HIS K 2 1.284 -10.237 -16.331 1.00 0.00 N ATOM 0 H HIS K 2 2.226 -8.734 -11.347 1.00 0.00 H new ATOM 0 HA HIS K 2 3.396 -7.754 -13.910 1.00 0.00 H new ATOM 0 HB2 HIS K 2 0.612 -8.076 -12.824 1.00 0.00 H new ATOM 0 HB3 HIS K 2 0.921 -6.686 -13.845 1.00 0.00 H new ATOM 0 HD2 HIS K 2 1.852 -10.567 -14.234 1.00 0.00 H new ATOM 0 HE1 HIS K 2 0.605 -9.040 -17.966 1.00 0.00 H new ATOM 0 HE2 HIS K 2 1.415 -11.151 -16.764 1.00 0.00 H new ATOM 674 N VAL K 3 3.836 -5.457 -12.941 1.00 0.00 N ATOM 675 CA VAL K 3 4.101 -4.148 -12.353 1.00 0.00 C ATOM 676 C VAL K 3 3.645 -3.060 -13.299 1.00 0.00 C ATOM 677 O VAL K 3 4.096 -2.995 -14.443 1.00 0.00 O ATOM 678 CB VAL K 3 5.607 -3.995 -12.081 1.00 0.00 C ATOM 679 CG1 VAL K 3 5.879 -2.688 -11.323 1.00 0.00 C ATOM 680 CG2 VAL K 3 6.119 -5.189 -11.263 1.00 0.00 C ATOM 0 H VAL K 3 4.376 -5.670 -13.780 1.00 0.00 H new ATOM 0 HA VAL K 3 3.554 -4.062 -11.414 1.00 0.00 H new ATOM 0 HB VAL K 3 6.133 -3.966 -13.035 1.00 0.00 H new ATOM 0 HG11 VAL K 3 6.949 -2.591 -11.136 1.00 0.00 H new ATOM 0 HG12 VAL K 3 5.537 -1.843 -11.921 1.00 0.00 H new ATOM 0 HG13 VAL K 3 5.345 -2.700 -10.373 1.00 0.00 H new ATOM 0 HG21 VAL K 3 7.186 -5.071 -11.076 1.00 0.00 H new ATOM 0 HG22 VAL K 3 5.587 -5.234 -10.313 1.00 0.00 H new ATOM 0 HG23 VAL K 3 5.948 -6.111 -11.819 1.00 0.00 H new ATOM 690 N HIS K 4 2.783 -2.170 -12.804 1.00 0.00 N ATOM 691 CA HIS K 4 2.314 -1.040 -13.612 1.00 0.00 C ATOM 692 C HIS K 4 2.744 0.250 -12.909 1.00 0.00 C ATOM 693 O HIS K 4 2.495 0.413 -11.710 1.00 0.00 O ATOM 694 CB HIS K 4 0.771 -1.103 -13.786 1.00 0.00 C ATOM 695 CG HIS K 4 0.324 -2.438 -14.400 1.00 0.00 C ATOM 696 ND1 HIS K 4 -0.841 -3.109 -13.995 1.00 0.00 N ATOM 697 CD2 HIS K 4 0.873 -3.242 -15.386 1.00 0.00 C ATOM 698 CE1 HIS K 4 -0.935 -4.240 -14.716 1.00 0.00 C ATOM 699 NE2 HIS K 4 0.078 -4.373 -15.576 1.00 0.00 N ATOM 0 H HIS K 4 2.399 -2.207 -11.860 1.00 0.00 H new ATOM 0 HA HIS K 4 2.750 -1.075 -14.610 1.00 0.00 H new ATOM 0 HB2 HIS K 4 0.290 -0.968 -12.817 1.00 0.00 H new ATOM 0 HB3 HIS K 4 0.442 -0.281 -14.422 1.00 0.00 H new ATOM 0 HD1 HIS K 4 -1.498 -2.795 -13.281 1.00 0.00 H new ATOM 0 HD2 HIS K 4 1.782 -3.025 -15.928 1.00 0.00 H new ATOM 0 HE1 HIS K 4 -1.736 -4.957 -14.612 1.00 0.00 H new ATOM 706 N LEU K 5 3.400 1.155 -13.640 1.00 0.00 N ATOM 707 CA LEU K 5 3.883 2.410 -13.047 1.00 0.00 C ATOM 708 C LEU K 5 3.382 3.599 -13.849 1.00 0.00 C ATOM 709 O LEU K 5 3.651 3.707 -15.046 1.00 0.00 O ATOM 710 CB LEU K 5 5.415 2.396 -13.063 1.00 0.00 C ATOM 711 CG LEU K 5 5.931 1.095 -12.422 1.00 0.00 C ATOM 712 CD1 LEU K 5 7.443 0.989 -12.626 1.00 0.00 C ATOM 713 CD2 LEU K 5 5.633 1.086 -10.916 1.00 0.00 C ATOM 0 H LEU K 5 3.608 1.047 -14.633 1.00 0.00 H new ATOM 0 HA LEU K 5 3.513 2.497 -12.026 1.00 0.00 H new ATOM 0 HB2 LEU K 5 5.778 2.476 -14.088 1.00 0.00 H new ATOM 0 HB3 LEU K 5 5.801 3.258 -12.520 1.00 0.00 H new ATOM 0 HG LEU K 5 5.428 0.251 -12.894 1.00 0.00 H new ATOM 0 HD11 LEU K 5 7.808 0.068 -12.172 1.00 0.00 H new ATOM 0 HD12 LEU K 5 7.667 0.981 -13.693 1.00 0.00 H new ATOM 0 HD13 LEU K 5 7.934 1.843 -12.159 1.00 0.00 H new ATOM 0 HD21 LEU K 5 6.004 0.160 -10.477 1.00 0.00 H new ATOM 0 HD22 LEU K 5 6.126 1.935 -10.442 1.00 0.00 H new ATOM 0 HD23 LEU K 5 4.557 1.157 -10.758 1.00 0.00 H new ATOM 725 N GLN K 6 2.670 4.506 -13.189 1.00 0.00 N ATOM 726 CA GLN K 6 2.158 5.694 -13.860 1.00 0.00 C ATOM 727 C GLN K 6 2.380 6.906 -12.969 1.00 0.00 C ATOM 728 O GLN K 6 1.699 7.079 -11.955 1.00 0.00 O ATOM 729 CB GLN K 6 0.666 5.522 -14.152 1.00 0.00 C ATOM 730 CG GLN K 6 0.179 6.687 -15.014 1.00 0.00 C ATOM 731 CD GLN K 6 -1.327 6.583 -15.242 1.00 0.00 C ATOM 732 OE1 GLN K 6 -2.108 6.572 -14.291 1.00 0.00 O ATOM 733 NE2 GLN K 6 -1.783 6.514 -16.461 1.00 0.00 N ATOM 0 H GLN K 6 2.436 4.442 -12.198 1.00 0.00 H new ATOM 0 HA GLN K 6 2.685 5.838 -14.803 1.00 0.00 H new ATOM 0 HB2 GLN K 6 0.492 4.577 -14.666 1.00 0.00 H new ATOM 0 HB3 GLN K 6 0.104 5.486 -13.219 1.00 0.00 H new ATOM 0 HG2 GLN K 6 0.416 7.633 -14.527 1.00 0.00 H new ATOM 0 HG3 GLN K 6 0.700 6.683 -15.971 1.00 0.00 H new ATOM 0 HE21 GLN K 6 -1.135 6.523 -17.249 1.00 0.00 H new ATOM 0 HE22 GLN K 6 -2.787 6.451 -16.627 1.00 0.00 H new ATOM 742 N ILE K 7 3.349 7.742 -13.345 1.00 0.00 N ATOM 743 CA ILE K 7 3.671 8.935 -12.564 1.00 0.00 C ATOM 744 C ILE K 7 3.141 10.183 -13.266 1.00 0.00 C ATOM 745 O ILE K 7 2.623 11.049 -12.581 1.00 0.00 O ATOM 746 CB ILE K 7 5.194 9.055 -12.392 1.00 0.00 C ATOM 747 CG1 ILE K 7 5.775 7.684 -12.005 1.00 0.00 C ATOM 748 CG2 ILE K 7 5.522 10.107 -11.315 1.00 0.00 C ATOM 749 CD1 ILE K 7 5.067 7.135 -10.765 1.00 0.00 C ATOM 750 OXT ILE K 7 3.264 10.253 -14.478 1.00 0.00 O ATOM 0 H ILE K 7 3.921 7.616 -14.180 1.00 0.00 H new ATOM 0 HA ILE K 7 3.201 8.847 -11.584 1.00 0.00 H new ATOM 0 HB ILE K 7 5.643 9.376 -13.332 1.00 0.00 H new ATOM 0 HG12 ILE K 7 5.662 6.987 -12.835 1.00 0.00 H new ATOM 0 HG13 ILE K 7 6.843 7.777 -11.810 1.00 0.00 H new ATOM 0 HG21 ILE K 7 6.603 10.185 -11.200 1.00 0.00 H new ATOM 0 HG22 ILE K 7 5.118 11.074 -11.616 1.00 0.00 H new ATOM 0 HG23 ILE K 7 5.077 9.807 -10.366 1.00 0.00 H new ATOM 0 HD11 ILE K 7 5.490 6.165 -10.504 1.00 0.00 H new ATOM 0 HD12 ILE K 7 5.203 7.825 -9.933 1.00 0.00 H new ATOM 0 HD13 ILE K 7 4.003 7.023 -10.973 1.00 0.00 H new ATOM 763 N ILE O 1 -4.313 11.410 13.286 1.00 0.00 N ATOM 764 CA ILE O 1 -5.041 10.123 13.476 1.00 0.00 C ATOM 765 C ILE O 1 -4.070 8.963 13.231 1.00 0.00 C ATOM 766 O ILE O 1 -3.463 8.858 12.159 1.00 0.00 O ATOM 767 CB ILE O 1 -6.209 10.048 12.475 1.00 0.00 C ATOM 768 CG1 ILE O 1 -7.128 11.257 12.679 1.00 0.00 C ATOM 769 CG2 ILE O 1 -7.004 8.762 12.712 1.00 0.00 C ATOM 770 CD1 ILE O 1 -8.120 11.340 11.515 1.00 0.00 C ATOM 0 H1 ILE O 1 -4.721 12.135 13.910 1.00 0.00 H new ATOM 0 H2 ILE O 1 -3.308 11.278 13.520 1.00 0.00 H new ATOM 0 H3 ILE O 1 -4.401 11.716 12.296 1.00 0.00 H new ATOM 0 HA ILE O 1 -5.435 10.061 14.491 1.00 0.00 H new ATOM 0 HB ILE O 1 -5.818 10.051 11.458 1.00 0.00 H new ATOM 0 HG12 ILE O 1 -7.664 11.165 13.623 1.00 0.00 H new ATOM 0 HG13 ILE O 1 -6.538 12.172 12.735 1.00 0.00 H new ATOM 0 HG21 ILE O 1 -7.831 8.709 12.003 1.00 0.00 H new ATOM 0 HG22 ILE O 1 -6.351 7.900 12.573 1.00 0.00 H new ATOM 0 HG23 ILE O 1 -7.397 8.759 13.729 1.00 0.00 H new ATOM 0 HD11 ILE O 1 -8.776 12.199 11.656 1.00 0.00 H new ATOM 0 HD12 ILE O 1 -7.574 11.451 10.578 1.00 0.00 H new ATOM 0 HD13 ILE O 1 -8.718 10.429 11.481 1.00 0.00 H new ATOM 784 N HIS O 2 -3.922 8.076 14.217 1.00 0.00 N ATOM 785 CA HIS O 2 -3.043 6.943 14.063 1.00 0.00 C ATOM 786 C HIS O 2 -3.881 5.675 14.028 1.00 0.00 C ATOM 787 O HIS O 2 -4.606 5.380 14.978 1.00 0.00 O ATOM 788 CB HIS O 2 -2.116 6.922 15.297 1.00 0.00 C ATOM 789 CG HIS O 2 -1.408 5.602 15.421 1.00 0.00 C ATOM 790 ND1 HIS O 2 -1.059 5.044 16.657 1.00 0.00 N ATOM 791 CD2 HIS O 2 -0.955 4.730 14.476 1.00 0.00 C ATOM 792 CE1 HIS O 2 -0.426 3.888 16.414 1.00 0.00 C ATOM 793 NE2 HIS O 2 -0.328 3.640 15.108 1.00 0.00 N ATOM 0 H HIS O 2 -4.399 8.129 15.117 1.00 0.00 H new ATOM 0 HA HIS O 2 -2.460 7.008 13.144 1.00 0.00 H new ATOM 0 HB2 HIS O 2 -1.383 7.725 15.219 1.00 0.00 H new ATOM 0 HB3 HIS O 2 -2.700 7.111 16.198 1.00 0.00 H new ATOM 0 HD1 HIS O 2 -1.252 5.444 17.575 1.00 0.00 H new ATOM 0 HD2 HIS O 2 -1.061 4.856 13.409 1.00 0.00 H new ATOM 0 HE1 HIS O 2 -0.041 3.236 17.184 1.00 0.00 H new ATOM 800 N VAL O 3 -3.752 4.905 12.947 1.00 0.00 N ATOM 801 CA VAL O 3 -4.478 3.643 12.829 1.00 0.00 C ATOM 802 C VAL O 3 -3.493 2.486 12.715 1.00 0.00 C ATOM 803 O VAL O 3 -2.669 2.454 11.791 1.00 0.00 O ATOM 804 CB VAL O 3 -5.402 3.690 11.606 1.00 0.00 C ATOM 805 CG1 VAL O 3 -6.423 4.829 11.764 1.00 0.00 C ATOM 806 CG2 VAL O 3 -4.559 3.931 10.355 1.00 0.00 C ATOM 0 H VAL O 3 -3.158 5.131 12.149 1.00 0.00 H new ATOM 0 HA VAL O 3 -5.087 3.491 13.720 1.00 0.00 H new ATOM 0 HB VAL O 3 -5.936 2.744 11.517 1.00 0.00 H new ATOM 0 HG11 VAL O 3 -7.076 4.856 10.891 1.00 0.00 H new ATOM 0 HG12 VAL O 3 -7.021 4.660 12.659 1.00 0.00 H new ATOM 0 HG13 VAL O 3 -5.897 5.779 11.853 1.00 0.00 H new ATOM 0 HG21 VAL O 3 -5.208 3.966 9.480 1.00 0.00 H new ATOM 0 HG22 VAL O 3 -4.028 4.878 10.451 1.00 0.00 H new ATOM 0 HG23 VAL O 3 -3.839 3.121 10.240 1.00 0.00 H new ATOM 816 N HIS O 4 -3.589 1.525 13.630 1.00 0.00 N ATOM 817 CA HIS O 4 -2.734 0.369 13.596 1.00 0.00 C ATOM 818 C HIS O 4 -3.556 -0.898 13.429 1.00 0.00 C ATOM 819 O HIS O 4 -4.532 -1.107 14.149 1.00 0.00 O ATOM 820 CB HIS O 4 -1.887 0.344 14.881 1.00 0.00 C ATOM 821 CG HIS O 4 -0.667 -0.506 14.667 1.00 0.00 C ATOM 822 ND1 HIS O 4 0.645 -0.001 14.663 1.00 0.00 N ATOM 823 CD2 HIS O 4 -0.559 -1.838 14.456 1.00 0.00 C ATOM 824 CE1 HIS O 4 1.467 -1.044 14.454 1.00 0.00 C ATOM 825 NE2 HIS O 4 0.786 -2.188 14.325 1.00 0.00 N ATOM 0 H HIS O 4 -4.256 1.535 14.401 1.00 0.00 H new ATOM 0 HA HIS O 4 -2.063 0.422 12.738 1.00 0.00 H new ATOM 0 HB2 HIS O 4 -1.593 1.357 15.154 1.00 0.00 H new ATOM 0 HB3 HIS O 4 -2.476 -0.050 15.709 1.00 0.00 H new ATOM 0 HD2 HIS O 4 -1.389 -2.527 14.398 1.00 0.00 H new ATOM 0 HE1 HIS O 4 2.543 -0.968 14.397 1.00 0.00 H new ATOM 0 HE2 HIS O 4 1.169 -3.120 14.165 1.00 0.00 H new ATOM 833 N LEU O 5 -3.158 -1.748 12.483 1.00 0.00 N ATOM 834 CA LEU O 5 -3.870 -3.006 12.235 1.00 0.00 C ATOM 835 C LEU O 5 -2.923 -4.192 12.342 1.00 0.00 C ATOM 836 O LEU O 5 -1.918 -4.263 11.630 1.00 0.00 O ATOM 837 CB LEU O 5 -4.500 -2.979 10.842 1.00 0.00 C ATOM 838 CG LEU O 5 -5.153 -4.333 10.537 1.00 0.00 C ATOM 839 CD1 LEU O 5 -6.228 -4.648 11.585 1.00 0.00 C ATOM 840 CD2 LEU O 5 -5.801 -4.262 9.161 1.00 0.00 C ATOM 0 H LEU O 5 -2.352 -1.592 11.878 1.00 0.00 H new ATOM 0 HA LEU O 5 -4.650 -3.114 12.988 1.00 0.00 H new ATOM 0 HB2 LEU O 5 -5.245 -2.185 10.786 1.00 0.00 H new ATOM 0 HB3 LEU O 5 -3.739 -2.756 10.094 1.00 0.00 H new ATOM 0 HG LEU O 5 -4.395 -5.116 10.560 1.00 0.00 H new ATOM 0 HD11 LEU O 5 -6.685 -5.611 11.359 1.00 0.00 H new ATOM 0 HD12 LEU O 5 -5.772 -4.686 12.574 1.00 0.00 H new ATOM 0 HD13 LEU O 5 -6.992 -3.871 11.567 1.00 0.00 H new ATOM 0 HD21 LEU O 5 -6.270 -5.218 8.930 1.00 0.00 H new ATOM 0 HD22 LEU O 5 -6.557 -3.476 9.155 1.00 0.00 H new ATOM 0 HD23 LEU O 5 -5.041 -4.040 8.412 1.00 0.00 H new ATOM 852 N GLN O 6 -3.268 -5.141 13.209 1.00 0.00 N ATOM 853 CA GLN O 6 -2.461 -6.348 13.379 1.00 0.00 C ATOM 854 C GLN O 6 -3.374 -7.568 13.457 1.00 0.00 C ATOM 855 O GLN O 6 -4.102 -7.750 14.432 1.00 0.00 O ATOM 856 CB GLN O 6 -1.623 -6.241 14.654 1.00 0.00 C ATOM 857 CG GLN O 6 -0.708 -7.463 14.774 1.00 0.00 C ATOM 858 CD GLN O 6 0.061 -7.412 16.086 1.00 0.00 C ATOM 859 OE1 GLN O 6 -0.540 -7.412 17.162 1.00 0.00 O ATOM 860 NE2 GLN O 6 1.363 -7.362 16.060 1.00 0.00 N ATOM 0 H GLN O 6 -4.097 -5.099 13.802 1.00 0.00 H new ATOM 0 HA GLN O 6 -1.792 -6.455 12.525 1.00 0.00 H new ATOM 0 HB2 GLN O 6 -1.027 -5.329 14.633 1.00 0.00 H new ATOM 0 HB3 GLN O 6 -2.275 -6.176 15.525 1.00 0.00 H new ATOM 0 HG2 GLN O 6 -1.300 -8.377 14.726 1.00 0.00 H new ATOM 0 HG3 GLN O 6 -0.012 -7.490 13.936 1.00 0.00 H new ATOM 0 HE21 GLN O 6 1.856 -7.362 15.167 1.00 0.00 H new ATOM 0 HE22 GLN O 6 1.889 -7.323 16.933 1.00 0.00 H new ATOM 869 N ILE O 7 -3.321 -8.408 12.424 1.00 0.00 N ATOM 870 CA ILE O 7 -4.144 -9.618 12.379 1.00 0.00 C ATOM 871 C ILE O 7 -3.382 -10.757 11.704 1.00 0.00 C ATOM 872 O ILE O 7 -2.162 -10.705 11.698 1.00 0.00 O ATOM 873 CB ILE O 7 -5.454 -9.331 11.622 1.00 0.00 C ATOM 874 CG1 ILE O 7 -5.139 -8.881 10.193 1.00 0.00 C ATOM 875 CG2 ILE O 7 -6.224 -8.228 12.337 1.00 0.00 C ATOM 876 CD1 ILE O 7 -6.430 -8.732 9.370 1.00 0.00 C ATOM 877 OXT ILE O 7 -4.029 -11.658 11.197 1.00 0.00 O ATOM 0 H ILE O 7 -2.720 -8.275 11.610 1.00 0.00 H new ATOM 0 HA ILE O 7 -4.382 -9.920 13.399 1.00 0.00 H new ATOM 0 HB ILE O 7 -6.056 -10.239 11.592 1.00 0.00 H new ATOM 0 HG12 ILE O 7 -4.605 -7.931 10.215 1.00 0.00 H new ATOM 0 HG13 ILE O 7 -4.480 -9.606 9.716 1.00 0.00 H new ATOM 0 HG21 ILE O 7 -7.151 -8.025 11.801 1.00 0.00 H new ATOM 0 HG22 ILE O 7 -6.455 -8.546 13.354 1.00 0.00 H new ATOM 0 HG23 ILE O 7 -5.618 -7.323 12.369 1.00 0.00 H new ATOM 0 HD11 ILE O 7 -6.182 -8.411 8.358 1.00 0.00 H new ATOM 0 HD12 ILE O 7 -6.949 -9.690 9.330 1.00 0.00 H new ATOM 0 HD13 ILE O 7 -7.076 -7.989 9.838 1.00 0.00 H new ATOM 890 N ILE Q 1 -1.778 11.521 9.284 1.00 0.00 N ATOM 891 CA ILE Q 1 -2.322 10.142 9.426 1.00 0.00 C ATOM 892 C ILE Q 1 -1.225 9.117 9.180 1.00 0.00 C ATOM 893 O ILE Q 1 -0.622 9.059 8.091 1.00 0.00 O ATOM 894 CB ILE Q 1 -3.473 9.931 8.414 1.00 0.00 C ATOM 895 CG1 ILE Q 1 -3.827 8.426 8.281 1.00 0.00 C ATOM 896 CG2 ILE Q 1 -3.041 10.487 7.045 1.00 0.00 C ATOM 897 CD1 ILE Q 1 -4.174 7.832 9.647 1.00 0.00 C ATOM 0 H1 ILE Q 1 -2.559 12.187 9.115 1.00 0.00 H new ATOM 0 H2 ILE Q 1 -1.277 11.788 10.156 1.00 0.00 H new ATOM 0 H3 ILE Q 1 -1.117 11.553 8.482 1.00 0.00 H new ATOM 0 HA ILE Q 1 -2.703 10.013 10.439 1.00 0.00 H new ATOM 0 HB ILE Q 1 -4.359 10.456 8.771 1.00 0.00 H new ATOM 0 HG12 ILE Q 1 -4.670 8.304 7.601 1.00 0.00 H new ATOM 0 HG13 ILE Q 1 -2.986 7.886 7.847 1.00 0.00 H new ATOM 0 HG21 ILE Q 1 -3.845 10.343 6.324 1.00 0.00 H new ATOM 0 HG22 ILE Q 1 -2.822 11.551 7.137 1.00 0.00 H new ATOM 0 HG23 ILE Q 1 -2.149 9.961 6.704 1.00 0.00 H new ATOM 0 HD11 ILE Q 1 -4.419 6.776 9.533 1.00 0.00 H new ATOM 0 HD12 ILE Q 1 -3.320 7.936 10.316 1.00 0.00 H new ATOM 0 HD13 ILE Q 1 -5.030 8.360 10.067 1.00 0.00 H new ATOM 911 N HIS Q 2 -1.016 8.253 10.169 1.00 0.00 N ATOM 912 CA HIS Q 2 -0.051 7.169 10.009 1.00 0.00 C ATOM 913 C HIS Q 2 -0.837 5.870 9.944 1.00 0.00 C ATOM 914 O HIS Q 2 -1.603 5.562 10.864 1.00 0.00 O ATOM 915 CB HIS Q 2 0.920 7.130 11.208 1.00 0.00 C ATOM 916 CG HIS Q 2 2.119 8.007 10.940 1.00 0.00 C ATOM 917 ND1 HIS Q 2 3.407 7.493 10.822 1.00 0.00 N ATOM 918 CD2 HIS Q 2 2.240 9.365 10.775 1.00 0.00 C ATOM 919 CE1 HIS Q 2 4.233 8.531 10.596 1.00 0.00 C ATOM 920 NE2 HIS Q 2 3.574 9.692 10.559 1.00 0.00 N ATOM 0 H HIS Q 2 -1.490 8.279 11.072 1.00 0.00 H new ATOM 0 HA HIS Q 2 0.538 7.317 9.104 1.00 0.00 H new ATOM 0 HB2 HIS Q 2 0.409 7.467 12.110 1.00 0.00 H new ATOM 0 HB3 HIS Q 2 1.244 6.105 11.389 1.00 0.00 H new ATOM 0 HD2 HIS Q 2 1.424 10.071 10.808 1.00 0.00 H new ATOM 0 HE1 HIS Q 2 5.300 8.437 10.461 1.00 0.00 H new ATOM 0 HE2 HIS Q 2 3.966 10.621 10.405 1.00 0.00 H new ATOM 928 N VAL Q 3 -0.637 5.097 8.875 1.00 0.00 N ATOM 929 CA VAL Q 3 -1.332 3.821 8.742 1.00 0.00 C ATOM 930 C VAL Q 3 -0.319 2.701 8.783 1.00 0.00 C ATOM 931 O VAL Q 3 0.609 2.658 7.968 1.00 0.00 O ATOM 932 CB VAL Q 3 -2.095 3.773 7.407 1.00 0.00 C ATOM 933 CG1 VAL Q 3 -2.930 2.484 7.306 1.00 0.00 C ATOM 934 CG2 VAL Q 3 -3.000 5.005 7.281 1.00 0.00 C ATOM 0 H VAL Q 3 -0.011 5.328 8.103 1.00 0.00 H new ATOM 0 HA VAL Q 3 -2.043 3.710 9.561 1.00 0.00 H new ATOM 0 HB VAL Q 3 -1.373 3.776 6.590 1.00 0.00 H new ATOM 0 HG11 VAL Q 3 -3.462 2.469 6.355 1.00 0.00 H new ATOM 0 HG12 VAL Q 3 -2.271 1.618 7.367 1.00 0.00 H new ATOM 0 HG13 VAL Q 3 -3.649 2.451 8.125 1.00 0.00 H new ATOM 0 HG21 VAL Q 3 -3.538 4.966 6.334 1.00 0.00 H new ATOM 0 HG22 VAL Q 3 -3.715 5.017 8.104 1.00 0.00 H new ATOM 0 HG23 VAL Q 3 -2.391 5.909 7.316 1.00 0.00 H new ATOM 944 N HIS Q 4 -0.521 1.762 9.705 1.00 0.00 N ATOM 945 CA HIS Q 4 0.370 0.602 9.810 1.00 0.00 C ATOM 946 C HIS Q 4 -0.466 -0.649 9.564 1.00 0.00 C ATOM 947 O HIS Q 4 -1.525 -0.812 10.173 1.00 0.00 O ATOM 948 CB HIS Q 4 1.040 0.572 11.211 1.00 0.00 C ATOM 949 CG HIS Q 4 1.831 1.861 11.478 1.00 0.00 C ATOM 950 ND1 HIS Q 4 1.893 2.462 12.744 1.00 0.00 N ATOM 951 CD2 HIS Q 4 2.572 2.692 10.652 1.00 0.00 C ATOM 952 CE1 HIS Q 4 2.627 3.584 12.629 1.00 0.00 C ATOM 953 NE2 HIS Q 4 3.063 3.775 11.382 1.00 0.00 N ATOM 0 H HIS Q 4 -1.283 1.777 10.383 1.00 0.00 H new ATOM 0 HA HIS Q 4 1.170 0.656 9.071 1.00 0.00 H new ATOM 0 HB2 HIS Q 4 0.277 0.445 11.979 1.00 0.00 H new ATOM 0 HB3 HIS Q 4 1.707 -0.287 11.279 1.00 0.00 H new ATOM 0 HD1 HIS Q 4 1.460 2.112 13.598 1.00 0.00 H new ATOM 0 HD2 HIS Q 4 2.744 2.526 9.599 1.00 0.00 H new ATOM 0 HE1 HIS Q 4 2.839 4.252 13.450 1.00 0.00 H new ATOM 960 N LEU Q 5 -0.020 -1.519 8.657 1.00 0.00 N ATOM 961 CA LEU Q 5 -0.789 -2.724 8.334 1.00 0.00 C ATOM 962 C LEU Q 5 0.083 -3.967 8.431 1.00 0.00 C ATOM 963 O LEU Q 5 1.097 -4.081 7.735 1.00 0.00 O ATOM 964 CB LEU Q 5 -1.309 -2.596 6.903 1.00 0.00 C ATOM 965 CG LEU Q 5 -1.970 -1.224 6.706 1.00 0.00 C ATOM 966 CD1 LEU Q 5 -2.195 -0.972 5.219 1.00 0.00 C ATOM 967 CD2 LEU Q 5 -3.319 -1.178 7.433 1.00 0.00 C ATOM 0 H LEU Q 5 0.854 -1.417 8.140 1.00 0.00 H new ATOM 0 HA LEU Q 5 -1.612 -2.821 9.043 1.00 0.00 H new ATOM 0 HB2 LEU Q 5 -0.488 -2.718 6.197 1.00 0.00 H new ATOM 0 HB3 LEU Q 5 -2.028 -3.389 6.696 1.00 0.00 H new ATOM 0 HG LEU Q 5 -1.314 -0.456 7.116 1.00 0.00 H new ATOM 0 HD11 LEU Q 5 -2.664 0.002 5.082 1.00 0.00 H new ATOM 0 HD12 LEU Q 5 -1.238 -0.990 4.698 1.00 0.00 H new ATOM 0 HD13 LEU Q 5 -2.844 -1.748 4.813 1.00 0.00 H new ATOM 0 HD21 LEU Q 5 -3.778 -0.200 7.286 1.00 0.00 H new ATOM 0 HD22 LEU Q 5 -3.975 -1.951 7.032 1.00 0.00 H new ATOM 0 HD23 LEU Q 5 -3.164 -1.350 8.498 1.00 0.00 H new ATOM 979 N GLN Q 6 -0.324 -4.912 9.273 1.00 0.00 N ATOM 980 CA GLN Q 6 0.423 -6.153 9.427 1.00 0.00 C ATOM 981 C GLN Q 6 -0.541 -7.331 9.450 1.00 0.00 C ATOM 982 O GLN Q 6 -1.267 -7.532 10.426 1.00 0.00 O ATOM 983 CB GLN Q 6 1.222 -6.109 10.731 1.00 0.00 C ATOM 984 CG GLN Q 6 2.121 -7.341 10.823 1.00 0.00 C ATOM 985 CD GLN Q 6 2.853 -7.355 12.158 1.00 0.00 C ATOM 986 OE1 GLN Q 6 2.224 -7.408 13.216 1.00 0.00 O ATOM 987 NE2 GLN Q 6 4.155 -7.303 12.170 1.00 0.00 N ATOM 0 H GLN Q 6 -1.160 -4.843 9.854 1.00 0.00 H new ATOM 0 HA GLN Q 6 1.110 -6.271 8.589 1.00 0.00 H new ATOM 0 HB2 GLN Q 6 1.826 -5.202 10.769 1.00 0.00 H new ATOM 0 HB3 GLN Q 6 0.544 -6.077 11.584 1.00 0.00 H new ATOM 0 HG2 GLN Q 6 1.523 -8.246 10.718 1.00 0.00 H new ATOM 0 HG3 GLN Q 6 2.841 -7.338 10.005 1.00 0.00 H new ATOM 0 HE21 GLN Q 6 4.672 -7.259 11.292 1.00 0.00 H new ATOM 0 HE22 GLN Q 6 4.657 -7.306 13.058 1.00 0.00 H new ATOM 996 N ILE Q 7 -0.549 -8.110 8.368 1.00 0.00 N ATOM 997 CA ILE Q 7 -1.439 -9.270 8.276 1.00 0.00 C ATOM 998 C ILE Q 7 -0.641 -10.559 8.446 1.00 0.00 C ATOM 999 O ILE Q 7 -1.174 -11.492 9.023 1.00 0.00 O ATOM 1000 CB ILE Q 7 -2.157 -9.284 6.915 1.00 0.00 C ATOM 1001 CG1 ILE Q 7 -2.652 -7.857 6.583 1.00 0.00 C ATOM 1002 CG2 ILE Q 7 -3.337 -10.283 6.944 1.00 0.00 C ATOM 1003 CD1 ILE Q 7 -3.571 -7.333 7.686 1.00 0.00 C ATOM 1004 OXT ILE Q 7 0.493 -10.594 7.995 1.00 0.00 O ATOM 0 H ILE Q 7 0.043 -7.962 7.551 1.00 0.00 H new ATOM 0 HA ILE Q 7 -2.182 -9.200 9.071 1.00 0.00 H new ATOM 0 HB ILE Q 7 -1.462 -9.606 6.139 1.00 0.00 H new ATOM 0 HG12 ILE Q 7 -1.799 -7.189 6.466 1.00 0.00 H new ATOM 0 HG13 ILE Q 7 -3.184 -7.864 5.632 1.00 0.00 H new ATOM 0 HG21 ILE Q 7 -3.837 -10.284 5.975 1.00 0.00 H new ATOM 0 HG22 ILE Q 7 -2.962 -11.283 7.159 1.00 0.00 H new ATOM 0 HG23 ILE Q 7 -4.045 -9.987 7.718 1.00 0.00 H new ATOM 0 HD11 ILE Q 7 -3.908 -6.328 7.432 1.00 0.00 H new ATOM 0 HD12 ILE Q 7 -4.434 -7.991 7.783 1.00 0.00 H new ATOM 0 HD13 ILE Q 7 -3.027 -7.306 8.630 1.00 0.00 H new ATOM 1017 N ILE S 1 1.416 11.606 5.030 1.00 0.00 N ATOM 1018 CA ILE S 1 0.672 10.324 5.207 1.00 0.00 C ATOM 1019 C ILE S 1 1.662 9.161 5.058 1.00 0.00 C ATOM 1020 O ILE S 1 2.312 9.025 4.017 1.00 0.00 O ATOM 1021 CB ILE S 1 -0.408 10.216 4.111 1.00 0.00 C ATOM 1022 CG1 ILE S 1 -1.307 11.468 4.141 1.00 0.00 C ATOM 1023 CG2 ILE S 1 -1.247 8.947 4.336 1.00 0.00 C ATOM 1024 CD1 ILE S 1 -2.222 11.477 2.918 1.00 0.00 C ATOM 0 H1 ILE S 1 0.921 12.368 5.536 1.00 0.00 H new ATOM 0 H2 ILE S 1 2.378 11.505 5.412 1.00 0.00 H new ATOM 0 H3 ILE S 1 1.468 11.840 4.018 1.00 0.00 H new ATOM 0 HA ILE S 1 0.202 10.291 6.190 1.00 0.00 H new ATOM 0 HB ILE S 1 0.070 10.152 3.133 1.00 0.00 H new ATOM 0 HG12 ILE S 1 -1.904 11.477 5.053 1.00 0.00 H new ATOM 0 HG13 ILE S 1 -0.692 12.368 4.153 1.00 0.00 H new ATOM 0 HG21 ILE S 1 -2.009 8.873 3.561 1.00 0.00 H new ATOM 0 HG22 ILE S 1 -0.600 8.071 4.294 1.00 0.00 H new ATOM 0 HG23 ILE S 1 -1.727 8.997 5.313 1.00 0.00 H new ATOM 0 HD11 ILE S 1 -2.855 12.364 2.944 1.00 0.00 H new ATOM 0 HD12 ILE S 1 -1.617 11.489 2.011 1.00 0.00 H new ATOM 0 HD13 ILE S 1 -2.847 10.584 2.925 1.00 0.00 H new ATOM 1038 N HIS S 2 1.781 8.302 6.080 1.00 0.00 N ATOM 1039 CA HIS S 2 2.691 7.172 5.973 1.00 0.00 C ATOM 1040 C HIS S 2 1.881 5.887 5.924 1.00 0.00 C ATOM 1041 O HIS S 2 1.137 5.593 6.855 1.00 0.00 O ATOM 1042 CB HIS S 2 3.585 7.165 7.233 1.00 0.00 C ATOM 1043 CG HIS S 2 4.328 5.858 7.357 1.00 0.00 C ATOM 1044 ND1 HIS S 2 4.647 5.268 8.590 1.00 0.00 N ATOM 1045 CD2 HIS S 2 4.842 5.028 6.404 1.00 0.00 C ATOM 1046 CE1 HIS S 2 5.323 4.140 8.334 1.00 0.00 C ATOM 1047 NE2 HIS S 2 5.476 3.935 7.027 1.00 0.00 N ATOM 0 H HIS S 2 1.272 8.370 6.961 1.00 0.00 H new ATOM 0 HA HIS S 2 3.300 7.249 5.073 1.00 0.00 H new ATOM 0 HB2 HIS S 2 4.296 7.989 7.184 1.00 0.00 H new ATOM 0 HB3 HIS S 2 2.972 7.325 8.120 1.00 0.00 H new ATOM 0 HD1 HIS S 2 4.408 5.632 9.512 1.00 0.00 H new ATOM 0 HD2 HIS S 2 4.774 5.185 5.338 1.00 0.00 H new ATOM 0 HE1 HIS S 2 5.699 3.475 9.097 1.00 0.00 H new ATOM 1054 N VAL S 3 2.061 5.097 4.861 1.00 0.00 N ATOM 1055 CA VAL S 3 1.363 3.816 4.751 1.00 0.00 C ATOM 1056 C VAL S 3 2.369 2.674 4.684 1.00 0.00 C ATOM 1057 O VAL S 3 3.213 2.637 3.779 1.00 0.00 O ATOM 1058 CB VAL S 3 0.465 3.817 3.510 1.00 0.00 C ATOM 1059 CG1 VAL S 3 -0.553 4.956 3.614 1.00 0.00 C ATOM 1060 CG2 VAL S 3 1.323 4.022 2.268 1.00 0.00 C ATOM 0 H VAL S 3 2.674 5.318 4.077 1.00 0.00 H new ATOM 0 HA VAL S 3 0.739 3.673 5.633 1.00 0.00 H new ATOM 0 HB VAL S 3 -0.061 2.865 3.442 1.00 0.00 H new ATOM 0 HG11 VAL S 3 -1.191 4.955 2.730 1.00 0.00 H new ATOM 0 HG12 VAL S 3 -1.166 4.816 4.504 1.00 0.00 H new ATOM 0 HG13 VAL S 3 -0.028 5.909 3.681 1.00 0.00 H new ATOM 0 HG21 VAL S 3 0.687 4.023 1.383 1.00 0.00 H new ATOM 0 HG22 VAL S 3 1.846 4.976 2.340 1.00 0.00 H new ATOM 0 HG23 VAL S 3 2.051 3.214 2.191 1.00 0.00 H new ATOM 1070 N HIS S 4 2.268 1.725 5.615 1.00 0.00 N ATOM 1071 CA HIS S 4 3.145 0.585 5.613 1.00 0.00 C ATOM 1072 C HIS S 4 2.353 -0.705 5.450 1.00 0.00 C ATOM 1073 O HIS S 4 1.376 -0.930 6.168 1.00 0.00 O ATOM 1074 CB HIS S 4 3.964 0.603 6.913 1.00 0.00 C ATOM 1075 CG HIS S 4 5.196 -0.240 6.749 1.00 0.00 C ATOM 1076 ND1 HIS S 4 6.505 0.277 6.747 1.00 0.00 N ATOM 1077 CD2 HIS S 4 5.321 -1.578 6.604 1.00 0.00 C ATOM 1078 CE1 HIS S 4 7.340 -0.765 6.609 1.00 0.00 C ATOM 1079 NE2 HIS S 4 6.672 -1.922 6.522 1.00 0.00 N ATOM 0 H HIS S 4 1.585 1.735 6.373 1.00 0.00 H new ATOM 0 HA HIS S 4 3.828 0.634 4.765 1.00 0.00 H new ATOM 0 HB2 HIS S 4 4.243 1.626 7.164 1.00 0.00 H new ATOM 0 HB3 HIS S 4 3.361 0.226 7.739 1.00 0.00 H new ATOM 0 HD2 HIS S 4 4.499 -2.277 6.558 1.00 0.00 H new ATOM 0 HE1 HIS S 4 8.416 -0.681 6.573 1.00 0.00 H new ATOM 0 HE2 HIS S 4 7.066 -2.857 6.418 1.00 0.00 H new ATOM 1087 N LEU S 5 2.784 -1.557 4.511 1.00 0.00 N ATOM 1088 CA LEU S 5 2.103 -2.836 4.267 1.00 0.00 C ATOM 1089 C LEU S 5 3.060 -4.006 4.425 1.00 0.00 C ATOM 1090 O LEU S 5 4.054 -4.111 3.703 1.00 0.00 O ATOM 1091 CB LEU S 5 1.504 -2.843 2.858 1.00 0.00 C ATOM 1092 CG LEU S 5 0.880 -4.213 2.558 1.00 0.00 C ATOM 1093 CD1 LEU S 5 -0.209 -4.528 3.589 1.00 0.00 C ATOM 1094 CD2 LEU S 5 0.263 -4.180 1.162 1.00 0.00 C ATOM 0 H LEU S 5 3.593 -1.387 3.913 1.00 0.00 H new ATOM 0 HA LEU S 5 1.307 -2.945 5.004 1.00 0.00 H new ATOM 0 HB2 LEU S 5 0.747 -2.063 2.772 1.00 0.00 H new ATOM 0 HB3 LEU S 5 2.278 -2.618 2.124 1.00 0.00 H new ATOM 0 HG LEU S 5 1.650 -4.983 2.608 1.00 0.00 H new ATOM 0 HD11 LEU S 5 -0.647 -5.502 3.370 1.00 0.00 H new ATOM 0 HD12 LEU S 5 0.229 -4.544 4.587 1.00 0.00 H new ATOM 0 HD13 LEU S 5 -0.984 -3.763 3.545 1.00 0.00 H new ATOM 0 HD21 LEU S 5 -0.183 -5.149 0.939 1.00 0.00 H new ATOM 0 HD22 LEU S 5 -0.506 -3.408 1.122 1.00 0.00 H new ATOM 0 HD23 LEU S 5 1.037 -3.959 0.427 1.00 0.00 H new ATOM 1106 N GLN S 6 2.730 -4.910 5.348 1.00 0.00 N ATOM 1107 CA GLN S 6 3.548 -6.102 5.568 1.00 0.00 C ATOM 1108 C GLN S 6 2.655 -7.336 5.643 1.00 0.00 C ATOM 1109 O GLN S 6 1.873 -7.494 6.586 1.00 0.00 O ATOM 1110 CB GLN S 6 4.345 -5.957 6.865 1.00 0.00 C ATOM 1111 CG GLN S 6 5.269 -7.166 7.036 1.00 0.00 C ATOM 1112 CD GLN S 6 6.003 -7.078 8.366 1.00 0.00 C ATOM 1113 OE1 GLN S 6 5.376 -7.058 9.427 1.00 0.00 O ATOM 1114 NE2 GLN S 6 7.306 -7.020 8.367 1.00 0.00 N ATOM 0 H GLN S 6 1.910 -4.841 5.950 1.00 0.00 H new ATOM 0 HA GLN S 6 4.243 -6.214 4.736 1.00 0.00 H new ATOM 0 HB2 GLN S 6 4.931 -5.038 6.843 1.00 0.00 H new ATOM 0 HB3 GLN S 6 3.666 -5.882 7.715 1.00 0.00 H new ATOM 0 HG2 GLN S 6 4.688 -8.087 6.993 1.00 0.00 H new ATOM 0 HG3 GLN S 6 5.987 -7.204 6.217 1.00 0.00 H new ATOM 0 HE21 GLN S 6 7.818 -7.037 7.485 1.00 0.00 H new ATOM 0 HE22 GLN S 6 7.813 -6.958 9.250 1.00 0.00 H new ATOM 1123 N ILE S 7 2.789 -8.215 4.645 1.00 0.00 N ATOM 1124 CA ILE S 7 1.994 -9.444 4.594 1.00 0.00 C ATOM 1125 C ILE S 7 2.809 -10.587 3.991 1.00 0.00 C ATOM 1126 O ILE S 7 4.025 -10.490 3.998 1.00 0.00 O ATOM 1127 CB ILE S 7 0.723 -9.198 3.758 1.00 0.00 C ATOM 1128 CG1 ILE S 7 1.104 -8.833 2.316 1.00 0.00 C ATOM 1129 CG2 ILE S 7 -0.072 -8.044 4.367 1.00 0.00 C ATOM 1130 CD1 ILE S 7 -0.156 -8.708 1.441 1.00 0.00 C ATOM 1131 OXT ILE S 7 2.203 -11.537 3.523 1.00 0.00 O ATOM 0 H ILE S 7 3.437 -8.099 3.866 1.00 0.00 H new ATOM 0 HA ILE S 7 1.711 -9.726 5.608 1.00 0.00 H new ATOM 0 HB ILE S 7 0.121 -10.106 3.756 1.00 0.00 H new ATOM 0 HG12 ILE S 7 1.656 -7.893 2.306 1.00 0.00 H new ATOM 0 HG13 ILE S 7 1.766 -9.595 1.904 1.00 0.00 H new ATOM 0 HG21 ILE S 7 -0.971 -7.870 3.776 1.00 0.00 H new ATOM 0 HG22 ILE S 7 -0.353 -8.296 5.390 1.00 0.00 H new ATOM 0 HG23 ILE S 7 0.540 -7.142 4.371 1.00 0.00 H new ATOM 0 HD11 ILE S 7 0.133 -8.449 0.422 1.00 0.00 H new ATOM 0 HD12 ILE S 7 -0.691 -9.658 1.436 1.00 0.00 H new ATOM 0 HD13 ILE S 7 -0.803 -7.929 1.844 1.00 0.00 H new ATOM 1144 N ILE U 1 3.870 11.649 1.078 1.00 0.00 N ATOM 1145 CA ILE U 1 3.346 10.264 1.232 1.00 0.00 C ATOM 1146 C ILE U 1 4.469 9.257 1.027 1.00 0.00 C ATOM 1147 O ILE U 1 5.061 9.171 -0.060 1.00 0.00 O ATOM 1148 CB ILE U 1 2.224 10.019 0.197 1.00 0.00 C ATOM 1149 CG1 ILE U 1 1.918 8.504 0.058 1.00 0.00 C ATOM 1150 CG2 ILE U 1 2.662 10.585 -1.167 1.00 0.00 C ATOM 1151 CD1 ILE U 1 1.560 7.900 1.414 1.00 0.00 C ATOM 0 H1 ILE U 1 3.089 12.290 0.831 1.00 0.00 H new ATOM 0 H2 ILE U 1 4.302 11.958 1.972 1.00 0.00 H new ATOM 0 H3 ILE U 1 4.585 11.668 0.323 1.00 0.00 H new ATOM 0 HA ILE U 1 2.943 10.142 2.237 1.00 0.00 H new ATOM 0 HB ILE U 1 1.318 10.521 0.538 1.00 0.00 H new ATOM 0 HG12 ILE U 1 1.094 8.357 -0.640 1.00 0.00 H new ATOM 0 HG13 ILE U 1 2.784 7.989 -0.358 1.00 0.00 H new ATOM 0 HG21 ILE U 1 1.875 10.415 -1.901 1.00 0.00 H new ATOM 0 HG22 ILE U 1 2.847 11.655 -1.074 1.00 0.00 H new ATOM 0 HG23 ILE U 1 3.575 10.086 -1.492 1.00 0.00 H new ATOM 0 HD11 ILE U 1 1.349 6.837 1.295 1.00 0.00 H new ATOM 0 HD12 ILE U 1 2.396 8.029 2.102 1.00 0.00 H new ATOM 0 HD13 ILE U 1 0.679 8.402 1.815 1.00 0.00 H new ATOM 1165 N HIS U 2 4.709 8.436 2.048 1.00 0.00 N ATOM 1166 CA HIS U 2 5.705 7.375 1.920 1.00 0.00 C ATOM 1167 C HIS U 2 4.952 6.058 1.865 1.00 0.00 C ATOM 1168 O HIS U 2 4.182 5.748 2.777 1.00 0.00 O ATOM 1169 CB HIS U 2 6.656 7.377 3.135 1.00 0.00 C ATOM 1170 CG HIS U 2 7.844 8.264 2.868 1.00 0.00 C ATOM 1171 ND1 HIS U 2 9.142 7.769 2.788 1.00 0.00 N ATOM 1172 CD2 HIS U 2 7.945 9.617 2.666 1.00 0.00 C ATOM 1173 CE1 HIS U 2 9.954 8.813 2.548 1.00 0.00 C ATOM 1174 NE2 HIS U 2 9.277 9.962 2.465 1.00 0.00 N ATOM 0 H HIS U 2 4.240 8.482 2.953 1.00 0.00 H new ATOM 0 HA HIS U 2 6.306 7.525 1.023 1.00 0.00 H new ATOM 0 HB2 HIS U 2 6.125 7.726 4.021 1.00 0.00 H new ATOM 0 HB3 HIS U 2 6.992 6.361 3.344 1.00 0.00 H new ATOM 0 HD2 HIS U 2 7.116 10.309 2.663 1.00 0.00 H new ATOM 0 HE1 HIS U 2 11.025 8.733 2.436 1.00 0.00 H new ATOM 0 HE2 HIS U 2 9.656 10.893 2.291 1.00 0.00 H new ATOM 1182 N VAL U 3 5.185 5.276 0.810 1.00 0.00 N ATOM 1183 CA VAL U 3 4.520 3.985 0.681 1.00 0.00 C ATOM 1184 C VAL U 3 5.549 2.882 0.753 1.00 0.00 C ATOM 1185 O VAL U 3 6.492 2.844 -0.044 1.00 0.00 O ATOM 1186 CB VAL U 3 3.776 3.907 -0.663 1.00 0.00 C ATOM 1187 CG1 VAL U 3 2.960 2.605 -0.757 1.00 0.00 C ATOM 1188 CG2 VAL U 3 2.855 5.124 -0.824 1.00 0.00 C ATOM 0 H VAL U 3 5.819 5.511 0.046 1.00 0.00 H new ATOM 0 HA VAL U 3 3.801 3.870 1.492 1.00 0.00 H new ATOM 0 HB VAL U 3 4.511 3.909 -1.468 1.00 0.00 H new ATOM 0 HG11 VAL U 3 2.441 2.569 -1.715 1.00 0.00 H new ATOM 0 HG12 VAL U 3 3.630 1.749 -0.675 1.00 0.00 H new ATOM 0 HG13 VAL U 3 2.230 2.574 0.052 1.00 0.00 H new ATOM 0 HG21 VAL U 3 2.332 5.061 -1.778 1.00 0.00 H new ATOM 0 HG22 VAL U 3 2.128 5.140 -0.012 1.00 0.00 H new ATOM 0 HG23 VAL U 3 3.450 6.037 -0.796 1.00 0.00 H new ATOM 1198 N HIS U 4 5.345 1.953 1.685 1.00 0.00 N ATOM 1199 CA HIS U 4 6.250 0.808 1.823 1.00 0.00 C ATOM 1200 C HIS U 4 5.442 -0.461 1.577 1.00 0.00 C ATOM 1201 O HIS U 4 4.378 -0.638 2.174 1.00 0.00 O ATOM 1202 CB HIS U 4 6.891 0.804 3.240 1.00 0.00 C ATOM 1203 CG HIS U 4 7.639 2.116 3.519 1.00 0.00 C ATOM 1204 ND1 HIS U 4 7.645 2.734 4.781 1.00 0.00 N ATOM 1205 CD2 HIS U 4 8.391 2.952 2.710 1.00 0.00 C ATOM 1206 CE1 HIS U 4 8.361 3.868 4.677 1.00 0.00 C ATOM 1207 NE2 HIS U 4 8.834 4.052 3.442 1.00 0.00 N ATOM 0 H HIS U 4 4.571 1.967 2.350 1.00 0.00 H new ATOM 0 HA HIS U 4 7.062 0.868 1.099 1.00 0.00 H new ATOM 0 HB2 HIS U 4 6.115 0.658 3.992 1.00 0.00 H new ATOM 0 HB3 HIS U 4 7.581 -0.036 3.327 1.00 0.00 H new ATOM 0 HD1 HIS U 4 7.189 2.385 5.624 1.00 0.00 H new ATOM 0 HD2 HIS U 4 8.603 2.777 1.666 1.00 0.00 H new ATOM 0 HE1 HIS U 4 8.533 4.550 5.497 1.00 0.00 H new ATOM 1214 N LEU U 5 5.922 -1.335 0.689 1.00 0.00 N ATOM 1215 CA LEU U 5 5.187 -2.561 0.369 1.00 0.00 C ATOM 1216 C LEU U 5 6.084 -3.782 0.511 1.00 0.00 C ATOM 1217 O LEU U 5 7.107 -3.896 -0.172 1.00 0.00 O ATOM 1218 CB LEU U 5 4.699 -2.472 -1.076 1.00 0.00 C ATOM 1219 CG LEU U 5 3.993 -1.127 -1.309 1.00 0.00 C ATOM 1220 CD1 LEU U 5 3.772 -0.915 -2.804 1.00 0.00 C ATOM 1221 CD2 LEU U 5 2.636 -1.111 -0.594 1.00 0.00 C ATOM 0 H LEU U 5 6.802 -1.220 0.186 1.00 0.00 H new ATOM 0 HA LEU U 5 4.348 -2.662 1.058 1.00 0.00 H new ATOM 0 HB2 LEU U 5 5.541 -2.573 -1.760 1.00 0.00 H new ATOM 0 HB3 LEU U 5 4.015 -3.293 -1.289 1.00 0.00 H new ATOM 0 HG LEU U 5 4.620 -0.329 -0.911 1.00 0.00 H new ATOM 0 HD11 LEU U 5 3.271 0.039 -2.966 1.00 0.00 H new ATOM 0 HD12 LEU U 5 4.734 -0.912 -3.317 1.00 0.00 H new ATOM 0 HD13 LEU U 5 3.153 -1.721 -3.198 1.00 0.00 H new ATOM 0 HD21 LEU U 5 2.145 -0.153 -0.766 1.00 0.00 H new ATOM 0 HD22 LEU U 5 2.010 -1.914 -0.983 1.00 0.00 H new ATOM 0 HD23 LEU U 5 2.787 -1.254 0.476 1.00 0.00 H new ATOM 1233 N GLN U 6 5.688 -4.711 1.377 1.00 0.00 N ATOM 1234 CA GLN U 6 6.460 -5.931 1.577 1.00 0.00 C ATOM 1235 C GLN U 6 5.524 -7.130 1.592 1.00 0.00 C ATOM 1236 O GLN U 6 4.772 -7.332 2.548 1.00 0.00 O ATOM 1237 CB GLN U 6 7.217 -5.844 2.904 1.00 0.00 C ATOM 1238 CG GLN U 6 8.148 -7.048 3.043 1.00 0.00 C ATOM 1239 CD GLN U 6 8.843 -7.024 4.400 1.00 0.00 C ATOM 1240 OE1 GLN U 6 8.189 -7.060 5.445 1.00 0.00 O ATOM 1241 NE2 GLN U 6 10.145 -6.961 4.443 1.00 0.00 N ATOM 0 H GLN U 6 4.844 -4.643 1.946 1.00 0.00 H new ATOM 0 HA GLN U 6 7.175 -6.047 0.763 1.00 0.00 H new ATOM 0 HB2 GLN U 6 7.793 -4.919 2.946 1.00 0.00 H new ATOM 0 HB3 GLN U 6 6.512 -5.818 3.735 1.00 0.00 H new ATOM 0 HG2 GLN U 6 7.579 -7.971 2.934 1.00 0.00 H new ATOM 0 HG3 GLN U 6 8.891 -7.036 2.246 1.00 0.00 H new ATOM 0 HE21 GLN U 6 10.683 -6.931 3.577 1.00 0.00 H new ATOM 0 HE22 GLN U 6 10.625 -6.941 5.343 1.00 0.00 H new ATOM 1250 N ILE U 7 5.565 -7.924 0.522 1.00 0.00 N ATOM 1251 CA ILE U 7 4.705 -9.105 0.420 1.00 0.00 C ATOM 1252 C ILE U 7 5.523 -10.373 0.643 1.00 0.00 C ATOM 1253 O ILE U 7 5.010 -11.284 1.271 1.00 0.00 O ATOM 1254 CB ILE U 7 4.040 -9.161 -0.964 1.00 0.00 C ATOM 1255 CG1 ILE U 7 3.512 -7.758 -1.333 1.00 0.00 C ATOM 1256 CG2 ILE U 7 2.895 -10.199 -0.962 1.00 0.00 C ATOM 1257 CD1 ILE U 7 2.556 -7.245 -0.259 1.00 0.00 C ATOM 1258 OXT ILE U 7 6.652 -10.414 0.181 1.00 0.00 O ATOM 0 H ILE U 7 6.178 -7.774 -0.280 1.00 0.00 H new ATOM 0 HA ILE U 7 3.933 -9.036 1.186 1.00 0.00 H new ATOM 0 HB ILE U 7 4.772 -9.469 -1.711 1.00 0.00 H new ATOM 0 HG12 ILE U 7 4.347 -7.067 -1.444 1.00 0.00 H new ATOM 0 HG13 ILE U 7 3.000 -7.797 -2.295 1.00 0.00 H new ATOM 0 HG21 ILE U 7 2.431 -10.230 -1.948 1.00 0.00 H new ATOM 0 HG22 ILE U 7 3.296 -11.183 -0.718 1.00 0.00 H new ATOM 0 HG23 ILE U 7 2.149 -9.917 -0.219 1.00 0.00 H new ATOM 0 HD11 ILE U 7 2.194 -6.255 -0.537 1.00 0.00 H new ATOM 0 HD12 ILE U 7 1.711 -7.928 -0.168 1.00 0.00 H new ATOM 0 HD13 ILE U 7 3.079 -7.186 0.695 1.00 0.00 H new ATOM 1271 N ILE W 1 7.064 11.776 -3.125 1.00 0.00 N ATOM 1272 CA ILE W 1 6.337 10.481 -2.976 1.00 0.00 C ATOM 1273 C ILE W 1 7.349 9.340 -3.083 1.00 0.00 C ATOM 1274 O ILE W 1 8.017 9.197 -4.111 1.00 0.00 O ATOM 1275 CB ILE W 1 5.303 10.350 -4.110 1.00 0.00 C ATOM 1276 CG1 ILE W 1 4.380 11.583 -4.113 1.00 0.00 C ATOM 1277 CG2 ILE W 1 4.478 9.065 -3.915 1.00 0.00 C ATOM 1278 CD1 ILE W 1 3.512 11.580 -5.369 1.00 0.00 C ATOM 0 H1 ILE W 1 6.611 12.499 -2.530 1.00 0.00 H new ATOM 0 H2 ILE W 1 8.054 11.655 -2.829 1.00 0.00 H new ATOM 0 H3 ILE W 1 7.035 12.078 -4.120 1.00 0.00 H new ATOM 0 HA ILE W 1 5.829 10.442 -2.012 1.00 0.00 H new ATOM 0 HB ILE W 1 5.819 10.293 -5.068 1.00 0.00 H new ATOM 0 HG12 ILE W 1 3.749 11.578 -3.224 1.00 0.00 H new ATOM 0 HG13 ILE W 1 4.976 12.495 -4.075 1.00 0.00 H new ATOM 0 HG21 ILE W 1 3.748 8.976 -4.719 1.00 0.00 H new ATOM 0 HG22 ILE W 1 5.142 8.201 -3.930 1.00 0.00 H new ATOM 0 HG23 ILE W 1 3.960 9.107 -2.957 1.00 0.00 H new ATOM 0 HD11 ILE W 1 2.862 12.455 -5.364 1.00 0.00 H new ATOM 0 HD12 ILE W 1 4.150 11.607 -6.252 1.00 0.00 H new ATOM 0 HD13 ILE W 1 2.903 10.676 -5.389 1.00 0.00 H new ATOM 1292 N HIS W 2 7.465 8.509 -2.038 1.00 0.00 N ATOM 1293 CA HIS W 2 8.399 7.395 -2.097 1.00 0.00 C ATOM 1294 C HIS W 2 7.624 6.088 -2.159 1.00 0.00 C ATOM 1295 O HIS W 2 6.861 5.782 -1.250 1.00 0.00 O ATOM 1296 CB HIS W 2 9.246 7.418 -0.802 1.00 0.00 C ATOM 1297 CG HIS W 2 10.034 6.141 -0.672 1.00 0.00 C ATOM 1298 ND1 HIS W 2 10.379 5.558 0.562 1.00 0.00 N ATOM 1299 CD2 HIS W 2 10.568 5.331 -1.627 1.00 0.00 C ATOM 1300 CE1 HIS W 2 11.088 4.450 0.294 1.00 0.00 C ATOM 1301 NE2 HIS W 2 11.237 4.261 -1.021 1.00 0.00 N ATOM 0 H HIS W 2 6.937 8.588 -1.169 1.00 0.00 H new ATOM 0 HA HIS W 2 9.035 7.478 -2.978 1.00 0.00 H new ATOM 0 HB2 HIS W 2 9.923 8.272 -0.817 1.00 0.00 H new ATOM 0 HB3 HIS W 2 8.596 7.542 0.064 1.00 0.00 H new ATOM 0 HD2 HIS W 2 10.488 5.490 -2.692 1.00 0.00 H new ATOM 0 HE1 HIS W 2 11.490 3.791 1.049 1.00 0.00 H new ATOM 0 HE2 HIS W 2 11.733 3.499 -1.484 1.00 0.00 H new ATOM 1308 N VAL W 3 7.860 5.289 -3.206 1.00 0.00 N ATOM 1309 CA VAL W 3 7.205 3.985 -3.318 1.00 0.00 C ATOM 1310 C VAL W 3 8.241 2.873 -3.344 1.00 0.00 C ATOM 1311 O VAL W 3 9.111 2.849 -4.223 1.00 0.00 O ATOM 1312 CB VAL W 3 6.332 3.940 -4.574 1.00 0.00 C ATOM 1313 CG1 VAL W 3 5.277 5.044 -4.499 1.00 0.00 C ATOM 1314 CG2 VAL W 3 7.201 4.156 -5.807 1.00 0.00 C ATOM 0 H VAL W 3 8.489 5.519 -3.975 1.00 0.00 H new ATOM 0 HA VAL W 3 6.566 3.836 -2.447 1.00 0.00 H new ATOM 0 HB VAL W 3 5.842 2.969 -4.640 1.00 0.00 H new ATOM 0 HG11 VAL W 3 4.654 5.013 -5.393 1.00 0.00 H new ATOM 0 HG12 VAL W 3 4.654 4.893 -3.617 1.00 0.00 H new ATOM 0 HG13 VAL W 3 5.770 6.014 -4.433 1.00 0.00 H new ATOM 0 HG21 VAL W 3 6.578 4.124 -6.701 1.00 0.00 H new ATOM 0 HG22 VAL W 3 7.691 5.127 -5.741 1.00 0.00 H new ATOM 0 HG23 VAL W 3 7.956 3.372 -5.862 1.00 0.00 H new ATOM 1324 N HIS W 4 8.138 1.935 -2.402 1.00 0.00 N ATOM 1325 CA HIS W 4 9.045 0.817 -2.359 1.00 0.00 C ATOM 1326 C HIS W 4 8.293 -0.495 -2.533 1.00 0.00 C ATOM 1327 O HIS W 4 7.299 -0.738 -1.841 1.00 0.00 O ATOM 1328 CB HIS W 4 9.814 0.866 -1.028 1.00 0.00 C ATOM 1329 CG HIS W 4 11.065 0.042 -1.132 1.00 0.00 C ATOM 1330 ND1 HIS W 4 12.364 0.569 -1.005 1.00 0.00 N ATOM 1331 CD2 HIS W 4 11.217 -1.287 -1.347 1.00 0.00 C ATOM 1332 CE1 HIS W 4 13.219 -0.459 -1.148 1.00 0.00 C ATOM 1333 NE2 HIS W 4 12.574 -1.613 -1.356 1.00 0.00 N ATOM 0 H HIS W 4 7.433 1.938 -1.665 1.00 0.00 H new ATOM 0 HA HIS W 4 9.757 0.878 -3.182 1.00 0.00 H new ATOM 0 HB2 HIS W 4 10.066 1.897 -0.781 1.00 0.00 H new ATOM 0 HB3 HIS W 4 9.186 0.490 -0.221 1.00 0.00 H new ATOM 0 HD2 HIS W 4 10.409 -1.989 -1.490 1.00 0.00 H new ATOM 0 HE1 HIS W 4 14.294 -0.365 -1.101 1.00 0.00 H new ATOM 0 HE2 HIS W 4 12.987 -2.536 -1.492 1.00 0.00 H new ATOM 1341 N LEU W 5 8.775 -1.348 -3.449 1.00 0.00 N ATOM 1342 CA LEU W 5 8.132 -2.646 -3.696 1.00 0.00 C ATOM 1343 C LEU W 5 9.106 -3.795 -3.491 1.00 0.00 C ATOM 1344 O LEU W 5 10.118 -3.898 -4.189 1.00 0.00 O ATOM 1345 CB LEU W 5 7.573 -2.689 -5.121 1.00 0.00 C ATOM 1346 CG LEU W 5 6.990 -4.079 -5.416 1.00 0.00 C ATOM 1347 CD1 LEU W 5 5.888 -4.409 -4.402 1.00 0.00 C ATOM 1348 CD2 LEU W 5 6.401 -4.077 -6.824 1.00 0.00 C ATOM 0 H LEU W 5 9.597 -1.166 -4.024 1.00 0.00 H new ATOM 0 HA LEU W 5 7.318 -2.759 -2.980 1.00 0.00 H new ATOM 0 HB2 LEU W 5 6.801 -1.929 -5.240 1.00 0.00 H new ATOM 0 HB3 LEU W 5 8.362 -2.457 -5.837 1.00 0.00 H new ATOM 0 HG LEU W 5 7.777 -4.829 -5.341 1.00 0.00 H new ATOM 0 HD11 LEU W 5 5.479 -5.396 -4.617 1.00 0.00 H new ATOM 0 HD12 LEU W 5 6.306 -4.401 -3.395 1.00 0.00 H new ATOM 0 HD13 LEU W 5 5.095 -3.665 -4.472 1.00 0.00 H new ATOM 0 HD21 LEU W 5 5.984 -5.059 -7.045 1.00 0.00 H new ATOM 0 HD22 LEU W 5 5.614 -3.326 -6.888 1.00 0.00 H new ATOM 0 HD23 LEU W 5 7.184 -3.845 -7.546 1.00 0.00 H new ATOM 1360 N GLN W 6 8.772 -4.683 -2.554 1.00 0.00 N ATOM 1361 CA GLN W 6 9.603 -5.855 -2.284 1.00 0.00 C ATOM 1362 C GLN W 6 8.738 -7.109 -2.226 1.00 0.00 C ATOM 1363 O GLN W 6 7.925 -7.273 -1.311 1.00 0.00 O ATOM 1364 CB GLN W 6 10.348 -5.671 -0.962 1.00 0.00 C ATOM 1365 CG GLN W 6 11.272 -6.868 -0.724 1.00 0.00 C ATOM 1366 CD GLN W 6 11.962 -6.739 0.627 1.00 0.00 C ATOM 1367 OE1 GLN W 6 11.302 -6.696 1.667 1.00 0.00 O ATOM 1368 NE2 GLN W 6 13.264 -6.666 0.667 1.00 0.00 N ATOM 0 H GLN W 6 7.937 -4.613 -1.973 1.00 0.00 H new ATOM 0 HA GLN W 6 10.330 -5.967 -3.089 1.00 0.00 H new ATOM 0 HB2 GLN W 6 10.929 -4.749 -0.985 1.00 0.00 H new ATOM 0 HB3 GLN W 6 9.636 -5.579 -0.141 1.00 0.00 H new ATOM 0 HG2 GLN W 6 10.697 -7.793 -0.760 1.00 0.00 H new ATOM 0 HG3 GLN W 6 12.017 -6.925 -1.517 1.00 0.00 H new ATOM 0 HE21 GLN W 6 13.804 -6.702 -0.198 1.00 0.00 H new ATOM 0 HE22 GLN W 6 13.742 -6.573 1.563 1.00 0.00 H new ATOM 1377 N ILE W 7 8.935 -7.999 -3.203 1.00 0.00 N ATOM 1378 CA ILE W 7 8.177 -9.248 -3.268 1.00 0.00 C ATOM 1379 C ILE W 7 9.048 -10.384 -3.801 1.00 0.00 C ATOM 1380 O ILE W 7 10.258 -10.232 -3.791 1.00 0.00 O ATOM 1381 CB ILE W 7 6.945 -9.053 -4.172 1.00 0.00 C ATOM 1382 CG1 ILE W 7 7.386 -8.720 -5.608 1.00 0.00 C ATOM 1383 CG2 ILE W 7 6.093 -7.901 -3.634 1.00 0.00 C ATOM 1384 CD1 ILE W 7 6.166 -8.640 -6.540 1.00 0.00 C ATOM 1385 OXT ILE W 7 8.489 -11.384 -4.223 1.00 0.00 O ATOM 0 H ILE W 7 9.611 -7.877 -3.957 1.00 0.00 H new ATOM 0 HA ILE W 7 7.851 -9.515 -2.263 1.00 0.00 H new ATOM 0 HB ILE W 7 6.365 -9.976 -4.178 1.00 0.00 H new ATOM 0 HG12 ILE W 7 7.923 -7.771 -5.619 1.00 0.00 H new ATOM 0 HG13 ILE W 7 8.077 -9.482 -5.968 1.00 0.00 H new ATOM 0 HG21 ILE W 7 5.221 -7.763 -4.274 1.00 0.00 H new ATOM 0 HG22 ILE W 7 5.766 -8.133 -2.620 1.00 0.00 H new ATOM 0 HG23 ILE W 7 6.684 -6.985 -3.624 1.00 0.00 H new ATOM 0 HD11 ILE W 7 6.496 -8.404 -7.552 1.00 0.00 H new ATOM 0 HD12 ILE W 7 5.646 -9.598 -6.542 1.00 0.00 H new ATOM 0 HD13 ILE W 7 5.489 -7.861 -6.188 1.00 0.00 H new ATOM 1398 N ILE Y 1 9.441 11.835 -7.142 1.00 0.00 N ATOM 1399 CA ILE Y 1 8.966 10.429 -7.000 1.00 0.00 C ATOM 1400 C ILE Y 1 10.143 9.470 -7.111 1.00 0.00 C ATOM 1401 O ILE Y 1 10.776 9.384 -8.163 1.00 0.00 O ATOM 1402 CB ILE Y 1 7.935 10.119 -8.116 1.00 0.00 C ATOM 1403 CG1 ILE Y 1 7.691 8.592 -8.221 1.00 0.00 C ATOM 1404 CG2 ILE Y 1 8.440 10.656 -9.481 1.00 0.00 C ATOM 1405 CD1 ILE Y 1 7.269 8.022 -6.868 1.00 0.00 C ATOM 0 H1 ILE Y 1 8.642 12.447 -7.403 1.00 0.00 H new ATOM 0 H2 ILE Y 1 9.844 12.158 -6.239 1.00 0.00 H new ATOM 0 H3 ILE Y 1 10.170 11.882 -7.883 1.00 0.00 H new ATOM 0 HA ILE Y 1 8.497 10.305 -6.024 1.00 0.00 H new ATOM 0 HB ILE Y 1 6.998 10.613 -7.860 1.00 0.00 H new ATOM 0 HG12 ILE Y 1 6.918 8.392 -8.963 1.00 0.00 H new ATOM 0 HG13 ILE Y 1 8.599 8.096 -8.564 1.00 0.00 H new ATOM 0 HG21 ILE Y 1 7.706 10.431 -10.255 1.00 0.00 H new ATOM 0 HG22 ILE Y 1 8.581 11.735 -9.418 1.00 0.00 H new ATOM 0 HG23 ILE Y 1 9.388 10.180 -9.731 1.00 0.00 H new ATOM 0 HD11 ILE Y 1 7.102 6.949 -6.961 1.00 0.00 H new ATOM 0 HD12 ILE Y 1 8.055 8.205 -6.135 1.00 0.00 H new ATOM 0 HD13 ILE Y 1 6.348 8.505 -6.541 1.00 0.00 H new ATOM 1419 N HIS Y 2 10.386 8.685 -6.056 1.00 0.00 N ATOM 1420 CA HIS Y 2 11.439 7.671 -6.118 1.00 0.00 C ATOM 1421 C HIS Y 2 10.747 6.323 -6.200 1.00 0.00 C ATOM 1422 O HIS Y 2 9.940 5.996 -5.329 1.00 0.00 O ATOM 1423 CB HIS Y 2 12.309 7.714 -4.845 1.00 0.00 C ATOM 1424 CG HIS Y 2 13.496 8.609 -5.054 1.00 0.00 C ATOM 1425 ND1 HIS Y 2 14.802 8.135 -5.000 1.00 0.00 N ATOM 1426 CD2 HIS Y 2 13.592 9.951 -5.312 1.00 0.00 C ATOM 1427 CE1 HIS Y 2 15.616 9.181 -5.222 1.00 0.00 C ATOM 1428 NE2 HIS Y 2 14.931 10.312 -5.418 1.00 0.00 N ATOM 0 H HIS Y 2 9.881 8.730 -5.171 1.00 0.00 H new ATOM 0 HA HIS Y 2 12.085 7.848 -6.978 1.00 0.00 H new ATOM 0 HB2 HIS Y 2 11.717 8.075 -4.004 1.00 0.00 H new ATOM 0 HB3 HIS Y 2 12.644 6.708 -4.591 1.00 0.00 H new ATOM 0 HD2 HIS Y 2 12.755 10.626 -5.417 1.00 0.00 H new ATOM 0 HE1 HIS Y 2 16.694 9.116 -5.240 1.00 0.00 H new ATOM 0 HE2 HIS Y 2 15.309 11.241 -5.605 1.00 0.00 H new ATOM 1436 N VAL Y 3 11.066 5.534 -7.229 1.00 0.00 N ATOM 1437 CA VAL Y 3 10.448 4.218 -7.370 1.00 0.00 C ATOM 1438 C VAL Y 3 11.497 3.139 -7.212 1.00 0.00 C ATOM 1439 O VAL Y 3 12.485 3.113 -7.948 1.00 0.00 O ATOM 1440 CB VAL Y 3 9.792 4.096 -8.759 1.00 0.00 C ATOM 1441 CG1 VAL Y 3 9.015 2.776 -8.868 1.00 0.00 C ATOM 1442 CG2 VAL Y 3 8.848 5.283 -9.002 1.00 0.00 C ATOM 0 H VAL Y 3 11.734 5.778 -7.961 1.00 0.00 H new ATOM 0 HA VAL Y 3 9.687 4.098 -6.599 1.00 0.00 H new ATOM 0 HB VAL Y 3 10.575 4.105 -9.517 1.00 0.00 H new ATOM 0 HG11 VAL Y 3 8.557 2.704 -9.854 1.00 0.00 H new ATOM 0 HG12 VAL Y 3 9.698 1.939 -8.723 1.00 0.00 H new ATOM 0 HG13 VAL Y 3 8.238 2.747 -8.104 1.00 0.00 H new ATOM 0 HG21 VAL Y 3 8.389 5.188 -9.986 1.00 0.00 H new ATOM 0 HG22 VAL Y 3 8.070 5.292 -8.238 1.00 0.00 H new ATOM 0 HG23 VAL Y 3 9.414 6.213 -8.954 1.00 0.00 H new ATOM 1452 N HIS Y 4 11.259 2.212 -6.282 1.00 0.00 N ATOM 1453 CA HIS Y 4 12.182 1.086 -6.080 1.00 0.00 C ATOM 1454 C HIS Y 4 11.416 -0.206 -6.358 1.00 0.00 C ATOM 1455 O HIS Y 4 10.326 -0.406 -5.818 1.00 0.00 O ATOM 1456 CB HIS Y 4 12.751 1.093 -4.636 1.00 0.00 C ATOM 1457 CG HIS Y 4 13.426 2.426 -4.296 1.00 0.00 C ATOM 1458 ND1 HIS Y 4 13.315 3.024 -3.032 1.00 0.00 N ATOM 1459 CD2 HIS Y 4 14.227 3.284 -5.032 1.00 0.00 C ATOM 1460 CE1 HIS Y 4 14.020 4.172 -3.060 1.00 0.00 C ATOM 1461 NE2 HIS Y 4 14.593 4.381 -4.250 1.00 0.00 N ATOM 0 H HIS Y 4 10.448 2.214 -5.663 1.00 0.00 H new ATOM 0 HA HIS Y 4 13.030 1.170 -6.759 1.00 0.00 H new ATOM 0 HB2 HIS Y 4 11.945 0.903 -3.927 1.00 0.00 H new ATOM 0 HB3 HIS Y 4 13.471 0.282 -4.525 1.00 0.00 H new ATOM 0 HD2 HIS Y 4 14.524 3.127 -6.058 1.00 0.00 H new ATOM 0 HE1 HIS Y 4 14.112 4.844 -2.220 1.00 0.00 H new ATOM 0 HE2 HIS Y 4 15.173 5.173 -4.527 1.00 0.00 H new ATOM 1468 N LEU Y 5 11.972 -1.073 -7.204 1.00 0.00 N ATOM 1469 CA LEU Y 5 11.300 -2.328 -7.557 1.00 0.00 C ATOM 1470 C LEU Y 5 12.223 -3.512 -7.314 1.00 0.00 C ATOM 1471 O LEU Y 5 13.308 -3.590 -7.892 1.00 0.00 O ATOM 1472 CB LEU Y 5 10.930 -2.274 -9.042 1.00 0.00 C ATOM 1473 CG LEU Y 5 10.152 -0.980 -9.338 1.00 0.00 C ATOM 1474 CD1 LEU Y 5 9.967 -0.824 -10.848 1.00 0.00 C ATOM 1475 CD2 LEU Y 5 8.770 -1.023 -8.670 1.00 0.00 C ATOM 0 H LEU Y 5 12.876 -0.934 -7.655 1.00 0.00 H new ATOM 0 HA LEU Y 5 10.409 -2.450 -6.941 1.00 0.00 H new ATOM 0 HB2 LEU Y 5 11.832 -2.315 -9.653 1.00 0.00 H new ATOM 0 HB3 LEU Y 5 10.326 -3.141 -9.308 1.00 0.00 H new ATOM 0 HG LEU Y 5 10.718 -0.137 -8.942 1.00 0.00 H new ATOM 0 HD11 LEU Y 5 9.416 0.093 -11.054 1.00 0.00 H new ATOM 0 HD12 LEU Y 5 10.943 -0.777 -11.331 1.00 0.00 H new ATOM 0 HD13 LEU Y 5 9.410 -1.677 -11.236 1.00 0.00 H new ATOM 0 HD21 LEU Y 5 8.231 -0.101 -8.888 1.00 0.00 H new ATOM 0 HD22 LEU Y 5 8.206 -1.872 -9.055 1.00 0.00 H new ATOM 0 HD23 LEU Y 5 8.890 -1.126 -7.592 1.00 0.00 H new ATOM 1487 N GLN Y 6 11.787 -4.447 -6.477 1.00 0.00 N ATOM 1488 CA GLN Y 6 12.586 -5.632 -6.193 1.00 0.00 C ATOM 1489 C GLN Y 6 11.690 -6.861 -6.212 1.00 0.00 C ATOM 1490 O GLN Y 6 10.884 -7.069 -5.303 1.00 0.00 O ATOM 1491 CB GLN Y 6 13.252 -5.491 -4.821 1.00 0.00 C ATOM 1492 CG GLN Y 6 14.241 -6.638 -4.614 1.00 0.00 C ATOM 1493 CD GLN Y 6 14.851 -6.566 -3.218 1.00 0.00 C ATOM 1494 OE1 GLN Y 6 14.137 -6.573 -2.220 1.00 0.00 O ATOM 1495 NE2 GLN Y 6 16.147 -6.510 -3.089 1.00 0.00 N ATOM 0 H GLN Y 6 10.893 -4.408 -5.988 1.00 0.00 H new ATOM 0 HA GLN Y 6 13.361 -5.739 -6.952 1.00 0.00 H new ATOM 0 HB2 GLN Y 6 13.769 -4.534 -4.753 1.00 0.00 H new ATOM 0 HB3 GLN Y 6 12.497 -5.502 -4.035 1.00 0.00 H new ATOM 0 HG2 GLN Y 6 13.733 -7.593 -4.748 1.00 0.00 H new ATOM 0 HG3 GLN Y 6 15.029 -6.588 -5.366 1.00 0.00 H new ATOM 0 HE21 GLN Y 6 16.742 -6.504 -3.917 1.00 0.00 H new ATOM 0 HE22 GLN Y 6 16.566 -6.472 -2.160 1.00 0.00 H new ATOM 1504 N ILE Y 7 11.822 -7.668 -7.264 1.00 0.00 N ATOM 1505 CA ILE Y 7 11.007 -8.874 -7.408 1.00 0.00 C ATOM 1506 C ILE Y 7 11.842 -10.114 -7.104 1.00 0.00 C ATOM 1507 O ILE Y 7 11.325 -11.006 -6.451 1.00 0.00 O ATOM 1508 CB ILE Y 7 10.458 -8.969 -8.839 1.00 0.00 C ATOM 1509 CG1 ILE Y 7 9.899 -7.602 -9.262 1.00 0.00 C ATOM 1510 CG2 ILE Y 7 9.362 -10.051 -8.913 1.00 0.00 C ATOM 1511 CD1 ILE Y 7 8.874 -7.104 -8.241 1.00 0.00 C ATOM 1512 OXT ILE Y 7 12.983 -10.154 -7.532 1.00 0.00 O ATOM 0 H ILE Y 7 12.482 -7.510 -8.026 1.00 0.00 H new ATOM 0 HA ILE Y 7 10.177 -8.818 -6.704 1.00 0.00 H new ATOM 0 HB ILE Y 7 11.261 -9.249 -9.521 1.00 0.00 H new ATOM 0 HG12 ILE Y 7 10.712 -6.882 -9.351 1.00 0.00 H new ATOM 0 HG13 ILE Y 7 9.434 -7.681 -10.245 1.00 0.00 H new ATOM 0 HG21 ILE Y 7 8.978 -10.111 -9.932 1.00 0.00 H new ATOM 0 HG22 ILE Y 7 9.782 -11.015 -8.626 1.00 0.00 H new ATOM 0 HG23 ILE Y 7 8.549 -9.793 -8.234 1.00 0.00 H new ATOM 0 HD11 ILE Y 7 8.488 -6.135 -8.556 1.00 0.00 H new ATOM 0 HD12 ILE Y 7 8.052 -7.817 -8.173 1.00 0.00 H new ATOM 0 HD13 ILE Y 7 9.350 -7.005 -7.266 1.00 0.00 H new