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= -0.659 X(o=-4.7,f=-4.8) USER MOD Set 1.2: O 4 HIS : no HD1:sc= -0.457 K(o=-4.7,f=-5.8) USER MOD Set 1.3: Q 2 HIS : no HD1:sc= -1.96 K(o=-4.7,f=-6.1!) USER MOD Set 1.4: Q 4 HIS : no HE2:sc= 0 K(o=-4.7,f=-5.5) USER MOD Set 1.5: S 2 HIS : no HE2:sc= -0.173 K(o=-4.7,f=-7.2) USER MOD Set 1.6: S 4 HIS : no HD1:sc= -0.0307 X(o=-4.7,f=-4.9) USER MOD Set 1.7: U 2 HIS : no HD1:sc= -1.78 K(o=-4.7,f=-5.9!) USER MOD Set 1.8: U 4 HIS : no HE2:sc= 0 X(o=-4.7,f=-5.1) USER MOD Set 1.9: W 2 HIS : +bothHN:sc= 0.0104 K(o=-4.7,f=-11) USER MOD Set 1.10: W 4 HIS : no HD1:sc= -0.0807 X(o=-4.7,f=-4.7) USER MOD Set 1.11: Y 2 HIS : no HD1:sc= 0 X(o=-4.7,f=-5) USER MOD Set 1.12: Y 4 HIS : no HD1:sc= 0.382 K(o=-4.7,f=-7.3) USER MOD Set 2.1: O 6 GLN : amide:sc= 1.19 K(o=3.1,f=0.66) USER MOD Set 2.2: Q 6 GLN : amide:sc= 1.4 K(o=3.1,f=-3!) USER MOD Set 2.3: S 6 GLN : amide:sc= 0.16 K(o=3.1,f=-7.5!) USER MOD Set 2.4: U 6 GLN : amide:sc= 0.828 K(o=3.1,f=-6.9!) USER MOD Set 2.5: W 6 GLN : amide:sc= -0.194 K(o=3.1,f=-7.5!) USER MOD Set 2.6: Y 6 GLN : amide:sc= -0.251 K(o=3.1,f=-8.3!) USER MOD Set 3.1: A 6 GLN : amide:sc= 1.06 K(o=2.9,f=0.74) USER MOD Set 3.2: C 6 GLN : amide:sc= 1.24 K(o=2.9,f=-2.3!) USER MOD Set 3.3: E 6 GLN : amide:sc= 0.0114 K(o=2.9,f=-6.5!) USER MOD Set 3.4: G 6 GLN : amide:sc= 0.691 K(o=2.9,f=-5.2!) USER MOD Set 3.5: I 6 GLN : amide:sc= -0.195 K(o=2.9,f=-7.2!) USER MOD Set 3.6: K 6 GLN : amide:sc= 0.119 K(o=2.9,f=-7.5!) USER MOD Set 4.1: A 2 HIS : no HE2:sc= -0.545 X(o=-4.9,f=-5.1) USER MOD Set 4.2: A 4 HIS : no HD1:sc= -0.67 K(o=-4.9,f=-6) USER MOD Set 4.3: C 2 HIS : no HD1:sc= -2.01 K(o=-4.9,f=-7.6!) USER MOD Set 4.4: C 4 HIS : no HE2:sc= 0.0314 K(o=-4.9,f=-5.8) USER MOD Set 4.5: E 2 HIS : no HE2:sc= 0.0182 K(o=-4.9,f=-9.3!) USER MOD Set 4.6: E 4 HIS : no HD1:sc= -0.0289 X(o=-4.9,f=-5.1) USER MOD Set 4.7: G 2 HIS : no HD1:sc= -1.53 K(o=-4.9,f=-6.9!) USER MOD Set 4.8: G 4 HIS : no HE2:sc= 0 K(o=-4.9,f=-5.6) USER MOD Set 4.9: I 2 HIS : no HE2:sc= -0.179 K(o=-4.9,f=-8.4) USER MOD Set 4.10: I 4 HIS : no HD1:sc= -0.0269 X(o=-4.9,f=-4.9) USER MOD Set 4.11: K 2 HIS : no HD1:sc= 0 X(o=-4.9,f=-4.9) USER MOD Set 4.12: K 4 HIS : no HD1:sc= 0 X(o=-4.9,f=-5) USER MOD Single : A 1 ILE N :NH3+ -152:sc= -0.127 (180deg=-0.765) USER MOD Single : C 1 ILE N :NH3+ -136:sc= -0.286 (180deg=-1.19) USER MOD Single : E 1 ILE N :NH3+ -153:sc= -0.14 (180deg=-0.819) USER MOD Single : G 1 ILE N :NH3+ -135:sc= -0.323 (180deg=-1.25!) USER MOD Single : I 1 ILE N :NH3+ -155:sc= -0.11 (180deg=-0.804) USER MOD Single : K 1 ILE N :NH3+ -151:sc= -0.199 (180deg=-1.05!) USER MOD Single : O 1 ILE N :NH3+ -126:sc= -0.0873 (180deg=-0.791) USER MOD Single : Q 1 ILE N :NH3+ -149:sc= -0.206 (180deg=-1.24!) USER MOD Single : S 1 ILE N :NH3+ -156:sc= -0.0789 (180deg=-0.774) USER MOD Single : U 1 ILE N :NH3+ -152:sc= -0.261 (180deg=-1.29!) USER MOD Single : W 1 ILE N :NH3+ -128:sc= -0.112 (180deg=-0.836) USER MOD Single : Y 1 ILE N :NH3+ -152:sc= -0.253 (180deg=-1.19!) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 -11.165 -11.625 7.296 1.00 0.00 N ATOM 2 CA ILE A 1 -11.399 -10.365 8.063 1.00 0.00 C ATOM 3 C ILE A 1 -11.418 -9.180 7.102 1.00 0.00 C ATOM 4 O ILE A 1 -10.520 -9.022 6.270 1.00 0.00 O ATOM 5 CB ILE A 1 -10.284 -10.187 9.109 1.00 0.00 C ATOM 6 CG1 ILE A 1 -10.416 -11.290 10.167 1.00 0.00 C ATOM 7 CG2 ILE A 1 -10.422 -8.822 9.779 1.00 0.00 C ATOM 8 CD1 ILE A 1 -9.172 -11.317 11.059 1.00 0.00 C ATOM 0 H1 ILE A 1 -11.601 -12.424 7.799 1.00 0.00 H new ATOM 0 H2 ILE A 1 -11.588 -11.539 6.350 1.00 0.00 H new ATOM 0 H3 ILE A 1 -10.142 -11.791 7.204 1.00 0.00 H new ATOM 0 HA ILE A 1 -12.359 -10.419 8.576 1.00 0.00 H new ATOM 0 HB ILE A 1 -9.310 -10.251 8.624 1.00 0.00 H new ATOM 0 HG12 ILE A 1 -11.304 -11.117 10.774 1.00 0.00 H new ATOM 0 HG13 ILE A 1 -10.545 -12.257 9.681 1.00 0.00 H new ATOM 0 HG21 ILE A 1 -9.631 -8.698 10.519 1.00 0.00 H new ATOM 0 HG22 ILE A 1 -10.341 -8.038 9.027 1.00 0.00 H new ATOM 0 HG23 ILE A 1 -11.393 -8.754 10.270 1.00 0.00 H new ATOM 0 HD11 ILE A 1 -9.277 -12.104 11.806 1.00 0.00 H new ATOM 0 HD12 ILE A 1 -8.290 -11.512 10.448 1.00 0.00 H new ATOM 0 HD13 ILE A 1 -9.062 -10.355 11.559 1.00 0.00 H new ATOM 22 N HIS A 2 -12.443 -8.335 7.219 1.00 0.00 N ATOM 23 CA HIS A 2 -12.549 -7.177 6.371 1.00 0.00 C ATOM 24 C HIS A 2 -12.379 -5.927 7.222 1.00 0.00 C ATOM 25 O HIS A 2 -13.138 -5.706 8.165 1.00 0.00 O ATOM 26 CB HIS A 2 -13.966 -7.220 5.761 1.00 0.00 C ATOM 27 CG HIS A 2 -14.358 -5.892 5.183 1.00 0.00 C ATOM 28 ND1 HIS A 2 -15.685 -5.454 5.136 1.00 0.00 N ATOM 29 CD2 HIS A 2 -13.618 -4.918 4.587 1.00 0.00 C ATOM 30 CE1 HIS A 2 -15.693 -4.262 4.524 1.00 0.00 C ATOM 31 NE2 HIS A 2 -14.466 -3.882 4.165 1.00 0.00 N ATOM 0 H HIS A 2 -13.201 -8.441 7.893 1.00 0.00 H new ATOM 0 HA HIS A 2 -11.789 -7.166 5.590 1.00 0.00 H new ATOM 0 HB2 HIS A 2 -14.005 -7.982 4.983 1.00 0.00 H new ATOM 0 HB3 HIS A 2 -14.684 -7.510 6.528 1.00 0.00 H new ATOM 0 HD1 HIS A 2 -16.498 -5.951 5.501 1.00 0.00 H new ATOM 0 HD2 HIS A 2 -12.546 -4.939 4.459 1.00 0.00 H new ATOM 0 HE1 HIS A 2 -16.585 -3.680 4.343 1.00 0.00 H new ATOM 38 N VAL A 3 -11.397 -5.096 6.870 1.00 0.00 N ATOM 39 CA VAL A 3 -11.159 -3.852 7.600 1.00 0.00 C ATOM 40 C VAL A 3 -11.335 -2.655 6.681 1.00 0.00 C ATOM 41 O VAL A 3 -10.646 -2.553 5.666 1.00 0.00 O ATOM 42 CB VAL A 3 -9.744 -3.854 8.164 1.00 0.00 C ATOM 43 CG1 VAL A 3 -9.504 -2.568 8.964 1.00 0.00 C ATOM 44 CG2 VAL A 3 -9.557 -5.077 9.070 1.00 0.00 C ATOM 0 H VAL A 3 -10.759 -5.260 6.091 1.00 0.00 H new ATOM 0 HA VAL A 3 -11.880 -3.781 8.414 1.00 0.00 H new ATOM 0 HB VAL A 3 -9.026 -3.901 7.345 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -8.491 -2.573 9.366 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -9.631 -1.704 8.311 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -10.219 -2.511 9.784 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -8.545 -5.079 9.474 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -10.275 -5.036 9.889 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -9.719 -5.987 8.491 1.00 0.00 H new ATOM 54 N HIS A 4 -12.232 -1.733 7.038 1.00 0.00 N ATOM 55 CA HIS A 4 -12.449 -0.541 6.252 1.00 0.00 C ATOM 56 C HIS A 4 -12.124 0.724 7.049 1.00 0.00 C ATOM 57 O HIS A 4 -12.572 0.880 8.187 1.00 0.00 O ATOM 58 CB HIS A 4 -13.906 -0.553 5.754 1.00 0.00 C ATOM 59 CG HIS A 4 -14.028 0.270 4.501 1.00 0.00 C ATOM 60 ND1 HIS A 4 -14.346 -0.265 3.238 1.00 0.00 N ATOM 61 CD2 HIS A 4 -13.880 1.601 4.317 1.00 0.00 C ATOM 62 CE1 HIS A 4 -14.373 0.758 2.371 1.00 0.00 C ATOM 63 NE2 HIS A 4 -14.101 1.921 2.974 1.00 0.00 N ATOM 0 H HIS A 4 -12.816 -1.800 7.871 1.00 0.00 H new ATOM 0 HA HIS A 4 -11.775 -0.534 5.395 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -14.224 -1.577 5.559 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -14.566 -0.156 6.525 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -13.629 2.311 5.091 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -14.588 0.656 1.317 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -14.063 2.845 2.545 1.00 0.00 H new ATOM 71 N LEU A 5 -11.344 1.628 6.447 1.00 0.00 N ATOM 72 CA LEU A 5 -10.959 2.887 7.104 1.00 0.00 C ATOM 73 C LEU A 5 -11.223 4.076 6.190 1.00 0.00 C ATOM 74 O LEU A 5 -10.756 4.113 5.052 1.00 0.00 O ATOM 75 CB LEU A 5 -9.471 2.820 7.447 1.00 0.00 C ATOM 76 CG LEU A 5 -9.256 1.905 8.663 1.00 0.00 C ATOM 77 CD1 LEU A 5 -7.810 1.422 8.673 1.00 0.00 C ATOM 78 CD2 LEU A 5 -9.505 2.681 9.966 1.00 0.00 C ATOM 0 H LEU A 5 -10.966 1.514 5.507 1.00 0.00 H new ATOM 0 HA LEU A 5 -11.552 3.018 8.009 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -8.909 2.443 6.593 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -9.093 3.820 7.661 1.00 0.00 H new ATOM 0 HG LEU A 5 -9.948 1.066 8.595 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -7.649 0.772 9.533 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -7.605 0.869 7.757 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -7.140 2.280 8.736 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -9.349 2.020 10.819 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -8.813 3.521 10.027 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -10.530 3.053 9.978 1.00 0.00 H new ATOM 90 N GLN A 6 -11.946 5.061 6.711 1.00 0.00 N ATOM 91 CA GLN A 6 -12.242 6.275 5.954 1.00 0.00 C ATOM 92 C GLN A 6 -11.905 7.479 6.822 1.00 0.00 C ATOM 93 O GLN A 6 -12.616 7.783 7.780 1.00 0.00 O ATOM 94 CB GLN A 6 -13.720 6.297 5.561 1.00 0.00 C ATOM 95 CG GLN A 6 -13.972 7.476 4.626 1.00 0.00 C ATOM 96 CD GLN A 6 -15.455 7.575 4.296 1.00 0.00 C ATOM 97 OE1 GLN A 6 -16.298 7.547 5.193 1.00 0.00 O ATOM 98 NE2 GLN A 6 -15.823 7.677 3.050 1.00 0.00 N ATOM 0 H GLN A 6 -12.338 5.044 7.653 1.00 0.00 H new ATOM 0 HA GLN A 6 -11.647 6.303 5.041 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -13.992 5.363 5.070 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -14.344 6.383 6.451 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -13.633 8.400 5.094 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -13.395 7.353 3.709 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -15.120 7.700 2.311 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -16.814 7.734 2.814 1.00 0.00 H new ATOM 107 N ILE A 7 -10.804 8.154 6.489 1.00 0.00 N ATOM 108 CA ILE A 7 -10.358 9.319 7.261 1.00 0.00 C ATOM 109 C ILE A 7 -10.101 10.493 6.323 1.00 0.00 C ATOM 110 O ILE A 7 -8.968 10.649 5.897 1.00 0.00 O ATOM 111 CB ILE A 7 -9.065 8.979 8.023 1.00 0.00 C ATOM 112 CG1 ILE A 7 -9.273 7.708 8.843 1.00 0.00 C ATOM 113 CG2 ILE A 7 -8.712 10.118 8.973 1.00 0.00 C ATOM 114 CD1 ILE A 7 -7.931 7.245 9.413 1.00 0.00 C ATOM 115 OXT ILE A 7 -11.042 11.215 6.038 1.00 0.00 O ATOM 0 H ILE A 7 -10.207 7.918 5.696 1.00 0.00 H new ATOM 0 HA ILE A 7 -11.136 9.590 7.975 1.00 0.00 H new ATOM 0 HB ILE A 7 -8.259 8.832 7.304 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -9.979 7.896 9.652 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -9.705 6.926 8.218 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -7.796 9.873 9.510 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -8.564 11.035 8.403 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -9.524 10.262 9.686 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -8.078 6.338 9.999 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -7.239 7.041 8.596 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -7.518 8.026 10.051 1.00 0.00 H new ATOM 128 N ILE C 1 -8.003 -11.595 3.749 1.00 0.00 N ATOM 129 CA ILE C 1 -8.197 -10.300 4.459 1.00 0.00 C ATOM 130 C ILE C 1 -8.316 -9.183 3.427 1.00 0.00 C ATOM 131 O ILE C 1 -7.422 -9.002 2.592 1.00 0.00 O ATOM 132 CB ILE C 1 -6.989 -10.028 5.377 1.00 0.00 C ATOM 133 CG1 ILE C 1 -6.865 -11.168 6.389 1.00 0.00 C ATOM 134 CG2 ILE C 1 -7.197 -8.710 6.125 1.00 0.00 C ATOM 135 CD1 ILE C 1 -5.520 -11.073 7.108 1.00 0.00 C ATOM 0 H1 ILE C 1 -8.606 -12.323 4.183 1.00 0.00 H new ATOM 0 H2 ILE C 1 -8.261 -11.484 2.748 1.00 0.00 H new ATOM 0 H3 ILE C 1 -7.006 -11.884 3.820 1.00 0.00 H new ATOM 0 HA ILE C 1 -9.103 -10.343 5.063 1.00 0.00 H new ATOM 0 HB ILE C 1 -6.082 -9.963 4.776 1.00 0.00 H new ATOM 0 HG12 ILE C 1 -7.679 -11.116 7.112 1.00 0.00 H new ATOM 0 HG13 ILE C 1 -6.950 -12.129 5.881 1.00 0.00 H new ATOM 0 HG21 ILE C 1 -6.341 -8.521 6.773 1.00 0.00 H new ATOM 0 HG22 ILE C 1 -7.296 -7.896 5.407 1.00 0.00 H new ATOM 0 HG23 ILE C 1 -8.102 -8.773 6.729 1.00 0.00 H new ATOM 0 HD11 ILE C 1 -5.434 -11.886 7.828 1.00 0.00 H new ATOM 0 HD12 ILE C 1 -4.712 -11.147 6.380 1.00 0.00 H new ATOM 0 HD13 ILE C 1 -5.453 -10.118 7.629 1.00 0.00 H new ATOM 149 N HIS C 2 -9.404 -8.413 3.485 1.00 0.00 N ATOM 150 CA HIS C 2 -9.557 -7.292 2.551 1.00 0.00 C ATOM 151 C HIS C 2 -9.442 -6.002 3.347 1.00 0.00 C ATOM 152 O HIS C 2 -10.217 -5.777 4.278 1.00 0.00 O ATOM 153 CB HIS C 2 -10.942 -7.361 1.866 1.00 0.00 C ATOM 154 CG HIS C 2 -10.864 -8.169 0.594 1.00 0.00 C ATOM 155 ND1 HIS C 2 -11.183 -7.631 -0.645 1.00 0.00 N ATOM 156 CD2 HIS C 2 -10.515 -9.475 0.355 1.00 0.00 C ATOM 157 CE1 HIS C 2 -11.022 -8.600 -1.562 1.00 0.00 C ATOM 158 NE2 HIS C 2 -10.616 -9.745 -1.007 1.00 0.00 N ATOM 0 H HIS C 2 -10.171 -8.537 4.146 1.00 0.00 H new ATOM 0 HA HIS C 2 -8.788 -7.335 1.780 1.00 0.00 H new ATOM 0 HB2 HIS C 2 -11.668 -7.809 2.545 1.00 0.00 H new ATOM 0 HB3 HIS C 2 -11.294 -6.354 1.643 1.00 0.00 H new ATOM 0 HD2 HIS C 2 -10.209 -10.185 1.109 1.00 0.00 H new ATOM 0 HE1 HIS C 2 -11.199 -8.469 -2.619 1.00 0.00 H new ATOM 0 HE2 HIS C 2 -10.422 -10.628 -1.480 1.00 0.00 H new ATOM 166 N VAL C 3 -8.497 -5.141 2.969 1.00 0.00 N ATOM 167 CA VAL C 3 -8.335 -3.861 3.654 1.00 0.00 C ATOM 168 C VAL C 3 -8.617 -2.725 2.677 1.00 0.00 C ATOM 169 O VAL C 3 -7.989 -2.650 1.617 1.00 0.00 O ATOM 170 CB VAL C 3 -6.915 -3.740 4.211 1.00 0.00 C ATOM 171 CG1 VAL C 3 -6.824 -2.508 5.121 1.00 0.00 C ATOM 172 CG2 VAL C 3 -6.564 -5.003 5.006 1.00 0.00 C ATOM 0 H VAL C 3 -7.842 -5.303 2.204 1.00 0.00 H new ATOM 0 HA VAL C 3 -9.039 -3.803 4.484 1.00 0.00 H new ATOM 0 HB VAL C 3 -6.210 -3.630 3.387 1.00 0.00 H new ATOM 0 HG11 VAL C 3 -5.812 -2.422 5.517 1.00 0.00 H new ATOM 0 HG12 VAL C 3 -7.066 -1.613 4.547 1.00 0.00 H new ATOM 0 HG13 VAL C 3 -7.529 -2.612 5.946 1.00 0.00 H new ATOM 0 HG21 VAL C 3 -5.552 -4.914 5.402 1.00 0.00 H new ATOM 0 HG22 VAL C 3 -7.267 -5.121 5.831 1.00 0.00 H new ATOM 0 HG23 VAL C 3 -6.623 -5.873 4.352 1.00 0.00 H new ATOM 182 N HIS C 4 -9.530 -1.830 3.039 1.00 0.00 N ATOM 183 CA HIS C 4 -9.843 -0.679 2.183 1.00 0.00 C ATOM 184 C HIS C 4 -9.507 0.605 2.944 1.00 0.00 C ATOM 185 O HIS C 4 -9.937 0.770 4.087 1.00 0.00 O ATOM 186 CB HIS C 4 -11.348 -0.703 1.796 1.00 0.00 C ATOM 187 CG HIS C 4 -11.760 -2.040 1.162 1.00 0.00 C ATOM 188 ND1 HIS C 4 -12.964 -2.687 1.484 1.00 0.00 N ATOM 189 CD2 HIS C 4 -11.156 -2.855 0.221 1.00 0.00 C ATOM 190 CE1 HIS C 4 -13.028 -3.820 0.759 1.00 0.00 C ATOM 191 NE2 HIS C 4 -11.957 -3.973 -0.026 1.00 0.00 N ATOM 0 H HIS C 4 -10.063 -1.873 3.907 1.00 0.00 H new ATOM 0 HA HIS C 4 -9.253 -0.723 1.267 1.00 0.00 H new ATOM 0 HB2 HIS C 4 -11.953 -0.522 2.684 1.00 0.00 H new ATOM 0 HB3 HIS C 4 -11.555 0.108 1.098 1.00 0.00 H new ATOM 0 HD1 HIS C 4 -13.665 -2.358 2.148 1.00 0.00 H new ATOM 0 HD2 HIS C 4 -10.206 -2.656 -0.253 1.00 0.00 H new ATOM 0 HE1 HIS C 4 -13.848 -4.522 0.806 1.00 0.00 H new ATOM 198 N LEU C 5 -8.739 1.515 2.327 1.00 0.00 N ATOM 199 CA LEU C 5 -8.368 2.771 2.997 1.00 0.00 C ATOM 200 C LEU C 5 -8.578 3.982 2.096 1.00 0.00 C ATOM 201 O LEU C 5 -7.962 4.099 1.027 1.00 0.00 O ATOM 202 CB LEU C 5 -6.904 2.711 3.407 1.00 0.00 C ATOM 203 CG LEU C 5 -6.606 1.379 4.144 1.00 0.00 C ATOM 204 CD1 LEU C 5 -6.077 0.317 3.162 1.00 0.00 C ATOM 205 CD2 LEU C 5 -5.556 1.605 5.239 1.00 0.00 C ATOM 0 H LEU C 5 -8.368 1.409 1.383 1.00 0.00 H new ATOM 0 HA LEU C 5 -9.011 2.882 3.870 1.00 0.00 H new ATOM 0 HB2 LEU C 5 -6.269 2.797 2.526 1.00 0.00 H new ATOM 0 HB3 LEU C 5 -6.666 3.554 4.055 1.00 0.00 H new ATOM 0 HG LEU C 5 -7.537 1.027 4.588 1.00 0.00 H new ATOM 0 HD11 LEU C 5 -5.875 -0.609 3.701 1.00 0.00 H new ATOM 0 HD12 LEU C 5 -6.824 0.132 2.390 1.00 0.00 H new ATOM 0 HD13 LEU C 5 -5.158 0.675 2.699 1.00 0.00 H new ATOM 0 HD21 LEU C 5 -5.355 0.663 5.750 1.00 0.00 H new ATOM 0 HD22 LEU C 5 -4.636 1.978 4.789 1.00 0.00 H new ATOM 0 HD23 LEU C 5 -5.930 2.334 5.957 1.00 0.00 H new ATOM 217 N GLN C 6 -9.413 4.907 2.563 1.00 0.00 N ATOM 218 CA GLN C 6 -9.677 6.140 1.831 1.00 0.00 C ATOM 219 C GLN C 6 -9.325 7.325 2.708 1.00 0.00 C ATOM 220 O GLN C 6 -10.036 7.639 3.664 1.00 0.00 O ATOM 221 CB GLN C 6 -11.150 6.189 1.427 1.00 0.00 C ATOM 222 CG GLN C 6 -11.402 7.440 0.590 1.00 0.00 C ATOM 223 CD GLN C 6 -12.877 7.554 0.242 1.00 0.00 C ATOM 224 OE1 GLN C 6 -13.728 7.632 1.128 1.00 0.00 O ATOM 225 NE2 GLN C 6 -13.226 7.572 -1.015 1.00 0.00 N ATOM 0 H GLN C 6 -9.918 4.825 3.445 1.00 0.00 H new ATOM 0 HA GLN C 6 -9.068 6.175 0.928 1.00 0.00 H new ATOM 0 HB2 GLN C 6 -11.413 5.297 0.858 1.00 0.00 H new ATOM 0 HB3 GLN C 6 -11.782 6.198 2.315 1.00 0.00 H new ATOM 0 HG2 GLN C 6 -11.082 8.325 1.141 1.00 0.00 H new ATOM 0 HG3 GLN C 6 -10.808 7.401 -0.323 1.00 0.00 H new ATOM 0 HE21 GLN C 6 -12.514 7.507 -1.743 1.00 0.00 H new ATOM 0 HE22 GLN C 6 -14.210 7.651 -1.270 1.00 0.00 H new ATOM 234 N ILE C 7 -8.212 7.976 2.367 1.00 0.00 N ATOM 235 CA ILE C 7 -7.733 9.125 3.121 1.00 0.00 C ATOM 236 C ILE C 7 -6.978 10.090 2.207 1.00 0.00 C ATOM 237 O ILE C 7 -6.180 10.858 2.716 1.00 0.00 O ATOM 238 CB ILE C 7 -6.831 8.657 4.279 1.00 0.00 C ATOM 239 CG1 ILE C 7 -5.501 8.089 3.753 1.00 0.00 C ATOM 240 CG2 ILE C 7 -7.549 7.583 5.102 1.00 0.00 C ATOM 241 CD1 ILE C 7 -5.746 6.930 2.775 1.00 0.00 C ATOM 242 OXT ILE C 7 -7.224 10.055 1.011 1.00 0.00 O ATOM 0 H ILE C 7 -7.627 7.723 1.571 1.00 0.00 H new ATOM 0 HA ILE C 7 -8.591 9.653 3.538 1.00 0.00 H new ATOM 0 HB ILE C 7 -6.617 9.522 4.907 1.00 0.00 H new ATOM 0 HG12 ILE C 7 -4.937 8.877 3.254 1.00 0.00 H new ATOM 0 HG13 ILE C 7 -4.894 7.742 4.589 1.00 0.00 H new ATOM 0 HG21 ILE C 7 -6.904 7.258 5.918 1.00 0.00 H new ATOM 0 HG22 ILE C 7 -8.472 7.994 5.511 1.00 0.00 H new ATOM 0 HG23 ILE C 7 -7.783 6.731 4.463 1.00 0.00 H new ATOM 0 HD11 ILE C 7 -4.790 6.547 2.418 1.00 0.00 H new ATOM 0 HD12 ILE C 7 -6.289 6.134 3.283 1.00 0.00 H new ATOM 0 HD13 ILE C 7 -6.333 7.286 1.928 1.00 0.00 H new ATOM 255 N ILE E 1 -5.199 -11.623 -0.342 1.00 0.00 N ATOM 256 CA ILE E 1 -5.364 -10.351 0.418 1.00 0.00 C ATOM 257 C ILE E 1 -5.487 -9.192 -0.561 1.00 0.00 C ATOM 258 O ILE E 1 -4.669 -9.050 -1.480 1.00 0.00 O ATOM 259 CB ILE E 1 -4.152 -10.148 1.343 1.00 0.00 C ATOM 260 CG1 ILE E 1 -4.173 -11.235 2.423 1.00 0.00 C ATOM 261 CG2 ILE E 1 -4.213 -8.764 1.992 1.00 0.00 C ATOM 262 CD1 ILE E 1 -2.868 -11.217 3.215 1.00 0.00 C ATOM 0 H1 ILE E 1 -5.562 -12.416 0.225 1.00 0.00 H new ATOM 0 H2 ILE E 1 -5.729 -11.565 -1.235 1.00 0.00 H new ATOM 0 H3 ILE E 1 -4.191 -11.777 -0.547 1.00 0.00 H new ATOM 0 HA ILE E 1 -6.267 -10.395 1.027 1.00 0.00 H new ATOM 0 HB ILE E 1 -3.230 -10.217 0.765 1.00 0.00 H new ATOM 0 HG12 ILE E 1 -5.017 -11.074 3.094 1.00 0.00 H new ATOM 0 HG13 ILE E 1 -4.314 -12.213 1.962 1.00 0.00 H new ATOM 0 HG21 ILE E 1 -3.351 -8.630 2.645 1.00 0.00 H new ATOM 0 HG22 ILE E 1 -4.204 -7.998 1.217 1.00 0.00 H new ATOM 0 HG23 ILE E 1 -5.128 -8.677 2.577 1.00 0.00 H new ATOM 0 HD11 ILE E 1 -2.895 -11.994 3.979 1.00 0.00 H new ATOM 0 HD12 ILE E 1 -2.031 -11.400 2.541 1.00 0.00 H new ATOM 0 HD13 ILE E 1 -2.745 -10.244 3.691 1.00 0.00 H new ATOM 276 N HIS E 2 -6.506 -8.348 -0.360 1.00 0.00 N ATOM 277 CA HIS E 2 -6.701 -7.206 -1.225 1.00 0.00 C ATOM 278 C HIS E 2 -6.443 -5.941 -0.427 1.00 0.00 C ATOM 279 O HIS E 2 -7.106 -5.698 0.584 1.00 0.00 O ATOM 280 CB HIS E 2 -8.173 -7.235 -1.689 1.00 0.00 C ATOM 281 CG HIS E 2 -8.574 -5.918 -2.299 1.00 0.00 C ATOM 282 ND1 HIS E 2 -9.875 -5.396 -2.214 1.00 0.00 N ATOM 283 CD2 HIS E 2 -7.863 -5.026 -3.042 1.00 0.00 C ATOM 284 CE1 HIS E 2 -9.891 -4.247 -2.897 1.00 0.00 C ATOM 285 NE2 HIS E 2 -8.701 -3.965 -3.424 1.00 0.00 N ATOM 0 H HIS E 2 -7.194 -8.442 0.387 1.00 0.00 H new ATOM 0 HA HIS E 2 -6.027 -7.232 -2.081 1.00 0.00 H new ATOM 0 HB2 HIS E 2 -8.313 -8.034 -2.417 1.00 0.00 H new ATOM 0 HB3 HIS E 2 -8.821 -7.459 -0.841 1.00 0.00 H new ATOM 0 HD1 HIS E 2 -10.663 -5.816 -1.721 1.00 0.00 H new ATOM 0 HD2 HIS E 2 -6.818 -5.119 -3.298 1.00 0.00 H new ATOM 0 HE1 HIS E 2 -10.765 -3.622 -3.008 1.00 0.00 H new ATOM 292 N VAL E 3 -5.508 -5.118 -0.896 1.00 0.00 N ATOM 293 CA VAL E 3 -5.210 -3.858 -0.225 1.00 0.00 C ATOM 294 C VAL E 3 -5.478 -2.688 -1.151 1.00 0.00 C ATOM 295 O VAL E 3 -4.874 -2.605 -2.221 1.00 0.00 O ATOM 296 CB VAL E 3 -3.752 -3.838 0.194 1.00 0.00 C ATOM 297 CG1 VAL E 3 -3.454 -2.531 0.927 1.00 0.00 C ATOM 298 CG2 VAL E 3 -3.469 -5.037 1.102 1.00 0.00 C ATOM 0 H VAL E 3 -4.949 -5.299 -1.730 1.00 0.00 H new ATOM 0 HA VAL E 3 -5.850 -3.771 0.653 1.00 0.00 H new ATOM 0 HB VAL E 3 -3.111 -3.903 -0.685 1.00 0.00 H new ATOM 0 HG11 VAL E 3 -2.407 -2.514 1.229 1.00 0.00 H new ATOM 0 HG12 VAL E 3 -3.654 -1.689 0.265 1.00 0.00 H new ATOM 0 HG13 VAL E 3 -4.088 -2.457 1.811 1.00 0.00 H new ATOM 0 HG21 VAL E 3 -2.422 -5.025 1.405 1.00 0.00 H new ATOM 0 HG22 VAL E 3 -4.103 -4.981 1.987 1.00 0.00 H new ATOM 0 HG23 VAL E 3 -3.680 -5.960 0.562 1.00 0.00 H new ATOM 308 N HIS E 4 -6.351 -1.760 -0.739 1.00 0.00 N ATOM 309 CA HIS E 4 -6.639 -0.590 -1.537 1.00 0.00 C ATOM 310 C HIS E 4 -6.263 0.698 -0.804 1.00 0.00 C ATOM 311 O HIS E 4 -6.628 0.888 0.360 1.00 0.00 O ATOM 312 CB HIS E 4 -8.130 -0.615 -1.918 1.00 0.00 C ATOM 313 CG HIS E 4 -8.356 0.196 -3.164 1.00 0.00 C ATOM 314 ND1 HIS E 4 -8.722 -0.352 -4.410 1.00 0.00 N ATOM 315 CD2 HIS E 4 -8.278 1.532 -3.351 1.00 0.00 C ATOM 316 CE1 HIS E 4 -8.846 0.672 -5.268 1.00 0.00 C ATOM 317 NE2 HIS E 4 -8.589 1.844 -4.676 1.00 0.00 N ATOM 0 H HIS E 4 -6.863 -1.808 0.142 1.00 0.00 H new ATOM 0 HA HIS E 4 -6.034 -0.609 -2.443 1.00 0.00 H new ATOM 0 HB2 HIS E 4 -8.455 -1.643 -2.079 1.00 0.00 H new ATOM 0 HB3 HIS E 4 -8.730 -0.215 -1.100 1.00 0.00 H new ATOM 0 HD2 HIS E 4 -8.014 2.251 -2.589 1.00 0.00 H new ATOM 0 HE1 HIS E 4 -9.119 0.564 -6.307 1.00 0.00 H new ATOM 0 HE2 HIS E 4 -8.615 2.770 -5.103 1.00 0.00 H new ATOM 325 N LEU E 5 -5.535 1.583 -1.491 1.00 0.00 N ATOM 326 CA LEU E 5 -5.105 2.858 -0.905 1.00 0.00 C ATOM 327 C LEU E 5 -5.432 4.031 -1.815 1.00 0.00 C ATOM 328 O LEU E 5 -5.008 4.066 -2.972 1.00 0.00 O ATOM 329 CB LEU E 5 -3.589 2.793 -0.693 1.00 0.00 C ATOM 330 CG LEU E 5 -3.271 1.953 0.550 1.00 0.00 C ATOM 331 CD1 LEU E 5 -1.841 1.434 0.459 1.00 0.00 C ATOM 332 CD2 LEU E 5 -3.369 2.833 1.798 1.00 0.00 C ATOM 0 H LEU E 5 -5.230 1.441 -2.454 1.00 0.00 H new ATOM 0 HA LEU E 5 -5.632 3.011 0.037 1.00 0.00 H new ATOM 0 HB2 LEU E 5 -3.109 2.358 -1.569 1.00 0.00 H new ATOM 0 HB3 LEU E 5 -3.186 3.799 -0.576 1.00 0.00 H new ATOM 0 HG LEU E 5 -3.977 1.125 0.608 1.00 0.00 H new ATOM 0 HD11 LEU E 5 -1.614 0.837 1.342 1.00 0.00 H new ATOM 0 HD12 LEU E 5 -1.734 0.817 -0.433 1.00 0.00 H new ATOM 0 HD13 LEU E 5 -1.151 2.276 0.403 1.00 0.00 H new ATOM 0 HD21 LEU E 5 -3.143 2.237 2.682 1.00 0.00 H new ATOM 0 HD22 LEU E 5 -2.656 3.654 1.722 1.00 0.00 H new ATOM 0 HD23 LEU E 5 -4.378 3.236 1.880 1.00 0.00 H new ATOM 344 N GLN E 6 -6.147 5.013 -1.272 1.00 0.00 N ATOM 345 CA GLN E 6 -6.484 6.215 -2.034 1.00 0.00 C ATOM 346 C GLN E 6 -6.106 7.443 -1.216 1.00 0.00 C ATOM 347 O GLN E 6 -6.789 7.786 -0.253 1.00 0.00 O ATOM 348 CB GLN E 6 -7.979 6.221 -2.351 1.00 0.00 C ATOM 349 CG GLN E 6 -8.301 7.406 -3.262 1.00 0.00 C ATOM 350 CD GLN E 6 -9.802 7.485 -3.523 1.00 0.00 C ATOM 351 OE1 GLN E 6 -10.605 7.543 -2.589 1.00 0.00 O ATOM 352 NE2 GLN E 6 -10.228 7.510 -4.755 1.00 0.00 N ATOM 0 H GLN E 6 -6.502 5.002 -0.316 1.00 0.00 H new ATOM 0 HA GLN E 6 -5.932 6.228 -2.974 1.00 0.00 H new ATOM 0 HB2 GLN E 6 -8.263 5.287 -2.837 1.00 0.00 H new ATOM 0 HB3 GLN E 6 -8.557 6.289 -1.429 1.00 0.00 H new ATOM 0 HG2 GLN E 6 -7.957 8.332 -2.800 1.00 0.00 H new ATOM 0 HG3 GLN E 6 -7.766 7.303 -4.206 1.00 0.00 H new ATOM 0 HE21 GLN E 6 -9.562 7.462 -5.526 1.00 0.00 H new ATOM 0 HE22 GLN E 6 -11.227 7.578 -4.948 1.00 0.00 H new ATOM 361 N ILE E 7 -5.005 8.097 -1.602 1.00 0.00 N ATOM 362 CA ILE E 7 -4.526 9.284 -0.883 1.00 0.00 C ATOM 363 C ILE E 7 -4.404 10.461 -1.847 1.00 0.00 C ATOM 364 O ILE E 7 -3.310 10.689 -2.336 1.00 0.00 O ATOM 365 CB ILE E 7 -3.148 9.000 -0.250 1.00 0.00 C ATOM 366 CG1 ILE E 7 -3.211 7.727 0.581 1.00 0.00 C ATOM 367 CG2 ILE E 7 -2.766 10.154 0.665 1.00 0.00 C ATOM 368 CD1 ILE E 7 -1.805 7.307 0.998 1.00 0.00 C ATOM 369 OXT ILE E 7 -5.408 11.112 -2.090 1.00 0.00 O ATOM 0 H ILE E 7 -4.432 7.828 -2.402 1.00 0.00 H new ATOM 0 HA ILE E 7 -5.241 9.529 -0.097 1.00 0.00 H new ATOM 0 HB ILE E 7 -2.411 8.886 -1.045 1.00 0.00 H new ATOM 0 HG12 ILE E 7 -3.828 7.890 1.465 1.00 0.00 H new ATOM 0 HG13 ILE E 7 -3.682 6.930 0.006 1.00 0.00 H new ATOM 0 HG21 ILE E 7 -1.793 9.956 1.114 1.00 0.00 H new ATOM 0 HG22 ILE E 7 -2.718 11.077 0.086 1.00 0.00 H new ATOM 0 HG23 ILE E 7 -3.514 10.258 1.451 1.00 0.00 H new ATOM 0 HD11 ILE E 7 -1.859 6.395 1.592 1.00 0.00 H new ATOM 0 HD12 ILE E 7 -1.201 7.126 0.109 1.00 0.00 H new ATOM 0 HD13 ILE E 7 -1.349 8.100 1.591 1.00 0.00 H new ATOM 382 N ILE G 1 -1.896 -11.681 -3.872 1.00 0.00 N ATOM 383 CA ILE G 1 -2.071 -10.370 -3.184 1.00 0.00 C ATOM 384 C ILE G 1 -2.221 -9.277 -4.235 1.00 0.00 C ATOM 385 O ILE G 1 -1.328 -9.081 -5.070 1.00 0.00 O ATOM 386 CB ILE G 1 -0.832 -10.079 -2.317 1.00 0.00 C ATOM 387 CG1 ILE G 1 -0.672 -11.203 -1.293 1.00 0.00 C ATOM 388 CG2 ILE G 1 -1.019 -8.749 -1.587 1.00 0.00 C ATOM 389 CD1 ILE G 1 0.705 -11.111 -0.640 1.00 0.00 C ATOM 0 H1 ILE G 1 -2.498 -12.396 -3.416 1.00 0.00 H new ATOM 0 H2 ILE G 1 -2.167 -11.587 -4.872 1.00 0.00 H new ATOM 0 H3 ILE G 1 -0.901 -11.976 -3.809 1.00 0.00 H new ATOM 0 HA ILE G 1 -2.958 -10.399 -2.551 1.00 0.00 H new ATOM 0 HB ILE G 1 0.055 -10.021 -2.947 1.00 0.00 H new ATOM 0 HG12 ILE G 1 -1.451 -11.130 -0.534 1.00 0.00 H new ATOM 0 HG13 ILE G 1 -0.791 -12.171 -1.780 1.00 0.00 H new ATOM 0 HG21 ILE G 1 -0.142 -8.544 -0.974 1.00 0.00 H new ATOM 0 HG22 ILE G 1 -1.147 -7.949 -2.316 1.00 0.00 H new ATOM 0 HG23 ILE G 1 -1.902 -8.804 -0.950 1.00 0.00 H new ATOM 0 HD11 ILE G 1 0.816 -11.913 0.089 1.00 0.00 H new ATOM 0 HD12 ILE G 1 1.477 -11.205 -1.404 1.00 0.00 H new ATOM 0 HD13 ILE G 1 0.806 -10.148 -0.139 1.00 0.00 H new ATOM 403 N HIS G 2 -3.335 -8.542 -4.191 1.00 0.00 N ATOM 404 CA HIS G 2 -3.526 -7.445 -5.143 1.00 0.00 C ATOM 405 C HIS G 2 -3.432 -6.137 -4.377 1.00 0.00 C ATOM 406 O HIS G 2 -4.201 -5.906 -3.442 1.00 0.00 O ATOM 407 CB HIS G 2 -4.919 -7.560 -5.801 1.00 0.00 C ATOM 408 CG HIS G 2 -4.846 -8.379 -7.065 1.00 0.00 C ATOM 409 ND1 HIS G 2 -5.192 -7.854 -8.302 1.00 0.00 N ATOM 410 CD2 HIS G 2 -4.479 -9.681 -7.300 1.00 0.00 C ATOM 411 CE1 HIS G 2 -5.029 -8.828 -9.216 1.00 0.00 C ATOM 412 NE2 HIS G 2 -4.597 -9.961 -8.659 1.00 0.00 N ATOM 0 H HIS G 2 -4.098 -8.679 -3.528 1.00 0.00 H new ATOM 0 HA HIS G 2 -2.766 -7.486 -5.923 1.00 0.00 H new ATOM 0 HB2 HIS G 2 -5.619 -8.020 -5.104 1.00 0.00 H new ATOM 0 HB3 HIS G 2 -5.303 -6.565 -6.028 1.00 0.00 H new ATOM 0 HD2 HIS G 2 -4.149 -10.381 -6.546 1.00 0.00 H new ATOM 0 HE1 HIS G 2 -5.224 -8.707 -10.271 1.00 0.00 H new ATOM 0 HE2 HIS G 2 -4.396 -10.844 -9.129 1.00 0.00 H new ATOM 420 N VAL G 3 -2.509 -5.270 -4.791 1.00 0.00 N ATOM 421 CA VAL G 3 -2.359 -3.972 -4.144 1.00 0.00 C ATOM 422 C VAL G 3 -2.680 -2.867 -5.144 1.00 0.00 C ATOM 423 O VAL G 3 -2.068 -2.804 -6.216 1.00 0.00 O ATOM 424 CB VAL G 3 -0.927 -3.816 -3.623 1.00 0.00 C ATOM 425 CG1 VAL G 3 -0.834 -2.558 -2.751 1.00 0.00 C ATOM 426 CG2 VAL G 3 -0.537 -5.052 -2.802 1.00 0.00 C ATOM 0 H VAL G 3 -1.863 -5.441 -5.561 1.00 0.00 H new ATOM 0 HA VAL G 3 -3.048 -3.902 -3.302 1.00 0.00 H new ATOM 0 HB VAL G 3 -0.243 -3.720 -4.466 1.00 0.00 H new ATOM 0 HG11 VAL G 3 0.185 -2.447 -2.380 1.00 0.00 H new ATOM 0 HG12 VAL G 3 -1.102 -1.684 -3.344 1.00 0.00 H new ATOM 0 HG13 VAL G 3 -1.519 -2.648 -1.908 1.00 0.00 H new ATOM 0 HG21 VAL G 3 0.482 -4.937 -2.433 1.00 0.00 H new ATOM 0 HG22 VAL G 3 -1.218 -5.158 -1.958 1.00 0.00 H new ATOM 0 HG23 VAL G 3 -0.597 -5.940 -3.431 1.00 0.00 H new ATOM 436 N HIS G 4 -3.604 -1.981 -4.787 1.00 0.00 N ATOM 437 CA HIS G 4 -3.954 -0.858 -5.667 1.00 0.00 C ATOM 438 C HIS G 4 -3.622 0.452 -4.949 1.00 0.00 C ATOM 439 O HIS G 4 -4.038 0.643 -3.804 1.00 0.00 O ATOM 440 CB HIS G 4 -5.470 -0.917 -6.018 1.00 0.00 C ATOM 441 CG HIS G 4 -5.875 -2.277 -6.602 1.00 0.00 C ATOM 442 ND1 HIS G 4 -7.060 -2.935 -6.235 1.00 0.00 N ATOM 443 CD2 HIS G 4 -5.275 -3.108 -7.530 1.00 0.00 C ATOM 444 CE1 HIS G 4 -7.118 -4.088 -6.926 1.00 0.00 C ATOM 445 NE2 HIS G 4 -6.059 -4.246 -7.726 1.00 0.00 N ATOM 0 H HIS G 4 -4.121 -2.012 -3.908 1.00 0.00 H new ATOM 0 HA HIS G 4 -3.384 -0.917 -6.594 1.00 0.00 H new ATOM 0 HB2 HIS G 4 -6.057 -0.719 -5.121 1.00 0.00 H new ATOM 0 HB3 HIS G 4 -5.707 -0.130 -6.734 1.00 0.00 H new ATOM 0 HD1 HIS G 4 -7.752 -2.599 -5.565 1.00 0.00 H new ATOM 0 HD2 HIS G 4 -4.339 -2.906 -8.029 1.00 0.00 H new ATOM 0 HE1 HIS G 4 -7.925 -4.801 -6.844 1.00 0.00 H new ATOM 452 N LEU G 5 -2.878 1.355 -5.607 1.00 0.00 N ATOM 453 CA LEU G 5 -2.511 2.637 -4.981 1.00 0.00 C ATOM 454 C LEU G 5 -2.767 3.817 -5.909 1.00 0.00 C ATOM 455 O LEU G 5 -2.182 3.916 -6.998 1.00 0.00 O ATOM 456 CB LEU G 5 -1.033 2.621 -4.604 1.00 0.00 C ATOM 457 CG LEU G 5 -0.691 1.322 -3.830 1.00 0.00 C ATOM 458 CD1 LEU G 5 -0.157 0.243 -4.789 1.00 0.00 C ATOM 459 CD2 LEU G 5 0.372 1.607 -2.763 1.00 0.00 C ATOM 0 H LEU G 5 -2.524 1.226 -6.555 1.00 0.00 H new ATOM 0 HA LEU G 5 -3.133 2.756 -4.094 1.00 0.00 H new ATOM 0 HB2 LEU G 5 -0.420 2.689 -5.503 1.00 0.00 H new ATOM 0 HB3 LEU G 5 -0.797 3.491 -3.991 1.00 0.00 H new ATOM 0 HG LEU G 5 -1.604 0.963 -3.355 1.00 0.00 H new ATOM 0 HD11 LEU G 5 0.077 -0.661 -4.226 1.00 0.00 H new ATOM 0 HD12 LEU G 5 -0.914 0.017 -5.540 1.00 0.00 H new ATOM 0 HD13 LEU G 5 0.745 0.608 -5.281 1.00 0.00 H new ATOM 0 HD21 LEU G 5 0.604 0.687 -2.226 1.00 0.00 H new ATOM 0 HD22 LEU G 5 1.275 1.986 -3.241 1.00 0.00 H new ATOM 0 HD23 LEU G 5 -0.006 2.351 -2.062 1.00 0.00 H new ATOM 471 N GLN G 6 -3.606 4.739 -5.445 1.00 0.00 N ATOM 472 CA GLN G 6 -3.914 5.945 -6.202 1.00 0.00 C ATOM 473 C GLN G 6 -3.569 7.164 -5.369 1.00 0.00 C ATOM 474 O GLN G 6 -4.282 7.504 -4.423 1.00 0.00 O ATOM 475 CB GLN G 6 -5.397 5.951 -6.570 1.00 0.00 C ATOM 476 CG GLN G 6 -5.700 7.180 -7.422 1.00 0.00 C ATOM 477 CD GLN G 6 -7.185 7.255 -7.743 1.00 0.00 C ATOM 478 OE1 GLN G 6 -8.026 7.312 -6.839 1.00 0.00 O ATOM 479 NE2 GLN G 6 -7.553 7.269 -8.993 1.00 0.00 N ATOM 0 H GLN G 6 -4.085 4.672 -4.547 1.00 0.00 H new ATOM 0 HA GLN G 6 -3.325 5.967 -7.119 1.00 0.00 H new ATOM 0 HB2 GLN G 6 -5.651 5.043 -7.117 1.00 0.00 H new ATOM 0 HB3 GLN G 6 -6.008 5.961 -5.667 1.00 0.00 H new ATOM 0 HG2 GLN G 6 -5.391 8.081 -6.893 1.00 0.00 H new ATOM 0 HG3 GLN G 6 -5.124 7.139 -8.346 1.00 0.00 H new ATOM 0 HE21 GLN G 6 -6.851 7.222 -9.732 1.00 0.00 H new ATOM 0 HE22 GLN G 6 -8.543 7.327 -9.233 1.00 0.00 H new ATOM 488 N ILE G 7 -2.466 7.816 -5.736 1.00 0.00 N ATOM 489 CA ILE G 7 -2.001 8.997 -5.026 1.00 0.00 C ATOM 490 C ILE G 7 -1.286 9.952 -5.978 1.00 0.00 C ATOM 491 O ILE G 7 -0.538 10.789 -5.503 1.00 0.00 O ATOM 492 CB ILE G 7 -1.071 8.574 -3.872 1.00 0.00 C ATOM 493 CG1 ILE G 7 0.283 8.071 -4.401 1.00 0.00 C ATOM 494 CG2 ILE G 7 -1.731 7.457 -3.055 1.00 0.00 C ATOM 495 CD1 ILE G 7 0.088 6.911 -5.388 1.00 0.00 C ATOM 496 OXT ILE G 7 -1.517 9.844 -7.173 1.00 0.00 O ATOM 0 H ILE G 7 -1.879 7.542 -6.524 1.00 0.00 H new ATOM 0 HA ILE G 7 -2.860 9.524 -4.611 1.00 0.00 H new ATOM 0 HB ILE G 7 -0.899 9.449 -3.245 1.00 0.00 H new ATOM 0 HG12 ILE G 7 0.812 8.887 -4.893 1.00 0.00 H new ATOM 0 HG13 ILE G 7 0.905 7.744 -3.568 1.00 0.00 H new ATOM 0 HG21 ILE G 7 -1.069 7.162 -2.241 1.00 0.00 H new ATOM 0 HG22 ILE G 7 -2.675 7.816 -2.644 1.00 0.00 H new ATOM 0 HG23 ILE G 7 -1.919 6.598 -3.699 1.00 0.00 H new ATOM 0 HD11 ILE G 7 1.059 6.573 -5.748 1.00 0.00 H new ATOM 0 HD12 ILE G 7 -0.420 6.088 -4.886 1.00 0.00 H new ATOM 0 HD13 ILE G 7 -0.514 7.248 -6.232 1.00 0.00 H new ATOM 509 N ILE I 1 0.933 -11.648 -7.971 1.00 0.00 N ATOM 510 CA ILE I 1 0.768 -10.366 -7.226 1.00 0.00 C ATOM 511 C ILE I 1 0.586 -9.229 -8.220 1.00 0.00 C ATOM 512 O ILE I 1 1.382 -9.079 -9.149 1.00 0.00 O ATOM 513 CB ILE I 1 2.010 -10.111 -6.361 1.00 0.00 C ATOM 514 CG1 ILE I 1 2.083 -11.188 -5.276 1.00 0.00 C ATOM 515 CG2 ILE I 1 1.916 -8.728 -5.717 1.00 0.00 C ATOM 516 CD1 ILE I 1 3.424 -11.106 -4.556 1.00 0.00 C ATOM 0 H1 ILE I 1 0.639 -12.441 -7.366 1.00 0.00 H new ATOM 0 H2 ILE I 1 0.344 -11.630 -8.828 1.00 0.00 H new ATOM 0 H3 ILE I 1 1.931 -11.768 -8.239 1.00 0.00 H new ATOM 0 HA ILE I 1 -0.108 -10.425 -6.581 1.00 0.00 H new ATOM 0 HB ILE I 1 2.907 -10.149 -6.979 1.00 0.00 H new ATOM 0 HG12 ILE I 1 1.269 -11.055 -4.564 1.00 0.00 H new ATOM 0 HG13 ILE I 1 1.959 -12.175 -5.722 1.00 0.00 H new ATOM 0 HG21 ILE I 1 2.800 -8.551 -5.104 1.00 0.00 H new ATOM 0 HG22 ILE I 1 1.856 -7.967 -6.496 1.00 0.00 H new ATOM 0 HG23 ILE I 1 1.025 -8.678 -5.092 1.00 0.00 H new ATOM 0 HD11 ILE I 1 3.470 -11.875 -3.785 1.00 0.00 H new ATOM 0 HD12 ILE I 1 4.231 -11.261 -5.272 1.00 0.00 H new ATOM 0 HD13 ILE I 1 3.530 -10.124 -4.096 1.00 0.00 H new ATOM 530 N HIS I 2 -0.455 -8.413 -8.016 1.00 0.00 N ATOM 531 CA HIS I 2 -0.696 -7.292 -8.900 1.00 0.00 C ATOM 532 C HIS I 2 -0.430 -6.004 -8.139 1.00 0.00 C ATOM 533 O HIS I 2 -1.062 -5.746 -7.114 1.00 0.00 O ATOM 534 CB HIS I 2 -2.182 -7.346 -9.322 1.00 0.00 C ATOM 535 CG HIS I 2 -2.611 -6.049 -9.955 1.00 0.00 C ATOM 536 ND1 HIS I 2 -3.922 -5.552 -9.874 1.00 0.00 N ATOM 537 CD2 HIS I 2 -1.919 -5.150 -10.709 1.00 0.00 C ATOM 538 CE1 HIS I 2 -3.960 -4.406 -10.566 1.00 0.00 C ATOM 539 NE2 HIS I 2 -2.777 -4.107 -11.099 1.00 0.00 N ATOM 0 H HIS I 2 -1.128 -8.514 -7.256 1.00 0.00 H new ATOM 0 HA HIS I 2 -0.048 -7.332 -9.776 1.00 0.00 H new ATOM 0 HB2 HIS I 2 -2.335 -8.165 -10.024 1.00 0.00 H new ATOM 0 HB3 HIS I 2 -2.804 -7.553 -8.451 1.00 0.00 H new ATOM 0 HD1 HIS I 2 -4.702 -5.984 -9.379 1.00 0.00 H new ATOM 0 HD2 HIS I 2 -0.873 -5.227 -10.967 1.00 0.00 H new ATOM 0 HE1 HIS I 2 -4.845 -3.797 -10.678 1.00 0.00 H new ATOM 546 N VAL I 3 0.479 -5.181 -8.659 1.00 0.00 N ATOM 547 CA VAL I 3 0.783 -3.901 -8.029 1.00 0.00 C ATOM 548 C VAL I 3 0.460 -2.758 -8.973 1.00 0.00 C ATOM 549 O VAL I 3 1.023 -2.691 -10.066 1.00 0.00 O ATOM 550 CB VAL I 3 2.259 -3.855 -7.675 1.00 0.00 C ATOM 551 CG1 VAL I 3 2.569 -2.524 -6.995 1.00 0.00 C ATOM 552 CG2 VAL I 3 2.600 -5.021 -6.739 1.00 0.00 C ATOM 0 H VAL I 3 1.012 -5.376 -9.506 1.00 0.00 H new ATOM 0 HA VAL I 3 0.179 -3.798 -7.128 1.00 0.00 H new ATOM 0 HB VAL I 3 2.860 -3.944 -8.580 1.00 0.00 H new ATOM 0 HG11 VAL I 3 3.628 -2.485 -6.738 1.00 0.00 H new ATOM 0 HG12 VAL I 3 2.329 -1.705 -7.673 1.00 0.00 H new ATOM 0 HG13 VAL I 3 1.972 -2.431 -6.088 1.00 0.00 H new ATOM 0 HG21 VAL I 3 3.660 -4.987 -6.486 1.00 0.00 H new ATOM 0 HG22 VAL I 3 2.007 -4.942 -5.828 1.00 0.00 H new ATOM 0 HG23 VAL I 3 2.376 -5.965 -7.237 1.00 0.00 H new ATOM 562 N HIS I 4 -0.417 -1.835 -8.552 1.00 0.00 N ATOM 563 CA HIS I 4 -0.757 -0.689 -9.367 1.00 0.00 C ATOM 564 C HIS I 4 -0.378 0.623 -8.679 1.00 0.00 C ATOM 565 O HIS I 4 -0.703 0.833 -7.508 1.00 0.00 O ATOM 566 CB HIS I 4 -2.259 -0.749 -9.693 1.00 0.00 C ATOM 567 CG HIS I 4 -2.545 0.043 -10.938 1.00 0.00 C ATOM 568 ND1 HIS I 4 -2.945 -0.527 -12.162 1.00 0.00 N ATOM 569 CD2 HIS I 4 -2.503 1.376 -11.145 1.00 0.00 C ATOM 570 CE1 HIS I 4 -3.124 0.480 -13.030 1.00 0.00 C ATOM 571 NE2 HIS I 4 -2.870 1.665 -12.463 1.00 0.00 N ATOM 0 H HIS I 4 -0.896 -1.871 -7.652 1.00 0.00 H new ATOM 0 HA HIS I 4 -0.186 -0.720 -10.295 1.00 0.00 H new ATOM 0 HB2 HIS I 4 -2.569 -1.785 -9.831 1.00 0.00 H new ATOM 0 HB3 HIS I 4 -2.837 -0.352 -8.858 1.00 0.00 H new ATOM 0 HD2 HIS I 4 -2.227 2.110 -10.403 1.00 0.00 H new ATOM 0 HE1 HIS I 4 -3.434 0.351 -14.056 1.00 0.00 H new ATOM 0 HE2 HIS I 4 -2.931 2.585 -12.900 1.00 0.00 H new ATOM 579 N LEU I 5 0.308 1.506 -9.414 1.00 0.00 N ATOM 580 CA LEU I 5 0.736 2.801 -8.872 1.00 0.00 C ATOM 581 C LEU I 5 0.374 3.947 -9.804 1.00 0.00 C ATOM 582 O LEU I 5 0.810 3.980 -10.957 1.00 0.00 O ATOM 583 CB LEU I 5 2.257 2.759 -8.696 1.00 0.00 C ATOM 584 CG LEU I 5 2.614 1.961 -7.436 1.00 0.00 C ATOM 585 CD1 LEU I 5 4.048 1.452 -7.548 1.00 0.00 C ATOM 586 CD2 LEU I 5 2.535 2.879 -6.213 1.00 0.00 C ATOM 0 H LEU I 5 0.578 1.348 -10.385 1.00 0.00 H new ATOM 0 HA LEU I 5 0.229 2.972 -7.923 1.00 0.00 H new ATOM 0 HB2 LEU I 5 2.721 2.302 -9.570 1.00 0.00 H new ATOM 0 HB3 LEU I 5 2.651 3.772 -8.619 1.00 0.00 H new ATOM 0 HG LEU I 5 1.919 1.127 -7.334 1.00 0.00 H new ATOM 0 HD11 LEU I 5 4.304 0.884 -6.653 1.00 0.00 H new ATOM 0 HD12 LEU I 5 4.139 0.809 -8.424 1.00 0.00 H new ATOM 0 HD13 LEU I 5 4.728 2.298 -7.647 1.00 0.00 H new ATOM 0 HD21 LEU I 5 2.788 2.313 -5.316 1.00 0.00 H new ATOM 0 HD22 LEU I 5 3.237 3.704 -6.332 1.00 0.00 H new ATOM 0 HD23 LEU I 5 1.523 3.274 -6.119 1.00 0.00 H new ATOM 598 N GLN I 6 -0.379 4.915 -9.283 1.00 0.00 N ATOM 599 CA GLN I 6 -0.745 6.092 -10.070 1.00 0.00 C ATOM 600 C GLN I 6 -0.369 7.344 -9.293 1.00 0.00 C ATOM 601 O GLN I 6 -1.051 7.714 -8.341 1.00 0.00 O ATOM 602 CB GLN I 6 -2.249 6.071 -10.347 1.00 0.00 C ATOM 603 CG GLN I 6 -2.609 7.212 -11.297 1.00 0.00 C ATOM 604 CD GLN I 6 -4.118 7.265 -11.521 1.00 0.00 C ATOM 605 OE1 GLN I 6 -4.902 7.261 -10.572 1.00 0.00 O ATOM 606 NE2 GLN I 6 -4.571 7.303 -12.741 1.00 0.00 N ATOM 0 H GLN I 6 -0.744 4.909 -8.331 1.00 0.00 H new ATOM 0 HA GLN I 6 -0.213 6.087 -11.021 1.00 0.00 H new ATOM 0 HB2 GLN I 6 -2.535 5.115 -10.785 1.00 0.00 H new ATOM 0 HB3 GLN I 6 -2.803 6.172 -9.414 1.00 0.00 H new ATOM 0 HG2 GLN I 6 -2.263 8.160 -10.884 1.00 0.00 H new ATOM 0 HG3 GLN I 6 -2.098 7.074 -12.250 1.00 0.00 H new ATOM 0 HE21 GLN I 6 -3.921 7.306 -13.527 1.00 0.00 H new ATOM 0 HE22 GLN I 6 -5.576 7.330 -12.911 1.00 0.00 H new ATOM 615 N ILE I 7 0.725 7.995 -9.706 1.00 0.00 N ATOM 616 CA ILE I 7 1.201 9.206 -9.027 1.00 0.00 C ATOM 617 C ILE I 7 1.247 10.372 -10.011 1.00 0.00 C ATOM 618 O ILE I 7 2.312 10.627 -10.548 1.00 0.00 O ATOM 619 CB ILE I 7 2.614 8.967 -8.447 1.00 0.00 C ATOM 620 CG1 ILE I 7 2.621 7.701 -7.606 1.00 0.00 C ATOM 621 CG2 ILE I 7 2.997 10.143 -7.553 1.00 0.00 C ATOM 622 CD1 ILE I 7 4.056 7.331 -7.249 1.00 0.00 C ATOM 623 OXT ILE I 7 0.214 10.991 -10.218 1.00 0.00 O ATOM 0 H ILE I 7 1.294 7.706 -10.502 1.00 0.00 H new ATOM 0 HA ILE I 7 0.514 9.445 -8.215 1.00 0.00 H new ATOM 0 HB ILE I 7 3.323 8.868 -9.269 1.00 0.00 H new ATOM 0 HG12 ILE I 7 2.037 7.853 -6.698 1.00 0.00 H new ATOM 0 HG13 ILE I 7 2.150 6.885 -8.155 1.00 0.00 H new ATOM 0 HG21 ILE I 7 3.993 9.978 -7.142 1.00 0.00 H new ATOM 0 HG22 ILE I 7 2.994 11.062 -8.139 1.00 0.00 H new ATOM 0 HG23 ILE I 7 2.278 10.230 -6.738 1.00 0.00 H new ATOM 0 HD11 ILE I 7 4.058 6.423 -6.646 1.00 0.00 H new ATOM 0 HD12 ILE I 7 4.626 7.161 -8.162 1.00 0.00 H new ATOM 0 HD13 ILE I 7 4.511 8.144 -6.683 1.00 0.00 H new ATOM 636 N ILE K 1 4.253 -11.643 -11.361 1.00 0.00 N ATOM 637 CA ILE K 1 4.150 -10.311 -10.699 1.00 0.00 C ATOM 638 C ILE K 1 3.942 -9.243 -11.764 1.00 0.00 C ATOM 639 O ILE K 1 4.826 -9.015 -12.591 1.00 0.00 O ATOM 640 CB ILE K 1 5.454 -10.019 -9.946 1.00 0.00 C ATOM 641 CG1 ILE K 1 5.677 -11.101 -8.890 1.00 0.00 C ATOM 642 CG2 ILE K 1 5.356 -8.654 -9.264 1.00 0.00 C ATOM 643 CD1 ILE K 1 7.097 -10.989 -8.338 1.00 0.00 C ATOM 0 H1 ILE K 1 3.910 -12.380 -10.713 1.00 0.00 H new ATOM 0 H2 ILE K 1 3.676 -11.646 -12.226 1.00 0.00 H new ATOM 0 H3 ILE K 1 5.246 -11.833 -11.607 1.00 0.00 H new ATOM 0 HA ILE K 1 3.313 -10.309 -10.001 1.00 0.00 H new ATOM 0 HB ILE K 1 6.288 -10.013 -10.648 1.00 0.00 H new ATOM 0 HG12 ILE K 1 4.952 -10.992 -8.083 1.00 0.00 H new ATOM 0 HG13 ILE K 1 5.522 -12.088 -9.326 1.00 0.00 H new ATOM 0 HG21 ILE K 1 6.283 -8.447 -8.729 1.00 0.00 H new ATOM 0 HG22 ILE K 1 5.191 -7.882 -10.016 1.00 0.00 H new ATOM 0 HG23 ILE K 1 4.524 -8.658 -8.560 1.00 0.00 H new ATOM 0 HD11 ILE K 1 7.256 -11.761 -7.585 1.00 0.00 H new ATOM 0 HD12 ILE K 1 7.814 -11.120 -9.149 1.00 0.00 H new ATOM 0 HD13 ILE K 1 7.235 -10.007 -7.886 1.00 0.00 H new ATOM 657 N HIS K 2 2.794 -8.561 -11.733 1.00 0.00 N ATOM 658 CA HIS K 2 2.545 -7.492 -12.705 1.00 0.00 C ATOM 659 C HIS K 2 2.649 -6.164 -11.976 1.00 0.00 C ATOM 660 O HIS K 2 1.928 -5.925 -11.006 1.00 0.00 O ATOM 661 CB HIS K 2 1.119 -7.636 -13.284 1.00 0.00 C ATOM 662 CG HIS K 2 1.132 -8.482 -14.527 1.00 0.00 C ATOM 663 ND1 HIS K 2 0.715 -7.990 -15.757 1.00 0.00 N ATOM 664 CD2 HIS K 2 1.493 -9.787 -14.746 1.00 0.00 C ATOM 665 CE1 HIS K 2 0.836 -8.989 -16.652 1.00 0.00 C ATOM 666 NE2 HIS K 2 1.306 -10.106 -16.087 1.00 0.00 N ATOM 0 H HIS K 2 2.040 -8.723 -11.065 1.00 0.00 H new ATOM 0 HA HIS K 2 3.269 -7.547 -13.518 1.00 0.00 H new ATOM 0 HB2 HIS K 2 0.463 -8.086 -12.539 1.00 0.00 H new ATOM 0 HB3 HIS K 2 0.713 -6.651 -13.513 1.00 0.00 H new ATOM 0 HD2 HIS K 2 1.866 -10.464 -13.992 1.00 0.00 H new ATOM 0 HE1 HIS K 2 0.584 -8.899 -17.698 1.00 0.00 H new ATOM 0 HE2 HIS K 2 1.488 -11.001 -16.542 1.00 0.00 H new ATOM 674 N VAL K 3 3.528 -5.290 -12.458 1.00 0.00 N ATOM 675 CA VAL K 3 3.690 -3.974 -11.853 1.00 0.00 C ATOM 676 C VAL K 3 3.287 -2.907 -12.866 1.00 0.00 C ATOM 677 O VAL K 3 3.829 -2.873 -13.973 1.00 0.00 O ATOM 678 CB VAL K 3 5.147 -3.778 -11.427 1.00 0.00 C ATOM 679 CG1 VAL K 3 5.277 -2.481 -10.619 1.00 0.00 C ATOM 680 CG2 VAL K 3 5.609 -4.973 -10.585 1.00 0.00 C ATOM 0 H VAL K 3 4.134 -5.468 -13.259 1.00 0.00 H new ATOM 0 HA VAL K 3 3.055 -3.891 -10.971 1.00 0.00 H new ATOM 0 HB VAL K 3 5.776 -3.709 -12.314 1.00 0.00 H new ATOM 0 HG11 VAL K 3 6.315 -2.343 -10.317 1.00 0.00 H new ATOM 0 HG12 VAL K 3 4.963 -1.637 -11.233 1.00 0.00 H new ATOM 0 HG13 VAL K 3 4.646 -2.540 -9.732 1.00 0.00 H new ATOM 0 HG21 VAL K 3 6.647 -4.827 -10.285 1.00 0.00 H new ATOM 0 HG22 VAL K 3 4.983 -5.056 -9.697 1.00 0.00 H new ATOM 0 HG23 VAL K 3 5.526 -5.887 -11.174 1.00 0.00 H new ATOM 690 N HIS K 4 2.369 -2.024 -12.490 1.00 0.00 N ATOM 691 CA HIS K 4 1.947 -0.940 -13.387 1.00 0.00 C ATOM 692 C HIS K 4 2.297 0.399 -12.737 1.00 0.00 C ATOM 693 O HIS K 4 1.957 0.625 -11.577 1.00 0.00 O ATOM 694 CB HIS K 4 0.416 -1.027 -13.645 1.00 0.00 C ATOM 695 CG HIS K 4 0.000 -2.404 -14.173 1.00 0.00 C ATOM 696 ND1 HIS K 4 -1.153 -3.072 -13.727 1.00 0.00 N ATOM 697 CD2 HIS K 4 0.559 -3.246 -15.117 1.00 0.00 C ATOM 698 CE1 HIS K 4 -1.233 -4.238 -14.390 1.00 0.00 C ATOM 699 NE2 HIS K 4 -0.220 -4.396 -15.246 1.00 0.00 N ATOM 0 H HIS K 4 1.904 -2.031 -11.582 1.00 0.00 H new ATOM 0 HA HIS K 4 2.462 -1.030 -14.343 1.00 0.00 H new ATOM 0 HB2 HIS K 4 -0.120 -0.817 -12.720 1.00 0.00 H new ATOM 0 HB3 HIS K 4 0.125 -0.260 -14.363 1.00 0.00 H new ATOM 0 HD2 HIS K 4 1.463 -3.043 -15.671 1.00 0.00 H new ATOM 0 HE1 HIS K 4 -2.022 -4.961 -14.248 1.00 0.00 H new ATOM 0 HE2 HIS K 4 -0.052 -5.190 -15.864 1.00 0.00 H new ATOM 706 N LEU K 5 2.974 1.286 -13.475 1.00 0.00 N ATOM 707 CA LEU K 5 3.355 2.598 -12.927 1.00 0.00 C ATOM 708 C LEU K 5 2.997 3.721 -13.885 1.00 0.00 C ATOM 709 O LEU K 5 3.414 3.717 -15.045 1.00 0.00 O ATOM 710 CB LEU K 5 4.863 2.638 -12.663 1.00 0.00 C ATOM 711 CG LEU K 5 5.298 1.376 -11.870 1.00 0.00 C ATOM 712 CD1 LEU K 5 5.802 0.282 -12.825 1.00 0.00 C ATOM 713 CD2 LEU K 5 6.417 1.727 -10.882 1.00 0.00 C ATOM 0 H LEU K 5 3.267 1.126 -14.439 1.00 0.00 H new ATOM 0 HA LEU K 5 2.806 2.739 -11.996 1.00 0.00 H new ATOM 0 HB2 LEU K 5 5.404 2.688 -13.608 1.00 0.00 H new ATOM 0 HB3 LEU K 5 5.118 3.536 -12.101 1.00 0.00 H new ATOM 0 HG LEU K 5 4.429 1.007 -11.325 1.00 0.00 H new ATOM 0 HD11 LEU K 5 6.102 -0.594 -12.249 1.00 0.00 H new ATOM 0 HD12 LEU K 5 5.005 0.007 -13.516 1.00 0.00 H new ATOM 0 HD13 LEU K 5 6.657 0.656 -13.388 1.00 0.00 H new ATOM 0 HD21 LEU K 5 6.712 0.833 -10.333 1.00 0.00 H new ATOM 0 HD22 LEU K 5 7.276 2.117 -11.428 1.00 0.00 H new ATOM 0 HD23 LEU K 5 6.060 2.482 -10.181 1.00 0.00 H new ATOM 725 N GLN K 6 2.256 4.704 -13.385 1.00 0.00 N ATOM 726 CA GLN K 6 1.880 5.861 -14.192 1.00 0.00 C ATOM 727 C GLN K 6 2.254 7.129 -13.449 1.00 0.00 C ATOM 728 O GLN K 6 1.582 7.518 -12.493 1.00 0.00 O ATOM 729 CB GLN K 6 0.375 5.838 -14.456 1.00 0.00 C ATOM 730 CG GLN K 6 0.005 6.975 -15.409 1.00 0.00 C ATOM 731 CD GLN K 6 -1.505 7.026 -15.601 1.00 0.00 C ATOM 732 OE1 GLN K 6 -2.263 7.012 -14.627 1.00 0.00 O ATOM 733 NE2 GLN K 6 -1.990 7.078 -16.810 1.00 0.00 N ATOM 0 H GLN K 6 1.904 4.724 -12.428 1.00 0.00 H new ATOM 0 HA GLN K 6 2.407 5.830 -15.146 1.00 0.00 H new ATOM 0 HB2 GLN K 6 0.086 4.880 -14.887 1.00 0.00 H new ATOM 0 HB3 GLN K 6 -0.171 5.943 -13.518 1.00 0.00 H new ATOM 0 HG2 GLN K 6 0.361 7.925 -15.010 1.00 0.00 H new ATOM 0 HG3 GLN K 6 0.497 6.829 -16.371 1.00 0.00 H new ATOM 0 HE21 GLN K 6 -1.360 7.089 -17.612 1.00 0.00 H new ATOM 0 HE22 GLN K 6 -2.999 7.107 -16.954 1.00 0.00 H new ATOM 742 N ILE K 7 3.335 7.761 -13.904 1.00 0.00 N ATOM 743 CA ILE K 7 3.833 8.985 -13.287 1.00 0.00 C ATOM 744 C ILE K 7 4.477 9.892 -14.338 1.00 0.00 C ATOM 745 O ILE K 7 5.087 10.877 -13.952 1.00 0.00 O ATOM 746 CB ILE K 7 4.847 8.630 -12.181 1.00 0.00 C ATOM 747 CG1 ILE K 7 6.198 8.214 -12.787 1.00 0.00 C ATOM 748 CG2 ILE K 7 4.308 7.473 -11.336 1.00 0.00 C ATOM 749 CD1 ILE K 7 5.993 7.119 -13.838 1.00 0.00 C ATOM 750 OXT ILE K 7 4.339 9.596 -15.514 1.00 0.00 O ATOM 0 H ILE K 7 3.884 7.442 -14.702 1.00 0.00 H new ATOM 0 HA ILE K 7 2.998 9.526 -12.842 1.00 0.00 H new ATOM 0 HB ILE K 7 4.993 9.514 -11.560 1.00 0.00 H new ATOM 0 HG12 ILE K 7 6.682 9.078 -13.242 1.00 0.00 H new ATOM 0 HG13 ILE K 7 6.862 7.854 -12.001 1.00 0.00 H new ATOM 0 HG21 ILE K 7 5.028 7.226 -10.556 1.00 0.00 H new ATOM 0 HG22 ILE K 7 3.363 7.766 -10.878 1.00 0.00 H new ATOM 0 HG23 ILE K 7 4.148 6.602 -11.971 1.00 0.00 H new ATOM 0 HD11 ILE K 7 6.957 6.834 -14.259 1.00 0.00 H new ATOM 0 HD12 ILE K 7 5.529 6.250 -13.372 1.00 0.00 H new ATOM 0 HD13 ILE K 7 5.347 7.493 -14.632 1.00 0.00 H new ATOM 763 N ILE O 1 -4.153 11.373 12.856 1.00 0.00 N ATOM 764 CA ILE O 1 -4.801 10.097 13.271 1.00 0.00 C ATOM 765 C ILE O 1 -3.857 8.933 12.984 1.00 0.00 C ATOM 766 O ILE O 1 -3.307 8.816 11.882 1.00 0.00 O ATOM 767 CB ILE O 1 -6.121 9.916 12.498 1.00 0.00 C ATOM 768 CG1 ILE O 1 -7.110 10.997 12.948 1.00 0.00 C ATOM 769 CG2 ILE O 1 -6.705 8.538 12.798 1.00 0.00 C ATOM 770 CD1 ILE O 1 -8.314 11.032 12.004 1.00 0.00 C ATOM 0 H1 ILE O 1 -4.154 12.039 13.655 1.00 0.00 H new ATOM 0 H2 ILE O 1 -3.173 11.185 12.563 1.00 0.00 H new ATOM 0 H3 ILE O 1 -4.679 11.787 12.060 1.00 0.00 H new ATOM 0 HA ILE O 1 -5.018 10.123 14.339 1.00 0.00 H new ATOM 0 HB ILE O 1 -5.937 10.002 11.427 1.00 0.00 H new ATOM 0 HG12 ILE O 1 -7.442 10.796 13.967 1.00 0.00 H new ATOM 0 HG13 ILE O 1 -6.618 11.970 12.959 1.00 0.00 H new ATOM 0 HG21 ILE O 1 -7.639 8.412 12.250 1.00 0.00 H new ATOM 0 HG22 ILE O 1 -5.997 7.768 12.491 1.00 0.00 H new ATOM 0 HG23 ILE O 1 -6.897 8.449 13.867 1.00 0.00 H new ATOM 0 HD11 ILE O 1 -9.011 11.803 12.332 1.00 0.00 H new ATOM 0 HD12 ILE O 1 -7.976 11.255 10.992 1.00 0.00 H new ATOM 0 HD13 ILE O 1 -8.813 10.063 12.015 1.00 0.00 H new ATOM 784 N HIS O 2 -3.669 8.066 13.981 1.00 0.00 N ATOM 785 CA HIS O 2 -2.810 6.921 13.820 1.00 0.00 C ATOM 786 C HIS O 2 -3.661 5.662 13.870 1.00 0.00 C ATOM 787 O HIS O 2 -4.350 5.412 14.860 1.00 0.00 O ATOM 788 CB HIS O 2 -1.823 6.951 15.006 1.00 0.00 C ATOM 789 CG HIS O 2 -1.133 5.630 15.184 1.00 0.00 C ATOM 790 ND1 HIS O 2 -0.682 5.182 16.429 1.00 0.00 N ATOM 791 CD2 HIS O 2 -0.771 4.672 14.286 1.00 0.00 C ATOM 792 CE1 HIS O 2 -0.078 4.001 16.238 1.00 0.00 C ATOM 793 NE2 HIS O 2 -0.096 3.638 14.957 1.00 0.00 N ATOM 0 H HIS O 2 -4.104 8.146 14.900 1.00 0.00 H new ATOM 0 HA HIS O 2 -2.273 6.935 12.871 1.00 0.00 H new ATOM 0 HB2 HIS O 2 -1.080 7.731 14.842 1.00 0.00 H new ATOM 0 HB3 HIS O 2 -2.359 7.208 15.920 1.00 0.00 H new ATOM 0 HD1 HIS O 2 -0.792 5.666 17.320 1.00 0.00 H new ATOM 0 HD2 HIS O 2 -0.971 4.702 13.225 1.00 0.00 H new ATOM 0 HE1 HIS O 2 0.369 3.415 17.027 1.00 0.00 H new ATOM 800 N VAL O 3 -3.589 4.855 12.813 1.00 0.00 N ATOM 801 CA VAL O 3 -4.340 3.603 12.763 1.00 0.00 C ATOM 802 C VAL O 3 -3.393 2.420 12.649 1.00 0.00 C ATOM 803 O VAL O 3 -2.613 2.347 11.699 1.00 0.00 O ATOM 804 CB VAL O 3 -5.283 3.620 11.567 1.00 0.00 C ATOM 805 CG1 VAL O 3 -6.098 2.321 11.532 1.00 0.00 C ATOM 806 CG2 VAL O 3 -6.227 4.823 11.677 1.00 0.00 C ATOM 0 H VAL O 3 -3.023 5.044 11.986 1.00 0.00 H new ATOM 0 HA VAL O 3 -4.917 3.503 13.682 1.00 0.00 H new ATOM 0 HB VAL O 3 -4.702 3.701 10.649 1.00 0.00 H new ATOM 0 HG11 VAL O 3 -6.771 2.337 10.675 1.00 0.00 H new ATOM 0 HG12 VAL O 3 -5.422 1.470 11.447 1.00 0.00 H new ATOM 0 HG13 VAL O 3 -6.680 2.232 12.449 1.00 0.00 H new ATOM 0 HG21 VAL O 3 -6.902 4.835 10.821 1.00 0.00 H new ATOM 0 HG22 VAL O 3 -6.808 4.747 12.596 1.00 0.00 H new ATOM 0 HG23 VAL O 3 -5.643 5.743 11.692 1.00 0.00 H new ATOM 816 N HIS O 4 -3.473 1.479 13.593 1.00 0.00 N ATOM 817 CA HIS O 4 -2.643 0.298 13.559 1.00 0.00 C ATOM 818 C HIS O 4 -3.483 -0.976 13.447 1.00 0.00 C ATOM 819 O HIS O 4 -4.446 -1.159 14.191 1.00 0.00 O ATOM 820 CB HIS O 4 -1.756 0.294 14.819 1.00 0.00 C ATOM 821 CG HIS O 4 -0.514 -0.515 14.569 1.00 0.00 C ATOM 822 ND1 HIS O 4 0.785 0.025 14.539 1.00 0.00 N ATOM 823 CD2 HIS O 4 -0.374 -1.840 14.343 1.00 0.00 C ATOM 824 CE1 HIS O 4 1.629 -0.990 14.299 1.00 0.00 C ATOM 825 NE2 HIS O 4 0.977 -2.151 14.174 1.00 0.00 N ATOM 0 H HIS O 4 -4.110 1.523 14.388 1.00 0.00 H new ATOM 0 HA HIS O 4 -2.010 0.318 12.672 1.00 0.00 H new ATOM 0 HB2 HIS O 4 -1.487 1.315 15.088 1.00 0.00 H new ATOM 0 HB3 HIS O 4 -2.308 -0.122 15.661 1.00 0.00 H new ATOM 0 HD2 HIS O 4 -1.185 -2.552 14.300 1.00 0.00 H new ATOM 0 HE1 HIS O 4 2.701 -0.883 14.217 1.00 0.00 H new ATOM 0 HE2 HIS O 4 1.381 -3.070 13.993 1.00 0.00 H new ATOM 833 N LEU O 5 -3.110 -1.858 12.514 1.00 0.00 N ATOM 834 CA LEU O 5 -3.830 -3.123 12.307 1.00 0.00 C ATOM 835 C LEU O 5 -2.862 -4.298 12.284 1.00 0.00 C ATOM 836 O LEU O 5 -1.890 -4.301 11.529 1.00 0.00 O ATOM 837 CB LEU O 5 -4.580 -3.046 10.976 1.00 0.00 C ATOM 838 CG LEU O 5 -5.821 -2.152 11.125 1.00 0.00 C ATOM 839 CD1 LEU O 5 -6.251 -1.669 9.745 1.00 0.00 C ATOM 840 CD2 LEU O 5 -6.985 -2.954 11.732 1.00 0.00 C ATOM 0 H LEU O 5 -2.315 -1.721 11.890 1.00 0.00 H new ATOM 0 HA LEU O 5 -4.530 -3.276 13.128 1.00 0.00 H new ATOM 0 HB2 LEU O 5 -3.925 -2.647 10.202 1.00 0.00 H new ATOM 0 HB3 LEU O 5 -4.877 -4.045 10.658 1.00 0.00 H new ATOM 0 HG LEU O 5 -5.574 -1.312 11.774 1.00 0.00 H new ATOM 0 HD11 LEU O 5 -7.131 -1.033 9.840 1.00 0.00 H new ATOM 0 HD12 LEU O 5 -5.440 -1.100 9.290 1.00 0.00 H new ATOM 0 HD13 LEU O 5 -6.489 -2.527 9.117 1.00 0.00 H new ATOM 0 HD21 LEU O 5 -7.858 -2.309 11.832 1.00 0.00 H new ATOM 0 HD22 LEU O 5 -7.227 -3.794 11.080 1.00 0.00 H new ATOM 0 HD23 LEU O 5 -6.696 -3.328 12.714 1.00 0.00 H new ATOM 852 N GLN O 6 -3.158 -5.309 13.094 1.00 0.00 N ATOM 853 CA GLN O 6 -2.334 -6.512 13.146 1.00 0.00 C ATOM 854 C GLN O 6 -3.247 -7.727 13.050 1.00 0.00 C ATOM 855 O GLN O 6 -3.961 -8.055 13.998 1.00 0.00 O ATOM 856 CB GLN O 6 -1.541 -6.545 14.451 1.00 0.00 C ATOM 857 CG GLN O 6 -0.539 -7.693 14.395 1.00 0.00 C ATOM 858 CD GLN O 6 0.199 -7.811 15.722 1.00 0.00 C ATOM 859 OE1 GLN O 6 -0.422 -7.798 16.785 1.00 0.00 O ATOM 860 NE2 GLN O 6 1.499 -7.917 15.720 1.00 0.00 N ATOM 0 H GLN O 6 -3.961 -5.320 13.723 1.00 0.00 H new ATOM 0 HA GLN O 6 -1.626 -6.518 12.317 1.00 0.00 H new ATOM 0 HB2 GLN O 6 -1.021 -5.599 14.599 1.00 0.00 H new ATOM 0 HB3 GLN O 6 -2.215 -6.675 15.298 1.00 0.00 H new ATOM 0 HG2 GLN O 6 -1.056 -8.627 14.174 1.00 0.00 H new ATOM 0 HG3 GLN O 6 0.174 -7.524 13.588 1.00 0.00 H new ATOM 0 HE21 GLN O 6 2.008 -7.927 14.836 1.00 0.00 H new ATOM 0 HE22 GLN O 6 2.006 -7.990 16.602 1.00 0.00 H new ATOM 869 N ILE O 7 -3.229 -8.384 11.891 1.00 0.00 N ATOM 870 CA ILE O 7 -4.080 -9.557 11.659 1.00 0.00 C ATOM 871 C ILE O 7 -3.239 -10.710 11.122 1.00 0.00 C ATOM 872 O ILE O 7 -3.153 -10.840 9.914 1.00 0.00 O ATOM 873 CB ILE O 7 -5.182 -9.211 10.642 1.00 0.00 C ATOM 874 CG1 ILE O 7 -5.929 -7.961 11.099 1.00 0.00 C ATOM 875 CG2 ILE O 7 -6.177 -10.363 10.548 1.00 0.00 C ATOM 876 CD1 ILE O 7 -6.857 -7.485 9.981 1.00 0.00 C ATOM 877 OXT ILE O 7 -2.686 -11.439 11.930 1.00 0.00 O ATOM 0 H ILE O 7 -2.639 -8.128 11.100 1.00 0.00 H new ATOM 0 HA ILE O 7 -4.538 -9.853 12.603 1.00 0.00 H new ATOM 0 HB ILE O 7 -4.721 -9.037 9.670 1.00 0.00 H new ATOM 0 HG12 ILE O 7 -6.506 -8.177 11.998 1.00 0.00 H new ATOM 0 HG13 ILE O 7 -5.220 -7.175 11.357 1.00 0.00 H new ATOM 0 HG21 ILE O 7 -6.955 -10.114 9.827 1.00 0.00 H new ATOM 0 HG22 ILE O 7 -5.659 -11.266 10.225 1.00 0.00 H new ATOM 0 HG23 ILE O 7 -6.629 -10.534 11.525 1.00 0.00 H new ATOM 0 HD11 ILE O 7 -7.391 -6.592 10.307 1.00 0.00 H new ATOM 0 HD12 ILE O 7 -6.268 -7.252 9.094 1.00 0.00 H new ATOM 0 HD13 ILE O 7 -7.574 -8.271 9.744 1.00 0.00 H new ATOM 890 N ILE Q 1 -1.676 11.492 8.720 1.00 0.00 N ATOM 891 CA ILE Q 1 -2.273 10.182 9.106 1.00 0.00 C ATOM 892 C ILE Q 1 -1.235 9.083 8.906 1.00 0.00 C ATOM 893 O ILE Q 1 -0.678 8.929 7.810 1.00 0.00 O ATOM 894 CB ILE Q 1 -3.507 9.900 8.225 1.00 0.00 C ATOM 895 CG1 ILE Q 1 -4.532 11.021 8.426 1.00 0.00 C ATOM 896 CG2 ILE Q 1 -4.132 8.565 8.629 1.00 0.00 C ATOM 897 CD1 ILE Q 1 -5.614 10.925 7.350 1.00 0.00 C ATOM 0 H1 ILE Q 1 -2.097 12.249 9.296 1.00 0.00 H new ATOM 0 H2 ILE Q 1 -0.649 11.466 8.880 1.00 0.00 H new ATOM 0 H3 ILE Q 1 -1.865 11.677 7.714 1.00 0.00 H new ATOM 0 HA ILE Q 1 -2.579 10.209 10.152 1.00 0.00 H new ATOM 0 HB ILE Q 1 -3.206 9.856 7.178 1.00 0.00 H new ATOM 0 HG12 ILE Q 1 -4.981 10.943 9.416 1.00 0.00 H new ATOM 0 HG13 ILE Q 1 -4.039 11.992 8.375 1.00 0.00 H new ATOM 0 HG21 ILE Q 1 -5.004 8.368 8.005 1.00 0.00 H new ATOM 0 HG22 ILE Q 1 -3.402 7.766 8.496 1.00 0.00 H new ATOM 0 HG23 ILE Q 1 -4.436 8.607 9.675 1.00 0.00 H new ATOM 0 HD11 ILE Q 1 -6.342 11.723 7.494 1.00 0.00 H new ATOM 0 HD12 ILE Q 1 -5.158 11.024 6.365 1.00 0.00 H new ATOM 0 HD13 ILE Q 1 -6.115 9.959 7.422 1.00 0.00 H new ATOM 911 N HIS Q 2 -0.979 8.299 9.953 1.00 0.00 N ATOM 912 CA HIS Q 2 -0.029 7.190 9.822 1.00 0.00 C ATOM 913 C HIS Q 2 -0.809 5.889 9.920 1.00 0.00 C ATOM 914 O HIS Q 2 -1.474 5.640 10.927 1.00 0.00 O ATOM 915 CB HIS Q 2 1.018 7.263 10.956 1.00 0.00 C ATOM 916 CG HIS Q 2 2.205 8.094 10.530 1.00 0.00 C ATOM 917 ND1 HIS Q 2 3.491 7.574 10.477 1.00 0.00 N ATOM 918 CD2 HIS Q 2 2.317 9.407 10.138 1.00 0.00 C ATOM 919 CE1 HIS Q 2 4.311 8.560 10.066 1.00 0.00 C ATOM 920 NE2 HIS Q 2 3.646 9.697 9.846 1.00 0.00 N ATOM 0 H HIS Q 2 -1.401 8.403 10.876 1.00 0.00 H new ATOM 0 HA HIS Q 2 0.492 7.246 8.866 1.00 0.00 H new ATOM 0 HB2 HIS Q 2 0.566 7.695 11.849 1.00 0.00 H new ATOM 0 HB3 HIS Q 2 1.347 6.258 11.220 1.00 0.00 H new ATOM 0 HD2 HIS Q 2 1.498 10.107 10.067 1.00 0.00 H new ATOM 0 HE1 HIS Q 2 5.376 8.445 9.931 1.00 0.00 H new ATOM 0 HE2 HIS Q 2 4.030 10.588 9.531 1.00 0.00 H new ATOM 928 N VAL Q 3 -0.704 5.042 8.895 1.00 0.00 N ATOM 929 CA VAL Q 3 -1.388 3.752 8.916 1.00 0.00 C ATOM 930 C VAL Q 3 -0.357 2.629 8.887 1.00 0.00 C ATOM 931 O VAL Q 3 0.475 2.572 7.973 1.00 0.00 O ATOM 932 CB VAL Q 3 -2.331 3.638 7.718 1.00 0.00 C ATOM 933 CG1 VAL Q 3 -3.210 2.391 7.874 1.00 0.00 C ATOM 934 CG2 VAL Q 3 -3.210 4.891 7.633 1.00 0.00 C ATOM 0 H VAL Q 3 -0.160 5.224 8.052 1.00 0.00 H new ATOM 0 HA VAL Q 3 -1.978 3.671 9.829 1.00 0.00 H new ATOM 0 HB VAL Q 3 -1.746 3.551 6.802 1.00 0.00 H new ATOM 0 HG11 VAL Q 3 -3.882 2.310 7.020 1.00 0.00 H new ATOM 0 HG12 VAL Q 3 -2.578 1.504 7.924 1.00 0.00 H new ATOM 0 HG13 VAL Q 3 -3.796 2.471 8.790 1.00 0.00 H new ATOM 0 HG21 VAL Q 3 -3.881 4.807 6.778 1.00 0.00 H new ATOM 0 HG22 VAL Q 3 -3.796 4.987 8.547 1.00 0.00 H new ATOM 0 HG23 VAL Q 3 -2.578 5.771 7.513 1.00 0.00 H new ATOM 944 N HIS Q 4 -0.428 1.720 9.853 1.00 0.00 N ATOM 945 CA HIS Q 4 0.493 0.577 9.888 1.00 0.00 C ATOM 946 C HIS Q 4 -0.321 -0.713 9.773 1.00 0.00 C ATOM 947 O HIS Q 4 -1.284 -0.898 10.519 1.00 0.00 O ATOM 948 CB HIS Q 4 1.303 0.595 11.214 1.00 0.00 C ATOM 949 CG HIS Q 4 2.004 1.942 11.447 1.00 0.00 C ATOM 950 ND1 HIS Q 4 2.023 2.572 12.701 1.00 0.00 N ATOM 951 CD2 HIS Q 4 2.724 2.781 10.613 1.00 0.00 C ATOM 952 CE1 HIS Q 4 2.720 3.716 12.576 1.00 0.00 C ATOM 953 NE2 HIS Q 4 3.169 3.894 11.329 1.00 0.00 N ATOM 0 H HIS Q 4 -1.104 1.746 10.617 1.00 0.00 H new ATOM 0 HA HIS Q 4 1.196 0.636 9.057 1.00 0.00 H new ATOM 0 HB2 HIS Q 4 0.634 0.386 12.049 1.00 0.00 H new ATOM 0 HB3 HIS Q 4 2.047 -0.201 11.194 1.00 0.00 H new ATOM 0 HD1 HIS Q 4 1.586 2.225 13.555 1.00 0.00 H new ATOM 0 HD2 HIS Q 4 2.913 2.601 9.565 1.00 0.00 H new ATOM 0 HE1 HIS Q 4 2.896 4.408 13.386 1.00 0.00 H new ATOM 960 N LEU Q 5 0.053 -1.608 8.847 1.00 0.00 N ATOM 961 CA LEU Q 5 -0.683 -2.870 8.672 1.00 0.00 C ATOM 962 C LEU Q 5 0.251 -4.071 8.592 1.00 0.00 C ATOM 963 O LEU Q 5 1.080 -4.179 7.674 1.00 0.00 O ATOM 964 CB LEU Q 5 -1.512 -2.803 7.396 1.00 0.00 C ATOM 965 CG LEU Q 5 -2.312 -1.475 7.341 1.00 0.00 C ATOM 966 CD1 LEU Q 5 -1.532 -0.400 6.563 1.00 0.00 C ATOM 967 CD2 LEU Q 5 -3.663 -1.699 6.651 1.00 0.00 C ATOM 0 H LEU Q 5 0.846 -1.486 8.218 1.00 0.00 H new ATOM 0 HA LEU Q 5 -1.326 -2.998 9.543 1.00 0.00 H new ATOM 0 HB2 LEU Q 5 -0.859 -2.878 6.526 1.00 0.00 H new ATOM 0 HB3 LEU Q 5 -2.197 -3.650 7.355 1.00 0.00 H new ATOM 0 HG LEU Q 5 -2.469 -1.137 8.365 1.00 0.00 H new ATOM 0 HD11 LEU Q 5 -2.112 0.523 6.537 1.00 0.00 H new ATOM 0 HD12 LEU Q 5 -0.577 -0.215 7.056 1.00 0.00 H new ATOM 0 HD13 LEU Q 5 -1.354 -0.745 5.545 1.00 0.00 H new ATOM 0 HD21 LEU Q 5 -4.215 -0.760 6.619 1.00 0.00 H new ATOM 0 HD22 LEU Q 5 -3.498 -2.058 5.635 1.00 0.00 H new ATOM 0 HD23 LEU Q 5 -4.238 -2.439 7.208 1.00 0.00 H new ATOM 979 N GLN Q 6 0.076 -4.998 9.530 1.00 0.00 N ATOM 980 CA GLN Q 6 0.866 -6.220 9.555 1.00 0.00 C ATOM 981 C GLN Q 6 -0.065 -7.416 9.454 1.00 0.00 C ATOM 982 O GLN Q 6 -0.769 -7.751 10.408 1.00 0.00 O ATOM 983 CB GLN Q 6 1.676 -6.279 10.847 1.00 0.00 C ATOM 984 CG GLN Q 6 2.570 -7.515 10.827 1.00 0.00 C ATOM 985 CD GLN Q 6 3.331 -7.641 12.138 1.00 0.00 C ATOM 986 OE1 GLN Q 6 2.727 -7.743 13.207 1.00 0.00 O ATOM 987 NE2 GLN Q 6 4.635 -7.641 12.112 1.00 0.00 N ATOM 0 H GLN Q 6 -0.608 -4.923 10.283 1.00 0.00 H new ATOM 0 HA GLN Q 6 1.557 -6.235 8.712 1.00 0.00 H new ATOM 0 HB2 GLN Q 6 2.283 -5.379 10.951 1.00 0.00 H new ATOM 0 HB3 GLN Q 6 1.008 -6.314 11.707 1.00 0.00 H new ATOM 0 HG2 GLN Q 6 1.965 -8.407 10.663 1.00 0.00 H new ATOM 0 HG3 GLN Q 6 3.273 -7.450 9.996 1.00 0.00 H new ATOM 0 HE21 GLN Q 6 5.127 -7.556 11.223 1.00 0.00 H new ATOM 0 HE22 GLN Q 6 5.162 -7.726 12.981 1.00 0.00 H new ATOM 996 N ILE Q 7 -0.056 -8.051 8.284 1.00 0.00 N ATOM 997 CA ILE Q 7 -0.903 -9.206 8.030 1.00 0.00 C ATOM 998 C ILE Q 7 -0.231 -10.156 7.042 1.00 0.00 C ATOM 999 O ILE Q 7 -0.936 -10.931 6.418 1.00 0.00 O ATOM 1000 CB ILE Q 7 -2.274 -8.747 7.498 1.00 0.00 C ATOM 1001 CG1 ILE Q 7 -2.156 -8.175 6.075 1.00 0.00 C ATOM 1002 CG2 ILE Q 7 -2.863 -7.679 8.424 1.00 0.00 C ATOM 1003 CD1 ILE Q 7 -1.152 -7.013 6.030 1.00 0.00 C ATOM 1004 OXT ILE Q 7 0.984 -10.104 6.937 1.00 0.00 O ATOM 0 H ILE Q 7 0.533 -7.781 7.496 1.00 0.00 H new ATOM 0 HA ILE Q 7 -1.055 -9.743 8.966 1.00 0.00 H new ATOM 0 HB ILE Q 7 -2.930 -9.617 7.470 1.00 0.00 H new ATOM 0 HG12 ILE Q 7 -1.840 -8.960 5.389 1.00 0.00 H new ATOM 0 HG13 ILE Q 7 -3.133 -7.830 5.736 1.00 0.00 H new ATOM 0 HG21 ILE Q 7 -3.832 -7.360 8.041 1.00 0.00 H new ATOM 0 HG22 ILE Q 7 -2.987 -8.093 9.425 1.00 0.00 H new ATOM 0 HG23 ILE Q 7 -2.190 -6.823 8.466 1.00 0.00 H new ATOM 0 HD11 ILE Q 7 -1.088 -6.627 5.013 1.00 0.00 H new ATOM 0 HD12 ILE Q 7 -1.484 -6.219 6.699 1.00 0.00 H new ATOM 0 HD13 ILE Q 7 -0.171 -7.367 6.346 1.00 0.00 H new ATOM 1017 N ILE S 1 1.511 11.518 4.899 1.00 0.00 N ATOM 1018 CA ILE S 1 0.838 10.237 5.257 1.00 0.00 C ATOM 1019 C ILE S 1 1.820 9.090 5.082 1.00 0.00 C ATOM 1020 O ILE S 1 2.473 8.973 4.039 1.00 0.00 O ATOM 1021 CB ILE S 1 -0.386 10.032 4.355 1.00 0.00 C ATOM 1022 CG1 ILE S 1 -1.428 11.101 4.701 1.00 0.00 C ATOM 1023 CG2 ILE S 1 -0.976 8.637 4.574 1.00 0.00 C ATOM 1024 CD1 ILE S 1 -2.553 11.089 3.669 1.00 0.00 C ATOM 0 H1 ILE S 1 1.032 12.307 5.378 1.00 0.00 H new ATOM 0 H2 ILE S 1 2.506 11.483 5.199 1.00 0.00 H new ATOM 0 H3 ILE S 1 1.465 11.659 3.870 1.00 0.00 H new ATOM 0 HA ILE S 1 0.508 10.269 6.295 1.00 0.00 H new ATOM 0 HB ILE S 1 -0.093 10.120 3.309 1.00 0.00 H new ATOM 0 HG12 ILE S 1 -1.834 10.916 5.695 1.00 0.00 H new ATOM 0 HG13 ILE S 1 -0.958 12.084 4.727 1.00 0.00 H new ATOM 0 HG21 ILE S 1 -1.844 8.504 3.928 1.00 0.00 H new ATOM 0 HG22 ILE S 1 -0.226 7.883 4.334 1.00 0.00 H new ATOM 0 HG23 ILE S 1 -1.279 8.529 5.616 1.00 0.00 H new ATOM 0 HD11 ILE S 1 -3.288 11.852 3.924 1.00 0.00 H new ATOM 0 HD12 ILE S 1 -2.142 11.296 2.681 1.00 0.00 H new ATOM 0 HD13 ILE S 1 -3.032 10.110 3.665 1.00 0.00 H new ATOM 1038 N HIS S 2 1.920 8.230 6.102 1.00 0.00 N ATOM 1039 CA HIS S 2 2.818 7.097 6.025 1.00 0.00 C ATOM 1040 C HIS S 2 1.999 5.820 5.990 1.00 0.00 C ATOM 1041 O HIS S 2 1.225 5.552 6.909 1.00 0.00 O ATOM 1042 CB HIS S 2 3.689 7.118 7.298 1.00 0.00 C ATOM 1043 CG HIS S 2 4.404 5.808 7.492 1.00 0.00 C ATOM 1044 ND1 HIS S 2 4.703 5.278 8.757 1.00 0.00 N ATOM 1045 CD2 HIS S 2 4.917 4.926 6.589 1.00 0.00 C ATOM 1046 CE1 HIS S 2 5.371 4.132 8.565 1.00 0.00 C ATOM 1047 NE2 HIS S 2 5.533 3.863 7.272 1.00 0.00 N ATOM 0 H HIS S 2 1.395 8.303 6.973 1.00 0.00 H new ATOM 0 HA HIS S 2 3.440 7.144 5.131 1.00 0.00 H new ATOM 0 HB2 HIS S 2 4.418 7.926 7.230 1.00 0.00 H new ATOM 0 HB3 HIS S 2 3.063 7.326 8.166 1.00 0.00 H new ATOM 0 HD1 HIS S 2 4.457 5.690 9.657 1.00 0.00 H new ATOM 0 HD2 HIS S 2 4.859 5.028 5.515 1.00 0.00 H new ATOM 0 HE1 HIS S 2 5.734 3.502 9.364 1.00 0.00 H new ATOM 1054 N VAL S 3 2.194 5.016 4.946 1.00 0.00 N ATOM 1055 CA VAL S 3 1.486 3.746 4.833 1.00 0.00 C ATOM 1056 C VAL S 3 2.464 2.589 4.815 1.00 0.00 C ATOM 1057 O VAL S 3 3.322 2.527 3.932 1.00 0.00 O ATOM 1058 CB VAL S 3 0.677 3.735 3.549 1.00 0.00 C ATOM 1059 CG1 VAL S 3 -0.088 2.417 3.446 1.00 0.00 C ATOM 1060 CG2 VAL S 3 -0.293 4.918 3.553 1.00 0.00 C ATOM 0 H VAL S 3 2.830 5.220 4.175 1.00 0.00 H new ATOM 0 HA VAL S 3 0.827 3.636 5.694 1.00 0.00 H new ATOM 0 HB VAL S 3 1.340 3.826 2.689 1.00 0.00 H new ATOM 0 HG11 VAL S 3 -0.670 2.405 2.525 1.00 0.00 H new ATOM 0 HG12 VAL S 3 0.618 1.586 3.440 1.00 0.00 H new ATOM 0 HG13 VAL S 3 -0.758 2.317 4.300 1.00 0.00 H new ATOM 0 HG21 VAL S 3 -0.876 4.914 2.632 1.00 0.00 H new ATOM 0 HG22 VAL S 3 -0.964 4.835 4.408 1.00 0.00 H new ATOM 0 HG23 VAL S 3 0.269 5.849 3.622 1.00 0.00 H new ATOM 1070 N HIS S 4 2.327 1.647 5.757 1.00 0.00 N ATOM 1071 CA HIS S 4 3.189 0.486 5.793 1.00 0.00 C ATOM 1072 C HIS S 4 2.391 -0.807 5.622 1.00 0.00 C ATOM 1073 O HIS S 4 1.380 -1.016 6.296 1.00 0.00 O ATOM 1074 CB HIS S 4 3.975 0.504 7.115 1.00 0.00 C ATOM 1075 CG HIS S 4 5.241 -0.295 6.971 1.00 0.00 C ATOM 1076 ND1 HIS S 4 6.534 0.261 7.010 1.00 0.00 N ATOM 1077 CD2 HIS S 4 5.410 -1.625 6.806 1.00 0.00 C ATOM 1078 CE1 HIS S 4 7.403 -0.753 6.871 1.00 0.00 C ATOM 1079 NE2 HIS S 4 6.773 -1.926 6.745 1.00 0.00 N ATOM 0 H HIS S 4 1.626 1.677 6.497 1.00 0.00 H new ATOM 0 HA HIS S 4 3.889 0.522 4.959 1.00 0.00 H new ATOM 0 HB2 HIS S 4 4.213 1.531 7.392 1.00 0.00 H new ATOM 0 HB3 HIS S 4 3.363 0.091 7.917 1.00 0.00 H new ATOM 0 HD2 HIS S 4 4.611 -2.348 6.732 1.00 0.00 H new ATOM 0 HE1 HIS S 4 8.477 -0.636 6.862 1.00 0.00 H new ATOM 0 HE2 HIS S 4 7.198 -2.846 6.629 1.00 0.00 H new ATOM 1087 N LEU S 5 2.853 -1.676 4.718 1.00 0.00 N ATOM 1088 CA LEU S 5 2.180 -2.954 4.456 1.00 0.00 C ATOM 1089 C LEU S 5 3.154 -4.119 4.505 1.00 0.00 C ATOM 1090 O LEU S 5 4.157 -4.129 3.788 1.00 0.00 O ATOM 1091 CB LEU S 5 1.550 -2.882 3.062 1.00 0.00 C ATOM 1092 CG LEU S 5 0.259 -2.056 3.112 1.00 0.00 C ATOM 1093 CD1 LEU S 5 -0.060 -1.532 1.715 1.00 0.00 C ATOM 1094 CD2 LEU S 5 -0.898 -2.952 3.558 1.00 0.00 C ATOM 0 H LEU S 5 3.689 -1.519 4.155 1.00 0.00 H new ATOM 0 HA LEU S 5 1.424 -3.120 5.224 1.00 0.00 H new ATOM 0 HB2 LEU S 5 2.252 -2.433 2.359 1.00 0.00 H new ATOM 0 HB3 LEU S 5 1.335 -3.887 2.699 1.00 0.00 H new ATOM 0 HG LEU S 5 0.390 -1.228 3.808 1.00 0.00 H new ATOM 0 HD11 LEU S 5 -0.977 -0.944 1.748 1.00 0.00 H new ATOM 0 HD12 LEU S 5 0.760 -0.905 1.365 1.00 0.00 H new ATOM 0 HD13 LEU S 5 -0.191 -2.372 1.033 1.00 0.00 H new ATOM 0 HD21 LEU S 5 -1.817 -2.368 3.595 1.00 0.00 H new ATOM 0 HD22 LEU S 5 -1.017 -3.772 2.850 1.00 0.00 H new ATOM 0 HD23 LEU S 5 -0.685 -3.356 4.548 1.00 0.00 H new ATOM 1106 N GLN S 6 2.831 -5.120 5.319 1.00 0.00 N ATOM 1107 CA GLN S 6 3.667 -6.314 5.416 1.00 0.00 C ATOM 1108 C GLN S 6 2.790 -7.551 5.266 1.00 0.00 C ATOM 1109 O GLN S 6 2.057 -7.911 6.185 1.00 0.00 O ATOM 1110 CB GLN S 6 4.384 -6.330 6.765 1.00 0.00 C ATOM 1111 CG GLN S 6 5.400 -7.470 6.785 1.00 0.00 C ATOM 1112 CD GLN S 6 6.065 -7.564 8.154 1.00 0.00 C ATOM 1113 OE1 GLN S 6 5.391 -7.547 9.182 1.00 0.00 O ATOM 1114 NE2 GLN S 6 7.362 -7.655 8.226 1.00 0.00 N ATOM 0 H GLN S 6 2.004 -5.130 5.916 1.00 0.00 H new ATOM 0 HA GLN S 6 4.416 -6.309 4.624 1.00 0.00 H new ATOM 0 HB2 GLN S 6 4.886 -5.377 6.934 1.00 0.00 H new ATOM 0 HB3 GLN S 6 3.662 -6.457 7.572 1.00 0.00 H new ATOM 0 HG2 GLN S 6 4.904 -8.412 6.549 1.00 0.00 H new ATOM 0 HG3 GLN S 6 6.156 -7.306 6.017 1.00 0.00 H new ATOM 0 HE21 GLN S 6 7.920 -7.669 7.373 1.00 0.00 H new ATOM 0 HE22 GLN S 6 7.820 -7.712 9.136 1.00 0.00 H new ATOM 1123 N ILE S 7 2.862 -8.191 4.093 1.00 0.00 N ATOM 1124 CA ILE S 7 2.051 -9.385 3.818 1.00 0.00 C ATOM 1125 C ILE S 7 2.957 -10.544 3.411 1.00 0.00 C ATOM 1126 O ILE S 7 3.108 -10.762 2.221 1.00 0.00 O ATOM 1127 CB ILE S 7 1.046 -9.098 2.680 1.00 0.00 C ATOM 1128 CG1 ILE S 7 0.261 -7.829 2.989 1.00 0.00 C ATOM 1129 CG2 ILE S 7 0.066 -10.256 2.570 1.00 0.00 C ATOM 1130 CD1 ILE S 7 -0.546 -7.404 1.766 1.00 0.00 C ATOM 1131 OXT ILE S 7 3.494 -11.191 4.296 1.00 0.00 O ATOM 0 H ILE S 7 3.468 -7.906 3.324 1.00 0.00 H new ATOM 0 HA ILE S 7 1.503 -9.650 4.722 1.00 0.00 H new ATOM 0 HB ILE S 7 1.594 -8.975 1.746 1.00 0.00 H new ATOM 0 HG12 ILE S 7 -0.406 -8.001 3.834 1.00 0.00 H new ATOM 0 HG13 ILE S 7 0.944 -7.031 3.280 1.00 0.00 H new ATOM 0 HG21 ILE S 7 -0.644 -10.056 1.768 1.00 0.00 H new ATOM 0 HG22 ILE S 7 0.611 -11.174 2.352 1.00 0.00 H new ATOM 0 HG23 ILE S 7 -0.472 -10.368 3.511 1.00 0.00 H new ATOM 0 HD11 ILE S 7 -1.104 -6.496 1.996 1.00 0.00 H new ATOM 0 HD12 ILE S 7 0.130 -7.213 0.932 1.00 0.00 H new ATOM 0 HD13 ILE S 7 -1.241 -8.198 1.495 1.00 0.00 H new ATOM 1144 N ILE U 1 3.898 11.643 0.689 1.00 0.00 N ATOM 1145 CA ILE U 1 3.307 10.321 1.041 1.00 0.00 C ATOM 1146 C ILE U 1 4.373 9.244 0.886 1.00 0.00 C ATOM 1147 O ILE U 1 4.940 9.069 -0.200 1.00 0.00 O ATOM 1148 CB ILE U 1 2.135 10.021 0.092 1.00 0.00 C ATOM 1149 CG1 ILE U 1 1.086 11.124 0.234 1.00 0.00 C ATOM 1150 CG2 ILE U 1 1.510 8.673 0.458 1.00 0.00 C ATOM 1151 CD1 ILE U 1 0.082 11.025 -0.913 1.00 0.00 C ATOM 0 H1 ILE U 1 3.402 12.395 1.209 1.00 0.00 H new ATOM 0 H2 ILE U 1 4.906 11.652 0.945 1.00 0.00 H new ATOM 0 H3 ILE U 1 3.799 11.806 -0.333 1.00 0.00 H new ATOM 0 HA ILE U 1 2.947 10.337 2.070 1.00 0.00 H new ATOM 0 HB ILE U 1 2.495 9.982 -0.936 1.00 0.00 H new ATOM 0 HG12 ILE U 1 0.572 11.030 1.190 1.00 0.00 H new ATOM 0 HG13 ILE U 1 1.568 12.102 0.226 1.00 0.00 H new ATOM 0 HG21 ILE U 1 0.679 8.462 -0.216 1.00 0.00 H new ATOM 0 HG22 ILE U 1 2.260 7.887 0.366 1.00 0.00 H new ATOM 0 HG23 ILE U 1 1.145 8.708 1.484 1.00 0.00 H new ATOM 0 HD11 ILE U 1 -0.666 11.812 -0.811 1.00 0.00 H new ATOM 0 HD12 ILE U 1 0.603 11.140 -1.863 1.00 0.00 H new ATOM 0 HD13 ILE U 1 -0.409 10.052 -0.884 1.00 0.00 H new ATOM 1165 N HIS U 2 4.640 8.497 1.960 1.00 0.00 N ATOM 1166 CA HIS U 2 5.620 7.411 1.875 1.00 0.00 C ATOM 1167 C HIS U 2 4.871 6.093 1.979 1.00 0.00 C ATOM 1168 O HIS U 2 4.181 5.847 2.970 1.00 0.00 O ATOM 1169 CB HIS U 2 6.627 7.530 3.040 1.00 0.00 C ATOM 1170 CG HIS U 2 7.816 8.361 2.635 1.00 0.00 C ATOM 1171 ND1 HIS U 2 9.106 7.853 2.644 1.00 0.00 N ATOM 1172 CD2 HIS U 2 7.928 9.663 2.212 1.00 0.00 C ATOM 1173 CE1 HIS U 2 9.931 8.835 2.241 1.00 0.00 C ATOM 1174 NE2 HIS U 2 9.265 9.960 1.966 1.00 0.00 N ATOM 0 H HIS U 2 4.205 8.618 2.875 1.00 0.00 H new ATOM 0 HA HIS U 2 6.165 7.464 0.933 1.00 0.00 H new ATOM 0 HB2 HIS U 2 6.139 7.981 3.904 1.00 0.00 H new ATOM 0 HB3 HIS U 2 6.958 6.537 3.344 1.00 0.00 H new ATOM 0 HD2 HIS U 2 7.104 10.351 2.089 1.00 0.00 H new ATOM 0 HE1 HIS U 2 11.002 8.728 2.151 1.00 0.00 H new ATOM 0 HE2 HIS U 2 9.653 10.847 1.645 1.00 0.00 H new ATOM 1182 N VAL U 3 5.031 5.231 0.974 1.00 0.00 N ATOM 1183 CA VAL U 3 4.379 3.925 0.996 1.00 0.00 C ATOM 1184 C VAL U 3 5.439 2.830 1.023 1.00 0.00 C ATOM 1185 O VAL U 3 6.301 2.783 0.140 1.00 0.00 O ATOM 1186 CB VAL U 3 3.489 3.765 -0.238 1.00 0.00 C ATOM 1187 CG1 VAL U 3 2.642 2.494 -0.100 1.00 0.00 C ATOM 1188 CG2 VAL U 3 2.578 4.989 -0.375 1.00 0.00 C ATOM 0 H VAL U 3 5.599 5.411 0.146 1.00 0.00 H new ATOM 0 HA VAL U 3 3.757 3.846 1.888 1.00 0.00 H new ATOM 0 HB VAL U 3 4.112 3.683 -1.128 1.00 0.00 H new ATOM 0 HG11 VAL U 3 2.009 2.382 -0.980 1.00 0.00 H new ATOM 0 HG12 VAL U 3 3.298 1.628 -0.012 1.00 0.00 H new ATOM 0 HG13 VAL U 3 2.017 2.568 0.790 1.00 0.00 H new ATOM 0 HG21 VAL U 3 1.944 4.874 -1.254 1.00 0.00 H new ATOM 0 HG22 VAL U 3 1.953 5.079 0.514 1.00 0.00 H new ATOM 0 HG23 VAL U 3 3.188 5.886 -0.482 1.00 0.00 H new ATOM 1198 N HIS U 4 5.360 1.932 2.000 1.00 0.00 N ATOM 1199 CA HIS U 4 6.313 0.819 2.082 1.00 0.00 C ATOM 1200 C HIS U 4 5.545 -0.499 1.947 1.00 0.00 C ATOM 1201 O HIS U 4 4.564 -0.709 2.661 1.00 0.00 O ATOM 1202 CB HIS U 4 7.069 0.870 3.442 1.00 0.00 C ATOM 1203 CG HIS U 4 7.714 2.239 3.696 1.00 0.00 C ATOM 1204 ND1 HIS U 4 7.673 2.872 4.950 1.00 0.00 N ATOM 1205 CD2 HIS U 4 8.432 3.098 2.883 1.00 0.00 C ATOM 1206 CE1 HIS U 4 8.336 4.037 4.840 1.00 0.00 C ATOM 1207 NE2 HIS U 4 8.817 4.226 3.607 1.00 0.00 N ATOM 0 H HIS U 4 4.657 1.947 2.739 1.00 0.00 H new ATOM 0 HA HIS U 4 7.046 0.896 1.279 1.00 0.00 H new ATOM 0 HB2 HIS U 4 6.374 0.642 4.251 1.00 0.00 H new ATOM 0 HB3 HIS U 4 7.839 0.099 3.457 1.00 0.00 H new ATOM 0 HD1 HIS U 4 7.222 2.513 5.791 1.00 0.00 H new ATOM 0 HD2 HIS U 4 8.660 2.921 1.842 1.00 0.00 H new ATOM 0 HE1 HIS U 4 8.465 4.737 5.652 1.00 0.00 H new ATOM 1214 N LEU U 5 5.980 -1.387 1.041 1.00 0.00 N ATOM 1215 CA LEU U 5 5.292 -2.678 0.848 1.00 0.00 C ATOM 1216 C LEU U 5 6.273 -3.842 0.827 1.00 0.00 C ATOM 1217 O LEU U 5 7.161 -3.915 -0.034 1.00 0.00 O ATOM 1218 CB LEU U 5 4.525 -2.658 -0.470 1.00 0.00 C ATOM 1219 CG LEU U 5 3.674 -1.366 -0.578 1.00 0.00 C ATOM 1220 CD1 LEU U 5 4.438 -0.274 -1.347 1.00 0.00 C ATOM 1221 CD2 LEU U 5 2.361 -1.660 -1.311 1.00 0.00 C ATOM 0 H LEU U 5 6.790 -1.242 0.439 1.00 0.00 H new ATOM 0 HA LEU U 5 4.610 -2.817 1.687 1.00 0.00 H new ATOM 0 HB2 LEU U 5 5.223 -2.713 -1.306 1.00 0.00 H new ATOM 0 HB3 LEU U 5 3.879 -3.534 -0.536 1.00 0.00 H new ATOM 0 HG LEU U 5 3.465 -1.015 0.433 1.00 0.00 H new ATOM 0 HD11 LEU U 5 3.823 0.624 -1.411 1.00 0.00 H new ATOM 0 HD12 LEU U 5 5.366 -0.042 -0.824 1.00 0.00 H new ATOM 0 HD13 LEU U 5 4.667 -0.629 -2.352 1.00 0.00 H new ATOM 0 HD21 LEU U 5 1.771 -0.746 -1.381 1.00 0.00 H new ATOM 0 HD22 LEU U 5 2.579 -2.029 -2.313 1.00 0.00 H new ATOM 0 HD23 LEU U 5 1.798 -2.414 -0.761 1.00 0.00 H new ATOM 1233 N GLN U 6 6.071 -4.777 1.750 1.00 0.00 N ATOM 1234 CA GLN U 6 6.904 -5.969 1.823 1.00 0.00 C ATOM 1235 C GLN U 6 6.026 -7.201 1.707 1.00 0.00 C ATOM 1236 O GLN U 6 5.320 -7.561 2.648 1.00 0.00 O ATOM 1237 CB GLN U 6 7.666 -5.980 3.146 1.00 0.00 C ATOM 1238 CG GLN U 6 8.589 -7.194 3.185 1.00 0.00 C ATOM 1239 CD GLN U 6 9.310 -7.273 4.522 1.00 0.00 C ATOM 1240 OE1 GLN U 6 8.676 -7.355 5.575 1.00 0.00 O ATOM 1241 NE2 GLN U 6 10.614 -7.264 4.534 1.00 0.00 N ATOM 0 H GLN U 6 5.337 -4.731 2.457 1.00 0.00 H new ATOM 0 HA GLN U 6 7.624 -5.968 1.005 1.00 0.00 H new ATOM 0 HB2 GLN U 6 8.247 -5.064 3.252 1.00 0.00 H new ATOM 0 HB3 GLN U 6 6.967 -6.013 3.982 1.00 0.00 H new ATOM 0 HG2 GLN U 6 8.010 -8.103 3.023 1.00 0.00 H new ATOM 0 HG3 GLN U 6 9.317 -7.131 2.376 1.00 0.00 H new ATOM 0 HE21 GLN U 6 11.132 -7.196 3.658 1.00 0.00 H new ATOM 0 HE22 GLN U 6 11.116 -7.325 5.420 1.00 0.00 H new ATOM 1250 N ILE U 7 6.080 -7.835 0.537 1.00 0.00 N ATOM 1251 CA ILE U 7 5.285 -9.025 0.271 1.00 0.00 C ATOM 1252 C ILE U 7 6.021 -9.963 -0.683 1.00 0.00 C ATOM 1253 O ILE U 7 5.372 -10.810 -1.273 1.00 0.00 O ATOM 1254 CB ILE U 7 3.916 -8.610 -0.305 1.00 0.00 C ATOM 1255 CG1 ILE U 7 4.050 -8.099 -1.751 1.00 0.00 C ATOM 1256 CG2 ILE U 7 3.303 -7.504 0.559 1.00 0.00 C ATOM 1257 CD1 ILE U 7 5.038 -6.925 -1.824 1.00 0.00 C ATOM 1258 OXT ILE U 7 7.230 -9.834 -0.791 1.00 0.00 O ATOM 0 H ILE U 7 6.669 -7.541 -0.242 1.00 0.00 H new ATOM 0 HA ILE U 7 5.124 -9.565 1.204 1.00 0.00 H new ATOM 0 HB ILE U 7 3.272 -9.490 -0.303 1.00 0.00 H new ATOM 0 HG12 ILE U 7 4.391 -8.908 -2.397 1.00 0.00 H new ATOM 0 HG13 ILE U 7 3.075 -7.783 -2.122 1.00 0.00 H new ATOM 0 HG21 ILE U 7 2.336 -7.215 0.147 1.00 0.00 H new ATOM 0 HG22 ILE U 7 3.169 -7.870 1.577 1.00 0.00 H new ATOM 0 HG23 ILE U 7 3.967 -6.639 0.568 1.00 0.00 H new ATOM 0 HD11 ILE U 7 5.117 -6.580 -2.855 1.00 0.00 H new ATOM 0 HD12 ILE U 7 4.681 -6.110 -1.195 1.00 0.00 H new ATOM 0 HD13 ILE U 7 6.017 -7.251 -1.474 1.00 0.00 H new ATOM 1271 N ILE W 1 7.109 11.731 -3.118 1.00 0.00 N ATOM 1272 CA ILE W 1 6.448 10.439 -2.765 1.00 0.00 C ATOM 1273 C ILE W 1 7.461 9.313 -2.875 1.00 0.00 C ATOM 1274 O ILE W 1 8.135 9.177 -3.898 1.00 0.00 O ATOM 1275 CB ILE W 1 5.276 10.184 -3.721 1.00 0.00 C ATOM 1276 CG1 ILE W 1 4.202 11.244 -3.467 1.00 0.00 C ATOM 1277 CG2 ILE W 1 4.700 8.788 -3.480 1.00 0.00 C ATOM 1278 CD1 ILE W 1 3.133 11.168 -4.551 1.00 0.00 C ATOM 0 H1 ILE W 1 6.938 12.426 -2.363 1.00 0.00 H new ATOM 0 H2 ILE W 1 8.132 11.580 -3.224 1.00 0.00 H new ATOM 0 H3 ILE W 1 6.717 12.088 -4.013 1.00 0.00 H new ATOM 0 HA ILE W 1 6.069 10.486 -1.744 1.00 0.00 H new ATOM 0 HB ILE W 1 5.619 10.243 -4.754 1.00 0.00 H new ATOM 0 HG12 ILE W 1 3.750 11.089 -2.487 1.00 0.00 H new ATOM 0 HG13 ILE W 1 4.653 12.236 -3.457 1.00 0.00 H new ATOM 0 HG21 ILE W 1 3.868 8.615 -4.163 1.00 0.00 H new ATOM 0 HG22 ILE W 1 5.474 8.040 -3.654 1.00 0.00 H new ATOM 0 HG23 ILE W 1 4.347 8.713 -2.452 1.00 0.00 H new ATOM 0 HD11 ILE W 1 2.371 11.925 -4.365 1.00 0.00 H new ATOM 0 HD12 ILE W 1 3.589 11.345 -5.525 1.00 0.00 H new ATOM 0 HD13 ILE W 1 2.673 10.180 -4.540 1.00 0.00 H new ATOM 1292 N HIS W 2 7.558 8.487 -1.828 1.00 0.00 N ATOM 1293 CA HIS W 2 8.482 7.373 -1.852 1.00 0.00 C ATOM 1294 C HIS W 2 7.693 6.075 -1.914 1.00 0.00 C ATOM 1295 O HIS W 2 6.883 5.799 -1.029 1.00 0.00 O ATOM 1296 CB HIS W 2 9.300 7.413 -0.540 1.00 0.00 C ATOM 1297 CG HIS W 2 10.051 6.122 -0.348 1.00 0.00 C ATOM 1298 ND1 HIS W 2 10.345 5.577 0.911 1.00 0.00 N ATOM 1299 CD2 HIS W 2 10.592 5.271 -1.260 1.00 0.00 C ATOM 1300 CE1 HIS W 2 11.040 4.448 0.704 1.00 0.00 C ATOM 1301 NE2 HIS W 2 11.221 4.210 -0.599 1.00 0.00 N ATOM 0 H HIS W 2 7.013 8.575 -0.970 1.00 0.00 H new ATOM 0 HA HIS W 2 9.142 7.434 -2.717 1.00 0.00 H new ATOM 0 HB2 HIS W 2 10.000 8.248 -0.566 1.00 0.00 H new ATOM 0 HB3 HIS W 2 8.634 7.583 0.306 1.00 0.00 H new ATOM 0 HD1 HIS W 2 10.080 5.967 1.816 1.00 0.00 H new ATOM 0 HD2 HIS W 2 10.544 5.395 -2.332 1.00 0.00 H new ATOM 0 HE1 HIS W 2 11.408 3.810 1.494 1.00 0.00 H new ATOM 0 HE2 HIS W 2 11.713 3.423 -1.021 1.00 0.00 H new ATOM 1308 N VAL W 3 7.957 5.263 -2.935 1.00 0.00 N ATOM 1309 CA VAL W 3 7.284 3.976 -3.066 1.00 0.00 C ATOM 1310 C VAL W 3 8.294 2.844 -3.020 1.00 0.00 C ATOM 1311 O VAL W 3 9.196 2.797 -3.858 1.00 0.00 O ATOM 1312 CB VAL W 3 6.543 3.929 -4.390 1.00 0.00 C ATOM 1313 CG1 VAL W 3 5.823 2.588 -4.515 1.00 0.00 C ATOM 1314 CG2 VAL W 3 5.535 5.080 -4.452 1.00 0.00 C ATOM 0 H VAL W 3 8.626 5.472 -3.676 1.00 0.00 H new ATOM 0 HA VAL W 3 6.582 3.860 -2.240 1.00 0.00 H new ATOM 0 HB VAL W 3 7.248 4.034 -5.214 1.00 0.00 H new ATOM 0 HG11 VAL W 3 5.289 2.549 -5.464 1.00 0.00 H new ATOM 0 HG12 VAL W 3 6.552 1.779 -4.475 1.00 0.00 H new ATOM 0 HG13 VAL W 3 5.113 2.478 -3.695 1.00 0.00 H new ATOM 0 HG21 VAL W 3 5.003 5.047 -5.403 1.00 0.00 H new ATOM 0 HG22 VAL W 3 4.822 4.984 -3.633 1.00 0.00 H new ATOM 0 HG23 VAL W 3 6.062 6.030 -4.364 1.00 0.00 H new ATOM 1324 N HIS W 4 8.137 1.908 -2.073 1.00 0.00 N ATOM 1325 CA HIS W 4 9.029 0.770 -1.981 1.00 0.00 C ATOM 1326 C HIS W 4 8.274 -0.546 -2.180 1.00 0.00 C ATOM 1327 O HIS W 4 7.238 -0.775 -1.552 1.00 0.00 O ATOM 1328 CB HIS W 4 9.750 0.818 -0.623 1.00 0.00 C ATOM 1329 CG HIS W 4 11.031 0.033 -0.693 1.00 0.00 C ATOM 1330 ND1 HIS W 4 12.314 0.601 -0.557 1.00 0.00 N ATOM 1331 CD2 HIS W 4 11.228 -1.294 -0.878 1.00 0.00 C ATOM 1332 CE1 HIS W 4 13.202 -0.401 -0.666 1.00 0.00 C ATOM 1333 NE2 HIS W 4 12.596 -1.578 -0.858 1.00 0.00 N ATOM 0 H HIS W 4 7.400 1.926 -1.368 1.00 0.00 H new ATOM 0 HA HIS W 4 9.770 0.820 -2.779 1.00 0.00 H new ATOM 0 HB2 HIS W 4 9.962 1.852 -0.351 1.00 0.00 H new ATOM 0 HB3 HIS W 4 9.105 0.409 0.155 1.00 0.00 H new ATOM 0 HD2 HIS W 4 10.445 -2.024 -1.020 1.00 0.00 H new ATOM 0 HE1 HIS W 4 14.273 -0.272 -0.606 1.00 0.00 H new ATOM 0 HE2 HIS W 4 13.039 -2.490 -0.967 1.00 0.00 H new ATOM 1341 N LEU W 5 8.801 -1.410 -3.055 1.00 0.00 N ATOM 1342 CA LEU W 5 8.172 -2.706 -3.342 1.00 0.00 C ATOM 1343 C LEU W 5 9.176 -3.846 -3.261 1.00 0.00 C ATOM 1344 O LEU W 5 10.166 -3.863 -3.996 1.00 0.00 O ATOM 1345 CB LEU W 5 7.594 -2.645 -4.759 1.00 0.00 C ATOM 1346 CG LEU W 5 6.271 -1.868 -4.752 1.00 0.00 C ATOM 1347 CD1 LEU W 5 5.989 -1.339 -6.157 1.00 0.00 C ATOM 1348 CD2 LEU W 5 5.129 -2.813 -4.364 1.00 0.00 C ATOM 0 H LEU W 5 9.660 -1.236 -3.576 1.00 0.00 H new ATOM 0 HA LEU W 5 7.394 -2.895 -2.602 1.00 0.00 H new ATOM 0 HB2 LEU W 5 8.305 -2.163 -5.430 1.00 0.00 H new ATOM 0 HB3 LEU W 5 7.431 -3.654 -5.138 1.00 0.00 H new ATOM 0 HG LEU W 5 6.343 -1.045 -4.041 1.00 0.00 H new ATOM 0 HD11 LEU W 5 5.050 -0.786 -6.156 1.00 0.00 H new ATOM 0 HD12 LEU W 5 6.799 -0.678 -6.466 1.00 0.00 H new ATOM 0 HD13 LEU W 5 5.917 -2.175 -6.853 1.00 0.00 H new ATOM 0 HD21 LEU W 5 4.188 -2.263 -4.358 1.00 0.00 H new ATOM 0 HD22 LEU W 5 5.069 -3.627 -5.086 1.00 0.00 H new ATOM 0 HD23 LEU W 5 5.316 -3.222 -3.371 1.00 0.00 H new ATOM 1360 N GLN W 6 8.890 -4.824 -2.403 1.00 0.00 N ATOM 1361 CA GLN W 6 9.756 -5.994 -2.277 1.00 0.00 C ATOM 1362 C GLN W 6 8.919 -7.253 -2.443 1.00 0.00 C ATOM 1363 O GLN W 6 8.196 -7.642 -1.531 1.00 0.00 O ATOM 1364 CB GLN W 6 10.427 -5.978 -0.905 1.00 0.00 C ATOM 1365 CG GLN W 6 11.457 -7.102 -0.833 1.00 0.00 C ATOM 1366 CD GLN W 6 12.091 -7.162 0.555 1.00 0.00 C ATOM 1367 OE1 GLN W 6 11.396 -7.139 1.569 1.00 0.00 O ATOM 1368 NE2 GLN W 6 13.387 -7.231 0.657 1.00 0.00 N ATOM 0 H GLN W 6 8.074 -4.830 -1.791 1.00 0.00 H new ATOM 0 HA GLN W 6 10.527 -5.976 -3.047 1.00 0.00 H new ATOM 0 HB2 GLN W 6 10.910 -5.016 -0.735 1.00 0.00 H new ATOM 0 HB3 GLN W 6 9.680 -6.103 -0.121 1.00 0.00 H new ATOM 0 HG2 GLN W 6 10.980 -8.055 -1.062 1.00 0.00 H new ATOM 0 HG3 GLN W 6 12.230 -6.943 -1.585 1.00 0.00 H new ATOM 0 HE21 GLN W 6 13.964 -7.250 -0.184 1.00 0.00 H new ATOM 0 HE22 GLN W 6 13.825 -7.266 1.578 1.00 0.00 H new ATOM 1377 N ILE W 7 9.024 -7.887 -3.618 1.00 0.00 N ATOM 1378 CA ILE W 7 8.253 -9.105 -3.903 1.00 0.00 C ATOM 1379 C ILE W 7 9.196 -10.262 -4.215 1.00 0.00 C ATOM 1380 O ILE W 7 9.390 -10.546 -5.385 1.00 0.00 O ATOM 1381 CB ILE W 7 7.317 -8.865 -5.109 1.00 0.00 C ATOM 1382 CG1 ILE W 7 6.483 -7.616 -4.877 1.00 0.00 C ATOM 1383 CG2 ILE W 7 6.369 -10.052 -5.256 1.00 0.00 C ATOM 1384 CD1 ILE W 7 5.757 -7.240 -6.163 1.00 0.00 C ATOM 1385 OXT ILE W 7 9.718 -10.846 -3.278 1.00 0.00 O ATOM 0 H ILE W 7 9.629 -7.581 -4.380 1.00 0.00 H new ATOM 0 HA ILE W 7 7.657 -9.355 -3.025 1.00 0.00 H new ATOM 0 HB ILE W 7 7.923 -8.746 -6.007 1.00 0.00 H new ATOM 0 HG12 ILE W 7 5.762 -7.791 -4.078 1.00 0.00 H new ATOM 0 HG13 ILE W 7 7.122 -6.794 -4.555 1.00 0.00 H new ATOM 0 HG21 ILE W 7 5.707 -9.886 -6.106 1.00 0.00 H new ATOM 0 HG22 ILE W 7 6.947 -10.962 -5.419 1.00 0.00 H new ATOM 0 HG23 ILE W 7 5.775 -10.157 -4.348 1.00 0.00 H new ATOM 0 HD11 ILE W 7 5.159 -6.344 -5.995 1.00 0.00 H new ATOM 0 HD12 ILE W 7 6.487 -7.047 -6.950 1.00 0.00 H new ATOM 0 HD13 ILE W 7 5.105 -8.059 -6.466 1.00 0.00 H new ATOM 1398 N ILE Y 1 9.396 11.837 -7.175 1.00 0.00 N ATOM 1399 CA ILE Y 1 8.804 10.491 -6.937 1.00 0.00 C ATOM 1400 C ILE Y 1 9.904 9.441 -7.021 1.00 0.00 C ATOM 1401 O ILE Y 1 10.494 9.248 -8.085 1.00 0.00 O ATOM 1402 CB ILE Y 1 7.750 10.203 -8.015 1.00 0.00 C ATOM 1403 CG1 ILE Y 1 6.654 11.266 -7.944 1.00 0.00 C ATOM 1404 CG2 ILE Y 1 7.135 8.824 -7.772 1.00 0.00 C ATOM 1405 CD1 ILE Y 1 5.757 11.154 -9.176 1.00 0.00 C ATOM 0 H1 ILE Y 1 8.831 12.557 -6.681 1.00 0.00 H new ATOM 0 H2 ILE Y 1 10.372 11.856 -6.816 1.00 0.00 H new ATOM 0 H3 ILE Y 1 9.399 12.040 -8.195 1.00 0.00 H new ATOM 0 HA ILE Y 1 8.339 10.462 -5.952 1.00 0.00 H new ATOM 0 HB ILE Y 1 8.219 10.223 -8.999 1.00 0.00 H new ATOM 0 HG12 ILE Y 1 6.063 11.135 -7.037 1.00 0.00 H new ATOM 0 HG13 ILE Y 1 7.099 12.260 -7.894 1.00 0.00 H new ATOM 0 HG21 ILE Y 1 6.386 8.619 -8.537 1.00 0.00 H new ATOM 0 HG22 ILE Y 1 7.916 8.065 -7.816 1.00 0.00 H new ATOM 0 HG23 ILE Y 1 6.664 8.804 -6.789 1.00 0.00 H new ATOM 0 HD11 ILE Y 1 4.975 11.912 -9.127 1.00 0.00 H new ATOM 0 HD12 ILE Y 1 6.354 11.306 -10.075 1.00 0.00 H new ATOM 0 HD13 ILE Y 1 5.302 10.164 -9.206 1.00 0.00 H new ATOM 1419 N HIS Y 2 10.163 8.736 -5.917 1.00 0.00 N ATOM 1420 CA HIS Y 2 11.180 7.683 -5.933 1.00 0.00 C ATOM 1421 C HIS Y 2 10.467 6.343 -5.889 1.00 0.00 C ATOM 1422 O HIS Y 2 9.703 6.075 -4.960 1.00 0.00 O ATOM 1423 CB HIS Y 2 12.082 7.812 -4.684 1.00 0.00 C ATOM 1424 CG HIS Y 2 13.278 8.673 -4.976 1.00 0.00 C ATOM 1425 ND1 HIS Y 2 14.575 8.191 -4.871 1.00 0.00 N ATOM 1426 CD2 HIS Y 2 13.391 9.985 -5.356 1.00 0.00 C ATOM 1427 CE1 HIS Y 2 15.407 9.203 -5.181 1.00 0.00 C ATOM 1428 NE2 HIS Y 2 14.736 10.319 -5.485 1.00 0.00 N ATOM 0 H HIS Y 2 9.695 8.870 -5.021 1.00 0.00 H new ATOM 0 HA HIS Y 2 11.794 7.767 -6.830 1.00 0.00 H new ATOM 0 HB2 HIS Y 2 11.511 8.242 -3.861 1.00 0.00 H new ATOM 0 HB3 HIS Y 2 12.410 6.823 -4.363 1.00 0.00 H new ATOM 0 HD2 HIS Y 2 12.563 10.657 -5.529 1.00 0.00 H new ATOM 0 HE1 HIS Y 2 16.484 9.123 -5.184 1.00 0.00 H new ATOM 0 HE2 HIS Y 2 15.126 11.222 -5.754 1.00 0.00 H new ATOM 1436 N VAL Y 3 10.733 5.494 -6.876 1.00 0.00 N ATOM 1437 CA VAL Y 3 10.124 4.170 -6.913 1.00 0.00 C ATOM 1438 C VAL Y 3 11.217 3.113 -6.790 1.00 0.00 C ATOM 1439 O VAL Y 3 12.157 3.106 -7.588 1.00 0.00 O ATOM 1440 CB VAL Y 3 9.357 3.989 -8.224 1.00 0.00 C ATOM 1441 CG1 VAL Y 3 8.562 2.680 -8.181 1.00 0.00 C ATOM 1442 CG2 VAL Y 3 8.410 5.175 -8.439 1.00 0.00 C ATOM 0 H VAL Y 3 11.360 5.697 -7.654 1.00 0.00 H new ATOM 0 HA VAL Y 3 9.425 4.063 -6.083 1.00 0.00 H new ATOM 0 HB VAL Y 3 10.064 3.947 -9.053 1.00 0.00 H new ATOM 0 HG11 VAL Y 3 8.017 2.554 -9.117 1.00 0.00 H new ATOM 0 HG12 VAL Y 3 9.247 1.843 -8.045 1.00 0.00 H new ATOM 0 HG13 VAL Y 3 7.856 2.710 -7.351 1.00 0.00 H new ATOM 0 HG21 VAL Y 3 7.866 5.041 -9.374 1.00 0.00 H new ATOM 0 HG22 VAL Y 3 7.702 5.230 -7.612 1.00 0.00 H new ATOM 0 HG23 VAL Y 3 8.988 6.098 -8.484 1.00 0.00 H new ATOM 1452 N HIS Y 4 11.089 2.206 -5.827 1.00 0.00 N ATOM 1453 CA HIS Y 4 12.075 1.127 -5.663 1.00 0.00 C ATOM 1454 C HIS Y 4 11.373 -0.212 -5.875 1.00 0.00 C ATOM 1455 O HIS Y 4 10.338 -0.465 -5.261 1.00 0.00 O ATOM 1456 CB HIS Y 4 12.707 1.176 -4.244 1.00 0.00 C ATOM 1457 CG HIS Y 4 13.290 2.551 -3.912 1.00 0.00 C ATOM 1458 ND1 HIS Y 4 13.149 3.141 -2.646 1.00 0.00 N ATOM 1459 CD2 HIS Y 4 14.036 3.451 -4.649 1.00 0.00 C ATOM 1460 CE1 HIS Y 4 13.786 4.326 -2.676 1.00 0.00 C ATOM 1461 NE2 HIS Y 4 14.343 4.566 -3.869 1.00 0.00 N ATOM 0 H HIS Y 4 10.324 2.190 -5.152 1.00 0.00 H new ATOM 0 HA HIS Y 4 12.874 1.251 -6.394 1.00 0.00 H new ATOM 0 HB2 HIS Y 4 11.951 0.917 -3.503 1.00 0.00 H new ATOM 0 HB3 HIS Y 4 13.493 0.424 -4.173 1.00 0.00 H new ATOM 0 HD2 HIS Y 4 14.337 3.312 -5.677 1.00 0.00 H new ATOM 0 HE1 HIS Y 4 13.841 5.003 -1.837 1.00 0.00 H new ATOM 0 HE2 HIS Y 4 14.878 5.388 -4.148 1.00 0.00 H new ATOM 1468 N LEU Y 5 11.931 -1.076 -6.731 1.00 0.00 N ATOM 1469 CA LEU Y 5 11.323 -2.389 -6.992 1.00 0.00 C ATOM 1470 C LEU Y 5 12.357 -3.497 -6.904 1.00 0.00 C ATOM 1471 O LEU Y 5 13.387 -3.454 -7.579 1.00 0.00 O ATOM 1472 CB LEU Y 5 10.697 -2.408 -8.391 1.00 0.00 C ATOM 1473 CG LEU Y 5 9.802 -1.156 -8.593 1.00 0.00 C ATOM 1474 CD1 LEU Y 5 10.584 -0.040 -9.305 1.00 0.00 C ATOM 1475 CD2 LEU Y 5 8.570 -1.514 -9.433 1.00 0.00 C ATOM 0 H LEU Y 5 12.791 -0.895 -7.249 1.00 0.00 H new ATOM 0 HA LEU Y 5 10.556 -2.557 -6.236 1.00 0.00 H new ATOM 0 HB2 LEU Y 5 11.481 -2.430 -9.148 1.00 0.00 H new ATOM 0 HB3 LEU Y 5 10.104 -3.313 -8.520 1.00 0.00 H new ATOM 0 HG LEU Y 5 9.487 -0.805 -7.610 1.00 0.00 H new ATOM 0 HD11 LEU Y 5 9.939 0.829 -9.437 1.00 0.00 H new ATOM 0 HD12 LEU Y 5 11.449 0.239 -8.704 1.00 0.00 H new ATOM 0 HD13 LEU Y 5 10.919 -0.395 -10.280 1.00 0.00 H new ATOM 0 HD21 LEU Y 5 7.951 -0.627 -9.567 1.00 0.00 H new ATOM 0 HD22 LEU Y 5 8.889 -1.885 -10.407 1.00 0.00 H new ATOM 0 HD23 LEU Y 5 7.993 -2.285 -8.923 1.00 0.00 H new ATOM 1487 N GLN Y 6 12.060 -4.513 -6.100 1.00 0.00 N ATOM 1488 CA GLN Y 6 12.954 -5.658 -5.961 1.00 0.00 C ATOM 1489 C GLN Y 6 12.160 -6.934 -6.168 1.00 0.00 C ATOM 1490 O GLN Y 6 11.404 -7.354 -5.290 1.00 0.00 O ATOM 1491 CB GLN Y 6 13.587 -5.653 -4.571 1.00 0.00 C ATOM 1492 CG GLN Y 6 14.627 -6.771 -4.478 1.00 0.00 C ATOM 1493 CD GLN Y 6 15.201 -6.844 -3.067 1.00 0.00 C ATOM 1494 OE1 GLN Y 6 14.458 -6.862 -2.088 1.00 0.00 O ATOM 1495 NE2 GLN Y 6 16.494 -6.882 -2.906 1.00 0.00 N ATOM 0 H GLN Y 6 11.211 -4.567 -5.537 1.00 0.00 H new ATOM 0 HA GLN Y 6 13.747 -5.600 -6.707 1.00 0.00 H new ATOM 0 HB2 GLN Y 6 14.056 -4.689 -4.377 1.00 0.00 H new ATOM 0 HB3 GLN Y 6 12.819 -5.792 -3.810 1.00 0.00 H new ATOM 0 HG2 GLN Y 6 14.170 -7.725 -4.742 1.00 0.00 H new ATOM 0 HG3 GLN Y 6 15.428 -6.592 -5.195 1.00 0.00 H new ATOM 0 HE21 GLN Y 6 17.110 -6.867 -3.719 1.00 0.00 H new ATOM 0 HE22 GLN Y 6 16.890 -6.927 -1.967 1.00 0.00 H new ATOM 1504 N ILE Y 7 12.342 -7.537 -7.342 1.00 0.00 N ATOM 1505 CA ILE Y 7 11.639 -8.765 -7.700 1.00 0.00 C ATOM 1506 C ILE Y 7 12.515 -9.640 -8.600 1.00 0.00 C ATOM 1507 O ILE Y 7 12.005 -10.618 -9.123 1.00 0.00 O ATOM 1508 CB ILE Y 7 10.316 -8.411 -8.410 1.00 0.00 C ATOM 1509 CG1 ILE Y 7 10.571 -7.963 -9.859 1.00 0.00 C ATOM 1510 CG2 ILE Y 7 9.613 -7.278 -7.660 1.00 0.00 C ATOM 1511 CD1 ILE Y 7 11.625 -6.851 -9.894 1.00 0.00 C ATOM 1512 OXT ILE Y 7 13.687 -9.326 -8.739 1.00 0.00 O ATOM 0 H ILE Y 7 12.974 -7.192 -8.064 1.00 0.00 H new ATOM 0 HA ILE Y 7 11.417 -9.328 -6.794 1.00 0.00 H new ATOM 0 HB ILE Y 7 9.689 -9.303 -8.419 1.00 0.00 H new ATOM 0 HG12 ILE Y 7 10.907 -8.811 -10.455 1.00 0.00 H new ATOM 0 HG13 ILE Y 7 9.642 -7.608 -10.306 1.00 0.00 H new ATOM 0 HG21 ILE Y 7 8.679 -7.032 -8.165 1.00 0.00 H new ATOM 0 HG22 ILE Y 7 9.400 -7.595 -6.639 1.00 0.00 H new ATOM 0 HG23 ILE Y 7 10.258 -6.399 -7.641 1.00 0.00 H new ATOM 0 HD11 ILE Y 7 11.796 -6.544 -10.926 1.00 0.00 H new ATOM 0 HD12 ILE Y 7 11.273 -5.998 -9.315 1.00 0.00 H new ATOM 0 HD13 ILE Y 7 12.557 -7.220 -9.467 1.00 0.00 H new