USER MOD reduce.3.24.130724 H: found=0, std=0, add=816, rem=0, adj=24 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= -0.56 K(o=-2.1,f=-2.8) USER MOD Set 1.2: O 4 HIS : no HD1:sc= -0.614 K(o=-2.1,f=-3.3) USER MOD Set 1.3: Q 2 HIS : no HD1:sc= -0.661 K(o=-2.1,f=-6.3!) USER MOD Set 1.4: Q 4 HIS : no HE2:sc= 0.0849 K(o=-2.1,f=-3.8) USER MOD Set 1.5: S 2 HIS : no HE2:sc=-0.00786 K(o=-2.1,f=-7.5!) USER MOD Set 1.6: S 4 HIS : no HD1:sc= -0.113 X(o=-2.1,f=-2.2) USER MOD Set 1.7: U 2 HIS : no HD1:sc= -0.16 K(o=-2.1,f=-3.7) USER MOD Set 1.8: U 4 HIS : no HE2:sc= 0.00226 X(o=-2.1,f=-2.4) USER MOD Set 1.9: W 2 HIS : no HE2:sc= -0.423 K(o=-2.1,f=-5.3) USER MOD Set 1.10: W 4 HIS : no HD1:sc= 0.0742 X(o=-2.1,f=-2.4) USER MOD Set 1.11: Y 2 HIS : no HD1:sc= 0 X(o=-2.1,f=-2.1) USER MOD Set 1.12: Y 4 HIS : no HE2:sc= 0.255 K(o=-2.1,f=-4.3) USER MOD Set 2.1: O 6 GLN : amide:sc= 0.599 K(o=-0.072,f=-1.2) USER MOD Set 2.2: Q 6 GLN : amide:sc= 0.486 K(o=-0.072,f=-5.7!) USER MOD Set 2.3: S 6 GLN : amide:sc= 0.25 K(o=-0.072,f=-9.5!) USER MOD Set 2.4: U 6 GLN : amide:sc= -0.116 K(o=-0.072,f=-8.4!) USER MOD Set 2.5: W 6 GLN : amide:sc= -0.205 K(o=-0.072,f=-8.8!) USER MOD Set 2.6: Y 6 GLN : amide:sc= -1.09 K(o=-0.072,f=-7!) USER MOD Set 3.1: A 6 GLN : amide:sc= 0.562 K(o=-0.25,f=-1.3) USER MOD Set 3.2: C 6 GLN : amide:sc= 0.445 K(o=-0.25,f=-5.5!) USER MOD Set 3.3: E 6 GLN : amide:sc= 0.242 K(o=-0.25,f=-8.9!) USER MOD Set 3.4: G 6 GLN : amide:sc= -0.235 K(o=-0.25,f=-7.8!) USER MOD Set 3.5: I 6 GLN : amide:sc= -0.257 K(o=-0.25,f=-8.5!) USER MOD Set 3.6: K 6 GLN : amide:sc= -1 K(o=-0.25,f=-7.8!) USER MOD Set 4.1: A 2 HIS : no HE2:sc= -0.568 X(o=-2.6,f=-3) USER MOD Set 4.2: A 4 HIS : no HD1:sc= -0.746 K(o=-2.6,f=-3.5) USER MOD Set 4.3: C 2 HIS : no HD1:sc= -0.5 K(o=-2.6,f=-4.4) USER MOD Set 4.4: C 4 HIS : no HE2:sc= 0.00766 K(o=-2.6,f=-3.2) USER MOD Set 4.5: E 2 HIS : no HE2:sc= -0.399 K(o=-2.6,f=-5.2) USER MOD Set 4.6: E 4 HIS : no HD1:sc= -0.0908 X(o=-2.6,f=-2.6) USER MOD Set 4.7: G 2 HIS : no HD1:sc= 0.225 K(o=-2.6,f=-3.6) USER MOD Set 4.8: G 4 HIS : no HE2:sc= 0.00355 X(o=-2.6,f=-2.8) USER MOD Set 4.9: I 2 HIS : no HE2:sc= -0.489 K(o=-2.6,f=-5) USER MOD Set 4.10: I 4 HIS : no HD1:sc= -0.0651 X(o=-2.6,f=-2.7) USER MOD Set 4.11: K 2 HIS : no HD1:sc= 0 X(o=-2.6,f=-2.6) USER MOD Set 4.12: K 4 HIS : no HE2:sc= 0.0318 X(o=-2.6,f=-3) USER MOD Single : A 1 ILE N :NH3+ -151:sc= -0.12 (180deg=-0.934) USER MOD Single : C 1 ILE N :NH3+ 163:sc= -0.307 (180deg=-1.14) USER MOD Single : E 1 ILE N :NH3+ -153:sc= -0.203 (180deg=-0.974) USER MOD Single : G 1 ILE N :NH3+ 160:sc= -0.308 (180deg=-0.973) USER MOD Single : I 1 ILE N :NH3+ -155:sc= -0.135 (180deg=-0.869) USER MOD Single : K 1 ILE N :NH3+ 159:sc= -0.204 (180deg=-0.883) USER MOD Single : O 1 ILE N :NH3+ -150:sc= -0.21 (180deg=-1.02) USER MOD Single : Q 1 ILE N :NH3+ 159:sc= -0.358 (180deg=-1.25) USER MOD Single : S 1 ILE N :NH3+ -131:sc= -0.152 (180deg=-0.956) USER MOD Single : U 1 ILE N :NH3+ 163:sc= -0.237 (180deg=-1.04) USER MOD Single : W 1 ILE N :NH3+ -154:sc= -0.133 (180deg=-0.876) USER MOD Single : Y 1 ILE N :NH3+ 163:sc= -0.319 (180deg=-1.01) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 -11.751 -11.573 7.324 1.00 0.00 N ATOM 2 CA ILE A 1 -11.901 -10.305 8.090 1.00 0.00 C ATOM 3 C ILE A 1 -11.849 -9.128 7.125 1.00 0.00 C ATOM 4 O ILE A 1 -10.996 -9.078 6.239 1.00 0.00 O ATOM 5 CB ILE A 1 -10.762 -10.188 9.116 1.00 0.00 C ATOM 6 CG1 ILE A 1 -10.892 -11.323 10.137 1.00 0.00 C ATOM 7 CG2 ILE A 1 -10.857 -8.844 9.838 1.00 0.00 C ATOM 8 CD1 ILE A 1 -9.624 -11.399 10.984 1.00 0.00 C ATOM 0 H1 ILE A 1 -12.249 -12.339 7.820 1.00 0.00 H new ATOM 0 H2 ILE A 1 -12.157 -11.455 6.374 1.00 0.00 H new ATOM 0 H3 ILE A 1 -10.742 -11.812 7.242 1.00 0.00 H new ATOM 0 HA ILE A 1 -12.856 -10.302 8.615 1.00 0.00 H new ATOM 0 HB ILE A 1 -9.801 -10.255 8.606 1.00 0.00 H new ATOM 0 HG12 ILE A 1 -11.758 -11.153 10.776 1.00 0.00 H new ATOM 0 HG13 ILE A 1 -11.056 -12.270 9.624 1.00 0.00 H new ATOM 0 HG21 ILE A 1 -10.049 -8.763 10.565 1.00 0.00 H new ATOM 0 HG22 ILE A 1 -10.775 -8.035 9.113 1.00 0.00 H new ATOM 0 HG23 ILE A 1 -11.816 -8.774 10.352 1.00 0.00 H new ATOM 0 HD11 ILE A 1 -9.719 -12.207 11.709 1.00 0.00 H new ATOM 0 HD12 ILE A 1 -8.766 -11.589 10.339 1.00 0.00 H new ATOM 0 HD13 ILE A 1 -9.480 -10.455 11.509 1.00 0.00 H new ATOM 22 N HIS A 2 -12.763 -8.171 7.300 1.00 0.00 N ATOM 23 CA HIS A 2 -12.787 -7.001 6.458 1.00 0.00 C ATOM 24 C HIS A 2 -12.458 -5.779 7.309 1.00 0.00 C ATOM 25 O HIS A 2 -13.163 -5.495 8.276 1.00 0.00 O ATOM 26 CB HIS A 2 -14.220 -6.892 5.903 1.00 0.00 C ATOM 27 CG HIS A 2 -14.479 -5.537 5.315 1.00 0.00 C ATOM 28 ND1 HIS A 2 -15.756 -4.965 5.285 1.00 0.00 N ATOM 29 CD2 HIS A 2 -13.654 -4.647 4.697 1.00 0.00 C ATOM 30 CE1 HIS A 2 -15.653 -3.784 4.662 1.00 0.00 C ATOM 31 NE2 HIS A 2 -14.402 -3.532 4.280 1.00 0.00 N ATOM 0 H HIS A 2 -13.488 -8.194 8.017 1.00 0.00 H new ATOM 0 HA HIS A 2 -12.062 -7.064 5.646 1.00 0.00 H new ATOM 0 HB2 HIS A 2 -14.376 -7.656 5.142 1.00 0.00 H new ATOM 0 HB3 HIS A 2 -14.936 -7.087 6.701 1.00 0.00 H new ATOM 0 HD1 HIS A 2 -16.609 -5.373 5.668 1.00 0.00 H new ATOM 0 HD2 HIS A 2 -12.592 -4.777 4.550 1.00 0.00 H new ATOM 0 HE1 HIS A 2 -16.484 -3.116 4.490 1.00 0.00 H new ATOM 38 N VAL A 3 -11.412 -5.037 6.941 1.00 0.00 N ATOM 39 CA VAL A 3 -11.055 -3.825 7.686 1.00 0.00 C ATOM 40 C VAL A 3 -11.154 -2.608 6.785 1.00 0.00 C ATOM 41 O VAL A 3 -10.468 -2.544 5.763 1.00 0.00 O ATOM 42 CB VAL A 3 -9.635 -3.954 8.224 1.00 0.00 C ATOM 43 CG1 VAL A 3 -9.312 -2.731 9.067 1.00 0.00 C ATOM 44 CG2 VAL A 3 -9.518 -5.218 9.077 1.00 0.00 C ATOM 0 H VAL A 3 -10.806 -5.247 6.147 1.00 0.00 H new ATOM 0 HA VAL A 3 -11.748 -3.704 8.519 1.00 0.00 H new ATOM 0 HB VAL A 3 -8.932 -4.023 7.394 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -8.297 -2.815 9.456 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -9.392 -1.834 8.453 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -10.015 -2.666 9.898 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -8.501 -5.306 9.459 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -10.216 -5.159 9.912 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -9.753 -6.091 8.468 1.00 0.00 H new ATOM 54 N HIS A 4 -11.978 -1.628 7.169 1.00 0.00 N ATOM 55 CA HIS A 4 -12.122 -0.414 6.397 1.00 0.00 C ATOM 56 C HIS A 4 -11.724 0.821 7.205 1.00 0.00 C ATOM 57 O HIS A 4 -12.176 0.995 8.333 1.00 0.00 O ATOM 58 CB HIS A 4 -13.574 -0.314 5.888 1.00 0.00 C ATOM 59 CG HIS A 4 -13.609 0.554 4.661 1.00 0.00 C ATOM 60 ND1 HIS A 4 -13.972 0.093 3.383 1.00 0.00 N ATOM 61 CD2 HIS A 4 -13.302 1.864 4.516 1.00 0.00 C ATOM 62 CE1 HIS A 4 -13.863 1.136 2.543 1.00 0.00 C ATOM 63 NE2 HIS A 4 -13.459 2.242 3.182 1.00 0.00 N ATOM 0 H HIS A 4 -12.551 -1.662 8.012 1.00 0.00 H new ATOM 0 HA HIS A 4 -11.444 -0.453 5.544 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -13.960 -1.307 5.657 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -14.216 0.105 6.663 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -12.983 2.519 5.313 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -14.075 1.089 1.485 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -13.300 3.165 2.779 1.00 0.00 H new ATOM 71 N LEU A 5 -10.893 1.684 6.615 1.00 0.00 N ATOM 72 CA LEU A 5 -10.457 2.915 7.291 1.00 0.00 C ATOM 73 C LEU A 5 -10.838 4.129 6.456 1.00 0.00 C ATOM 74 O LEU A 5 -10.282 4.342 5.381 1.00 0.00 O ATOM 75 CB LEU A 5 -8.946 2.882 7.459 1.00 0.00 C ATOM 76 CG LEU A 5 -8.537 1.607 8.207 1.00 0.00 C ATOM 77 CD1 LEU A 5 -7.000 1.547 8.328 1.00 0.00 C ATOM 78 CD2 LEU A 5 -9.190 1.591 9.607 1.00 0.00 C ATOM 0 H LEU A 5 -10.510 1.558 5.678 1.00 0.00 H new ATOM 0 HA LEU A 5 -10.942 2.981 8.265 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -8.461 2.914 6.483 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -8.612 3.761 8.010 1.00 0.00 H new ATOM 0 HG LEU A 5 -8.880 0.734 7.652 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -6.712 0.640 8.860 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -6.557 1.540 7.332 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -6.644 2.418 8.878 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -8.897 0.684 10.135 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -8.860 2.462 10.172 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -10.275 1.616 9.503 1.00 0.00 H new ATOM 90 N GLN A 6 -11.770 4.932 6.967 1.00 0.00 N ATOM 91 CA GLN A 6 -12.209 6.138 6.258 1.00 0.00 C ATOM 92 C GLN A 6 -12.003 7.347 7.157 1.00 0.00 C ATOM 93 O GLN A 6 -12.752 7.547 8.112 1.00 0.00 O ATOM 94 CB GLN A 6 -13.688 6.020 5.889 1.00 0.00 C ATOM 95 CG GLN A 6 -14.096 7.234 5.055 1.00 0.00 C ATOM 96 CD GLN A 6 -15.584 7.182 4.753 1.00 0.00 C ATOM 97 OE1 GLN A 6 -16.405 7.154 5.668 1.00 0.00 O ATOM 98 NE2 GLN A 6 -15.984 7.173 3.510 1.00 0.00 N ATOM 0 H GLN A 6 -12.234 4.774 7.862 1.00 0.00 H new ATOM 0 HA GLN A 6 -11.625 6.253 5.345 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -13.863 5.102 5.327 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -14.297 5.962 6.791 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -13.858 8.152 5.593 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -13.528 7.254 4.125 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -15.300 7.196 2.754 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -16.981 7.143 3.295 1.00 0.00 H new ATOM 107 N ILE A 7 -10.978 8.140 6.849 1.00 0.00 N ATOM 108 CA ILE A 7 -10.666 9.333 7.646 1.00 0.00 C ATOM 109 C ILE A 7 -10.806 10.593 6.800 1.00 0.00 C ATOM 110 O ILE A 7 -10.600 10.505 5.601 1.00 0.00 O ATOM 111 CB ILE A 7 -9.228 9.234 8.191 1.00 0.00 C ATOM 112 CG1 ILE A 7 -8.926 7.789 8.638 1.00 0.00 C ATOM 113 CG2 ILE A 7 -9.045 10.177 9.382 1.00 0.00 C ATOM 114 CD1 ILE A 7 -9.838 7.390 9.808 1.00 0.00 C ATOM 115 OXT ILE A 7 -11.132 11.621 7.366 1.00 0.00 O ATOM 0 H ILE A 7 -10.351 7.983 6.060 1.00 0.00 H new ATOM 0 HA ILE A 7 -11.369 9.389 8.478 1.00 0.00 H new ATOM 0 HB ILE A 7 -8.540 9.519 7.395 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -9.074 7.104 7.803 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -7.881 7.705 8.937 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -8.025 10.096 9.757 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -9.236 11.203 9.067 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -9.744 9.905 10.173 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -9.613 6.368 10.112 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -9.669 8.064 10.648 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -10.880 7.455 9.495 1.00 0.00 H new ATOM 128 N ILE C 1 -8.045 -11.597 3.975 1.00 0.00 N ATOM 129 CA ILE C 1 -8.632 -10.351 4.534 1.00 0.00 C ATOM 130 C ILE C 1 -8.631 -9.256 3.473 1.00 0.00 C ATOM 131 O ILE C 1 -7.716 -9.164 2.642 1.00 0.00 O ATOM 132 CB ILE C 1 -7.801 -9.895 5.762 1.00 0.00 C ATOM 133 CG1 ILE C 1 -7.993 -8.386 6.011 1.00 0.00 C ATOM 134 CG2 ILE C 1 -6.320 -10.173 5.518 1.00 0.00 C ATOM 135 CD1 ILE C 1 -7.545 -8.029 7.421 1.00 0.00 C ATOM 0 H1 ILE C 1 -7.782 -12.236 4.752 1.00 0.00 H new ATOM 0 H2 ILE C 1 -8.743 -12.065 3.363 1.00 0.00 H new ATOM 0 H3 ILE C 1 -7.198 -11.363 3.418 1.00 0.00 H new ATOM 0 HA ILE C 1 -9.659 -10.543 4.843 1.00 0.00 H new ATOM 0 HB ILE C 1 -8.144 -10.451 6.635 1.00 0.00 H new ATOM 0 HG12 ILE C 1 -7.419 -7.813 5.282 1.00 0.00 H new ATOM 0 HG13 ILE C 1 -9.040 -8.117 5.875 1.00 0.00 H new ATOM 0 HG21 ILE C 1 -5.742 -9.851 6.384 1.00 0.00 H new ATOM 0 HG22 ILE C 1 -6.172 -11.241 5.360 1.00 0.00 H new ATOM 0 HG23 ILE C 1 -5.988 -9.626 4.636 1.00 0.00 H new ATOM 0 HD11 ILE C 1 -7.684 -6.961 7.588 1.00 0.00 H new ATOM 0 HD12 ILE C 1 -8.138 -8.589 8.144 1.00 0.00 H new ATOM 0 HD13 ILE C 1 -6.491 -8.281 7.543 1.00 0.00 H new ATOM 149 N HIS C 2 -9.642 -8.399 3.533 1.00 0.00 N ATOM 150 CA HIS C 2 -9.709 -7.272 2.607 1.00 0.00 C ATOM 151 C HIS C 2 -9.464 -6.002 3.404 1.00 0.00 C ATOM 152 O HIS C 2 -10.191 -5.718 4.356 1.00 0.00 O ATOM 153 CB HIS C 2 -11.103 -7.216 1.946 1.00 0.00 C ATOM 154 CG HIS C 2 -11.118 -8.032 0.679 1.00 0.00 C ATOM 155 ND1 HIS C 2 -11.339 -7.465 -0.570 1.00 0.00 N ATOM 156 CD2 HIS C 2 -10.942 -9.375 0.454 1.00 0.00 C ATOM 157 CE1 HIS C 2 -11.288 -8.457 -1.477 1.00 0.00 C ATOM 158 NE2 HIS C 2 -11.050 -9.641 -0.906 1.00 0.00 N ATOM 0 H HIS C 2 -10.413 -8.458 4.198 1.00 0.00 H new ATOM 0 HA HIS C 2 -8.961 -7.380 1.822 1.00 0.00 H new ATOM 0 HB2 HIS C 2 -11.856 -7.594 2.638 1.00 0.00 H new ATOM 0 HB3 HIS C 2 -11.365 -6.182 1.723 1.00 0.00 H new ATOM 0 HD2 HIS C 2 -10.749 -10.113 1.218 1.00 0.00 H new ATOM 0 HE1 HIS C 2 -11.423 -8.314 -2.539 1.00 0.00 H new ATOM 0 HE2 HIS C 2 -10.966 -10.546 -1.369 1.00 0.00 H new ATOM 166 N VAL C 3 -8.458 -5.225 3.005 1.00 0.00 N ATOM 167 CA VAL C 3 -8.161 -3.965 3.688 1.00 0.00 C ATOM 168 C VAL C 3 -8.389 -2.801 2.749 1.00 0.00 C ATOM 169 O VAL C 3 -7.806 -2.747 1.660 1.00 0.00 O ATOM 170 CB VAL C 3 -6.713 -3.971 4.173 1.00 0.00 C ATOM 171 CG1 VAL C 3 -6.424 -2.655 4.901 1.00 0.00 C ATOM 172 CG2 VAL C 3 -6.490 -5.168 5.128 1.00 0.00 C ATOM 0 H VAL C 3 -7.841 -5.441 2.222 1.00 0.00 H new ATOM 0 HA VAL C 3 -8.824 -3.859 4.546 1.00 0.00 H new ATOM 0 HB VAL C 3 -6.038 -4.069 3.323 1.00 0.00 H new ATOM 0 HG11 VAL C 3 -5.392 -2.652 5.250 1.00 0.00 H new ATOM 0 HG12 VAL C 3 -6.579 -1.820 4.218 1.00 0.00 H new ATOM 0 HG13 VAL C 3 -7.096 -2.556 5.753 1.00 0.00 H new ATOM 0 HG21 VAL C 3 -5.456 -5.171 5.473 1.00 0.00 H new ATOM 0 HG22 VAL C 3 -7.158 -5.079 5.985 1.00 0.00 H new ATOM 0 HG23 VAL C 3 -6.699 -6.098 4.600 1.00 0.00 H new ATOM 182 N HIS C 4 -9.222 -1.852 3.176 1.00 0.00 N ATOM 183 CA HIS C 4 -9.511 -0.670 2.362 1.00 0.00 C ATOM 184 C HIS C 4 -9.068 0.579 3.110 1.00 0.00 C ATOM 185 O HIS C 4 -9.435 0.763 4.272 1.00 0.00 O ATOM 186 CB HIS C 4 -11.034 -0.600 2.056 1.00 0.00 C ATOM 187 CG HIS C 4 -11.529 -1.873 1.356 1.00 0.00 C ATOM 188 ND1 HIS C 4 -12.763 -2.465 1.659 1.00 0.00 N ATOM 189 CD2 HIS C 4 -10.966 -2.687 0.391 1.00 0.00 C ATOM 190 CE1 HIS C 4 -12.883 -3.571 0.903 1.00 0.00 C ATOM 191 NE2 HIS C 4 -11.820 -3.756 0.113 1.00 0.00 N ATOM 0 H HIS C 4 -9.706 -1.877 4.074 1.00 0.00 H new ATOM 0 HA HIS C 4 -8.967 -0.735 1.420 1.00 0.00 H new ATOM 0 HB2 HIS C 4 -11.586 -0.457 2.985 1.00 0.00 H new ATOM 0 HB3 HIS C 4 -11.240 0.266 1.426 1.00 0.00 H new ATOM 0 HD1 HIS C 4 -13.447 -2.119 2.332 1.00 0.00 H new ATOM 0 HD2 HIS C 4 -10.008 -2.521 -0.078 1.00 0.00 H new ATOM 0 HE1 HIS C 4 -13.737 -4.232 0.931 1.00 0.00 H new ATOM 198 N LEU C 5 -8.292 1.442 2.451 1.00 0.00 N ATOM 199 CA LEU C 5 -7.826 2.685 3.083 1.00 0.00 C ATOM 200 C LEU C 5 -8.239 3.896 2.264 1.00 0.00 C ATOM 201 O LEU C 5 -7.884 4.006 1.092 1.00 0.00 O ATOM 202 CB LEU C 5 -6.301 2.659 3.226 1.00 0.00 C ATOM 203 CG LEU C 5 -5.790 4.015 3.748 1.00 0.00 C ATOM 204 CD1 LEU C 5 -6.422 4.304 5.109 1.00 0.00 C ATOM 205 CD2 LEU C 5 -4.253 3.985 3.881 1.00 0.00 C ATOM 0 H LEU C 5 -7.974 1.309 1.491 1.00 0.00 H new ATOM 0 HA LEU C 5 -8.284 2.759 4.069 1.00 0.00 H new ATOM 0 HB2 LEU C 5 -6.007 1.864 3.911 1.00 0.00 H new ATOM 0 HB3 LEU C 5 -5.842 2.436 2.263 1.00 0.00 H new ATOM 0 HG LEU C 5 -6.067 4.800 3.044 1.00 0.00 H new ATOM 0 HD11 LEU C 5 -6.062 5.263 5.481 1.00 0.00 H new ATOM 0 HD12 LEU C 5 -7.507 4.338 5.007 1.00 0.00 H new ATOM 0 HD13 LEU C 5 -6.149 3.517 5.812 1.00 0.00 H new ATOM 0 HD21 LEU C 5 -3.901 4.948 4.251 1.00 0.00 H new ATOM 0 HD22 LEU C 5 -3.964 3.200 4.580 1.00 0.00 H new ATOM 0 HD23 LEU C 5 -3.807 3.786 2.906 1.00 0.00 H new ATOM 217 N GLN C 6 -8.956 4.825 2.898 1.00 0.00 N ATOM 218 CA GLN C 6 -9.383 6.044 2.221 1.00 0.00 C ATOM 219 C GLN C 6 -9.082 7.248 3.109 1.00 0.00 C ATOM 220 O GLN C 6 -9.773 7.486 4.105 1.00 0.00 O ATOM 221 CB GLN C 6 -10.882 5.981 1.915 1.00 0.00 C ATOM 222 CG GLN C 6 -11.279 7.195 1.077 1.00 0.00 C ATOM 223 CD GLN C 6 -12.781 7.195 0.840 1.00 0.00 C ATOM 224 OE1 GLN C 6 -13.564 7.264 1.785 1.00 0.00 O ATOM 225 NE2 GLN C 6 -13.234 7.112 -0.382 1.00 0.00 N ATOM 0 H GLN C 6 -9.250 4.755 3.872 1.00 0.00 H new ATOM 0 HA GLN C 6 -8.840 6.142 1.281 1.00 0.00 H new ATOM 0 HB2 GLN C 6 -11.117 5.062 1.378 1.00 0.00 H new ATOM 0 HB3 GLN C 6 -11.454 5.963 2.843 1.00 0.00 H new ATOM 0 HG2 GLN C 6 -10.983 8.112 1.587 1.00 0.00 H new ATOM 0 HG3 GLN C 6 -10.752 7.177 0.123 1.00 0.00 H new ATOM 0 HE21 GLN C 6 -12.582 7.055 -1.165 1.00 0.00 H new ATOM 0 HE22 GLN C 6 -14.239 7.104 -0.554 1.00 0.00 H new ATOM 234 N ILE C 7 -8.047 8.000 2.741 1.00 0.00 N ATOM 235 CA ILE C 7 -7.647 9.188 3.505 1.00 0.00 C ATOM 236 C ILE C 7 -7.917 10.457 2.702 1.00 0.00 C ATOM 237 O ILE C 7 -8.167 11.475 3.322 1.00 0.00 O ATOM 238 CB ILE C 7 -6.159 9.103 3.843 1.00 0.00 C ATOM 239 CG1 ILE C 7 -5.864 7.781 4.564 1.00 0.00 C ATOM 240 CG2 ILE C 7 -5.753 10.275 4.733 1.00 0.00 C ATOM 241 CD1 ILE C 7 -6.708 7.673 5.843 1.00 0.00 C ATOM 242 OXT ILE C 7 -7.885 10.389 1.483 1.00 0.00 O ATOM 0 H ILE C 7 -7.469 7.812 1.922 1.00 0.00 H new ATOM 0 HA ILE C 7 -8.231 9.225 4.425 1.00 0.00 H new ATOM 0 HB ILE C 7 -5.585 9.146 2.917 1.00 0.00 H new ATOM 0 HG12 ILE C 7 -6.083 6.942 3.904 1.00 0.00 H new ATOM 0 HG13 ILE C 7 -4.804 7.723 4.813 1.00 0.00 H new ATOM 0 HG21 ILE C 7 -4.691 10.203 4.967 1.00 0.00 H new ATOM 0 HG22 ILE C 7 -5.947 11.212 4.212 1.00 0.00 H new ATOM 0 HG23 ILE C 7 -6.331 10.247 5.657 1.00 0.00 H new ATOM 0 HD11 ILE C 7 -6.489 6.731 6.345 1.00 0.00 H new ATOM 0 HD12 ILE C 7 -6.468 8.503 6.508 1.00 0.00 H new ATOM 0 HD13 ILE C 7 -7.766 7.709 5.585 1.00 0.00 H new ATOM 255 N ILE E 1 -5.483 -11.748 -0.202 1.00 0.00 N ATOM 256 CA ILE E 1 -5.587 -10.453 0.531 1.00 0.00 C ATOM 257 C ILE E 1 -5.662 -9.304 -0.475 1.00 0.00 C ATOM 258 O ILE E 1 -4.867 -9.237 -1.427 1.00 0.00 O ATOM 259 CB ILE E 1 -4.353 -10.277 1.429 1.00 0.00 C ATOM 260 CG1 ILE E 1 -4.333 -11.388 2.482 1.00 0.00 C ATOM 261 CG2 ILE E 1 -4.418 -8.917 2.122 1.00 0.00 C ATOM 262 CD1 ILE E 1 -2.987 -11.385 3.203 1.00 0.00 C ATOM 0 H1 ILE E 1 -5.879 -12.511 0.383 1.00 0.00 H new ATOM 0 H2 ILE E 1 -6.014 -11.685 -1.094 1.00 0.00 H new ATOM 0 H3 ILE E 1 -4.484 -11.952 -0.407 1.00 0.00 H new ATOM 0 HA ILE E 1 -6.486 -10.451 1.147 1.00 0.00 H new ATOM 0 HB ILE E 1 -3.448 -10.331 0.824 1.00 0.00 H new ATOM 0 HG12 ILE E 1 -5.141 -11.239 3.198 1.00 0.00 H new ATOM 0 HG13 ILE E 1 -4.501 -12.355 2.008 1.00 0.00 H new ATOM 0 HG21 ILE E 1 -3.543 -8.791 2.759 1.00 0.00 H new ATOM 0 HG22 ILE E 1 -4.437 -8.127 1.371 1.00 0.00 H new ATOM 0 HG23 ILE E 1 -5.321 -8.861 2.730 1.00 0.00 H new ATOM 0 HD11 ILE E 1 -2.974 -12.176 3.952 1.00 0.00 H new ATOM 0 HD12 ILE E 1 -2.188 -11.555 2.482 1.00 0.00 H new ATOM 0 HD13 ILE E 1 -2.837 -10.421 3.690 1.00 0.00 H new ATOM 276 N HIS E 2 -6.607 -8.381 -0.253 1.00 0.00 N ATOM 277 CA HIS E 2 -6.742 -7.239 -1.133 1.00 0.00 C ATOM 278 C HIS E 2 -6.378 -5.983 -0.351 1.00 0.00 C ATOM 279 O HIS E 2 -7.010 -5.686 0.661 1.00 0.00 O ATOM 280 CB HIS E 2 -8.223 -7.169 -1.567 1.00 0.00 C ATOM 281 CG HIS E 2 -8.539 -5.836 -2.193 1.00 0.00 C ATOM 282 ND1 HIS E 2 -9.809 -5.242 -2.130 1.00 0.00 N ATOM 283 CD2 HIS E 2 -7.767 -4.990 -2.933 1.00 0.00 C ATOM 284 CE1 HIS E 2 -9.751 -4.099 -2.823 1.00 0.00 C ATOM 285 NE2 HIS E 2 -8.541 -3.887 -3.337 1.00 0.00 N ATOM 0 H HIS E 2 -7.274 -8.411 0.518 1.00 0.00 H new ATOM 0 HA HIS E 2 -6.092 -7.323 -2.004 1.00 0.00 H new ATOM 0 HB2 HIS E 2 -8.436 -7.968 -2.277 1.00 0.00 H new ATOM 0 HB3 HIS E 2 -8.867 -7.331 -0.703 1.00 0.00 H new ATOM 0 HD1 HIS E 2 -10.626 -5.613 -1.645 1.00 0.00 H new ATOM 0 HD2 HIS E 2 -6.725 -5.143 -3.172 1.00 0.00 H new ATOM 0 HE1 HIS E 2 -10.587 -3.427 -2.951 1.00 0.00 H new ATOM 292 N VAL E 3 -5.392 -5.225 -0.835 1.00 0.00 N ATOM 293 CA VAL E 3 -5.014 -3.978 -0.163 1.00 0.00 C ATOM 294 C VAL E 3 -5.227 -2.800 -1.100 1.00 0.00 C ATOM 295 O VAL E 3 -4.614 -2.746 -2.167 1.00 0.00 O ATOM 296 CB VAL E 3 -3.543 -4.044 0.250 1.00 0.00 C ATOM 297 CG1 VAL E 3 -3.173 -2.770 1.003 1.00 0.00 C ATOM 298 CG2 VAL E 3 -3.314 -5.264 1.151 1.00 0.00 C ATOM 0 H VAL E 3 -4.851 -5.445 -1.671 1.00 0.00 H new ATOM 0 HA VAL E 3 -5.635 -3.847 0.723 1.00 0.00 H new ATOM 0 HB VAL E 3 -2.918 -4.135 -0.639 1.00 0.00 H new ATOM 0 HG11 VAL E 3 -2.125 -2.814 1.299 1.00 0.00 H new ATOM 0 HG12 VAL E 3 -3.332 -1.906 0.357 1.00 0.00 H new ATOM 0 HG13 VAL E 3 -3.797 -2.678 1.892 1.00 0.00 H new ATOM 0 HG21 VAL E 3 -2.265 -5.308 1.444 1.00 0.00 H new ATOM 0 HG22 VAL E 3 -3.936 -5.180 2.042 1.00 0.00 H new ATOM 0 HG23 VAL E 3 -3.578 -6.172 0.608 1.00 0.00 H new ATOM 308 N HIS E 4 -6.067 -1.833 -0.696 1.00 0.00 N ATOM 309 CA HIS E 4 -6.294 -0.656 -1.505 1.00 0.00 C ATOM 310 C HIS E 4 -5.890 0.620 -0.770 1.00 0.00 C ATOM 311 O HIS E 4 -6.301 0.837 0.372 1.00 0.00 O ATOM 312 CB HIS E 4 -7.775 -0.619 -1.923 1.00 0.00 C ATOM 313 CG HIS E 4 -7.925 0.208 -3.169 1.00 0.00 C ATOM 314 ND1 HIS E 4 -8.326 -0.309 -4.413 1.00 0.00 N ATOM 315 CD2 HIS E 4 -7.729 1.533 -3.362 1.00 0.00 C ATOM 316 CE1 HIS E 4 -8.355 0.715 -5.278 1.00 0.00 C ATOM 317 NE2 HIS E 4 -8.003 1.864 -4.691 1.00 0.00 N ATOM 0 H HIS E 4 -6.589 -1.855 0.180 1.00 0.00 H new ATOM 0 HA HIS E 4 -5.668 -0.709 -2.396 1.00 0.00 H new ATOM 0 HB2 HIS E 4 -8.139 -1.631 -2.100 1.00 0.00 H new ATOM 0 HB3 HIS E 4 -8.380 -0.198 -1.120 1.00 0.00 H new ATOM 0 HD2 HIS E 4 -7.409 2.230 -2.602 1.00 0.00 H new ATOM 0 HE1 HIS E 4 -8.628 0.623 -6.319 1.00 0.00 H new ATOM 0 HE2 HIS E 4 -7.947 2.787 -5.122 1.00 0.00 H new ATOM 325 N LEU E 5 -5.110 1.471 -1.438 1.00 0.00 N ATOM 326 CA LEU E 5 -4.672 2.736 -0.837 1.00 0.00 C ATOM 327 C LEU E 5 -5.134 3.912 -1.684 1.00 0.00 C ATOM 328 O LEU E 5 -4.637 4.112 -2.789 1.00 0.00 O ATOM 329 CB LEU E 5 -3.149 2.758 -0.749 1.00 0.00 C ATOM 330 CG LEU E 5 -2.651 1.505 -0.018 1.00 0.00 C ATOM 331 CD1 LEU E 5 -1.104 1.507 0.030 1.00 0.00 C ATOM 332 CD2 LEU E 5 -3.235 1.467 1.409 1.00 0.00 C ATOM 0 H LEU E 5 -4.770 1.312 -2.386 1.00 0.00 H new ATOM 0 HA LEU E 5 -5.106 2.818 0.159 1.00 0.00 H new ATOM 0 HB2 LEU E 5 -2.719 2.801 -1.750 1.00 0.00 H new ATOM 0 HB3 LEU E 5 -2.819 3.653 -0.221 1.00 0.00 H new ATOM 0 HG LEU E 5 -2.983 0.616 -0.555 1.00 0.00 H new ATOM 0 HD11 LEU E 5 -0.755 0.615 0.550 1.00 0.00 H new ATOM 0 HD12 LEU E 5 -0.708 1.513 -0.986 1.00 0.00 H new ATOM 0 HD13 LEU E 5 -0.758 2.395 0.559 1.00 0.00 H new ATOM 0 HD21 LEU E 5 -2.878 0.575 1.924 1.00 0.00 H new ATOM 0 HD22 LEU E 5 -2.916 2.354 1.956 1.00 0.00 H new ATOM 0 HD23 LEU E 5 -4.323 1.445 1.356 1.00 0.00 H new ATOM 344 N GLN E 6 -6.070 4.700 -1.150 1.00 0.00 N ATOM 345 CA GLN E 6 -6.582 5.870 -1.866 1.00 0.00 C ATOM 346 C GLN E 6 -6.346 7.117 -1.028 1.00 0.00 C ATOM 347 O GLN E 6 -7.003 7.319 -0.007 1.00 0.00 O ATOM 348 CB GLN E 6 -8.078 5.700 -2.142 1.00 0.00 C ATOM 349 CG GLN E 6 -8.578 6.887 -2.964 1.00 0.00 C ATOM 350 CD GLN E 6 -10.077 6.778 -3.187 1.00 0.00 C ATOM 351 OE1 GLN E 6 -10.858 6.765 -2.233 1.00 0.00 O ATOM 352 NE2 GLN E 6 -10.523 6.691 -4.412 1.00 0.00 N ATOM 0 H GLN E 6 -6.486 4.551 -0.231 1.00 0.00 H new ATOM 0 HA GLN E 6 -6.059 5.970 -2.817 1.00 0.00 H new ATOM 0 HB2 GLN E 6 -8.257 4.769 -2.680 1.00 0.00 H new ATOM 0 HB3 GLN E 6 -8.628 5.636 -1.203 1.00 0.00 H new ATOM 0 HG2 GLN E 6 -8.347 7.819 -2.448 1.00 0.00 H new ATOM 0 HG3 GLN E 6 -8.062 6.917 -3.923 1.00 0.00 H new ATOM 0 HE21 GLN E 6 -9.869 6.703 -5.195 1.00 0.00 H new ATOM 0 HE22 GLN E 6 -11.525 6.612 -4.585 1.00 0.00 H new ATOM 361 N ILE E 7 -5.400 7.944 -1.467 1.00 0.00 N ATOM 362 CA ILE E 7 -5.062 9.176 -0.750 1.00 0.00 C ATOM 363 C ILE E 7 -5.307 10.393 -1.632 1.00 0.00 C ATOM 364 O ILE E 7 -5.159 10.271 -2.836 1.00 0.00 O ATOM 365 CB ILE E 7 -3.582 9.131 -0.328 1.00 0.00 C ATOM 366 CG1 ILE E 7 -3.205 7.718 0.162 1.00 0.00 C ATOM 367 CG2 ILE E 7 -3.319 10.139 0.789 1.00 0.00 C ATOM 368 CD1 ILE E 7 -3.976 7.369 1.439 1.00 0.00 C ATOM 369 OXT ILE E 7 -5.649 11.425 -1.084 1.00 0.00 O ATOM 0 H ILE E 7 -4.854 7.786 -2.314 1.00 0.00 H new ATOM 0 HA ILE E 7 -5.695 9.255 0.134 1.00 0.00 H new ATOM 0 HB ILE E 7 -2.972 9.385 -1.195 1.00 0.00 H new ATOM 0 HG12 ILE E 7 -3.426 6.986 -0.615 1.00 0.00 H new ATOM 0 HG13 ILE E 7 -2.133 7.667 0.352 1.00 0.00 H new ATOM 0 HG21 ILE E 7 -2.269 10.096 1.078 1.00 0.00 H new ATOM 0 HG22 ILE E 7 -3.558 11.143 0.437 1.00 0.00 H new ATOM 0 HG23 ILE E 7 -3.942 9.898 1.650 1.00 0.00 H new ATOM 0 HD11 ILE E 7 -3.697 6.369 1.770 1.00 0.00 H new ATOM 0 HD12 ILE E 7 -3.733 8.090 2.219 1.00 0.00 H new ATOM 0 HD13 ILE E 7 -5.047 7.399 1.237 1.00 0.00 H new ATOM 382 N ILE G 1 -1.603 -11.668 -3.683 1.00 0.00 N ATOM 383 CA ILE G 1 -2.219 -10.428 -3.137 1.00 0.00 C ATOM 384 C ILE G 1 -2.297 -9.366 -4.225 1.00 0.00 C ATOM 385 O ILE G 1 -1.403 -9.255 -5.080 1.00 0.00 O ATOM 386 CB ILE G 1 -1.369 -9.905 -1.959 1.00 0.00 C ATOM 387 CG1 ILE G 1 -1.679 -8.420 -1.703 1.00 0.00 C ATOM 388 CG2 ILE G 1 0.111 -10.068 -2.282 1.00 0.00 C ATOM 389 CD1 ILE G 1 -1.132 -8.013 -0.350 1.00 0.00 C ATOM 0 H1 ILE G 1 -1.244 -12.251 -2.900 1.00 0.00 H new ATOM 0 H2 ILE G 1 -2.317 -12.205 -4.215 1.00 0.00 H new ATOM 0 H3 ILE G 1 -0.817 -11.416 -4.316 1.00 0.00 H new ATOM 0 HA ILE G 1 -3.226 -10.652 -2.786 1.00 0.00 H new ATOM 0 HB ILE G 1 -1.612 -10.479 -1.065 1.00 0.00 H new ATOM 0 HG12 ILE G 1 -1.235 -7.805 -2.486 1.00 0.00 H new ATOM 0 HG13 ILE G 1 -2.755 -8.252 -1.737 1.00 0.00 H new ATOM 0 HG21 ILE G 1 0.708 -9.698 -1.449 1.00 0.00 H new ATOM 0 HG22 ILE G 1 0.333 -11.122 -2.448 1.00 0.00 H new ATOM 0 HG23 ILE G 1 0.352 -9.501 -3.181 1.00 0.00 H new ATOM 0 HD11 ILE G 1 -1.352 -6.961 -0.170 1.00 0.00 H new ATOM 0 HD12 ILE G 1 -1.597 -8.619 0.428 1.00 0.00 H new ATOM 0 HD13 ILE G 1 -0.053 -8.166 -0.333 1.00 0.00 H new ATOM 403 N HIS G 2 -3.345 -8.544 -4.151 1.00 0.00 N ATOM 404 CA HIS G 2 -3.481 -7.443 -5.103 1.00 0.00 C ATOM 405 C HIS G 2 -3.257 -6.142 -4.346 1.00 0.00 C ATOM 406 O HIS G 2 -3.963 -5.857 -3.381 1.00 0.00 O ATOM 407 CB HIS G 2 -4.897 -7.450 -5.722 1.00 0.00 C ATOM 408 CG HIS G 2 -4.927 -8.296 -6.970 1.00 0.00 C ATOM 409 ND1 HIS G 2 -5.194 -7.760 -8.224 1.00 0.00 N ATOM 410 CD2 HIS G 2 -4.730 -9.639 -7.171 1.00 0.00 C ATOM 411 CE1 HIS G 2 -5.149 -8.769 -9.112 1.00 0.00 C ATOM 412 NE2 HIS G 2 -4.869 -9.935 -8.524 1.00 0.00 N ATOM 0 H HIS G 2 -4.093 -8.616 -3.461 1.00 0.00 H new ATOM 0 HA HIS G 2 -2.754 -7.548 -5.908 1.00 0.00 H new ATOM 0 HB2 HIS G 2 -5.614 -7.836 -4.998 1.00 0.00 H new ATOM 0 HB3 HIS G 2 -5.201 -6.431 -5.960 1.00 0.00 H new ATOM 0 HD2 HIS G 2 -4.502 -10.357 -6.397 1.00 0.00 H new ATOM 0 HE1 HIS G 2 -5.319 -8.651 -10.172 1.00 0.00 H new ATOM 0 HE2 HIS G 2 -4.777 -10.847 -8.971 1.00 0.00 H new ATOM 420 N VAL G 3 -2.298 -5.335 -4.807 1.00 0.00 N ATOM 421 CA VAL G 3 -2.027 -4.048 -4.167 1.00 0.00 C ATOM 422 C VAL G 3 -2.334 -2.920 -5.131 1.00 0.00 C ATOM 423 O VAL G 3 -1.789 -2.877 -6.239 1.00 0.00 O ATOM 424 CB VAL G 3 -0.566 -3.980 -3.742 1.00 0.00 C ATOM 425 CG1 VAL G 3 -0.306 -2.639 -3.048 1.00 0.00 C ATOM 426 CG2 VAL G 3 -0.260 -5.143 -2.778 1.00 0.00 C ATOM 0 H VAL G 3 -1.705 -5.547 -5.609 1.00 0.00 H new ATOM 0 HA VAL G 3 -2.661 -3.947 -3.286 1.00 0.00 H new ATOM 0 HB VAL G 3 0.080 -4.063 -4.616 1.00 0.00 H new ATOM 0 HG11 VAL G 3 0.739 -2.585 -2.741 1.00 0.00 H new ATOM 0 HG12 VAL G 3 -0.525 -1.824 -3.738 1.00 0.00 H new ATOM 0 HG13 VAL G 3 -0.947 -2.553 -2.170 1.00 0.00 H new ATOM 0 HG21 VAL G 3 0.785 -5.097 -2.472 1.00 0.00 H new ATOM 0 HG22 VAL G 3 -0.899 -5.064 -1.899 1.00 0.00 H new ATOM 0 HG23 VAL G 3 -0.449 -6.092 -3.281 1.00 0.00 H new ATOM 436 N HIS G 4 -3.192 -1.995 -4.706 1.00 0.00 N ATOM 437 CA HIS G 4 -3.554 -0.847 -5.545 1.00 0.00 C ATOM 438 C HIS G 4 -3.137 0.441 -4.849 1.00 0.00 C ATOM 439 O HIS G 4 -3.469 0.642 -3.678 1.00 0.00 O ATOM 440 CB HIS G 4 -5.089 -0.842 -5.801 1.00 0.00 C ATOM 441 CG HIS G 4 -5.559 -2.152 -6.448 1.00 0.00 C ATOM 442 ND1 HIS G 4 -6.767 -2.778 -6.103 1.00 0.00 N ATOM 443 CD2 HIS G 4 -4.990 -2.976 -7.403 1.00 0.00 C ATOM 444 CE1 HIS G 4 -6.864 -3.908 -6.827 1.00 0.00 C ATOM 445 NE2 HIS G 4 -5.812 -4.080 -7.632 1.00 0.00 N ATOM 0 H HIS G 4 -3.648 -2.014 -3.794 1.00 0.00 H new ATOM 0 HA HIS G 4 -3.038 -0.921 -6.502 1.00 0.00 H new ATOM 0 HB2 HIS G 4 -5.615 -0.692 -4.858 1.00 0.00 H new ATOM 0 HB3 HIS G 4 -5.348 -0.003 -6.447 1.00 0.00 H new ATOM 0 HD1 HIS G 4 -7.449 -2.437 -5.425 1.00 0.00 H new ATOM 0 HD2 HIS G 4 -4.048 -2.792 -7.898 1.00 0.00 H new ATOM 0 HE1 HIS G 4 -7.695 -4.595 -6.765 1.00 0.00 H new ATOM 452 N LEU G 5 -2.421 1.316 -5.559 1.00 0.00 N ATOM 453 CA LEU G 5 -1.982 2.594 -4.978 1.00 0.00 C ATOM 454 C LEU G 5 -2.454 3.768 -5.816 1.00 0.00 C ATOM 455 O LEU G 5 -2.126 3.862 -6.999 1.00 0.00 O ATOM 456 CB LEU G 5 -0.457 2.620 -4.865 1.00 0.00 C ATOM 457 CG LEU G 5 0.016 4.002 -4.388 1.00 0.00 C ATOM 458 CD1 LEU G 5 -0.611 4.309 -3.027 1.00 0.00 C ATOM 459 CD2 LEU G 5 1.552 4.026 -4.278 1.00 0.00 C ATOM 0 H LEU G 5 -2.134 1.169 -6.527 1.00 0.00 H new ATOM 0 HA LEU G 5 -2.423 2.683 -3.985 1.00 0.00 H new ATOM 0 HB2 LEU G 5 -0.124 1.852 -4.167 1.00 0.00 H new ATOM 0 HB3 LEU G 5 -0.009 2.388 -5.831 1.00 0.00 H new ATOM 0 HG LEU G 5 -0.294 4.759 -5.109 1.00 0.00 H new ATOM 0 HD11 LEU G 5 -0.278 5.289 -2.685 1.00 0.00 H new ATOM 0 HD12 LEU G 5 -1.697 4.307 -3.118 1.00 0.00 H new ATOM 0 HD13 LEU G 5 -0.306 3.550 -2.306 1.00 0.00 H new ATOM 0 HD21 LEU G 5 1.877 5.010 -3.939 1.00 0.00 H new ATOM 0 HD22 LEU G 5 1.877 3.270 -3.563 1.00 0.00 H new ATOM 0 HD23 LEU G 5 1.990 3.815 -5.254 1.00 0.00 H new ATOM 471 N GLN G 6 -3.194 4.685 -5.189 1.00 0.00 N ATOM 472 CA GLN G 6 -3.681 5.871 -5.884 1.00 0.00 C ATOM 473 C GLN G 6 -3.396 7.108 -5.043 1.00 0.00 C ATOM 474 O GLN G 6 -4.072 7.355 -4.045 1.00 0.00 O ATOM 475 CB GLN G 6 -5.186 5.746 -6.142 1.00 0.00 C ATOM 476 CG GLN G 6 -5.658 6.929 -6.984 1.00 0.00 C ATOM 477 CD GLN G 6 -7.170 6.862 -7.188 1.00 0.00 C ATOM 478 OE1 GLN G 6 -7.949 6.906 -6.229 1.00 0.00 O ATOM 479 NE2 GLN G 6 -7.631 6.741 -8.403 1.00 0.00 N ATOM 0 H GLN G 6 -3.466 4.627 -4.208 1.00 0.00 H new ATOM 0 HA GLN G 6 -3.168 5.963 -6.841 1.00 0.00 H new ATOM 0 HB2 GLN G 6 -5.401 4.810 -6.658 1.00 0.00 H new ATOM 0 HB3 GLN G 6 -5.727 5.720 -5.196 1.00 0.00 H new ATOM 0 HG2 GLN G 6 -5.391 7.864 -6.492 1.00 0.00 H new ATOM 0 HG3 GLN G 6 -5.153 6.922 -7.950 1.00 0.00 H new ATOM 0 HE21 GLN G 6 -6.986 6.705 -9.192 1.00 0.00 H new ATOM 0 HE22 GLN G 6 -8.637 6.682 -8.563 1.00 0.00 H new ATOM 488 N ILE G 7 -2.388 7.876 -5.451 1.00 0.00 N ATOM 489 CA ILE G 7 -2.007 9.099 -4.734 1.00 0.00 C ATOM 490 C ILE G 7 -2.349 10.335 -5.559 1.00 0.00 C ATOM 491 O ILE G 7 -2.631 11.356 -4.958 1.00 0.00 O ATOM 492 CB ILE G 7 -0.505 9.076 -4.440 1.00 0.00 C ATOM 493 CG1 ILE G 7 -0.144 7.781 -3.700 1.00 0.00 C ATOM 494 CG2 ILE G 7 -0.123 10.283 -3.584 1.00 0.00 C ATOM 495 CD1 ILE G 7 -0.935 7.677 -2.387 1.00 0.00 C ATOM 496 OXT ILE G 7 -2.340 10.237 -6.775 1.00 0.00 O ATOM 0 H ILE G 7 -1.818 7.676 -6.273 1.00 0.00 H new ATOM 0 HA ILE G 7 -2.563 9.141 -3.798 1.00 0.00 H new ATOM 0 HB ILE G 7 0.044 9.119 -5.381 1.00 0.00 H new ATOM 0 HG12 ILE G 7 -0.362 6.920 -4.332 1.00 0.00 H new ATOM 0 HG13 ILE G 7 0.925 7.760 -3.490 1.00 0.00 H new ATOM 0 HG21 ILE G 7 0.947 10.260 -3.379 1.00 0.00 H new ATOM 0 HG22 ILE G 7 -0.370 11.201 -4.118 1.00 0.00 H new ATOM 0 HG23 ILE G 7 -0.673 10.251 -2.644 1.00 0.00 H new ATOM 0 HD11 ILE G 7 -0.668 6.753 -1.874 1.00 0.00 H new ATOM 0 HD12 ILE G 7 -0.696 8.528 -1.750 1.00 0.00 H new ATOM 0 HD13 ILE G 7 -2.003 7.675 -2.605 1.00 0.00 H new ATOM 509 N ILE I 1 1.033 -11.792 -7.827 1.00 0.00 N ATOM 510 CA ILE I 1 0.911 -10.492 -7.112 1.00 0.00 C ATOM 511 C ILE I 1 0.762 -9.369 -8.131 1.00 0.00 C ATOM 512 O ILE I 1 1.522 -9.297 -9.101 1.00 0.00 O ATOM 513 CB ILE I 1 2.166 -10.258 -6.264 1.00 0.00 C ATOM 514 CG1 ILE I 1 2.246 -11.336 -5.177 1.00 0.00 C ATOM 515 CG2 ILE I 1 2.094 -8.873 -5.617 1.00 0.00 C ATOM 516 CD1 ILE I 1 3.606 -11.265 -4.489 1.00 0.00 C ATOM 0 H1 ILE I 1 0.716 -12.562 -7.204 1.00 0.00 H new ATOM 0 H2 ILE I 1 0.443 -11.774 -8.683 1.00 0.00 H new ATOM 0 H3 ILE I 1 2.026 -11.949 -8.094 1.00 0.00 H new ATOM 0 HA ILE I 1 0.036 -10.510 -6.463 1.00 0.00 H new ATOM 0 HB ILE I 1 3.053 -10.312 -6.895 1.00 0.00 H new ATOM 0 HG12 ILE I 1 1.449 -11.191 -4.447 1.00 0.00 H new ATOM 0 HG13 ILE I 1 2.100 -12.323 -5.617 1.00 0.00 H new ATOM 0 HG21 ILE I 1 2.986 -8.706 -5.014 1.00 0.00 H new ATOM 0 HG22 ILE I 1 2.034 -8.111 -6.394 1.00 0.00 H new ATOM 0 HG23 ILE I 1 1.210 -8.814 -4.982 1.00 0.00 H new ATOM 0 HD11 ILE I 1 3.663 -12.031 -3.716 1.00 0.00 H new ATOM 0 HD12 ILE I 1 4.394 -11.431 -5.223 1.00 0.00 H new ATOM 0 HD13 ILE I 1 3.733 -10.282 -4.035 1.00 0.00 H new ATOM 530 N HIS I 2 -0.212 -8.479 -7.903 1.00 0.00 N ATOM 531 CA HIS I 2 -0.419 -7.361 -8.801 1.00 0.00 C ATOM 532 C HIS I 2 -0.086 -6.075 -8.059 1.00 0.00 C ATOM 533 O HIS I 2 -0.694 -5.780 -7.033 1.00 0.00 O ATOM 534 CB HIS I 2 -1.910 -7.364 -9.200 1.00 0.00 C ATOM 535 CG HIS I 2 -2.289 -6.072 -9.870 1.00 0.00 C ATOM 536 ND1 HIS I 2 -3.591 -5.544 -9.831 1.00 0.00 N ATOM 537 CD2 HIS I 2 -1.560 -5.201 -10.623 1.00 0.00 C ATOM 538 CE1 HIS I 2 -3.587 -4.412 -10.543 1.00 0.00 C ATOM 539 NE2 HIS I 2 -2.386 -4.147 -11.052 1.00 0.00 N ATOM 0 H HIS I 2 -0.856 -8.519 -7.113 1.00 0.00 H new ATOM 0 HA HIS I 2 0.212 -7.436 -9.687 1.00 0.00 H new ATOM 0 HB2 HIS I 2 -2.109 -8.199 -9.872 1.00 0.00 H new ATOM 0 HB3 HIS I 2 -2.527 -7.514 -8.314 1.00 0.00 H new ATOM 0 HD1 HIS I 2 -4.392 -5.950 -9.348 1.00 0.00 H new ATOM 0 HD2 HIS I 2 -0.510 -5.304 -10.854 1.00 0.00 H new ATOM 0 HE1 HIS I 2 -4.456 -3.787 -10.688 1.00 0.00 H new ATOM 546 N VAL I 3 0.847 -5.286 -8.597 1.00 0.00 N ATOM 547 CA VAL I 3 1.195 -4.010 -7.967 1.00 0.00 C ATOM 548 C VAL I 3 0.901 -2.862 -8.915 1.00 0.00 C ATOM 549 O VAL I 3 1.475 -2.808 -10.002 1.00 0.00 O ATOM 550 CB VAL I 3 2.681 -4.006 -7.608 1.00 0.00 C ATOM 551 CG1 VAL I 3 3.030 -2.685 -6.926 1.00 0.00 C ATOM 552 CG2 VAL I 3 2.984 -5.176 -6.659 1.00 0.00 C ATOM 0 H VAL I 3 1.365 -5.501 -9.449 1.00 0.00 H new ATOM 0 HA VAL I 3 0.599 -3.887 -7.063 1.00 0.00 H new ATOM 0 HB VAL I 3 3.278 -4.116 -8.514 1.00 0.00 H new ATOM 0 HG11 VAL I 3 4.089 -2.677 -6.668 1.00 0.00 H new ATOM 0 HG12 VAL I 3 2.816 -1.858 -7.603 1.00 0.00 H new ATOM 0 HG13 VAL I 3 2.435 -2.575 -6.019 1.00 0.00 H new ATOM 0 HG21 VAL I 3 4.044 -5.172 -6.404 1.00 0.00 H new ATOM 0 HG22 VAL I 3 2.391 -5.070 -5.750 1.00 0.00 H new ATOM 0 HG23 VAL I 3 2.732 -6.117 -7.149 1.00 0.00 H new ATOM 562 N HIS I 4 0.038 -1.919 -8.503 1.00 0.00 N ATOM 563 CA HIS I 4 -0.251 -0.769 -9.334 1.00 0.00 C ATOM 564 C HIS I 4 0.124 0.540 -8.650 1.00 0.00 C ATOM 565 O HIS I 4 -0.279 0.783 -7.509 1.00 0.00 O ATOM 566 CB HIS I 4 -1.741 -0.796 -9.720 1.00 0.00 C ATOM 567 CG HIS I 4 -1.942 -0.018 -10.990 1.00 0.00 C ATOM 568 ND1 HIS I 4 -2.349 -0.590 -12.208 1.00 0.00 N ATOM 569 CD2 HIS I 4 -1.785 1.302 -11.231 1.00 0.00 C ATOM 570 CE1 HIS I 4 -2.421 0.402 -13.109 1.00 0.00 C ATOM 571 NE2 HIS I 4 -2.091 1.580 -12.566 1.00 0.00 N ATOM 0 H HIS I 4 -0.458 -1.940 -7.612 1.00 0.00 H new ATOM 0 HA HIS I 4 0.359 -0.824 -10.236 1.00 0.00 H new ATOM 0 HB2 HIS I 4 -2.075 -1.825 -9.854 1.00 0.00 H new ATOM 0 HB3 HIS I 4 -2.343 -0.368 -8.919 1.00 0.00 H new ATOM 0 HD2 HIS I 4 -1.470 2.033 -10.501 1.00 0.00 H new ATOM 0 HE1 HIS I 4 -2.709 0.267 -14.141 1.00 0.00 H new ATOM 0 HE2 HIS I 4 -2.068 2.489 -13.029 1.00 0.00 H new ATOM 579 N LEU I 5 0.864 1.391 -9.365 1.00 0.00 N ATOM 580 CA LEU I 5 1.273 2.691 -8.831 1.00 0.00 C ATOM 581 C LEU I 5 0.742 3.816 -9.705 1.00 0.00 C ATOM 582 O LEU I 5 1.208 4.000 -10.827 1.00 0.00 O ATOM 583 CB LEU I 5 2.796 2.773 -8.794 1.00 0.00 C ATOM 584 CG LEU I 5 3.366 1.554 -8.057 1.00 0.00 C ATOM 585 CD1 LEU I 5 4.913 1.628 -8.038 1.00 0.00 C ATOM 586 CD2 LEU I 5 2.811 1.512 -6.623 1.00 0.00 C ATOM 0 H LEU I 5 1.191 1.203 -10.313 1.00 0.00 H new ATOM 0 HA LEU I 5 0.867 2.795 -7.825 1.00 0.00 H new ATOM 0 HB2 LEU I 5 3.192 2.813 -9.809 1.00 0.00 H new ATOM 0 HB3 LEU I 5 3.108 3.690 -8.294 1.00 0.00 H new ATOM 0 HG LEU I 5 3.068 0.643 -8.576 1.00 0.00 H new ATOM 0 HD11 LEU I 5 5.312 0.760 -7.513 1.00 0.00 H new ATOM 0 HD12 LEU I 5 5.289 1.639 -9.061 1.00 0.00 H new ATOM 0 HD13 LEU I 5 5.227 2.538 -7.526 1.00 0.00 H new ATOM 0 HD21 LEU I 5 3.217 0.645 -6.101 1.00 0.00 H new ATOM 0 HD22 LEU I 5 3.098 2.421 -6.095 1.00 0.00 H new ATOM 0 HD23 LEU I 5 1.724 1.439 -6.656 1.00 0.00 H new ATOM 598 N GLN I 6 -0.220 4.579 -9.177 1.00 0.00 N ATOM 599 CA GLN I 6 -0.797 5.701 -9.919 1.00 0.00 C ATOM 600 C GLN I 6 -0.585 6.986 -9.138 1.00 0.00 C ATOM 601 O GLN I 6 -1.237 7.213 -8.122 1.00 0.00 O ATOM 602 CB GLN I 6 -2.294 5.463 -10.150 1.00 0.00 C ATOM 603 CG GLN I 6 -2.871 6.619 -10.958 1.00 0.00 C ATOM 604 CD GLN I 6 -4.368 6.437 -11.157 1.00 0.00 C ATOM 605 OE1 GLN I 6 -5.138 6.383 -10.197 1.00 0.00 O ATOM 606 NE2 GLN I 6 -4.823 6.326 -12.376 1.00 0.00 N ATOM 0 H GLN I 6 -0.612 4.441 -8.246 1.00 0.00 H new ATOM 0 HA GLN I 6 -0.305 5.785 -10.888 1.00 0.00 H new ATOM 0 HB2 GLN I 6 -2.447 4.523 -10.680 1.00 0.00 H new ATOM 0 HB3 GLN I 6 -2.812 5.378 -9.195 1.00 0.00 H new ATOM 0 HG2 GLN I 6 -2.679 7.561 -10.444 1.00 0.00 H new ATOM 0 HG3 GLN I 6 -2.374 6.677 -11.926 1.00 0.00 H new ATOM 0 HE21 GLN I 6 -4.180 6.372 -13.166 1.00 0.00 H new ATOM 0 HE22 GLN I 6 -5.821 6.194 -12.538 1.00 0.00 H new ATOM 615 N ILE I 7 0.336 7.819 -9.624 1.00 0.00 N ATOM 616 CA ILE I 7 0.656 9.087 -8.965 1.00 0.00 C ATOM 617 C ILE I 7 0.374 10.261 -9.893 1.00 0.00 C ATOM 618 O ILE I 7 0.505 10.091 -11.092 1.00 0.00 O ATOM 619 CB ILE I 7 2.139 9.091 -8.550 1.00 0.00 C ATOM 620 CG1 ILE I 7 2.540 7.708 -8.004 1.00 0.00 C ATOM 621 CG2 ILE I 7 2.380 10.151 -7.473 1.00 0.00 C ATOM 622 CD1 ILE I 7 1.781 7.396 -6.710 1.00 0.00 C ATOM 623 OXT ILE I 7 0.017 11.307 -9.383 1.00 0.00 O ATOM 0 H ILE I 7 0.874 7.639 -10.472 1.00 0.00 H new ATOM 0 HA ILE I 7 0.029 9.191 -8.079 1.00 0.00 H new ATOM 0 HB ILE I 7 2.745 9.322 -9.426 1.00 0.00 H new ATOM 0 HG12 ILE I 7 2.328 6.942 -8.750 1.00 0.00 H new ATOM 0 HG13 ILE I 7 3.614 7.683 -7.817 1.00 0.00 H new ATOM 0 HG21 ILE I 7 3.432 10.146 -7.186 1.00 0.00 H new ATOM 0 HG22 ILE I 7 2.115 11.133 -7.864 1.00 0.00 H new ATOM 0 HG23 ILE I 7 1.765 9.930 -6.601 1.00 0.00 H new ATOM 0 HD11 ILE I 7 2.079 6.415 -6.341 1.00 0.00 H new ATOM 0 HD12 ILE I 7 2.014 8.152 -5.960 1.00 0.00 H new ATOM 0 HD13 ILE I 7 0.709 7.399 -6.907 1.00 0.00 H new ATOM 636 N ILE K 1 4.629 -11.805 -11.257 1.00 0.00 N ATOM 637 CA ILE K 1 4.061 -10.531 -10.730 1.00 0.00 C ATOM 638 C ILE K 1 3.920 -9.521 -11.858 1.00 0.00 C ATOM 639 O ILE K 1 4.790 -9.417 -12.723 1.00 0.00 O ATOM 640 CB ILE K 1 5.001 -9.959 -9.645 1.00 0.00 C ATOM 641 CG1 ILE K 1 4.684 -8.475 -9.408 1.00 0.00 C ATOM 642 CG2 ILE K 1 6.454 -10.114 -10.092 1.00 0.00 C ATOM 643 CD1 ILE K 1 5.294 -8.024 -8.096 1.00 0.00 C ATOM 0 H1 ILE K 1 5.050 -12.347 -10.475 1.00 0.00 H new ATOM 0 H2 ILE K 1 3.873 -12.365 -11.699 1.00 0.00 H new ATOM 0 H3 ILE K 1 5.361 -11.592 -11.964 1.00 0.00 H new ATOM 0 HA ILE K 1 3.079 -10.728 -10.299 1.00 0.00 H new ATOM 0 HB ILE K 1 4.850 -10.507 -8.715 1.00 0.00 H new ATOM 0 HG12 ILE K 1 5.077 -7.874 -10.228 1.00 0.00 H new ATOM 0 HG13 ILE K 1 3.605 -8.322 -9.390 1.00 0.00 H new ATOM 0 HG21 ILE K 1 7.116 -9.710 -9.326 1.00 0.00 H new ATOM 0 HG22 ILE K 1 6.677 -11.170 -10.244 1.00 0.00 H new ATOM 0 HG23 ILE K 1 6.607 -9.573 -11.026 1.00 0.00 H new ATOM 0 HD11 ILE K 1 5.067 -6.971 -7.932 1.00 0.00 H new ATOM 0 HD12 ILE K 1 4.880 -8.616 -7.280 1.00 0.00 H new ATOM 0 HD13 ILE K 1 6.375 -8.161 -8.131 1.00 0.00 H new ATOM 657 N HIS K 2 2.846 -8.731 -11.801 1.00 0.00 N ATOM 658 CA HIS K 2 2.645 -7.672 -12.788 1.00 0.00 C ATOM 659 C HIS K 2 2.872 -6.340 -12.085 1.00 0.00 C ATOM 660 O HIS K 2 2.217 -6.047 -11.087 1.00 0.00 O ATOM 661 CB HIS K 2 1.199 -7.725 -13.331 1.00 0.00 C ATOM 662 CG HIS K 2 1.123 -8.590 -14.558 1.00 0.00 C ATOM 663 ND1 HIS K 2 0.779 -8.083 -15.806 1.00 0.00 N ATOM 664 CD2 HIS K 2 1.329 -9.933 -14.740 1.00 0.00 C ATOM 665 CE1 HIS K 2 0.786 -9.112 -16.672 1.00 0.00 C ATOM 666 NE2 HIS K 2 1.115 -10.262 -16.075 1.00 0.00 N ATOM 0 H HIS K 2 2.114 -8.803 -11.094 1.00 0.00 H new ATOM 0 HA HIS K 2 3.335 -7.795 -13.623 1.00 0.00 H new ATOM 0 HB2 HIS K 2 0.531 -8.115 -12.563 1.00 0.00 H new ATOM 0 HB3 HIS K 2 0.857 -6.718 -13.569 1.00 0.00 H new ATOM 0 HD2 HIS K 2 1.614 -10.630 -13.965 1.00 0.00 H new ATOM 0 HE1 HIS K 2 0.554 -9.020 -17.723 1.00 0.00 H new ATOM 0 HE2 HIS K 2 1.193 -11.183 -16.506 1.00 0.00 H new ATOM 674 N VAL K 3 3.780 -5.525 -12.616 1.00 0.00 N ATOM 675 CA VAL K 3 4.048 -4.214 -12.022 1.00 0.00 C ATOM 676 C VAL K 3 3.649 -3.119 -12.991 1.00 0.00 C ATOM 677 O VAL K 3 4.117 -3.096 -14.128 1.00 0.00 O ATOM 678 CB VAL K 3 5.531 -4.088 -11.691 1.00 0.00 C ATOM 679 CG1 VAL K 3 5.789 -2.735 -11.027 1.00 0.00 C ATOM 680 CG2 VAL K 3 5.941 -5.226 -10.746 1.00 0.00 C ATOM 0 H VAL K 3 4.336 -5.742 -13.443 1.00 0.00 H new ATOM 0 HA VAL K 3 3.466 -4.114 -11.106 1.00 0.00 H new ATOM 0 HB VAL K 3 6.120 -4.155 -12.605 1.00 0.00 H new ATOM 0 HG11 VAL K 3 6.849 -2.643 -10.789 1.00 0.00 H new ATOM 0 HG12 VAL K 3 5.498 -1.935 -11.707 1.00 0.00 H new ATOM 0 HG13 VAL K 3 5.204 -2.662 -10.110 1.00 0.00 H new ATOM 0 HG21 VAL K 3 7.001 -5.137 -10.508 1.00 0.00 H new ATOM 0 HG22 VAL K 3 5.357 -5.165 -9.828 1.00 0.00 H new ATOM 0 HG23 VAL K 3 5.757 -6.185 -11.230 1.00 0.00 H new ATOM 690 N HIS K 4 2.798 -2.198 -12.539 1.00 0.00 N ATOM 691 CA HIS K 4 2.362 -1.079 -13.386 1.00 0.00 C ATOM 692 C HIS K 4 2.802 0.235 -12.747 1.00 0.00 C ATOM 693 O HIS K 4 2.543 0.464 -11.566 1.00 0.00 O ATOM 694 CB HIS K 4 0.817 -1.106 -13.552 1.00 0.00 C ATOM 695 CG HIS K 4 0.337 -2.431 -14.155 1.00 0.00 C ATOM 696 ND1 HIS K 4 -0.842 -3.071 -13.736 1.00 0.00 N ATOM 697 CD2 HIS K 4 0.855 -3.245 -15.144 1.00 0.00 C ATOM 698 CE1 HIS K 4 -0.973 -4.197 -14.459 1.00 0.00 C ATOM 699 NE2 HIS K 4 0.028 -4.356 -15.328 1.00 0.00 N ATOM 0 H HIS K 4 2.398 -2.200 -11.601 1.00 0.00 H new ATOM 0 HA HIS K 4 2.816 -1.170 -14.373 1.00 0.00 H new ATOM 0 HB2 HIS K 4 0.344 -0.955 -12.582 1.00 0.00 H new ATOM 0 HB3 HIS K 4 0.505 -0.280 -14.191 1.00 0.00 H new ATOM 0 HD1 HIS K 4 -1.482 -2.741 -13.014 1.00 0.00 H new ATOM 0 HD2 HIS K 4 1.764 -3.051 -15.693 1.00 0.00 H new ATOM 0 HE1 HIS K 4 -1.792 -4.892 -14.350 1.00 0.00 H new ATOM 706 N LEU K 5 3.453 1.102 -13.528 1.00 0.00 N ATOM 707 CA LEU K 5 3.919 2.402 -13.015 1.00 0.00 C ATOM 708 C LEU K 5 3.381 3.540 -13.864 1.00 0.00 C ATOM 709 O LEU K 5 3.639 3.599 -15.064 1.00 0.00 O ATOM 710 CB LEU K 5 5.450 2.441 -13.003 1.00 0.00 C ATOM 711 CG LEU K 5 5.937 3.840 -12.600 1.00 0.00 C ATOM 712 CD1 LEU K 5 5.358 4.208 -11.229 1.00 0.00 C ATOM 713 CD2 LEU K 5 7.468 3.845 -12.534 1.00 0.00 C ATOM 0 H LEU K 5 3.670 0.933 -14.510 1.00 0.00 H new ATOM 0 HA LEU K 5 3.547 2.524 -11.998 1.00 0.00 H new ATOM 0 HB2 LEU K 5 5.835 1.698 -12.305 1.00 0.00 H new ATOM 0 HB3 LEU K 5 5.836 2.183 -13.989 1.00 0.00 H new ATOM 0 HG LEU K 5 5.604 4.570 -13.338 1.00 0.00 H new ATOM 0 HD11 LEU K 5 5.704 5.201 -10.943 1.00 0.00 H new ATOM 0 HD12 LEU K 5 4.269 4.204 -11.281 1.00 0.00 H new ATOM 0 HD13 LEU K 5 5.689 3.481 -10.487 1.00 0.00 H new ATOM 0 HD21 LEU K 5 7.817 4.837 -12.248 1.00 0.00 H new ATOM 0 HD22 LEU K 5 7.803 3.116 -11.796 1.00 0.00 H new ATOM 0 HD23 LEU K 5 7.875 3.585 -13.511 1.00 0.00 H new ATOM 725 N GLN K 6 2.660 4.465 -13.231 1.00 0.00 N ATOM 726 CA GLN K 6 2.115 5.615 -13.944 1.00 0.00 C ATOM 727 C GLN K 6 2.409 6.886 -13.158 1.00 0.00 C ATOM 728 O GLN K 6 1.775 7.151 -12.138 1.00 0.00 O ATOM 729 CB GLN K 6 0.603 5.450 -14.128 1.00 0.00 C ATOM 730 CG GLN K 6 0.061 6.590 -14.988 1.00 0.00 C ATOM 731 CD GLN K 6 -1.462 6.486 -15.114 1.00 0.00 C ATOM 732 OE1 GLN K 6 -2.194 6.551 -14.126 1.00 0.00 O ATOM 733 NE2 GLN K 6 -1.985 6.316 -16.290 1.00 0.00 N ATOM 0 H GLN K 6 2.442 4.440 -12.235 1.00 0.00 H new ATOM 0 HA GLN K 6 2.582 5.683 -14.927 1.00 0.00 H new ATOM 0 HB2 GLN K 6 0.387 4.491 -14.600 1.00 0.00 H new ATOM 0 HB3 GLN K 6 0.107 5.447 -13.157 1.00 0.00 H new ATOM 0 HG2 GLN K 6 0.331 7.549 -14.545 1.00 0.00 H new ATOM 0 HG3 GLN K 6 0.517 6.556 -15.977 1.00 0.00 H new ATOM 0 HE21 GLN K 6 -1.384 6.261 -17.112 1.00 0.00 H new ATOM 0 HE22 GLN K 6 -2.997 6.237 -16.392 1.00 0.00 H new ATOM 742 N ILE K 7 3.378 7.662 -13.640 1.00 0.00 N ATOM 743 CA ILE K 7 3.764 8.916 -12.983 1.00 0.00 C ATOM 744 C ILE K 7 3.370 10.114 -13.839 1.00 0.00 C ATOM 745 O ILE K 7 3.091 11.153 -13.267 1.00 0.00 O ATOM 746 CB ILE K 7 5.278 8.929 -12.743 1.00 0.00 C ATOM 747 CG1 ILE K 7 5.684 7.654 -11.994 1.00 0.00 C ATOM 748 CG2 ILE K 7 5.658 10.152 -11.910 1.00 0.00 C ATOM 749 CD1 ILE K 7 4.934 7.553 -10.651 1.00 0.00 C ATOM 750 OXT ILE K 7 3.341 9.972 -15.052 1.00 0.00 O ATOM 0 H ILE K 7 3.912 7.447 -14.482 1.00 0.00 H new ATOM 0 HA ILE K 7 3.242 8.983 -12.028 1.00 0.00 H new ATOM 0 HB ILE K 7 5.796 8.972 -13.701 1.00 0.00 H new ATOM 0 HG12 ILE K 7 5.464 6.780 -12.607 1.00 0.00 H new ATOM 0 HG13 ILE K 7 6.760 7.656 -11.817 1.00 0.00 H new ATOM 0 HG21 ILE K 7 6.735 10.157 -11.742 1.00 0.00 H new ATOM 0 HG22 ILE K 7 5.369 11.059 -12.442 1.00 0.00 H new ATOM 0 HG23 ILE K 7 5.141 10.114 -10.951 1.00 0.00 H new ATOM 0 HD11 ILE K 7 5.235 6.642 -10.134 1.00 0.00 H new ATOM 0 HD12 ILE K 7 5.176 8.418 -10.033 1.00 0.00 H new ATOM 0 HD13 ILE K 7 3.860 7.528 -10.835 1.00 0.00 H new ATOM 763 N ILE O 1 -3.934 11.367 13.335 1.00 0.00 N ATOM 764 CA ILE O 1 -4.600 10.080 13.685 1.00 0.00 C ATOM 765 C ILE O 1 -3.681 8.918 13.316 1.00 0.00 C ATOM 766 O ILE O 1 -3.098 8.891 12.229 1.00 0.00 O ATOM 767 CB ILE O 1 -5.924 9.962 12.910 1.00 0.00 C ATOM 768 CG1 ILE O 1 -6.861 11.092 13.348 1.00 0.00 C ATOM 769 CG2 ILE O 1 -6.579 8.614 13.218 1.00 0.00 C ATOM 770 CD1 ILE O 1 -8.055 11.165 12.399 1.00 0.00 C ATOM 0 H1 ILE O 1 -4.252 12.111 13.988 1.00 0.00 H new ATOM 0 H2 ILE O 1 -2.903 11.257 13.412 1.00 0.00 H new ATOM 0 H3 ILE O 1 -4.181 11.632 12.360 1.00 0.00 H new ATOM 0 HA ILE O 1 -4.805 10.052 14.755 1.00 0.00 H new ATOM 0 HB ILE O 1 -5.730 10.034 11.840 1.00 0.00 H new ATOM 0 HG12 ILE O 1 -7.204 10.918 14.368 1.00 0.00 H new ATOM 0 HG13 ILE O 1 -6.326 12.042 13.349 1.00 0.00 H new ATOM 0 HG21 ILE O 1 -7.517 8.531 12.669 1.00 0.00 H new ATOM 0 HG22 ILE O 1 -5.910 7.807 12.918 1.00 0.00 H new ATOM 0 HG23 ILE O 1 -6.777 8.542 14.287 1.00 0.00 H new ATOM 0 HD11 ILE O 1 -8.720 11.970 12.712 1.00 0.00 H new ATOM 0 HD12 ILE O 1 -7.703 11.359 11.386 1.00 0.00 H new ATOM 0 HD13 ILE O 1 -8.595 10.218 12.420 1.00 0.00 H new ATOM 784 N HIS O 2 -3.556 7.951 14.225 1.00 0.00 N ATOM 785 CA HIS O 2 -2.735 6.792 13.977 1.00 0.00 C ATOM 786 C HIS O 2 -3.638 5.568 13.907 1.00 0.00 C ATOM 787 O HIS O 2 -4.343 5.266 14.868 1.00 0.00 O ATOM 788 CB HIS O 2 -1.770 6.679 15.175 1.00 0.00 C ATOM 789 CG HIS O 2 -1.138 5.320 15.248 1.00 0.00 C ATOM 790 ND1 HIS O 2 -0.753 4.739 16.461 1.00 0.00 N ATOM 791 CD2 HIS O 2 -0.770 4.442 14.275 1.00 0.00 C ATOM 792 CE1 HIS O 2 -0.179 3.562 16.177 1.00 0.00 C ATOM 793 NE2 HIS O 2 -0.156 3.324 14.867 1.00 0.00 N ATOM 0 H HIS O 2 -4.017 7.958 15.135 1.00 0.00 H new ATOM 0 HA HIS O 2 -2.179 6.868 13.042 1.00 0.00 H new ATOM 0 HB2 HIS O 2 -0.993 7.438 15.090 1.00 0.00 H new ATOM 0 HB3 HIS O 2 -2.312 6.879 16.099 1.00 0.00 H new ATOM 0 HD1 HIS O 2 -0.885 5.138 17.390 1.00 0.00 H new ATOM 0 HD2 HIS O 2 -0.925 4.582 13.215 1.00 0.00 H new ATOM 0 HE1 HIS O 2 0.217 2.887 16.921 1.00 0.00 H new ATOM 800 N VAL O 3 -3.589 4.835 12.794 1.00 0.00 N ATOM 801 CA VAL O 3 -4.393 3.617 12.663 1.00 0.00 C ATOM 802 C VAL O 3 -3.488 2.411 12.466 1.00 0.00 C ATOM 803 O VAL O 3 -2.719 2.370 11.507 1.00 0.00 O ATOM 804 CB VAL O 3 -5.337 3.748 11.472 1.00 0.00 C ATOM 805 CG1 VAL O 3 -6.218 2.511 11.402 1.00 0.00 C ATOM 806 CG2 VAL O 3 -6.209 4.996 11.638 1.00 0.00 C ATOM 0 H VAL O 3 -3.012 5.057 11.983 1.00 0.00 H new ATOM 0 HA VAL O 3 -4.976 3.479 13.574 1.00 0.00 H new ATOM 0 HB VAL O 3 -4.759 3.840 10.553 1.00 0.00 H new ATOM 0 HG11 VAL O 3 -6.897 2.595 10.553 1.00 0.00 H new ATOM 0 HG12 VAL O 3 -5.593 1.626 11.281 1.00 0.00 H new ATOM 0 HG13 VAL O 3 -6.796 2.424 12.322 1.00 0.00 H new ATOM 0 HG21 VAL O 3 -6.882 5.086 10.785 1.00 0.00 H new ATOM 0 HG22 VAL O 3 -6.794 4.912 12.554 1.00 0.00 H new ATOM 0 HG23 VAL O 3 -5.573 5.880 11.693 1.00 0.00 H new ATOM 816 N HIS O 4 -3.588 1.415 13.359 1.00 0.00 N ATOM 817 CA HIS O 4 -2.794 0.210 13.243 1.00 0.00 C ATOM 818 C HIS O 4 -3.672 -1.033 13.088 1.00 0.00 C ATOM 819 O HIS O 4 -4.616 -1.222 13.851 1.00 0.00 O ATOM 820 CB HIS O 4 -1.872 0.106 14.475 1.00 0.00 C ATOM 821 CG HIS O 4 -0.676 -0.742 14.136 1.00 0.00 C ATOM 822 ND1 HIS O 4 0.646 -0.270 14.146 1.00 0.00 N ATOM 823 CD2 HIS O 4 -0.604 -2.044 13.773 1.00 0.00 C ATOM 824 CE1 HIS O 4 1.438 -1.295 13.796 1.00 0.00 C ATOM 825 NE2 HIS O 4 0.729 -2.404 13.559 1.00 0.00 N ATOM 0 H HIS O 4 -4.214 1.432 14.164 1.00 0.00 H new ATOM 0 HA HIS O 4 -2.185 0.265 12.341 1.00 0.00 H new ATOM 0 HB2 HIS O 4 -1.550 1.100 14.787 1.00 0.00 H new ATOM 0 HB3 HIS O 4 -2.415 -0.331 15.313 1.00 0.00 H new ATOM 0 HD2 HIS O 4 -1.451 -2.706 13.665 1.00 0.00 H new ATOM 0 HE1 HIS O 4 2.513 -1.232 13.716 1.00 0.00 H new ATOM 0 HE2 HIS O 4 1.086 -3.318 13.281 1.00 0.00 H new ATOM 833 N LEU O 5 -3.350 -1.879 12.106 1.00 0.00 N ATOM 834 CA LEU O 5 -4.117 -3.113 11.872 1.00 0.00 C ATOM 835 C LEU O 5 -3.202 -4.324 11.976 1.00 0.00 C ATOM 836 O LEU O 5 -2.342 -4.527 11.122 1.00 0.00 O ATOM 837 CB LEU O 5 -4.726 -3.064 10.479 1.00 0.00 C ATOM 838 CG LEU O 5 -5.583 -1.800 10.334 1.00 0.00 C ATOM 839 CD1 LEU O 5 -6.154 -1.723 8.903 1.00 0.00 C ATOM 840 CD2 LEU O 5 -6.728 -1.823 11.372 1.00 0.00 C ATOM 0 H LEU O 5 -2.571 -1.737 11.463 1.00 0.00 H new ATOM 0 HA LEU O 5 -4.904 -3.194 12.622 1.00 0.00 H new ATOM 0 HB2 LEU O 5 -3.937 -3.069 9.726 1.00 0.00 H new ATOM 0 HB3 LEU O 5 -5.336 -3.951 10.307 1.00 0.00 H new ATOM 0 HG LEU O 5 -4.967 -0.919 10.514 1.00 0.00 H new ATOM 0 HD11 LEU O 5 -6.763 -0.824 8.802 1.00 0.00 H new ATOM 0 HD12 LEU O 5 -5.334 -1.689 8.185 1.00 0.00 H new ATOM 0 HD13 LEU O 5 -6.769 -2.602 8.709 1.00 0.00 H new ATOM 0 HD21 LEU O 5 -7.334 -0.923 11.265 1.00 0.00 H new ATOM 0 HD22 LEU O 5 -7.351 -2.702 11.207 1.00 0.00 H new ATOM 0 HD23 LEU O 5 -6.307 -1.860 12.377 1.00 0.00 H new ATOM 852 N GLN O 6 -3.408 -5.136 13.012 1.00 0.00 N ATOM 853 CA GLN O 6 -2.598 -6.342 13.211 1.00 0.00 C ATOM 854 C GLN O 6 -3.511 -7.558 13.266 1.00 0.00 C ATOM 855 O GLN O 6 -4.200 -7.774 14.261 1.00 0.00 O ATOM 856 CB GLN O 6 -1.808 -6.231 14.515 1.00 0.00 C ATOM 857 CG GLN O 6 -0.898 -7.450 14.657 1.00 0.00 C ATOM 858 CD GLN O 6 -0.166 -7.403 15.990 1.00 0.00 C ATOM 859 OE1 GLN O 6 -0.795 -7.380 17.045 1.00 0.00 O ATOM 860 NE2 GLN O 6 1.138 -7.388 16.001 1.00 0.00 N ATOM 0 H GLN O 6 -4.123 -4.984 13.723 1.00 0.00 H new ATOM 0 HA GLN O 6 -1.898 -6.448 12.382 1.00 0.00 H new ATOM 0 HB2 GLN O 6 -1.214 -5.317 14.518 1.00 0.00 H new ATOM 0 HB3 GLN O 6 -2.490 -6.171 15.363 1.00 0.00 H new ATOM 0 HG2 GLN O 6 -1.488 -8.364 14.589 1.00 0.00 H new ATOM 0 HG3 GLN O 6 -0.178 -7.474 13.839 1.00 0.00 H new ATOM 0 HE21 GLN O 6 1.656 -7.407 15.122 1.00 0.00 H new ATOM 0 HE22 GLN O 6 1.640 -7.357 16.888 1.00 0.00 H new ATOM 869 N ILE O 7 -3.512 -8.340 12.190 1.00 0.00 N ATOM 870 CA ILE O 7 -4.353 -9.540 12.114 1.00 0.00 C ATOM 871 C ILE O 7 -3.491 -10.789 11.981 1.00 0.00 C ATOM 872 O ILE O 7 -2.409 -10.684 11.425 1.00 0.00 O ATOM 873 CB ILE O 7 -5.299 -9.434 10.903 1.00 0.00 C ATOM 874 CG1 ILE O 7 -5.818 -7.988 10.753 1.00 0.00 C ATOM 875 CG2 ILE O 7 -6.487 -10.382 11.074 1.00 0.00 C ATOM 876 CD1 ILE O 7 -6.674 -7.601 11.968 1.00 0.00 C ATOM 877 OXT ILE O 7 -3.921 -11.826 12.451 1.00 0.00 O ATOM 0 H ILE O 7 -2.944 -8.169 11.360 1.00 0.00 H new ATOM 0 HA ILE O 7 -4.938 -9.614 13.030 1.00 0.00 H new ATOM 0 HB ILE O 7 -4.742 -9.711 10.008 1.00 0.00 H new ATOM 0 HG12 ILE O 7 -4.977 -7.301 10.658 1.00 0.00 H new ATOM 0 HG13 ILE O 7 -6.408 -7.899 9.841 1.00 0.00 H new ATOM 0 HG21 ILE O 7 -7.148 -10.297 10.211 1.00 0.00 H new ATOM 0 HG22 ILE O 7 -6.126 -11.407 11.155 1.00 0.00 H new ATOM 0 HG23 ILE O 7 -7.036 -10.118 11.978 1.00 0.00 H new ATOM 0 HD11 ILE O 7 -7.033 -6.579 11.849 1.00 0.00 H new ATOM 0 HD12 ILE O 7 -7.525 -8.278 12.044 1.00 0.00 H new ATOM 0 HD13 ILE O 7 -6.072 -7.671 12.874 1.00 0.00 H new ATOM 890 N ILE Q 1 -1.826 11.376 8.730 1.00 0.00 N ATOM 891 CA ILE Q 1 -2.186 10.123 9.446 1.00 0.00 C ATOM 892 C ILE Q 1 -1.166 9.037 9.127 1.00 0.00 C ATOM 893 O ILE Q 1 -0.643 8.958 8.009 1.00 0.00 O ATOM 894 CB ILE Q 1 -3.597 9.663 9.000 1.00 0.00 C ATOM 895 CG1 ILE Q 1 -3.779 8.155 9.256 1.00 0.00 C ATOM 896 CG2 ILE Q 1 -3.785 9.939 7.511 1.00 0.00 C ATOM 897 CD1 ILE Q 1 -5.259 7.792 9.212 1.00 0.00 C ATOM 0 H1 ILE Q 1 -2.666 11.984 8.650 1.00 0.00 H new ATOM 0 H2 ILE Q 1 -1.085 11.878 9.260 1.00 0.00 H new ATOM 0 H3 ILE Q 1 -1.475 11.144 7.779 1.00 0.00 H new ATOM 0 HA ILE Q 1 -2.187 10.307 10.520 1.00 0.00 H new ATOM 0 HB ILE Q 1 -4.337 10.217 9.577 1.00 0.00 H new ATOM 0 HG12 ILE Q 1 -3.233 7.582 8.506 1.00 0.00 H new ATOM 0 HG13 ILE Q 1 -3.360 7.890 10.227 1.00 0.00 H new ATOM 0 HG21 ILE Q 1 -4.779 9.614 7.203 1.00 0.00 H new ATOM 0 HG22 ILE Q 1 -3.679 11.007 7.323 1.00 0.00 H new ATOM 0 HG23 ILE Q 1 -3.032 9.394 6.942 1.00 0.00 H new ATOM 0 HD11 ILE Q 1 -5.377 6.724 9.394 1.00 0.00 H new ATOM 0 HD12 ILE Q 1 -5.794 8.352 9.979 1.00 0.00 H new ATOM 0 HD13 ILE Q 1 -5.665 8.040 8.232 1.00 0.00 H new ATOM 911 N HIS Q 2 -0.919 8.170 10.107 1.00 0.00 N ATOM 912 CA HIS Q 2 -0.007 7.051 9.885 1.00 0.00 C ATOM 913 C HIS Q 2 -0.836 5.777 9.869 1.00 0.00 C ATOM 914 O HIS Q 2 -1.535 5.478 10.835 1.00 0.00 O ATOM 915 CB HIS Q 2 1.035 6.983 11.023 1.00 0.00 C ATOM 916 CG HIS Q 2 2.248 7.813 10.684 1.00 0.00 C ATOM 917 ND1 HIS Q 2 3.505 7.250 10.500 1.00 0.00 N ATOM 918 CD2 HIS Q 2 2.414 9.162 10.499 1.00 0.00 C ATOM 919 CE1 HIS Q 2 4.358 8.248 10.220 1.00 0.00 C ATOM 920 NE2 HIS Q 2 3.747 9.435 10.207 1.00 0.00 N ATOM 0 H HIS Q 2 -1.327 8.218 11.041 1.00 0.00 H new ATOM 0 HA HIS Q 2 0.525 7.176 8.942 1.00 0.00 H new ATOM 0 HB2 HIS Q 2 0.591 7.341 11.952 1.00 0.00 H new ATOM 0 HB3 HIS Q 2 1.332 5.948 11.190 1.00 0.00 H new ATOM 0 HD2 HIS Q 2 1.629 9.900 10.569 1.00 0.00 H new ATOM 0 HE1 HIS Q 2 5.412 8.108 10.028 1.00 0.00 H new ATOM 0 HE2 HIS Q 2 4.167 10.346 10.023 1.00 0.00 H new ATOM 928 N VAL Q 3 -0.735 5.010 8.782 1.00 0.00 N ATOM 929 CA VAL Q 3 -1.468 3.749 8.680 1.00 0.00 C ATOM 930 C VAL Q 3 -0.494 2.595 8.617 1.00 0.00 C ATOM 931 O VAL Q 3 0.383 2.562 7.749 1.00 0.00 O ATOM 932 CB VAL Q 3 -2.337 3.764 7.426 1.00 0.00 C ATOM 933 CG1 VAL Q 3 -3.107 2.442 7.333 1.00 0.00 C ATOM 934 CG2 VAL Q 3 -3.326 4.954 7.498 1.00 0.00 C ATOM 0 H VAL Q 3 -0.160 5.236 7.970 1.00 0.00 H new ATOM 0 HA VAL Q 3 -2.104 3.629 9.557 1.00 0.00 H new ATOM 0 HB VAL Q 3 -1.711 3.878 6.541 1.00 0.00 H new ATOM 0 HG11 VAL Q 3 -3.730 2.446 6.439 1.00 0.00 H new ATOM 0 HG12 VAL Q 3 -2.401 1.613 7.280 1.00 0.00 H new ATOM 0 HG13 VAL Q 3 -3.738 2.326 8.214 1.00 0.00 H new ATOM 0 HG21 VAL Q 3 -3.947 4.965 6.602 1.00 0.00 H new ATOM 0 HG22 VAL Q 3 -3.960 4.847 8.378 1.00 0.00 H new ATOM 0 HG23 VAL Q 3 -2.768 5.888 7.564 1.00 0.00 H new ATOM 944 N HIS Q 4 -0.651 1.638 9.531 1.00 0.00 N ATOM 945 CA HIS Q 4 0.224 0.461 9.559 1.00 0.00 C ATOM 946 C HIS Q 4 -0.614 -0.795 9.341 1.00 0.00 C ATOM 947 O HIS Q 4 -1.616 -0.993 10.030 1.00 0.00 O ATOM 948 CB HIS Q 4 0.964 0.384 10.925 1.00 0.00 C ATOM 949 CG HIS Q 4 1.767 1.663 11.212 1.00 0.00 C ATOM 950 ND1 HIS Q 4 1.869 2.212 12.497 1.00 0.00 N ATOM 951 CD2 HIS Q 4 2.499 2.509 10.397 1.00 0.00 C ATOM 952 CE1 HIS Q 4 2.622 3.323 12.407 1.00 0.00 C ATOM 953 NE2 HIS Q 4 3.030 3.552 11.156 1.00 0.00 N ATOM 0 H HIS Q 4 -1.368 1.651 10.256 1.00 0.00 H new ATOM 0 HA HIS Q 4 0.967 0.539 8.765 1.00 0.00 H new ATOM 0 HB2 HIS Q 4 0.239 0.223 11.723 1.00 0.00 H new ATOM 0 HB3 HIS Q 4 1.635 -0.475 10.927 1.00 0.00 H new ATOM 0 HD1 HIS Q 4 1.448 1.837 13.347 1.00 0.00 H new ATOM 0 HD2 HIS Q 4 2.638 2.381 9.334 1.00 0.00 H new ATOM 0 HE1 HIS Q 4 2.868 3.955 13.247 1.00 0.00 H new ATOM 960 N LEU Q 5 -0.203 -1.646 8.400 1.00 0.00 N ATOM 961 CA LEU Q 5 -0.935 -2.892 8.124 1.00 0.00 C ATOM 962 C LEU Q 5 -0.020 -4.097 8.265 1.00 0.00 C ATOM 963 O LEU Q 5 0.990 -4.197 7.572 1.00 0.00 O ATOM 964 CB LEU Q 5 -1.517 -2.851 6.709 1.00 0.00 C ATOM 965 CG LEU Q 5 -2.151 -4.208 6.352 1.00 0.00 C ATOM 966 CD1 LEU Q 5 -3.260 -4.528 7.353 1.00 0.00 C ATOM 967 CD2 LEU Q 5 -2.729 -4.164 4.921 1.00 0.00 C ATOM 0 H LEU Q 5 0.623 -1.502 7.819 1.00 0.00 H new ATOM 0 HA LEU Q 5 -1.744 -2.983 8.849 1.00 0.00 H new ATOM 0 HB2 LEU Q 5 -2.266 -2.062 6.639 1.00 0.00 H new ATOM 0 HB3 LEU Q 5 -0.732 -2.609 5.993 1.00 0.00 H new ATOM 0 HG LEU Q 5 -1.388 -4.985 6.396 1.00 0.00 H new ATOM 0 HD11 LEU Q 5 -3.710 -5.488 7.102 1.00 0.00 H new ATOM 0 HD12 LEU Q 5 -2.841 -4.575 8.358 1.00 0.00 H new ATOM 0 HD13 LEU Q 5 -4.021 -3.749 7.314 1.00 0.00 H new ATOM 0 HD21 LEU Q 5 -3.175 -5.129 4.679 1.00 0.00 H new ATOM 0 HD22 LEU Q 5 -3.491 -3.387 4.860 1.00 0.00 H new ATOM 0 HD23 LEU Q 5 -1.930 -3.945 4.212 1.00 0.00 H new ATOM 979 N GLN Q 6 -0.404 -5.031 9.134 1.00 0.00 N ATOM 980 CA GLN Q 6 0.379 -6.249 9.330 1.00 0.00 C ATOM 981 C GLN Q 6 -0.550 -7.456 9.287 1.00 0.00 C ATOM 982 O GLN Q 6 -1.295 -7.710 10.235 1.00 0.00 O ATOM 983 CB GLN Q 6 1.107 -6.195 10.675 1.00 0.00 C ATOM 984 CG GLN Q 6 2.035 -7.402 10.795 1.00 0.00 C ATOM 985 CD GLN Q 6 2.703 -7.414 12.163 1.00 0.00 C ATOM 986 OE1 GLN Q 6 2.032 -7.510 13.186 1.00 0.00 O ATOM 987 NE2 GLN Q 6 3.999 -7.309 12.241 1.00 0.00 N ATOM 0 H GLN Q 6 -1.245 -4.969 9.708 1.00 0.00 H new ATOM 0 HA GLN Q 6 1.121 -6.334 8.536 1.00 0.00 H new ATOM 0 HB2 GLN Q 6 1.680 -5.271 10.754 1.00 0.00 H new ATOM 0 HB3 GLN Q 6 0.386 -6.194 11.492 1.00 0.00 H new ATOM 0 HG2 GLN Q 6 1.469 -8.322 10.650 1.00 0.00 H new ATOM 0 HG3 GLN Q 6 2.793 -7.367 10.012 1.00 0.00 H new ATOM 0 HE21 GLN Q 6 4.556 -7.229 11.390 1.00 0.00 H new ATOM 0 HE22 GLN Q 6 4.457 -7.307 13.153 1.00 0.00 H new ATOM 996 N ILE Q 7 -0.499 -8.196 8.181 1.00 0.00 N ATOM 997 CA ILE Q 7 -1.340 -9.386 8.008 1.00 0.00 C ATOM 998 C ILE Q 7 -0.484 -10.651 8.017 1.00 0.00 C ATOM 999 O ILE Q 7 -0.997 -11.679 8.420 1.00 0.00 O ATOM 1000 CB ILE Q 7 -2.101 -9.293 6.686 1.00 0.00 C ATOM 1001 CG1 ILE Q 7 -2.878 -7.972 6.629 1.00 0.00 C ATOM 1002 CG2 ILE Q 7 -3.069 -10.467 6.555 1.00 0.00 C ATOM 1003 CD1 ILE Q 7 -3.864 -7.881 7.805 1.00 0.00 C ATOM 1004 OXT ILE Q 7 0.672 -10.567 7.635 1.00 0.00 O ATOM 0 H ILE Q 7 0.114 -7.996 7.391 1.00 0.00 H new ATOM 0 HA ILE Q 7 -2.049 -9.435 8.835 1.00 0.00 H new ATOM 0 HB ILE Q 7 -1.388 -9.328 5.862 1.00 0.00 H new ATOM 0 HG12 ILE Q 7 -2.184 -7.132 6.662 1.00 0.00 H new ATOM 0 HG13 ILE Q 7 -3.419 -7.901 5.686 1.00 0.00 H new ATOM 0 HG21 ILE Q 7 -3.606 -10.392 5.610 1.00 0.00 H new ATOM 0 HG22 ILE Q 7 -2.511 -11.403 6.582 1.00 0.00 H new ATOM 0 HG23 ILE Q 7 -3.781 -10.445 7.380 1.00 0.00 H new ATOM 0 HD11 ILE Q 7 -4.408 -6.938 7.751 1.00 0.00 H new ATOM 0 HD12 ILE Q 7 -4.569 -8.711 7.754 1.00 0.00 H new ATOM 0 HD13 ILE Q 7 -3.315 -7.930 8.745 1.00 0.00 H new ATOM 1017 N ILE S 1 1.397 11.632 5.105 1.00 0.00 N ATOM 1018 CA ILE S 1 0.732 10.334 5.400 1.00 0.00 C ATOM 1019 C ILE S 1 1.728 9.198 5.177 1.00 0.00 C ATOM 1020 O ILE S 1 2.430 9.165 4.162 1.00 0.00 O ATOM 1021 CB ILE S 1 -0.476 10.158 4.470 1.00 0.00 C ATOM 1022 CG1 ILE S 1 -1.502 11.257 4.765 1.00 0.00 C ATOM 1023 CG2 ILE S 1 -1.111 8.786 4.706 1.00 0.00 C ATOM 1024 CD1 ILE S 1 -2.580 11.257 3.685 1.00 0.00 C ATOM 0 H1 ILE S 1 1.223 12.296 5.886 1.00 0.00 H new ATOM 0 H2 ILE S 1 2.421 11.482 4.999 1.00 0.00 H new ATOM 0 H3 ILE S 1 1.012 12.027 4.223 1.00 0.00 H new ATOM 0 HA ILE S 1 0.392 10.319 6.436 1.00 0.00 H new ATOM 0 HB ILE S 1 -0.152 10.228 3.432 1.00 0.00 H new ATOM 0 HG12 ILE S 1 -1.954 11.093 5.743 1.00 0.00 H new ATOM 0 HG13 ILE S 1 -1.009 12.228 4.800 1.00 0.00 H new ATOM 0 HG21 ILE S 1 -1.969 8.663 4.044 1.00 0.00 H new ATOM 0 HG22 ILE S 1 -0.379 8.006 4.499 1.00 0.00 H new ATOM 0 HG23 ILE S 1 -1.439 8.710 5.743 1.00 0.00 H new ATOM 0 HD11 ILE S 1 -3.308 12.040 3.898 1.00 0.00 H new ATOM 0 HD12 ILE S 1 -2.122 11.442 2.713 1.00 0.00 H new ATOM 0 HD13 ILE S 1 -3.081 10.289 3.671 1.00 0.00 H new ATOM 1038 N HIS S 2 1.784 8.256 6.126 1.00 0.00 N ATOM 1039 CA HIS S 2 2.677 7.124 5.993 1.00 0.00 C ATOM 1040 C HIS S 2 1.843 5.858 5.847 1.00 0.00 C ATOM 1041 O HIS S 2 1.055 5.541 6.734 1.00 0.00 O ATOM 1042 CB HIS S 2 3.514 7.055 7.289 1.00 0.00 C ATOM 1043 CG HIS S 2 4.210 5.728 7.417 1.00 0.00 C ATOM 1044 ND1 HIS S 2 4.510 5.133 8.654 1.00 0.00 N ATOM 1045 CD2 HIS S 2 4.717 4.889 6.471 1.00 0.00 C ATOM 1046 CE1 HIS S 2 5.171 4.000 8.406 1.00 0.00 C ATOM 1047 NE2 HIS S 2 5.332 3.793 7.102 1.00 0.00 N ATOM 0 H HIS S 2 1.225 8.263 6.979 1.00 0.00 H new ATOM 0 HA HIS S 2 3.326 7.222 5.123 1.00 0.00 H new ATOM 0 HB2 HIS S 2 4.252 7.857 7.292 1.00 0.00 H new ATOM 0 HB3 HIS S 2 2.867 7.214 8.152 1.00 0.00 H new ATOM 0 HD1 HIS S 2 4.267 5.500 9.574 1.00 0.00 H new ATOM 0 HD2 HIS S 2 4.656 5.042 5.404 1.00 0.00 H new ATOM 0 HE1 HIS S 2 5.532 3.331 9.173 1.00 0.00 H new ATOM 1054 N VAL S 3 2.038 5.113 4.755 1.00 0.00 N ATOM 1055 CA VAL S 3 1.303 3.858 4.571 1.00 0.00 C ATOM 1056 C VAL S 3 2.274 2.695 4.504 1.00 0.00 C ATOM 1057 O VAL S 3 3.129 2.661 3.619 1.00 0.00 O ATOM 1058 CB VAL S 3 0.491 3.926 3.277 1.00 0.00 C ATOM 1059 CG1 VAL S 3 -0.316 2.641 3.123 1.00 0.00 C ATOM 1060 CG2 VAL S 3 -0.458 5.128 3.328 1.00 0.00 C ATOM 0 H VAL S 3 2.683 5.349 4.001 1.00 0.00 H new ATOM 0 HA VAL S 3 0.629 3.710 5.415 1.00 0.00 H new ATOM 0 HB VAL S 3 1.165 4.038 2.427 1.00 0.00 H new ATOM 0 HG11 VAL S 3 -0.897 2.684 2.202 1.00 0.00 H new ATOM 0 HG12 VAL S 3 0.362 1.788 3.085 1.00 0.00 H new ATOM 0 HG13 VAL S 3 -0.990 2.531 3.972 1.00 0.00 H new ATOM 0 HG21 VAL S 3 -1.036 5.175 2.405 1.00 0.00 H new ATOM 0 HG22 VAL S 3 -1.135 5.021 4.175 1.00 0.00 H new ATOM 0 HG23 VAL S 3 0.121 6.044 3.440 1.00 0.00 H new ATOM 1070 N HIS S 4 2.129 1.719 5.412 1.00 0.00 N ATOM 1071 CA HIS S 4 2.983 0.554 5.399 1.00 0.00 C ATOM 1072 C HIS S 4 2.180 -0.731 5.204 1.00 0.00 C ATOM 1073 O HIS S 4 1.197 -0.959 5.911 1.00 0.00 O ATOM 1074 CB HIS S 4 3.791 0.521 6.708 1.00 0.00 C ATOM 1075 CG HIS S 4 5.045 -0.286 6.508 1.00 0.00 C ATOM 1076 ND1 HIS S 4 6.343 0.248 6.579 1.00 0.00 N ATOM 1077 CD2 HIS S 4 5.196 -1.601 6.235 1.00 0.00 C ATOM 1078 CE1 HIS S 4 7.199 -0.759 6.350 1.00 0.00 C ATOM 1079 NE2 HIS S 4 6.555 -1.910 6.138 1.00 0.00 N ATOM 0 H HIS S 4 1.429 1.725 6.154 1.00 0.00 H new ATOM 0 HA HIS S 4 3.667 0.619 4.553 1.00 0.00 H new ATOM 0 HB2 HIS S 4 4.045 1.535 7.016 1.00 0.00 H new ATOM 0 HB3 HIS S 4 3.190 0.086 7.507 1.00 0.00 H new ATOM 0 HD2 HIS S 4 4.388 -2.307 6.111 1.00 0.00 H new ATOM 0 HE1 HIS S 4 8.274 -0.653 6.338 1.00 0.00 H new ATOM 0 HE2 HIS S 4 6.968 -2.822 5.946 1.00 0.00 H new ATOM 1087 N LEU S 5 2.613 -1.571 4.263 1.00 0.00 N ATOM 1088 CA LEU S 5 1.930 -2.843 3.999 1.00 0.00 C ATOM 1089 C LEU S 5 2.889 -4.006 4.198 1.00 0.00 C ATOM 1090 O LEU S 5 3.833 -4.170 3.431 1.00 0.00 O ATOM 1091 CB LEU S 5 1.424 -2.858 2.561 1.00 0.00 C ATOM 1092 CG LEU S 5 0.549 -1.626 2.303 1.00 0.00 C ATOM 1093 CD1 LEU S 5 0.071 -1.622 0.829 1.00 0.00 C ATOM 1094 CD2 LEU S 5 -0.658 -1.634 3.265 1.00 0.00 C ATOM 0 H LEU S 5 3.427 -1.398 3.674 1.00 0.00 H new ATOM 0 HA LEU S 5 1.094 -2.944 4.691 1.00 0.00 H new ATOM 0 HB2 LEU S 5 2.267 -2.867 1.870 1.00 0.00 H new ATOM 0 HB3 LEU S 5 0.851 -3.767 2.377 1.00 0.00 H new ATOM 0 HG LEU S 5 1.132 -0.722 2.482 1.00 0.00 H new ATOM 0 HD11 LEU S 5 -0.551 -0.745 0.650 1.00 0.00 H new ATOM 0 HD12 LEU S 5 0.936 -1.595 0.166 1.00 0.00 H new ATOM 0 HD13 LEU S 5 -0.509 -2.524 0.632 1.00 0.00 H new ATOM 0 HD21 LEU S 5 -1.278 -0.757 3.079 1.00 0.00 H new ATOM 0 HD22 LEU S 5 -1.248 -2.536 3.102 1.00 0.00 H new ATOM 0 HD23 LEU S 5 -0.302 -1.615 4.295 1.00 0.00 H new ATOM 1106 N GLN S 6 2.627 -4.824 5.219 1.00 0.00 N ATOM 1107 CA GLN S 6 3.472 -5.986 5.501 1.00 0.00 C ATOM 1108 C GLN S 6 2.616 -7.243 5.496 1.00 0.00 C ATOM 1109 O GLN S 6 1.822 -7.463 6.411 1.00 0.00 O ATOM 1110 CB GLN S 6 4.150 -5.822 6.864 1.00 0.00 C ATOM 1111 CG GLN S 6 5.097 -6.996 7.099 1.00 0.00 C ATOM 1112 CD GLN S 6 5.726 -6.894 8.478 1.00 0.00 C ATOM 1113 OE1 GLN S 6 5.027 -6.891 9.489 1.00 0.00 O ATOM 1114 NE2 GLN S 6 7.026 -6.805 8.572 1.00 0.00 N ATOM 0 H GLN S 6 1.843 -4.705 5.860 1.00 0.00 H new ATOM 0 HA GLN S 6 4.242 -6.068 4.734 1.00 0.00 H new ATOM 0 HB2 GLN S 6 4.701 -4.882 6.898 1.00 0.00 H new ATOM 0 HB3 GLN S 6 3.400 -5.781 7.654 1.00 0.00 H new ATOM 0 HG2 GLN S 6 4.552 -7.936 7.008 1.00 0.00 H new ATOM 0 HG3 GLN S 6 5.875 -7.003 6.336 1.00 0.00 H new ATOM 0 HE21 GLN S 6 7.600 -6.808 7.729 1.00 0.00 H new ATOM 0 HE22 GLN S 6 7.467 -6.732 9.489 1.00 0.00 H new ATOM 1123 N ILE S 7 2.779 -8.056 4.455 1.00 0.00 N ATOM 1124 CA ILE S 7 2.008 -9.295 4.317 1.00 0.00 C ATOM 1125 C ILE S 7 2.935 -10.503 4.272 1.00 0.00 C ATOM 1126 O ILE S 7 4.061 -10.349 3.828 1.00 0.00 O ATOM 1127 CB ILE S 7 1.172 -9.233 3.025 1.00 0.00 C ATOM 1128 CG1 ILE S 7 0.588 -7.820 2.833 1.00 0.00 C ATOM 1129 CG2 ILE S 7 0.030 -10.252 3.077 1.00 0.00 C ATOM 1130 CD1 ILE S 7 -0.420 -7.502 3.939 1.00 0.00 C ATOM 1131 OXT ILE S 7 2.504 -11.558 4.698 1.00 0.00 O ATOM 0 H ILE S 7 3.436 -7.882 3.694 1.00 0.00 H new ATOM 0 HA ILE S 7 1.349 -9.398 5.179 1.00 0.00 H new ATOM 0 HB ILE S 7 1.825 -9.470 2.185 1.00 0.00 H new ATOM 0 HG12 ILE S 7 1.392 -7.084 2.843 1.00 0.00 H new ATOM 0 HG13 ILE S 7 0.103 -7.750 1.859 1.00 0.00 H new ATOM 0 HG21 ILE S 7 -0.551 -10.195 2.156 1.00 0.00 H new ATOM 0 HG22 ILE S 7 0.442 -11.255 3.184 1.00 0.00 H new ATOM 0 HG23 ILE S 7 -0.615 -10.032 3.927 1.00 0.00 H new ATOM 0 HD11 ILE S 7 -0.822 -6.500 3.788 1.00 0.00 H new ATOM 0 HD12 ILE S 7 -1.233 -8.228 3.910 1.00 0.00 H new ATOM 0 HD13 ILE S 7 0.076 -7.551 4.908 1.00 0.00 H new ATOM 1144 N ILE U 1 3.661 11.707 0.535 1.00 0.00 N ATOM 1145 CA ILE U 1 3.327 10.450 1.255 1.00 0.00 C ATOM 1146 C ILE U 1 4.408 9.405 1.008 1.00 0.00 C ATOM 1147 O ILE U 1 4.982 9.318 -0.086 1.00 0.00 O ATOM 1148 CB ILE U 1 1.964 9.917 0.752 1.00 0.00 C ATOM 1149 CG1 ILE U 1 1.819 8.421 1.080 1.00 0.00 C ATOM 1150 CG2 ILE U 1 1.860 10.113 -0.756 1.00 0.00 C ATOM 1151 CD1 ILE U 1 0.366 7.996 0.937 1.00 0.00 C ATOM 0 H1 ILE U 1 2.811 12.303 0.464 1.00 0.00 H new ATOM 0 H2 ILE U 1 4.401 12.220 1.056 1.00 0.00 H new ATOM 0 H3 ILE U 1 4.005 11.479 -0.420 1.00 0.00 H new ATOM 0 HA ILE U 1 3.268 10.653 2.324 1.00 0.00 H new ATOM 0 HB ILE U 1 1.169 10.470 1.252 1.00 0.00 H new ATOM 0 HG12 ILE U 1 2.446 7.831 0.412 1.00 0.00 H new ATOM 0 HG13 ILE U 1 2.165 8.228 2.095 1.00 0.00 H new ATOM 0 HG21 ILE U 1 0.899 9.736 -1.106 1.00 0.00 H new ATOM 0 HG22 ILE U 1 1.942 11.174 -0.991 1.00 0.00 H new ATOM 0 HG23 ILE U 1 2.665 9.569 -1.250 1.00 0.00 H new ATOM 0 HD11 ILE U 1 0.272 6.936 1.171 1.00 0.00 H new ATOM 0 HD12 ILE U 1 -0.252 8.575 1.624 1.00 0.00 H new ATOM 0 HD13 ILE U 1 0.034 8.172 -0.086 1.00 0.00 H new ATOM 1165 N HIS U 2 4.647 8.572 2.020 1.00 0.00 N ATOM 1166 CA HIS U 2 5.612 7.486 1.868 1.00 0.00 C ATOM 1167 C HIS U 2 4.835 6.177 1.842 1.00 0.00 C ATOM 1168 O HIS U 2 4.105 5.869 2.785 1.00 0.00 O ATOM 1169 CB HIS U 2 6.602 7.481 3.056 1.00 0.00 C ATOM 1170 CG HIS U 2 7.802 8.340 2.751 1.00 0.00 C ATOM 1171 ND1 HIS U 2 9.084 7.814 2.644 1.00 0.00 N ATOM 1172 CD2 HIS U 2 7.933 9.691 2.542 1.00 0.00 C ATOM 1173 CE1 HIS U 2 9.920 8.833 2.383 1.00 0.00 C ATOM 1174 NE2 HIS U 2 9.271 9.999 2.310 1.00 0.00 N ATOM 0 H HIS U 2 4.197 8.625 2.934 1.00 0.00 H new ATOM 0 HA HIS U 2 6.183 7.615 0.948 1.00 0.00 H new ATOM 0 HB2 HIS U 2 6.104 7.849 3.953 1.00 0.00 H new ATOM 0 HB3 HIS U 2 6.922 6.460 3.265 1.00 0.00 H new ATOM 0 HD2 HIS U 2 7.123 10.405 2.556 1.00 0.00 H new ATOM 0 HE1 HIS U 2 10.986 8.723 2.249 1.00 0.00 H new ATOM 0 HE2 HIS U 2 9.671 10.919 2.124 1.00 0.00 H new ATOM 1182 N VAL U 3 5.019 5.392 0.783 1.00 0.00 N ATOM 1183 CA VAL U 3 4.344 4.102 0.675 1.00 0.00 C ATOM 1184 C VAL U 3 5.366 2.985 0.687 1.00 0.00 C ATOM 1185 O VAL U 3 6.287 2.971 -0.134 1.00 0.00 O ATOM 1186 CB VAL U 3 3.536 4.051 -0.615 1.00 0.00 C ATOM 1187 CG1 VAL U 3 2.816 2.702 -0.707 1.00 0.00 C ATOM 1188 CG2 VAL U 3 2.509 5.200 -0.619 1.00 0.00 C ATOM 0 H VAL U 3 5.624 5.624 -0.005 1.00 0.00 H new ATOM 0 HA VAL U 3 3.671 3.977 1.523 1.00 0.00 H new ATOM 0 HB VAL U 3 4.199 4.162 -1.473 1.00 0.00 H new ATOM 0 HG11 VAL U 3 2.236 2.661 -1.629 1.00 0.00 H new ATOM 0 HG12 VAL U 3 3.550 1.897 -0.704 1.00 0.00 H new ATOM 0 HG13 VAL U 3 2.148 2.587 0.147 1.00 0.00 H new ATOM 0 HG21 VAL U 3 1.929 5.166 -1.541 1.00 0.00 H new ATOM 0 HG22 VAL U 3 1.840 5.093 0.235 1.00 0.00 H new ATOM 0 HG23 VAL U 3 3.031 6.155 -0.553 1.00 0.00 H new ATOM 1198 N HIS U 4 5.198 2.046 1.613 1.00 0.00 N ATOM 1199 CA HIS U 4 6.115 0.906 1.716 1.00 0.00 C ATOM 1200 C HIS U 4 5.343 -0.387 1.480 1.00 0.00 C ATOM 1201 O HIS U 4 4.308 -0.608 2.112 1.00 0.00 O ATOM 1202 CB HIS U 4 6.772 0.889 3.126 1.00 0.00 C ATOM 1203 CG HIS U 4 7.517 2.199 3.421 1.00 0.00 C ATOM 1204 ND1 HIS U 4 7.528 2.789 4.694 1.00 0.00 N ATOM 1205 CD2 HIS U 4 8.266 3.047 2.627 1.00 0.00 C ATOM 1206 CE1 HIS U 4 8.248 3.921 4.612 1.00 0.00 C ATOM 1207 NE2 HIS U 4 8.719 4.129 3.379 1.00 0.00 N ATOM 0 H HIS U 4 4.443 2.047 2.299 1.00 0.00 H new ATOM 0 HA HIS U 4 6.898 0.996 0.964 1.00 0.00 H new ATOM 0 HB2 HIS U 4 6.005 0.728 3.883 1.00 0.00 H new ATOM 0 HB3 HIS U 4 7.467 0.052 3.194 1.00 0.00 H new ATOM 0 HD1 HIS U 4 7.072 2.425 5.530 1.00 0.00 H new ATOM 0 HD2 HIS U 4 8.470 2.893 1.578 1.00 0.00 H new ATOM 0 HE1 HIS U 4 8.425 4.585 5.445 1.00 0.00 H new ATOM 1214 N LEU U 5 5.841 -1.245 0.586 1.00 0.00 N ATOM 1215 CA LEU U 5 5.171 -2.526 0.303 1.00 0.00 C ATOM 1216 C LEU U 5 6.122 -3.693 0.506 1.00 0.00 C ATOM 1217 O LEU U 5 7.166 -3.766 -0.138 1.00 0.00 O ATOM 1218 CB LEU U 5 4.643 -2.533 -1.134 1.00 0.00 C ATOM 1219 CG LEU U 5 4.080 -3.920 -1.485 1.00 0.00 C ATOM 1220 CD1 LEU U 5 2.949 -4.266 -0.517 1.00 0.00 C ATOM 1221 CD2 LEU U 5 3.554 -3.927 -2.936 1.00 0.00 C ATOM 0 H LEU U 5 6.694 -1.084 0.050 1.00 0.00 H new ATOM 0 HA LEU U 5 4.338 -2.636 0.997 1.00 0.00 H new ATOM 0 HB2 LEU U 5 3.866 -1.777 -1.247 1.00 0.00 H new ATOM 0 HB3 LEU U 5 5.444 -2.272 -1.825 1.00 0.00 H new ATOM 0 HG LEU U 5 4.872 -4.664 -1.398 1.00 0.00 H new ATOM 0 HD11 LEU U 5 2.547 -5.249 -0.763 1.00 0.00 H new ATOM 0 HD12 LEU U 5 3.333 -4.276 0.503 1.00 0.00 H new ATOM 0 HD13 LEU U 5 2.158 -3.520 -0.600 1.00 0.00 H new ATOM 0 HD21 LEU U 5 3.157 -4.914 -3.175 1.00 0.00 H new ATOM 0 HD22 LEU U 5 2.764 -3.184 -3.040 1.00 0.00 H new ATOM 0 HD23 LEU U 5 4.369 -3.688 -3.620 1.00 0.00 H new ATOM 1233 N GLN U 6 5.735 -4.626 1.377 1.00 0.00 N ATOM 1234 CA GLN U 6 6.552 -5.806 1.634 1.00 0.00 C ATOM 1235 C GLN U 6 5.680 -7.054 1.573 1.00 0.00 C ATOM 1236 O GLN U 6 4.914 -7.325 2.496 1.00 0.00 O ATOM 1237 CB GLN U 6 7.215 -5.697 3.010 1.00 0.00 C ATOM 1238 CG GLN U 6 8.169 -6.870 3.212 1.00 0.00 C ATOM 1239 CD GLN U 6 8.779 -6.821 4.611 1.00 0.00 C ATOM 1240 OE1 GLN U 6 8.069 -6.889 5.619 1.00 0.00 O ATOM 1241 NE2 GLN U 6 10.072 -6.692 4.726 1.00 0.00 N ATOM 0 H GLN U 6 4.867 -4.586 1.911 1.00 0.00 H new ATOM 0 HA GLN U 6 7.331 -5.874 0.874 1.00 0.00 H new ATOM 0 HB2 GLN U 6 7.758 -4.755 3.090 1.00 0.00 H new ATOM 0 HB3 GLN U 6 6.455 -5.694 3.792 1.00 0.00 H new ATOM 0 HG2 GLN U 6 7.635 -7.810 3.073 1.00 0.00 H new ATOM 0 HG3 GLN U 6 8.959 -6.838 2.462 1.00 0.00 H new ATOM 0 HE21 GLN U 6 10.655 -6.636 3.891 1.00 0.00 H new ATOM 0 HE22 GLN U 6 10.500 -6.647 5.651 1.00 0.00 H new ATOM 1250 N ILE U 7 5.799 -7.801 0.478 1.00 0.00 N ATOM 1251 CA ILE U 7 5.020 -9.031 0.292 1.00 0.00 C ATOM 1252 C ILE U 7 5.922 -10.257 0.374 1.00 0.00 C ATOM 1253 O ILE U 7 5.436 -11.293 0.791 1.00 0.00 O ATOM 1254 CB ILE U 7 4.320 -8.999 -1.070 1.00 0.00 C ATOM 1255 CG1 ILE U 7 3.497 -7.709 -1.193 1.00 0.00 C ATOM 1256 CG2 ILE U 7 3.400 -10.212 -1.209 1.00 0.00 C ATOM 1257 CD1 ILE U 7 2.458 -7.628 -0.063 1.00 0.00 C ATOM 1258 OXT ILE U 7 7.090 -10.138 0.036 1.00 0.00 O ATOM 0 H ILE U 7 6.426 -7.580 -0.296 1.00 0.00 H new ATOM 0 HA ILE U 7 4.275 -9.092 1.085 1.00 0.00 H new ATOM 0 HB ILE U 7 5.070 -9.028 -1.861 1.00 0.00 H new ATOM 0 HG12 ILE U 7 4.158 -6.843 -1.151 1.00 0.00 H new ATOM 0 HG13 ILE U 7 2.995 -7.681 -2.160 1.00 0.00 H new ATOM 0 HG21 ILE U 7 2.905 -10.184 -2.180 1.00 0.00 H new ATOM 0 HG22 ILE U 7 3.988 -11.126 -1.128 1.00 0.00 H new ATOM 0 HG23 ILE U 7 2.650 -10.192 -0.418 1.00 0.00 H new ATOM 0 HD11 ILE U 7 1.882 -6.708 -0.163 1.00 0.00 H new ATOM 0 HD12 ILE U 7 1.787 -8.485 -0.124 1.00 0.00 H new ATOM 0 HD13 ILE U 7 2.967 -7.634 0.901 1.00 0.00 H new ATOM 1271 N ILE W 1 7.021 11.932 -3.045 1.00 0.00 N ATOM 1272 CA ILE W 1 6.361 10.629 -2.756 1.00 0.00 C ATOM 1273 C ILE W 1 7.378 9.509 -2.917 1.00 0.00 C ATOM 1274 O ILE W 1 8.078 9.438 -3.932 1.00 0.00 O ATOM 1275 CB ILE W 1 5.198 10.414 -3.733 1.00 0.00 C ATOM 1276 CG1 ILE W 1 4.134 11.485 -3.488 1.00 0.00 C ATOM 1277 CG2 ILE W 1 4.598 9.023 -3.516 1.00 0.00 C ATOM 1278 CD1 ILE W 1 3.095 11.438 -4.605 1.00 0.00 C ATOM 0 H1 ILE W 1 6.523 12.693 -2.540 1.00 0.00 H new ATOM 0 H2 ILE W 1 8.011 11.897 -2.729 1.00 0.00 H new ATOM 0 H3 ILE W 1 6.990 12.118 -4.068 1.00 0.00 H new ATOM 0 HA ILE W 1 5.976 10.630 -1.736 1.00 0.00 H new ATOM 0 HB ILE W 1 5.558 10.489 -4.759 1.00 0.00 H new ATOM 0 HG12 ILE W 1 3.654 11.321 -2.523 1.00 0.00 H new ATOM 0 HG13 ILE W 1 4.598 12.471 -3.450 1.00 0.00 H new ATOM 0 HG21 ILE W 1 3.772 8.871 -4.210 1.00 0.00 H new ATOM 0 HG22 ILE W 1 5.362 8.266 -3.690 1.00 0.00 H new ATOM 0 HG23 ILE W 1 4.232 8.940 -2.493 1.00 0.00 H new ATOM 0 HD11 ILE W 1 2.337 12.202 -4.429 1.00 0.00 H new ATOM 0 HD12 ILE W 1 3.582 11.623 -5.563 1.00 0.00 H new ATOM 0 HD13 ILE W 1 2.623 10.456 -4.622 1.00 0.00 H new ATOM 1292 N HIS W 2 7.455 8.618 -1.920 1.00 0.00 N ATOM 1293 CA HIS W 2 8.382 7.505 -1.996 1.00 0.00 C ATOM 1294 C HIS W 2 7.588 6.213 -2.128 1.00 0.00 C ATOM 1295 O HIS W 2 6.776 5.897 -1.263 1.00 0.00 O ATOM 1296 CB HIS W 2 9.193 7.489 -0.679 1.00 0.00 C ATOM 1297 CG HIS W 2 9.957 6.204 -0.542 1.00 0.00 C ATOM 1298 ND1 HIS W 2 10.270 5.618 0.698 1.00 0.00 N ATOM 1299 CD2 HIS W 2 10.492 5.383 -1.486 1.00 0.00 C ATOM 1300 CE1 HIS W 2 10.963 4.498 0.446 1.00 0.00 C ATOM 1301 NE2 HIS W 2 11.131 4.304 -0.866 1.00 0.00 N ATOM 0 H HIS W 2 6.893 8.652 -1.069 1.00 0.00 H new ATOM 0 HA HIS W 2 9.049 7.601 -2.853 1.00 0.00 H new ATOM 0 HB2 HIS W 2 9.884 8.332 -0.661 1.00 0.00 H new ATOM 0 HB3 HIS W 2 8.520 7.610 0.170 1.00 0.00 H new ATOM 0 HD1 HIS W 2 10.017 5.978 1.618 1.00 0.00 H new ATOM 0 HD2 HIS W 2 10.432 5.541 -2.553 1.00 0.00 H new ATOM 0 HE1 HIS W 2 11.339 3.834 1.210 1.00 0.00 H new ATOM 1308 N VAL W 3 7.843 5.449 -3.192 1.00 0.00 N ATOM 1309 CA VAL W 3 7.153 4.171 -3.381 1.00 0.00 C ATOM 1310 C VAL W 3 8.162 3.038 -3.385 1.00 0.00 C ATOM 1311 O VAL W 3 9.053 3.018 -4.235 1.00 0.00 O ATOM 1312 CB VAL W 3 6.399 4.189 -4.712 1.00 0.00 C ATOM 1313 CG1 VAL W 3 5.659 2.865 -4.889 1.00 0.00 C ATOM 1314 CG2 VAL W 3 5.394 5.349 -4.721 1.00 0.00 C ATOM 0 H VAL W 3 8.511 5.687 -3.925 1.00 0.00 H new ATOM 0 HA VAL W 3 6.447 4.020 -2.565 1.00 0.00 H new ATOM 0 HB VAL W 3 7.106 4.324 -5.530 1.00 0.00 H new ATOM 0 HG11 VAL W 3 5.120 2.873 -5.836 1.00 0.00 H new ATOM 0 HG12 VAL W 3 6.376 2.044 -4.887 1.00 0.00 H new ATOM 0 HG13 VAL W 3 4.952 2.731 -4.070 1.00 0.00 H new ATOM 0 HG21 VAL W 3 4.859 5.359 -5.670 1.00 0.00 H new ATOM 0 HG22 VAL W 3 4.683 5.221 -3.905 1.00 0.00 H new ATOM 0 HG23 VAL W 3 5.926 6.292 -4.594 1.00 0.00 H new ATOM 1324 N HIS W 4 8.016 2.071 -2.463 1.00 0.00 N ATOM 1325 CA HIS W 4 8.912 0.933 -2.428 1.00 0.00 C ATOM 1326 C HIS W 4 8.167 -0.382 -2.633 1.00 0.00 C ATOM 1327 O HIS W 4 7.179 -0.649 -1.945 1.00 0.00 O ATOM 1328 CB HIS W 4 9.674 0.945 -1.090 1.00 0.00 C ATOM 1329 CG HIS W 4 10.960 0.177 -1.235 1.00 0.00 C ATOM 1330 ND1 HIS W 4 12.240 0.749 -1.107 1.00 0.00 N ATOM 1331 CD2 HIS W 4 11.162 -1.131 -1.524 1.00 0.00 C ATOM 1332 CE1 HIS W 4 13.132 -0.231 -1.323 1.00 0.00 C ATOM 1333 NE2 HIS W 4 12.531 -1.398 -1.578 1.00 0.00 N ATOM 0 H HIS W 4 7.291 2.066 -1.746 1.00 0.00 H new ATOM 0 HA HIS W 4 9.622 1.013 -3.252 1.00 0.00 H new ATOM 0 HB2 HIS W 4 9.884 1.971 -0.788 1.00 0.00 H new ATOM 0 HB3 HIS W 4 9.060 0.501 -0.306 1.00 0.00 H new ATOM 0 HD2 HIS W 4 10.381 -1.858 -1.688 1.00 0.00 H new ATOM 0 HE1 HIS W 4 14.203 -0.094 -1.294 1.00 0.00 H new ATOM 0 HE2 HIS W 4 12.978 -2.294 -1.771 1.00 0.00 H new ATOM 1341 N LEU W 5 8.666 -1.210 -3.555 1.00 0.00 N ATOM 1342 CA LEU W 5 8.048 -2.510 -3.831 1.00 0.00 C ATOM 1343 C LEU W 5 9.041 -3.634 -3.587 1.00 0.00 C ATOM 1344 O LEU W 5 9.995 -3.796 -4.348 1.00 0.00 O ATOM 1345 CB LEU W 5 7.585 -2.563 -5.282 1.00 0.00 C ATOM 1346 CG LEU W 5 6.691 -1.356 -5.593 1.00 0.00 C ATOM 1347 CD1 LEU W 5 6.246 -1.397 -7.077 1.00 0.00 C ATOM 1348 CD2 LEU W 5 5.465 -1.368 -4.659 1.00 0.00 C ATOM 0 H LEU W 5 9.491 -1.005 -4.120 1.00 0.00 H new ATOM 0 HA LEU W 5 7.195 -2.634 -3.164 1.00 0.00 H new ATOM 0 HB2 LEU W 5 8.448 -2.567 -5.948 1.00 0.00 H new ATOM 0 HB3 LEU W 5 7.037 -3.488 -5.464 1.00 0.00 H new ATOM 0 HG LEU W 5 7.251 -0.436 -5.426 1.00 0.00 H new ATOM 0 HD11 LEU W 5 5.611 -0.537 -7.290 1.00 0.00 H new ATOM 0 HD12 LEU W 5 7.125 -1.368 -7.721 1.00 0.00 H new ATOM 0 HD13 LEU W 5 5.688 -2.315 -7.264 1.00 0.00 H new ATOM 0 HD21 LEU W 5 4.830 -0.510 -4.881 1.00 0.00 H new ATOM 0 HD22 LEU W 5 4.899 -2.287 -4.813 1.00 0.00 H new ATOM 0 HD23 LEU W 5 5.797 -1.315 -3.622 1.00 0.00 H new ATOM 1360 N GLN W 6 8.800 -4.424 -2.537 1.00 0.00 N ATOM 1361 CA GLN W 6 9.676 -5.550 -2.211 1.00 0.00 C ATOM 1362 C GLN W 6 8.878 -6.840 -2.230 1.00 0.00 C ATOM 1363 O GLN W 6 8.072 -7.090 -1.336 1.00 0.00 O ATOM 1364 CB GLN W 6 10.309 -5.338 -0.831 1.00 0.00 C ATOM 1365 CG GLN W 6 11.249 -6.497 -0.523 1.00 0.00 C ATOM 1366 CD GLN W 6 11.851 -6.341 0.865 1.00 0.00 C ATOM 1367 OE1 GLN W 6 11.140 -6.322 1.870 1.00 0.00 O ATOM 1368 NE2 GLN W 6 13.147 -6.213 0.966 1.00 0.00 N ATOM 0 H GLN W 6 8.010 -4.305 -1.902 1.00 0.00 H new ATOM 0 HA GLN W 6 10.471 -5.614 -2.954 1.00 0.00 H new ATOM 0 HB2 GLN W 6 10.857 -4.396 -0.811 1.00 0.00 H new ATOM 0 HB3 GLN W 6 9.533 -5.272 -0.069 1.00 0.00 H new ATOM 0 HG2 GLN W 6 10.706 -7.440 -0.586 1.00 0.00 H new ATOM 0 HG3 GLN W 6 12.044 -6.536 -1.268 1.00 0.00 H new ATOM 0 HE21 GLN W 6 13.728 -6.230 0.128 1.00 0.00 H new ATOM 0 HE22 GLN W 6 13.578 -6.096 1.883 1.00 0.00 H new ATOM 1377 N ILE W 7 9.110 -7.654 -3.261 1.00 0.00 N ATOM 1378 CA ILE W 7 8.402 -8.926 -3.413 1.00 0.00 C ATOM 1379 C ILE W 7 9.381 -10.090 -3.410 1.00 0.00 C ATOM 1380 O ILE W 7 10.516 -9.890 -3.805 1.00 0.00 O ATOM 1381 CB ILE W 7 7.604 -8.918 -4.729 1.00 0.00 C ATOM 1382 CG1 ILE W 7 6.946 -7.541 -4.944 1.00 0.00 C ATOM 1383 CG2 ILE W 7 6.520 -10.000 -4.691 1.00 0.00 C ATOM 1384 CD1 ILE W 7 5.894 -7.270 -3.863 1.00 0.00 C ATOM 1385 OXT ILE W 7 8.978 -11.162 -2.995 1.00 0.00 O ATOM 0 H ILE W 7 9.782 -7.455 -4.002 1.00 0.00 H new ATOM 0 HA ILE W 7 7.719 -9.048 -2.572 1.00 0.00 H new ATOM 0 HB ILE W 7 8.289 -9.120 -5.552 1.00 0.00 H new ATOM 0 HG12 ILE W 7 7.707 -6.761 -4.922 1.00 0.00 H new ATOM 0 HG13 ILE W 7 6.481 -7.504 -5.929 1.00 0.00 H new ATOM 0 HG21 ILE W 7 5.960 -9.987 -5.626 1.00 0.00 H new ATOM 0 HG22 ILE W 7 6.985 -10.977 -4.560 1.00 0.00 H new ATOM 0 HG23 ILE W 7 5.842 -9.807 -3.860 1.00 0.00 H new ATOM 0 HD11 ILE W 7 5.441 -6.293 -4.033 1.00 0.00 H new ATOM 0 HD12 ILE W 7 5.123 -8.039 -3.905 1.00 0.00 H new ATOM 0 HD13 ILE W 7 6.368 -7.285 -2.882 1.00 0.00 H new ATOM 1398 N ILE Y 1 9.203 11.907 -7.494 1.00 0.00 N ATOM 1399 CA ILE Y 1 8.876 10.624 -6.808 1.00 0.00 C ATOM 1400 C ILE Y 1 10.013 9.629 -6.998 1.00 0.00 C ATOM 1401 O ILE Y 1 10.610 9.553 -8.071 1.00 0.00 O ATOM 1402 CB ILE Y 1 7.577 10.038 -7.406 1.00 0.00 C ATOM 1403 CG1 ILE Y 1 7.464 8.547 -7.054 1.00 0.00 C ATOM 1404 CG2 ILE Y 1 7.588 10.212 -8.923 1.00 0.00 C ATOM 1405 CD1 ILE Y 1 6.046 8.072 -7.298 1.00 0.00 C ATOM 0 H1 ILE Y 1 8.336 12.468 -7.612 1.00 0.00 H new ATOM 0 H2 ILE Y 1 9.886 12.442 -6.921 1.00 0.00 H new ATOM 0 H3 ILE Y 1 9.615 11.706 -8.427 1.00 0.00 H new ATOM 0 HA ILE Y 1 8.739 10.813 -5.743 1.00 0.00 H new ATOM 0 HB ILE Y 1 6.720 10.567 -6.988 1.00 0.00 H new ATOM 0 HG12 ILE Y 1 8.161 7.967 -7.658 1.00 0.00 H new ATOM 0 HG13 ILE Y 1 7.737 8.388 -6.011 1.00 0.00 H new ATOM 0 HG21 ILE Y 1 6.671 9.798 -9.343 1.00 0.00 H new ATOM 0 HG22 ILE Y 1 7.653 11.272 -9.167 1.00 0.00 H new ATOM 0 HG23 ILE Y 1 8.448 9.690 -9.343 1.00 0.00 H new ATOM 0 HD11 ILE Y 1 5.969 7.014 -7.048 1.00 0.00 H new ATOM 0 HD12 ILE Y 1 5.358 8.644 -6.675 1.00 0.00 H new ATOM 0 HD13 ILE Y 1 5.790 8.216 -8.348 1.00 0.00 H new ATOM 1419 N HIS Y 2 10.258 8.821 -5.965 1.00 0.00 N ATOM 1420 CA HIS Y 2 11.275 7.775 -6.061 1.00 0.00 C ATOM 1421 C HIS Y 2 10.551 6.437 -6.120 1.00 0.00 C ATOM 1422 O HIS Y 2 9.774 6.113 -5.224 1.00 0.00 O ATOM 1423 CB HIS Y 2 12.187 7.811 -4.816 1.00 0.00 C ATOM 1424 CG HIS Y 2 13.373 8.705 -5.048 1.00 0.00 C ATOM 1425 ND1 HIS Y 2 14.673 8.218 -5.044 1.00 0.00 N ATOM 1426 CD2 HIS Y 2 13.472 10.053 -5.278 1.00 0.00 C ATOM 1427 CE1 HIS Y 2 15.492 9.263 -5.265 1.00 0.00 C ATOM 1428 NE2 HIS Y 2 14.811 10.405 -5.415 1.00 0.00 N ATOM 0 H HIS Y 2 9.775 8.869 -5.068 1.00 0.00 H new ATOM 0 HA HIS Y 2 11.892 7.924 -6.947 1.00 0.00 H new ATOM 0 HB2 HIS Y 2 11.621 8.167 -3.955 1.00 0.00 H new ATOM 0 HB3 HIS Y 2 12.527 6.803 -4.579 1.00 0.00 H new ATOM 0 HD2 HIS Y 2 12.638 10.737 -5.343 1.00 0.00 H new ATOM 0 HE1 HIS Y 2 16.568 9.189 -5.315 1.00 0.00 H new ATOM 0 HE2 HIS Y 2 15.192 11.335 -5.592 1.00 0.00 H new ATOM 1436 N VAL Y 3 10.830 5.645 -7.155 1.00 0.00 N ATOM 1437 CA VAL Y 3 10.202 4.329 -7.284 1.00 0.00 C ATOM 1438 C VAL Y 3 11.259 3.246 -7.192 1.00 0.00 C ATOM 1439 O VAL Y 3 12.226 3.258 -7.951 1.00 0.00 O ATOM 1440 CB VAL Y 3 9.483 4.227 -8.626 1.00 0.00 C ATOM 1441 CG1 VAL Y 3 8.799 2.863 -8.731 1.00 0.00 C ATOM 1442 CG2 VAL Y 3 8.440 5.349 -8.733 1.00 0.00 C ATOM 0 H VAL Y 3 11.477 5.886 -7.906 1.00 0.00 H new ATOM 0 HA VAL Y 3 9.480 4.199 -6.478 1.00 0.00 H new ATOM 0 HB VAL Y 3 10.202 4.330 -9.439 1.00 0.00 H new ATOM 0 HG11 VAL Y 3 8.284 2.787 -9.689 1.00 0.00 H new ATOM 0 HG12 VAL Y 3 9.547 2.074 -8.658 1.00 0.00 H new ATOM 0 HG13 VAL Y 3 8.077 2.755 -7.922 1.00 0.00 H new ATOM 0 HG21 VAL Y 3 7.926 5.277 -9.691 1.00 0.00 H new ATOM 0 HG22 VAL Y 3 7.716 5.251 -7.924 1.00 0.00 H new ATOM 0 HG23 VAL Y 3 8.937 6.316 -8.660 1.00 0.00 H new ATOM 1452 N HIS Y 4 11.074 2.300 -6.266 1.00 0.00 N ATOM 1453 CA HIS Y 4 12.028 1.190 -6.113 1.00 0.00 C ATOM 1454 C HIS Y 4 11.313 -0.129 -6.391 1.00 0.00 C ATOM 1455 O HIS Y 4 10.249 -0.387 -5.827 1.00 0.00 O ATOM 1456 CB HIS Y 4 12.629 1.181 -4.678 1.00 0.00 C ATOM 1457 CG HIS Y 4 13.282 2.520 -4.320 1.00 0.00 C ATOM 1458 ND1 HIS Y 4 13.199 3.074 -3.036 1.00 0.00 N ATOM 1459 CD2 HIS Y 4 14.038 3.415 -5.054 1.00 0.00 C ATOM 1460 CE1 HIS Y 4 13.880 4.237 -3.050 1.00 0.00 C ATOM 1461 NE2 HIS Y 4 14.409 4.493 -4.251 1.00 0.00 N ATOM 0 H HIS Y 4 10.286 2.277 -5.619 1.00 0.00 H new ATOM 0 HA HIS Y 4 12.844 1.320 -6.824 1.00 0.00 H new ATOM 0 HB2 HIS Y 4 11.843 0.957 -3.957 1.00 0.00 H new ATOM 0 HB3 HIS Y 4 13.369 0.385 -4.600 1.00 0.00 H new ATOM 0 HD1 HIS Y 4 12.712 2.671 -2.236 1.00 0.00 H new ATOM 0 HD2 HIS Y 4 14.302 3.297 -6.095 1.00 0.00 H new ATOM 0 HE1 HIS Y 4 13.986 4.885 -2.193 1.00 0.00 H new ATOM 1468 N LEU Y 5 11.900 -0.967 -7.248 1.00 0.00 N ATOM 1469 CA LEU Y 5 11.300 -2.266 -7.588 1.00 0.00 C ATOM 1470 C LEU Y 5 12.280 -3.394 -7.322 1.00 0.00 C ATOM 1471 O LEU Y 5 13.359 -3.432 -7.908 1.00 0.00 O ATOM 1472 CB LEU Y 5 10.881 -2.276 -9.059 1.00 0.00 C ATOM 1473 CG LEU Y 5 10.390 -3.675 -9.458 1.00 0.00 C ATOM 1474 CD1 LEU Y 5 9.230 -4.088 -8.548 1.00 0.00 C ATOM 1475 CD2 LEU Y 5 9.922 -3.654 -10.918 1.00 0.00 C ATOM 0 H LEU Y 5 12.784 -0.775 -7.718 1.00 0.00 H new ATOM 0 HA LEU Y 5 10.421 -2.417 -6.962 1.00 0.00 H new ATOM 0 HB2 LEU Y 5 10.091 -1.544 -9.225 1.00 0.00 H new ATOM 0 HB3 LEU Y 5 11.723 -1.985 -9.687 1.00 0.00 H new ATOM 0 HG LEU Y 5 11.204 -4.392 -9.351 1.00 0.00 H new ATOM 0 HD11 LEU Y 5 8.881 -5.081 -8.831 1.00 0.00 H new ATOM 0 HD12 LEU Y 5 9.568 -4.104 -7.512 1.00 0.00 H new ATOM 0 HD13 LEU Y 5 8.414 -3.373 -8.652 1.00 0.00 H new ATOM 0 HD21 LEU Y 5 9.573 -4.647 -11.203 1.00 0.00 H new ATOM 0 HD22 LEU Y 5 9.108 -2.938 -11.029 1.00 0.00 H new ATOM 0 HD23 LEU Y 5 10.752 -3.363 -11.562 1.00 0.00 H new ATOM 1487 N GLN Y 6 11.884 -4.336 -6.468 1.00 0.00 N ATOM 1488 CA GLN Y 6 12.736 -5.481 -6.160 1.00 0.00 C ATOM 1489 C GLN Y 6 11.921 -6.764 -6.259 1.00 0.00 C ATOM 1490 O GLN Y 6 11.117 -7.062 -5.377 1.00 0.00 O ATOM 1491 CB GLN Y 6 13.320 -5.338 -4.751 1.00 0.00 C ATOM 1492 CG GLN Y 6 14.315 -6.468 -4.487 1.00 0.00 C ATOM 1493 CD GLN Y 6 14.846 -6.388 -3.051 1.00 0.00 C ATOM 1494 OE1 GLN Y 6 14.090 -6.469 -2.081 1.00 0.00 O ATOM 1495 NE2 GLN Y 6 16.119 -6.228 -2.861 1.00 0.00 N ATOM 0 H GLN Y 6 10.987 -4.329 -5.982 1.00 0.00 H new ATOM 0 HA GLN Y 6 13.557 -5.520 -6.876 1.00 0.00 H new ATOM 0 HB2 GLN Y 6 13.816 -4.373 -4.649 1.00 0.00 H new ATOM 0 HB3 GLN Y 6 12.520 -5.365 -4.011 1.00 0.00 H new ATOM 0 HG2 GLN Y 6 13.832 -7.432 -4.650 1.00 0.00 H new ATOM 0 HG3 GLN Y 6 15.144 -6.404 -5.192 1.00 0.00 H new ATOM 0 HE21 GLN Y 6 16.749 -6.160 -3.660 1.00 0.00 H new ATOM 0 HE22 GLN Y 6 16.490 -6.170 -1.913 1.00 0.00 H new ATOM 1504 N ILE Y 7 12.129 -7.508 -7.342 1.00 0.00 N ATOM 1505 CA ILE Y 7 11.413 -8.769 -7.563 1.00 0.00 C ATOM 1506 C ILE Y 7 12.364 -9.955 -7.446 1.00 0.00 C ATOM 1507 O ILE Y 7 11.910 -11.008 -7.037 1.00 0.00 O ATOM 1508 CB ILE Y 7 10.768 -8.761 -8.956 1.00 0.00 C ATOM 1509 CG1 ILE Y 7 9.912 -7.498 -9.114 1.00 0.00 C ATOM 1510 CG2 ILE Y 7 9.887 -9.999 -9.125 1.00 0.00 C ATOM 1511 CD1 ILE Y 7 8.832 -7.442 -8.016 1.00 0.00 C ATOM 1512 OXT ILE Y 7 13.533 -9.787 -7.753 1.00 0.00 O ATOM 0 H ILE Y 7 12.787 -7.263 -8.082 1.00 0.00 H new ATOM 0 HA ILE Y 7 10.639 -8.866 -6.802 1.00 0.00 H new ATOM 0 HB ILE Y 7 11.550 -8.770 -9.716 1.00 0.00 H new ATOM 0 HG12 ILE Y 7 10.545 -6.612 -9.057 1.00 0.00 H new ATOM 0 HG13 ILE Y 7 9.441 -7.490 -10.097 1.00 0.00 H new ATOM 0 HG21 ILE Y 7 9.431 -9.989 -10.115 1.00 0.00 H new ATOM 0 HG22 ILE Y 7 10.496 -10.896 -9.015 1.00 0.00 H new ATOM 0 HG23 ILE Y 7 9.105 -9.995 -8.366 1.00 0.00 H new ATOM 0 HD11 ILE Y 7 8.232 -6.540 -8.141 1.00 0.00 H new ATOM 0 HD12 ILE Y 7 8.189 -8.319 -8.093 1.00 0.00 H new ATOM 0 HD13 ILE Y 7 9.310 -7.427 -7.036 1.00 0.00 H new