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= -0.44 X(o=-4.9,f=-5) USER MOD Set 1.2: O 4 HIS : no HD1:sc=-0.00383 X(o=-4.9,f=-5.1) USER MOD Set 1.3: Q 2 HIS : no HD1:sc= -2.02 K(o=-4.9,f=-7.3!) USER MOD Set 1.4: Q 4 HIS : no HE2:sc= 0.00511 X(o=-4.9,f=-5.3) USER MOD Set 1.5: S 2 HIS : no HE2:sc= 0.196 K(o=-4.9,f=-9.1) USER MOD Set 1.6: S 4 HIS : no HD1:sc=-0.000416 X(o=-4.9,f=-4.6) USER MOD Set 1.7: U 2 HIS : no HE2:sc= -2.54 K(o=-4.9,f=-5.7!) USER MOD Set 1.8: U 4 HIS : no HE2:sc= 0.0231 X(o=-4.9,f=-5.2) USER MOD Set 1.9: W 2 HIS : no HD1:sc= -0.262 K(o=-4.9,f=-7.6) USER MOD Set 1.10: W 4 HIS : no HD1:sc= -0.0165 X(o=-4.9,f=-4.5) USER MOD Set 1.11: Y 2 HIS : no HD1:sc= 0 X(o=-4.9,f=-4.7) USER MOD Set 1.12: Y 4 HIS : no HD1:sc= 0.181 X(o=-4.9,f=-5) USER MOD Set 2.1: O 6 GLN : amide:sc= 0.469 K(o=-0.019,f=-1.4) USER MOD Set 2.2: Q 6 GLN : amide:sc= 0.541 K(o=-0.019,f=-5.2!) USER MOD Set 2.3: S 6 GLN : amide:sc= 0.127 K(o=-0.019,f=-9.6!) USER MOD Set 2.4: U 6 GLN : amide:sc= 0.0418 K(o=-0.019,f=-9.1!) USER MOD Set 2.5: W 6 GLN : amide:sc= -0.453 K(o=-0.019,f=-9.4!) USER MOD Set 2.6: Y 6 GLN : amide:sc= -0.745 K(o=-0.019,f=-8.2!) USER MOD Set 3.1: A 6 GLN : amide:sc= 0.595 K(o=0.48,f=-1.1) USER MOD Set 3.2: C 6 GLN : amide:sc= 0.742 K(o=0.48,f=-4.8!) USER MOD Set 3.3: E 6 GLN : amide:sc= 0.0969 K(o=0.48,f=-9.2!) USER MOD Set 3.4: G 6 GLN : amide:sc= 0.28 K(o=0.48,f=-7.8!) USER MOD Set 3.5: I 6 GLN : amide:sc= -0.443 K(o=0.48,f=-9.2!) USER MOD Set 3.6: K 6 GLN : amide:sc= -0.789 K(o=0.48,f=-7.2!) USER MOD Set 4.1: A 2 HIS : no HE2:sc= -0.4 X(o=-4.2,f=-4.6) USER MOD Set 4.2: A 4 HIS : no HD1:sc= -0.036 K(o=-4.2,f=-4.8) USER MOD Set 4.3: C 2 HIS : no HD1:sc= -2.01 K(o=-4.2,f=-7.4!) USER MOD Set 4.4: C 4 HIS : no HE2:sc= 0 X(o=-4.2,f=-4.7) USER MOD Set 4.5: E 2 HIS : no HE2:sc= 0.255 K(o=-4.2,f=-8.9!) USER MOD Set 4.6: E 4 HIS : no HD1:sc= 0 X(o=-4.2,f=-4.3) USER MOD Set 4.7: G 2 HIS : no HD1:sc= -2.11 K(o=-4.2,f=-6.6!) USER MOD Set 4.8: G 4 HIS : no HE2:sc= 0 K(o=-4.2,f=-5) USER MOD Set 4.9: I 2 HIS : no HE2:sc= 0.0554 K(o=-4.2,f=-7.6) USER MOD Set 4.10: I 4 HIS : no HD1:sc= 0 X(o=-4.2,f=-4.2) USER MOD Set 4.11: K 2 HIS : no HD1:sc= 0 X(o=-4.2,f=-4.2) USER MOD Set 4.12: K 4 HIS : no HD1:sc= 0 X(o=-4.2,f=-4.3) USER MOD Single : A 1 ILE N :NH3+ -152:sc= -0.183 (180deg=-1.07) USER MOD Single : C 1 ILE N :NH3+ -133:sc= -0.131 (180deg=-1.02) USER MOD Single : E 1 ILE N :NH3+ -153:sc= -0.211 (180deg=-1.05) USER MOD Single : G 1 ILE N :NH3+ -133:sc= -0.174 (180deg=-1.07) USER MOD Single : I 1 ILE N :NH3+ -151:sc= -0.189 (180deg=-1.05) USER MOD Single : K 1 ILE N :NH3+ -152:sc= -0.221 (180deg=-1.12) USER MOD Single : O 1 ILE N :NH3+ -153:sc= -0.177 (180deg=-1.12) USER MOD Single : Q 1 ILE N :NH3+ -151:sc= -0.199 (180deg=-1.05) USER MOD Single : S 1 ILE N :NH3+ -151:sc= -0.177 (180deg=-0.978) USER MOD Single : U 1 ILE N :NH3+ -151:sc= -0.197 (180deg=-1.04) USER MOD Single : W 1 ILE N :NH3+ -154:sc= -0.147 (180deg=-1.03) USER MOD Single : Y 1 ILE N :NH3+ -155:sc= -0.171 (180deg=-1.01) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 -11.224 -11.683 7.191 1.00 0.00 N ATOM 2 CA ILE A 1 -11.262 -10.431 8.000 1.00 0.00 C ATOM 3 C ILE A 1 -11.261 -9.223 7.064 1.00 0.00 C ATOM 4 O ILE A 1 -10.373 -9.072 6.216 1.00 0.00 O ATOM 5 CB ILE A 1 -10.037 -10.379 8.918 1.00 0.00 C ATOM 6 CG1 ILE A 1 -10.074 -11.578 9.871 1.00 0.00 C ATOM 7 CG2 ILE A 1 -10.064 -9.086 9.731 1.00 0.00 C ATOM 8 CD1 ILE A 1 -8.739 -11.681 10.610 1.00 0.00 C ATOM 0 H1 ILE A 1 -11.684 -12.452 7.719 1.00 0.00 H new ATOM 0 H2 ILE A 1 -11.726 -11.531 6.293 1.00 0.00 H new ATOM 0 H3 ILE A 1 -10.235 -11.940 6.996 1.00 0.00 H new ATOM 0 HA ILE A 1 -12.166 -10.414 8.608 1.00 0.00 H new ATOM 0 HB ILE A 1 -9.127 -10.411 8.318 1.00 0.00 H new ATOM 0 HG12 ILE A 1 -10.890 -11.464 10.585 1.00 0.00 H new ATOM 0 HG13 ILE A 1 -10.265 -12.495 9.313 1.00 0.00 H new ATOM 0 HG21 ILE A 1 -9.192 -9.049 10.384 1.00 0.00 H new ATOM 0 HG22 ILE A 1 -10.048 -8.231 9.055 1.00 0.00 H new ATOM 0 HG23 ILE A 1 -10.971 -9.054 10.334 1.00 0.00 H new ATOM 0 HD11 ILE A 1 -8.764 -12.534 11.289 1.00 0.00 H new ATOM 0 HD12 ILE A 1 -7.933 -11.815 9.888 1.00 0.00 H new ATOM 0 HD13 ILE A 1 -8.568 -10.768 11.180 1.00 0.00 H new ATOM 22 N HIS A 2 -12.266 -8.363 7.224 1.00 0.00 N ATOM 23 CA HIS A 2 -12.383 -7.179 6.417 1.00 0.00 C ATOM 24 C HIS A 2 -12.192 -5.947 7.295 1.00 0.00 C ATOM 25 O HIS A 2 -12.921 -5.754 8.264 1.00 0.00 O ATOM 26 CB HIS A 2 -13.804 -7.201 5.821 1.00 0.00 C ATOM 27 CG HIS A 2 -14.190 -5.863 5.264 1.00 0.00 C ATOM 28 ND1 HIS A 2 -15.510 -5.396 5.279 1.00 0.00 N ATOM 29 CD2 HIS A 2 -13.458 -4.904 4.636 1.00 0.00 C ATOM 30 CE1 HIS A 2 -15.520 -4.204 4.671 1.00 0.00 C ATOM 31 NE2 HIS A 2 -14.305 -3.850 4.255 1.00 0.00 N ATOM 0 H HIS A 2 -13.009 -8.478 7.914 1.00 0.00 H new ATOM 0 HA HIS A 2 -11.631 -7.148 5.628 1.00 0.00 H new ATOM 0 HB2 HIS A 2 -13.857 -7.953 5.033 1.00 0.00 H new ATOM 0 HB3 HIS A 2 -14.518 -7.495 6.591 1.00 0.00 H new ATOM 0 HD1 HIS A 2 -16.316 -5.876 5.680 1.00 0.00 H new ATOM 0 HD2 HIS A 2 -12.394 -4.946 4.458 1.00 0.00 H new ATOM 0 HE1 HIS A 2 -16.406 -3.602 4.534 1.00 0.00 H new ATOM 38 N VAL A 3 -11.227 -5.100 6.932 1.00 0.00 N ATOM 39 CA VAL A 3 -10.978 -3.869 7.683 1.00 0.00 C ATOM 40 C VAL A 3 -11.216 -2.668 6.786 1.00 0.00 C ATOM 41 O VAL A 3 -10.556 -2.528 5.756 1.00 0.00 O ATOM 42 CB VAL A 3 -9.539 -3.849 8.191 1.00 0.00 C ATOM 43 CG1 VAL A 3 -9.299 -2.595 9.044 1.00 0.00 C ATOM 44 CG2 VAL A 3 -9.273 -5.108 9.032 1.00 0.00 C ATOM 0 H VAL A 3 -10.611 -5.242 6.131 1.00 0.00 H new ATOM 0 HA VAL A 3 -11.658 -3.828 8.534 1.00 0.00 H new ATOM 0 HB VAL A 3 -8.860 -3.832 7.339 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -8.269 -2.590 9.402 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -9.478 -1.705 8.441 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -9.979 -2.599 9.896 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -8.245 -5.093 9.394 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -9.957 -5.130 9.881 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -9.428 -5.995 8.418 1.00 0.00 H new ATOM 54 N HIS A 4 -12.116 -1.773 7.193 1.00 0.00 N ATOM 55 CA HIS A 4 -12.375 -0.575 6.443 1.00 0.00 C ATOM 56 C HIS A 4 -12.052 0.658 7.265 1.00 0.00 C ATOM 57 O HIS A 4 -12.489 0.781 8.411 1.00 0.00 O ATOM 58 CB HIS A 4 -13.844 -0.589 5.979 1.00 0.00 C ATOM 59 CG HIS A 4 -13.999 0.261 4.746 1.00 0.00 C ATOM 60 ND1 HIS A 4 -14.309 -0.246 3.469 1.00 0.00 N ATOM 61 CD2 HIS A 4 -13.884 1.599 4.596 1.00 0.00 C ATOM 62 CE1 HIS A 4 -14.362 0.798 2.631 1.00 0.00 C ATOM 63 NE2 HIS A 4 -14.114 1.950 3.265 1.00 0.00 N ATOM 0 H HIS A 4 -12.672 -1.869 8.043 1.00 0.00 H new ATOM 0 HA HIS A 4 -11.730 -0.541 5.565 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -14.158 -1.611 5.769 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -14.489 -0.214 6.773 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -13.649 2.294 5.389 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -14.578 0.720 1.576 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -14.097 2.886 2.861 1.00 0.00 H new ATOM 71 N LEU A 5 -11.291 1.582 6.663 1.00 0.00 N ATOM 72 CA LEU A 5 -10.924 2.811 7.346 1.00 0.00 C ATOM 73 C LEU A 5 -11.084 4.008 6.427 1.00 0.00 C ATOM 74 O LEU A 5 -10.290 4.210 5.519 1.00 0.00 O ATOM 75 CB LEU A 5 -9.458 2.713 7.853 1.00 0.00 C ATOM 76 CG LEU A 5 -9.361 3.174 9.319 1.00 0.00 C ATOM 77 CD1 LEU A 5 -10.122 4.507 9.528 1.00 0.00 C ATOM 78 CD2 LEU A 5 -9.939 2.074 10.232 1.00 0.00 C ATOM 0 H LEU A 5 -10.925 1.496 5.715 1.00 0.00 H new ATOM 0 HA LEU A 5 -11.590 2.948 8.198 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -9.105 1.686 7.765 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -8.810 3.328 7.229 1.00 0.00 H new ATOM 0 HG LEU A 5 -8.315 3.345 9.572 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -10.040 4.813 10.571 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -9.690 5.277 8.889 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -11.173 4.370 9.272 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -9.874 2.393 11.272 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -10.982 1.896 9.972 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -9.370 1.154 10.098 1.00 0.00 H new ATOM 90 N GLN A 6 -12.090 4.832 6.702 1.00 0.00 N ATOM 91 CA GLN A 6 -12.318 6.031 5.898 1.00 0.00 C ATOM 92 C GLN A 6 -11.902 7.268 6.682 1.00 0.00 C ATOM 93 O GLN A 6 -12.533 7.621 7.675 1.00 0.00 O ATOM 94 CB GLN A 6 -13.795 6.121 5.531 1.00 0.00 C ATOM 95 CG GLN A 6 -14.000 7.269 4.543 1.00 0.00 C ATOM 96 CD GLN A 6 -15.482 7.431 4.233 1.00 0.00 C ATOM 97 OE1 GLN A 6 -16.314 7.396 5.139 1.00 0.00 O ATOM 98 NE2 GLN A 6 -15.862 7.605 2.997 1.00 0.00 N ATOM 0 H GLN A 6 -12.753 4.696 7.465 1.00 0.00 H new ATOM 0 HA GLN A 6 -11.722 5.974 4.987 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -14.130 5.182 5.090 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -14.395 6.285 6.426 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -13.604 8.195 4.961 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -13.447 7.072 3.624 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -15.169 7.633 2.249 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -16.852 7.713 2.778 1.00 0.00 H new ATOM 107 N ILE A 7 -10.827 7.920 6.232 1.00 0.00 N ATOM 108 CA ILE A 7 -10.319 9.117 6.906 1.00 0.00 C ATOM 109 C ILE A 7 -10.338 10.307 5.953 1.00 0.00 C ATOM 110 O ILE A 7 -10.519 11.416 6.426 1.00 0.00 O ATOM 111 CB ILE A 7 -8.884 8.868 7.388 1.00 0.00 C ATOM 112 CG1 ILE A 7 -8.810 7.523 8.108 1.00 0.00 C ATOM 113 CG2 ILE A 7 -8.482 9.979 8.358 1.00 0.00 C ATOM 114 CD1 ILE A 7 -7.358 7.204 8.444 1.00 0.00 C ATOM 115 OXT ILE A 7 -10.179 10.092 4.761 1.00 0.00 O ATOM 0 H ILE A 7 -10.294 7.641 5.408 1.00 0.00 H new ATOM 0 HA ILE A 7 -10.958 9.338 7.761 1.00 0.00 H new ATOM 0 HB ILE A 7 -8.209 8.859 6.532 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -9.407 7.553 9.020 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -9.229 6.738 7.478 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -7.463 9.808 8.705 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -8.536 10.942 7.851 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -9.160 9.980 9.211 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -7.306 6.244 8.958 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -6.774 7.156 7.525 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -6.954 7.984 9.090 1.00 0.00 H new ATOM 128 N ILE C 1 -7.879 -11.761 3.440 1.00 0.00 N ATOM 129 CA ILE C 1 -7.979 -10.523 4.264 1.00 0.00 C ATOM 130 C ILE C 1 -8.055 -9.313 3.340 1.00 0.00 C ATOM 131 O ILE C 1 -7.144 -9.068 2.536 1.00 0.00 O ATOM 132 CB ILE C 1 -6.744 -10.410 5.164 1.00 0.00 C ATOM 133 CG1 ILE C 1 -6.719 -11.597 6.132 1.00 0.00 C ATOM 134 CG2 ILE C 1 -6.810 -9.109 5.960 1.00 0.00 C ATOM 135 CD1 ILE C 1 -5.364 -11.654 6.835 1.00 0.00 C ATOM 0 H1 ILE C 1 -8.551 -12.470 3.796 1.00 0.00 H new ATOM 0 H2 ILE C 1 -8.104 -11.538 2.449 1.00 0.00 H new ATOM 0 H3 ILE C 1 -6.912 -12.140 3.499 1.00 0.00 H new ATOM 0 HA ILE C 1 -8.874 -10.563 4.885 1.00 0.00 H new ATOM 0 HB ILE C 1 -5.842 -10.414 4.551 1.00 0.00 H new ATOM 0 HG12 ILE C 1 -7.518 -11.497 6.867 1.00 0.00 H new ATOM 0 HG13 ILE C 1 -6.899 -12.526 5.590 1.00 0.00 H new ATOM 0 HG21 ILE C 1 -5.931 -9.029 6.600 1.00 0.00 H new ATOM 0 HG22 ILE C 1 -6.837 -8.263 5.273 1.00 0.00 H new ATOM 0 HG23 ILE C 1 -7.709 -9.105 6.576 1.00 0.00 H new ATOM 0 HD11 ILE C 1 -5.347 -12.499 7.524 1.00 0.00 H new ATOM 0 HD12 ILE C 1 -4.574 -11.774 6.093 1.00 0.00 H new ATOM 0 HD13 ILE C 1 -5.203 -10.730 7.390 1.00 0.00 H new ATOM 149 N HIS C 2 -9.139 -8.539 3.452 1.00 0.00 N ATOM 150 CA HIS C 2 -9.278 -7.341 2.615 1.00 0.00 C ATOM 151 C HIS C 2 -9.169 -6.102 3.499 1.00 0.00 C ATOM 152 O HIS C 2 -9.975 -5.917 4.407 1.00 0.00 O ATOM 153 CB HIS C 2 -10.663 -7.349 1.930 1.00 0.00 C ATOM 154 CG HIS C 2 -10.633 -8.129 0.636 1.00 0.00 C ATOM 155 ND1 HIS C 2 -10.940 -7.543 -0.583 1.00 0.00 N ATOM 156 CD2 HIS C 2 -10.364 -9.448 0.354 1.00 0.00 C ATOM 157 CE1 HIS C 2 -10.849 -8.494 -1.530 1.00 0.00 C ATOM 158 NE2 HIS C 2 -10.501 -9.674 -1.013 1.00 0.00 N ATOM 0 H HIS C 2 -9.913 -8.712 4.094 1.00 0.00 H new ATOM 0 HA HIS C 2 -8.494 -7.331 1.857 1.00 0.00 H new ATOM 0 HB2 HIS C 2 -11.401 -7.786 2.603 1.00 0.00 H new ATOM 0 HB3 HIS C 2 -10.979 -6.325 1.732 1.00 0.00 H new ATOM 0 HD2 HIS C 2 -10.088 -10.196 1.083 1.00 0.00 H new ATOM 0 HE1 HIS C 2 -11.035 -8.323 -2.580 1.00 0.00 H new ATOM 0 HE2 HIS C 2 -10.365 -10.553 -1.512 1.00 0.00 H new ATOM 166 N VAL C 3 -8.217 -5.215 3.184 1.00 0.00 N ATOM 167 CA VAL C 3 -8.078 -3.961 3.931 1.00 0.00 C ATOM 168 C VAL C 3 -8.341 -2.787 2.997 1.00 0.00 C ATOM 169 O VAL C 3 -7.707 -2.667 1.942 1.00 0.00 O ATOM 170 CB VAL C 3 -6.680 -3.857 4.539 1.00 0.00 C ATOM 171 CG1 VAL C 3 -6.468 -5.013 5.521 1.00 0.00 C ATOM 172 CG2 VAL C 3 -5.636 -3.937 3.437 1.00 0.00 C ATOM 0 H VAL C 3 -7.542 -5.340 2.429 1.00 0.00 H new ATOM 0 HA VAL C 3 -8.804 -3.943 4.744 1.00 0.00 H new ATOM 0 HB VAL C 3 -6.583 -2.906 5.062 1.00 0.00 H new ATOM 0 HG11 VAL C 3 -5.471 -4.942 5.957 1.00 0.00 H new ATOM 0 HG12 VAL C 3 -7.215 -4.959 6.313 1.00 0.00 H new ATOM 0 HG13 VAL C 3 -6.566 -5.962 4.993 1.00 0.00 H new ATOM 0 HG21 VAL C 3 -4.640 -3.863 3.873 1.00 0.00 H new ATOM 0 HG22 VAL C 3 -5.732 -4.888 2.913 1.00 0.00 H new ATOM 0 HG23 VAL C 3 -5.786 -3.118 2.734 1.00 0.00 H new ATOM 182 N HIS C 4 -9.273 -1.913 3.380 1.00 0.00 N ATOM 183 CA HIS C 4 -9.594 -0.737 2.559 1.00 0.00 C ATOM 184 C HIS C 4 -9.304 0.549 3.336 1.00 0.00 C ATOM 185 O HIS C 4 -9.774 0.711 4.460 1.00 0.00 O ATOM 186 CB HIS C 4 -11.094 -0.769 2.167 1.00 0.00 C ATOM 187 CG HIS C 4 -11.489 -2.069 1.460 1.00 0.00 C ATOM 188 ND1 HIS C 4 -12.720 -2.697 1.691 1.00 0.00 N ATOM 189 CD2 HIS C 4 -10.857 -2.854 0.511 1.00 0.00 C ATOM 190 CE1 HIS C 4 -12.780 -3.787 0.907 1.00 0.00 C ATOM 191 NE2 HIS C 4 -11.677 -3.934 0.169 1.00 0.00 N ATOM 0 H HIS C 4 -9.814 -1.992 4.241 1.00 0.00 H new ATOM 0 HA HIS C 4 -8.977 -0.759 1.661 1.00 0.00 H new ATOM 0 HB2 HIS C 4 -11.703 -0.647 3.063 1.00 0.00 H new ATOM 0 HB3 HIS C 4 -11.314 0.076 1.515 1.00 0.00 H new ATOM 0 HD1 HIS C 4 -13.442 -2.383 2.339 1.00 0.00 H new ATOM 0 HD2 HIS C 4 -9.878 -2.661 0.097 1.00 0.00 H new ATOM 0 HE1 HIS C 4 -13.621 -4.464 0.877 1.00 0.00 H new ATOM 198 N LEU C 5 -8.561 1.476 2.726 1.00 0.00 N ATOM 199 CA LEU C 5 -8.256 2.757 3.380 1.00 0.00 C ATOM 200 C LEU C 5 -8.434 3.908 2.406 1.00 0.00 C ATOM 201 O LEU C 5 -7.877 3.896 1.305 1.00 0.00 O ATOM 202 CB LEU C 5 -6.833 2.759 3.909 1.00 0.00 C ATOM 203 CG LEU C 5 -6.619 1.545 4.849 1.00 0.00 C ATOM 204 CD1 LEU C 5 -6.058 0.356 4.054 1.00 0.00 C ATOM 205 CD2 LEU C 5 -5.631 1.920 5.960 1.00 0.00 C ATOM 0 H LEU C 5 -8.163 1.369 1.793 1.00 0.00 H new ATOM 0 HA LEU C 5 -8.948 2.883 4.213 1.00 0.00 H new ATOM 0 HB2 LEU C 5 -6.127 2.717 3.079 1.00 0.00 H new ATOM 0 HB3 LEU C 5 -6.637 3.686 4.447 1.00 0.00 H new ATOM 0 HG LEU C 5 -7.577 1.266 5.288 1.00 0.00 H new ATOM 0 HD11 LEU C 5 -5.911 -0.492 4.723 1.00 0.00 H new ATOM 0 HD12 LEU C 5 -6.760 0.080 3.267 1.00 0.00 H new ATOM 0 HD13 LEU C 5 -5.104 0.635 3.607 1.00 0.00 H new ATOM 0 HD21 LEU C 5 -5.483 1.065 6.619 1.00 0.00 H new ATOM 0 HD22 LEU C 5 -4.677 2.207 5.517 1.00 0.00 H new ATOM 0 HD23 LEU C 5 -6.030 2.756 6.535 1.00 0.00 H new ATOM 217 N GLN C 6 -9.196 4.919 2.828 1.00 0.00 N ATOM 218 CA GLN C 6 -9.427 6.093 1.988 1.00 0.00 C ATOM 219 C GLN C 6 -8.983 7.345 2.727 1.00 0.00 C ATOM 220 O GLN C 6 -9.623 7.761 3.688 1.00 0.00 O ATOM 221 CB GLN C 6 -10.912 6.194 1.632 1.00 0.00 C ATOM 222 CG GLN C 6 -11.134 7.398 0.710 1.00 0.00 C ATOM 223 CD GLN C 6 -12.616 7.561 0.414 1.00 0.00 C ATOM 224 OE1 GLN C 6 -13.420 7.718 1.333 1.00 0.00 O ATOM 225 NE2 GLN C 6 -13.027 7.545 -0.823 1.00 0.00 N ATOM 0 H GLN C 6 -9.659 4.948 3.737 1.00 0.00 H new ATOM 0 HA GLN C 6 -8.849 5.997 1.069 1.00 0.00 H new ATOM 0 HB2 GLN C 6 -11.242 5.279 1.140 1.00 0.00 H new ATOM 0 HB3 GLN C 6 -11.508 6.301 2.538 1.00 0.00 H new ATOM 0 HG2 GLN C 6 -10.747 8.302 1.180 1.00 0.00 H new ATOM 0 HG3 GLN C 6 -10.582 7.261 -0.220 1.00 0.00 H new ATOM 0 HE21 GLN C 6 -12.357 7.415 -1.581 1.00 0.00 H new ATOM 0 HE22 GLN C 6 -14.018 7.663 -1.033 1.00 0.00 H new ATOM 234 N ILE C 7 -7.887 7.943 2.264 1.00 0.00 N ATOM 235 CA ILE C 7 -7.358 9.158 2.886 1.00 0.00 C ATOM 236 C ILE C 7 -7.403 10.321 1.901 1.00 0.00 C ATOM 237 O ILE C 7 -7.271 10.075 0.712 1.00 0.00 O ATOM 238 CB ILE C 7 -5.914 8.921 3.332 1.00 0.00 C ATOM 239 CG1 ILE C 7 -5.872 7.741 4.307 1.00 0.00 C ATOM 240 CG2 ILE C 7 -5.392 10.176 4.037 1.00 0.00 C ATOM 241 CD1 ILE C 7 -4.417 7.346 4.566 1.00 0.00 C ATOM 242 OXT ILE C 7 -7.574 11.443 2.348 1.00 0.00 O ATOM 0 H ILE C 7 -7.349 7.609 1.464 1.00 0.00 H new ATOM 0 HA ILE C 7 -7.972 9.405 3.752 1.00 0.00 H new ATOM 0 HB ILE C 7 -5.293 8.701 2.463 1.00 0.00 H new ATOM 0 HG12 ILE C 7 -6.359 8.012 5.244 1.00 0.00 H new ATOM 0 HG13 ILE C 7 -6.422 6.895 3.895 1.00 0.00 H new ATOM 0 HG21 ILE C 7 -4.363 10.012 4.357 1.00 0.00 H new ATOM 0 HG22 ILE C 7 -5.428 11.021 3.350 1.00 0.00 H new ATOM 0 HG23 ILE C 7 -6.013 10.389 4.907 1.00 0.00 H new ATOM 0 HD11 ILE C 7 -4.386 6.506 5.260 1.00 0.00 H new ATOM 0 HD12 ILE C 7 -3.945 7.058 3.626 1.00 0.00 H new ATOM 0 HD13 ILE C 7 -3.881 8.192 4.996 1.00 0.00 H new ATOM 255 N ILE E 1 -5.302 -11.687 -0.554 1.00 0.00 N ATOM 256 CA ILE E 1 -5.258 -10.435 0.254 1.00 0.00 C ATOM 257 C ILE E 1 -5.339 -9.232 -0.679 1.00 0.00 C ATOM 258 O ILE E 1 -4.526 -9.086 -1.596 1.00 0.00 O ATOM 259 CB ILE E 1 -3.954 -10.390 1.056 1.00 0.00 C ATOM 260 CG1 ILE E 1 -3.915 -11.582 2.017 1.00 0.00 C ATOM 261 CG2 ILE E 1 -3.890 -9.090 1.855 1.00 0.00 C ATOM 262 CD1 ILE E 1 -2.528 -11.681 2.651 1.00 0.00 C ATOM 0 H1 ILE E 1 -5.698 -12.458 0.021 1.00 0.00 H new ATOM 0 H2 ILE E 1 -5.899 -11.538 -1.392 1.00 0.00 H new ATOM 0 H3 ILE E 1 -4.339 -11.940 -0.855 1.00 0.00 H new ATOM 0 HA ILE E 1 -6.101 -10.412 0.945 1.00 0.00 H new ATOM 0 HB ILE E 1 -3.103 -10.437 0.376 1.00 0.00 H new ATOM 0 HG12 ILE E 1 -4.673 -11.463 2.791 1.00 0.00 H new ATOM 0 HG13 ILE E 1 -4.148 -12.502 1.481 1.00 0.00 H new ATOM 0 HG21 ILE E 1 -2.962 -9.059 2.425 1.00 0.00 H new ATOM 0 HG22 ILE E 1 -3.925 -8.241 1.172 1.00 0.00 H new ATOM 0 HG23 ILE E 1 -4.738 -9.041 2.539 1.00 0.00 H new ATOM 0 HD11 ILE E 1 -2.500 -12.529 3.335 1.00 0.00 H new ATOM 0 HD12 ILE E 1 -1.780 -11.820 1.870 1.00 0.00 H new ATOM 0 HD13 ILE E 1 -2.313 -10.765 3.201 1.00 0.00 H new ATOM 276 N HIS E 2 -6.330 -8.370 -0.439 1.00 0.00 N ATOM 277 CA HIS E 2 -6.514 -7.191 -1.255 1.00 0.00 C ATOM 278 C HIS E 2 -6.247 -5.947 -0.423 1.00 0.00 C ATOM 279 O HIS E 2 -6.887 -5.740 0.605 1.00 0.00 O ATOM 280 CB HIS E 2 -7.982 -7.193 -1.712 1.00 0.00 C ATOM 281 CG HIS E 2 -8.375 -5.866 -2.301 1.00 0.00 C ATOM 282 ND1 HIS E 2 -9.664 -5.320 -2.174 1.00 0.00 N ATOM 283 CD2 HIS E 2 -7.673 -4.984 -3.063 1.00 0.00 C ATOM 284 CE1 HIS E 2 -9.681 -4.168 -2.852 1.00 0.00 C ATOM 285 NE2 HIS E 2 -8.502 -3.908 -3.414 1.00 0.00 N ATOM 0 H HIS E 2 -7.010 -8.475 0.314 1.00 0.00 H new ATOM 0 HA HIS E 2 -5.833 -7.192 -2.106 1.00 0.00 H new ATOM 0 HB2 HIS E 2 -8.134 -7.980 -2.451 1.00 0.00 H new ATOM 0 HB3 HIS E 2 -8.628 -7.422 -0.865 1.00 0.00 H new ATOM 0 HD1 HIS E 2 -10.444 -5.728 -1.659 1.00 0.00 H new ATOM 0 HD2 HIS E 2 -6.638 -5.095 -3.353 1.00 0.00 H new ATOM 0 HE1 HIS E 2 -10.546 -3.526 -2.934 1.00 0.00 H new ATOM 292 N VAL E 3 -5.325 -5.101 -0.886 1.00 0.00 N ATOM 293 CA VAL E 3 -5.027 -3.857 -0.176 1.00 0.00 C ATOM 294 C VAL E 3 -5.352 -2.671 -1.057 1.00 0.00 C ATOM 295 O VAL E 3 -4.777 -2.534 -2.134 1.00 0.00 O ATOM 296 CB VAL E 3 -3.550 -3.815 0.208 1.00 0.00 C ATOM 297 CG1 VAL E 3 -3.247 -2.550 1.036 1.00 0.00 C ATOM 298 CG2 VAL E 3 -3.194 -5.069 1.019 1.00 0.00 C ATOM 0 H VAL E 3 -4.780 -5.251 -1.735 1.00 0.00 H new ATOM 0 HA VAL E 3 -5.635 -3.814 0.728 1.00 0.00 H new ATOM 0 HB VAL E 3 -2.948 -3.788 -0.700 1.00 0.00 H new ATOM 0 HG11 VAL E 3 -2.190 -2.534 1.302 1.00 0.00 H new ATOM 0 HG12 VAL E 3 -3.486 -1.664 0.448 1.00 0.00 H new ATOM 0 HG13 VAL E 3 -3.850 -2.556 1.944 1.00 0.00 H new ATOM 0 HG21 VAL E 3 -2.139 -5.038 1.293 1.00 0.00 H new ATOM 0 HG22 VAL E 3 -3.803 -5.103 1.923 1.00 0.00 H new ATOM 0 HG23 VAL E 3 -3.387 -5.958 0.418 1.00 0.00 H new ATOM 308 N HIS E 4 -6.226 -1.777 -0.583 1.00 0.00 N ATOM 309 CA HIS E 4 -6.546 -0.588 -1.320 1.00 0.00 C ATOM 310 C HIS E 4 -6.164 0.654 -0.538 1.00 0.00 C ATOM 311 O HIS E 4 -6.503 0.791 0.645 1.00 0.00 O ATOM 312 CB HIS E 4 -8.040 -0.613 -1.694 1.00 0.00 C ATOM 313 CG HIS E 4 -8.275 0.226 -2.923 1.00 0.00 C ATOM 314 ND1 HIS E 4 -8.610 -0.295 -4.193 1.00 0.00 N ATOM 315 CD2 HIS E 4 -8.233 1.566 -3.071 1.00 0.00 C ATOM 316 CE1 HIS E 4 -8.750 0.751 -5.023 1.00 0.00 C ATOM 317 NE2 HIS E 4 -8.534 1.910 -4.393 1.00 0.00 N ATOM 0 H HIS E 4 -6.714 -1.870 0.308 1.00 0.00 H new ATOM 0 HA HIS E 4 -5.966 -0.558 -2.242 1.00 0.00 H new ATOM 0 HB2 HIS E 4 -8.361 -1.639 -1.876 1.00 0.00 H new ATOM 0 HB3 HIS E 4 -8.638 -0.234 -0.865 1.00 0.00 H new ATOM 0 HD2 HIS E 4 -8.001 2.269 -2.285 1.00 0.00 H new ATOM 0 HE1 HIS E 4 -9.005 0.667 -6.069 1.00 0.00 H new ATOM 0 HE2 HIS E 4 -8.579 2.848 -4.792 1.00 0.00 H new ATOM 325 N LEU E 5 -5.449 1.560 -1.216 1.00 0.00 N ATOM 326 CA LEU E 5 -5.014 2.794 -0.593 1.00 0.00 C ATOM 327 C LEU E 5 -5.250 3.977 -1.511 1.00 0.00 C ATOM 328 O LEU E 5 -4.527 4.172 -2.479 1.00 0.00 O ATOM 329 CB LEU E 5 -3.501 2.690 -0.239 1.00 0.00 C ATOM 330 CG LEU E 5 -3.246 3.171 1.199 1.00 0.00 C ATOM 331 CD1 LEU E 5 -3.992 4.503 1.474 1.00 0.00 C ATOM 332 CD2 LEU E 5 -3.703 2.074 2.183 1.00 0.00 C ATOM 0 H LEU E 5 -5.166 1.453 -2.190 1.00 0.00 H new ATOM 0 HA LEU E 5 -5.594 2.949 0.317 1.00 0.00 H new ATOM 0 HB2 LEU E 5 -3.167 1.658 -0.347 1.00 0.00 H new ATOM 0 HB3 LEU E 5 -2.917 3.289 -0.937 1.00 0.00 H new ATOM 0 HG LEU E 5 -2.181 3.358 1.335 1.00 0.00 H new ATOM 0 HD11 LEU E 5 -3.797 4.825 2.497 1.00 0.00 H new ATOM 0 HD12 LEU E 5 -3.640 5.267 0.780 1.00 0.00 H new ATOM 0 HD13 LEU E 5 -5.063 4.355 1.338 1.00 0.00 H new ATOM 0 HD21 LEU E 5 -3.526 2.406 3.206 1.00 0.00 H new ATOM 0 HD22 LEU E 5 -4.766 1.880 2.043 1.00 0.00 H new ATOM 0 HD23 LEU E 5 -3.140 1.160 1.996 1.00 0.00 H new ATOM 344 N GLN E 6 -6.239 4.800 -1.172 1.00 0.00 N ATOM 345 CA GLN E 6 -6.531 5.987 -1.976 1.00 0.00 C ATOM 346 C GLN E 6 -6.076 7.239 -1.240 1.00 0.00 C ATOM 347 O GLN E 6 -6.618 7.577 -0.192 1.00 0.00 O ATOM 348 CB GLN E 6 -8.029 6.054 -2.249 1.00 0.00 C ATOM 349 CG GLN E 6 -8.312 7.185 -3.236 1.00 0.00 C ATOM 350 CD GLN E 6 -9.812 7.317 -3.465 1.00 0.00 C ATOM 351 OE1 GLN E 6 -10.595 7.266 -2.520 1.00 0.00 O ATOM 352 NE2 GLN E 6 -10.259 7.480 -4.679 1.00 0.00 N ATOM 0 H GLN E 6 -6.844 4.672 -0.360 1.00 0.00 H new ATOM 0 HA GLN E 6 -5.994 5.926 -2.923 1.00 0.00 H new ATOM 0 HB2 GLN E 6 -8.379 5.105 -2.655 1.00 0.00 H new ATOM 0 HB3 GLN E 6 -8.573 6.223 -1.319 1.00 0.00 H new ATOM 0 HG2 GLN E 6 -7.911 8.123 -2.851 1.00 0.00 H new ATOM 0 HG3 GLN E 6 -7.808 6.987 -4.182 1.00 0.00 H new ATOM 0 HE21 GLN E 6 -9.606 7.522 -5.462 1.00 0.00 H new ATOM 0 HE22 GLN E 6 -11.262 7.566 -4.846 1.00 0.00 H new ATOM 361 N ILE E 7 -5.066 7.916 -1.791 1.00 0.00 N ATOM 362 CA ILE E 7 -4.528 9.127 -1.169 1.00 0.00 C ATOM 363 C ILE E 7 -4.617 10.301 -2.138 1.00 0.00 C ATOM 364 O ILE E 7 -4.677 11.426 -1.669 1.00 0.00 O ATOM 365 CB ILE E 7 -3.062 8.897 -0.776 1.00 0.00 C ATOM 366 CG1 ILE E 7 -2.931 7.562 -0.046 1.00 0.00 C ATOM 367 CG2 ILE E 7 -2.615 10.022 0.159 1.00 0.00 C ATOM 368 CD1 ILE E 7 -1.459 7.259 0.204 1.00 0.00 C ATOM 369 OXT ILE E 7 -4.631 10.061 -3.335 1.00 0.00 O ATOM 0 H ILE E 7 -4.607 7.648 -2.661 1.00 0.00 H new ATOM 0 HA ILE E 7 -5.114 9.356 -0.279 1.00 0.00 H new ATOM 0 HB ILE E 7 -2.442 8.885 -1.672 1.00 0.00 H new ATOM 0 HG12 ILE E 7 -3.471 7.599 0.900 1.00 0.00 H new ATOM 0 HG13 ILE E 7 -3.381 6.766 -0.639 1.00 0.00 H new ATOM 0 HG21 ILE E 7 -1.574 9.867 0.443 1.00 0.00 H new ATOM 0 HG22 ILE E 7 -2.713 10.980 -0.352 1.00 0.00 H new ATOM 0 HG23 ILE E 7 -3.239 10.022 1.053 1.00 0.00 H new ATOM 0 HD11 ILE E 7 -1.367 6.306 0.725 1.00 0.00 H new ATOM 0 HD12 ILE E 7 -0.932 7.204 -0.749 1.00 0.00 H new ATOM 0 HD13 ILE E 7 -1.023 8.050 0.815 1.00 0.00 H new ATOM 382 N ILE G 1 -1.781 -11.821 -4.145 1.00 0.00 N ATOM 383 CA ILE G 1 -1.853 -10.560 -3.356 1.00 0.00 C ATOM 384 C ILE G 1 -1.948 -9.368 -4.308 1.00 0.00 C ATOM 385 O ILE G 1 -1.048 -9.129 -5.125 1.00 0.00 O ATOM 386 CB ILE G 1 -0.595 -10.430 -2.492 1.00 0.00 C ATOM 387 CG1 ILE G 1 -0.537 -11.602 -1.506 1.00 0.00 C ATOM 388 CG2 ILE G 1 -0.646 -9.117 -1.713 1.00 0.00 C ATOM 389 CD1 ILE G 1 0.840 -11.643 -0.843 1.00 0.00 C ATOM 0 H1 ILE G 1 -2.447 -12.516 -3.751 1.00 0.00 H new ATOM 0 H2 ILE G 1 -2.031 -11.626 -5.135 1.00 0.00 H new ATOM 0 H3 ILE G 1 -0.815 -12.204 -4.101 1.00 0.00 H new ATOM 0 HA ILE G 1 -2.734 -10.580 -2.714 1.00 0.00 H new ATOM 0 HB ILE G 1 0.289 -10.441 -3.130 1.00 0.00 H new ATOM 0 HG12 ILE G 1 -1.314 -11.493 -0.749 1.00 0.00 H new ATOM 0 HG13 ILE G 1 -0.729 -12.540 -2.027 1.00 0.00 H new ATOM 0 HG21 ILE G 1 0.249 -9.024 -1.098 1.00 0.00 H new ATOM 0 HG22 ILE G 1 -0.695 -8.281 -2.411 1.00 0.00 H new ATOM 0 HG23 ILE G 1 -1.528 -9.108 -1.073 1.00 0.00 H new ATOM 0 HD11 ILE G 1 0.881 -12.476 -0.142 1.00 0.00 H new ATOM 0 HD12 ILE G 1 1.608 -11.772 -1.606 1.00 0.00 H new ATOM 0 HD13 ILE G 1 1.014 -10.710 -0.308 1.00 0.00 H new ATOM 403 N HIS G 2 -3.044 -8.614 -4.206 1.00 0.00 N ATOM 404 CA HIS G 2 -3.217 -7.437 -5.059 1.00 0.00 C ATOM 405 C HIS G 2 -3.121 -6.175 -4.205 1.00 0.00 C ATOM 406 O HIS G 2 -3.911 -5.993 -3.283 1.00 0.00 O ATOM 407 CB HIS G 2 -4.612 -7.486 -5.720 1.00 0.00 C ATOM 408 CG HIS G 2 -4.590 -8.286 -7.001 1.00 0.00 C ATOM 409 ND1 HIS G 2 -4.918 -7.721 -8.223 1.00 0.00 N ATOM 410 CD2 HIS G 2 -4.309 -9.606 -7.266 1.00 0.00 C ATOM 411 CE1 HIS G 2 -4.826 -8.684 -9.156 1.00 0.00 C ATOM 412 NE2 HIS G 2 -4.461 -9.853 -8.627 1.00 0.00 N ATOM 0 H HIS G 2 -3.810 -8.791 -3.556 1.00 0.00 H new ATOM 0 HA HIS G 2 -2.442 -7.427 -5.825 1.00 0.00 H new ATOM 0 HB2 HIS G 2 -5.329 -7.927 -5.027 1.00 0.00 H new ATOM 0 HB3 HIS G 2 -4.953 -6.472 -5.929 1.00 0.00 H new ATOM 0 HD2 HIS G 2 -4.015 -10.339 -6.530 1.00 0.00 H new ATOM 0 HE1 HIS G 2 -5.024 -8.530 -10.207 1.00 0.00 H new ATOM 0 HE2 HIS G 2 -4.323 -10.738 -9.115 1.00 0.00 H new ATOM 420 N VAL G 3 -2.196 -5.273 -4.556 1.00 0.00 N ATOM 421 CA VAL G 3 -2.075 -3.997 -3.841 1.00 0.00 C ATOM 422 C VAL G 3 -2.396 -2.852 -4.796 1.00 0.00 C ATOM 423 O VAL G 3 -1.793 -2.743 -5.869 1.00 0.00 O ATOM 424 CB VAL G 3 -0.667 -3.839 -3.268 1.00 0.00 C ATOM 425 CG1 VAL G 3 -0.397 -4.964 -2.265 1.00 0.00 C ATOM 426 CG2 VAL G 3 0.355 -3.909 -4.389 1.00 0.00 C ATOM 0 H VAL G 3 -1.530 -5.400 -5.318 1.00 0.00 H new ATOM 0 HA VAL G 3 -2.781 -3.980 -3.011 1.00 0.00 H new ATOM 0 HB VAL G 3 -0.588 -2.874 -2.768 1.00 0.00 H new ATOM 0 HG11 VAL G 3 0.607 -4.853 -1.855 1.00 0.00 H new ATOM 0 HG12 VAL G 3 -1.126 -4.914 -1.457 1.00 0.00 H new ATOM 0 HG13 VAL G 3 -0.479 -5.927 -2.768 1.00 0.00 H new ATOM 0 HG21 VAL G 3 1.357 -3.796 -3.975 1.00 0.00 H new ATOM 0 HG22 VAL G 3 0.277 -4.872 -4.893 1.00 0.00 H new ATOM 0 HG23 VAL G 3 0.165 -3.109 -5.105 1.00 0.00 H new ATOM 436 N HIS G 4 -3.336 -1.994 -4.405 1.00 0.00 N ATOM 437 CA HIS G 4 -3.717 -0.850 -5.245 1.00 0.00 C ATOM 438 C HIS G 4 -3.431 0.457 -4.508 1.00 0.00 C ATOM 439 O HIS G 4 -3.863 0.633 -3.371 1.00 0.00 O ATOM 440 CB HIS G 4 -5.229 -0.926 -5.580 1.00 0.00 C ATOM 441 CG HIS G 4 -5.606 -2.239 -6.270 1.00 0.00 C ATOM 442 ND1 HIS G 4 -6.827 -2.886 -6.031 1.00 0.00 N ATOM 443 CD2 HIS G 4 -4.957 -3.028 -7.203 1.00 0.00 C ATOM 444 CE1 HIS G 4 -6.862 -3.992 -6.796 1.00 0.00 C ATOM 445 NE2 HIS G 4 -5.752 -4.129 -7.527 1.00 0.00 N ATOM 0 H HIS G 4 -3.845 -2.063 -3.524 1.00 0.00 H new ATOM 0 HA HIS G 4 -3.136 -0.881 -6.167 1.00 0.00 H new ATOM 0 HB2 HIS G 4 -5.808 -0.821 -4.662 1.00 0.00 H new ATOM 0 HB3 HIS G 4 -5.499 -0.089 -6.224 1.00 0.00 H new ATOM 0 HD1 HIS G 4 -7.558 -2.574 -5.392 1.00 0.00 H new ATOM 0 HD2 HIS G 4 -3.981 -2.823 -7.618 1.00 0.00 H new ATOM 0 HE1 HIS G 4 -7.689 -4.686 -6.817 1.00 0.00 H new ATOM 452 N LEU G 5 -2.732 1.387 -5.164 1.00 0.00 N ATOM 453 CA LEU G 5 -2.433 2.686 -4.546 1.00 0.00 C ATOM 454 C LEU G 5 -2.665 3.813 -5.536 1.00 0.00 C ATOM 455 O LEU G 5 -2.132 3.794 -6.648 1.00 0.00 O ATOM 456 CB LEU G 5 -0.993 2.729 -4.060 1.00 0.00 C ATOM 457 CG LEU G 5 -0.730 1.551 -3.087 1.00 0.00 C ATOM 458 CD1 LEU G 5 -0.177 0.343 -3.861 1.00 0.00 C ATOM 459 CD2 LEU G 5 0.286 1.977 -2.021 1.00 0.00 C ATOM 0 H LEU G 5 -2.366 1.270 -6.109 1.00 0.00 H new ATOM 0 HA LEU G 5 -3.101 2.814 -3.694 1.00 0.00 H new ATOM 0 HB2 LEU G 5 -0.312 2.670 -4.909 1.00 0.00 H new ATOM 0 HB3 LEU G 5 -0.797 3.677 -3.559 1.00 0.00 H new ATOM 0 HG LEU G 5 -1.669 1.274 -2.607 1.00 0.00 H new ATOM 0 HD11 LEU G 5 0.005 -0.480 -3.170 1.00 0.00 H new ATOM 0 HD12 LEU G 5 -0.901 0.031 -4.614 1.00 0.00 H new ATOM 0 HD13 LEU G 5 0.757 0.620 -4.349 1.00 0.00 H new ATOM 0 HD21 LEU G 5 0.468 1.146 -1.339 1.00 0.00 H new ATOM 0 HD22 LEU G 5 1.221 2.262 -2.503 1.00 0.00 H new ATOM 0 HD23 LEU G 5 -0.108 2.826 -1.462 1.00 0.00 H new ATOM 471 N GLN G 6 -3.440 4.813 -5.114 1.00 0.00 N ATOM 472 CA GLN G 6 -3.722 5.966 -5.967 1.00 0.00 C ATOM 473 C GLN G 6 -3.284 7.242 -5.270 1.00 0.00 C ATOM 474 O GLN G 6 -3.903 7.668 -4.301 1.00 0.00 O ATOM 475 CB GLN G 6 -5.219 6.024 -6.282 1.00 0.00 C ATOM 476 CG GLN G 6 -5.499 7.207 -7.210 1.00 0.00 C ATOM 477 CD GLN G 6 -6.994 7.324 -7.474 1.00 0.00 C ATOM 478 OE1 GLN G 6 -7.793 7.454 -6.537 1.00 0.00 O ATOM 479 NE2 GLN G 6 -7.422 7.294 -8.709 1.00 0.00 N ATOM 0 H GLN G 6 -3.880 4.848 -4.194 1.00 0.00 H new ATOM 0 HA GLN G 6 -3.168 5.866 -6.900 1.00 0.00 H new ATOM 0 HB2 GLN G 6 -5.539 5.095 -6.753 1.00 0.00 H new ATOM 0 HB3 GLN G 6 -5.792 6.127 -5.360 1.00 0.00 H new ATOM 0 HG2 GLN G 6 -5.128 8.128 -6.760 1.00 0.00 H new ATOM 0 HG3 GLN G 6 -4.965 7.075 -8.151 1.00 0.00 H new ATOM 0 HE21 GLN G 6 -6.758 7.187 -9.476 1.00 0.00 H new ATOM 0 HE22 GLN G 6 -8.419 7.378 -8.905 1.00 0.00 H new ATOM 488 N ILE G 7 -2.212 7.849 -5.778 1.00 0.00 N ATOM 489 CA ILE G 7 -1.689 9.088 -5.201 1.00 0.00 C ATOM 490 C ILE G 7 -1.797 10.230 -6.205 1.00 0.00 C ATOM 491 O ILE G 7 -1.749 9.958 -7.395 1.00 0.00 O ATOM 492 CB ILE G 7 -0.224 8.892 -4.806 1.00 0.00 C ATOM 493 CG1 ILE G 7 -0.123 7.744 -3.800 1.00 0.00 C ATOM 494 CG2 ILE G 7 0.298 10.180 -4.158 1.00 0.00 C ATOM 495 CD1 ILE G 7 1.348 7.376 -3.589 1.00 0.00 C ATOM 496 OXT ILE G 7 -1.930 11.361 -5.771 1.00 0.00 O ATOM 0 H ILE G 7 -1.690 7.505 -6.584 1.00 0.00 H new ATOM 0 HA ILE G 7 -2.277 9.339 -4.318 1.00 0.00 H new ATOM 0 HB ILE G 7 0.369 8.658 -5.690 1.00 0.00 H new ATOM 0 HG12 ILE G 7 -0.575 8.036 -2.852 1.00 0.00 H new ATOM 0 HG13 ILE G 7 -0.677 6.878 -4.164 1.00 0.00 H new ATOM 0 HG21 ILE G 7 1.342 10.047 -3.874 1.00 0.00 H new ATOM 0 HG22 ILE G 7 0.217 11.003 -4.868 1.00 0.00 H new ATOM 0 HG23 ILE G 7 -0.293 10.407 -3.271 1.00 0.00 H new ATOM 0 HD11 ILE G 7 1.419 6.558 -2.872 1.00 0.00 H new ATOM 0 HD12 ILE G 7 1.785 7.066 -4.538 1.00 0.00 H new ATOM 0 HD13 ILE G 7 1.888 8.242 -3.206 1.00 0.00 H new ATOM 509 N ILE I 1 0.777 -11.718 -8.239 1.00 0.00 N ATOM 510 CA ILE I 1 0.824 -10.462 -7.439 1.00 0.00 C ATOM 511 C ILE I 1 0.695 -9.268 -8.379 1.00 0.00 C ATOM 512 O ILE I 1 1.478 -9.120 -9.325 1.00 0.00 O ATOM 513 CB ILE I 1 2.147 -10.389 -6.679 1.00 0.00 C ATOM 514 CG1 ILE I 1 2.238 -11.575 -5.712 1.00 0.00 C ATOM 515 CG2 ILE I 1 2.215 -9.082 -5.891 1.00 0.00 C ATOM 516 CD1 ILE I 1 3.648 -11.652 -5.128 1.00 0.00 C ATOM 0 H1 ILE I 1 0.379 -12.484 -7.659 1.00 0.00 H new ATOM 0 H2 ILE I 1 0.180 -11.573 -9.078 1.00 0.00 H new ATOM 0 H3 ILE I 1 1.739 -11.975 -8.539 1.00 0.00 H new ATOM 0 HA ILE I 1 0.003 -10.449 -6.722 1.00 0.00 H new ATOM 0 HB ILE I 1 2.976 -10.426 -7.385 1.00 0.00 H new ATOM 0 HG12 ILE I 1 1.507 -11.461 -4.911 1.00 0.00 H new ATOM 0 HG13 ILE I 1 1.998 -12.502 -6.233 1.00 0.00 H new ATOM 0 HG21 ILE I 1 3.160 -9.032 -5.350 1.00 0.00 H new ATOM 0 HG22 ILE I 1 2.146 -8.239 -6.578 1.00 0.00 H new ATOM 0 HG23 ILE I 1 1.388 -9.041 -5.182 1.00 0.00 H new ATOM 0 HD11 ILE I 1 3.712 -12.496 -4.441 1.00 0.00 H new ATOM 0 HD12 ILE I 1 4.369 -11.786 -5.934 1.00 0.00 H new ATOM 0 HD13 ILE I 1 3.871 -10.729 -4.592 1.00 0.00 H new ATOM 530 N HIS I 2 -0.297 -8.416 -8.116 1.00 0.00 N ATOM 531 CA HIS I 2 -0.518 -7.248 -8.942 1.00 0.00 C ATOM 532 C HIS I 2 -0.247 -5.984 -8.141 1.00 0.00 C ATOM 533 O HIS I 2 -0.869 -5.764 -7.105 1.00 0.00 O ATOM 534 CB HIS I 2 -1.996 -7.278 -9.367 1.00 0.00 C ATOM 535 CG HIS I 2 -2.414 -5.968 -9.976 1.00 0.00 C ATOM 536 ND1 HIS I 2 -3.705 -5.434 -9.832 1.00 0.00 N ATOM 537 CD2 HIS I 2 -1.729 -5.084 -10.752 1.00 0.00 C ATOM 538 CE1 HIS I 2 -3.739 -4.283 -10.512 1.00 0.00 C ATOM 539 NE2 HIS I 2 -2.572 -4.013 -11.093 1.00 0.00 N ATOM 0 H HIS I 2 -0.952 -8.519 -7.341 1.00 0.00 H new ATOM 0 HA HIS I 2 0.146 -7.253 -9.807 1.00 0.00 H new ATOM 0 HB2 HIS I 2 -2.154 -8.083 -10.085 1.00 0.00 H new ATOM 0 HB3 HIS I 2 -2.622 -7.496 -8.501 1.00 0.00 H new ATOM 0 HD1 HIS I 2 -4.475 -5.848 -9.306 1.00 0.00 H new ATOM 0 HD2 HIS I 2 -0.699 -5.189 -11.058 1.00 0.00 H new ATOM 0 HE1 HIS I 2 -4.610 -3.648 -10.582 1.00 0.00 H new ATOM 546 N VAL I 3 0.652 -5.132 -8.645 1.00 0.00 N ATOM 547 CA VAL I 3 0.945 -3.871 -7.967 1.00 0.00 C ATOM 548 C VAL I 3 0.583 -2.697 -8.852 1.00 0.00 C ATOM 549 O VAL I 3 1.130 -2.565 -9.944 1.00 0.00 O ATOM 550 CB VAL I 3 2.428 -3.798 -7.606 1.00 0.00 C ATOM 551 CG1 VAL I 3 2.721 -2.512 -6.795 1.00 0.00 C ATOM 552 CG2 VAL I 3 2.818 -5.037 -6.787 1.00 0.00 C ATOM 0 H VAL I 3 1.179 -5.290 -9.504 1.00 0.00 H new ATOM 0 HA VAL I 3 0.349 -3.826 -7.055 1.00 0.00 H new ATOM 0 HB VAL I 3 3.017 -3.771 -8.523 1.00 0.00 H new ATOM 0 HG11 VAL I 3 3.781 -2.473 -6.545 1.00 0.00 H new ATOM 0 HG12 VAL I 3 2.457 -1.638 -7.390 1.00 0.00 H new ATOM 0 HG13 VAL I 3 2.132 -2.518 -5.878 1.00 0.00 H new ATOM 0 HG21 VAL I 3 3.876 -4.985 -6.530 1.00 0.00 H new ATOM 0 HG22 VAL I 3 2.224 -5.071 -5.874 1.00 0.00 H new ATOM 0 HG23 VAL I 3 2.632 -5.935 -7.375 1.00 0.00 H new ATOM 562 N HIS I 4 -0.293 -1.812 -8.365 1.00 0.00 N ATOM 563 CA HIS I 4 -0.646 -0.636 -9.107 1.00 0.00 C ATOM 564 C HIS I 4 -0.264 0.622 -8.350 1.00 0.00 C ATOM 565 O HIS I 4 -0.597 0.780 -7.168 1.00 0.00 O ATOM 566 CB HIS I 4 -2.152 -0.684 -9.432 1.00 0.00 C ATOM 567 CG HIS I 4 -2.437 0.142 -10.658 1.00 0.00 C ATOM 568 ND1 HIS I 4 -2.801 -0.394 -11.913 1.00 0.00 N ATOM 569 CD2 HIS I 4 -2.424 1.482 -10.818 1.00 0.00 C ATOM 570 CE1 HIS I 4 -2.985 0.641 -12.745 1.00 0.00 C ATOM 571 NE2 HIS I 4 -2.772 1.808 -12.131 1.00 0.00 N ATOM 0 H HIS I 4 -0.759 -1.903 -7.462 1.00 0.00 H new ATOM 0 HA HIS I 4 -0.089 -0.611 -10.043 1.00 0.00 H new ATOM 0 HB2 HIS I 4 -2.465 -1.715 -9.596 1.00 0.00 H new ATOM 0 HB3 HIS I 4 -2.728 -0.307 -8.587 1.00 0.00 H new ATOM 0 HD2 HIS I 4 -2.181 2.196 -10.045 1.00 0.00 H new ATOM 0 HE1 HIS I 4 -3.270 0.543 -13.782 1.00 0.00 H new ATOM 0 HE2 HIS I 4 -2.848 2.741 -12.536 1.00 0.00 H new ATOM 579 N LEU I 5 0.429 1.527 -9.052 1.00 0.00 N ATOM 580 CA LEU I 5 0.853 2.778 -8.454 1.00 0.00 C ATOM 581 C LEU I 5 0.581 3.940 -9.387 1.00 0.00 C ATOM 582 O LEU I 5 1.293 4.138 -10.365 1.00 0.00 O ATOM 583 CB LEU I 5 2.372 2.713 -8.116 1.00 0.00 C ATOM 584 CG LEU I 5 2.628 3.217 -6.685 1.00 0.00 C ATOM 585 CD1 LEU I 5 1.861 4.540 -6.423 1.00 0.00 C ATOM 586 CD2 LEU I 5 2.193 2.125 -5.683 1.00 0.00 C ATOM 0 H LEU I 5 0.702 1.409 -10.028 1.00 0.00 H new ATOM 0 HA LEU I 5 0.284 2.933 -7.537 1.00 0.00 H new ATOM 0 HB2 LEU I 5 2.729 1.688 -8.216 1.00 0.00 H new ATOM 0 HB3 LEU I 5 2.935 3.318 -8.827 1.00 0.00 H new ATOM 0 HG LEU I 5 3.691 3.422 -6.558 1.00 0.00 H new ATOM 0 HD11 LEU I 5 2.056 4.878 -5.405 1.00 0.00 H new ATOM 0 HD12 LEU I 5 2.195 5.300 -7.129 1.00 0.00 H new ATOM 0 HD13 LEU I 5 0.792 4.372 -6.551 1.00 0.00 H new ATOM 0 HD21 LEU I 5 2.371 2.473 -4.666 1.00 0.00 H new ATOM 0 HD22 LEU I 5 1.132 1.913 -5.814 1.00 0.00 H new ATOM 0 HD23 LEU I 5 2.769 1.217 -5.862 1.00 0.00 H new ATOM 598 N GLN I 6 -0.426 4.745 -9.051 1.00 0.00 N ATOM 599 CA GLN I 6 -0.752 5.914 -9.867 1.00 0.00 C ATOM 600 C GLN I 6 -0.314 7.185 -9.158 1.00 0.00 C ATOM 601 O GLN I 6 -0.843 7.522 -8.107 1.00 0.00 O ATOM 602 CB GLN I 6 -2.256 5.942 -10.126 1.00 0.00 C ATOM 603 CG GLN I 6 -2.575 7.057 -11.116 1.00 0.00 C ATOM 604 CD GLN I 6 -4.078 7.146 -11.348 1.00 0.00 C ATOM 605 OE1 GLN I 6 -4.871 7.063 -10.409 1.00 0.00 O ATOM 606 NE2 GLN I 6 -4.523 7.304 -12.564 1.00 0.00 N ATOM 0 H GLN I 6 -1.022 4.613 -8.233 1.00 0.00 H new ATOM 0 HA GLN I 6 -0.224 5.852 -10.819 1.00 0.00 H new ATOM 0 HB2 GLN I 6 -2.586 4.982 -10.523 1.00 0.00 H new ATOM 0 HB3 GLN I 6 -2.795 6.104 -9.192 1.00 0.00 H new ATOM 0 HG2 GLN I 6 -2.202 8.008 -10.735 1.00 0.00 H new ATOM 0 HG3 GLN I 6 -2.065 6.870 -12.061 1.00 0.00 H new ATOM 0 HE21 GLN I 6 -3.867 7.373 -13.342 1.00 0.00 H new ATOM 0 HE22 GLN I 6 -5.527 7.359 -12.737 1.00 0.00 H new ATOM 615 N ILE I 7 0.667 7.879 -9.739 1.00 0.00 N ATOM 616 CA ILE I 7 1.187 9.113 -9.143 1.00 0.00 C ATOM 617 C ILE I 7 1.049 10.271 -10.123 1.00 0.00 C ATOM 618 O ILE I 7 1.003 11.402 -9.669 1.00 0.00 O ATOM 619 CB ILE I 7 2.664 8.926 -8.775 1.00 0.00 C ATOM 620 CG1 ILE I 7 2.840 7.609 -8.019 1.00 0.00 C ATOM 621 CG2 ILE I 7 3.103 10.078 -7.873 1.00 0.00 C ATOM 622 CD1 ILE I 7 4.323 7.359 -7.770 1.00 0.00 C ATOM 623 OXT ILE I 7 0.984 10.012 -11.315 1.00 0.00 O ATOM 0 H ILE I 7 1.115 7.611 -10.615 1.00 0.00 H new ATOM 0 HA ILE I 7 0.613 9.339 -8.245 1.00 0.00 H new ATOM 0 HB ILE I 7 3.266 8.910 -9.683 1.00 0.00 H new ATOM 0 HG12 ILE I 7 2.303 7.647 -7.071 1.00 0.00 H new ATOM 0 HG13 ILE I 7 2.414 6.787 -8.595 1.00 0.00 H new ATOM 0 HG21 ILE I 7 4.152 9.952 -7.607 1.00 0.00 H new ATOM 0 HG22 ILE I 7 2.973 11.023 -8.401 1.00 0.00 H new ATOM 0 HG23 ILE I 7 2.497 10.082 -6.967 1.00 0.00 H new ATOM 0 HD11 ILE I 7 4.448 6.420 -7.231 1.00 0.00 H new ATOM 0 HD12 ILE I 7 4.848 7.303 -8.724 1.00 0.00 H new ATOM 0 HD13 ILE I 7 4.735 8.175 -7.177 1.00 0.00 H new ATOM 636 N ILE K 1 4.013 -11.716 -11.908 1.00 0.00 N ATOM 637 CA ILE K 1 4.030 -10.451 -11.120 1.00 0.00 C ATOM 638 C ILE K 1 3.934 -9.264 -12.070 1.00 0.00 C ATOM 639 O ILE K 1 4.837 -9.034 -12.874 1.00 0.00 O ATOM 640 CB ILE K 1 5.335 -10.369 -10.324 1.00 0.00 C ATOM 641 CG1 ILE K 1 5.414 -11.555 -9.359 1.00 0.00 C ATOM 642 CG2 ILE K 1 5.364 -9.064 -9.526 1.00 0.00 C ATOM 643 CD1 ILE K 1 6.816 -11.631 -8.755 1.00 0.00 C ATOM 0 H1 ILE K 1 3.611 -12.481 -11.329 1.00 0.00 H new ATOM 0 H2 ILE K 1 3.432 -11.586 -12.761 1.00 0.00 H new ATOM 0 H3 ILE K 1 4.984 -11.965 -12.185 1.00 0.00 H new ATOM 0 HA ILE K 1 3.184 -10.434 -10.433 1.00 0.00 H new ATOM 0 HB ILE K 1 6.183 -10.396 -11.009 1.00 0.00 H new ATOM 0 HG12 ILE K 1 4.672 -11.444 -8.568 1.00 0.00 H new ATOM 0 HG13 ILE K 1 5.183 -12.481 -9.885 1.00 0.00 H new ATOM 0 HG21 ILE K 1 6.293 -9.005 -8.959 1.00 0.00 H new ATOM 0 HG22 ILE K 1 5.302 -8.218 -10.210 1.00 0.00 H new ATOM 0 HG23 ILE K 1 4.518 -9.038 -8.840 1.00 0.00 H new ATOM 0 HD11 ILE K 1 6.871 -12.476 -8.068 1.00 0.00 H new ATOM 0 HD12 ILE K 1 7.549 -11.762 -9.551 1.00 0.00 H new ATOM 0 HD13 ILE K 1 7.030 -10.709 -8.214 1.00 0.00 H new ATOM 657 N HIS K 2 2.844 -8.499 -11.968 1.00 0.00 N ATOM 658 CA HIS K 2 2.668 -7.321 -12.826 1.00 0.00 C ATOM 659 C HIS K 2 2.796 -6.058 -11.985 1.00 0.00 C ATOM 660 O HIS K 2 2.051 -5.871 -11.027 1.00 0.00 O ATOM 661 CB HIS K 2 1.258 -7.342 -13.459 1.00 0.00 C ATOM 662 CG HIS K 2 1.242 -8.136 -14.740 1.00 0.00 C ATOM 663 ND1 HIS K 2 0.929 -7.554 -15.962 1.00 0.00 N ATOM 664 CD2 HIS K 2 1.449 -9.468 -15.003 1.00 0.00 C ATOM 665 CE1 HIS K 2 0.955 -8.527 -16.891 1.00 0.00 C ATOM 666 NE2 HIS K 2 1.267 -9.712 -16.359 1.00 0.00 N ATOM 0 H HIS K 2 2.081 -8.668 -11.312 1.00 0.00 H new ATOM 0 HA HIS K 2 3.428 -7.335 -13.607 1.00 0.00 H new ATOM 0 HB2 HIS K 2 0.547 -7.772 -12.754 1.00 0.00 H new ATOM 0 HB3 HIS K 2 0.932 -6.321 -13.658 1.00 0.00 H new ATOM 0 HD2 HIS K 2 1.713 -10.213 -14.267 1.00 0.00 H new ATOM 0 HE1 HIS K 2 0.749 -8.369 -17.939 1.00 0.00 H new ATOM 0 HE2 HIS K 2 1.353 -10.605 -16.844 1.00 0.00 H new ATOM 674 N VAL K 3 3.705 -5.166 -12.383 1.00 0.00 N ATOM 675 CA VAL K 3 3.876 -3.892 -11.684 1.00 0.00 C ATOM 676 C VAL K 3 3.507 -2.749 -12.615 1.00 0.00 C ATOM 677 O VAL K 3 4.052 -2.645 -13.714 1.00 0.00 O ATOM 678 CB VAL K 3 5.322 -3.743 -11.213 1.00 0.00 C ATOM 679 CG1 VAL K 3 5.644 -4.858 -10.214 1.00 0.00 C ATOM 680 CG2 VAL K 3 6.269 -3.841 -12.412 1.00 0.00 C ATOM 0 H VAL K 3 4.329 -5.301 -13.179 1.00 0.00 H new ATOM 0 HA VAL K 3 3.222 -3.869 -10.812 1.00 0.00 H new ATOM 0 HB VAL K 3 5.450 -2.772 -10.734 1.00 0.00 H new ATOM 0 HG11 VAL K 3 6.675 -4.756 -9.875 1.00 0.00 H new ATOM 0 HG12 VAL K 3 4.972 -4.786 -9.359 1.00 0.00 H new ATOM 0 HG13 VAL K 3 5.515 -5.827 -10.696 1.00 0.00 H new ATOM 0 HG21 VAL K 3 7.299 -3.734 -12.072 1.00 0.00 H new ATOM 0 HG22 VAL K 3 6.145 -4.810 -12.895 1.00 0.00 H new ATOM 0 HG23 VAL K 3 6.038 -3.048 -13.124 1.00 0.00 H new ATOM 690 N HIS K 4 2.591 -1.877 -12.179 1.00 0.00 N ATOM 691 CA HIS K 4 2.178 -0.726 -13.001 1.00 0.00 C ATOM 692 C HIS K 4 2.516 0.576 -12.282 1.00 0.00 C ATOM 693 O HIS K 4 2.152 0.756 -11.121 1.00 0.00 O ATOM 694 CB HIS K 4 0.653 -0.780 -13.281 1.00 0.00 C ATOM 695 CG HIS K 4 0.243 -2.078 -13.979 1.00 0.00 C ATOM 696 ND1 HIS K 4 -0.972 -2.727 -13.714 1.00 0.00 N ATOM 697 CD2 HIS K 4 0.861 -2.851 -14.941 1.00 0.00 C ATOM 698 CE1 HIS K 4 -1.030 -3.817 -14.496 1.00 0.00 C ATOM 699 NE2 HIS K 4 0.057 -3.944 -15.262 1.00 0.00 N ATOM 0 H HIS K 4 2.125 -1.941 -11.274 1.00 0.00 H new ATOM 0 HA HIS K 4 2.715 -0.768 -13.949 1.00 0.00 H new ATOM 0 HB2 HIS K 4 0.109 -0.686 -12.341 1.00 0.00 H new ATOM 0 HB3 HIS K 4 0.368 0.070 -13.901 1.00 0.00 H new ATOM 0 HD2 HIS K 4 1.825 -2.640 -15.380 1.00 0.00 H new ATOM 0 HE1 HIS K 4 -1.858 -4.510 -14.505 1.00 0.00 H new ATOM 0 HE2 HIS K 4 0.256 -4.682 -15.937 1.00 0.00 H new ATOM 706 N LEU K 5 3.186 1.496 -12.976 1.00 0.00 N ATOM 707 CA LEU K 5 3.540 2.789 -12.383 1.00 0.00 C ATOM 708 C LEU K 5 3.270 3.914 -13.361 1.00 0.00 C ATOM 709 O LEU K 5 3.746 3.885 -14.491 1.00 0.00 O ATOM 710 CB LEU K 5 5.013 2.807 -11.981 1.00 0.00 C ATOM 711 CG LEU K 5 5.301 1.633 -11.013 1.00 0.00 C ATOM 712 CD1 LEU K 5 5.796 0.413 -11.804 1.00 0.00 C ATOM 713 CD2 LEU K 5 6.372 2.050 -10.000 1.00 0.00 C ATOM 0 H LEU K 5 3.493 1.374 -13.941 1.00 0.00 H new ATOM 0 HA LEU K 5 2.925 2.933 -11.495 1.00 0.00 H new ATOM 0 HB2 LEU K 5 5.643 2.725 -12.867 1.00 0.00 H new ATOM 0 HB3 LEU K 5 5.258 3.755 -11.502 1.00 0.00 H new ATOM 0 HG LEU K 5 4.383 1.374 -10.487 1.00 0.00 H new ATOM 0 HD11 LEU K 5 5.997 -0.409 -11.117 1.00 0.00 H new ATOM 0 HD12 LEU K 5 5.032 0.109 -12.520 1.00 0.00 H new ATOM 0 HD13 LEU K 5 6.711 0.672 -12.337 1.00 0.00 H new ATOM 0 HD21 LEU K 5 6.572 1.222 -9.320 1.00 0.00 H new ATOM 0 HD22 LEU K 5 7.288 2.316 -10.528 1.00 0.00 H new ATOM 0 HD23 LEU K 5 6.019 2.909 -9.430 1.00 0.00 H new ATOM 725 N GLN K 6 2.521 4.922 -12.914 1.00 0.00 N ATOM 726 CA GLN K 6 2.211 6.073 -13.765 1.00 0.00 C ATOM 727 C GLN K 6 2.696 7.348 -13.098 1.00 0.00 C ATOM 728 O GLN K 6 2.113 7.802 -12.119 1.00 0.00 O ATOM 729 CB GLN K 6 0.701 6.147 -14.002 1.00 0.00 C ATOM 730 CG GLN K 6 0.396 7.274 -14.993 1.00 0.00 C ATOM 731 CD GLN K 6 -1.113 7.420 -15.181 1.00 0.00 C ATOM 732 OE1 GLN K 6 -1.871 7.487 -14.209 1.00 0.00 O ATOM 733 NE2 GLN K 6 -1.600 7.467 -16.385 1.00 0.00 N ATOM 0 H GLN K 6 2.121 4.966 -11.977 1.00 0.00 H new ATOM 0 HA GLN K 6 2.716 5.960 -14.724 1.00 0.00 H new ATOM 0 HB2 GLN K 6 0.336 5.197 -14.392 1.00 0.00 H new ATOM 0 HB3 GLN K 6 0.182 6.326 -13.060 1.00 0.00 H new ATOM 0 HG2 GLN K 6 0.816 8.211 -14.629 1.00 0.00 H new ATOM 0 HG3 GLN K 6 0.870 7.063 -15.952 1.00 0.00 H new ATOM 0 HE21 GLN K 6 -0.976 7.412 -17.190 1.00 0.00 H new ATOM 0 HE22 GLN K 6 -2.606 7.559 -16.525 1.00 0.00 H new ATOM 742 N ILE K 7 3.771 7.922 -13.639 1.00 0.00 N ATOM 743 CA ILE K 7 4.337 9.156 -13.088 1.00 0.00 C ATOM 744 C ILE K 7 4.196 10.297 -14.089 1.00 0.00 C ATOM 745 O ILE K 7 4.178 10.023 -15.278 1.00 0.00 O ATOM 746 CB ILE K 7 5.819 8.940 -12.767 1.00 0.00 C ATOM 747 CG1 ILE K 7 5.958 7.791 -11.766 1.00 0.00 C ATOM 748 CG2 ILE K 7 6.394 10.218 -12.148 1.00 0.00 C ATOM 749 CD1 ILE K 7 7.432 7.402 -11.632 1.00 0.00 C ATOM 750 OXT ILE K 7 4.102 11.432 -13.651 1.00 0.00 O ATOM 0 H ILE K 7 4.265 7.556 -14.453 1.00 0.00 H new ATOM 0 HA ILE K 7 3.797 9.416 -12.178 1.00 0.00 H new ATOM 0 HB ILE K 7 6.360 8.698 -13.682 1.00 0.00 H new ATOM 0 HG12 ILE K 7 5.561 8.090 -10.796 1.00 0.00 H new ATOM 0 HG13 ILE K 7 5.374 6.933 -12.099 1.00 0.00 H new ATOM 0 HG21 ILE K 7 7.449 10.068 -11.918 1.00 0.00 H new ATOM 0 HG22 ILE K 7 6.290 11.043 -12.853 1.00 0.00 H new ATOM 0 HG23 ILE K 7 5.853 10.454 -11.232 1.00 0.00 H new ATOM 0 HD11 ILE K 7 7.529 6.584 -10.919 1.00 0.00 H new ATOM 0 HD12 ILE K 7 7.814 7.085 -12.602 1.00 0.00 H new ATOM 0 HD13 ILE K 7 8.004 8.260 -11.279 1.00 0.00 H new ATOM 763 N ILE O 1 -3.964 11.417 12.817 1.00 0.00 N ATOM 764 CA ILE O 1 -4.725 10.162 13.082 1.00 0.00 C ATOM 765 C ILE O 1 -3.821 8.960 12.814 1.00 0.00 C ATOM 766 O ILE O 1 -3.259 8.821 11.725 1.00 0.00 O ATOM 767 CB ILE O 1 -5.952 10.108 12.168 1.00 0.00 C ATOM 768 CG1 ILE O 1 -6.864 11.299 12.480 1.00 0.00 C ATOM 769 CG2 ILE O 1 -6.715 8.807 12.418 1.00 0.00 C ATOM 770 CD1 ILE O 1 -7.944 11.407 11.405 1.00 0.00 C ATOM 0 H1 ILE O 1 -4.354 12.188 13.396 1.00 0.00 H new ATOM 0 H2 ILE O 1 -2.963 11.274 13.060 1.00 0.00 H new ATOM 0 H3 ILE O 1 -4.044 11.665 11.810 1.00 0.00 H new ATOM 0 HA ILE O 1 -5.054 10.141 14.121 1.00 0.00 H new ATOM 0 HB ILE O 1 -5.635 10.149 11.126 1.00 0.00 H new ATOM 0 HG12 ILE O 1 -7.323 11.173 13.461 1.00 0.00 H new ATOM 0 HG13 ILE O 1 -6.280 12.218 12.518 1.00 0.00 H new ATOM 0 HG21 ILE O 1 -7.589 8.767 11.768 1.00 0.00 H new ATOM 0 HG22 ILE O 1 -6.066 7.958 12.205 1.00 0.00 H new ATOM 0 HG23 ILE O 1 -7.035 8.767 13.459 1.00 0.00 H new ATOM 0 HD11 ILE O 1 -8.594 12.254 11.626 1.00 0.00 H new ATOM 0 HD12 ILE O 1 -7.475 11.553 10.432 1.00 0.00 H new ATOM 0 HD13 ILE O 1 -8.535 10.491 11.389 1.00 0.00 H new ATOM 784 N HIS O 2 -3.689 8.093 13.818 1.00 0.00 N ATOM 785 CA HIS O 2 -2.872 6.914 13.694 1.00 0.00 C ATOM 786 C HIS O 2 -3.759 5.676 13.742 1.00 0.00 C ATOM 787 O HIS O 2 -4.486 5.469 14.711 1.00 0.00 O ATOM 788 CB HIS O 2 -1.907 6.927 14.893 1.00 0.00 C ATOM 789 CG HIS O 2 -1.248 5.591 15.086 1.00 0.00 C ATOM 790 ND1 HIS O 2 -0.879 5.111 16.349 1.00 0.00 N ATOM 791 CD2 HIS O 2 -0.851 4.646 14.192 1.00 0.00 C ATOM 792 CE1 HIS O 2 -0.286 3.924 16.168 1.00 0.00 C ATOM 793 NE2 HIS O 2 -0.236 3.587 14.880 1.00 0.00 N ATOM 0 H HIS O 2 -4.145 8.197 14.725 1.00 0.00 H new ATOM 0 HA HIS O 2 -2.323 6.898 12.752 1.00 0.00 H new ATOM 0 HB2 HIS O 2 -1.145 7.691 14.739 1.00 0.00 H new ATOM 0 HB3 HIS O 2 -2.452 7.199 15.797 1.00 0.00 H new ATOM 0 HD1 HIS O 2 -1.033 5.579 17.242 1.00 0.00 H new ATOM 0 HD2 HIS O 2 -0.987 4.701 13.122 1.00 0.00 H new ATOM 0 HE1 HIS O 2 0.104 3.314 16.969 1.00 0.00 H new ATOM 800 N VAL O 3 -3.673 4.839 12.708 1.00 0.00 N ATOM 801 CA VAL O 3 -4.457 3.604 12.671 1.00 0.00 C ATOM 802 C VAL O 3 -3.523 2.408 12.644 1.00 0.00 C ATOM 803 O VAL O 3 -2.717 2.278 11.724 1.00 0.00 O ATOM 804 CB VAL O 3 -5.345 3.588 11.427 1.00 0.00 C ATOM 805 CG1 VAL O 3 -6.227 2.329 11.425 1.00 0.00 C ATOM 806 CG2 VAL O 3 -6.231 4.843 11.413 1.00 0.00 C ATOM 0 H VAL O 3 -3.077 4.990 11.895 1.00 0.00 H new ATOM 0 HA VAL O 3 -5.086 3.554 13.560 1.00 0.00 H new ATOM 0 HB VAL O 3 -4.715 3.579 10.538 1.00 0.00 H new ATOM 0 HG11 VAL O 3 -6.856 2.327 10.535 1.00 0.00 H new ATOM 0 HG12 VAL O 3 -5.594 1.441 11.424 1.00 0.00 H new ATOM 0 HG13 VAL O 3 -6.857 2.325 12.314 1.00 0.00 H new ATOM 0 HG21 VAL O 3 -6.864 4.831 10.526 1.00 0.00 H new ATOM 0 HG22 VAL O 3 -6.857 4.857 12.305 1.00 0.00 H new ATOM 0 HG23 VAL O 3 -5.601 5.733 11.398 1.00 0.00 H new ATOM 816 N HIS O 4 -3.659 1.507 13.617 1.00 0.00 N ATOM 817 CA HIS O 4 -2.860 0.314 13.650 1.00 0.00 C ATOM 818 C HIS O 4 -3.730 -0.926 13.553 1.00 0.00 C ATOM 819 O HIS O 4 -4.715 -1.065 14.285 1.00 0.00 O ATOM 820 CB HIS O 4 -2.009 0.324 14.935 1.00 0.00 C ATOM 821 CG HIS O 4 -0.778 -0.521 14.745 1.00 0.00 C ATOM 822 ND1 HIS O 4 0.532 -0.005 14.669 1.00 0.00 N ATOM 823 CD2 HIS O 4 -0.659 -1.860 14.620 1.00 0.00 C ATOM 824 CE1 HIS O 4 1.357 -1.050 14.506 1.00 0.00 C ATOM 825 NE2 HIS O 4 0.687 -2.206 14.472 1.00 0.00 N ATOM 0 H HIS O 4 -4.321 1.594 14.388 1.00 0.00 H new ATOM 0 HA HIS O 4 -2.193 0.291 12.788 1.00 0.00 H new ATOM 0 HB2 HIS O 4 -1.723 1.346 15.184 1.00 0.00 H new ATOM 0 HB3 HIS O 4 -2.595 -0.056 15.772 1.00 0.00 H new ATOM 0 HD2 HIS O 4 -1.482 -2.560 14.633 1.00 0.00 H new ATOM 0 HE1 HIS O 4 2.430 -0.968 14.414 1.00 0.00 H new ATOM 0 HE2 HIS O 4 1.076 -3.143 14.361 1.00 0.00 H new ATOM 833 N LEU O 5 -3.349 -1.835 12.646 1.00 0.00 N ATOM 834 CA LEU O 5 -4.090 -3.068 12.458 1.00 0.00 C ATOM 835 C LEU O 5 -3.146 -4.249 12.345 1.00 0.00 C ATOM 836 O LEU O 5 -2.467 -4.410 11.341 1.00 0.00 O ATOM 837 CB LEU O 5 -4.976 -2.964 11.184 1.00 0.00 C ATOM 838 CG LEU O 5 -6.409 -3.440 11.480 1.00 0.00 C ATOM 839 CD1 LEU O 5 -6.394 -4.783 12.250 1.00 0.00 C ATOM 840 CD2 LEU O 5 -7.142 -2.358 12.294 1.00 0.00 C ATOM 0 H LEU O 5 -2.536 -1.732 12.039 1.00 0.00 H new ATOM 0 HA LEU O 5 -4.730 -3.225 13.326 1.00 0.00 H new ATOM 0 HB2 LEU O 5 -4.995 -1.933 10.831 1.00 0.00 H new ATOM 0 HB3 LEU O 5 -4.545 -3.567 10.385 1.00 0.00 H new ATOM 0 HG LEU O 5 -6.934 -3.603 10.539 1.00 0.00 H new ATOM 0 HD11 LEU O 5 -7.418 -5.100 12.448 1.00 0.00 H new ATOM 0 HD12 LEU O 5 -5.889 -5.541 11.650 1.00 0.00 H new ATOM 0 HD13 LEU O 5 -5.864 -4.655 13.194 1.00 0.00 H new ATOM 0 HD21 LEU O 5 -8.158 -2.689 12.507 1.00 0.00 H new ATOM 0 HD22 LEU O 5 -6.612 -2.186 13.231 1.00 0.00 H new ATOM 0 HD23 LEU O 5 -7.175 -1.431 11.721 1.00 0.00 H new ATOM 852 N GLN O 6 -3.144 -5.103 13.366 1.00 0.00 N ATOM 853 CA GLN O 6 -2.293 -6.290 13.350 1.00 0.00 C ATOM 854 C GLN O 6 -3.147 -7.537 13.156 1.00 0.00 C ATOM 855 O GLN O 6 -3.913 -7.912 14.039 1.00 0.00 O ATOM 856 CB GLN O 6 -1.528 -6.383 14.666 1.00 0.00 C ATOM 857 CG GLN O 6 -0.513 -7.522 14.580 1.00 0.00 C ATOM 858 CD GLN O 6 0.199 -7.686 15.914 1.00 0.00 C ATOM 859 OE1 GLN O 6 -0.436 -7.650 16.967 1.00 0.00 O ATOM 860 NE2 GLN O 6 1.492 -7.866 15.932 1.00 0.00 N ATOM 0 H GLN O 6 -3.714 -4.998 14.205 1.00 0.00 H new ATOM 0 HA GLN O 6 -1.584 -6.216 12.525 1.00 0.00 H new ATOM 0 HB2 GLN O 6 -1.019 -5.441 14.871 1.00 0.00 H new ATOM 0 HB3 GLN O 6 -2.219 -6.558 15.490 1.00 0.00 H new ATOM 0 HG2 GLN O 6 -1.017 -8.450 14.311 1.00 0.00 H new ATOM 0 HG3 GLN O 6 0.213 -7.315 13.794 1.00 0.00 H new ATOM 0 HE21 GLN O 6 2.015 -7.895 15.057 1.00 0.00 H new ATOM 0 HE22 GLN O 6 1.979 -7.977 16.821 1.00 0.00 H new ATOM 869 N ILE O 7 -3.012 -8.168 11.988 1.00 0.00 N ATOM 870 CA ILE O 7 -3.788 -9.370 11.675 1.00 0.00 C ATOM 871 C ILE O 7 -2.855 -10.548 11.420 1.00 0.00 C ATOM 872 O ILE O 7 -3.257 -11.666 11.695 1.00 0.00 O ATOM 873 CB ILE O 7 -4.649 -9.117 10.430 1.00 0.00 C ATOM 874 CG1 ILE O 7 -5.373 -7.780 10.569 1.00 0.00 C ATOM 875 CG2 ILE O 7 -5.685 -10.236 10.303 1.00 0.00 C ATOM 876 CD1 ILE O 7 -6.104 -7.460 9.270 1.00 0.00 C ATOM 877 OXT ILE O 7 -1.749 -10.317 10.957 1.00 0.00 O ATOM 0 H ILE O 7 -2.377 -7.869 11.248 1.00 0.00 H new ATOM 0 HA ILE O 7 -4.432 -9.606 12.522 1.00 0.00 H new ATOM 0 HB ILE O 7 -4.012 -9.095 9.546 1.00 0.00 H new ATOM 0 HG12 ILE O 7 -6.081 -7.822 11.396 1.00 0.00 H new ATOM 0 HG13 ILE O 7 -4.659 -6.990 10.801 1.00 0.00 H new ATOM 0 HG21 ILE O 7 -6.301 -10.063 9.420 1.00 0.00 H new ATOM 0 HG22 ILE O 7 -5.175 -11.195 10.208 1.00 0.00 H new ATOM 0 HG23 ILE O 7 -6.318 -10.248 11.190 1.00 0.00 H new ATOM 0 HD11 ILE O 7 -6.621 -6.506 9.369 1.00 0.00 H new ATOM 0 HD12 ILE O 7 -5.385 -7.400 8.453 1.00 0.00 H new ATOM 0 HD13 ILE O 7 -6.830 -8.245 9.058 1.00 0.00 H new ATOM 890 N ILE Q 1 -1.385 11.638 8.563 1.00 0.00 N ATOM 891 CA ILE Q 1 -2.131 10.391 8.894 1.00 0.00 C ATOM 892 C ILE Q 1 -1.214 9.189 8.689 1.00 0.00 C ATOM 893 O ILE Q 1 -0.709 8.957 7.581 1.00 0.00 O ATOM 894 CB ILE Q 1 -3.354 10.272 7.976 1.00 0.00 C ATOM 895 CG1 ILE Q 1 -4.293 11.456 8.239 1.00 0.00 C ATOM 896 CG2 ILE Q 1 -4.090 8.968 8.274 1.00 0.00 C ATOM 897 CD1 ILE Q 1 -5.366 11.506 7.152 1.00 0.00 C ATOM 0 H1 ILE Q 1 -1.761 12.427 9.126 1.00 0.00 H new ATOM 0 H2 ILE Q 1 -0.377 11.507 8.781 1.00 0.00 H new ATOM 0 H3 ILE Q 1 -1.496 11.851 7.551 1.00 0.00 H new ATOM 0 HA ILE Q 1 -2.462 10.422 9.932 1.00 0.00 H new ATOM 0 HB ILE Q 1 -3.034 10.277 6.934 1.00 0.00 H new ATOM 0 HG12 ILE Q 1 -4.758 11.354 9.220 1.00 0.00 H new ATOM 0 HG13 ILE Q 1 -3.727 12.388 8.250 1.00 0.00 H new ATOM 0 HG21 ILE Q 1 -4.959 8.883 7.622 1.00 0.00 H new ATOM 0 HG22 ILE Q 1 -3.422 8.125 8.099 1.00 0.00 H new ATOM 0 HG23 ILE Q 1 -4.415 8.963 9.314 1.00 0.00 H new ATOM 0 HD11 ILE Q 1 -6.034 12.347 7.338 1.00 0.00 H new ATOM 0 HD12 ILE Q 1 -4.892 11.628 6.178 1.00 0.00 H new ATOM 0 HD13 ILE Q 1 -5.939 10.579 7.163 1.00 0.00 H new ATOM 911 N HIS Q 2 -0.997 8.411 9.753 1.00 0.00 N ATOM 912 CA HIS Q 2 -0.148 7.221 9.636 1.00 0.00 C ATOM 913 C HIS Q 2 -1.014 5.970 9.775 1.00 0.00 C ATOM 914 O HIS Q 2 -1.656 5.771 10.803 1.00 0.00 O ATOM 915 CB HIS Q 2 0.904 7.229 10.771 1.00 0.00 C ATOM 916 CG HIS Q 2 2.130 8.022 10.383 1.00 0.00 C ATOM 917 ND1 HIS Q 2 3.388 7.441 10.315 1.00 0.00 N ATOM 918 CD2 HIS Q 2 2.317 9.349 10.067 1.00 0.00 C ATOM 919 CE1 HIS Q 2 4.263 8.403 9.971 1.00 0.00 C ATOM 920 NE2 HIS Q 2 3.664 9.584 9.808 1.00 0.00 N ATOM 0 H HIS Q 2 -1.385 8.576 10.682 1.00 0.00 H new ATOM 0 HA HIS Q 2 0.351 7.223 8.667 1.00 0.00 H new ATOM 0 HB2 HIS Q 2 0.464 7.655 11.673 1.00 0.00 H new ATOM 0 HB3 HIS Q 2 1.192 6.205 11.009 1.00 0.00 H new ATOM 0 HD2 HIS Q 2 1.537 10.095 10.026 1.00 0.00 H new ATOM 0 HE1 HIS Q 2 5.323 8.239 9.842 1.00 0.00 H new ATOM 0 HE2 HIS Q 2 4.100 10.469 9.549 1.00 0.00 H new ATOM 928 N VAL Q 3 -0.977 5.096 8.762 1.00 0.00 N ATOM 929 CA VAL Q 3 -1.718 3.831 8.824 1.00 0.00 C ATOM 930 C VAL Q 3 -0.735 2.666 8.796 1.00 0.00 C ATOM 931 O VAL Q 3 0.099 2.565 7.889 1.00 0.00 O ATOM 932 CB VAL Q 3 -2.699 3.732 7.657 1.00 0.00 C ATOM 933 CG1 VAL Q 3 -3.714 4.875 7.750 1.00 0.00 C ATOM 934 CG2 VAL Q 3 -1.943 3.836 6.343 1.00 0.00 C ATOM 0 H VAL Q 3 -0.449 5.238 7.901 1.00 0.00 H new ATOM 0 HA VAL Q 3 -2.289 3.794 9.752 1.00 0.00 H new ATOM 0 HB VAL Q 3 -3.218 2.775 7.701 1.00 0.00 H new ATOM 0 HG11 VAL Q 3 -4.416 4.807 6.919 1.00 0.00 H new ATOM 0 HG12 VAL Q 3 -4.259 4.802 8.691 1.00 0.00 H new ATOM 0 HG13 VAL Q 3 -3.191 5.830 7.706 1.00 0.00 H new ATOM 0 HG21 VAL Q 3 -2.645 3.765 5.513 1.00 0.00 H new ATOM 0 HG22 VAL Q 3 -1.423 4.793 6.297 1.00 0.00 H new ATOM 0 HG23 VAL Q 3 -1.218 3.025 6.275 1.00 0.00 H new ATOM 944 N HIS Q 4 -0.835 1.776 9.784 1.00 0.00 N ATOM 945 CA HIS Q 4 0.053 0.609 9.853 1.00 0.00 C ATOM 946 C HIS Q 4 -0.765 -0.684 9.772 1.00 0.00 C ATOM 947 O HIS Q 4 -1.725 -0.858 10.520 1.00 0.00 O ATOM 948 CB HIS Q 4 0.850 0.634 11.184 1.00 0.00 C ATOM 949 CG HIS Q 4 1.635 1.937 11.368 1.00 0.00 C ATOM 950 ND1 HIS Q 4 1.765 2.558 12.616 1.00 0.00 N ATOM 951 CD2 HIS Q 4 2.353 2.733 10.492 1.00 0.00 C ATOM 952 CE1 HIS Q 4 2.523 3.657 12.451 1.00 0.00 C ATOM 953 NE2 HIS Q 4 2.907 3.813 11.181 1.00 0.00 N ATOM 0 H HIS Q 4 -1.515 1.837 10.542 1.00 0.00 H new ATOM 0 HA HIS Q 4 0.746 0.645 9.013 1.00 0.00 H new ATOM 0 HB2 HIS Q 4 0.162 0.506 12.019 1.00 0.00 H new ATOM 0 HB3 HIS Q 4 1.540 -0.210 11.208 1.00 0.00 H new ATOM 0 HD1 HIS Q 4 1.358 2.235 13.494 1.00 0.00 H new ATOM 0 HD2 HIS Q 4 2.467 2.546 9.434 1.00 0.00 H new ATOM 0 HE1 HIS Q 4 2.789 4.333 13.250 1.00 0.00 H new ATOM 960 N LEU Q 5 -0.372 -1.601 8.882 1.00 0.00 N ATOM 961 CA LEU Q 5 -1.078 -2.884 8.748 1.00 0.00 C ATOM 962 C LEU Q 5 -0.088 -4.029 8.624 1.00 0.00 C ATOM 963 O LEU Q 5 0.798 -4.009 7.763 1.00 0.00 O ATOM 964 CB LEU Q 5 -1.980 -2.861 7.528 1.00 0.00 C ATOM 965 CG LEU Q 5 -2.953 -1.657 7.614 1.00 0.00 C ATOM 966 CD1 LEU Q 5 -2.361 -0.446 6.876 1.00 0.00 C ATOM 967 CD2 LEU Q 5 -4.295 -2.030 6.976 1.00 0.00 C ATOM 0 H LEU Q 5 0.420 -1.484 8.250 1.00 0.00 H new ATOM 0 HA LEU Q 5 -1.683 -3.034 9.642 1.00 0.00 H new ATOM 0 HB2 LEU Q 5 -1.379 -2.790 6.622 1.00 0.00 H new ATOM 0 HB3 LEU Q 5 -2.544 -3.792 7.464 1.00 0.00 H new ATOM 0 HG LEU Q 5 -3.104 -1.401 8.663 1.00 0.00 H new ATOM 0 HD11 LEU Q 5 -3.052 0.394 6.942 1.00 0.00 H new ATOM 0 HD12 LEU Q 5 -1.410 -0.171 7.333 1.00 0.00 H new ATOM 0 HD13 LEU Q 5 -2.200 -0.701 5.829 1.00 0.00 H new ATOM 0 HD21 LEU Q 5 -4.976 -1.181 7.038 1.00 0.00 H new ATOM 0 HD22 LEU Q 5 -4.140 -2.294 5.930 1.00 0.00 H new ATOM 0 HD23 LEU Q 5 -4.726 -2.880 7.505 1.00 0.00 H new ATOM 979 N GLN Q 6 -0.257 -5.043 9.474 1.00 0.00 N ATOM 980 CA GLN Q 6 0.621 -6.212 9.442 1.00 0.00 C ATOM 981 C GLN Q 6 -0.205 -7.466 9.207 1.00 0.00 C ATOM 982 O GLN Q 6 -0.946 -7.900 10.085 1.00 0.00 O ATOM 983 CB GLN Q 6 1.381 -6.326 10.765 1.00 0.00 C ATOM 984 CG GLN Q 6 2.340 -7.517 10.701 1.00 0.00 C ATOM 985 CD GLN Q 6 3.045 -7.693 12.037 1.00 0.00 C ATOM 986 OE1 GLN Q 6 2.392 -7.864 13.069 1.00 0.00 O ATOM 987 NE2 GLN Q 6 4.349 -7.672 12.078 1.00 0.00 N ATOM 0 H GLN Q 6 -0.986 -5.078 10.186 1.00 0.00 H new ATOM 0 HA GLN Q 6 1.339 -6.101 8.630 1.00 0.00 H new ATOM 0 HB2 GLN Q 6 1.936 -5.408 10.958 1.00 0.00 H new ATOM 0 HB3 GLN Q 6 0.680 -6.454 11.590 1.00 0.00 H new ATOM 0 HG2 GLN Q 6 1.790 -8.424 10.449 1.00 0.00 H new ATOM 0 HG3 GLN Q 6 3.075 -7.360 9.911 1.00 0.00 H new ATOM 0 HE21 GLN Q 6 4.884 -7.530 11.221 1.00 0.00 H new ATOM 0 HE22 GLN Q 6 4.833 -7.797 12.967 1.00 0.00 H new ATOM 996 N ILE Q 7 -0.064 -8.046 8.016 1.00 0.00 N ATOM 997 CA ILE Q 7 -0.800 -9.262 7.666 1.00 0.00 C ATOM 998 C ILE Q 7 0.166 -10.416 7.424 1.00 0.00 C ATOM 999 O ILE Q 7 1.275 -10.157 6.982 1.00 0.00 O ATOM 1000 CB ILE Q 7 -1.631 -9.016 6.404 1.00 0.00 C ATOM 1001 CG1 ILE Q 7 -2.607 -7.864 6.659 1.00 0.00 C ATOM 1002 CG2 ILE Q 7 -2.419 -10.284 6.065 1.00 0.00 C ATOM 1003 CD1 ILE Q 7 -3.257 -7.447 5.337 1.00 0.00 C ATOM 1004 OXT ILE Q 7 -0.215 -11.545 7.687 1.00 0.00 O ATOM 0 H ILE Q 7 0.550 -7.697 7.280 1.00 0.00 H new ATOM 0 HA ILE Q 7 -1.460 -9.523 8.493 1.00 0.00 H new ATOM 0 HB ILE Q 7 -0.973 -8.761 5.573 1.00 0.00 H new ATOM 0 HG12 ILE Q 7 -3.372 -8.172 7.372 1.00 0.00 H new ATOM 0 HG13 ILE Q 7 -2.081 -7.018 7.101 1.00 0.00 H new ATOM 0 HG21 ILE Q 7 -3.013 -10.114 5.167 1.00 0.00 H new ATOM 0 HG22 ILE Q 7 -1.726 -11.107 5.892 1.00 0.00 H new ATOM 0 HG23 ILE Q 7 -3.080 -10.534 6.895 1.00 0.00 H new ATOM 0 HD11 ILE Q 7 -3.952 -6.627 5.516 1.00 0.00 H new ATOM 0 HD12 ILE Q 7 -2.486 -7.123 4.639 1.00 0.00 H new ATOM 0 HD13 ILE Q 7 -3.797 -8.294 4.914 1.00 0.00 H new ATOM 1017 N ILE S 1 1.695 11.600 4.918 1.00 0.00 N ATOM 1018 CA ILE S 1 0.911 10.347 5.117 1.00 0.00 C ATOM 1019 C ILE S 1 1.833 9.149 4.931 1.00 0.00 C ATOM 1020 O ILE S 1 2.488 9.011 3.894 1.00 0.00 O ATOM 1021 CB ILE S 1 -0.230 10.293 4.100 1.00 0.00 C ATOM 1022 CG1 ILE S 1 -1.173 11.475 4.342 1.00 0.00 C ATOM 1023 CG2 ILE S 1 -1.000 8.983 4.267 1.00 0.00 C ATOM 1024 CD1 ILE S 1 -2.168 11.575 3.188 1.00 0.00 C ATOM 0 H1 ILE S 1 1.277 12.365 5.486 1.00 0.00 H new ATOM 0 H2 ILE S 1 2.679 11.445 5.217 1.00 0.00 H new ATOM 0 H3 ILE S 1 1.676 11.865 3.913 1.00 0.00 H new ATOM 0 HA ILE S 1 0.491 10.327 6.122 1.00 0.00 H new ATOM 0 HB ILE S 1 0.175 10.347 3.089 1.00 0.00 H new ATOM 0 HG12 ILE S 1 -1.704 11.343 5.284 1.00 0.00 H new ATOM 0 HG13 ILE S 1 -0.601 12.399 4.425 1.00 0.00 H new ATOM 0 HG21 ILE S 1 -1.813 8.944 3.542 1.00 0.00 H new ATOM 0 HG22 ILE S 1 -0.327 8.142 4.102 1.00 0.00 H new ATOM 0 HG23 ILE S 1 -1.410 8.928 5.276 1.00 0.00 H new ATOM 0 HD11 ILE S 1 -2.840 12.416 3.359 1.00 0.00 H new ATOM 0 HD12 ILE S 1 -1.627 11.726 2.254 1.00 0.00 H new ATOM 0 HD13 ILE S 1 -2.748 10.654 3.127 1.00 0.00 H new ATOM 1038 N HIS S 2 1.884 8.279 5.943 1.00 0.00 N ATOM 1039 CA HIS S 2 2.724 7.104 5.879 1.00 0.00 C ATOM 1040 C HIS S 2 1.866 5.850 5.845 1.00 0.00 C ATOM 1041 O HIS S 2 1.062 5.623 6.747 1.00 0.00 O ATOM 1042 CB HIS S 2 3.585 7.102 7.154 1.00 0.00 C ATOM 1043 CG HIS S 2 4.286 5.784 7.338 1.00 0.00 C ATOM 1044 ND1 HIS S 2 4.546 5.222 8.599 1.00 0.00 N ATOM 1045 CD2 HIS S 2 4.826 4.926 6.431 1.00 0.00 C ATOM 1046 CE1 HIS S 2 5.218 4.085 8.401 1.00 0.00 C ATOM 1047 NE2 HIS S 2 5.420 3.846 7.107 1.00 0.00 N ATOM 0 H HIS S 2 1.352 8.375 6.808 1.00 0.00 H new ATOM 0 HA HIS S 2 3.342 7.118 4.981 1.00 0.00 H new ATOM 0 HB2 HIS S 2 4.322 7.904 7.099 1.00 0.00 H new ATOM 0 HB3 HIS S 2 2.956 7.306 8.021 1.00 0.00 H new ATOM 0 HD1 HIS S 2 4.272 5.611 9.501 1.00 0.00 H new ATOM 0 HD2 HIS S 2 4.802 5.054 5.359 1.00 0.00 H new ATOM 0 HE1 HIS S 2 5.557 3.437 9.196 1.00 0.00 H new ATOM 1054 N VAL S 3 2.065 5.023 4.817 1.00 0.00 N ATOM 1055 CA VAL S 3 1.322 3.770 4.709 1.00 0.00 C ATOM 1056 C VAL S 3 2.275 2.597 4.755 1.00 0.00 C ATOM 1057 O VAL S 3 3.147 2.488 3.898 1.00 0.00 O ATOM 1058 CB VAL S 3 0.537 3.736 3.399 1.00 0.00 C ATOM 1059 CG1 VAL S 3 -0.324 2.458 3.328 1.00 0.00 C ATOM 1060 CG2 VAL S 3 -0.358 4.980 3.300 1.00 0.00 C ATOM 0 H VAL S 3 2.725 5.196 4.059 1.00 0.00 H new ATOM 0 HA VAL S 3 0.627 3.704 5.546 1.00 0.00 H new ATOM 0 HB VAL S 3 1.238 3.732 2.564 1.00 0.00 H new ATOM 0 HG11 VAL S 3 -0.879 2.445 2.390 1.00 0.00 H new ATOM 0 HG12 VAL S 3 0.321 1.581 3.380 1.00 0.00 H new ATOM 0 HG13 VAL S 3 -1.024 2.444 4.164 1.00 0.00 H new ATOM 0 HG21 VAL S 3 -0.917 4.953 2.364 1.00 0.00 H new ATOM 0 HG22 VAL S 3 -1.055 4.995 4.138 1.00 0.00 H new ATOM 0 HG23 VAL S 3 0.261 5.877 3.327 1.00 0.00 H new ATOM 1070 N HIS S 4 2.078 1.686 5.710 1.00 0.00 N ATOM 1071 CA HIS S 4 2.893 0.508 5.789 1.00 0.00 C ATOM 1072 C HIS S 4 2.050 -0.744 5.631 1.00 0.00 C ATOM 1073 O HIS S 4 1.027 -0.911 6.308 1.00 0.00 O ATOM 1074 CB HIS S 4 3.671 0.528 7.118 1.00 0.00 C ATOM 1075 CG HIS S 4 4.924 -0.297 6.993 1.00 0.00 C ATOM 1076 ND1 HIS S 4 6.233 0.238 6.964 1.00 0.00 N ATOM 1077 CD2 HIS S 4 5.070 -1.635 6.905 1.00 0.00 C ATOM 1078 CE1 HIS S 4 7.079 -0.796 6.865 1.00 0.00 C ATOM 1079 NE2 HIS S 4 6.426 -1.963 6.829 1.00 0.00 N ATOM 0 H HIS S 4 1.359 1.756 6.430 1.00 0.00 H new ATOM 0 HA HIS S 4 3.612 0.497 4.970 1.00 0.00 H new ATOM 0 HB2 HIS S 4 3.926 1.554 7.384 1.00 0.00 H new ATOM 0 HB3 HIS S 4 3.046 0.136 7.921 1.00 0.00 H new ATOM 0 HD2 HIS S 4 4.259 -2.348 6.895 1.00 0.00 H new ATOM 0 HE1 HIS S 4 8.154 -0.700 6.820 1.00 0.00 H new ATOM 0 HE2 HIS S 4 6.833 -2.896 6.760 1.00 0.00 H new ATOM 1087 N LEU S 5 2.499 -1.632 4.734 1.00 0.00 N ATOM 1088 CA LEU S 5 1.794 -2.874 4.488 1.00 0.00 C ATOM 1089 C LEU S 5 2.758 -4.043 4.446 1.00 0.00 C ATOM 1090 O LEU S 5 3.493 -4.211 3.479 1.00 0.00 O ATOM 1091 CB LEU S 5 1.017 -2.779 3.141 1.00 0.00 C ATOM 1092 CG LEU S 5 -0.431 -3.269 3.315 1.00 0.00 C ATOM 1093 CD1 LEU S 5 -0.468 -4.603 4.108 1.00 0.00 C ATOM 1094 CD2 LEU S 5 -1.245 -2.179 4.042 1.00 0.00 C ATOM 0 H LEU S 5 3.343 -1.505 4.175 1.00 0.00 H new ATOM 0 HA LEU S 5 1.090 -3.040 5.304 1.00 0.00 H new ATOM 0 HB2 LEU S 5 1.018 -1.748 2.787 1.00 0.00 H new ATOM 0 HB3 LEU S 5 1.520 -3.377 2.382 1.00 0.00 H new ATOM 0 HG LEU S 5 -0.870 -3.456 2.335 1.00 0.00 H new ATOM 0 HD11 LEU S 5 -1.501 -4.931 4.220 1.00 0.00 H new ATOM 0 HD12 LEU S 5 0.098 -5.363 3.569 1.00 0.00 H new ATOM 0 HD13 LEU S 5 -0.027 -4.453 5.093 1.00 0.00 H new ATOM 0 HD21 LEU S 5 -2.273 -2.517 4.170 1.00 0.00 H new ATOM 0 HD22 LEU S 5 -0.802 -1.985 5.019 1.00 0.00 H new ATOM 0 HD23 LEU S 5 -1.235 -1.263 3.451 1.00 0.00 H new ATOM 1106 N GLN S 6 2.714 -4.883 5.477 1.00 0.00 N ATOM 1107 CA GLN S 6 3.582 -6.061 5.520 1.00 0.00 C ATOM 1108 C GLN S 6 2.760 -7.319 5.282 1.00 0.00 C ATOM 1109 O GLN S 6 1.918 -7.677 6.100 1.00 0.00 O ATOM 1110 CB GLN S 6 4.270 -6.132 6.878 1.00 0.00 C ATOM 1111 CG GLN S 6 5.312 -7.249 6.857 1.00 0.00 C ATOM 1112 CD GLN S 6 5.962 -7.385 8.228 1.00 0.00 C ATOM 1113 OE1 GLN S 6 5.279 -7.347 9.251 1.00 0.00 O ATOM 1114 NE2 GLN S 6 7.254 -7.538 8.308 1.00 0.00 N ATOM 0 H GLN S 6 2.098 -4.775 6.283 1.00 0.00 H new ATOM 0 HA GLN S 6 4.338 -5.985 4.738 1.00 0.00 H new ATOM 0 HB2 GLN S 6 4.746 -5.179 7.108 1.00 0.00 H new ATOM 0 HB3 GLN S 6 3.536 -6.319 7.662 1.00 0.00 H new ATOM 0 HG2 GLN S 6 4.841 -8.191 6.574 1.00 0.00 H new ATOM 0 HG3 GLN S 6 6.072 -7.034 6.106 1.00 0.00 H new ATOM 0 HE21 GLN S 6 7.817 -7.569 7.458 1.00 0.00 H new ATOM 0 HE22 GLN S 6 7.702 -7.627 9.220 1.00 0.00 H new ATOM 1123 N ILE S 7 3.003 -7.979 4.147 1.00 0.00 N ATOM 1124 CA ILE S 7 2.265 -9.195 3.797 1.00 0.00 C ATOM 1125 C ILE S 7 3.229 -10.360 3.600 1.00 0.00 C ATOM 1126 O ILE S 7 2.807 -11.489 3.791 1.00 0.00 O ATOM 1127 CB ILE S 7 1.473 -8.961 2.503 1.00 0.00 C ATOM 1128 CG1 ILE S 7 0.720 -7.634 2.596 1.00 0.00 C ATOM 1129 CG2 ILE S 7 0.463 -10.094 2.324 1.00 0.00 C ATOM 1130 CD1 ILE S 7 0.063 -7.328 1.256 1.00 0.00 C ATOM 1131 OXT ILE S 7 4.376 -10.108 3.268 1.00 0.00 O ATOM 0 H ILE S 7 3.700 -7.694 3.459 1.00 0.00 H new ATOM 0 HA ILE S 7 1.579 -9.437 4.609 1.00 0.00 H new ATOM 0 HB ILE S 7 2.159 -8.933 1.656 1.00 0.00 H new ATOM 0 HG12 ILE S 7 -0.035 -7.686 3.380 1.00 0.00 H new ATOM 0 HG13 ILE S 7 1.407 -6.832 2.868 1.00 0.00 H new ATOM 0 HG21 ILE S 7 -0.104 -9.935 1.407 1.00 0.00 H new ATOM 0 HG22 ILE S 7 0.991 -11.046 2.264 1.00 0.00 H new ATOM 0 HG23 ILE S 7 -0.219 -10.111 3.174 1.00 0.00 H new ATOM 0 HD11 ILE S 7 -0.474 -6.382 1.322 1.00 0.00 H new ATOM 0 HD12 ILE S 7 0.828 -7.258 0.483 1.00 0.00 H new ATOM 0 HD13 ILE S 7 -0.636 -8.125 1.003 1.00 0.00 H new ATOM 1144 N ILE U 1 4.096 11.840 0.566 1.00 0.00 N ATOM 1145 CA ILE U 1 3.371 10.568 0.843 1.00 0.00 C ATOM 1146 C ILE U 1 4.324 9.386 0.666 1.00 0.00 C ATOM 1147 O ILE U 1 4.862 9.162 -0.426 1.00 0.00 O ATOM 1148 CB ILE U 1 2.200 10.431 -0.134 1.00 0.00 C ATOM 1149 CG1 ILE U 1 1.224 11.591 0.080 1.00 0.00 C ATOM 1150 CG2 ILE U 1 1.477 9.110 0.122 1.00 0.00 C ATOM 1151 CD1 ILE U 1 0.206 11.619 -1.059 1.00 0.00 C ATOM 0 H1 ILE U 1 3.672 12.610 1.122 1.00 0.00 H new ATOM 0 H2 ILE U 1 5.096 11.734 0.829 1.00 0.00 H new ATOM 0 H3 ILE U 1 4.027 12.066 -0.447 1.00 0.00 H new ATOM 0 HA ILE U 1 2.995 10.578 1.866 1.00 0.00 H new ATOM 0 HB ILE U 1 2.575 10.450 -1.157 1.00 0.00 H new ATOM 0 HG12 ILE U 1 0.713 11.478 1.036 1.00 0.00 H new ATOM 0 HG13 ILE U 1 1.768 12.535 0.119 1.00 0.00 H new ATOM 0 HG21 ILE U 1 0.643 9.011 -0.573 1.00 0.00 H new ATOM 0 HG22 ILE U 1 2.170 8.282 -0.023 1.00 0.00 H new ATOM 0 HG23 ILE U 1 1.101 9.093 1.145 1.00 0.00 H new ATOM 0 HD11 ILE U 1 -0.489 12.445 -0.906 1.00 0.00 H new ATOM 0 HD12 ILE U 1 0.725 11.753 -2.008 1.00 0.00 H new ATOM 0 HD13 ILE U 1 -0.346 10.679 -1.077 1.00 0.00 H new ATOM 1165 N HIS U 2 4.533 8.619 1.738 1.00 0.00 N ATOM 1166 CA HIS U 2 5.414 7.451 1.653 1.00 0.00 C ATOM 1167 C HIS U 2 4.582 6.178 1.771 1.00 0.00 C ATOM 1168 O HIS U 2 3.913 5.969 2.779 1.00 0.00 O ATOM 1169 CB HIS U 2 6.427 7.488 2.820 1.00 0.00 C ATOM 1170 CG HIS U 2 7.646 8.306 2.469 1.00 0.00 C ATOM 1171 ND1 HIS U 2 8.920 7.754 2.450 1.00 0.00 N ATOM 1172 CD2 HIS U 2 7.812 9.632 2.143 1.00 0.00 C ATOM 1173 CE1 HIS U 2 9.783 8.732 2.121 1.00 0.00 C ATOM 1174 NE2 HIS U 2 9.161 9.896 1.925 1.00 0.00 N ATOM 0 H HIS U 2 4.116 8.779 2.655 1.00 0.00 H new ATOM 0 HA HIS U 2 5.941 7.466 0.699 1.00 0.00 H new ATOM 0 HB2 HIS U 2 5.949 7.907 3.705 1.00 0.00 H new ATOM 0 HB3 HIS U 2 6.730 6.472 3.073 1.00 0.00 H new ATOM 0 HD1 HIS U 2 9.158 6.783 2.649 1.00 0.00 H new ATOM 0 HD2 HIS U 2 7.016 10.358 2.068 1.00 0.00 H new ATOM 0 HE1 HIS U 2 10.850 8.592 2.027 1.00 0.00 H new ATOM 1182 N VAL U 3 4.680 5.295 0.770 1.00 0.00 N ATOM 1183 CA VAL U 3 3.977 4.010 0.823 1.00 0.00 C ATOM 1184 C VAL U 3 4.996 2.875 0.849 1.00 0.00 C ATOM 1185 O VAL U 3 5.863 2.791 -0.029 1.00 0.00 O ATOM 1186 CB VAL U 3 3.039 3.862 -0.374 1.00 0.00 C ATOM 1187 CG1 VAL U 3 1.985 4.972 -0.335 1.00 0.00 C ATOM 1188 CG2 VAL U 3 3.834 3.966 -1.664 1.00 0.00 C ATOM 0 H VAL U 3 5.231 5.444 -0.075 1.00 0.00 H new ATOM 0 HA VAL U 3 3.374 3.969 1.730 1.00 0.00 H new ATOM 0 HB VAL U 3 2.549 2.890 -0.330 1.00 0.00 H new ATOM 0 HG11 VAL U 3 1.315 4.868 -1.188 1.00 0.00 H new ATOM 0 HG12 VAL U 3 1.411 4.896 0.588 1.00 0.00 H new ATOM 0 HG13 VAL U 3 2.478 5.943 -0.377 1.00 0.00 H new ATOM 0 HG21 VAL U 3 3.162 3.860 -2.515 1.00 0.00 H new ATOM 0 HG22 VAL U 3 4.327 4.937 -1.710 1.00 0.00 H new ATOM 0 HG23 VAL U 3 4.584 3.176 -1.694 1.00 0.00 H new ATOM 1198 N HIS U 4 4.890 2.000 1.848 1.00 0.00 N ATOM 1199 CA HIS U 4 5.812 0.863 1.967 1.00 0.00 C ATOM 1200 C HIS U 4 5.039 -0.453 1.868 1.00 0.00 C ATOM 1201 O HIS U 4 4.062 -0.650 2.586 1.00 0.00 O ATOM 1202 CB HIS U 4 6.539 0.924 3.337 1.00 0.00 C ATOM 1203 CG HIS U 4 7.296 2.239 3.536 1.00 0.00 C ATOM 1204 ND1 HIS U 4 7.374 2.876 4.783 1.00 0.00 N ATOM 1205 CD2 HIS U 4 8.031 3.037 2.678 1.00 0.00 C ATOM 1206 CE1 HIS U 4 8.119 3.985 4.631 1.00 0.00 C ATOM 1207 NE2 HIS U 4 8.544 4.133 3.373 1.00 0.00 N ATOM 0 H HIS U 4 4.183 2.052 2.582 1.00 0.00 H new ATOM 0 HA HIS U 4 6.541 0.915 1.159 1.00 0.00 H new ATOM 0 HB2 HIS U 4 5.810 0.802 4.138 1.00 0.00 H new ATOM 0 HB3 HIS U 4 7.237 0.091 3.412 1.00 0.00 H new ATOM 0 HD1 HIS U 4 6.943 2.555 5.650 1.00 0.00 H new ATOM 0 HD2 HIS U 4 8.185 2.841 1.627 1.00 0.00 H new ATOM 0 HE1 HIS U 4 8.347 4.674 5.431 1.00 0.00 H new ATOM 1214 N LEU U 5 5.490 -1.366 1.001 1.00 0.00 N ATOM 1215 CA LEU U 5 4.826 -2.670 0.859 1.00 0.00 C ATOM 1216 C LEU U 5 5.849 -3.789 0.795 1.00 0.00 C ATOM 1217 O LEU U 5 6.765 -3.760 -0.032 1.00 0.00 O ATOM 1218 CB LEU U 5 3.969 -2.698 -0.398 1.00 0.00 C ATOM 1219 CG LEU U 5 2.951 -1.528 -0.364 1.00 0.00 C ATOM 1220 CD1 LEU U 5 3.535 -0.302 -1.084 1.00 0.00 C ATOM 1221 CD2 LEU U 5 1.653 -1.952 -1.060 1.00 0.00 C ATOM 0 H LEU U 5 6.299 -1.232 0.395 1.00 0.00 H new ATOM 0 HA LEU U 5 4.190 -2.818 1.732 1.00 0.00 H new ATOM 0 HB2 LEU U 5 4.601 -2.617 -1.282 1.00 0.00 H new ATOM 0 HB3 LEU U 5 3.442 -3.649 -0.469 1.00 0.00 H new ATOM 0 HG LEU U 5 2.743 -1.271 0.675 1.00 0.00 H new ATOM 0 HD11 LEU U 5 2.814 0.515 -1.055 1.00 0.00 H new ATOM 0 HD12 LEU U 5 4.454 0.008 -0.587 1.00 0.00 H new ATOM 0 HD13 LEU U 5 3.752 -0.558 -2.121 1.00 0.00 H new ATOM 0 HD21 LEU U 5 0.940 -1.128 -1.034 1.00 0.00 H new ATOM 0 HD22 LEU U 5 1.865 -2.216 -2.096 1.00 0.00 H new ATOM 0 HD23 LEU U 5 1.229 -2.814 -0.545 1.00 0.00 H new ATOM 1233 N GLN U 6 5.671 -4.795 1.654 1.00 0.00 N ATOM 1234 CA GLN U 6 6.577 -5.942 1.677 1.00 0.00 C ATOM 1235 C GLN U 6 5.797 -7.220 1.427 1.00 0.00 C ATOM 1236 O GLN U 6 5.039 -7.666 2.282 1.00 0.00 O ATOM 1237 CB GLN U 6 7.288 -6.013 3.031 1.00 0.00 C ATOM 1238 CG GLN U 6 8.270 -7.184 3.029 1.00 0.00 C ATOM 1239 CD GLN U 6 8.936 -7.314 4.392 1.00 0.00 C ATOM 1240 OE1 GLN U 6 8.258 -7.465 5.413 1.00 0.00 O ATOM 1241 NE2 GLN U 6 10.240 -7.274 4.465 1.00 0.00 N ATOM 0 H GLN U 6 4.914 -4.838 2.337 1.00 0.00 H new ATOM 0 HA GLN U 6 7.324 -5.826 0.891 1.00 0.00 H new ATOM 0 HB2 GLN U 6 7.818 -5.080 3.225 1.00 0.00 H new ATOM 0 HB3 GLN U 6 6.558 -6.138 3.831 1.00 0.00 H new ATOM 0 HG2 GLN U 6 7.746 -8.107 2.783 1.00 0.00 H new ATOM 0 HG3 GLN U 6 9.027 -7.032 2.259 1.00 0.00 H new ATOM 0 HE21 GLN U 6 10.795 -7.149 3.618 1.00 0.00 H new ATOM 0 HE22 GLN U 6 10.703 -7.368 5.369 1.00 0.00 H new ATOM 1250 N ILE U 7 5.998 -7.809 0.249 1.00 0.00 N ATOM 1251 CA ILE U 7 5.310 -9.049 -0.113 1.00 0.00 C ATOM 1252 C ILE U 7 6.315 -10.181 -0.296 1.00 0.00 C ATOM 1253 O ILE U 7 7.455 -9.892 -0.628 1.00 0.00 O ATOM 1254 CB ILE U 7 4.532 -8.844 -1.414 1.00 0.00 C ATOM 1255 CG1 ILE U 7 3.522 -7.711 -1.225 1.00 0.00 C ATOM 1256 CG2 ILE U 7 3.784 -10.136 -1.760 1.00 0.00 C ATOM 1257 CD1 ILE U 7 2.921 -7.327 -2.578 1.00 0.00 C ATOM 1258 OXT ILE U 7 5.933 -11.322 -0.096 1.00 0.00 O ATOM 0 H ILE U 7 6.628 -7.450 -0.468 1.00 0.00 H new ATOM 0 HA ILE U 7 4.621 -9.314 0.689 1.00 0.00 H new ATOM 0 HB ILE U 7 5.221 -8.590 -2.220 1.00 0.00 H new ATOM 0 HG12 ILE U 7 2.733 -8.024 -0.541 1.00 0.00 H new ATOM 0 HG13 ILE U 7 4.010 -6.847 -0.774 1.00 0.00 H new ATOM 0 HG21 ILE U 7 3.227 -9.997 -2.687 1.00 0.00 H new ATOM 0 HG22 ILE U 7 4.500 -10.948 -1.885 1.00 0.00 H new ATOM 0 HG23 ILE U 7 3.092 -10.383 -0.955 1.00 0.00 H new ATOM 0 HD11 ILE U 7 2.202 -6.520 -2.441 1.00 0.00 H new ATOM 0 HD12 ILE U 7 3.715 -6.996 -3.248 1.00 0.00 H new ATOM 0 HD13 ILE U 7 2.418 -8.191 -3.011 1.00 0.00 H new ATOM 1271 N ILE W 1 7.346 11.796 -2.966 1.00 0.00 N ATOM 1272 CA ILE W 1 6.576 10.529 -2.818 1.00 0.00 C ATOM 1273 C ILE W 1 7.527 9.345 -2.953 1.00 0.00 C ATOM 1274 O ILE W 1 8.238 9.218 -3.955 1.00 0.00 O ATOM 1275 CB ILE W 1 5.494 10.457 -3.897 1.00 0.00 C ATOM 1276 CG1 ILE W 1 4.524 11.628 -3.715 1.00 0.00 C ATOM 1277 CG2 ILE W 1 4.733 9.137 -3.774 1.00 0.00 C ATOM 1278 CD1 ILE W 1 3.585 11.705 -4.917 1.00 0.00 C ATOM 0 H1 ILE W 1 6.854 12.562 -2.463 1.00 0.00 H new ATOM 0 H2 ILE W 1 8.297 11.673 -2.564 1.00 0.00 H new ATOM 0 H3 ILE W 1 7.425 12.039 -3.974 1.00 0.00 H new ATOM 0 HA ILE W 1 6.100 10.500 -1.838 1.00 0.00 H new ATOM 0 HB ILE W 1 5.956 10.513 -4.883 1.00 0.00 H new ATOM 0 HG12 ILE W 1 3.948 11.498 -2.799 1.00 0.00 H new ATOM 0 HG13 ILE W 1 5.079 12.561 -3.613 1.00 0.00 H new ATOM 0 HG21 ILE W 1 3.963 9.088 -4.544 1.00 0.00 H new ATOM 0 HG22 ILE W 1 5.425 8.305 -3.900 1.00 0.00 H new ATOM 0 HG23 ILE W 1 4.267 9.076 -2.790 1.00 0.00 H new ATOM 0 HD11 ILE W 1 2.895 12.539 -4.787 1.00 0.00 H new ATOM 0 HD12 ILE W 1 4.168 11.855 -5.825 1.00 0.00 H new ATOM 0 HD13 ILE W 1 3.021 10.776 -4.998 1.00 0.00 H new ATOM 1292 N HIS W 2 7.537 8.474 -1.942 1.00 0.00 N ATOM 1293 CA HIS W 2 8.404 7.313 -1.964 1.00 0.00 C ATOM 1294 C HIS W 2 7.570 6.042 -2.051 1.00 0.00 C ATOM 1295 O HIS W 2 6.733 5.792 -1.187 1.00 0.00 O ATOM 1296 CB HIS W 2 9.184 7.306 -0.640 1.00 0.00 C ATOM 1297 CG HIS W 2 9.944 6.019 -0.474 1.00 0.00 C ATOM 1298 ND1 HIS W 2 10.232 5.455 0.778 1.00 0.00 N ATOM 1299 CD2 HIS W 2 10.498 5.188 -1.395 1.00 0.00 C ATOM 1300 CE1 HIS W 2 10.934 4.333 0.558 1.00 0.00 C ATOM 1301 NE2 HIS W 2 11.127 4.119 -0.747 1.00 0.00 N ATOM 0 H HIS W 2 6.956 8.556 -1.107 1.00 0.00 H new ATOM 0 HA HIS W 2 9.073 7.353 -2.823 1.00 0.00 H new ATOM 0 HB2 HIS W 2 9.876 8.148 -0.616 1.00 0.00 H new ATOM 0 HB3 HIS W 2 8.494 7.436 0.194 1.00 0.00 H new ATOM 0 HD2 HIS W 2 10.459 5.331 -2.465 1.00 0.00 H new ATOM 0 HE1 HIS W 2 11.298 3.683 1.339 1.00 0.00 H new ATOM 0 HE2 HIS W 2 11.627 3.342 -1.179 1.00 0.00 H new ATOM 1308 N VAL W 3 7.835 5.219 -3.071 1.00 0.00 N ATOM 1309 CA VAL W 3 7.119 3.954 -3.213 1.00 0.00 C ATOM 1310 C VAL W 3 8.083 2.792 -3.122 1.00 0.00 C ATOM 1311 O VAL W 3 8.998 2.689 -3.937 1.00 0.00 O ATOM 1312 CB VAL W 3 6.389 3.909 -4.554 1.00 0.00 C ATOM 1313 CG1 VAL W 3 5.553 2.612 -4.666 1.00 0.00 C ATOM 1314 CG2 VAL W 3 5.475 5.135 -4.682 1.00 0.00 C ATOM 0 H VAL W 3 8.528 5.404 -3.797 1.00 0.00 H new ATOM 0 HA VAL W 3 6.391 3.877 -2.405 1.00 0.00 H new ATOM 0 HB VAL W 3 7.123 3.920 -5.360 1.00 0.00 H new ATOM 0 HG11 VAL W 3 5.038 2.593 -5.626 1.00 0.00 H new ATOM 0 HG12 VAL W 3 6.212 1.747 -4.590 1.00 0.00 H new ATOM 0 HG13 VAL W 3 4.819 2.581 -3.860 1.00 0.00 H new ATOM 0 HG21 VAL W 3 4.954 5.102 -5.639 1.00 0.00 H new ATOM 0 HG22 VAL W 3 4.746 5.131 -3.872 1.00 0.00 H new ATOM 0 HG23 VAL W 3 6.075 6.043 -4.626 1.00 0.00 H new ATOM 1324 N HIS W 4 7.850 1.884 -2.170 1.00 0.00 N ATOM 1325 CA HIS W 4 8.671 0.712 -2.042 1.00 0.00 C ATOM 1326 C HIS W 4 7.853 -0.548 -2.238 1.00 0.00 C ATOM 1327 O HIS W 4 6.795 -0.723 -1.618 1.00 0.00 O ATOM 1328 CB HIS W 4 9.379 0.740 -0.674 1.00 0.00 C ATOM 1329 CG HIS W 4 10.643 -0.076 -0.737 1.00 0.00 C ATOM 1330 ND1 HIS W 4 11.944 0.463 -0.642 1.00 0.00 N ATOM 1331 CD2 HIS W 4 10.805 -1.411 -0.877 1.00 0.00 C ATOM 1332 CE1 HIS W 4 12.803 -0.563 -0.732 1.00 0.00 C ATOM 1333 NE2 HIS W 4 12.166 -1.728 -0.875 1.00 0.00 N ATOM 0 H HIS W 4 7.097 1.952 -1.485 1.00 0.00 H new ATOM 0 HA HIS W 4 9.431 0.709 -2.823 1.00 0.00 H new ATOM 0 HB2 HIS W 4 9.612 1.768 -0.396 1.00 0.00 H new ATOM 0 HB3 HIS W 4 8.717 0.344 0.096 1.00 0.00 H new ATOM 0 HD2 HIS W 4 10.002 -2.126 -0.976 1.00 0.00 H new ATOM 0 HE1 HIS W 4 13.877 -0.460 -0.694 1.00 0.00 H new ATOM 0 HE2 HIS W 4 12.585 -2.654 -0.964 1.00 0.00 H new ATOM 1341 N LEU W 5 8.363 -1.436 -3.102 1.00 0.00 N ATOM 1342 CA LEU W 5 7.686 -2.685 -3.378 1.00 0.00 C ATOM 1343 C LEU W 5 8.667 -3.841 -3.392 1.00 0.00 C ATOM 1344 O LEU W 5 9.421 -4.012 -4.344 1.00 0.00 O ATOM 1345 CB LEU W 5 6.955 -2.593 -4.749 1.00 0.00 C ATOM 1346 CG LEU W 5 5.513 -3.119 -4.630 1.00 0.00 C ATOM 1347 CD1 LEU W 5 5.479 -4.460 -3.849 1.00 0.00 C ATOM 1348 CD2 LEU W 5 4.646 -2.054 -3.923 1.00 0.00 C ATOM 0 H LEU W 5 9.236 -1.303 -3.612 1.00 0.00 H new ATOM 0 HA LEU W 5 6.957 -2.865 -2.588 1.00 0.00 H new ATOM 0 HB2 LEU W 5 6.943 -1.559 -5.092 1.00 0.00 H new ATOM 0 HB3 LEU W 5 7.498 -3.171 -5.497 1.00 0.00 H new ATOM 0 HG LEU W 5 5.114 -3.308 -5.627 1.00 0.00 H new ATOM 0 HD11 LEU W 5 4.450 -4.813 -3.777 1.00 0.00 H new ATOM 0 HD12 LEU W 5 6.081 -5.202 -4.373 1.00 0.00 H new ATOM 0 HD13 LEU W 5 5.881 -4.308 -2.847 1.00 0.00 H new ATOM 0 HD21 LEU W 5 3.623 -2.418 -3.834 1.00 0.00 H new ATOM 0 HD22 LEU W 5 5.049 -1.858 -2.929 1.00 0.00 H new ATOM 0 HD23 LEU W 5 4.654 -1.133 -4.506 1.00 0.00 H new ATOM 1360 N GLN W 6 8.619 -4.670 -2.350 1.00 0.00 N ATOM 1361 CA GLN W 6 9.502 -5.834 -2.280 1.00 0.00 C ATOM 1362 C GLN W 6 8.713 -7.108 -2.535 1.00 0.00 C ATOM 1363 O GLN W 6 7.845 -7.470 -1.750 1.00 0.00 O ATOM 1364 CB GLN W 6 10.157 -5.883 -0.902 1.00 0.00 C ATOM 1365 CG GLN W 6 11.210 -6.986 -0.886 1.00 0.00 C ATOM 1366 CD GLN W 6 11.840 -7.096 0.499 1.00 0.00 C ATOM 1367 OE1 GLN W 6 11.149 -7.045 1.518 1.00 0.00 O ATOM 1368 NE2 GLN W 6 13.132 -7.240 0.597 1.00 0.00 N ATOM 0 H GLN W 6 7.989 -4.561 -1.555 1.00 0.00 H new ATOM 0 HA GLN W 6 10.274 -5.751 -3.045 1.00 0.00 H new ATOM 0 HB2 GLN W 6 10.616 -4.922 -0.670 1.00 0.00 H new ATOM 0 HB3 GLN W 6 9.405 -6.070 -0.135 1.00 0.00 H new ATOM 0 HG2 GLN W 6 10.755 -7.937 -1.162 1.00 0.00 H new ATOM 0 HG3 GLN W 6 11.980 -6.774 -1.628 1.00 0.00 H new ATOM 0 HE21 GLN W 6 13.706 -7.282 -0.245 1.00 0.00 H new ATOM 0 HE22 GLN W 6 13.569 -7.310 1.516 1.00 0.00 H new ATOM 1377 N ILE W 7 9.018 -7.779 -3.650 1.00 0.00 N ATOM 1378 CA ILE W 7 8.317 -9.013 -4.014 1.00 0.00 C ATOM 1379 C ILE W 7 9.309 -10.158 -4.162 1.00 0.00 C ATOM 1380 O ILE W 7 8.907 -11.293 -3.965 1.00 0.00 O ATOM 1381 CB ILE W 7 7.567 -8.810 -5.336 1.00 0.00 C ATOM 1382 CG1 ILE W 7 6.779 -7.500 -5.283 1.00 0.00 C ATOM 1383 CG2 ILE W 7 6.593 -9.972 -5.539 1.00 0.00 C ATOM 1384 CD1 ILE W 7 6.158 -7.223 -6.649 1.00 0.00 C ATOM 1385 OXT ILE W 7 10.460 -9.887 -4.465 1.00 0.00 O ATOM 0 H ILE W 7 9.740 -7.491 -4.311 1.00 0.00 H new ATOM 0 HA ILE W 7 7.606 -9.260 -3.226 1.00 0.00 H new ATOM 0 HB ILE W 7 8.281 -8.772 -6.159 1.00 0.00 H new ATOM 0 HG12 ILE W 7 6.000 -7.563 -4.524 1.00 0.00 H new ATOM 0 HG13 ILE W 7 7.437 -6.679 -4.998 1.00 0.00 H new ATOM 0 HG21 ILE W 7 6.055 -9.836 -6.477 1.00 0.00 H new ATOM 0 HG22 ILE W 7 7.147 -10.910 -5.571 1.00 0.00 H new ATOM 0 HG23 ILE W 7 5.882 -9.999 -4.713 1.00 0.00 H new ATOM 0 HD11 ILE W 7 5.597 -6.289 -6.611 1.00 0.00 H new ATOM 0 HD12 ILE W 7 6.946 -7.142 -7.397 1.00 0.00 H new ATOM 0 HD13 ILE W 7 5.487 -8.039 -6.916 1.00 0.00 H new ATOM 1398 N ILE Y 1 10.004 11.876 -7.083 1.00 0.00 N ATOM 1399 CA ILE Y 1 9.257 10.599 -6.907 1.00 0.00 C ATOM 1400 C ILE Y 1 10.215 9.426 -7.075 1.00 0.00 C ATOM 1401 O ILE Y 1 10.772 9.227 -8.155 1.00 0.00 O ATOM 1402 CB ILE Y 1 8.148 10.513 -7.961 1.00 0.00 C ATOM 1403 CG1 ILE Y 1 7.175 11.677 -7.769 1.00 0.00 C ATOM 1404 CG2 ILE Y 1 7.394 9.191 -7.804 1.00 0.00 C ATOM 1405 CD1 ILE Y 1 6.220 11.751 -8.960 1.00 0.00 C ATOM 0 H1 ILE Y 1 9.511 12.639 -6.577 1.00 0.00 H new ATOM 0 H2 ILE Y 1 10.965 11.771 -6.700 1.00 0.00 H new ATOM 0 H3 ILE Y 1 10.058 12.110 -8.095 1.00 0.00 H new ATOM 0 HA ILE Y 1 8.815 10.565 -5.911 1.00 0.00 H new ATOM 0 HB ILE Y 1 8.589 10.564 -8.957 1.00 0.00 H new ATOM 0 HG12 ILE Y 1 6.611 11.544 -6.846 1.00 0.00 H new ATOM 0 HG13 ILE Y 1 7.726 12.613 -7.674 1.00 0.00 H new ATOM 0 HG21 ILE Y 1 6.605 9.131 -8.554 1.00 0.00 H new ATOM 0 HG22 ILE Y 1 8.086 8.359 -7.937 1.00 0.00 H new ATOM 0 HG23 ILE Y 1 6.953 9.140 -6.809 1.00 0.00 H new ATOM 0 HD11 ILE Y 1 5.528 12.581 -8.820 1.00 0.00 H new ATOM 0 HD12 ILE Y 1 6.791 11.905 -9.875 1.00 0.00 H new ATOM 0 HD13 ILE Y 1 5.659 10.820 -9.035 1.00 0.00 H new ATOM 1419 N HIS Y 2 10.398 8.638 -6.011 1.00 0.00 N ATOM 1420 CA HIS Y 2 11.288 7.471 -6.086 1.00 0.00 C ATOM 1421 C HIS Y 2 10.461 6.195 -6.030 1.00 0.00 C ATOM 1422 O HIS Y 2 9.726 5.976 -5.070 1.00 0.00 O ATOM 1423 CB HIS Y 2 12.259 7.473 -4.883 1.00 0.00 C ATOM 1424 CG HIS Y 2 13.493 8.284 -5.177 1.00 0.00 C ATOM 1425 ND1 HIS Y 2 14.761 7.720 -5.166 1.00 0.00 N ATOM 1426 CD2 HIS Y 2 13.677 9.616 -5.455 1.00 0.00 C ATOM 1427 CE1 HIS Y 2 15.642 8.704 -5.427 1.00 0.00 C ATOM 1428 NE2 HIS Y 2 15.033 9.879 -5.612 1.00 0.00 N ATOM 0 H HIS Y 2 9.953 8.780 -5.104 1.00 0.00 H new ATOM 0 HA HIS Y 2 11.849 7.518 -7.019 1.00 0.00 H new ATOM 0 HB2 HIS Y 2 11.754 7.879 -4.006 1.00 0.00 H new ATOM 0 HB3 HIS Y 2 12.543 6.449 -4.641 1.00 0.00 H new ATOM 0 HD2 HIS Y 2 12.888 10.348 -5.539 1.00 0.00 H new ATOM 0 HE1 HIS Y 2 16.711 8.561 -5.480 1.00 0.00 H new ATOM 0 HE2 HIS Y 2 15.469 10.776 -5.823 1.00 0.00 H new ATOM 1436 N VAL Y 3 10.627 5.329 -7.030 1.00 0.00 N ATOM 1437 CA VAL Y 3 9.925 4.045 -7.042 1.00 0.00 C ATOM 1438 C VAL Y 3 10.938 2.916 -6.949 1.00 0.00 C ATOM 1439 O VAL Y 3 11.860 2.839 -7.761 1.00 0.00 O ATOM 1440 CB VAL Y 3 9.096 3.912 -8.318 1.00 0.00 C ATOM 1441 CG1 VAL Y 3 8.029 5.010 -8.345 1.00 0.00 C ATOM 1442 CG2 VAL Y 3 10.004 4.050 -9.543 1.00 0.00 C ATOM 0 H VAL Y 3 11.234 5.490 -7.834 1.00 0.00 H new ATOM 0 HA VAL Y 3 9.251 3.992 -6.187 1.00 0.00 H new ATOM 0 HB VAL Y 3 8.616 2.934 -8.337 1.00 0.00 H new ATOM 0 HG11 VAL Y 3 7.435 4.918 -9.255 1.00 0.00 H new ATOM 0 HG12 VAL Y 3 7.379 4.908 -7.476 1.00 0.00 H new ATOM 0 HG13 VAL Y 3 8.512 5.987 -8.324 1.00 0.00 H new ATOM 0 HG21 VAL Y 3 9.408 3.954 -10.450 1.00 0.00 H new ATOM 0 HG22 VAL Y 3 10.489 5.026 -9.528 1.00 0.00 H new ATOM 0 HG23 VAL Y 3 10.763 3.268 -9.523 1.00 0.00 H new ATOM 1452 N HIS Y 4 10.764 2.024 -5.969 1.00 0.00 N ATOM 1453 CA HIS Y 4 11.679 0.883 -5.802 1.00 0.00 C ATOM 1454 C HIS Y 4 10.912 -0.428 -5.970 1.00 0.00 C ATOM 1455 O HIS Y 4 9.882 -0.631 -5.330 1.00 0.00 O ATOM 1456 CB HIS Y 4 12.330 0.915 -4.395 1.00 0.00 C ATOM 1457 CG HIS Y 4 13.089 2.214 -4.135 1.00 0.00 C ATOM 1458 ND1 HIS Y 4 13.118 2.821 -2.870 1.00 0.00 N ATOM 1459 CD2 HIS Y 4 13.867 3.019 -4.944 1.00 0.00 C ATOM 1460 CE1 HIS Y 4 13.883 3.924 -2.968 1.00 0.00 C ATOM 1461 NE2 HIS Y 4 14.363 4.094 -4.204 1.00 0.00 N ATOM 0 H HIS Y 4 10.008 2.065 -5.285 1.00 0.00 H new ATOM 0 HA HIS Y 4 12.459 0.952 -6.560 1.00 0.00 H new ATOM 0 HB2 HIS Y 4 11.557 0.791 -3.637 1.00 0.00 H new ATOM 0 HB3 HIS Y 4 13.013 0.072 -4.294 1.00 0.00 H new ATOM 0 HD2 HIS Y 4 14.062 2.843 -5.992 1.00 0.00 H new ATOM 0 HE1 HIS Y 4 14.085 4.593 -2.145 1.00 0.00 H new ATOM 0 HE2 HIS Y 4 14.964 4.849 -4.536 1.00 0.00 H new ATOM 1468 N LEU Y 5 11.427 -1.324 -6.813 1.00 0.00 N ATOM 1469 CA LEU Y 5 10.782 -2.621 -7.030 1.00 0.00 C ATOM 1470 C LEU Y 5 11.812 -3.733 -7.040 1.00 0.00 C ATOM 1471 O LEU Y 5 12.785 -3.673 -7.785 1.00 0.00 O ATOM 1472 CB LEU Y 5 10.022 -2.622 -8.355 1.00 0.00 C ATOM 1473 CG LEU Y 5 8.994 -1.463 -8.364 1.00 0.00 C ATOM 1474 CD1 LEU Y 5 9.613 -0.219 -9.017 1.00 0.00 C ATOM 1475 CD2 LEU Y 5 7.748 -1.883 -9.149 1.00 0.00 C ATOM 0 H LEU Y 5 12.280 -1.179 -7.352 1.00 0.00 H new ATOM 0 HA LEU Y 5 10.081 -2.791 -6.213 1.00 0.00 H new ATOM 0 HB2 LEU Y 5 10.719 -2.510 -9.186 1.00 0.00 H new ATOM 0 HB3 LEU Y 5 9.512 -3.575 -8.493 1.00 0.00 H new ATOM 0 HG LEU Y 5 8.715 -1.229 -7.337 1.00 0.00 H new ATOM 0 HD11 LEU Y 5 8.884 0.591 -9.020 1.00 0.00 H new ATOM 0 HD12 LEU Y 5 10.494 0.087 -8.453 1.00 0.00 H new ATOM 0 HD13 LEU Y 5 9.901 -0.451 -10.042 1.00 0.00 H new ATOM 0 HD21 LEU Y 5 7.028 -1.065 -9.153 1.00 0.00 H new ATOM 0 HD22 LEU Y 5 8.028 -2.125 -10.174 1.00 0.00 H new ATOM 0 HD23 LEU Y 5 7.300 -2.759 -8.679 1.00 0.00 H new ATOM 1487 N GLN Y 6 11.582 -4.764 -6.227 1.00 0.00 N ATOM 1488 CA GLN Y 6 12.500 -5.904 -6.169 1.00 0.00 C ATOM 1489 C GLN Y 6 11.745 -7.183 -6.486 1.00 0.00 C ATOM 1490 O GLN Y 6 10.965 -7.666 -5.671 1.00 0.00 O ATOM 1491 CB GLN Y 6 13.123 -5.996 -4.775 1.00 0.00 C ATOM 1492 CG GLN Y 6 14.177 -7.106 -4.761 1.00 0.00 C ATOM 1493 CD GLN Y 6 14.752 -7.272 -3.355 1.00 0.00 C ATOM 1494 OE1 GLN Y 6 14.012 -7.367 -2.375 1.00 0.00 O ATOM 1495 NE2 GLN Y 6 16.042 -7.305 -3.198 1.00 0.00 N ATOM 0 H GLN Y 6 10.777 -4.835 -5.605 1.00 0.00 H new ATOM 0 HA GLN Y 6 13.294 -5.767 -6.903 1.00 0.00 H new ATOM 0 HB2 GLN Y 6 13.579 -5.043 -4.505 1.00 0.00 H new ATOM 0 HB3 GLN Y 6 12.352 -6.202 -4.033 1.00 0.00 H new ATOM 0 HG2 GLN Y 6 13.732 -8.044 -5.093 1.00 0.00 H new ATOM 0 HG3 GLN Y 6 14.976 -6.867 -5.463 1.00 0.00 H new ATOM 0 HE21 GLN Y 6 16.657 -7.227 -4.008 1.00 0.00 H new ATOM 0 HE22 GLN Y 6 16.440 -7.409 -2.265 1.00 0.00 H new ATOM 1504 N ILE Y 7 11.984 -7.728 -7.679 1.00 0.00 N ATOM 1505 CA ILE Y 7 11.318 -8.962 -8.104 1.00 0.00 C ATOM 1506 C ILE Y 7 12.333 -10.091 -8.243 1.00 0.00 C ATOM 1507 O ILE Y 7 13.494 -9.797 -8.481 1.00 0.00 O ATOM 1508 CB ILE Y 7 10.623 -8.732 -9.449 1.00 0.00 C ATOM 1509 CG1 ILE Y 7 9.602 -7.600 -9.305 1.00 0.00 C ATOM 1510 CG2 ILE Y 7 9.897 -10.012 -9.869 1.00 0.00 C ATOM 1511 CD1 ILE Y 7 9.083 -7.200 -10.687 1.00 0.00 C ATOM 1512 OXT ILE Y 7 11.936 -11.236 -8.103 1.00 0.00 O ATOM 0 H ILE Y 7 12.630 -7.338 -8.366 1.00 0.00 H new ATOM 0 HA ILE Y 7 10.580 -9.241 -7.352 1.00 0.00 H new ATOM 0 HB ILE Y 7 11.365 -8.465 -10.202 1.00 0.00 H new ATOM 0 HG12 ILE Y 7 8.774 -7.921 -8.673 1.00 0.00 H new ATOM 0 HG13 ILE Y 7 10.062 -6.742 -8.815 1.00 0.00 H new ATOM 0 HG21 ILE Y 7 9.401 -9.852 -10.826 1.00 0.00 H new ATOM 0 HG22 ILE Y 7 10.618 -10.824 -9.965 1.00 0.00 H new ATOM 0 HG23 ILE Y 7 9.154 -10.273 -9.115 1.00 0.00 H new ATOM 0 HD11 ILE Y 7 8.356 -6.394 -10.584 1.00 0.00 H new ATOM 0 HD12 ILE Y 7 9.915 -6.861 -11.304 1.00 0.00 H new ATOM 0 HD13 ILE Y 7 8.607 -8.059 -11.160 1.00 0.00 H new