USER MOD reduce.3.24.130724 H: found=0, std=0, add=819, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 822 hydrogens (10 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 NoAdj-H: A 39 HIS HD1 : A 39 HIS ND1 : A 50 ZNZN :(H bumps) USER MOD Single : A 2 TYR OH : rot 150:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= -0.0512 K(o=-0.051,f=-2.4!) USER MOD Single : A 17 TYR OH : rot -174:sc=-0.00727 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot -71:sc= 0.474 USER MOD Single : A 25 HIS : no HD1:sc= -0.0204 X(o=-0.02,f=-0.11) USER MOD Single : A 26 ASN : amide:sc= 0.958 K(o=0.96,f=-0.68) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot 80:sc= 0.0845 USER MOD Single : B 2 TYR OH : rot 180:sc= 0 USER MOD Single : B 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 12 GLN : amide:sc= 0 X(o=0,f=-0.057) USER MOD Single : B 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 16 GLN : amide:sc= -0.138 X(o=-0.14,f=0) USER MOD Single : B 17 TYR OH : rot -144:sc= 0.969 USER MOD Single : B 23 TYR OH : rot 180:sc= 0 USER MOD Single : B 24 THR OG1 : rot -140:sc= -0.399 USER MOD Single : B 25 HIS : no HD1:sc= 0.0389 X(o=0.039,f=-0.44) USER MOD Single : B 26 ASN : amide:sc= 0 K(o=0,f=-1.8!) USER MOD Single : B 31 LYS NZ :NH3+ 170:sc= 1.97 (180deg=1.71) USER MOD Single : B 38 LYS NZ :NH3+ 172:sc= 1.09 (180deg=1.06) USER MOD Single : B 39 HIS : +bothHN:sc= -0.285 K(o=-0.28,f=-4.1) USER MOD Single : B 45 THR OG1 : rot 79:sc= 1.19 USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 0 2.163 13.648 -12.567 1.00 0.00 C HETATM 2 O ACE A 0 2.186 13.704 -13.794 1.00 0.00 O HETATM 3 CH3 ACE A 0 1.573 14.783 -11.762 1.00 0.00 C HETATM 0 H1 ACE A 0 0.739 14.412 -11.167 1.00 0.00 H new HETATM 0 H2 ACE A 0 2.335 15.195 -11.101 1.00 0.00 H new HETATM 0 H3 ACE A 0 1.219 15.562 -12.437 1.00 0.00 H new ATOM 7 N ASP A 1 2.639 12.621 -11.865 1.00 0.00 N ATOM 8 CA ASP A 1 3.337 11.455 -12.449 1.00 0.00 C ATOM 9 C ASP A 1 3.058 10.125 -11.725 1.00 0.00 C ATOM 10 O ASP A 1 3.130 9.050 -12.324 1.00 0.00 O ATOM 11 CB ASP A 1 4.843 11.749 -12.418 1.00 0.00 C ATOM 12 CG ASP A 1 5.663 10.751 -13.256 1.00 0.00 C ATOM 13 OD1 ASP A 1 5.510 10.736 -14.502 1.00 0.00 O ATOM 14 OD2 ASP A 1 6.491 10.009 -12.675 1.00 0.00 O ATOM 0 H ASP A 1 2.553 12.566 -10.850 1.00 0.00 H new ATOM 0 HA ASP A 1 2.961 11.322 -13.463 1.00 0.00 H new ATOM 0 HB2 ASP A 1 5.019 12.759 -12.789 1.00 0.00 H new ATOM 0 HB3 ASP A 1 5.192 11.723 -11.386 1.00 0.00 H new ATOM 19 N TYR A 2 2.704 10.202 -10.438 1.00 0.00 N ATOM 20 CA TYR A 2 2.480 9.058 -9.543 1.00 0.00 C ATOM 21 C TYR A 2 1.513 7.996 -10.089 1.00 0.00 C ATOM 22 O TYR A 2 1.740 6.806 -9.896 1.00 0.00 O ATOM 23 CB TYR A 2 2.007 9.561 -8.170 1.00 0.00 C ATOM 24 CG TYR A 2 0.587 10.107 -8.102 1.00 0.00 C ATOM 25 CD1 TYR A 2 0.323 11.450 -8.440 1.00 0.00 C ATOM 26 CD2 TYR A 2 -0.470 9.271 -7.683 1.00 0.00 C ATOM 27 CE1 TYR A 2 -0.993 11.949 -8.393 1.00 0.00 C ATOM 28 CE2 TYR A 2 -1.785 9.772 -7.622 1.00 0.00 C ATOM 29 CZ TYR A 2 -2.053 11.109 -7.988 1.00 0.00 C ATOM 30 OH TYR A 2 -3.331 11.575 -7.966 1.00 0.00 O ATOM 0 H TYR A 2 2.560 11.097 -9.971 1.00 0.00 H new ATOM 0 HA TYR A 2 3.441 8.550 -9.456 1.00 0.00 H new ATOM 0 HB2 TYR A 2 2.092 8.740 -7.458 1.00 0.00 H new ATOM 0 HB3 TYR A 2 2.690 10.343 -7.839 1.00 0.00 H new ATOM 0 HD1 TYR A 2 1.134 12.099 -8.736 1.00 0.00 H new ATOM 0 HD2 TYR A 2 -0.270 8.246 -7.409 1.00 0.00 H new ATOM 0 HE1 TYR A 2 -1.191 12.975 -8.667 1.00 0.00 H new ATOM 0 HE2 TYR A 2 -2.591 9.132 -7.294 1.00 0.00 H new ATOM 0 HH TYR A 2 -3.951 10.837 -8.140 1.00 0.00 H new ATOM 40 N LEU A 3 0.464 8.411 -10.804 1.00 0.00 N ATOM 41 CA LEU A 3 -0.541 7.509 -11.396 1.00 0.00 C ATOM 42 C LEU A 3 0.077 6.560 -12.422 1.00 0.00 C ATOM 43 O LEU A 3 -0.194 5.363 -12.396 1.00 0.00 O ATOM 44 CB LEU A 3 -1.667 8.310 -12.076 1.00 0.00 C ATOM 45 CG LEU A 3 -2.562 9.084 -11.100 1.00 0.00 C ATOM 46 CD1 LEU A 3 -3.538 9.966 -11.881 1.00 0.00 C ATOM 47 CD2 LEU A 3 -3.388 8.161 -10.197 1.00 0.00 C ATOM 0 H LEU A 3 0.282 9.397 -10.994 1.00 0.00 H new ATOM 0 HA LEU A 3 -0.950 6.920 -10.575 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -1.223 9.013 -12.781 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -2.286 7.625 -12.655 1.00 0.00 H new ATOM 0 HG LEU A 3 -1.896 9.679 -10.474 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -4.172 10.514 -11.183 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -2.979 10.672 -12.495 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -4.160 9.341 -12.522 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -4.003 8.762 -9.527 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -4.031 7.531 -10.812 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -2.719 7.533 -9.609 1.00 0.00 H new ATOM 59 N ARG A 4 0.935 7.077 -13.306 1.00 0.00 N ATOM 60 CA ARG A 4 1.664 6.247 -14.278 1.00 0.00 C ATOM 61 C ARG A 4 2.665 5.320 -13.589 1.00 0.00 C ATOM 62 O ARG A 4 2.772 4.156 -13.969 1.00 0.00 O ATOM 63 CB ARG A 4 2.314 7.136 -15.351 1.00 0.00 C ATOM 64 CG ARG A 4 2.945 6.295 -16.479 1.00 0.00 C ATOM 65 CD ARG A 4 3.166 7.112 -17.759 1.00 0.00 C ATOM 66 NE ARG A 4 1.885 7.425 -18.429 1.00 0.00 N ATOM 67 CZ ARG A 4 1.711 8.175 -19.503 1.00 0.00 C ATOM 68 NH1 ARG A 4 2.705 8.749 -20.119 1.00 0.00 N ATOM 69 NH2 ARG A 4 0.515 8.363 -19.984 1.00 0.00 N ATOM 0 H ARG A 4 1.145 8.073 -13.371 1.00 0.00 H new ATOM 0 HA ARG A 4 0.953 5.593 -14.783 1.00 0.00 H new ATOM 0 HB2 ARG A 4 1.565 7.806 -15.772 1.00 0.00 H new ATOM 0 HB3 ARG A 4 3.079 7.762 -14.891 1.00 0.00 H new ATOM 0 HG2 ARG A 4 3.899 5.892 -16.139 1.00 0.00 H new ATOM 0 HG3 ARG A 4 2.300 5.445 -16.700 1.00 0.00 H new ATOM 0 HD2 ARG A 4 3.687 8.038 -17.516 1.00 0.00 H new ATOM 0 HD3 ARG A 4 3.808 6.555 -18.441 1.00 0.00 H new ATOM 0 HE ARG A 4 1.045 7.018 -18.018 1.00 0.00 H new ATOM 0 HH11 ARG A 4 3.657 8.627 -19.775 1.00 0.00 H new ATOM 0 HH12 ARG A 4 2.531 9.321 -20.945 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -0.290 7.931 -19.531 1.00 0.00 H new ATOM 0 HH22 ARG A 4 0.384 8.942 -20.813 1.00 0.00 H new ATOM 83 N GLU A 5 3.337 5.793 -12.538 1.00 0.00 N ATOM 84 CA GLU A 5 4.240 4.956 -11.729 1.00 0.00 C ATOM 85 C GLU A 5 3.497 3.801 -11.015 1.00 0.00 C ATOM 86 O GLU A 5 3.993 2.674 -10.967 1.00 0.00 O ATOM 87 CB GLU A 5 5.021 5.859 -10.760 1.00 0.00 C ATOM 88 CG GLU A 5 6.152 5.116 -10.038 1.00 0.00 C ATOM 89 CD GLU A 5 7.131 6.097 -9.361 1.00 0.00 C ATOM 90 OE1 GLU A 5 6.724 6.838 -8.432 1.00 0.00 O ATOM 91 OE2 GLU A 5 8.327 6.127 -9.744 1.00 0.00 O ATOM 0 H GLU A 5 3.275 6.760 -12.221 1.00 0.00 H new ATOM 0 HA GLU A 5 4.951 4.459 -12.388 1.00 0.00 H new ATOM 0 HB2 GLU A 5 5.439 6.701 -11.312 1.00 0.00 H new ATOM 0 HB3 GLU A 5 4.334 6.272 -10.021 1.00 0.00 H new ATOM 0 HG2 GLU A 5 5.729 4.447 -9.288 1.00 0.00 H new ATOM 0 HG3 GLU A 5 6.693 4.494 -10.751 1.00 0.00 H new ATOM 98 N LEU A 6 2.269 4.056 -10.546 1.00 0.00 N ATOM 99 CA LEU A 6 1.301 3.074 -10.037 1.00 0.00 C ATOM 100 C LEU A 6 0.901 2.039 -11.106 1.00 0.00 C ATOM 101 O LEU A 6 1.106 0.834 -10.936 1.00 0.00 O ATOM 102 CB LEU A 6 0.055 3.855 -9.542 1.00 0.00 C ATOM 103 CG LEU A 6 -0.115 3.917 -8.023 1.00 0.00 C ATOM 104 CD1 LEU A 6 1.077 4.542 -7.300 1.00 0.00 C ATOM 105 CD2 LEU A 6 -1.350 4.762 -7.690 1.00 0.00 C ATOM 0 H LEU A 6 1.903 5.007 -10.509 1.00 0.00 H new ATOM 0 HA LEU A 6 1.757 2.510 -9.223 1.00 0.00 H new ATOM 0 HB2 LEU A 6 0.108 4.873 -9.927 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.835 3.397 -9.973 1.00 0.00 H new ATOM 0 HG LEU A 6 -0.211 2.886 -7.684 1.00 0.00 H new ATOM 0 HD11 LEU A 6 0.887 4.553 -6.227 1.00 0.00 H new ATOM 0 HD12 LEU A 6 1.974 3.957 -7.504 1.00 0.00 H new ATOM 0 HD13 LEU A 6 1.222 5.563 -7.653 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -1.477 4.810 -6.609 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -1.219 5.769 -8.085 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -2.233 4.308 -8.139 1.00 0.00 H new ATOM 117 N LEU A 7 0.340 2.525 -12.216 1.00 0.00 N ATOM 118 CA LEU A 7 -0.202 1.732 -13.329 1.00 0.00 C ATOM 119 C LEU A 7 0.831 0.786 -13.963 1.00 0.00 C ATOM 120 O LEU A 7 0.514 -0.376 -14.230 1.00 0.00 O ATOM 121 CB LEU A 7 -0.769 2.690 -14.396 1.00 0.00 C ATOM 122 CG LEU A 7 -2.096 3.371 -14.003 1.00 0.00 C ATOM 123 CD1 LEU A 7 -2.366 4.569 -14.914 1.00 0.00 C ATOM 124 CD2 LEU A 7 -3.279 2.417 -14.133 1.00 0.00 C ATOM 0 H LEU A 7 0.246 3.528 -12.373 1.00 0.00 H new ATOM 0 HA LEU A 7 -0.988 1.095 -12.923 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -0.027 3.461 -14.605 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -0.920 2.134 -15.321 1.00 0.00 H new ATOM 0 HG LEU A 7 -1.994 3.686 -12.964 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -3.306 5.041 -14.626 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -1.554 5.290 -14.818 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -2.431 4.232 -15.949 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -4.196 2.933 -13.847 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -3.360 2.077 -15.165 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -3.127 1.558 -13.479 1.00 0.00 H new ATOM 136 N LYS A 8 2.072 1.253 -14.170 1.00 0.00 N ATOM 137 CA LYS A 8 3.179 0.442 -14.712 1.00 0.00 C ATOM 138 C LYS A 8 3.488 -0.790 -13.850 1.00 0.00 C ATOM 139 O LYS A 8 3.847 -1.835 -14.393 1.00 0.00 O ATOM 140 CB LYS A 8 4.437 1.320 -14.874 1.00 0.00 C ATOM 141 CG LYS A 8 4.347 2.340 -16.028 1.00 0.00 C ATOM 142 CD LYS A 8 5.005 1.886 -17.341 1.00 0.00 C ATOM 143 CE LYS A 8 4.391 0.607 -17.925 1.00 0.00 C ATOM 144 NZ LYS A 8 5.005 0.258 -19.234 1.00 0.00 N ATOM 0 H LYS A 8 2.341 2.215 -13.964 1.00 0.00 H new ATOM 0 HA LYS A 8 2.864 0.068 -15.686 1.00 0.00 H new ATOM 0 HB2 LYS A 8 4.615 1.856 -13.942 1.00 0.00 H new ATOM 0 HB3 LYS A 8 5.299 0.674 -15.040 1.00 0.00 H new ATOM 0 HG2 LYS A 8 3.297 2.558 -16.221 1.00 0.00 H new ATOM 0 HG3 LYS A 8 4.813 3.272 -15.708 1.00 0.00 H new ATOM 0 HD2 LYS A 8 4.922 2.687 -18.075 1.00 0.00 H new ATOM 0 HD3 LYS A 8 6.068 1.722 -17.167 1.00 0.00 H new ATOM 0 HE2 LYS A 8 4.530 -0.217 -17.225 1.00 0.00 H new ATOM 0 HE3 LYS A 8 3.317 0.742 -18.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 4.568 -0.611 -19.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 4.851 1.035 -19.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 6.026 0.106 -19.109 1.00 0.00 H new ATOM 158 N GLY A 9 3.326 -0.686 -12.529 1.00 0.00 N ATOM 159 CA GLY A 9 3.711 -1.722 -11.577 1.00 0.00 C ATOM 160 C GLY A 9 2.696 -2.830 -11.347 1.00 0.00 C ATOM 161 O GLY A 9 3.082 -3.993 -11.261 1.00 0.00 O ATOM 0 H GLY A 9 2.916 0.136 -12.086 1.00 0.00 H new ATOM 0 HA2 GLY A 9 4.641 -2.175 -11.920 1.00 0.00 H new ATOM 0 HA3 GLY A 9 3.923 -1.246 -10.619 1.00 0.00 H new ATOM 165 N GLU A 10 1.401 -2.522 -11.311 1.00 0.00 N ATOM 166 CA GLU A 10 0.391 -3.602 -11.245 1.00 0.00 C ATOM 167 C GLU A 10 0.410 -4.517 -12.479 1.00 0.00 C ATOM 168 O GLU A 10 0.171 -5.720 -12.350 1.00 0.00 O ATOM 169 CB GLU A 10 -1.032 -3.084 -10.958 1.00 0.00 C ATOM 170 CG GLU A 10 -1.281 -3.005 -9.443 1.00 0.00 C ATOM 171 CD GLU A 10 -2.742 -3.158 -9.034 1.00 0.00 C ATOM 172 OE1 GLU A 10 -3.382 -4.165 -9.368 1.00 0.00 O ATOM 173 OE2 GLU A 10 -3.166 -2.939 -7.886 1.00 0.00 O ATOM 0 H GLU A 10 1.025 -1.574 -11.325 1.00 0.00 H new ATOM 0 HA GLU A 10 0.686 -4.210 -10.390 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -1.164 -2.099 -11.406 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -1.766 -3.745 -11.419 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -0.696 -3.781 -8.950 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -0.913 -2.047 -9.076 1.00 0.00 H new ATOM 180 N LEU A 11 0.787 -4.002 -13.657 1.00 0.00 N ATOM 181 CA LEU A 11 0.918 -4.835 -14.871 1.00 0.00 C ATOM 182 C LEU A 11 2.024 -5.899 -14.733 1.00 0.00 C ATOM 183 O LEU A 11 1.911 -7.007 -15.259 1.00 0.00 O ATOM 184 CB LEU A 11 1.018 -3.895 -16.098 1.00 0.00 C ATOM 185 CG LEU A 11 2.242 -4.062 -17.015 1.00 0.00 C ATOM 186 CD1 LEU A 11 2.061 -5.165 -18.062 1.00 0.00 C ATOM 187 CD2 LEU A 11 2.518 -2.761 -17.771 1.00 0.00 C ATOM 0 H LEU A 11 1.007 -3.016 -13.800 1.00 0.00 H new ATOM 0 HA LEU A 11 0.030 -5.449 -15.023 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.122 -4.033 -16.703 1.00 0.00 H new ATOM 0 HB3 LEU A 11 1.004 -2.866 -15.737 1.00 0.00 H new ATOM 0 HG LEU A 11 3.069 -4.331 -16.359 1.00 0.00 H new ATOM 0 HD11 LEU A 11 2.958 -5.233 -18.677 1.00 0.00 H new ATOM 0 HD12 LEU A 11 1.891 -6.118 -17.561 1.00 0.00 H new ATOM 0 HD13 LEU A 11 1.205 -4.930 -18.694 1.00 0.00 H new ATOM 0 HD21 LEU A 11 3.387 -2.892 -18.416 1.00 0.00 H new ATOM 0 HD22 LEU A 11 1.651 -2.502 -18.378 1.00 0.00 H new ATOM 0 HD23 LEU A 11 2.714 -1.960 -17.058 1.00 0.00 H new ATOM 199 N GLN A 12 3.043 -5.593 -13.933 1.00 0.00 N ATOM 200 CA GLN A 12 4.181 -6.445 -13.620 1.00 0.00 C ATOM 201 C GLN A 12 3.791 -7.659 -12.747 1.00 0.00 C ATOM 202 O GLN A 12 4.561 -8.613 -12.624 1.00 0.00 O ATOM 203 CB GLN A 12 5.265 -5.559 -12.971 1.00 0.00 C ATOM 204 CG GLN A 12 6.664 -6.179 -13.095 1.00 0.00 C ATOM 205 CD GLN A 12 7.790 -5.324 -12.511 1.00 0.00 C ATOM 206 OE1 GLN A 12 7.632 -4.170 -12.130 1.00 0.00 O ATOM 207 NE2 GLN A 12 8.986 -5.866 -12.419 1.00 0.00 N ATOM 0 H GLN A 12 3.097 -4.691 -13.460 1.00 0.00 H new ATOM 0 HA GLN A 12 4.575 -6.889 -14.534 1.00 0.00 H new ATOM 0 HB2 GLN A 12 5.261 -4.576 -13.443 1.00 0.00 H new ATOM 0 HB3 GLN A 12 5.027 -5.408 -11.918 1.00 0.00 H new ATOM 0 HG2 GLN A 12 6.664 -7.148 -12.596 1.00 0.00 H new ATOM 0 HG3 GLN A 12 6.874 -6.364 -14.149 1.00 0.00 H new ATOM 0 HE21 GLN A 12 9.137 -6.825 -12.731 1.00 0.00 H new ATOM 0 HE22 GLN A 12 9.762 -5.327 -12.036 1.00 0.00 H new ATOM 216 N GLY A 13 2.577 -7.654 -12.180 1.00 0.00 N ATOM 217 CA GLY A 13 2.037 -8.726 -11.345 1.00 0.00 C ATOM 218 C GLY A 13 1.017 -9.592 -12.080 1.00 0.00 C ATOM 219 O GLY A 13 0.994 -10.803 -11.848 1.00 0.00 O ATOM 0 H GLY A 13 1.926 -6.877 -12.296 1.00 0.00 H new ATOM 0 HA2 GLY A 13 2.856 -9.355 -10.995 1.00 0.00 H new ATOM 0 HA3 GLY A 13 1.569 -8.291 -10.462 1.00 0.00 H new ATOM 223 N ILE A 14 0.221 -9.026 -13.007 1.00 0.00 N ATOM 224 CA ILE A 14 -0.850 -9.806 -13.673 1.00 0.00 C ATOM 225 C ILE A 14 -0.272 -11.034 -14.398 1.00 0.00 C ATOM 226 O ILE A 14 -0.748 -12.159 -14.226 1.00 0.00 O ATOM 227 CB ILE A 14 -1.684 -8.957 -14.663 1.00 0.00 C ATOM 228 CG1 ILE A 14 -2.388 -7.783 -13.954 1.00 0.00 C ATOM 229 CG2 ILE A 14 -2.745 -9.827 -15.378 1.00 0.00 C ATOM 230 CD1 ILE A 14 -3.034 -6.792 -14.928 1.00 0.00 C ATOM 0 H ILE A 14 0.292 -8.054 -13.310 1.00 0.00 H new ATOM 0 HA ILE A 14 -1.520 -10.137 -12.880 1.00 0.00 H new ATOM 0 HB ILE A 14 -0.987 -8.554 -15.398 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -3.153 -8.177 -13.285 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -1.664 -7.254 -13.334 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -3.318 -9.208 -16.068 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -2.249 -10.624 -15.932 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -3.417 -10.263 -14.638 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -3.513 -5.990 -14.367 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -2.269 -6.372 -15.581 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -3.781 -7.309 -15.531 1.00 0.00 H new ATOM 242 N LYS A 15 0.784 -10.815 -15.192 1.00 0.00 N ATOM 243 CA LYS A 15 1.386 -11.846 -16.049 1.00 0.00 C ATOM 244 C LYS A 15 2.136 -12.935 -15.276 1.00 0.00 C ATOM 245 O LYS A 15 2.224 -14.066 -15.752 1.00 0.00 O ATOM 246 CB LYS A 15 2.276 -11.188 -17.124 1.00 0.00 C ATOM 247 CG LYS A 15 1.484 -10.839 -18.400 1.00 0.00 C ATOM 248 CD LYS A 15 1.137 -12.056 -19.282 1.00 0.00 C ATOM 249 CE LYS A 15 2.386 -12.655 -19.949 1.00 0.00 C ATOM 250 NZ LYS A 15 2.055 -13.854 -20.766 1.00 0.00 N ATOM 0 H LYS A 15 1.249 -9.910 -15.259 1.00 0.00 H new ATOM 0 HA LYS A 15 0.564 -12.368 -16.539 1.00 0.00 H new ATOM 0 HB2 LYS A 15 2.725 -10.282 -16.717 1.00 0.00 H new ATOM 0 HB3 LYS A 15 3.094 -11.862 -17.379 1.00 0.00 H new ATOM 0 HG2 LYS A 15 0.560 -10.336 -18.114 1.00 0.00 H new ATOM 0 HG3 LYS A 15 2.063 -10.130 -18.991 1.00 0.00 H new ATOM 0 HD2 LYS A 15 0.649 -12.818 -18.674 1.00 0.00 H new ATOM 0 HD3 LYS A 15 0.424 -11.756 -20.050 1.00 0.00 H new ATOM 0 HE2 LYS A 15 2.856 -11.902 -20.582 1.00 0.00 H new ATOM 0 HE3 LYS A 15 3.112 -12.926 -19.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 2.923 -14.229 -21.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 1.629 -14.582 -20.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 1.381 -13.590 -21.513 1.00 0.00 H new ATOM 264 N GLN A 16 2.632 -12.622 -14.078 1.00 0.00 N ATOM 265 CA GLN A 16 3.317 -13.566 -13.197 1.00 0.00 C ATOM 266 C GLN A 16 2.351 -14.483 -12.450 1.00 0.00 C ATOM 267 O GLN A 16 2.588 -15.686 -12.342 1.00 0.00 O ATOM 268 CB GLN A 16 4.174 -12.763 -12.206 1.00 0.00 C ATOM 269 CG GLN A 16 5.537 -12.337 -12.774 1.00 0.00 C ATOM 270 CD GLN A 16 6.568 -13.472 -12.779 1.00 0.00 C ATOM 271 OE1 GLN A 16 6.288 -14.628 -13.064 1.00 0.00 O ATOM 272 NE2 GLN A 16 7.811 -13.193 -12.448 1.00 0.00 N ATOM 0 H GLN A 16 2.566 -11.683 -13.685 1.00 0.00 H new ATOM 0 HA GLN A 16 3.941 -14.218 -13.807 1.00 0.00 H new ATOM 0 HB2 GLN A 16 3.623 -11.873 -11.900 1.00 0.00 H new ATOM 0 HB3 GLN A 16 4.335 -13.362 -11.310 1.00 0.00 H new ATOM 0 HG2 GLN A 16 5.402 -11.973 -13.792 1.00 0.00 H new ATOM 0 HG3 GLN A 16 5.925 -11.505 -12.187 1.00 0.00 H new ATOM 0 HE21 GLN A 16 8.072 -12.237 -12.206 1.00 0.00 H new ATOM 0 HE22 GLN A 16 8.513 -13.933 -12.434 1.00 0.00 H new ATOM 281 N TYR A 17 1.222 -13.944 -11.993 1.00 0.00 N ATOM 282 CA TYR A 17 0.192 -14.730 -11.316 1.00 0.00 C ATOM 283 C TYR A 17 -0.418 -15.824 -12.195 1.00 0.00 C ATOM 284 O TYR A 17 -0.728 -16.911 -11.704 1.00 0.00 O ATOM 285 CB TYR A 17 -0.918 -13.794 -10.838 1.00 0.00 C ATOM 286 CG TYR A 17 -0.662 -13.136 -9.497 1.00 0.00 C ATOM 287 CD1 TYR A 17 -0.287 -13.906 -8.376 1.00 0.00 C ATOM 288 CD2 TYR A 17 -0.846 -11.749 -9.360 1.00 0.00 C ATOM 289 CE1 TYR A 17 -0.060 -13.278 -7.139 1.00 0.00 C ATOM 290 CE2 TYR A 17 -0.615 -11.117 -8.124 1.00 0.00 C ATOM 291 CZ TYR A 17 -0.220 -11.882 -7.007 1.00 0.00 C ATOM 292 OH TYR A 17 -0.112 -11.301 -5.782 1.00 0.00 O ATOM 0 H TYR A 17 0.996 -12.953 -12.081 1.00 0.00 H new ATOM 0 HA TYR A 17 0.677 -15.232 -10.479 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -1.065 -13.015 -11.587 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -1.849 -14.358 -10.778 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -0.175 -14.976 -8.468 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -1.167 -11.164 -10.209 1.00 0.00 H new ATOM 0 HE1 TYR A 17 0.239 -13.867 -6.285 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -0.740 -10.048 -8.031 1.00 0.00 H new ATOM 0 HH TYR A 17 -0.342 -10.351 -5.849 1.00 0.00 H new ATOM 302 N ARG A 18 -0.560 -15.555 -13.496 1.00 0.00 N ATOM 303 CA ARG A 18 -1.121 -16.513 -14.461 1.00 0.00 C ATOM 304 C ARG A 18 -0.233 -17.750 -14.650 1.00 0.00 C ATOM 305 O ARG A 18 -0.726 -18.803 -15.050 1.00 0.00 O ATOM 306 CB ARG A 18 -1.448 -15.807 -15.789 1.00 0.00 C ATOM 307 CG ARG A 18 -2.905 -16.067 -16.202 1.00 0.00 C ATOM 308 CD ARG A 18 -3.273 -15.325 -17.492 1.00 0.00 C ATOM 309 NE ARG A 18 -4.683 -15.564 -17.858 1.00 0.00 N ATOM 310 CZ ARG A 18 -5.357 -14.995 -18.844 1.00 0.00 C ATOM 311 NH1 ARG A 18 -4.812 -14.123 -19.645 1.00 0.00 N ATOM 312 NH2 ARG A 18 -6.607 -15.298 -19.047 1.00 0.00 N ATOM 0 H ARG A 18 -0.289 -14.665 -13.914 1.00 0.00 H new ATOM 0 HA ARG A 18 -2.056 -16.893 -14.048 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -1.280 -14.735 -15.687 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -0.775 -16.162 -16.570 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -3.057 -17.137 -16.342 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -3.572 -15.753 -15.399 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -3.104 -14.256 -17.361 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -2.623 -15.654 -18.303 1.00 0.00 H new ATOM 0 HE ARG A 18 -5.192 -16.241 -17.290 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -3.835 -13.859 -19.522 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -5.363 -13.705 -20.395 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -7.072 -15.977 -18.444 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -7.122 -14.856 -19.809 1.00 0.00 H new ATOM 326 N GLU A 19 1.055 -17.644 -14.317 1.00 0.00 N ATOM 327 CA GLU A 19 1.996 -18.770 -14.302 1.00 0.00 C ATOM 328 C GLU A 19 1.858 -19.674 -13.062 1.00 0.00 C ATOM 329 O GLU A 19 2.114 -20.874 -13.130 1.00 0.00 O ATOM 330 CB GLU A 19 3.417 -18.193 -14.316 1.00 0.00 C ATOM 331 CG GLU A 19 4.392 -19.099 -15.079 1.00 0.00 C ATOM 332 CD GLU A 19 5.792 -18.465 -15.192 1.00 0.00 C ATOM 333 OE1 GLU A 19 6.033 -17.683 -16.145 1.00 0.00 O ATOM 334 OE2 GLU A 19 6.673 -18.771 -14.351 1.00 0.00 O ATOM 0 H GLU A 19 1.482 -16.759 -14.045 1.00 0.00 H new ATOM 0 HA GLU A 19 1.779 -19.388 -15.173 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.404 -17.205 -14.776 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.767 -18.063 -13.292 1.00 0.00 H new ATOM 0 HG2 GLU A 19 4.468 -20.060 -14.571 1.00 0.00 H new ATOM 0 HG3 GLU A 19 4.000 -19.296 -16.077 1.00 0.00 H new ATOM 341 N ALA A 20 1.479 -19.109 -11.914 1.00 0.00 N ATOM 342 CA ALA A 20 1.632 -19.749 -10.603 1.00 0.00 C ATOM 343 C ALA A 20 0.628 -20.884 -10.344 1.00 0.00 C ATOM 344 O ALA A 20 0.891 -21.773 -9.531 1.00 0.00 O ATOM 345 CB ALA A 20 1.552 -18.660 -9.526 1.00 0.00 C ATOM 0 H ALA A 20 1.052 -18.184 -11.866 1.00 0.00 H new ATOM 0 HA ALA A 20 2.605 -20.239 -10.575 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.663 -19.113 -8.541 1.00 0.00 H new ATOM 0 HB2 ALA A 20 2.349 -17.933 -9.683 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.586 -18.158 -9.587 1.00 0.00 H new ATOM 351 N LEU A 21 -0.500 -20.909 -11.061 1.00 0.00 N ATOM 352 CA LEU A 21 -1.478 -21.999 -10.993 1.00 0.00 C ATOM 353 C LEU A 21 -0.888 -23.329 -11.475 1.00 0.00 C ATOM 354 O LEU A 21 -1.359 -24.377 -11.049 1.00 0.00 O ATOM 355 CB LEU A 21 -2.755 -21.573 -11.734 1.00 0.00 C ATOM 356 CG LEU A 21 -3.994 -22.438 -11.414 1.00 0.00 C ATOM 357 CD1 LEU A 21 -5.252 -21.570 -11.345 1.00 0.00 C ATOM 358 CD2 LEU A 21 -4.247 -23.520 -12.468 1.00 0.00 C ATOM 0 H LEU A 21 -0.762 -20.167 -11.710 1.00 0.00 H new ATOM 0 HA LEU A 21 -1.750 -22.187 -9.955 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.977 -20.535 -11.485 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.568 -21.610 -12.807 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.785 -22.913 -10.455 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -6.115 -22.197 -11.119 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -5.134 -20.819 -10.563 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.405 -21.074 -12.304 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -5.129 -24.097 -12.192 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.409 -23.052 -13.439 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -3.383 -24.182 -12.524 1.00 0.00 H new ATOM 370 N GLU A 22 0.198 -23.312 -12.258 1.00 0.00 N ATOM 371 CA GLU A 22 0.887 -24.563 -12.642 1.00 0.00 C ATOM 372 C GLU A 22 1.561 -25.306 -11.479 1.00 0.00 C ATOM 373 O GLU A 22 1.743 -26.524 -11.551 1.00 0.00 O ATOM 374 CB GLU A 22 1.952 -24.287 -13.711 1.00 0.00 C ATOM 375 CG GLU A 22 1.457 -24.546 -15.139 1.00 0.00 C ATOM 376 CD GLU A 22 1.317 -26.055 -15.433 1.00 0.00 C ATOM 377 OE1 GLU A 22 0.258 -26.649 -15.117 1.00 0.00 O ATOM 378 OE2 GLU A 22 2.266 -26.658 -15.993 1.00 0.00 O ATOM 0 H GLU A 22 0.618 -22.463 -12.636 1.00 0.00 H new ATOM 0 HA GLU A 22 0.094 -25.207 -13.022 1.00 0.00 H new ATOM 0 HB2 GLU A 22 2.279 -23.250 -13.629 1.00 0.00 H new ATOM 0 HB3 GLU A 22 2.823 -24.912 -13.516 1.00 0.00 H new ATOM 0 HG2 GLU A 22 0.494 -24.057 -15.284 1.00 0.00 H new ATOM 0 HG3 GLU A 22 2.152 -24.100 -15.851 1.00 0.00 H new ATOM 385 N TYR A 23 1.905 -24.589 -10.410 1.00 0.00 N ATOM 386 CA TYR A 23 2.622 -25.121 -9.245 1.00 0.00 C ATOM 387 C TYR A 23 1.766 -25.109 -7.973 1.00 0.00 C ATOM 388 O TYR A 23 1.889 -26.014 -7.146 1.00 0.00 O ATOM 389 CB TYR A 23 3.922 -24.331 -9.045 1.00 0.00 C ATOM 390 CG TYR A 23 4.968 -24.602 -10.110 1.00 0.00 C ATOM 391 CD1 TYR A 23 5.786 -25.746 -10.004 1.00 0.00 C ATOM 392 CD2 TYR A 23 5.120 -23.729 -11.207 1.00 0.00 C ATOM 393 CE1 TYR A 23 6.755 -26.018 -10.989 1.00 0.00 C ATOM 394 CE2 TYR A 23 6.088 -23.998 -12.193 1.00 0.00 C ATOM 395 CZ TYR A 23 6.910 -25.143 -12.087 1.00 0.00 C ATOM 396 OH TYR A 23 7.847 -25.396 -13.043 1.00 0.00 O ATOM 0 H TYR A 23 1.688 -23.596 -10.325 1.00 0.00 H new ATOM 0 HA TYR A 23 2.858 -26.167 -9.441 1.00 0.00 H new ATOM 0 HB2 TYR A 23 3.692 -23.266 -9.036 1.00 0.00 H new ATOM 0 HB3 TYR A 23 4.339 -24.575 -8.068 1.00 0.00 H new ATOM 0 HD1 TYR A 23 5.669 -26.416 -9.165 1.00 0.00 H new ATOM 0 HD2 TYR A 23 4.493 -22.853 -11.291 1.00 0.00 H new ATOM 0 HE1 TYR A 23 7.379 -26.895 -10.905 1.00 0.00 H new ATOM 0 HE2 TYR A 23 6.203 -23.328 -13.032 1.00 0.00 H new ATOM 0 HH TYR A 23 7.816 -24.693 -13.725 1.00 0.00 H new ATOM 406 N THR A 24 0.856 -24.140 -7.833 1.00 0.00 N ATOM 407 CA THR A 24 -0.079 -24.075 -6.698 1.00 0.00 C ATOM 408 C THR A 24 -1.368 -24.866 -6.929 1.00 0.00 C ATOM 409 O THR A 24 -1.905 -25.421 -5.973 1.00 0.00 O ATOM 410 CB THR A 24 -0.467 -22.630 -6.348 1.00 0.00 C ATOM 411 OG1 THR A 24 -1.193 -22.069 -7.412 1.00 0.00 O ATOM 412 CG2 THR A 24 0.716 -21.714 -6.045 1.00 0.00 C ATOM 0 H THR A 24 0.744 -23.378 -8.501 1.00 0.00 H new ATOM 0 HA THR A 24 0.469 -24.527 -5.871 1.00 0.00 H new ATOM 0 HB THR A 24 -1.059 -22.698 -5.436 1.00 0.00 H new ATOM 0 HG1 THR A 24 -0.592 -21.910 -8.170 1.00 0.00 H new ATOM 0 HG21 THR A 24 0.351 -20.715 -5.808 1.00 0.00 H new ATOM 0 HG22 THR A 24 1.273 -22.108 -5.195 1.00 0.00 H new ATOM 0 HG23 THR A 24 1.370 -21.665 -6.915 1.00 0.00 H new ATOM 420 N HIS A 25 -1.884 -24.922 -8.165 1.00 0.00 N ATOM 421 CA HIS A 25 -3.230 -25.424 -8.521 1.00 0.00 C ATOM 422 C HIS A 25 -4.351 -24.986 -7.541 1.00 0.00 C ATOM 423 O HIS A 25 -5.233 -25.775 -7.197 1.00 0.00 O ATOM 424 CB HIS A 25 -3.155 -26.946 -8.779 1.00 0.00 C ATOM 425 CG HIS A 25 -2.515 -27.291 -10.105 1.00 0.00 C ATOM 426 ND1 HIS A 25 -3.190 -27.544 -11.288 1.00 0.00 N ATOM 427 CD2 HIS A 25 -1.174 -27.354 -10.377 1.00 0.00 C ATOM 428 CE1 HIS A 25 -2.278 -27.749 -12.259 1.00 0.00 C ATOM 429 NE2 HIS A 25 -1.045 -27.647 -11.723 1.00 0.00 N ATOM 0 H HIS A 25 -1.359 -24.608 -8.981 1.00 0.00 H new ATOM 0 HA HIS A 25 -3.541 -24.945 -9.450 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -2.589 -27.417 -7.975 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -4.161 -27.364 -8.748 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -0.369 -27.203 -9.673 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -2.498 -27.960 -13.295 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -0.165 -27.766 -12.225 1.00 0.00 H new ATOM 438 N ASN A 26 -4.314 -23.732 -7.064 1.00 0.00 N ATOM 439 CA ASN A 26 -5.211 -23.205 -6.018 1.00 0.00 C ATOM 440 C ASN A 26 -6.262 -22.200 -6.542 1.00 0.00 C ATOM 441 O ASN A 26 -5.985 -21.457 -7.489 1.00 0.00 O ATOM 442 CB ASN A 26 -4.358 -22.548 -4.910 1.00 0.00 C ATOM 443 CG ASN A 26 -4.164 -23.458 -3.716 1.00 0.00 C ATOM 444 OD1 ASN A 26 -4.878 -23.386 -2.729 1.00 0.00 O ATOM 445 ND2 ASN A 26 -3.207 -24.346 -3.765 1.00 0.00 N ATOM 0 H ASN A 26 -3.646 -23.039 -7.401 1.00 0.00 H new ATOM 0 HA ASN A 26 -5.777 -24.051 -5.628 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -3.385 -22.276 -5.318 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -4.837 -21.624 -4.586 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -3.057 -24.978 -2.979 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -2.610 -24.407 -4.590 1.00 0.00 H new ATOM 452 N PRO A 27 -7.430 -22.081 -5.869 1.00 0.00 N ATOM 453 CA PRO A 27 -8.456 -21.078 -6.178 1.00 0.00 C ATOM 454 C PRO A 27 -8.064 -19.650 -5.761 1.00 0.00 C ATOM 455 O PRO A 27 -8.737 -18.693 -6.140 1.00 0.00 O ATOM 456 CB PRO A 27 -9.707 -21.544 -5.423 1.00 0.00 C ATOM 457 CG PRO A 27 -9.130 -22.239 -4.193 1.00 0.00 C ATOM 458 CD PRO A 27 -7.870 -22.902 -4.743 1.00 0.00 C ATOM 0 HA PRO A 27 -8.609 -21.013 -7.255 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -10.348 -20.706 -5.149 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -10.311 -22.224 -6.024 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -8.900 -21.530 -3.398 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -9.824 -22.970 -3.778 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -7.096 -22.959 -3.978 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -8.077 -23.923 -5.064 1.00 0.00 H new ATOM 466 N VAL A 28 -6.980 -19.473 -4.995 1.00 0.00 N ATOM 467 CA VAL A 28 -6.507 -18.160 -4.533 1.00 0.00 C ATOM 468 C VAL A 28 -6.120 -17.245 -5.691 1.00 0.00 C ATOM 469 O VAL A 28 -6.446 -16.064 -5.691 1.00 0.00 O ATOM 470 CB VAL A 28 -5.359 -18.349 -3.521 1.00 0.00 C ATOM 471 CG1 VAL A 28 -3.963 -18.556 -4.133 1.00 0.00 C ATOM 472 CG2 VAL A 28 -5.336 -17.169 -2.562 1.00 0.00 C ATOM 0 H VAL A 28 -6.399 -20.247 -4.674 1.00 0.00 H new ATOM 0 HA VAL A 28 -7.329 -17.654 -4.026 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.577 -19.283 -3.003 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -3.230 -18.678 -3.335 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -3.969 -19.448 -4.760 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.699 -17.689 -4.738 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.526 -17.299 -1.845 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -5.180 -16.247 -3.123 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -6.286 -17.114 -2.030 1.00 0.00 H new ATOM 482 N LEU A 29 -5.497 -17.797 -6.732 1.00 0.00 N ATOM 483 CA LEU A 29 -5.095 -17.058 -7.927 1.00 0.00 C ATOM 484 C LEU A 29 -6.313 -16.603 -8.746 1.00 0.00 C ATOM 485 O LEU A 29 -6.314 -15.493 -9.279 1.00 0.00 O ATOM 486 CB LEU A 29 -4.152 -17.962 -8.731 1.00 0.00 C ATOM 487 CG LEU A 29 -2.837 -18.284 -8.000 1.00 0.00 C ATOM 488 CD1 LEU A 29 -2.092 -19.357 -8.773 1.00 0.00 C ATOM 489 CD2 LEU A 29 -1.917 -17.077 -7.860 1.00 0.00 C ATOM 0 H LEU A 29 -5.254 -18.787 -6.768 1.00 0.00 H new ATOM 0 HA LEU A 29 -4.575 -16.140 -7.652 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -4.666 -18.894 -8.964 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -3.921 -17.479 -9.681 1.00 0.00 H new ATOM 0 HG LEU A 29 -3.106 -18.615 -6.997 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -1.158 -19.592 -8.262 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -2.707 -20.255 -8.835 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -1.875 -18.996 -9.778 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -1.008 -17.371 -7.336 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -1.659 -16.699 -8.849 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -2.425 -16.296 -7.294 1.00 0.00 H new ATOM 501 N ALA A 30 -7.392 -17.396 -8.730 1.00 0.00 N ATOM 502 CA ALA A 30 -8.717 -17.036 -9.244 1.00 0.00 C ATOM 503 C ALA A 30 -9.452 -15.957 -8.404 1.00 0.00 C ATOM 504 O ALA A 30 -10.598 -15.620 -8.706 1.00 0.00 O ATOM 505 CB ALA A 30 -9.548 -18.319 -9.402 1.00 0.00 C ATOM 0 H ALA A 30 -7.364 -18.340 -8.344 1.00 0.00 H new ATOM 0 HA ALA A 30 -8.581 -16.561 -10.216 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -10.537 -18.067 -9.784 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -9.050 -18.991 -10.100 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -9.647 -18.810 -8.434 1.00 0.00 H new ATOM 511 N LYS A 31 -8.792 -15.379 -7.386 1.00 0.00 N ATOM 512 CA LYS A 31 -9.189 -14.155 -6.682 1.00 0.00 C ATOM 513 C LYS A 31 -8.120 -13.069 -6.783 1.00 0.00 C ATOM 514 O LYS A 31 -8.449 -11.939 -7.131 1.00 0.00 O ATOM 515 CB LYS A 31 -9.518 -14.439 -5.203 1.00 0.00 C ATOM 516 CG LYS A 31 -10.623 -15.487 -5.006 1.00 0.00 C ATOM 517 CD LYS A 31 -11.002 -15.598 -3.520 1.00 0.00 C ATOM 518 CE LYS A 31 -11.967 -16.760 -3.240 1.00 0.00 C ATOM 519 NZ LYS A 31 -13.289 -16.580 -3.900 1.00 0.00 N ATOM 0 H LYS A 31 -7.927 -15.774 -7.017 1.00 0.00 H new ATOM 0 HA LYS A 31 -10.090 -13.789 -7.174 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -8.614 -14.778 -4.698 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -9.822 -13.509 -4.723 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -11.501 -15.213 -5.592 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -10.284 -16.455 -5.374 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -10.097 -15.732 -2.927 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -11.460 -14.664 -3.195 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -11.517 -17.691 -3.584 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -12.113 -16.855 -2.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -13.901 -17.391 -3.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -13.734 -15.706 -3.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -13.157 -16.517 -4.930 1.00 0.00 H new ATOM 533 N ILE A 32 -6.847 -13.411 -6.562 1.00 0.00 N ATOM 534 CA ILE A 32 -5.739 -12.445 -6.550 1.00 0.00 C ATOM 535 C ILE A 32 -5.600 -11.765 -7.911 1.00 0.00 C ATOM 536 O ILE A 32 -5.853 -10.571 -8.030 1.00 0.00 O ATOM 537 CB ILE A 32 -4.402 -13.074 -6.109 1.00 0.00 C ATOM 538 CG1 ILE A 32 -4.406 -13.663 -4.684 1.00 0.00 C ATOM 539 CG2 ILE A 32 -3.332 -11.975 -6.149 1.00 0.00 C ATOM 540 CD1 ILE A 32 -3.296 -14.710 -4.518 1.00 0.00 C ATOM 0 H ILE A 32 -6.552 -14.371 -6.385 1.00 0.00 H new ATOM 0 HA ILE A 32 -5.988 -11.690 -5.804 1.00 0.00 H new ATOM 0 HB ILE A 32 -4.210 -13.902 -6.792 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -4.268 -12.864 -3.956 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -5.374 -14.119 -4.478 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -2.372 -12.390 -5.841 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -3.250 -11.584 -7.163 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -3.613 -11.169 -5.471 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -3.321 -15.109 -3.504 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -3.450 -15.520 -5.231 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -2.327 -14.245 -4.701 1.00 0.00 H new ATOM 552 N LEU A 33 -5.237 -12.518 -8.954 1.00 0.00 N ATOM 553 CA LEU A 33 -5.069 -11.941 -10.290 1.00 0.00 C ATOM 554 C LEU A 33 -6.415 -11.586 -10.919 1.00 0.00 C ATOM 555 O LEU A 33 -6.465 -10.701 -11.767 1.00 0.00 O ATOM 556 CB LEU A 33 -4.195 -12.852 -11.162 1.00 0.00 C ATOM 557 CG LEU A 33 -4.943 -13.905 -11.995 1.00 0.00 C ATOM 558 CD1 LEU A 33 -5.211 -13.452 -13.434 1.00 0.00 C ATOM 559 CD2 LEU A 33 -4.170 -15.221 -12.085 1.00 0.00 C ATOM 0 H LEU A 33 -5.055 -13.520 -8.900 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.535 -10.995 -10.205 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.615 -12.226 -11.840 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.483 -13.367 -10.516 1.00 0.00 H new ATOM 0 HG LEU A 33 -5.887 -14.044 -11.468 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.742 -14.239 -13.970 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.818 -12.547 -13.423 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.264 -13.248 -13.933 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.736 -15.935 -12.683 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -3.202 -15.043 -12.553 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -4.020 -15.624 -11.083 1.00 0.00 H new ATOM 571 N GLU A 34 -7.506 -12.223 -10.476 1.00 0.00 N ATOM 572 CA GLU A 34 -8.846 -11.796 -10.868 1.00 0.00 C ATOM 573 C GLU A 34 -9.085 -10.333 -10.456 1.00 0.00 C ATOM 574 O GLU A 34 -9.637 -9.560 -11.237 1.00 0.00 O ATOM 575 CB GLU A 34 -9.926 -12.750 -10.333 1.00 0.00 C ATOM 576 CG GLU A 34 -11.298 -12.420 -10.939 1.00 0.00 C ATOM 577 CD GLU A 34 -12.379 -13.448 -10.550 1.00 0.00 C ATOM 578 OE1 GLU A 34 -12.569 -14.445 -11.290 1.00 0.00 O ATOM 579 OE2 GLU A 34 -13.094 -13.225 -9.542 1.00 0.00 O ATOM 0 H GLU A 34 -7.484 -13.029 -9.851 1.00 0.00 H new ATOM 0 HA GLU A 34 -8.920 -11.842 -11.955 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -9.657 -13.779 -10.570 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -9.977 -12.676 -9.247 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -11.608 -11.429 -10.609 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -11.212 -12.382 -12.025 1.00 0.00 H new ATOM 586 N ASP A 35 -8.587 -9.915 -9.285 1.00 0.00 N ATOM 587 CA ASP A 35 -8.551 -8.508 -8.900 1.00 0.00 C ATOM 588 C ASP A 35 -7.511 -7.683 -9.658 1.00 0.00 C ATOM 589 O ASP A 35 -7.884 -6.655 -10.222 1.00 0.00 O ATOM 590 CB ASP A 35 -8.315 -8.381 -7.396 1.00 0.00 C ATOM 591 CG ASP A 35 -9.365 -9.021 -6.479 1.00 0.00 C ATOM 592 OD1 ASP A 35 -10.559 -9.118 -6.867 1.00 0.00 O ATOM 593 OD2 ASP A 35 -8.973 -9.364 -5.336 1.00 0.00 O ATOM 0 H ASP A 35 -8.200 -10.545 -8.583 1.00 0.00 H new ATOM 0 HA ASP A 35 -9.524 -8.098 -9.170 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -7.346 -8.823 -7.165 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -8.249 -7.321 -7.150 1.00 0.00 H new ATOM 598 N GLU A 36 -6.244 -8.106 -9.747 1.00 0.00 N ATOM 599 CA GLU A 36 -5.223 -7.352 -10.487 1.00 0.00 C ATOM 600 C GLU A 36 -5.609 -7.098 -11.961 1.00 0.00 C ATOM 601 O GLU A 36 -5.164 -6.111 -12.544 1.00 0.00 O ATOM 602 CB GLU A 36 -3.852 -8.046 -10.408 1.00 0.00 C ATOM 603 CG GLU A 36 -3.322 -8.457 -9.020 1.00 0.00 C ATOM 604 CD GLU A 36 -3.028 -7.323 -8.033 1.00 0.00 C ATOM 605 OE1 GLU A 36 -3.747 -6.295 -7.993 1.00 0.00 O ATOM 606 OE2 GLU A 36 -2.091 -7.429 -7.195 1.00 0.00 O ATOM 0 H GLU A 36 -5.901 -8.965 -9.317 1.00 0.00 H new ATOM 0 HA GLU A 36 -5.158 -6.378 -10.001 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -3.897 -8.943 -11.026 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -3.116 -7.382 -10.862 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -4.050 -9.126 -8.562 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -2.406 -9.031 -9.162 1.00 0.00 H new ATOM 613 N GLU A 37 -6.483 -7.926 -12.549 1.00 0.00 N ATOM 614 CA GLU A 37 -6.953 -7.764 -13.938 1.00 0.00 C ATOM 615 C GLU A 37 -7.863 -6.528 -14.072 1.00 0.00 C ATOM 616 O GLU A 37 -7.775 -5.771 -15.042 1.00 0.00 O ATOM 617 CB GLU A 37 -7.718 -9.026 -14.382 1.00 0.00 C ATOM 618 CG GLU A 37 -7.958 -9.086 -15.899 1.00 0.00 C ATOM 619 CD GLU A 37 -9.200 -9.933 -16.238 1.00 0.00 C ATOM 620 OE1 GLU A 37 -9.089 -11.180 -16.331 1.00 0.00 O ATOM 621 OE2 GLU A 37 -10.297 -9.353 -16.435 1.00 0.00 O ATOM 0 H GLU A 37 -6.888 -8.733 -12.074 1.00 0.00 H new ATOM 0 HA GLU A 37 -6.083 -7.621 -14.579 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -7.159 -9.909 -14.074 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -8.678 -9.061 -13.867 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -8.087 -8.076 -16.289 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -7.082 -9.508 -16.391 1.00 0.00 H new ATOM 628 N LYS A 38 -8.714 -6.313 -13.064 1.00 0.00 N ATOM 629 CA LYS A 38 -9.642 -5.179 -12.946 1.00 0.00 C ATOM 630 C LYS A 38 -8.932 -3.937 -12.454 1.00 0.00 C ATOM 631 O LYS A 38 -9.182 -2.860 -12.977 1.00 0.00 O ATOM 632 CB LYS A 38 -10.774 -5.536 -11.965 1.00 0.00 C ATOM 633 CG LYS A 38 -11.562 -6.779 -12.401 1.00 0.00 C ATOM 634 CD LYS A 38 -12.662 -7.207 -11.418 1.00 0.00 C ATOM 635 CE LYS A 38 -12.062 -7.631 -10.070 1.00 0.00 C ATOM 636 NZ LYS A 38 -13.036 -8.350 -9.211 1.00 0.00 N ATOM 0 H LYS A 38 -8.779 -6.952 -12.272 1.00 0.00 H new ATOM 0 HA LYS A 38 -10.052 -4.975 -13.935 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.351 -5.707 -10.975 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -11.456 -4.690 -11.879 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -12.015 -6.585 -13.373 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -10.867 -7.608 -12.533 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -13.360 -6.383 -11.266 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -13.232 -8.034 -11.842 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -11.198 -8.271 -10.247 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -11.702 -6.747 -9.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -12.580 -8.613 -8.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -13.850 -7.732 -9.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -13.361 -9.209 -9.699 1.00 0.00 H new ATOM 650 N HIS A 39 -8.030 -4.083 -11.485 1.00 0.00 N ATOM 651 CA HIS A 39 -7.377 -3.013 -10.757 1.00 0.00 C ATOM 652 C HIS A 39 -6.736 -1.943 -11.639 1.00 0.00 C ATOM 653 O HIS A 39 -6.962 -0.764 -11.392 1.00 0.00 O ATOM 654 CB HIS A 39 -6.323 -3.664 -9.886 1.00 0.00 C ATOM 655 CG HIS A 39 -6.773 -4.190 -8.559 1.00 0.00 C ATOM 656 ND1 HIS A 39 -5.878 -4.418 -7.516 1.00 0.00 N ATOM 657 CD2 HIS A 39 -8.040 -4.510 -8.156 1.00 0.00 C ATOM 658 CE1 HIS A 39 -6.635 -4.846 -6.491 1.00 0.00 C ATOM 659 NE2 HIS A 39 -7.933 -4.888 -6.835 1.00 0.00 N ATOM 0 H HIS A 39 -7.723 -5.005 -11.175 1.00 0.00 H new ATOM 0 HA HIS A 39 -8.135 -2.480 -10.182 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -5.882 -4.488 -10.446 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -5.530 -2.937 -9.712 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -8.940 -4.474 -8.751 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -6.251 -5.120 -5.520 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -8.706 -5.154 -6.224 1.00 0.00 H new ATOM 667 N ILE A 40 -5.966 -2.320 -12.665 1.00 0.00 N ATOM 668 CA ILE A 40 -5.323 -1.324 -13.547 1.00 0.00 C ATOM 669 C ILE A 40 -6.377 -0.424 -14.202 1.00 0.00 C ATOM 670 O ILE A 40 -6.286 0.801 -14.118 1.00 0.00 O ATOM 671 CB ILE A 40 -4.407 -1.986 -14.601 1.00 0.00 C ATOM 672 CG1 ILE A 40 -3.326 -2.817 -13.882 1.00 0.00 C ATOM 673 CG2 ILE A 40 -3.739 -0.934 -15.509 1.00 0.00 C ATOM 674 CD1 ILE A 40 -2.307 -3.449 -14.828 1.00 0.00 C ATOM 0 H ILE A 40 -5.771 -3.291 -12.908 1.00 0.00 H new ATOM 0 HA ILE A 40 -4.681 -0.700 -12.926 1.00 0.00 H new ATOM 0 HB ILE A 40 -5.018 -2.631 -15.232 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -2.802 -2.178 -13.172 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -3.810 -3.605 -13.305 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -3.102 -1.435 -16.238 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -4.507 -0.363 -16.030 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -3.135 -0.260 -14.902 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -1.578 -4.018 -14.250 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -2.819 -4.115 -15.522 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.795 -2.666 -15.387 1.00 0.00 H new ATOM 686 N GLU A 41 -7.417 -1.020 -14.789 1.00 0.00 N ATOM 687 CA GLU A 41 -8.532 -0.267 -15.369 1.00 0.00 C ATOM 688 C GLU A 41 -9.381 0.448 -14.308 1.00 0.00 C ATOM 689 O GLU A 41 -9.810 1.571 -14.542 1.00 0.00 O ATOM 690 CB GLU A 41 -9.380 -1.168 -16.281 1.00 0.00 C ATOM 691 CG GLU A 41 -8.594 -1.565 -17.540 1.00 0.00 C ATOM 692 CD GLU A 41 -9.472 -2.341 -18.542 1.00 0.00 C ATOM 693 OE1 GLU A 41 -10.290 -1.709 -19.255 1.00 0.00 O ATOM 694 OE2 GLU A 41 -9.337 -3.584 -18.646 1.00 0.00 O ATOM 0 H GLU A 41 -7.510 -2.032 -14.876 1.00 0.00 H new ATOM 0 HA GLU A 41 -8.104 0.524 -15.984 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -9.681 -2.064 -15.737 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -10.294 -0.647 -16.567 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -8.200 -0.669 -18.020 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -7.738 -2.178 -17.256 1.00 0.00 H new ATOM 701 N TRP A 42 -9.556 -0.126 -13.118 1.00 0.00 N ATOM 702 CA TRP A 42 -10.196 0.520 -11.959 1.00 0.00 C ATOM 703 C TRP A 42 -9.532 1.855 -11.539 1.00 0.00 C ATOM 704 O TRP A 42 -10.251 2.831 -11.333 1.00 0.00 O ATOM 705 CB TRP A 42 -10.273 -0.502 -10.810 1.00 0.00 C ATOM 706 CG TRP A 42 -11.401 -1.486 -10.833 1.00 0.00 C ATOM 707 CD1 TRP A 42 -12.344 -1.618 -11.794 1.00 0.00 C ATOM 708 CD2 TRP A 42 -11.731 -2.481 -9.814 1.00 0.00 C ATOM 709 NE1 TRP A 42 -13.251 -2.590 -11.425 1.00 0.00 N ATOM 710 CE2 TRP A 42 -12.923 -3.158 -10.212 1.00 0.00 C ATOM 711 CE3 TRP A 42 -11.146 -2.873 -8.590 1.00 0.00 C ATOM 712 CZ2 TRP A 42 -13.506 -4.170 -9.434 1.00 0.00 C ATOM 713 CZ3 TRP A 42 -11.711 -3.902 -7.811 1.00 0.00 C ATOM 714 CH2 TRP A 42 -12.892 -4.544 -8.225 1.00 0.00 C ATOM 0 H TRP A 42 -9.250 -1.079 -12.922 1.00 0.00 H new ATOM 0 HA TRP A 42 -11.205 0.818 -12.245 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -9.338 -1.063 -10.796 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -10.328 0.050 -9.872 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -12.381 -1.049 -12.711 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -14.064 -2.856 -11.981 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -10.251 -2.376 -8.246 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -14.414 -4.655 -9.759 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -11.234 -4.200 -6.889 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -13.327 -5.323 -7.616 1.00 0.00 H new ATOM 725 N LEU A 43 -8.195 1.958 -11.477 1.00 0.00 N ATOM 726 CA LEU A 43 -7.451 3.230 -11.274 1.00 0.00 C ATOM 727 C LEU A 43 -7.665 4.211 -12.448 1.00 0.00 C ATOM 728 O LEU A 43 -7.775 5.420 -12.247 1.00 0.00 O ATOM 729 CB LEU A 43 -5.942 2.932 -11.170 1.00 0.00 C ATOM 730 CG LEU A 43 -5.502 1.891 -10.123 1.00 0.00 C ATOM 731 CD1 LEU A 43 -4.128 1.362 -10.506 1.00 0.00 C ATOM 732 CD2 LEU A 43 -5.378 2.387 -8.688 1.00 0.00 C ATOM 0 H LEU A 43 -7.581 1.149 -11.567 1.00 0.00 H new ATOM 0 HA LEU A 43 -7.827 3.687 -10.358 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -5.596 2.596 -12.147 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -5.427 3.868 -10.954 1.00 0.00 H new ATOM 0 HG LEU A 43 -6.298 1.147 -10.135 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -3.805 0.624 -9.772 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -4.179 0.897 -11.491 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -3.415 2.186 -10.530 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -5.062 1.565 -8.045 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -4.640 3.188 -8.642 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -6.343 2.763 -8.348 1.00 0.00 H new ATOM 744 N GLU A 44 -7.707 3.697 -13.679 1.00 0.00 N ATOM 745 CA GLU A 44 -7.733 4.481 -14.923 1.00 0.00 C ATOM 746 C GLU A 44 -9.107 5.060 -15.260 1.00 0.00 C ATOM 747 O GLU A 44 -9.202 6.228 -15.622 1.00 0.00 O ATOM 748 CB GLU A 44 -7.279 3.583 -16.088 1.00 0.00 C ATOM 749 CG GLU A 44 -6.081 4.163 -16.846 1.00 0.00 C ATOM 750 CD GLU A 44 -5.674 3.265 -18.031 1.00 0.00 C ATOM 751 OE1 GLU A 44 -6.390 3.259 -19.063 1.00 0.00 O ATOM 752 OE2 GLU A 44 -4.627 2.579 -17.955 1.00 0.00 O ATOM 0 H GLU A 44 -7.725 2.691 -13.847 1.00 0.00 H new ATOM 0 HA GLU A 44 -7.061 5.326 -14.772 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -7.018 2.598 -15.702 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -8.110 3.444 -16.780 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -6.328 5.160 -17.212 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -5.237 4.273 -16.165 1.00 0.00 H new ATOM 759 N THR A 45 -10.174 4.278 -15.106 1.00 0.00 N ATOM 760 CA THR A 45 -11.568 4.695 -15.295 1.00 0.00 C ATOM 761 C THR A 45 -11.893 5.994 -14.548 1.00 0.00 C ATOM 762 O THR A 45 -12.644 6.833 -15.051 1.00 0.00 O ATOM 763 CB THR A 45 -12.519 3.556 -14.891 1.00 0.00 C ATOM 764 OG1 THR A 45 -12.477 2.523 -15.857 1.00 0.00 O ATOM 765 CG2 THR A 45 -13.986 3.957 -14.742 1.00 0.00 C ATOM 0 H THR A 45 -10.091 3.298 -14.836 1.00 0.00 H new ATOM 0 HA THR A 45 -11.712 4.909 -16.354 1.00 0.00 H new ATOM 0 HB THR A 45 -12.159 3.241 -13.912 1.00 0.00 H new ATOM 0 HG1 THR A 45 -11.684 1.967 -15.707 1.00 0.00 H new ATOM 0 HG21 THR A 45 -14.574 3.085 -14.455 1.00 0.00 H new ATOM 0 HG22 THR A 45 -14.077 4.725 -13.974 1.00 0.00 H new ATOM 0 HG23 THR A 45 -14.355 4.347 -15.691 1.00 0.00 H new ATOM 773 N ILE A 46 -11.276 6.200 -13.380 1.00 0.00 N ATOM 774 CA ILE A 46 -11.412 7.429 -12.581 1.00 0.00 C ATOM 775 C ILE A 46 -10.904 8.692 -13.290 1.00 0.00 C ATOM 776 O ILE A 46 -11.493 9.761 -13.117 1.00 0.00 O ATOM 777 CB ILE A 46 -10.715 7.259 -11.213 1.00 0.00 C ATOM 778 CG1 ILE A 46 -11.269 6.072 -10.400 1.00 0.00 C ATOM 779 CG2 ILE A 46 -10.784 8.523 -10.345 1.00 0.00 C ATOM 780 CD1 ILE A 46 -12.795 6.008 -10.230 1.00 0.00 C ATOM 0 H ILE A 46 -10.658 5.509 -12.954 1.00 0.00 H new ATOM 0 HA ILE A 46 -12.482 7.578 -12.435 1.00 0.00 H new ATOM 0 HB ILE A 46 -9.673 7.060 -11.465 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -10.940 5.149 -10.877 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -10.816 6.097 -9.409 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -10.277 8.342 -9.397 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -10.297 9.348 -10.865 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -11.827 8.778 -10.156 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -13.059 5.130 -9.641 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -13.142 6.906 -9.719 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -13.268 5.943 -11.210 1.00 0.00 H new ATOM 792 N LEU A 47 -9.830 8.595 -14.082 1.00 0.00 N ATOM 793 CA LEU A 47 -9.133 9.778 -14.613 1.00 0.00 C ATOM 794 C LEU A 47 -9.966 10.638 -15.591 1.00 0.00 C ATOM 795 O LEU A 47 -9.645 11.811 -15.800 1.00 0.00 O ATOM 796 CB LEU A 47 -7.727 9.404 -15.131 1.00 0.00 C ATOM 797 CG LEU A 47 -7.595 8.865 -16.574 1.00 0.00 C ATOM 798 CD1 LEU A 47 -7.509 9.964 -17.636 1.00 0.00 C ATOM 799 CD2 LEU A 47 -6.301 8.054 -16.687 1.00 0.00 C ATOM 0 H LEU A 47 -9.421 7.707 -14.372 1.00 0.00 H new ATOM 0 HA LEU A 47 -8.992 10.456 -13.771 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -7.096 10.289 -15.048 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -7.314 8.654 -14.457 1.00 0.00 H new ATOM 0 HG LEU A 47 -8.493 8.274 -16.756 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -7.418 9.510 -18.623 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -8.410 10.576 -17.600 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -6.637 10.589 -17.443 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -6.200 7.670 -17.702 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -5.449 8.693 -16.454 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -6.331 7.221 -15.985 1.00 0.00 H new ATOM 811 N GLY A 48 -11.047 10.086 -16.157 1.00 0.00 N ATOM 812 CA GLY A 48 -11.989 10.821 -17.015 1.00 0.00 C ATOM 813 C GLY A 48 -13.231 10.037 -17.467 1.00 0.00 C ATOM 814 O GLY A 48 -14.248 10.634 -17.824 1.00 0.00 O ATOM 0 H GLY A 48 -11.296 9.105 -16.031 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -12.319 11.712 -16.481 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -11.454 11.161 -17.902 1.00 0.00 H new HETATM 818 N NH2 A 49 -13.210 8.709 -17.441 1.00 0.00 N TER 821 NH2 A 49 HETATM 822 C ACE B 0 10.254 -20.177 -4.962 1.00 0.00 C HETATM 823 O ACE B 0 9.443 -19.452 -4.395 1.00 0.00 O HETATM 824 CH3 ACE B 0 10.008 -21.662 -5.069 1.00 0.00 C HETATM 0 H1 ACE B 0 9.966 -21.949 -6.120 1.00 0.00 H new HETATM 0 H2 ACE B 0 10.818 -22.201 -4.578 1.00 0.00 H new HETATM 0 H3 ACE B 0 9.062 -21.910 -4.587 1.00 0.00 H new ATOM 828 N ASP B 1 11.372 -19.720 -5.525 1.00 0.00 N ATOM 829 CA ASP B 1 11.823 -18.315 -5.481 1.00 0.00 C ATOM 830 C ASP B 1 10.803 -17.307 -6.043 1.00 0.00 C ATOM 831 O ASP B 1 10.739 -16.154 -5.615 1.00 0.00 O ATOM 832 CB ASP B 1 13.145 -18.211 -6.253 1.00 0.00 C ATOM 833 CG ASP B 1 13.853 -16.863 -6.030 1.00 0.00 C ATOM 834 OD1 ASP B 1 14.281 -16.586 -4.882 1.00 0.00 O ATOM 835 OD2 ASP B 1 14.018 -16.096 -7.008 1.00 0.00 O ATOM 0 H ASP B 1 12.011 -20.326 -6.039 1.00 0.00 H new ATOM 0 HA ASP B 1 11.947 -18.047 -4.432 1.00 0.00 H new ATOM 0 HB2 ASP B 1 13.807 -19.021 -5.945 1.00 0.00 H new ATOM 0 HB3 ASP B 1 12.952 -18.345 -7.317 1.00 0.00 H new ATOM 840 N TYR B 2 9.960 -17.766 -6.971 1.00 0.00 N ATOM 841 CA TYR B 2 8.845 -16.997 -7.535 1.00 0.00 C ATOM 842 C TYR B 2 7.882 -16.445 -6.473 1.00 0.00 C ATOM 843 O TYR B 2 7.378 -15.334 -6.619 1.00 0.00 O ATOM 844 CB TYR B 2 8.085 -17.847 -8.562 1.00 0.00 C ATOM 845 CG TYR B 2 7.174 -18.934 -8.014 1.00 0.00 C ATOM 846 CD1 TYR B 2 7.691 -20.206 -7.696 1.00 0.00 C ATOM 847 CD2 TYR B 2 5.797 -18.678 -7.852 1.00 0.00 C ATOM 848 CE1 TYR B 2 6.839 -21.213 -7.199 1.00 0.00 C ATOM 849 CE2 TYR B 2 4.941 -19.684 -7.365 1.00 0.00 C ATOM 850 CZ TYR B 2 5.461 -20.953 -7.029 1.00 0.00 C ATOM 851 OH TYR B 2 4.632 -21.915 -6.538 1.00 0.00 O ATOM 0 H TYR B 2 10.035 -18.705 -7.361 1.00 0.00 H new ATOM 0 HA TYR B 2 9.283 -16.128 -8.026 1.00 0.00 H new ATOM 0 HB2 TYR B 2 7.483 -17.178 -9.178 1.00 0.00 H new ATOM 0 HB3 TYR B 2 8.815 -18.316 -9.221 1.00 0.00 H new ATOM 0 HD1 TYR B 2 8.743 -20.410 -7.833 1.00 0.00 H new ATOM 0 HD2 TYR B 2 5.397 -17.706 -8.102 1.00 0.00 H new ATOM 0 HE1 TYR B 2 7.240 -22.184 -6.948 1.00 0.00 H new ATOM 0 HE2 TYR B 2 3.886 -19.485 -7.248 1.00 0.00 H new ATOM 0 HH TYR B 2 3.718 -21.564 -6.486 1.00 0.00 H new ATOM 861 N LEU B 3 7.656 -17.186 -5.386 1.00 0.00 N ATOM 862 CA LEU B 3 6.806 -16.768 -4.262 1.00 0.00 C ATOM 863 C LEU B 3 7.371 -15.535 -3.550 1.00 0.00 C ATOM 864 O LEU B 3 6.643 -14.571 -3.327 1.00 0.00 O ATOM 865 CB LEU B 3 6.629 -17.915 -3.251 1.00 0.00 C ATOM 866 CG LEU B 3 5.867 -19.125 -3.813 1.00 0.00 C ATOM 867 CD1 LEU B 3 5.928 -20.286 -2.820 1.00 0.00 C ATOM 868 CD2 LEU B 3 4.392 -18.807 -4.082 1.00 0.00 C ATOM 0 H LEU B 3 8.065 -18.111 -5.257 1.00 0.00 H new ATOM 0 HA LEU B 3 5.834 -16.506 -4.679 1.00 0.00 H new ATOM 0 HB2 LEU B 3 7.612 -18.242 -2.911 1.00 0.00 H new ATOM 0 HB3 LEU B 3 6.099 -17.538 -2.377 1.00 0.00 H new ATOM 0 HG LEU B 3 6.346 -19.390 -4.756 1.00 0.00 H new ATOM 0 HD11 LEU B 3 5.386 -21.140 -3.225 1.00 0.00 H new ATOM 0 HD12 LEU B 3 6.968 -20.564 -2.649 1.00 0.00 H new ATOM 0 HD13 LEU B 3 5.474 -19.982 -1.877 1.00 0.00 H new ATOM 0 HD21 LEU B 3 3.895 -19.693 -4.478 1.00 0.00 H new ATOM 0 HD22 LEU B 3 3.909 -18.506 -3.152 1.00 0.00 H new ATOM 0 HD23 LEU B 3 4.321 -17.996 -4.807 1.00 0.00 H new ATOM 880 N ARG B 4 8.676 -15.529 -3.247 1.00 0.00 N ATOM 881 CA ARG B 4 9.381 -14.361 -2.684 1.00 0.00 C ATOM 882 C ARG B 4 9.250 -13.138 -3.597 1.00 0.00 C ATOM 883 O ARG B 4 8.996 -12.034 -3.117 1.00 0.00 O ATOM 884 CB ARG B 4 10.854 -14.731 -2.427 1.00 0.00 C ATOM 885 CG ARG B 4 11.675 -13.586 -1.808 1.00 0.00 C ATOM 886 CD ARG B 4 13.135 -14.017 -1.623 1.00 0.00 C ATOM 887 NE ARG B 4 13.971 -12.903 -1.133 1.00 0.00 N ATOM 888 CZ ARG B 4 15.290 -12.817 -1.198 1.00 0.00 C ATOM 889 NH1 ARG B 4 16.023 -13.765 -1.710 1.00 0.00 N ATOM 890 NH2 ARG B 4 15.906 -11.763 -0.742 1.00 0.00 N ATOM 0 H ARG B 4 9.280 -16.339 -3.385 1.00 0.00 H new ATOM 0 HA ARG B 4 8.921 -14.088 -1.735 1.00 0.00 H new ATOM 0 HB2 ARG B 4 10.893 -15.595 -1.764 1.00 0.00 H new ATOM 0 HB3 ARG B 4 11.315 -15.030 -3.368 1.00 0.00 H new ATOM 0 HG2 ARG B 4 11.627 -12.707 -2.450 1.00 0.00 H new ATOM 0 HG3 ARG B 4 11.248 -13.302 -0.846 1.00 0.00 H new ATOM 0 HD2 ARG B 4 13.184 -14.847 -0.918 1.00 0.00 H new ATOM 0 HD3 ARG B 4 13.531 -14.380 -2.571 1.00 0.00 H new ATOM 0 HE ARG B 4 13.482 -12.120 -0.700 1.00 0.00 H new ATOM 0 HH11 ARG B 4 15.582 -14.608 -2.078 1.00 0.00 H new ATOM 0 HH12 ARG B 4 17.037 -13.664 -1.743 1.00 0.00 H new ATOM 0 HH21 ARG B 4 15.371 -10.997 -0.332 1.00 0.00 H new ATOM 0 HH22 ARG B 4 16.923 -11.704 -0.795 1.00 0.00 H new ATOM 904 N GLU B 5 9.375 -13.345 -4.908 1.00 0.00 N ATOM 905 CA GLU B 5 9.232 -12.282 -5.914 1.00 0.00 C ATOM 906 C GLU B 5 7.786 -11.743 -5.999 1.00 0.00 C ATOM 907 O GLU B 5 7.582 -10.536 -6.147 1.00 0.00 O ATOM 908 CB GLU B 5 9.733 -12.824 -7.261 1.00 0.00 C ATOM 909 CG GLU B 5 9.744 -11.806 -8.408 1.00 0.00 C ATOM 910 CD GLU B 5 10.649 -10.578 -8.161 1.00 0.00 C ATOM 911 OE1 GLU B 5 11.719 -10.706 -7.515 1.00 0.00 O ATOM 912 OE2 GLU B 5 10.313 -9.472 -8.649 1.00 0.00 O ATOM 0 H GLU B 5 9.580 -14.260 -5.309 1.00 0.00 H new ATOM 0 HA GLU B 5 9.837 -11.424 -5.621 1.00 0.00 H new ATOM 0 HB2 GLU B 5 10.744 -13.208 -7.127 1.00 0.00 H new ATOM 0 HB3 GLU B 5 9.107 -13.668 -7.551 1.00 0.00 H new ATOM 0 HG2 GLU B 5 10.072 -12.307 -9.319 1.00 0.00 H new ATOM 0 HG3 GLU B 5 8.725 -11.462 -8.582 1.00 0.00 H new ATOM 919 N LEU B 6 6.786 -12.618 -5.851 1.00 0.00 N ATOM 920 CA LEU B 6 5.357 -12.290 -5.776 1.00 0.00 C ATOM 921 C LEU B 6 5.000 -11.460 -4.531 1.00 0.00 C ATOM 922 O LEU B 6 4.385 -10.398 -4.637 1.00 0.00 O ATOM 923 CB LEU B 6 4.556 -13.613 -5.777 1.00 0.00 C ATOM 924 CG LEU B 6 3.771 -13.851 -7.067 1.00 0.00 C ATOM 925 CD1 LEU B 6 4.648 -13.919 -8.320 1.00 0.00 C ATOM 926 CD2 LEU B 6 2.999 -15.168 -6.970 1.00 0.00 C ATOM 0 H LEU B 6 6.958 -13.621 -5.777 1.00 0.00 H new ATOM 0 HA LEU B 6 5.102 -11.675 -6.639 1.00 0.00 H new ATOM 0 HB2 LEU B 6 5.243 -14.444 -5.621 1.00 0.00 H new ATOM 0 HB3 LEU B 6 3.863 -13.610 -4.935 1.00 0.00 H new ATOM 0 HG LEU B 6 3.106 -12.994 -7.169 1.00 0.00 H new ATOM 0 HD11 LEU B 6 4.020 -14.090 -9.195 1.00 0.00 H new ATOM 0 HD12 LEU B 6 5.187 -12.979 -8.438 1.00 0.00 H new ATOM 0 HD13 LEU B 6 5.362 -14.737 -8.220 1.00 0.00 H new ATOM 0 HD21 LEU B 6 2.442 -15.332 -7.892 1.00 0.00 H new ATOM 0 HD22 LEU B 6 3.699 -15.990 -6.818 1.00 0.00 H new ATOM 0 HD23 LEU B 6 2.306 -15.122 -6.130 1.00 0.00 H new ATOM 938 N LEU B 7 5.384 -11.962 -3.355 1.00 0.00 N ATOM 939 CA LEU B 7 5.064 -11.384 -2.043 1.00 0.00 C ATOM 940 C LEU B 7 5.567 -9.931 -1.880 1.00 0.00 C ATOM 941 O LEU B 7 4.840 -9.059 -1.396 1.00 0.00 O ATOM 942 CB LEU B 7 5.707 -12.239 -0.926 1.00 0.00 C ATOM 943 CG LEU B 7 5.051 -13.602 -0.653 1.00 0.00 C ATOM 944 CD1 LEU B 7 5.918 -14.424 0.301 1.00 0.00 C ATOM 945 CD2 LEU B 7 3.663 -13.472 -0.027 1.00 0.00 C ATOM 0 H LEU B 7 5.945 -12.811 -3.285 1.00 0.00 H new ATOM 0 HA LEU B 7 3.977 -11.377 -1.969 1.00 0.00 H new ATOM 0 HB2 LEU B 7 6.753 -12.407 -1.182 1.00 0.00 H new ATOM 0 HB3 LEU B 7 5.694 -11.661 -0.002 1.00 0.00 H new ATOM 0 HG LEU B 7 4.954 -14.093 -1.621 1.00 0.00 H new ATOM 0 HD11 LEU B 7 5.442 -15.387 0.486 1.00 0.00 H new ATOM 0 HD12 LEU B 7 6.899 -14.584 -0.146 1.00 0.00 H new ATOM 0 HD13 LEU B 7 6.031 -13.888 1.243 1.00 0.00 H new ATOM 0 HD21 LEU B 7 3.247 -14.465 0.144 1.00 0.00 H new ATOM 0 HD22 LEU B 7 3.740 -12.942 0.922 1.00 0.00 H new ATOM 0 HD23 LEU B 7 3.011 -12.916 -0.701 1.00 0.00 H new ATOM 957 N LYS B 8 6.833 -9.674 -2.244 1.00 0.00 N ATOM 958 CA LYS B 8 7.618 -8.495 -1.872 1.00 0.00 C ATOM 959 C LYS B 8 7.509 -7.392 -2.928 1.00 0.00 C ATOM 960 O LYS B 8 8.248 -7.368 -3.915 1.00 0.00 O ATOM 961 CB LYS B 8 9.054 -8.986 -1.660 1.00 0.00 C ATOM 962 CG LYS B 8 10.013 -7.904 -1.157 1.00 0.00 C ATOM 963 CD LYS B 8 11.415 -8.514 -1.034 1.00 0.00 C ATOM 964 CE LYS B 8 12.468 -7.429 -0.827 1.00 0.00 C ATOM 965 NZ LYS B 8 12.442 -6.855 0.546 1.00 0.00 N ATOM 0 H LYS B 8 7.360 -10.317 -2.835 1.00 0.00 H new ATOM 0 HA LYS B 8 7.243 -8.035 -0.957 1.00 0.00 H new ATOM 0 HB2 LYS B 8 9.044 -9.809 -0.946 1.00 0.00 H new ATOM 0 HB3 LYS B 8 9.434 -9.385 -2.601 1.00 0.00 H new ATOM 0 HG2 LYS B 8 10.027 -7.060 -1.846 1.00 0.00 H new ATOM 0 HG3 LYS B 8 9.680 -7.522 -0.192 1.00 0.00 H new ATOM 0 HD2 LYS B 8 11.439 -9.213 -0.198 1.00 0.00 H new ATOM 0 HD3 LYS B 8 11.647 -9.084 -1.933 1.00 0.00 H new ATOM 0 HE2 LYS B 8 13.456 -7.846 -1.023 1.00 0.00 H new ATOM 0 HE3 LYS B 8 12.309 -6.631 -1.553 1.00 0.00 H new ATOM 0 HZ1 LYS B 8 13.177 -6.124 0.631 1.00 0.00 H new ATOM 0 HZ2 LYS B 8 11.510 -6.431 0.728 1.00 0.00 H new ATOM 0 HZ3 LYS B 8 12.621 -7.608 1.241 1.00 0.00 H new ATOM 979 N GLY B 9 6.554 -6.491 -2.711 1.00 0.00 N ATOM 980 CA GLY B 9 6.278 -5.333 -3.557 1.00 0.00 C ATOM 981 C GLY B 9 4.803 -4.992 -3.717 1.00 0.00 C ATOM 982 O GLY B 9 4.434 -3.918 -4.177 1.00 0.00 O ATOM 0 H GLY B 9 5.926 -6.550 -1.909 1.00 0.00 H new ATOM 0 HA2 GLY B 9 6.793 -4.467 -3.141 1.00 0.00 H new ATOM 0 HA3 GLY B 9 6.703 -5.513 -4.544 1.00 0.00 H new ATOM 986 N GLU B 10 3.937 -5.874 -3.246 1.00 0.00 N ATOM 987 CA GLU B 10 2.515 -5.607 -3.054 1.00 0.00 C ATOM 988 C GLU B 10 2.310 -4.416 -2.070 1.00 0.00 C ATOM 989 O GLU B 10 1.525 -3.514 -2.348 1.00 0.00 O ATOM 990 CB GLU B 10 1.916 -6.981 -2.662 1.00 0.00 C ATOM 991 CG GLU B 10 1.774 -7.961 -3.845 1.00 0.00 C ATOM 992 CD GLU B 10 0.525 -7.713 -4.693 1.00 0.00 C ATOM 993 OE1 GLU B 10 0.341 -6.789 -5.507 1.00 0.00 O ATOM 994 OE2 GLU B 10 -0.552 -8.338 -4.620 1.00 0.00 O ATOM 0 H GLU B 10 4.207 -6.821 -2.979 1.00 0.00 H new ATOM 0 HA GLU B 10 1.981 -5.250 -3.935 1.00 0.00 H new ATOM 0 HB2 GLU B 10 2.547 -7.437 -1.899 1.00 0.00 H new ATOM 0 HB3 GLU B 10 0.935 -6.824 -2.213 1.00 0.00 H new ATOM 0 HG2 GLU B 10 2.657 -7.883 -4.480 1.00 0.00 H new ATOM 0 HG3 GLU B 10 1.747 -8.981 -3.461 1.00 0.00 H new ATOM 1001 N LEU B 11 3.141 -4.286 -1.023 1.00 0.00 N ATOM 1002 CA LEU B 11 3.365 -3.126 -0.136 1.00 0.00 C ATOM 1003 C LEU B 11 4.061 -1.901 -0.737 1.00 0.00 C ATOM 1004 O LEU B 11 3.866 -0.794 -0.233 1.00 0.00 O ATOM 1005 CB LEU B 11 4.106 -3.697 1.072 1.00 0.00 C ATOM 1006 CG LEU B 11 5.514 -4.203 0.716 1.00 0.00 C ATOM 1007 CD1 LEU B 11 6.576 -3.238 1.227 1.00 0.00 C ATOM 1008 CD2 LEU B 11 5.720 -5.607 1.271 1.00 0.00 C ATOM 0 H LEU B 11 3.734 -5.068 -0.746 1.00 0.00 H new ATOM 0 HA LEU B 11 2.399 -2.686 0.112 1.00 0.00 H new ATOM 0 HB2 LEU B 11 4.184 -2.930 1.842 1.00 0.00 H new ATOM 0 HB3 LEU B 11 3.526 -4.517 1.496 1.00 0.00 H new ATOM 0 HG LEU B 11 5.611 -4.251 -0.369 1.00 0.00 H new ATOM 0 HD11 LEU B 11 7.565 -3.614 0.965 1.00 0.00 H new ATOM 0 HD12 LEU B 11 6.427 -2.259 0.771 1.00 0.00 H new ATOM 0 HD13 LEU B 11 6.496 -3.150 2.311 1.00 0.00 H new ATOM 0 HD21 LEU B 11 6.720 -5.957 1.014 1.00 0.00 H new ATOM 0 HD22 LEU B 11 5.609 -5.590 2.355 1.00 0.00 H new ATOM 0 HD23 LEU B 11 4.978 -6.280 0.841 1.00 0.00 H new ATOM 1020 N GLN B 12 4.780 -2.062 -1.847 1.00 0.00 N ATOM 1021 CA GLN B 12 5.176 -0.954 -2.709 1.00 0.00 C ATOM 1022 C GLN B 12 3.972 -0.388 -3.499 1.00 0.00 C ATOM 1023 O GLN B 12 4.084 0.688 -4.091 1.00 0.00 O ATOM 1024 CB GLN B 12 6.369 -1.358 -3.598 1.00 0.00 C ATOM 1025 CG GLN B 12 7.679 -1.467 -2.802 1.00 0.00 C ATOM 1026 CD GLN B 12 8.860 -1.797 -3.714 1.00 0.00 C ATOM 1027 OE1 GLN B 12 9.208 -2.951 -3.932 1.00 0.00 O ATOM 1028 NE2 GLN B 12 9.515 -0.811 -4.292 1.00 0.00 N ATOM 0 H GLN B 12 5.105 -2.972 -2.174 1.00 0.00 H new ATOM 0 HA GLN B 12 5.523 -0.130 -2.085 1.00 0.00 H new ATOM 0 HB2 GLN B 12 6.156 -2.314 -4.075 1.00 0.00 H new ATOM 0 HB3 GLN B 12 6.491 -0.624 -4.395 1.00 0.00 H new ATOM 0 HG2 GLN B 12 7.870 -0.528 -2.282 1.00 0.00 H new ATOM 0 HG3 GLN B 12 7.580 -2.239 -2.039 1.00 0.00 H new ATOM 0 HE21 GLN B 12 9.237 0.155 -4.120 1.00 0.00 H new ATOM 0 HE22 GLN B 12 10.300 -1.014 -4.911 1.00 0.00 H new ATOM 1037 N GLY B 13 2.802 -1.048 -3.437 1.00 0.00 N ATOM 1038 CA GLY B 13 1.503 -0.503 -3.842 1.00 0.00 C ATOM 1039 C GLY B 13 0.650 -0.062 -2.644 1.00 0.00 C ATOM 1040 O GLY B 13 0.210 1.085 -2.622 1.00 0.00 O ATOM 0 H GLY B 13 2.737 -2.006 -3.092 1.00 0.00 H new ATOM 0 HA2 GLY B 13 1.661 0.348 -4.504 1.00 0.00 H new ATOM 0 HA3 GLY B 13 0.959 -1.255 -4.413 1.00 0.00 H new ATOM 1044 N ILE B 14 0.465 -0.912 -1.617 1.00 0.00 N ATOM 1045 CA ILE B 14 -0.438 -0.652 -0.463 1.00 0.00 C ATOM 1046 C ILE B 14 -0.193 0.731 0.168 1.00 0.00 C ATOM 1047 O ILE B 14 -1.130 1.520 0.319 1.00 0.00 O ATOM 1048 CB ILE B 14 -0.328 -1.762 0.617 1.00 0.00 C ATOM 1049 CG1 ILE B 14 -0.766 -3.145 0.087 1.00 0.00 C ATOM 1050 CG2 ILE B 14 -1.173 -1.443 1.867 1.00 0.00 C ATOM 1051 CD1 ILE B 14 -0.176 -4.325 0.871 1.00 0.00 C ATOM 0 H ILE B 14 0.941 -1.812 -1.558 1.00 0.00 H new ATOM 0 HA ILE B 14 -1.452 -0.662 -0.863 1.00 0.00 H new ATOM 0 HB ILE B 14 0.728 -1.793 0.884 1.00 0.00 H new ATOM 0 HG12 ILE B 14 -1.854 -3.208 0.118 1.00 0.00 H new ATOM 0 HG13 ILE B 14 -0.472 -3.233 -0.959 1.00 0.00 H new ATOM 0 HG21 ILE B 14 -1.065 -2.247 2.594 1.00 0.00 H new ATOM 0 HG22 ILE B 14 -0.831 -0.507 2.308 1.00 0.00 H new ATOM 0 HG23 ILE B 14 -2.221 -1.349 1.583 1.00 0.00 H new ATOM 0 HD11 ILE B 14 -0.529 -5.262 0.439 1.00 0.00 H new ATOM 0 HD12 ILE B 14 0.912 -4.289 0.819 1.00 0.00 H new ATOM 0 HD13 ILE B 14 -0.491 -4.264 1.913 1.00 0.00 H new ATOM 1063 N LYS B 15 1.066 1.055 0.508 1.00 0.00 N ATOM 1064 CA LYS B 15 1.428 2.334 1.139 1.00 0.00 C ATOM 1065 C LYS B 15 1.293 3.532 0.193 1.00 0.00 C ATOM 1066 O LYS B 15 0.894 4.617 0.616 1.00 0.00 O ATOM 1067 CB LYS B 15 2.842 2.260 1.747 1.00 0.00 C ATOM 1068 CG LYS B 15 2.773 1.778 3.206 1.00 0.00 C ATOM 1069 CD LYS B 15 4.141 1.767 3.903 1.00 0.00 C ATOM 1070 CE LYS B 15 4.957 0.511 3.568 1.00 0.00 C ATOM 1071 NZ LYS B 15 6.262 0.515 4.281 1.00 0.00 N ATOM 0 H LYS B 15 1.862 0.436 0.353 1.00 0.00 H new ATOM 0 HA LYS B 15 0.709 2.501 1.941 1.00 0.00 H new ATOM 0 HB2 LYS B 15 3.461 1.581 1.162 1.00 0.00 H new ATOM 0 HB3 LYS B 15 3.316 3.241 1.703 1.00 0.00 H new ATOM 0 HG2 LYS B 15 2.093 2.423 3.763 1.00 0.00 H new ATOM 0 HG3 LYS B 15 2.351 0.773 3.231 1.00 0.00 H new ATOM 0 HD2 LYS B 15 4.704 2.652 3.607 1.00 0.00 H new ATOM 0 HD3 LYS B 15 3.997 1.827 4.982 1.00 0.00 H new ATOM 0 HE2 LYS B 15 4.391 -0.379 3.844 1.00 0.00 H new ATOM 0 HE3 LYS B 15 5.127 0.460 2.493 1.00 0.00 H new ATOM 0 HZ1 LYS B 15 6.794 -0.345 4.037 1.00 0.00 H new ATOM 0 HZ2 LYS B 15 6.810 1.353 3.998 1.00 0.00 H new ATOM 0 HZ3 LYS B 15 6.097 0.540 5.307 1.00 0.00 H new ATOM 1085 N GLN B 16 1.572 3.325 -1.092 1.00 0.00 N ATOM 1086 CA GLN B 16 1.438 4.337 -2.141 1.00 0.00 C ATOM 1087 C GLN B 16 -0.021 4.715 -2.406 1.00 0.00 C ATOM 1088 O GLN B 16 -0.342 5.900 -2.500 1.00 0.00 O ATOM 1089 CB GLN B 16 2.132 3.828 -3.420 1.00 0.00 C ATOM 1090 CG GLN B 16 3.531 4.433 -3.623 1.00 0.00 C ATOM 1091 CD GLN B 16 3.519 5.722 -4.451 1.00 0.00 C ATOM 1092 OE1 GLN B 16 4.205 5.844 -5.456 1.00 0.00 O ATOM 1093 NE2 GLN B 16 2.755 6.734 -4.088 1.00 0.00 N ATOM 0 H GLN B 16 1.906 2.427 -1.443 1.00 0.00 H new ATOM 0 HA GLN B 16 1.924 5.252 -1.803 1.00 0.00 H new ATOM 0 HB2 GLN B 16 2.214 2.742 -3.375 1.00 0.00 H new ATOM 0 HB3 GLN B 16 1.510 4.065 -4.283 1.00 0.00 H new ATOM 0 HG2 GLN B 16 3.975 4.639 -2.649 1.00 0.00 H new ATOM 0 HG3 GLN B 16 4.169 3.699 -4.115 1.00 0.00 H new ATOM 0 HE21 GLN B 16 2.172 6.660 -3.254 1.00 0.00 H new ATOM 0 HE22 GLN B 16 2.747 7.591 -4.641 1.00 0.00 H new ATOM 1102 N TYR B 17 -0.915 3.730 -2.441 1.00 0.00 N ATOM 1103 CA TYR B 17 -2.355 3.934 -2.561 1.00 0.00 C ATOM 1104 C TYR B 17 -2.941 4.722 -1.393 1.00 0.00 C ATOM 1105 O TYR B 17 -3.804 5.580 -1.595 1.00 0.00 O ATOM 1106 CB TYR B 17 -3.047 2.572 -2.643 1.00 0.00 C ATOM 1107 CG TYR B 17 -2.833 1.814 -3.946 1.00 0.00 C ATOM 1108 CD1 TYR B 17 -2.954 2.473 -5.188 1.00 0.00 C ATOM 1109 CD2 TYR B 17 -2.512 0.441 -3.917 1.00 0.00 C ATOM 1110 CE1 TYR B 17 -2.741 1.769 -6.386 1.00 0.00 C ATOM 1111 CE2 TYR B 17 -2.311 -0.267 -5.119 1.00 0.00 C ATOM 1112 CZ TYR B 17 -2.444 0.395 -6.355 1.00 0.00 C ATOM 1113 OH TYR B 17 -2.403 -0.305 -7.517 1.00 0.00 O ATOM 0 H TYR B 17 -0.652 2.746 -2.385 1.00 0.00 H new ATOM 0 HA TYR B 17 -2.526 4.519 -3.465 1.00 0.00 H new ATOM 0 HB2 TYR B 17 -2.694 1.953 -1.819 1.00 0.00 H new ATOM 0 HB3 TYR B 17 -4.117 2.717 -2.497 1.00 0.00 H new ATOM 0 HD1 TYR B 17 -3.211 3.522 -5.218 1.00 0.00 H new ATOM 0 HD2 TYR B 17 -2.420 -0.070 -2.970 1.00 0.00 H new ATOM 0 HE1 TYR B 17 -2.806 2.285 -7.333 1.00 0.00 H new ATOM 0 HE2 TYR B 17 -2.055 -1.316 -5.092 1.00 0.00 H new ATOM 0 HH TYR B 17 -2.748 -1.210 -7.366 1.00 0.00 H new ATOM 1123 N ARG B 18 -2.456 4.462 -0.172 1.00 0.00 N ATOM 1124 CA ARG B 18 -2.928 5.169 1.023 1.00 0.00 C ATOM 1125 C ARG B 18 -2.615 6.671 0.992 1.00 0.00 C ATOM 1126 O ARG B 18 -3.384 7.463 1.531 1.00 0.00 O ATOM 1127 CB ARG B 18 -2.381 4.507 2.299 1.00 0.00 C ATOM 1128 CG ARG B 18 -3.406 3.599 3.013 1.00 0.00 C ATOM 1129 CD ARG B 18 -3.588 3.974 4.492 1.00 0.00 C ATOM 1130 NE ARG B 18 -4.153 5.331 4.652 1.00 0.00 N ATOM 1131 CZ ARG B 18 -4.356 5.974 5.789 1.00 0.00 C ATOM 1132 NH1 ARG B 18 -4.086 5.441 6.947 1.00 0.00 N ATOM 1133 NH2 ARG B 18 -4.839 7.184 5.782 1.00 0.00 N ATOM 0 H ARG B 18 -1.735 3.765 0.013 1.00 0.00 H new ATOM 0 HA ARG B 18 -4.015 5.087 1.030 1.00 0.00 H new ATOM 0 HB2 ARG B 18 -1.501 3.916 2.043 1.00 0.00 H new ATOM 0 HB3 ARG B 18 -2.054 5.284 2.990 1.00 0.00 H new ATOM 0 HG2 ARG B 18 -4.367 3.668 2.502 1.00 0.00 H new ATOM 0 HG3 ARG B 18 -3.081 2.561 2.941 1.00 0.00 H new ATOM 0 HD2 ARG B 18 -4.245 3.249 4.972 1.00 0.00 H new ATOM 0 HD3 ARG B 18 -2.626 3.919 5.001 1.00 0.00 H new ATOM 0 HE ARG B 18 -4.413 5.822 3.796 1.00 0.00 H new ATOM 0 HH11 ARG B 18 -3.704 4.496 6.997 1.00 0.00 H new ATOM 0 HH12 ARG B 18 -4.256 5.968 7.803 1.00 0.00 H new ATOM 0 HH21 ARG B 18 -5.062 7.639 4.897 1.00 0.00 H new ATOM 0 HH22 ARG B 18 -4.994 7.676 6.662 1.00 0.00 H new ATOM 1147 N GLU B 19 -1.517 7.060 0.340 1.00 0.00 N ATOM 1148 CA GLU B 19 -1.135 8.463 0.114 1.00 0.00 C ATOM 1149 C GLU B 19 -1.891 9.102 -1.068 1.00 0.00 C ATOM 1150 O GLU B 19 -2.274 10.267 -1.026 1.00 0.00 O ATOM 1151 CB GLU B 19 0.378 8.502 -0.159 1.00 0.00 C ATOM 1152 CG GLU B 19 0.977 9.897 0.050 1.00 0.00 C ATOM 1153 CD GLU B 19 2.498 9.891 -0.202 1.00 0.00 C ATOM 1154 OE1 GLU B 19 3.269 9.487 0.703 1.00 0.00 O ATOM 1155 OE2 GLU B 19 2.937 10.301 -1.305 1.00 0.00 O ATOM 0 H GLU B 19 -0.851 6.396 -0.056 1.00 0.00 H new ATOM 0 HA GLU B 19 -1.397 9.039 1.001 1.00 0.00 H new ATOM 0 HB2 GLU B 19 0.881 7.792 0.498 1.00 0.00 H new ATOM 0 HB3 GLU B 19 0.568 8.178 -1.182 1.00 0.00 H new ATOM 0 HG2 GLU B 19 0.496 10.607 -0.623 1.00 0.00 H new ATOM 0 HG3 GLU B 19 0.775 10.234 1.067 1.00 0.00 H new ATOM 1162 N ALA B 20 -2.133 8.333 -2.127 1.00 0.00 N ATOM 1163 CA ALA B 20 -2.723 8.772 -3.392 1.00 0.00 C ATOM 1164 C ALA B 20 -4.157 9.305 -3.244 1.00 0.00 C ATOM 1165 O ALA B 20 -4.521 10.262 -3.929 1.00 0.00 O ATOM 1166 CB ALA B 20 -2.666 7.606 -4.387 1.00 0.00 C ATOM 0 H ALA B 20 -1.912 7.337 -2.127 1.00 0.00 H new ATOM 0 HA ALA B 20 -2.140 9.616 -3.761 1.00 0.00 H new ATOM 0 HB1 ALA B 20 -3.102 7.916 -5.336 1.00 0.00 H new ATOM 0 HB2 ALA B 20 -1.628 7.312 -4.543 1.00 0.00 H new ATOM 0 HB3 ALA B 20 -3.227 6.760 -3.989 1.00 0.00 H new ATOM 1172 N LEU B 21 -4.953 8.751 -2.319 1.00 0.00 N ATOM 1173 CA LEU B 21 -6.301 9.255 -2.023 1.00 0.00 C ATOM 1174 C LEU B 21 -6.298 10.706 -1.528 1.00 0.00 C ATOM 1175 O LEU B 21 -7.284 11.406 -1.743 1.00 0.00 O ATOM 1176 CB LEU B 21 -7.041 8.291 -1.079 1.00 0.00 C ATOM 1177 CG LEU B 21 -8.559 8.537 -0.932 1.00 0.00 C ATOM 1178 CD1 LEU B 21 -9.287 7.209 -0.711 1.00 0.00 C ATOM 1179 CD2 LEU B 21 -8.919 9.419 0.269 1.00 0.00 C ATOM 0 H LEU B 21 -4.682 7.944 -1.757 1.00 0.00 H new ATOM 0 HA LEU B 21 -6.859 9.284 -2.959 1.00 0.00 H new ATOM 0 HB2 LEU B 21 -6.889 7.272 -1.436 1.00 0.00 H new ATOM 0 HB3 LEU B 21 -6.583 8.354 -0.092 1.00 0.00 H new ATOM 0 HG LEU B 21 -8.860 9.036 -1.853 1.00 0.00 H new ATOM 0 HD11 LEU B 21 -10.356 7.393 -0.609 1.00 0.00 H new ATOM 0 HD12 LEU B 21 -9.112 6.552 -1.563 1.00 0.00 H new ATOM 0 HD13 LEU B 21 -8.912 6.735 0.196 1.00 0.00 H new ATOM 0 HD21 LEU B 21 -10.000 9.551 0.312 1.00 0.00 H new ATOM 0 HD22 LEU B 21 -8.574 8.942 1.187 1.00 0.00 H new ATOM 0 HD23 LEU B 21 -8.439 10.392 0.163 1.00 0.00 H new ATOM 1191 N GLU B 22 -5.199 11.208 -0.953 1.00 0.00 N ATOM 1192 CA GLU B 22 -5.125 12.632 -0.585 1.00 0.00 C ATOM 1193 C GLU B 22 -5.169 13.580 -1.796 1.00 0.00 C ATOM 1194 O GLU B 22 -5.638 14.715 -1.678 1.00 0.00 O ATOM 1195 CB GLU B 22 -3.863 12.906 0.231 1.00 0.00 C ATOM 1196 CG GLU B 22 -4.052 12.538 1.709 1.00 0.00 C ATOM 1197 CD GLU B 22 -2.776 12.807 2.530 1.00 0.00 C ATOM 1198 OE1 GLU B 22 -2.432 13.994 2.755 1.00 0.00 O ATOM 1199 OE2 GLU B 22 -2.122 11.836 2.985 1.00 0.00 O ATOM 0 H GLU B 22 -4.363 10.665 -0.735 1.00 0.00 H new ATOM 0 HA GLU B 22 -6.013 12.836 0.013 1.00 0.00 H new ATOM 0 HB2 GLU B 22 -3.031 12.336 -0.183 1.00 0.00 H new ATOM 0 HB3 GLU B 22 -3.599 13.960 0.149 1.00 0.00 H new ATOM 0 HG2 GLU B 22 -4.880 13.113 2.124 1.00 0.00 H new ATOM 0 HG3 GLU B 22 -4.322 11.485 1.790 1.00 0.00 H new ATOM 1206 N TYR B 23 -4.730 13.101 -2.959 1.00 0.00 N ATOM 1207 CA TYR B 23 -4.878 13.777 -4.252 1.00 0.00 C ATOM 1208 C TYR B 23 -6.149 13.370 -5.022 1.00 0.00 C ATOM 1209 O TYR B 23 -6.853 14.253 -5.517 1.00 0.00 O ATOM 1210 CB TYR B 23 -3.621 13.532 -5.097 1.00 0.00 C ATOM 1211 CG TYR B 23 -2.410 14.291 -4.589 1.00 0.00 C ATOM 1212 CD1 TYR B 23 -2.208 15.625 -4.997 1.00 0.00 C ATOM 1213 CD2 TYR B 23 -1.517 13.690 -3.680 1.00 0.00 C ATOM 1214 CE1 TYR B 23 -1.115 16.360 -4.500 1.00 0.00 C ATOM 1215 CE2 TYR B 23 -0.423 14.423 -3.179 1.00 0.00 C ATOM 1216 CZ TYR B 23 -0.220 15.761 -3.585 1.00 0.00 C ATOM 1217 OH TYR B 23 0.834 16.468 -3.091 1.00 0.00 O ATOM 0 H TYR B 23 -4.247 12.206 -3.032 1.00 0.00 H new ATOM 0 HA TYR B 23 -4.993 14.842 -4.049 1.00 0.00 H new ATOM 0 HB2 TYR B 23 -3.397 12.465 -5.105 1.00 0.00 H new ATOM 0 HB3 TYR B 23 -3.820 13.824 -6.128 1.00 0.00 H new ATOM 0 HD1 TYR B 23 -2.894 16.085 -5.693 1.00 0.00 H new ATOM 0 HD2 TYR B 23 -1.671 12.668 -3.367 1.00 0.00 H new ATOM 0 HE1 TYR B 23 -0.961 17.381 -4.818 1.00 0.00 H new ATOM 0 HE2 TYR B 23 0.262 13.961 -2.483 1.00 0.00 H new ATOM 0 HH TYR B 23 1.346 15.904 -2.474 1.00 0.00 H new ATOM 1227 N THR B 24 -6.487 12.076 -5.123 1.00 0.00 N ATOM 1228 CA THR B 24 -7.634 11.617 -5.941 1.00 0.00 C ATOM 1229 C THR B 24 -8.995 11.824 -5.266 1.00 0.00 C ATOM 1230 O THR B 24 -9.956 12.229 -5.922 1.00 0.00 O ATOM 1231 CB THR B 24 -7.510 10.141 -6.354 1.00 0.00 C ATOM 1232 OG1 THR B 24 -7.548 9.314 -5.218 1.00 0.00 O ATOM 1233 CG2 THR B 24 -6.222 9.827 -7.115 1.00 0.00 C ATOM 0 H THR B 24 -5.986 11.324 -4.650 1.00 0.00 H new ATOM 0 HA THR B 24 -7.594 12.249 -6.828 1.00 0.00 H new ATOM 0 HB THR B 24 -8.353 9.950 -7.018 1.00 0.00 H new ATOM 0 HG1 THR B 24 -6.899 8.587 -5.321 1.00 0.00 H new ATOM 0 HG21 THR B 24 -6.202 8.769 -7.375 1.00 0.00 H new ATOM 0 HG22 THR B 24 -6.182 10.425 -8.026 1.00 0.00 H new ATOM 0 HG23 THR B 24 -5.362 10.063 -6.488 1.00 0.00 H new ATOM 1241 N HIS B 25 -9.078 11.607 -3.949 1.00 0.00 N ATOM 1242 CA HIS B 25 -10.314 11.552 -3.147 1.00 0.00 C ATOM 1243 C HIS B 25 -11.406 10.618 -3.740 1.00 0.00 C ATOM 1244 O HIS B 25 -12.560 11.027 -3.896 1.00 0.00 O ATOM 1245 CB HIS B 25 -10.803 12.978 -2.815 1.00 0.00 C ATOM 1246 CG HIS B 25 -9.984 13.635 -1.733 1.00 0.00 C ATOM 1247 ND1 HIS B 25 -10.308 13.684 -0.386 1.00 0.00 N ATOM 1248 CD2 HIS B 25 -8.767 14.236 -1.886 1.00 0.00 C ATOM 1249 CE1 HIS B 25 -9.306 14.310 0.264 1.00 0.00 C ATOM 1250 NE2 HIS B 25 -8.362 14.660 -0.635 1.00 0.00 N ATOM 0 H HIS B 25 -8.244 11.457 -3.381 1.00 0.00 H new ATOM 0 HA HIS B 25 -10.072 11.071 -2.199 1.00 0.00 H new ATOM 0 HB2 HIS B 25 -10.765 13.590 -3.716 1.00 0.00 H new ATOM 0 HB3 HIS B 25 -11.846 12.937 -2.501 1.00 0.00 H new ATOM 0 HD2 HIS B 25 -8.223 14.357 -2.811 1.00 0.00 H new ATOM 0 HE1 HIS B 25 -9.266 14.500 1.326 1.00 0.00 H new ATOM 0 HE2 HIS B 25 -7.495 15.155 -0.426 1.00 0.00 H new ATOM 1259 N ASN B 26 -11.065 9.365 -4.088 1.00 0.00 N ATOM 1260 CA ASN B 26 -11.974 8.394 -4.741 1.00 0.00 C ATOM 1261 C ASN B 26 -12.159 7.073 -3.956 1.00 0.00 C ATOM 1262 O ASN B 26 -11.201 6.574 -3.360 1.00 0.00 O ATOM 1263 CB ASN B 26 -11.470 8.119 -6.172 1.00 0.00 C ATOM 1264 CG ASN B 26 -11.831 9.237 -7.133 1.00 0.00 C ATOM 1265 OD1 ASN B 26 -11.005 10.046 -7.520 1.00 0.00 O ATOM 1266 ND2 ASN B 26 -13.070 9.314 -7.564 1.00 0.00 N ATOM 0 H ASN B 26 -10.132 8.987 -3.922 1.00 0.00 H new ATOM 0 HA ASN B 26 -12.964 8.848 -4.765 1.00 0.00 H new ATOM 0 HB2 ASN B 26 -10.388 7.992 -6.156 1.00 0.00 H new ATOM 0 HB3 ASN B 26 -11.896 7.182 -6.531 1.00 0.00 H new ATOM 0 HD21 ASN B 26 -13.337 10.048 -8.220 1.00 0.00 H new ATOM 0 HD22 ASN B 26 -13.764 8.639 -7.243 1.00 0.00 H new ATOM 1273 N PRO B 27 -13.360 6.447 -4.008 1.00 0.00 N ATOM 1274 CA PRO B 27 -13.661 5.193 -3.304 1.00 0.00 C ATOM 1275 C PRO B 27 -13.021 3.953 -3.950 1.00 0.00 C ATOM 1276 O PRO B 27 -12.988 2.886 -3.341 1.00 0.00 O ATOM 1277 CB PRO B 27 -15.191 5.081 -3.323 1.00 0.00 C ATOM 1278 CG PRO B 27 -15.569 5.765 -4.635 1.00 0.00 C ATOM 1279 CD PRO B 27 -14.551 6.901 -4.723 1.00 0.00 C ATOM 0 HA PRO B 27 -13.245 5.222 -2.297 1.00 0.00 H new ATOM 0 HB2 PRO B 27 -15.520 4.042 -3.300 1.00 0.00 H new ATOM 0 HB3 PRO B 27 -15.643 5.577 -2.464 1.00 0.00 H new ATOM 0 HG2 PRO B 27 -15.492 5.085 -5.484 1.00 0.00 H new ATOM 0 HG3 PRO B 27 -16.593 6.138 -4.617 1.00 0.00 H new ATOM 0 HD2 PRO B 27 -14.315 7.131 -5.762 1.00 0.00 H new ATOM 0 HD3 PRO B 27 -14.948 7.813 -4.276 1.00 0.00 H new ATOM 1287 N VAL B 28 -12.499 4.068 -5.176 1.00 0.00 N ATOM 1288 CA VAL B 28 -11.869 2.946 -5.897 1.00 0.00 C ATOM 1289 C VAL B 28 -10.611 2.437 -5.211 1.00 0.00 C ATOM 1290 O VAL B 28 -10.365 1.238 -5.187 1.00 0.00 O ATOM 1291 CB VAL B 28 -11.637 3.318 -7.377 1.00 0.00 C ATOM 1292 CG1 VAL B 28 -10.253 3.895 -7.710 1.00 0.00 C ATOM 1293 CG2 VAL B 28 -11.935 2.116 -8.268 1.00 0.00 C ATOM 0 H VAL B 28 -12.499 4.942 -5.701 1.00 0.00 H new ATOM 0 HA VAL B 28 -12.563 2.106 -5.873 1.00 0.00 H new ATOM 0 HB VAL B 28 -12.331 4.135 -7.575 1.00 0.00 H new ATOM 0 HG11 VAL B 28 -10.200 4.121 -8.775 1.00 0.00 H new ATOM 0 HG12 VAL B 28 -10.092 4.808 -7.137 1.00 0.00 H new ATOM 0 HG13 VAL B 28 -9.484 3.166 -7.455 1.00 0.00 H new ATOM 0 HG21 VAL B 28 -11.769 2.386 -9.311 1.00 0.00 H new ATOM 0 HG22 VAL B 28 -11.276 1.291 -7.998 1.00 0.00 H new ATOM 0 HG23 VAL B 28 -12.973 1.811 -8.133 1.00 0.00 H new ATOM 1303 N LEU B 29 -9.839 3.305 -4.561 1.00 0.00 N ATOM 1304 CA LEU B 29 -8.678 2.882 -3.791 1.00 0.00 C ATOM 1305 C LEU B 29 -9.089 2.038 -2.568 1.00 0.00 C ATOM 1306 O LEU B 29 -8.385 1.093 -2.227 1.00 0.00 O ATOM 1307 CB LEU B 29 -7.829 4.101 -3.421 1.00 0.00 C ATOM 1308 CG LEU B 29 -7.298 4.903 -4.625 1.00 0.00 C ATOM 1309 CD1 LEU B 29 -8.210 6.074 -5.000 1.00 0.00 C ATOM 1310 CD2 LEU B 29 -5.919 5.489 -4.321 1.00 0.00 C ATOM 0 H LEU B 29 -10.001 4.312 -4.554 1.00 0.00 H new ATOM 0 HA LEU B 29 -8.060 2.227 -4.405 1.00 0.00 H new ATOM 0 HB2 LEU B 29 -8.424 4.764 -2.793 1.00 0.00 H new ATOM 0 HB3 LEU B 29 -6.982 3.769 -2.821 1.00 0.00 H new ATOM 0 HG LEU B 29 -7.255 4.196 -5.453 1.00 0.00 H new ATOM 0 HD11 LEU B 29 -7.789 6.604 -5.854 1.00 0.00 H new ATOM 0 HD12 LEU B 29 -9.199 5.696 -5.260 1.00 0.00 H new ATOM 0 HD13 LEU B 29 -8.293 6.756 -4.154 1.00 0.00 H new ATOM 0 HD21 LEU B 29 -5.564 6.051 -5.185 1.00 0.00 H new ATOM 0 HD22 LEU B 29 -5.988 6.153 -3.459 1.00 0.00 H new ATOM 0 HD23 LEU B 29 -5.221 4.681 -4.102 1.00 0.00 H new ATOM 1322 N ALA B 30 -10.289 2.261 -2.014 1.00 0.00 N ATOM 1323 CA ALA B 30 -10.959 1.364 -1.057 1.00 0.00 C ATOM 1324 C ALA B 30 -11.553 0.085 -1.710 1.00 0.00 C ATOM 1325 O ALA B 30 -12.408 -0.585 -1.126 1.00 0.00 O ATOM 1326 CB ALA B 30 -11.998 2.166 -0.259 1.00 0.00 C ATOM 0 H ALA B 30 -10.838 3.095 -2.224 1.00 0.00 H new ATOM 0 HA ALA B 30 -10.205 0.979 -0.370 1.00 0.00 H new ATOM 0 HB1 ALA B 30 -12.498 1.508 0.452 1.00 0.00 H new ATOM 0 HB2 ALA B 30 -11.500 2.971 0.281 1.00 0.00 H new ATOM 0 HB3 ALA B 30 -12.735 2.589 -0.942 1.00 0.00 H new ATOM 1332 N LYS B 31 -11.086 -0.275 -2.913 1.00 0.00 N ATOM 1333 CA LYS B 31 -11.201 -1.583 -3.568 1.00 0.00 C ATOM 1334 C LYS B 31 -9.834 -2.081 -4.048 1.00 0.00 C ATOM 1335 O LYS B 31 -9.500 -3.228 -3.770 1.00 0.00 O ATOM 1336 CB LYS B 31 -12.223 -1.544 -4.725 1.00 0.00 C ATOM 1337 CG LYS B 31 -13.676 -1.375 -4.252 1.00 0.00 C ATOM 1338 CD LYS B 31 -14.256 -2.676 -3.666 1.00 0.00 C ATOM 1339 CE LYS B 31 -15.404 -2.398 -2.689 1.00 0.00 C ATOM 1340 NZ LYS B 31 -14.888 -2.000 -1.355 1.00 0.00 N ATOM 0 H LYS B 31 -10.580 0.391 -3.497 1.00 0.00 H new ATOM 0 HA LYS B 31 -11.572 -2.293 -2.829 1.00 0.00 H new ATOM 0 HB2 LYS B 31 -11.970 -0.723 -5.396 1.00 0.00 H new ATOM 0 HB3 LYS B 31 -12.142 -2.465 -5.303 1.00 0.00 H new ATOM 0 HG2 LYS B 31 -13.721 -0.588 -3.499 1.00 0.00 H new ATOM 0 HG3 LYS B 31 -14.293 -1.050 -5.090 1.00 0.00 H new ATOM 0 HD2 LYS B 31 -14.614 -3.312 -4.476 1.00 0.00 H new ATOM 0 HD3 LYS B 31 -13.468 -3.227 -3.153 1.00 0.00 H new ATOM 0 HE2 LYS B 31 -16.040 -1.607 -3.087 1.00 0.00 H new ATOM 0 HE3 LYS B 31 -16.025 -3.288 -2.591 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 -15.674 -1.656 -0.767 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 -14.445 -2.821 -0.895 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 -14.183 -1.244 -1.467 1.00 0.00 H new ATOM 1354 N ILE B 32 -8.996 -1.224 -4.648 1.00 0.00 N ATOM 1355 CA ILE B 32 -7.610 -1.602 -5.009 1.00 0.00 C ATOM 1356 C ILE B 32 -6.802 -1.950 -3.755 1.00 0.00 C ATOM 1357 O ILE B 32 -6.466 -3.118 -3.559 1.00 0.00 O ATOM 1358 CB ILE B 32 -6.880 -0.584 -5.915 1.00 0.00 C ATOM 1359 CG1 ILE B 32 -7.446 -0.528 -7.354 1.00 0.00 C ATOM 1360 CG2 ILE B 32 -5.413 -1.006 -6.060 1.00 0.00 C ATOM 1361 CD1 ILE B 32 -8.581 0.474 -7.497 1.00 0.00 C ATOM 0 H ILE B 32 -9.246 -0.267 -4.895 1.00 0.00 H new ATOM 0 HA ILE B 32 -7.693 -2.495 -5.629 1.00 0.00 H new ATOM 0 HB ILE B 32 -7.009 0.389 -5.440 1.00 0.00 H new ATOM 0 HG12 ILE B 32 -6.645 -0.266 -8.046 1.00 0.00 H new ATOM 0 HG13 ILE B 32 -7.802 -1.518 -7.639 1.00 0.00 H new ATOM 0 HG21 ILE B 32 -4.891 -0.293 -6.698 1.00 0.00 H new ATOM 0 HG22 ILE B 32 -4.942 -1.027 -5.077 1.00 0.00 H new ATOM 0 HG23 ILE B 32 -5.362 -1.998 -6.508 1.00 0.00 H new ATOM 0 HD11 ILE B 32 -8.940 0.472 -8.526 1.00 0.00 H new ATOM 0 HD12 ILE B 32 -9.396 0.199 -6.828 1.00 0.00 H new ATOM 0 HD13 ILE B 32 -8.221 1.470 -7.240 1.00 0.00 H new ATOM 1373 N LEU B 33 -6.511 -0.972 -2.889 1.00 0.00 N ATOM 1374 CA LEU B 33 -5.693 -1.200 -1.691 1.00 0.00 C ATOM 1375 C LEU B 33 -6.415 -2.090 -0.674 1.00 0.00 C ATOM 1376 O LEU B 33 -5.761 -2.830 0.058 1.00 0.00 O ATOM 1377 CB LEU B 33 -5.141 0.131 -1.137 1.00 0.00 C ATOM 1378 CG LEU B 33 -5.923 0.831 -0.007 1.00 0.00 C ATOM 1379 CD1 LEU B 33 -5.525 0.343 1.390 1.00 0.00 C ATOM 1380 CD2 LEU B 33 -5.657 2.337 -0.025 1.00 0.00 C ATOM 0 H LEU B 33 -6.832 -0.010 -2.996 1.00 0.00 H new ATOM 0 HA LEU B 33 -4.809 -1.776 -1.964 1.00 0.00 H new ATOM 0 HB2 LEU B 33 -4.129 -0.053 -0.777 1.00 0.00 H new ATOM 0 HB3 LEU B 33 -5.061 0.830 -1.969 1.00 0.00 H new ATOM 0 HG LEU B 33 -6.971 0.595 -0.193 1.00 0.00 H new ATOM 0 HD11 LEU B 33 -6.110 0.873 2.141 1.00 0.00 H new ATOM 0 HD12 LEU B 33 -5.716 -0.727 1.470 1.00 0.00 H new ATOM 0 HD13 LEU B 33 -4.465 0.535 1.554 1.00 0.00 H new ATOM 0 HD21 LEU B 33 -6.217 2.815 0.779 1.00 0.00 H new ATOM 0 HD22 LEU B 33 -4.592 2.520 0.116 1.00 0.00 H new ATOM 0 HD23 LEU B 33 -5.973 2.751 -0.983 1.00 0.00 H new ATOM 1392 N GLU B 34 -7.754 -2.090 -0.692 1.00 0.00 N ATOM 1393 CA GLU B 34 -8.546 -3.053 0.077 1.00 0.00 C ATOM 1394 C GLU B 34 -8.201 -4.508 -0.295 1.00 0.00 C ATOM 1395 O GLU B 34 -8.115 -5.366 0.586 1.00 0.00 O ATOM 1396 CB GLU B 34 -10.048 -2.772 -0.077 1.00 0.00 C ATOM 1397 CG GLU B 34 -10.911 -3.669 0.823 1.00 0.00 C ATOM 1398 CD GLU B 34 -12.404 -3.305 0.742 1.00 0.00 C ATOM 1399 OE1 GLU B 34 -13.097 -3.768 -0.196 1.00 0.00 O ATOM 1400 OE2 GLU B 34 -12.911 -2.582 1.633 1.00 0.00 O ATOM 0 H GLU B 34 -8.312 -1.430 -1.234 1.00 0.00 H new ATOM 0 HA GLU B 34 -8.287 -2.927 1.128 1.00 0.00 H new ATOM 0 HB2 GLU B 34 -10.245 -1.727 0.162 1.00 0.00 H new ATOM 0 HB3 GLU B 34 -10.337 -2.921 -1.117 1.00 0.00 H new ATOM 0 HG2 GLU B 34 -10.776 -4.711 0.532 1.00 0.00 H new ATOM 0 HG3 GLU B 34 -10.572 -3.580 1.855 1.00 0.00 H new ATOM 1407 N ASP B 35 -7.947 -4.795 -1.578 1.00 0.00 N ATOM 1408 CA ASP B 35 -7.546 -6.121 -2.028 1.00 0.00 C ATOM 1409 C ASP B 35 -6.048 -6.411 -1.898 1.00 0.00 C ATOM 1410 O ASP B 35 -5.706 -7.498 -1.437 1.00 0.00 O ATOM 1411 CB ASP B 35 -8.001 -6.351 -3.465 1.00 0.00 C ATOM 1412 CG ASP B 35 -9.515 -6.349 -3.731 1.00 0.00 C ATOM 1413 OD1 ASP B 35 -10.301 -6.752 -2.833 1.00 0.00 O ATOM 1414 OD2 ASP B 35 -9.894 -6.009 -4.880 1.00 0.00 O ATOM 0 H ASP B 35 -8.016 -4.109 -2.329 1.00 0.00 H new ATOM 0 HA ASP B 35 -8.042 -6.820 -1.355 1.00 0.00 H new ATOM 0 HB2 ASP B 35 -7.547 -5.582 -4.090 1.00 0.00 H new ATOM 0 HB3 ASP B 35 -7.601 -7.309 -3.797 1.00 0.00 H new ATOM 1419 N GLU B 36 -5.135 -5.480 -2.202 1.00 0.00 N ATOM 1420 CA GLU B 36 -3.699 -5.704 -1.970 1.00 0.00 C ATOM 1421 C GLU B 36 -3.370 -6.033 -0.505 1.00 0.00 C ATOM 1422 O GLU B 36 -2.405 -6.748 -0.235 1.00 0.00 O ATOM 1423 CB GLU B 36 -2.895 -4.462 -2.367 1.00 0.00 C ATOM 1424 CG GLU B 36 -3.133 -3.891 -3.763 1.00 0.00 C ATOM 1425 CD GLU B 36 -2.940 -4.872 -4.911 1.00 0.00 C ATOM 1426 OE1 GLU B 36 -2.146 -5.841 -4.832 1.00 0.00 O ATOM 1427 OE2 GLU B 36 -3.543 -4.677 -5.992 1.00 0.00 O ATOM 0 H GLU B 36 -5.360 -4.571 -2.606 1.00 0.00 H new ATOM 0 HA GLU B 36 -3.428 -6.562 -2.585 1.00 0.00 H new ATOM 0 HB2 GLU B 36 -3.106 -3.677 -1.641 1.00 0.00 H new ATOM 0 HB3 GLU B 36 -1.836 -4.703 -2.277 1.00 0.00 H new ATOM 0 HG2 GLU B 36 -4.149 -3.500 -3.809 1.00 0.00 H new ATOM 0 HG3 GLU B 36 -2.460 -3.047 -3.912 1.00 0.00 H new ATOM 1434 N GLU B 37 -4.194 -5.565 0.437 1.00 0.00 N ATOM 1435 CA GLU B 37 -4.042 -5.863 1.869 1.00 0.00 C ATOM 1436 C GLU B 37 -4.257 -7.359 2.159 1.00 0.00 C ATOM 1437 O GLU B 37 -3.627 -7.930 3.053 1.00 0.00 O ATOM 1438 CB GLU B 37 -5.031 -4.998 2.667 1.00 0.00 C ATOM 1439 CG GLU B 37 -4.756 -5.016 4.175 1.00 0.00 C ATOM 1440 CD GLU B 37 -5.707 -4.064 4.925 1.00 0.00 C ATOM 1441 OE1 GLU B 37 -6.829 -4.488 5.300 1.00 0.00 O ATOM 1442 OE2 GLU B 37 -5.336 -2.888 5.166 1.00 0.00 O ATOM 0 H GLU B 37 -4.992 -4.964 0.229 1.00 0.00 H new ATOM 0 HA GLU B 37 -3.023 -5.625 2.175 1.00 0.00 H new ATOM 0 HB2 GLU B 37 -4.981 -3.971 2.306 1.00 0.00 H new ATOM 0 HB3 GLU B 37 -6.046 -5.352 2.483 1.00 0.00 H new ATOM 0 HG2 GLU B 37 -4.876 -6.030 4.557 1.00 0.00 H new ATOM 0 HG3 GLU B 37 -3.723 -4.725 4.363 1.00 0.00 H new ATOM 1449 N LYS B 38 -5.117 -8.002 1.358 1.00 0.00 N ATOM 1450 CA LYS B 38 -5.376 -9.447 1.368 1.00 0.00 C ATOM 1451 C LYS B 38 -4.353 -10.207 0.537 1.00 0.00 C ATOM 1452 O LYS B 38 -3.855 -11.220 1.010 1.00 0.00 O ATOM 1453 CB LYS B 38 -6.787 -9.748 0.832 1.00 0.00 C ATOM 1454 CG LYS B 38 -7.878 -9.066 1.668 1.00 0.00 C ATOM 1455 CD LYS B 38 -9.304 -9.281 1.143 1.00 0.00 C ATOM 1456 CE LYS B 38 -9.464 -8.539 -0.184 1.00 0.00 C ATOM 1457 NZ LYS B 38 -10.869 -8.415 -0.642 1.00 0.00 N ATOM 0 H LYS B 38 -5.673 -7.510 0.658 1.00 0.00 H new ATOM 0 HA LYS B 38 -5.298 -9.779 2.403 1.00 0.00 H new ATOM 0 HB2 LYS B 38 -6.861 -9.413 -0.203 1.00 0.00 H new ATOM 0 HB3 LYS B 38 -6.952 -10.825 0.831 1.00 0.00 H new ATOM 0 HG2 LYS B 38 -7.820 -9.437 2.691 1.00 0.00 H new ATOM 0 HG3 LYS B 38 -7.675 -7.996 1.705 1.00 0.00 H new ATOM 0 HD2 LYS B 38 -9.498 -10.345 1.005 1.00 0.00 H new ATOM 0 HD3 LYS B 38 -10.031 -8.916 1.868 1.00 0.00 H new ATOM 0 HE2 LYS B 38 -9.036 -7.541 -0.084 1.00 0.00 H new ATOM 0 HE3 LYS B 38 -8.888 -9.058 -0.950 1.00 0.00 H new ATOM 0 HZ1 LYS B 38 -10.910 -7.788 -1.471 1.00 0.00 H new ATOM 0 HZ2 LYS B 38 -11.234 -9.354 -0.900 1.00 0.00 H new ATOM 0 HZ3 LYS B 38 -11.450 -8.016 0.123 1.00 0.00 H new ATOM 1471 N HIS B 39 -4.015 -9.731 -0.666 1.00 0.00 N ATOM 1472 CA HIS B 39 -3.246 -10.429 -1.693 1.00 0.00 C ATOM 1473 C HIS B 39 -1.958 -11.097 -1.196 1.00 0.00 C ATOM 1474 O HIS B 39 -1.712 -12.256 -1.529 1.00 0.00 O ATOM 1475 CB HIS B 39 -2.939 -9.400 -2.783 1.00 0.00 C ATOM 1476 CG HIS B 39 -4.053 -9.055 -3.732 1.00 0.00 C ATOM 1477 ND1 HIS B 39 -3.895 -8.238 -4.854 1.00 0.00 N ATOM 1478 CD2 HIS B 39 -5.352 -9.456 -3.646 1.00 0.00 C ATOM 1479 CE1 HIS B 39 -5.114 -8.161 -5.413 1.00 0.00 C ATOM 1480 NE2 HIS B 39 -5.997 -8.919 -4.738 1.00 0.00 N ATOM 0 H HIS B 39 -4.288 -8.794 -0.963 1.00 0.00 H new ATOM 0 HA HIS B 39 -3.845 -11.262 -2.060 1.00 0.00 H new ATOM 0 HB2 HIS B 39 -2.611 -8.481 -2.298 1.00 0.00 H new ATOM 0 HB3 HIS B 39 -2.097 -9.769 -3.369 1.00 0.00 H new ATOM 0 HD1 HIS B 39 -3.036 -7.794 -5.180 1.00 0.00 H new ATOM 0 HD2 HIS B 39 -5.789 -10.073 -2.875 1.00 0.00 H new ATOM 0 HE1 HIS B 39 -5.353 -7.571 -6.285 1.00 0.00 H new ATOM 0 HE2 HIS B 39 -6.974 -9.070 -4.991 1.00 0.00 H new ATOM 1488 N ILE B 40 -1.167 -10.399 -0.375 1.00 0.00 N ATOM 1489 CA ILE B 40 0.065 -10.967 0.209 1.00 0.00 C ATOM 1490 C ILE B 40 -0.251 -12.179 1.088 1.00 0.00 C ATOM 1491 O ILE B 40 0.244 -13.277 0.835 1.00 0.00 O ATOM 1492 CB ILE B 40 0.860 -9.908 1.016 1.00 0.00 C ATOM 1493 CG1 ILE B 40 1.184 -8.682 0.144 1.00 0.00 C ATOM 1494 CG2 ILE B 40 2.171 -10.504 1.567 1.00 0.00 C ATOM 1495 CD1 ILE B 40 1.908 -7.544 0.880 1.00 0.00 C ATOM 0 H ILE B 40 -1.354 -9.436 -0.096 1.00 0.00 H new ATOM 0 HA ILE B 40 0.691 -11.294 -0.621 1.00 0.00 H new ATOM 0 HB ILE B 40 0.233 -9.596 1.851 1.00 0.00 H new ATOM 0 HG12 ILE B 40 1.800 -9.003 -0.696 1.00 0.00 H new ATOM 0 HG13 ILE B 40 0.255 -8.294 -0.273 1.00 0.00 H new ATOM 0 HG21 ILE B 40 2.710 -9.741 2.129 1.00 0.00 H new ATOM 0 HG22 ILE B 40 1.941 -11.344 2.223 1.00 0.00 H new ATOM 0 HG23 ILE B 40 2.790 -10.849 0.739 1.00 0.00 H new ATOM 0 HD11 ILE B 40 2.095 -6.724 0.187 1.00 0.00 H new ATOM 0 HD12 ILE B 40 1.287 -7.190 1.703 1.00 0.00 H new ATOM 0 HD13 ILE B 40 2.856 -7.910 1.273 1.00 0.00 H new ATOM 1507 N GLU B 41 -1.092 -12.006 2.110 1.00 0.00 N ATOM 1508 CA GLU B 41 -1.447 -13.098 3.021 1.00 0.00 C ATOM 1509 C GLU B 41 -2.278 -14.191 2.337 1.00 0.00 C ATOM 1510 O GLU B 41 -2.152 -15.357 2.698 1.00 0.00 O ATOM 1511 CB GLU B 41 -2.136 -12.568 4.287 1.00 0.00 C ATOM 1512 CG GLU B 41 -1.156 -11.754 5.148 1.00 0.00 C ATOM 1513 CD GLU B 41 -1.720 -11.436 6.549 1.00 0.00 C ATOM 1514 OE1 GLU B 41 -2.888 -10.987 6.665 1.00 0.00 O ATOM 1515 OE2 GLU B 41 -0.989 -11.616 7.554 1.00 0.00 O ATOM 0 H GLU B 41 -1.542 -11.117 2.328 1.00 0.00 H new ATOM 0 HA GLU B 41 -0.512 -13.570 3.325 1.00 0.00 H new ATOM 0 HB2 GLU B 41 -2.986 -11.945 4.009 1.00 0.00 H new ATOM 0 HB3 GLU B 41 -2.529 -13.402 4.868 1.00 0.00 H new ATOM 0 HG2 GLU B 41 -0.223 -12.308 5.253 1.00 0.00 H new ATOM 0 HG3 GLU B 41 -0.917 -10.822 4.637 1.00 0.00 H new ATOM 1522 N TRP B 42 -3.051 -13.854 1.302 1.00 0.00 N ATOM 1523 CA TRP B 42 -3.692 -14.800 0.393 1.00 0.00 C ATOM 1524 C TRP B 42 -2.700 -15.786 -0.229 1.00 0.00 C ATOM 1525 O TRP B 42 -2.862 -16.987 -0.004 1.00 0.00 O ATOM 1526 CB TRP B 42 -4.531 -13.999 -0.626 1.00 0.00 C ATOM 1527 CG TRP B 42 -5.931 -13.674 -0.203 1.00 0.00 C ATOM 1528 CD1 TRP B 42 -6.483 -13.943 1.004 1.00 0.00 C ATOM 1529 CD2 TRP B 42 -6.981 -13.026 -0.985 1.00 0.00 C ATOM 1530 NE1 TRP B 42 -7.815 -13.566 0.998 1.00 0.00 N ATOM 1531 CE2 TRP B 42 -8.179 -13.005 -0.211 1.00 0.00 C ATOM 1532 CE3 TRP B 42 -7.038 -12.444 -2.270 1.00 0.00 C ATOM 1533 CZ2 TRP B 42 -9.379 -12.470 -0.704 1.00 0.00 C ATOM 1534 CZ3 TRP B 42 -8.224 -11.871 -2.762 1.00 0.00 C ATOM 1535 CH2 TRP B 42 -9.399 -11.897 -1.989 1.00 0.00 C ATOM 0 H TRP B 42 -3.253 -12.882 1.068 1.00 0.00 H new ATOM 0 HA TRP B 42 -4.369 -15.451 0.946 1.00 0.00 H new ATOM 0 HB2 TRP B 42 -4.011 -13.066 -0.843 1.00 0.00 H new ATOM 0 HB3 TRP B 42 -4.574 -14.564 -1.557 1.00 0.00 H new ATOM 0 HD1 TRP B 42 -5.964 -14.384 1.842 1.00 0.00 H new ATOM 0 HE1 TRP B 42 -8.449 -13.687 1.788 1.00 0.00 H new ATOM 0 HE3 TRP B 42 -6.152 -12.439 -2.888 1.00 0.00 H new ATOM 0 HZ2 TRP B 42 -10.277 -12.498 -0.104 1.00 0.00 H new ATOM 0 HZ3 TRP B 42 -8.233 -11.409 -3.738 1.00 0.00 H new ATOM 0 HH2 TRP B 42 -10.314 -11.478 -2.381 1.00 0.00 H new ATOM 1546 N LEU B 43 -1.645 -15.343 -0.931 1.00 0.00 N ATOM 1547 CA LEU B 43 -0.694 -16.312 -1.505 1.00 0.00 C ATOM 1548 C LEU B 43 0.268 -16.926 -0.469 1.00 0.00 C ATOM 1549 O LEU B 43 0.706 -18.063 -0.642 1.00 0.00 O ATOM 1550 CB LEU B 43 -0.006 -15.762 -2.761 1.00 0.00 C ATOM 1551 CG LEU B 43 1.090 -14.728 -2.474 1.00 0.00 C ATOM 1552 CD1 LEU B 43 2.476 -15.306 -2.762 1.00 0.00 C ATOM 1553 CD2 LEU B 43 0.930 -13.492 -3.347 1.00 0.00 C ATOM 0 H LEU B 43 -1.432 -14.362 -1.111 1.00 0.00 H new ATOM 0 HA LEU B 43 -1.284 -17.165 -1.840 1.00 0.00 H new ATOM 0 HB2 LEU B 43 0.430 -16.592 -3.316 1.00 0.00 H new ATOM 0 HB3 LEU B 43 -0.759 -15.308 -3.405 1.00 0.00 H new ATOM 0 HG LEU B 43 0.994 -14.462 -1.421 1.00 0.00 H new ATOM 0 HD11 LEU B 43 3.235 -14.553 -2.551 1.00 0.00 H new ATOM 0 HD12 LEU B 43 2.645 -16.179 -2.131 1.00 0.00 H new ATOM 0 HD13 LEU B 43 2.537 -15.599 -3.810 1.00 0.00 H new ATOM 0 HD21 LEU B 43 1.723 -12.780 -3.118 1.00 0.00 H new ATOM 0 HD22 LEU B 43 0.991 -13.778 -4.397 1.00 0.00 H new ATOM 0 HD23 LEU B 43 -0.039 -13.032 -3.152 1.00 0.00 H new ATOM 1565 N GLU B 44 0.556 -16.227 0.635 1.00 0.00 N ATOM 1566 CA GLU B 44 1.377 -16.755 1.734 1.00 0.00 C ATOM 1567 C GLU B 44 0.664 -17.870 2.523 1.00 0.00 C ATOM 1568 O GLU B 44 1.308 -18.850 2.900 1.00 0.00 O ATOM 1569 CB GLU B 44 1.808 -15.601 2.658 1.00 0.00 C ATOM 1570 CG GLU B 44 3.069 -15.888 3.493 1.00 0.00 C ATOM 1571 CD GLU B 44 2.837 -16.744 4.759 1.00 0.00 C ATOM 1572 OE1 GLU B 44 1.803 -16.570 5.450 1.00 0.00 O ATOM 1573 OE2 GLU B 44 3.735 -17.545 5.118 1.00 0.00 O ATOM 0 H GLU B 44 0.225 -15.275 0.793 1.00 0.00 H new ATOM 0 HA GLU B 44 2.264 -17.215 1.298 1.00 0.00 H new ATOM 0 HB2 GLU B 44 1.984 -14.713 2.051 1.00 0.00 H new ATOM 0 HB3 GLU B 44 0.986 -15.367 3.334 1.00 0.00 H new ATOM 0 HG2 GLU B 44 3.798 -16.394 2.860 1.00 0.00 H new ATOM 0 HG3 GLU B 44 3.512 -14.938 3.792 1.00 0.00 H new ATOM 1580 N THR B 45 -0.660 -17.786 2.728 1.00 0.00 N ATOM 1581 CA THR B 45 -1.433 -18.795 3.484 1.00 0.00 C ATOM 1582 C THR B 45 -1.360 -20.195 2.854 1.00 0.00 C ATOM 1583 O THR B 45 -1.331 -21.198 3.572 1.00 0.00 O ATOM 1584 CB THR B 45 -2.901 -18.342 3.657 1.00 0.00 C ATOM 1585 OG1 THR B 45 -2.946 -17.209 4.495 1.00 0.00 O ATOM 1586 CG2 THR B 45 -3.809 -19.379 4.323 1.00 0.00 C ATOM 0 H THR B 45 -1.229 -17.017 2.375 1.00 0.00 H new ATOM 0 HA THR B 45 -0.972 -18.873 4.468 1.00 0.00 H new ATOM 0 HB THR B 45 -3.259 -18.158 2.644 1.00 0.00 H new ATOM 0 HG1 THR B 45 -2.691 -16.413 3.983 1.00 0.00 H new ATOM 0 HG21 THR B 45 -4.820 -18.979 4.405 1.00 0.00 H new ATOM 0 HG22 THR B 45 -3.826 -20.288 3.721 1.00 0.00 H new ATOM 0 HG23 THR B 45 -3.429 -19.610 5.318 1.00 0.00 H new ATOM 1594 N ILE B 46 -1.291 -20.283 1.521 1.00 0.00 N ATOM 1595 CA ILE B 46 -1.334 -21.553 0.777 1.00 0.00 C ATOM 1596 C ILE B 46 -0.145 -22.484 1.075 1.00 0.00 C ATOM 1597 O ILE B 46 -0.334 -23.701 1.142 1.00 0.00 O ATOM 1598 CB ILE B 46 -1.464 -21.266 -0.737 1.00 0.00 C ATOM 1599 CG1 ILE B 46 -2.740 -20.462 -1.085 1.00 0.00 C ATOM 1600 CG2 ILE B 46 -1.439 -22.552 -1.581 1.00 0.00 C ATOM 1601 CD1 ILE B 46 -4.043 -20.923 -0.416 1.00 0.00 C ATOM 0 H ILE B 46 -1.203 -19.465 0.918 1.00 0.00 H new ATOM 0 HA ILE B 46 -2.214 -22.097 1.121 1.00 0.00 H new ATOM 0 HB ILE B 46 -0.592 -20.661 -0.985 1.00 0.00 H new ATOM 0 HG12 ILE B 46 -2.570 -19.419 -0.818 1.00 0.00 H new ATOM 0 HG13 ILE B 46 -2.881 -20.496 -2.165 1.00 0.00 H new ATOM 0 HG21 ILE B 46 -1.533 -22.296 -2.636 1.00 0.00 H new ATOM 0 HG22 ILE B 46 -0.498 -23.076 -1.417 1.00 0.00 H new ATOM 0 HG23 ILE B 46 -2.268 -23.196 -1.288 1.00 0.00 H new ATOM 0 HD11 ILE B 46 -4.864 -20.282 -0.738 1.00 0.00 H new ATOM 0 HD12 ILE B 46 -4.253 -21.954 -0.701 1.00 0.00 H new ATOM 0 HD13 ILE B 46 -3.938 -20.860 0.667 1.00 0.00 H new ATOM 1613 N LEU B 47 1.066 -21.951 1.288 1.00 0.00 N ATOM 1614 CA LEU B 47 2.272 -22.774 1.489 1.00 0.00 C ATOM 1615 C LEU B 47 2.255 -23.615 2.786 1.00 0.00 C ATOM 1616 O LEU B 47 3.011 -24.582 2.900 1.00 0.00 O ATOM 1617 CB LEU B 47 3.539 -21.908 1.325 1.00 0.00 C ATOM 1618 CG LEU B 47 3.904 -20.995 2.516 1.00 0.00 C ATOM 1619 CD1 LEU B 47 4.881 -21.661 3.490 1.00 0.00 C ATOM 1620 CD2 LEU B 47 4.574 -19.717 2.005 1.00 0.00 C ATOM 0 H LEU B 47 1.239 -20.947 1.326 1.00 0.00 H new ATOM 0 HA LEU B 47 2.283 -23.531 0.705 1.00 0.00 H new ATOM 0 HB2 LEU B 47 4.383 -22.570 1.131 1.00 0.00 H new ATOM 0 HB3 LEU B 47 3.414 -21.283 0.441 1.00 0.00 H new ATOM 0 HG LEU B 47 2.971 -20.783 3.038 1.00 0.00 H new ATOM 0 HD11 LEU B 47 5.104 -20.976 4.308 1.00 0.00 H new ATOM 0 HD12 LEU B 47 4.433 -22.570 3.890 1.00 0.00 H new ATOM 0 HD13 LEU B 47 5.803 -21.912 2.966 1.00 0.00 H new ATOM 0 HD21 LEU B 47 4.829 -19.077 2.850 1.00 0.00 H new ATOM 0 HD22 LEU B 47 5.481 -19.975 1.459 1.00 0.00 H new ATOM 0 HD23 LEU B 47 3.890 -19.187 1.342 1.00 0.00 H new ATOM 1632 N GLY B 48 1.369 -23.291 3.737 1.00 0.00 N ATOM 1633 CA GLY B 48 1.134 -24.069 4.960 1.00 0.00 C ATOM 1634 C GLY B 48 0.270 -25.329 4.766 1.00 0.00 C ATOM 1635 O GLY B 48 0.143 -26.142 5.682 1.00 0.00 O ATOM 0 H GLY B 48 0.781 -22.460 3.675 1.00 0.00 H new ATOM 0 HA2 GLY B 48 2.097 -24.366 5.376 1.00 0.00 H new ATOM 0 HA3 GLY B 48 0.653 -23.425 5.697 1.00 0.00 H new HETATM 1639 N NH2 B 49 -0.331 -25.535 3.598 1.00 0.00 N TER 1642 NH2 B 49 HETATM 1643 ZN ZN A 50 -3.931 -4.565 -7.697 1.00 0.00 ZN HETATM 1644 ZN ZN B 50 -1.405 -7.177 -5.631 1.00 0.00 ZN