USER MOD reduce.3.24.130724 H: found=0, std=0, add=818, 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 NoAdj-H: B 39 HIS HD1 : B 39 HIS ND1 : B 50 ZNZN :(H bumps) USER MOD Single : A 2 TYR OH : rot 180: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=-0.0048) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= 0.727 K(o=0.73,f=0) USER MOD Single : A 17 TYR OH : rot 180:sc= -0.341 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot -70:sc= 0.722 USER MOD Single : A 25 HIS : no HD1:sc= -0.142 X(o=-0.14,f=0) USER MOD Single : A 26 ASN : amide:sc= -0.074 K(o=-0.074,f=-1.3) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ -171:sc= 1.27 (180deg=1.16) USER MOD Single : A 45 THR OG1 : rot 72:sc= 0.135 USER MOD Single : B 2 TYR OH : rot 130: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) USER MOD Single : B 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 16 GLN : amide:sc= 0.171 K(o=0.17,f=-0.95) USER MOD Single : B 17 TYR OH : rot 180:sc= 0 USER MOD Single : B 23 TYR OH : rot 180:sc= 0 USER MOD Single : B 24 THR OG1 : rot 56:sc= 0.204 USER MOD Single : B 25 HIS : no HD1:sc= -0.362 X(o=-0.36,f=-0.009) USER MOD Single : B 26 ASN :FLIP amide:sc= -0.312 F(o=-0.84,f=-0.31) USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 38 LYS NZ :NH3+ -169:sc= 1.24 (180deg=1.16) USER MOD Single : B 45 THR OG1 : rot 74:sc= 1.11 USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 0 2.697 12.473 -11.454 1.00 0.00 C HETATM 2 O ACE A 0 2.928 12.534 -12.659 1.00 0.00 O HETATM 3 CH3 ACE A 0 1.862 13.539 -10.783 1.00 0.00 C HETATM 0 H1 ACE A 0 0.979 13.082 -10.336 1.00 0.00 H new HETATM 0 H2 ACE A 0 2.451 14.027 -10.006 1.00 0.00 H new HETATM 0 H3 ACE A 0 1.553 14.278 -11.522 1.00 0.00 H new ATOM 7 N ASP A 1 3.144 11.497 -10.664 1.00 0.00 N ATOM 8 CA ASP A 1 4.063 10.424 -11.099 1.00 0.00 C ATOM 9 C ASP A 1 3.707 9.030 -10.555 1.00 0.00 C ATOM 10 O ASP A 1 3.980 8.016 -11.197 1.00 0.00 O ATOM 11 CB ASP A 1 5.482 10.806 -10.660 1.00 0.00 C ATOM 12 CG ASP A 1 6.558 9.923 -11.316 1.00 0.00 C ATOM 13 OD1 ASP A 1 6.747 10.012 -12.553 1.00 0.00 O ATOM 14 OD2 ASP A 1 7.246 9.165 -10.590 1.00 0.00 O ATOM 0 H ASP A 1 2.877 11.421 -9.682 1.00 0.00 H new ATOM 0 HA ASP A 1 3.979 10.344 -12.183 1.00 0.00 H new ATOM 0 HB2 ASP A 1 5.669 11.850 -10.913 1.00 0.00 H new ATOM 0 HB3 ASP A 1 5.559 10.722 -9.576 1.00 0.00 H new ATOM 19 N TYR A 2 3.041 8.978 -9.399 1.00 0.00 N ATOM 20 CA TYR A 2 2.585 7.738 -8.750 1.00 0.00 C ATOM 21 C TYR A 2 1.747 6.837 -9.672 1.00 0.00 C ATOM 22 O TYR A 2 1.876 5.617 -9.644 1.00 0.00 O ATOM 23 CB TYR A 2 1.816 8.075 -7.459 1.00 0.00 C ATOM 24 CG TYR A 2 0.429 8.687 -7.622 1.00 0.00 C ATOM 25 CD1 TYR A 2 0.275 10.074 -7.825 1.00 0.00 C ATOM 26 CD2 TYR A 2 -0.714 7.867 -7.532 1.00 0.00 C ATOM 27 CE1 TYR A 2 -1.012 10.634 -7.950 1.00 0.00 C ATOM 28 CE2 TYR A 2 -2.003 8.423 -7.655 1.00 0.00 C ATOM 29 CZ TYR A 2 -2.156 9.812 -7.862 1.00 0.00 C ATOM 30 OH TYR A 2 -3.394 10.363 -7.985 1.00 0.00 O ATOM 0 H TYR A 2 2.796 9.816 -8.872 1.00 0.00 H new ATOM 0 HA TYR A 2 3.477 7.161 -8.505 1.00 0.00 H new ATOM 0 HB2 TYR A 2 1.717 7.160 -6.875 1.00 0.00 H new ATOM 0 HB3 TYR A 2 2.424 8.764 -6.872 1.00 0.00 H new ATOM 0 HD1 TYR A 2 1.146 10.709 -7.885 1.00 0.00 H new ATOM 0 HD2 TYR A 2 -0.601 6.806 -7.368 1.00 0.00 H new ATOM 0 HE1 TYR A 2 -1.123 11.696 -8.114 1.00 0.00 H new ATOM 0 HE2 TYR A 2 -2.874 7.787 -7.591 1.00 0.00 H new ATOM 0 HH TYR A 2 -4.074 9.662 -7.902 1.00 0.00 H new ATOM 40 N LEU A 3 0.939 7.451 -10.536 1.00 0.00 N ATOM 41 CA LEU A 3 0.046 6.806 -11.510 1.00 0.00 C ATOM 42 C LEU A 3 0.839 5.994 -12.541 1.00 0.00 C ATOM 43 O LEU A 3 0.503 4.840 -12.814 1.00 0.00 O ATOM 44 CB LEU A 3 -0.766 7.903 -12.229 1.00 0.00 C ATOM 45 CG LEU A 3 -1.664 8.741 -11.295 1.00 0.00 C ATOM 46 CD1 LEU A 3 -1.734 10.194 -11.767 1.00 0.00 C ATOM 47 CD2 LEU A 3 -3.081 8.175 -11.226 1.00 0.00 C ATOM 0 H LEU A 3 0.884 8.469 -10.581 1.00 0.00 H new ATOM 0 HA LEU A 3 -0.616 6.119 -10.983 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -0.076 8.570 -12.746 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -1.390 7.437 -12.992 1.00 0.00 H new ATOM 0 HG LEU A 3 -1.216 8.699 -10.302 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -2.373 10.765 -11.093 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -0.733 10.624 -11.770 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -2.147 10.230 -12.775 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -3.686 8.790 -10.559 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -3.523 8.177 -12.223 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -3.047 7.154 -10.847 1.00 0.00 H new ATOM 59 N ARG A 4 1.925 6.577 -13.069 1.00 0.00 N ATOM 60 CA ARG A 4 2.867 5.914 -13.984 1.00 0.00 C ATOM 61 C ARG A 4 3.492 4.688 -13.320 1.00 0.00 C ATOM 62 O ARG A 4 3.533 3.615 -13.920 1.00 0.00 O ATOM 63 CB ARG A 4 3.956 6.920 -14.416 1.00 0.00 C ATOM 64 CG ARG A 4 4.824 6.410 -15.578 1.00 0.00 C ATOM 65 CD ARG A 4 4.234 6.755 -16.955 1.00 0.00 C ATOM 66 NE ARG A 4 4.950 7.889 -17.577 1.00 0.00 N ATOM 67 CZ ARG A 4 4.702 8.441 -18.751 1.00 0.00 C ATOM 68 NH1 ARG A 4 3.691 8.079 -19.490 1.00 0.00 N ATOM 69 NH2 ARG A 4 5.483 9.376 -19.214 1.00 0.00 N ATOM 0 H ARG A 4 2.179 7.544 -12.868 1.00 0.00 H new ATOM 0 HA ARG A 4 2.328 5.573 -14.868 1.00 0.00 H new ATOM 0 HB2 ARG A 4 3.481 7.856 -14.709 1.00 0.00 H new ATOM 0 HB3 ARG A 4 4.597 7.141 -13.562 1.00 0.00 H new ATOM 0 HG2 ARG A 4 5.822 6.841 -15.497 1.00 0.00 H new ATOM 0 HG3 ARG A 4 4.935 5.329 -15.496 1.00 0.00 H new ATOM 0 HD2 ARG A 4 4.293 5.883 -17.607 1.00 0.00 H new ATOM 0 HD3 ARG A 4 3.178 7.003 -16.849 1.00 0.00 H new ATOM 0 HE ARG A 4 5.720 8.289 -17.041 1.00 0.00 H new ATOM 0 HH11 ARG A 4 3.059 7.346 -19.167 1.00 0.00 H new ATOM 0 HH12 ARG A 4 3.531 8.529 -20.392 1.00 0.00 H new ATOM 0 HH21 ARG A 4 6.289 9.684 -18.669 1.00 0.00 H new ATOM 0 HH22 ARG A 4 5.289 9.800 -20.121 1.00 0.00 H new ATOM 83 N GLU A 5 3.941 4.838 -12.074 1.00 0.00 N ATOM 84 CA GLU A 5 4.573 3.749 -11.313 1.00 0.00 C ATOM 85 C GLU A 5 3.588 2.598 -11.028 1.00 0.00 C ATOM 86 O GLU A 5 3.929 1.424 -11.187 1.00 0.00 O ATOM 87 CB GLU A 5 5.182 4.330 -10.029 1.00 0.00 C ATOM 88 CG GLU A 5 5.951 3.289 -9.211 1.00 0.00 C ATOM 89 CD GLU A 5 6.704 3.964 -8.045 1.00 0.00 C ATOM 90 OE1 GLU A 5 6.048 4.355 -7.050 1.00 0.00 O ATOM 91 OE2 GLU A 5 7.949 4.099 -8.126 1.00 0.00 O ATOM 0 H GLU A 5 3.879 5.717 -11.559 1.00 0.00 H new ATOM 0 HA GLU A 5 5.370 3.308 -11.911 1.00 0.00 H new ATOM 0 HB2 GLU A 5 5.853 5.149 -10.289 1.00 0.00 H new ATOM 0 HB3 GLU A 5 4.387 4.753 -9.415 1.00 0.00 H new ATOM 0 HG2 GLU A 5 5.260 2.542 -8.821 1.00 0.00 H new ATOM 0 HG3 GLU A 5 6.659 2.764 -9.853 1.00 0.00 H new ATOM 98 N LEU A 6 2.343 2.938 -10.680 1.00 0.00 N ATOM 99 CA LEU A 6 1.214 2.026 -10.499 1.00 0.00 C ATOM 100 C LEU A 6 0.907 1.206 -11.760 1.00 0.00 C ATOM 101 O LEU A 6 0.982 -0.023 -11.735 1.00 0.00 O ATOM 102 CB LEU A 6 -0.002 2.879 -10.070 1.00 0.00 C ATOM 103 CG LEU A 6 -0.348 2.775 -8.581 1.00 0.00 C ATOM 104 CD1 LEU A 6 0.817 3.048 -7.624 1.00 0.00 C ATOM 105 CD2 LEU A 6 -1.453 3.781 -8.261 1.00 0.00 C ATOM 0 H LEU A 6 2.084 3.910 -10.508 1.00 0.00 H new ATOM 0 HA LEU A 6 1.460 1.291 -9.733 1.00 0.00 H new ATOM 0 HB2 LEU A 6 0.197 3.923 -10.313 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.870 2.575 -10.655 1.00 0.00 H new ATOM 0 HG LEU A 6 -0.649 1.739 -8.423 1.00 0.00 H new ATOM 0 HD11 LEU A 6 0.473 2.950 -6.594 1.00 0.00 H new ATOM 0 HD12 LEU A 6 1.616 2.330 -7.809 1.00 0.00 H new ATOM 0 HD13 LEU A 6 1.192 4.058 -7.787 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -1.708 3.717 -7.203 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -1.105 4.788 -8.490 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -2.335 3.556 -8.861 1.00 0.00 H new ATOM 117 N LEU A 7 0.588 1.883 -12.863 1.00 0.00 N ATOM 118 CA LEU A 7 0.247 1.268 -14.154 1.00 0.00 C ATOM 119 C LEU A 7 1.367 0.392 -14.737 1.00 0.00 C ATOM 120 O LEU A 7 1.112 -0.767 -15.077 1.00 0.00 O ATOM 121 CB LEU A 7 -0.167 2.366 -15.156 1.00 0.00 C ATOM 122 CG LEU A 7 -1.693 2.591 -15.181 1.00 0.00 C ATOM 123 CD1 LEU A 7 -2.060 4.064 -15.017 1.00 0.00 C ATOM 124 CD2 LEU A 7 -2.283 2.084 -16.497 1.00 0.00 C ATOM 0 H LEU A 7 0.558 2.902 -12.888 1.00 0.00 H new ATOM 0 HA LEU A 7 -0.589 0.592 -13.972 1.00 0.00 H new ATOM 0 HB2 LEU A 7 0.331 3.300 -14.895 1.00 0.00 H new ATOM 0 HB3 LEU A 7 0.174 2.091 -16.154 1.00 0.00 H new ATOM 0 HG LEU A 7 -2.107 2.035 -14.340 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -3.144 4.174 -15.041 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -1.679 4.430 -14.064 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -1.619 4.641 -15.829 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -3.360 2.249 -16.500 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -1.831 2.622 -17.330 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -2.079 1.018 -16.600 1.00 0.00 H new ATOM 136 N LYS A 8 2.597 0.915 -14.831 1.00 0.00 N ATOM 137 CA LYS A 8 3.752 0.147 -15.356 1.00 0.00 C ATOM 138 C LYS A 8 4.136 -1.013 -14.443 1.00 0.00 C ATOM 139 O LYS A 8 4.726 -1.989 -14.926 1.00 0.00 O ATOM 140 CB LYS A 8 4.951 1.083 -15.626 1.00 0.00 C ATOM 141 CG LYS A 8 4.646 2.102 -16.738 1.00 0.00 C ATOM 142 CD LYS A 8 5.863 2.977 -17.094 1.00 0.00 C ATOM 143 CE LYS A 8 6.911 2.262 -17.961 1.00 0.00 C ATOM 144 NZ LYS A 8 6.499 2.196 -19.395 1.00 0.00 N ATOM 0 H LYS A 8 2.826 1.869 -14.551 1.00 0.00 H new ATOM 0 HA LYS A 8 3.448 -0.296 -16.304 1.00 0.00 H new ATOM 0 HB2 LYS A 8 5.211 1.613 -14.710 1.00 0.00 H new ATOM 0 HB3 LYS A 8 5.820 0.488 -15.908 1.00 0.00 H new ATOM 0 HG2 LYS A 8 4.312 1.571 -17.630 1.00 0.00 H new ATOM 0 HG3 LYS A 8 3.823 2.743 -16.422 1.00 0.00 H new ATOM 0 HD2 LYS A 8 5.517 3.867 -17.619 1.00 0.00 H new ATOM 0 HD3 LYS A 8 6.337 3.315 -16.173 1.00 0.00 H new ATOM 0 HE2 LYS A 8 7.865 2.784 -17.881 1.00 0.00 H new ATOM 0 HE3 LYS A 8 7.068 1.252 -17.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 7.233 1.706 -19.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 5.602 1.676 -19.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 6.374 3.160 -19.765 1.00 0.00 H new ATOM 158 N GLY A 9 3.769 -0.946 -13.155 1.00 0.00 N ATOM 159 CA GLY A 9 4.098 -1.957 -12.149 1.00 0.00 C ATOM 160 C GLY A 9 3.099 -3.086 -11.952 1.00 0.00 C ATOM 161 O GLY A 9 3.486 -4.250 -12.012 1.00 0.00 O ATOM 0 H GLY A 9 3.224 -0.170 -12.779 1.00 0.00 H new ATOM 0 HA2 GLY A 9 5.059 -2.398 -12.413 1.00 0.00 H new ATOM 0 HA3 GLY A 9 4.231 -1.452 -11.192 1.00 0.00 H new ATOM 165 N GLU A 10 1.825 -2.776 -11.738 1.00 0.00 N ATOM 166 CA GLU A 10 0.803 -3.830 -11.566 1.00 0.00 C ATOM 167 C GLU A 10 0.643 -4.688 -12.828 1.00 0.00 C ATOM 168 O GLU A 10 0.321 -5.872 -12.689 1.00 0.00 O ATOM 169 CB GLU A 10 -0.551 -3.269 -11.080 1.00 0.00 C ATOM 170 CG GLU A 10 -0.573 -2.992 -9.562 1.00 0.00 C ATOM 171 CD GLU A 10 -1.738 -3.661 -8.827 1.00 0.00 C ATOM 172 OE1 GLU A 10 -2.942 -3.335 -8.788 1.00 0.00 O ATOM 173 OE2 GLU A 10 -1.620 -4.631 -8.066 1.00 0.00 O ATOM 0 H GLU A 10 1.468 -1.822 -11.678 1.00 0.00 H new ATOM 0 HA GLU A 10 1.170 -4.485 -10.776 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -0.770 -2.346 -11.616 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -1.342 -3.977 -11.327 1.00 0.00 H new ATOM 0 HG2 GLU A 10 0.365 -3.336 -9.126 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -0.624 -1.915 -9.400 1.00 0.00 H new ATOM 180 N LEU A 11 0.930 -4.183 -14.048 1.00 0.00 N ATOM 181 CA LEU A 11 0.800 -5.046 -15.234 1.00 0.00 C ATOM 182 C LEU A 11 1.808 -6.208 -15.230 1.00 0.00 C ATOM 183 O LEU A 11 1.534 -7.312 -15.705 1.00 0.00 O ATOM 184 CB LEU A 11 0.788 -4.148 -16.482 1.00 0.00 C ATOM 185 CG LEU A 11 2.075 -4.149 -17.313 1.00 0.00 C ATOM 186 CD1 LEU A 11 2.101 -5.265 -18.363 1.00 0.00 C ATOM 187 CD2 LEU A 11 2.226 -2.819 -18.045 1.00 0.00 C ATOM 0 H LEU A 11 1.239 -3.228 -14.231 1.00 0.00 H new ATOM 0 HA LEU A 11 -0.150 -5.581 -15.229 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -0.037 -4.459 -17.123 1.00 0.00 H new ATOM 0 HB3 LEU A 11 0.580 -3.125 -16.169 1.00 0.00 H new ATOM 0 HG LEU A 11 2.892 -4.312 -16.610 1.00 0.00 H new ATOM 0 HD11 LEU A 11 3.036 -5.217 -18.922 1.00 0.00 H new ATOM 0 HD12 LEU A 11 2.024 -6.233 -17.867 1.00 0.00 H new ATOM 0 HD13 LEU A 11 1.262 -5.140 -19.048 1.00 0.00 H new ATOM 0 HD21 LEU A 11 3.144 -2.829 -18.633 1.00 0.00 H new ATOM 0 HD22 LEU A 11 1.373 -2.669 -18.707 1.00 0.00 H new ATOM 0 HD23 LEU A 11 2.269 -2.007 -17.319 1.00 0.00 H new ATOM 199 N GLN A 12 2.945 -5.962 -14.586 1.00 0.00 N ATOM 200 CA GLN A 12 4.084 -6.843 -14.399 1.00 0.00 C ATOM 201 C GLN A 12 3.771 -7.996 -13.415 1.00 0.00 C ATOM 202 O GLN A 12 4.536 -8.954 -13.303 1.00 0.00 O ATOM 203 CB GLN A 12 5.272 -5.943 -13.972 1.00 0.00 C ATOM 204 CG GLN A 12 6.558 -6.206 -14.778 1.00 0.00 C ATOM 205 CD GLN A 12 7.155 -7.607 -14.617 1.00 0.00 C ATOM 206 OE1 GLN A 12 6.815 -8.540 -15.335 1.00 0.00 O ATOM 207 NE2 GLN A 12 8.103 -7.800 -13.715 1.00 0.00 N ATOM 0 H GLN A 12 3.103 -5.057 -14.143 1.00 0.00 H new ATOM 0 HA GLN A 12 4.344 -7.364 -15.321 1.00 0.00 H new ATOM 0 HB2 GLN A 12 4.986 -4.898 -14.088 1.00 0.00 H new ATOM 0 HB3 GLN A 12 5.477 -6.102 -12.913 1.00 0.00 H new ATOM 0 HG2 GLN A 12 6.346 -6.038 -15.834 1.00 0.00 H new ATOM 0 HG3 GLN A 12 7.309 -5.473 -14.483 1.00 0.00 H new ATOM 0 HE21 GLN A 12 8.396 -7.032 -13.111 1.00 0.00 H new ATOM 0 HE22 GLN A 12 8.541 -8.717 -13.624 1.00 0.00 H new ATOM 216 N GLY A 13 2.609 -7.946 -12.749 1.00 0.00 N ATOM 217 CA GLY A 13 2.069 -9.019 -11.917 1.00 0.00 C ATOM 218 C GLY A 13 0.999 -9.832 -12.646 1.00 0.00 C ATOM 219 O GLY A 13 1.051 -11.062 -12.592 1.00 0.00 O ATOM 0 H GLY A 13 2.002 -7.127 -12.779 1.00 0.00 H new ATOM 0 HA2 GLY A 13 2.879 -9.681 -11.609 1.00 0.00 H new ATOM 0 HA3 GLY A 13 1.643 -8.593 -11.009 1.00 0.00 H new ATOM 223 N ILE A 14 0.074 -9.189 -13.384 1.00 0.00 N ATOM 224 CA ILE A 14 -1.097 -9.892 -13.975 1.00 0.00 C ATOM 225 C ILE A 14 -0.661 -11.065 -14.862 1.00 0.00 C ATOM 226 O ILE A 14 -1.155 -12.186 -14.725 1.00 0.00 O ATOM 227 CB ILE A 14 -2.003 -8.937 -14.787 1.00 0.00 C ATOM 228 CG1 ILE A 14 -2.552 -7.791 -13.917 1.00 0.00 C ATOM 229 CG2 ILE A 14 -3.189 -9.704 -15.417 1.00 0.00 C ATOM 230 CD1 ILE A 14 -3.193 -6.672 -14.744 1.00 0.00 C ATOM 0 H ILE A 14 0.108 -8.190 -13.588 1.00 0.00 H new ATOM 0 HA ILE A 14 -1.674 -10.279 -13.135 1.00 0.00 H new ATOM 0 HB ILE A 14 -1.382 -8.511 -15.575 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -3.290 -8.191 -13.221 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -1.742 -7.375 -13.318 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -3.811 -9.011 -15.983 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -2.809 -10.478 -16.084 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -3.784 -10.165 -14.629 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -3.562 -5.892 -14.077 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -2.451 -6.249 -15.421 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -4.023 -7.077 -15.323 1.00 0.00 H new ATOM 242 N LYS A 15 0.299 -10.811 -15.757 1.00 0.00 N ATOM 243 CA LYS A 15 0.805 -11.806 -16.708 1.00 0.00 C ATOM 244 C LYS A 15 1.689 -12.879 -16.076 1.00 0.00 C ATOM 245 O LYS A 15 1.831 -13.957 -16.654 1.00 0.00 O ATOM 246 CB LYS A 15 1.502 -11.098 -17.883 1.00 0.00 C ATOM 247 CG LYS A 15 0.450 -10.711 -18.933 1.00 0.00 C ATOM 248 CD LYS A 15 1.039 -9.845 -20.051 1.00 0.00 C ATOM 249 CE LYS A 15 -0.003 -9.697 -21.166 1.00 0.00 C ATOM 250 NZ LYS A 15 0.443 -8.737 -22.212 1.00 0.00 N ATOM 0 H LYS A 15 0.751 -9.901 -15.842 1.00 0.00 H new ATOM 0 HA LYS A 15 -0.059 -12.354 -17.084 1.00 0.00 H new ATOM 0 HB2 LYS A 15 2.025 -10.209 -17.530 1.00 0.00 H new ATOM 0 HB3 LYS A 15 2.252 -11.754 -18.326 1.00 0.00 H new ATOM 0 HG2 LYS A 15 0.020 -11.615 -19.364 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -0.363 -10.171 -18.448 1.00 0.00 H new ATOM 0 HD2 LYS A 15 1.317 -8.865 -19.662 1.00 0.00 H new ATOM 0 HD3 LYS A 15 1.948 -10.302 -20.443 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -0.190 -10.670 -21.621 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -0.947 -9.358 -20.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -0.287 -8.663 -22.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 0.597 -7.803 -21.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 1.331 -9.074 -22.637 1.00 0.00 H new ATOM 264 N GLN A 16 2.237 -12.631 -14.884 1.00 0.00 N ATOM 265 CA GLN A 16 3.015 -13.621 -14.155 1.00 0.00 C ATOM 266 C GLN A 16 2.132 -14.585 -13.343 1.00 0.00 C ATOM 267 O GLN A 16 2.427 -15.776 -13.255 1.00 0.00 O ATOM 268 CB GLN A 16 4.027 -12.940 -13.240 1.00 0.00 C ATOM 269 CG GLN A 16 5.381 -12.931 -13.959 1.00 0.00 C ATOM 270 CD GLN A 16 6.453 -12.387 -13.045 1.00 0.00 C ATOM 271 OE1 GLN A 16 7.383 -13.060 -12.619 1.00 0.00 O ATOM 272 NE2 GLN A 16 6.311 -11.142 -12.678 1.00 0.00 N ATOM 0 H GLN A 16 2.151 -11.736 -14.402 1.00 0.00 H new ATOM 0 HA GLN A 16 3.544 -14.216 -14.900 1.00 0.00 H new ATOM 0 HB2 GLN A 16 3.710 -11.923 -13.011 1.00 0.00 H new ATOM 0 HB3 GLN A 16 4.102 -13.472 -12.292 1.00 0.00 H new ATOM 0 HG2 GLN A 16 5.640 -13.942 -14.274 1.00 0.00 H new ATOM 0 HG3 GLN A 16 5.318 -12.322 -14.861 1.00 0.00 H new ATOM 0 HE21 GLN A 16 5.533 -10.590 -13.038 1.00 0.00 H new ATOM 0 HE22 GLN A 16 6.978 -10.722 -12.031 1.00 0.00 H new ATOM 281 N TYR A 17 1.018 -14.088 -12.791 1.00 0.00 N ATOM 282 CA TYR A 17 0.034 -14.883 -12.042 1.00 0.00 C ATOM 283 C TYR A 17 -0.504 -16.071 -12.845 1.00 0.00 C ATOM 284 O TYR A 17 -0.738 -17.145 -12.285 1.00 0.00 O ATOM 285 CB TYR A 17 -1.145 -13.998 -11.607 1.00 0.00 C ATOM 286 CG TYR A 17 -0.944 -13.288 -10.283 1.00 0.00 C ATOM 287 CD1 TYR A 17 -0.860 -14.034 -9.092 1.00 0.00 C ATOM 288 CD2 TYR A 17 -0.878 -11.883 -10.238 1.00 0.00 C ATOM 289 CE1 TYR A 17 -0.666 -13.376 -7.864 1.00 0.00 C ATOM 290 CE2 TYR A 17 -0.661 -11.222 -9.015 1.00 0.00 C ATOM 291 CZ TYR A 17 -0.537 -11.971 -7.827 1.00 0.00 C ATOM 292 OH TYR A 17 -0.356 -11.334 -6.640 1.00 0.00 O ATOM 0 H TYR A 17 0.769 -13.101 -12.853 1.00 0.00 H new ATOM 0 HA TYR A 17 0.555 -15.279 -11.170 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -1.328 -13.252 -12.381 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -2.041 -14.615 -11.541 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -0.944 -15.110 -9.121 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -0.994 -11.310 -11.146 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -0.616 -13.947 -6.948 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -0.590 -10.145 -8.986 1.00 0.00 H new ATOM 0 HH TYR A 17 -0.285 -10.369 -6.794 1.00 0.00 H new ATOM 302 N ARG A 18 -0.656 -15.899 -14.164 1.00 0.00 N ATOM 303 CA ARG A 18 -1.099 -16.977 -15.062 1.00 0.00 C ATOM 304 C ARG A 18 -0.129 -18.167 -15.084 1.00 0.00 C ATOM 305 O ARG A 18 -0.553 -19.308 -15.265 1.00 0.00 O ATOM 306 CB ARG A 18 -1.329 -16.435 -16.487 1.00 0.00 C ATOM 307 CG ARG A 18 -2.793 -16.528 -16.943 1.00 0.00 C ATOM 308 CD ARG A 18 -3.689 -15.481 -16.262 1.00 0.00 C ATOM 309 NE ARG A 18 -5.093 -15.592 -16.711 1.00 0.00 N ATOM 310 CZ ARG A 18 -5.610 -15.178 -17.857 1.00 0.00 C ATOM 311 NH1 ARG A 18 -4.899 -14.581 -18.774 1.00 0.00 N ATOM 312 NH2 ARG A 18 -6.874 -15.362 -18.113 1.00 0.00 N ATOM 0 H ARG A 18 -0.477 -15.014 -14.639 1.00 0.00 H new ATOM 0 HA ARG A 18 -2.044 -17.350 -14.666 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -1.008 -15.394 -16.529 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -0.702 -16.990 -17.185 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -2.843 -16.396 -18.024 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -3.175 -17.525 -16.726 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -3.641 -15.608 -15.181 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -3.314 -14.482 -16.482 1.00 0.00 H new ATOM 0 HE ARG A 18 -5.739 -16.040 -16.061 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -3.904 -14.417 -18.622 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -5.338 -14.278 -19.643 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -7.471 -15.827 -17.429 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -7.267 -15.041 -18.998 1.00 0.00 H new ATOM 326 N GLU A 19 1.163 -17.903 -14.884 1.00 0.00 N ATOM 327 CA GLU A 19 2.231 -18.912 -14.845 1.00 0.00 C ATOM 328 C GLU A 19 2.326 -19.599 -13.472 1.00 0.00 C ATOM 329 O GLU A 19 2.557 -20.802 -13.391 1.00 0.00 O ATOM 330 CB GLU A 19 3.554 -18.201 -15.181 1.00 0.00 C ATOM 331 CG GLU A 19 4.583 -19.074 -15.915 1.00 0.00 C ATOM 332 CD GLU A 19 5.325 -20.084 -15.008 1.00 0.00 C ATOM 333 OE1 GLU A 19 5.931 -19.669 -13.990 1.00 0.00 O ATOM 334 OE2 GLU A 19 5.363 -21.291 -15.349 1.00 0.00 O ATOM 0 H GLU A 19 1.509 -16.954 -14.740 1.00 0.00 H new ATOM 0 HA GLU A 19 2.013 -19.697 -15.569 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.335 -17.327 -15.795 1.00 0.00 H new ATOM 0 HB3 GLU A 19 4.000 -17.837 -14.256 1.00 0.00 H new ATOM 0 HG2 GLU A 19 4.076 -19.622 -16.710 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.317 -18.425 -16.393 1.00 0.00 H new ATOM 341 N ALA A 20 2.094 -18.859 -12.385 1.00 0.00 N ATOM 342 CA ALA A 20 2.181 -19.361 -11.010 1.00 0.00 C ATOM 343 C ALA A 20 1.145 -20.449 -10.707 1.00 0.00 C ATOM 344 O ALA A 20 1.442 -21.382 -9.959 1.00 0.00 O ATOM 345 CB ALA A 20 2.050 -18.177 -10.043 1.00 0.00 C ATOM 0 H ALA A 20 1.835 -17.874 -12.436 1.00 0.00 H new ATOM 0 HA ALA A 20 3.152 -19.839 -10.880 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.113 -18.537 -9.016 1.00 0.00 H new ATOM 0 HB2 ALA A 20 2.855 -17.465 -10.228 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.089 -17.686 -10.197 1.00 0.00 H new ATOM 351 N LEU A 21 -0.032 -20.387 -11.339 1.00 0.00 N ATOM 352 CA LEU A 21 -1.069 -21.422 -11.291 1.00 0.00 C ATOM 353 C LEU A 21 -0.543 -22.815 -11.662 1.00 0.00 C ATOM 354 O LEU A 21 -1.082 -23.795 -11.153 1.00 0.00 O ATOM 355 CB LEU A 21 -2.257 -20.961 -12.156 1.00 0.00 C ATOM 356 CG LEU A 21 -3.415 -21.978 -12.269 1.00 0.00 C ATOM 357 CD1 LEU A 21 -4.771 -21.274 -12.290 1.00 0.00 C ATOM 358 CD2 LEU A 21 -3.313 -22.822 -13.546 1.00 0.00 C ATOM 0 H LEU A 21 -0.297 -19.589 -11.916 1.00 0.00 H new ATOM 0 HA LEU A 21 -1.412 -21.542 -10.263 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.649 -20.031 -11.743 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -1.892 -20.736 -13.158 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.334 -22.622 -11.393 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -5.565 -22.016 -12.370 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -4.899 -20.703 -11.370 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -4.817 -20.599 -13.145 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.146 -23.524 -13.586 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -3.347 -22.169 -14.418 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.373 -23.374 -13.543 1.00 0.00 H new ATOM 370 N GLU A 22 0.540 -22.941 -12.439 1.00 0.00 N ATOM 371 CA GLU A 22 1.138 -24.273 -12.672 1.00 0.00 C ATOM 372 C GLU A 22 1.646 -24.955 -11.390 1.00 0.00 C ATOM 373 O GLU A 22 1.640 -26.184 -11.295 1.00 0.00 O ATOM 374 CB GLU A 22 2.281 -24.227 -13.699 1.00 0.00 C ATOM 375 CG GLU A 22 1.884 -24.848 -15.046 1.00 0.00 C ATOM 376 CD GLU A 22 1.652 -26.372 -14.939 1.00 0.00 C ATOM 377 OE1 GLU A 22 0.512 -26.801 -14.628 1.00 0.00 O ATOM 378 OE2 GLU A 22 2.606 -27.153 -15.180 1.00 0.00 O ATOM 0 H GLU A 22 1.012 -22.167 -12.906 1.00 0.00 H new ATOM 0 HA GLU A 22 0.317 -24.871 -13.068 1.00 0.00 H new ATOM 0 HB2 GLU A 22 2.584 -23.192 -13.855 1.00 0.00 H new ATOM 0 HB3 GLU A 22 3.146 -24.756 -13.299 1.00 0.00 H new ATOM 0 HG2 GLU A 22 0.976 -24.369 -15.412 1.00 0.00 H new ATOM 0 HG3 GLU A 22 2.666 -24.652 -15.780 1.00 0.00 H new ATOM 385 N TYR A 23 2.032 -24.160 -10.390 1.00 0.00 N ATOM 386 CA TYR A 23 2.502 -24.627 -9.080 1.00 0.00 C ATOM 387 C TYR A 23 1.450 -24.411 -7.974 1.00 0.00 C ATOM 388 O TYR A 23 1.610 -24.906 -6.856 1.00 0.00 O ATOM 389 CB TYR A 23 3.808 -23.890 -8.746 1.00 0.00 C ATOM 390 CG TYR A 23 4.875 -23.984 -9.824 1.00 0.00 C ATOM 391 CD1 TYR A 23 5.706 -25.119 -9.902 1.00 0.00 C ATOM 392 CD2 TYR A 23 5.012 -22.946 -10.769 1.00 0.00 C ATOM 393 CE1 TYR A 23 6.673 -25.218 -10.923 1.00 0.00 C ATOM 394 CE2 TYR A 23 5.972 -23.045 -11.793 1.00 0.00 C ATOM 395 CZ TYR A 23 6.807 -24.181 -11.874 1.00 0.00 C ATOM 396 OH TYR A 23 7.735 -24.272 -12.866 1.00 0.00 O ATOM 0 H TYR A 23 2.027 -23.143 -10.470 1.00 0.00 H new ATOM 0 HA TYR A 23 2.677 -25.702 -9.129 1.00 0.00 H new ATOM 0 HB2 TYR A 23 3.582 -22.839 -8.566 1.00 0.00 H new ATOM 0 HB3 TYR A 23 4.211 -24.293 -7.817 1.00 0.00 H new ATOM 0 HD1 TYR A 23 5.602 -25.914 -9.179 1.00 0.00 H new ATOM 0 HD2 TYR A 23 4.379 -22.073 -10.707 1.00 0.00 H new ATOM 0 HE1 TYR A 23 7.312 -26.087 -10.979 1.00 0.00 H new ATOM 0 HE2 TYR A 23 6.070 -22.251 -12.518 1.00 0.00 H new ATOM 0 HH TYR A 23 7.689 -23.472 -13.431 1.00 0.00 H new ATOM 406 N THR A 24 0.374 -23.677 -8.284 1.00 0.00 N ATOM 407 CA THR A 24 -0.590 -23.111 -7.323 1.00 0.00 C ATOM 408 C THR A 24 -2.024 -23.095 -7.891 1.00 0.00 C ATOM 409 O THR A 24 -2.711 -22.076 -7.900 1.00 0.00 O ATOM 410 CB THR A 24 -0.143 -21.715 -6.824 1.00 0.00 C ATOM 411 OG1 THR A 24 -0.119 -20.777 -7.863 1.00 0.00 O ATOM 412 CG2 THR A 24 1.277 -21.658 -6.262 1.00 0.00 C ATOM 0 H THR A 24 0.139 -23.450 -9.250 1.00 0.00 H new ATOM 0 HA THR A 24 -0.606 -23.769 -6.454 1.00 0.00 H new ATOM 0 HB THR A 24 -0.876 -21.498 -6.047 1.00 0.00 H new ATOM 0 HG1 THR A 24 0.623 -20.981 -8.471 1.00 0.00 H new ATOM 0 HG21 THR A 24 1.500 -20.641 -5.938 1.00 0.00 H new ATOM 0 HG22 THR A 24 1.359 -22.336 -5.412 1.00 0.00 H new ATOM 0 HG23 THR A 24 1.986 -21.956 -7.034 1.00 0.00 H new ATOM 420 N HIS A 25 -2.505 -24.250 -8.378 1.00 0.00 N ATOM 421 CA HIS A 25 -3.879 -24.517 -8.889 1.00 0.00 C ATOM 422 C HIS A 25 -5.065 -24.107 -7.966 1.00 0.00 C ATOM 423 O HIS A 25 -6.229 -24.331 -8.306 1.00 0.00 O ATOM 424 CB HIS A 25 -3.984 -25.998 -9.312 1.00 0.00 C ATOM 425 CG HIS A 25 -3.349 -26.291 -10.652 1.00 0.00 C ATOM 426 ND1 HIS A 25 -3.993 -26.266 -11.878 1.00 0.00 N ATOM 427 CD2 HIS A 25 -2.041 -26.611 -10.882 1.00 0.00 C ATOM 428 CE1 HIS A 25 -3.088 -26.560 -12.834 1.00 0.00 C ATOM 429 NE2 HIS A 25 -1.890 -26.776 -12.250 1.00 0.00 N ATOM 0 H HIS A 25 -1.916 -25.081 -8.433 1.00 0.00 H new ATOM 0 HA HIS A 25 -3.999 -23.850 -9.743 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -3.511 -26.619 -8.551 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -5.035 -26.283 -9.347 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -1.267 -26.716 -10.136 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -3.289 -26.614 -13.894 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -1.024 -27.018 -12.732 1.00 0.00 H new ATOM 438 N ASN A 26 -4.783 -23.531 -6.798 1.00 0.00 N ATOM 439 CA ASN A 26 -5.697 -23.020 -5.774 1.00 0.00 C ATOM 440 C ASN A 26 -6.727 -21.983 -6.294 1.00 0.00 C ATOM 441 O ASN A 26 -6.433 -21.240 -7.237 1.00 0.00 O ATOM 442 CB ASN A 26 -4.807 -22.371 -4.691 1.00 0.00 C ATOM 443 CG ASN A 26 -3.794 -23.345 -4.109 1.00 0.00 C ATOM 444 OD1 ASN A 26 -2.691 -23.496 -4.613 1.00 0.00 O ATOM 445 ND2 ASN A 26 -4.148 -24.058 -3.065 1.00 0.00 N ATOM 0 H ASN A 26 -3.812 -23.397 -6.516 1.00 0.00 H new ATOM 0 HA ASN A 26 -6.298 -23.849 -5.400 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -4.281 -21.518 -5.121 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -5.438 -21.986 -3.890 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -3.501 -24.741 -2.671 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -5.070 -23.928 -2.648 1.00 0.00 H new ATOM 452 N PRO A 27 -7.882 -21.816 -5.611 1.00 0.00 N ATOM 453 CA PRO A 27 -8.855 -20.750 -5.899 1.00 0.00 C ATOM 454 C PRO A 27 -8.359 -19.342 -5.511 1.00 0.00 C ATOM 455 O PRO A 27 -8.958 -18.339 -5.895 1.00 0.00 O ATOM 456 CB PRO A 27 -10.109 -21.134 -5.104 1.00 0.00 C ATOM 457 CG PRO A 27 -9.547 -21.885 -3.900 1.00 0.00 C ATOM 458 CD PRO A 27 -8.351 -22.629 -4.491 1.00 0.00 C ATOM 0 HA PRO A 27 -9.038 -20.681 -6.971 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -10.677 -20.255 -4.800 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -10.781 -21.760 -5.691 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -9.246 -21.204 -3.104 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -10.279 -22.571 -3.474 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -7.565 -22.757 -3.747 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -8.639 -23.626 -4.826 1.00 0.00 H new ATOM 466 N VAL A 28 -7.255 -19.254 -4.762 1.00 0.00 N ATOM 467 CA VAL A 28 -6.598 -18.017 -4.323 1.00 0.00 C ATOM 468 C VAL A 28 -6.153 -17.148 -5.499 1.00 0.00 C ATOM 469 O VAL A 28 -6.485 -15.967 -5.536 1.00 0.00 O ATOM 470 CB VAL A 28 -5.454 -18.404 -3.369 1.00 0.00 C ATOM 471 CG1 VAL A 28 -4.372 -17.352 -3.194 1.00 0.00 C ATOM 472 CG2 VAL A 28 -6.017 -18.719 -1.979 1.00 0.00 C ATOM 0 H VAL A 28 -6.770 -20.087 -4.428 1.00 0.00 H new ATOM 0 HA VAL A 28 -7.304 -17.385 -3.784 1.00 0.00 H new ATOM 0 HB VAL A 28 -4.987 -19.269 -3.840 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -3.614 -17.721 -2.504 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -3.912 -17.139 -4.159 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -4.813 -16.439 -2.794 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -5.201 -18.992 -1.309 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -6.530 -17.841 -1.587 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -6.721 -19.548 -2.051 1.00 0.00 H new ATOM 482 N LEU A 29 -5.479 -17.701 -6.511 1.00 0.00 N ATOM 483 CA LEU A 29 -5.077 -16.945 -7.700 1.00 0.00 C ATOM 484 C LEU A 29 -6.283 -16.472 -8.529 1.00 0.00 C ATOM 485 O LEU A 29 -6.277 -15.348 -9.033 1.00 0.00 O ATOM 486 CB LEU A 29 -4.126 -17.803 -8.543 1.00 0.00 C ATOM 487 CG LEU A 29 -2.696 -17.865 -7.989 1.00 0.00 C ATOM 488 CD1 LEU A 29 -2.536 -18.732 -6.736 1.00 0.00 C ATOM 489 CD2 LEU A 29 -1.776 -18.403 -9.076 1.00 0.00 C ATOM 0 H LEU A 29 -5.198 -18.681 -6.529 1.00 0.00 H new ATOM 0 HA LEU A 29 -4.561 -16.042 -7.374 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -4.525 -18.815 -8.608 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -4.096 -17.406 -9.558 1.00 0.00 H new ATOM 0 HG LEU A 29 -2.438 -16.849 -7.692 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -1.495 -18.718 -6.414 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -3.167 -18.339 -5.939 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -2.832 -19.756 -6.962 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.755 -18.453 -8.697 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -2.103 -19.401 -9.369 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -1.810 -17.741 -9.942 1.00 0.00 H new ATOM 501 N ALA A 30 -7.353 -17.274 -8.570 1.00 0.00 N ATOM 502 CA ALA A 30 -8.668 -16.915 -9.118 1.00 0.00 C ATOM 503 C ALA A 30 -9.430 -15.843 -8.292 1.00 0.00 C ATOM 504 O ALA A 30 -10.574 -15.512 -8.611 1.00 0.00 O ATOM 505 CB ALA A 30 -9.484 -18.203 -9.298 1.00 0.00 C ATOM 0 H ALA A 30 -7.327 -18.228 -8.209 1.00 0.00 H new ATOM 0 HA ALA A 30 -8.512 -16.433 -10.083 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -10.465 -17.958 -9.704 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -8.963 -18.871 -9.984 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -9.604 -18.696 -8.333 1.00 0.00 H new ATOM 511 N LYS A 31 -8.786 -15.270 -7.265 1.00 0.00 N ATOM 512 CA LYS A 31 -9.198 -14.091 -6.502 1.00 0.00 C ATOM 513 C LYS A 31 -8.156 -12.977 -6.592 1.00 0.00 C ATOM 514 O LYS A 31 -8.511 -11.841 -6.888 1.00 0.00 O ATOM 515 CB LYS A 31 -9.466 -14.503 -5.036 1.00 0.00 C ATOM 516 CG LYS A 31 -10.733 -13.881 -4.435 1.00 0.00 C ATOM 517 CD LYS A 31 -12.009 -14.532 -4.991 1.00 0.00 C ATOM 518 CE LYS A 31 -13.241 -13.999 -4.249 1.00 0.00 C ATOM 519 NZ LYS A 31 -14.488 -14.661 -4.718 1.00 0.00 N ATOM 0 H LYS A 31 -7.902 -15.648 -6.925 1.00 0.00 H new ATOM 0 HA LYS A 31 -10.117 -13.692 -6.930 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -9.546 -15.589 -4.983 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -8.609 -14.217 -4.426 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -10.712 -13.991 -3.351 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -10.749 -12.812 -4.647 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -12.098 -14.322 -6.057 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -11.950 -15.615 -4.883 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -13.121 -14.163 -3.178 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -13.320 -12.922 -4.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -15.302 -14.278 -4.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -14.614 -14.483 -5.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -14.421 -15.685 -4.551 1.00 0.00 H new ATOM 533 N ILE A 32 -6.870 -13.307 -6.447 1.00 0.00 N ATOM 534 CA ILE A 32 -5.771 -12.334 -6.488 1.00 0.00 C ATOM 535 C ILE A 32 -5.662 -11.693 -7.869 1.00 0.00 C ATOM 536 O ILE A 32 -5.913 -10.498 -8.000 1.00 0.00 O ATOM 537 CB ILE A 32 -4.424 -12.938 -6.058 1.00 0.00 C ATOM 538 CG1 ILE A 32 -4.433 -13.477 -4.616 1.00 0.00 C ATOM 539 CG2 ILE A 32 -3.372 -11.824 -6.136 1.00 0.00 C ATOM 540 CD1 ILE A 32 -3.274 -14.453 -4.409 1.00 0.00 C ATOM 0 H ILE A 32 -6.558 -14.266 -6.296 1.00 0.00 H new ATOM 0 HA ILE A 32 -6.014 -11.560 -5.760 1.00 0.00 H new ATOM 0 HB ILE A 32 -4.210 -13.777 -6.720 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -4.352 -12.650 -3.911 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -5.380 -13.977 -4.413 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -2.401 -12.219 -5.837 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -3.312 -11.451 -7.158 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -3.654 -11.010 -5.468 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -3.292 -14.827 -3.385 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -3.374 -15.288 -5.102 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -2.330 -13.940 -4.592 1.00 0.00 H new ATOM 552 N LEU A 33 -5.320 -12.468 -8.905 1.00 0.00 N ATOM 553 CA LEU A 33 -5.136 -11.920 -10.251 1.00 0.00 C ATOM 554 C LEU A 33 -6.485 -11.485 -10.839 1.00 0.00 C ATOM 555 O LEU A 33 -6.530 -10.570 -11.651 1.00 0.00 O ATOM 556 CB LEU A 33 -4.328 -12.905 -11.127 1.00 0.00 C ATOM 557 CG LEU A 33 -5.156 -13.789 -12.077 1.00 0.00 C ATOM 558 CD1 LEU A 33 -5.243 -13.215 -13.493 1.00 0.00 C ATOM 559 CD2 LEU A 33 -4.638 -15.223 -12.198 1.00 0.00 C ATOM 0 H LEU A 33 -5.166 -13.474 -8.836 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.534 -11.012 -10.212 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.616 -12.333 -11.722 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.747 -13.554 -10.471 1.00 0.00 H new ATOM 0 HG LEU A 33 -6.141 -13.803 -11.611 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.838 -13.880 -14.119 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.712 -12.232 -13.459 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.240 -13.124 -13.911 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.273 -15.783 -12.884 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -3.616 -15.210 -12.578 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -4.654 -15.700 -11.218 1.00 0.00 H new ATOM 571 N GLU A 34 -7.582 -12.102 -10.382 1.00 0.00 N ATOM 572 CA GLU A 34 -8.942 -11.669 -10.695 1.00 0.00 C ATOM 573 C GLU A 34 -9.156 -10.206 -10.274 1.00 0.00 C ATOM 574 O GLU A 34 -9.723 -9.425 -11.036 1.00 0.00 O ATOM 575 CB GLU A 34 -9.941 -12.646 -10.053 1.00 0.00 C ATOM 576 CG GLU A 34 -11.395 -12.166 -9.922 1.00 0.00 C ATOM 577 CD GLU A 34 -12.053 -11.722 -11.243 1.00 0.00 C ATOM 578 OE1 GLU A 34 -11.845 -12.373 -12.295 1.00 0.00 O ATOM 579 OE2 GLU A 34 -12.825 -10.731 -11.204 1.00 0.00 O ATOM 0 H GLU A 34 -7.546 -12.924 -9.779 1.00 0.00 H new ATOM 0 HA GLU A 34 -9.111 -11.693 -11.772 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -9.939 -13.566 -10.637 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -9.576 -12.899 -9.058 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -11.990 -12.970 -9.489 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -11.425 -11.333 -9.220 1.00 0.00 H new ATOM 586 N ASP A 35 -8.637 -9.797 -9.112 1.00 0.00 N ATOM 587 CA ASP A 35 -8.590 -8.395 -8.722 1.00 0.00 C ATOM 588 C ASP A 35 -7.567 -7.563 -9.496 1.00 0.00 C ATOM 589 O ASP A 35 -7.932 -6.499 -9.998 1.00 0.00 O ATOM 590 CB ASP A 35 -8.325 -8.268 -7.223 1.00 0.00 C ATOM 591 CG ASP A 35 -9.345 -8.947 -6.297 1.00 0.00 C ATOM 592 OD1 ASP A 35 -10.544 -9.064 -6.665 1.00 0.00 O ATOM 593 OD2 ASP A 35 -8.921 -9.311 -5.172 1.00 0.00 O ATOM 0 H ASP A 35 -8.240 -10.432 -8.420 1.00 0.00 H new ATOM 0 HA ASP A 35 -9.570 -7.989 -8.973 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -7.340 -8.684 -7.012 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -8.284 -7.208 -6.970 1.00 0.00 H new ATOM 598 N GLU A 36 -6.320 -8.019 -9.670 1.00 0.00 N ATOM 599 CA GLU A 36 -5.330 -7.266 -10.447 1.00 0.00 C ATOM 600 C GLU A 36 -5.786 -6.973 -11.889 1.00 0.00 C ATOM 601 O GLU A 36 -5.380 -5.967 -12.467 1.00 0.00 O ATOM 602 CB GLU A 36 -3.977 -7.993 -10.466 1.00 0.00 C ATOM 603 CG GLU A 36 -3.408 -8.488 -9.125 1.00 0.00 C ATOM 604 CD GLU A 36 -3.209 -7.438 -8.033 1.00 0.00 C ATOM 605 OE1 GLU A 36 -3.648 -6.268 -8.149 1.00 0.00 O ATOM 606 OE2 GLU A 36 -2.605 -7.738 -6.972 1.00 0.00 O ATOM 0 H GLU A 36 -5.975 -8.899 -9.286 1.00 0.00 H new ATOM 0 HA GLU A 36 -5.221 -6.306 -9.942 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -4.069 -8.854 -11.129 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -3.243 -7.323 -10.914 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -4.073 -9.260 -8.738 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -2.447 -8.964 -9.318 1.00 0.00 H new ATOM 613 N GLU A 37 -6.681 -7.796 -12.448 1.00 0.00 N ATOM 614 CA GLU A 37 -7.215 -7.630 -13.812 1.00 0.00 C ATOM 615 C GLU A 37 -8.134 -6.400 -13.908 1.00 0.00 C ATOM 616 O GLU A 37 -8.227 -5.758 -14.957 1.00 0.00 O ATOM 617 CB GLU A 37 -7.943 -8.925 -14.225 1.00 0.00 C ATOM 618 CG GLU A 37 -8.144 -9.122 -15.737 1.00 0.00 C ATOM 619 CD GLU A 37 -9.332 -8.349 -16.352 1.00 0.00 C ATOM 620 OE1 GLU A 37 -10.435 -8.321 -15.754 1.00 0.00 O ATOM 621 OE2 GLU A 37 -9.190 -7.832 -17.487 1.00 0.00 O ATOM 0 H GLU A 37 -7.062 -8.608 -11.962 1.00 0.00 H new ATOM 0 HA GLU A 37 -6.392 -7.452 -14.504 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -7.382 -9.775 -13.838 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -8.920 -8.941 -13.742 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -7.231 -8.820 -16.250 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -8.283 -10.185 -15.933 1.00 0.00 H new ATOM 628 N LYS A 38 -8.758 -6.035 -12.781 1.00 0.00 N ATOM 629 CA LYS A 38 -9.613 -4.855 -12.600 1.00 0.00 C ATOM 630 C LYS A 38 -8.819 -3.652 -12.130 1.00 0.00 C ATOM 631 O LYS A 38 -9.038 -2.564 -12.644 1.00 0.00 O ATOM 632 CB LYS A 38 -10.717 -5.173 -11.576 1.00 0.00 C ATOM 633 CG LYS A 38 -11.588 -6.340 -12.051 1.00 0.00 C ATOM 634 CD LYS A 38 -12.675 -6.765 -11.058 1.00 0.00 C ATOM 635 CE LYS A 38 -12.049 -7.443 -9.834 1.00 0.00 C ATOM 636 NZ LYS A 38 -12.842 -8.607 -9.368 1.00 0.00 N ATOM 0 H LYS A 38 -8.676 -6.584 -11.925 1.00 0.00 H new ATOM 0 HA LYS A 38 -10.054 -4.609 -13.566 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.266 -5.419 -10.615 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -11.338 -4.291 -11.420 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -12.062 -6.064 -12.993 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -10.946 -7.196 -12.256 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -13.250 -5.894 -10.744 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -13.372 -7.449 -11.543 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -11.038 -7.770 -10.079 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -11.962 -6.718 -9.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -12.469 -8.939 -8.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -13.837 -8.326 -9.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -12.777 -9.374 -10.068 1.00 0.00 H new ATOM 650 N HIS A 39 -7.881 -3.835 -11.200 1.00 0.00 N ATOM 651 CA HIS A 39 -7.143 -2.792 -10.503 1.00 0.00 C ATOM 652 C HIS A 39 -6.520 -1.722 -11.402 1.00 0.00 C ATOM 653 O HIS A 39 -6.708 -0.535 -11.147 1.00 0.00 O ATOM 654 CB HIS A 39 -6.060 -3.507 -9.711 1.00 0.00 C ATOM 655 CG HIS A 39 -6.464 -4.079 -8.388 1.00 0.00 C ATOM 656 ND1 HIS A 39 -5.530 -4.377 -7.394 1.00 0.00 N ATOM 657 CD2 HIS A 39 -7.726 -4.352 -7.939 1.00 0.00 C ATOM 658 CE1 HIS A 39 -6.265 -4.813 -6.352 1.00 0.00 C ATOM 659 NE2 HIS A 39 -7.575 -4.806 -6.652 1.00 0.00 N ATOM 0 H HIS A 39 -7.604 -4.769 -10.899 1.00 0.00 H new ATOM 0 HA HIS A 39 -7.843 -2.235 -9.880 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -5.666 -4.316 -10.326 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -5.242 -2.807 -9.544 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -8.651 -4.235 -8.484 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -5.856 -5.126 -5.403 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -8.330 -5.090 -6.028 1.00 0.00 H new ATOM 667 N ILE A 40 -5.805 -2.121 -12.459 1.00 0.00 N ATOM 668 CA ILE A 40 -5.162 -1.167 -13.382 1.00 0.00 C ATOM 669 C ILE A 40 -6.202 -0.304 -14.102 1.00 0.00 C ATOM 670 O ILE A 40 -6.009 0.901 -14.256 1.00 0.00 O ATOM 671 CB ILE A 40 -4.253 -1.895 -14.394 1.00 0.00 C ATOM 672 CG1 ILE A 40 -3.167 -2.670 -13.627 1.00 0.00 C ATOM 673 CG2 ILE A 40 -3.592 -0.900 -15.366 1.00 0.00 C ATOM 674 CD1 ILE A 40 -2.192 -3.408 -14.542 1.00 0.00 C ATOM 0 H ILE A 40 -5.654 -3.100 -12.701 1.00 0.00 H new ATOM 0 HA ILE A 40 -4.535 -0.505 -12.785 1.00 0.00 H new ATOM 0 HB ILE A 40 -4.864 -2.582 -14.979 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -2.610 -1.975 -12.999 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -3.645 -3.389 -12.961 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -2.958 -1.443 -16.067 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -4.364 -0.362 -15.917 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -2.986 -0.190 -14.803 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -1.453 -3.933 -13.938 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -2.739 -4.127 -15.152 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.688 -2.691 -15.190 1.00 0.00 H new ATOM 686 N GLU A 41 -7.326 -0.900 -14.506 1.00 0.00 N ATOM 687 CA GLU A 41 -8.430 -0.158 -15.113 1.00 0.00 C ATOM 688 C GLU A 41 -9.189 0.685 -14.075 1.00 0.00 C ATOM 689 O GLU A 41 -9.532 1.828 -14.351 1.00 0.00 O ATOM 690 CB GLU A 41 -9.350 -1.109 -15.898 1.00 0.00 C ATOM 691 CG GLU A 41 -9.721 -0.494 -17.255 1.00 0.00 C ATOM 692 CD GLU A 41 -10.536 -1.476 -18.117 1.00 0.00 C ATOM 693 OE1 GLU A 41 -11.786 -1.496 -18.009 1.00 0.00 O ATOM 694 OE2 GLU A 41 -9.933 -2.226 -18.926 1.00 0.00 O ATOM 0 H GLU A 41 -7.495 -1.902 -14.422 1.00 0.00 H new ATOM 0 HA GLU A 41 -8.015 0.553 -15.827 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -8.851 -2.066 -16.049 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -10.254 -1.309 -15.322 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -10.297 0.418 -17.097 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -8.813 -0.209 -17.787 1.00 0.00 H new ATOM 701 N TRP A 42 -9.362 0.181 -12.851 1.00 0.00 N ATOM 702 CA TRP A 42 -9.914 0.891 -11.687 1.00 0.00 C ATOM 703 C TRP A 42 -9.189 2.231 -11.385 1.00 0.00 C ATOM 704 O TRP A 42 -9.851 3.265 -11.291 1.00 0.00 O ATOM 705 CB TRP A 42 -9.958 -0.126 -10.519 1.00 0.00 C ATOM 706 CG TRP A 42 -11.150 -1.038 -10.455 1.00 0.00 C ATOM 707 CD1 TRP A 42 -12.170 -1.105 -11.344 1.00 0.00 C ATOM 708 CD2 TRP A 42 -11.453 -2.048 -9.439 1.00 0.00 C ATOM 709 NE1 TRP A 42 -13.094 -2.041 -10.928 1.00 0.00 N ATOM 710 CE2 TRP A 42 -12.702 -2.659 -9.760 1.00 0.00 C ATOM 711 CE3 TRP A 42 -10.791 -2.519 -8.285 1.00 0.00 C ATOM 712 CZ2 TRP A 42 -13.269 -3.673 -8.975 1.00 0.00 C ATOM 713 CZ3 TRP A 42 -11.340 -3.553 -7.501 1.00 0.00 C ATOM 714 CH2 TRP A 42 -12.577 -4.126 -7.840 1.00 0.00 C ATOM 0 H TRP A 42 -9.109 -0.782 -12.630 1.00 0.00 H new ATOM 0 HA TRP A 42 -10.929 1.236 -11.883 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -9.061 -0.743 -10.573 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -9.906 0.430 -9.583 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -12.248 -0.514 -12.244 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -13.961 -2.250 -11.424 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -9.847 -2.079 -7.998 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -14.225 -4.100 -9.240 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -10.805 -3.908 -6.632 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -12.995 -4.913 -7.229 1.00 0.00 H new ATOM 725 N LEU A 43 -7.850 2.271 -11.346 1.00 0.00 N ATOM 726 CA LEU A 43 -7.029 3.506 -11.256 1.00 0.00 C ATOM 727 C LEU A 43 -6.853 4.283 -12.579 1.00 0.00 C ATOM 728 O LEU A 43 -6.236 5.348 -12.572 1.00 0.00 O ATOM 729 CB LEU A 43 -5.716 3.216 -10.503 1.00 0.00 C ATOM 730 CG LEU A 43 -4.834 2.133 -11.143 1.00 0.00 C ATOM 731 CD1 LEU A 43 -3.621 2.714 -11.854 1.00 0.00 C ATOM 732 CD2 LEU A 43 -4.296 1.157 -10.100 1.00 0.00 C ATOM 0 H LEU A 43 -7.283 1.424 -11.377 1.00 0.00 H new ATOM 0 HA LEU A 43 -7.601 4.220 -10.663 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -5.141 4.140 -10.434 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -5.957 2.914 -9.484 1.00 0.00 H new ATOM 0 HG LEU A 43 -5.484 1.628 -11.857 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -3.032 1.906 -12.288 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.951 3.388 -12.645 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -3.010 3.265 -11.139 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -3.677 0.406 -10.590 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -3.697 1.700 -9.368 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -5.129 0.668 -9.596 1.00 0.00 H new ATOM 744 N GLU A 44 -7.455 3.843 -13.689 1.00 0.00 N ATOM 745 CA GLU A 44 -7.597 4.614 -14.926 1.00 0.00 C ATOM 746 C GLU A 44 -8.996 5.239 -15.067 1.00 0.00 C ATOM 747 O GLU A 44 -9.129 6.361 -15.551 1.00 0.00 O ATOM 748 CB GLU A 44 -7.323 3.678 -16.111 1.00 0.00 C ATOM 749 CG GLU A 44 -6.013 4.030 -16.826 1.00 0.00 C ATOM 750 CD GLU A 44 -5.825 3.232 -18.135 1.00 0.00 C ATOM 751 OE1 GLU A 44 -5.989 1.990 -18.138 1.00 0.00 O ATOM 752 OE2 GLU A 44 -5.503 3.852 -19.178 1.00 0.00 O ATOM 0 H GLU A 44 -7.869 2.913 -13.752 1.00 0.00 H new ATOM 0 HA GLU A 44 -6.883 5.437 -14.904 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -7.278 2.648 -15.757 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -8.150 3.736 -16.819 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -5.999 5.097 -17.049 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -5.174 3.832 -16.159 1.00 0.00 H new ATOM 759 N THR A 45 -10.045 4.558 -14.601 1.00 0.00 N ATOM 760 CA THR A 45 -11.429 5.042 -14.555 1.00 0.00 C ATOM 761 C THR A 45 -11.550 6.399 -13.853 1.00 0.00 C ATOM 762 O THR A 45 -12.317 7.257 -14.292 1.00 0.00 O ATOM 763 CB THR A 45 -12.337 3.987 -13.907 1.00 0.00 C ATOM 764 OG1 THR A 45 -12.457 2.882 -14.781 1.00 0.00 O ATOM 765 CG2 THR A 45 -13.760 4.463 -13.612 1.00 0.00 C ATOM 0 H THR A 45 -9.950 3.613 -14.229 1.00 0.00 H new ATOM 0 HA THR A 45 -11.759 5.201 -15.581 1.00 0.00 H new ATOM 0 HB THR A 45 -11.861 3.744 -12.957 1.00 0.00 H new ATOM 0 HG1 THR A 45 -11.611 2.387 -14.801 1.00 0.00 H new ATOM 0 HG21 THR A 45 -14.328 3.652 -13.156 1.00 0.00 H new ATOM 0 HG22 THR A 45 -13.726 5.311 -12.928 1.00 0.00 H new ATOM 0 HG23 THR A 45 -14.243 4.765 -14.541 1.00 0.00 H new ATOM 773 N ILE A 46 -10.745 6.626 -12.807 1.00 0.00 N ATOM 774 CA ILE A 46 -10.657 7.919 -12.102 1.00 0.00 C ATOM 775 C ILE A 46 -10.206 9.069 -13.018 1.00 0.00 C ATOM 776 O ILE A 46 -10.767 10.166 -12.960 1.00 0.00 O ATOM 777 CB ILE A 46 -9.730 7.811 -10.866 1.00 0.00 C ATOM 778 CG1 ILE A 46 -10.150 6.697 -9.879 1.00 0.00 C ATOM 779 CG2 ILE A 46 -9.645 9.154 -10.111 1.00 0.00 C ATOM 780 CD1 ILE A 46 -11.623 6.726 -9.453 1.00 0.00 C ATOM 0 H ILE A 46 -10.128 5.912 -12.419 1.00 0.00 H new ATOM 0 HA ILE A 46 -11.666 8.160 -11.768 1.00 0.00 H new ATOM 0 HB ILE A 46 -8.750 7.547 -11.262 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -9.939 5.730 -10.336 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -9.528 6.770 -8.987 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -8.987 9.046 -9.249 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -9.248 9.921 -10.776 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -10.640 9.446 -9.774 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -11.818 5.906 -8.762 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -11.841 7.674 -8.962 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -12.258 6.618 -10.332 1.00 0.00 H new ATOM 792 N LEU A 47 -9.206 8.817 -13.869 1.00 0.00 N ATOM 793 CA LEU A 47 -8.532 9.837 -14.677 1.00 0.00 C ATOM 794 C LEU A 47 -9.104 10.016 -16.098 1.00 0.00 C ATOM 795 O LEU A 47 -8.874 11.058 -16.717 1.00 0.00 O ATOM 796 CB LEU A 47 -7.000 9.645 -14.623 1.00 0.00 C ATOM 797 CG LEU A 47 -6.420 8.392 -15.311 1.00 0.00 C ATOM 798 CD1 LEU A 47 -6.270 8.523 -16.829 1.00 0.00 C ATOM 799 CD2 LEU A 47 -5.041 8.069 -14.741 1.00 0.00 C ATOM 0 H LEU A 47 -8.835 7.878 -14.018 1.00 0.00 H new ATOM 0 HA LEU A 47 -8.752 10.801 -14.218 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -6.534 10.522 -15.071 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -6.699 9.625 -13.576 1.00 0.00 H new ATOM 0 HG LEU A 47 -7.142 7.600 -15.112 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -5.856 7.600 -17.235 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -7.246 8.710 -17.276 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -5.601 9.352 -17.058 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -4.642 7.183 -15.234 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -4.371 8.912 -14.911 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -5.125 7.882 -13.670 1.00 0.00 H new ATOM 811 N GLY A 48 -9.865 9.040 -16.608 1.00 0.00 N ATOM 812 CA GLY A 48 -10.571 9.139 -17.896 1.00 0.00 C ATOM 813 C GLY A 48 -10.986 7.808 -18.549 1.00 0.00 C ATOM 814 O GLY A 48 -11.756 7.803 -19.507 1.00 0.00 O ATOM 0 H GLY A 48 -10.011 8.148 -16.134 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -11.467 9.743 -17.750 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -9.933 9.679 -18.595 1.00 0.00 H new HETATM 818 N NH2 A 49 -10.509 6.667 -18.066 1.00 0.00 N TER 821 NH2 A 49 HETATM 822 C ACE B 0 9.869 -20.001 -5.161 1.00 0.00 C HETATM 823 O ACE B 0 9.113 -19.258 -4.543 1.00 0.00 O HETATM 824 CH3 ACE B 0 9.588 -21.481 -5.245 1.00 0.00 C HETATM 0 H1 ACE B 0 9.469 -21.770 -6.289 1.00 0.00 H new HETATM 0 H2 ACE B 0 10.419 -22.035 -4.808 1.00 0.00 H new HETATM 0 H3 ACE B 0 8.673 -21.709 -4.698 1.00 0.00 H new ATOM 828 N ASP B 1 10.958 -19.572 -5.797 1.00 0.00 N ATOM 829 CA ASP B 1 11.464 -18.186 -5.765 1.00 0.00 C ATOM 830 C ASP B 1 10.442 -17.133 -6.231 1.00 0.00 C ATOM 831 O ASP B 1 10.430 -16.000 -5.745 1.00 0.00 O ATOM 832 CB ASP B 1 12.725 -18.118 -6.636 1.00 0.00 C ATOM 833 CG ASP B 1 13.471 -16.781 -6.486 1.00 0.00 C ATOM 834 OD1 ASP B 1 14.023 -16.519 -5.390 1.00 0.00 O ATOM 835 OD2 ASP B 1 13.539 -16.010 -7.472 1.00 0.00 O ATOM 0 H ASP B 1 11.534 -20.191 -6.367 1.00 0.00 H new ATOM 0 HA ASP B 1 11.679 -17.940 -4.725 1.00 0.00 H new ATOM 0 HB2 ASP B 1 13.393 -18.936 -6.367 1.00 0.00 H new ATOM 0 HB3 ASP B 1 12.450 -18.262 -7.681 1.00 0.00 H new ATOM 840 N TYR B 2 9.552 -17.531 -7.142 1.00 0.00 N ATOM 841 CA TYR B 2 8.456 -16.710 -7.671 1.00 0.00 C ATOM 842 C TYR B 2 7.547 -16.119 -6.585 1.00 0.00 C ATOM 843 O TYR B 2 7.104 -14.982 -6.721 1.00 0.00 O ATOM 844 CB TYR B 2 7.633 -17.526 -8.679 1.00 0.00 C ATOM 845 CG TYR B 2 6.790 -18.652 -8.100 1.00 0.00 C ATOM 846 CD1 TYR B 2 7.374 -19.910 -7.850 1.00 0.00 C ATOM 847 CD2 TYR B 2 5.427 -18.440 -7.808 1.00 0.00 C ATOM 848 CE1 TYR B 2 6.616 -20.936 -7.254 1.00 0.00 C ATOM 849 CE2 TYR B 2 4.660 -19.470 -7.228 1.00 0.00 C ATOM 850 CZ TYR B 2 5.263 -20.711 -6.922 1.00 0.00 C ATOM 851 OH TYR B 2 4.552 -21.675 -6.279 1.00 0.00 O ATOM 0 H TYR B 2 9.573 -18.467 -7.547 1.00 0.00 H new ATOM 0 HA TYR B 2 8.917 -15.857 -8.169 1.00 0.00 H new ATOM 0 HB2 TYR B 2 6.973 -16.844 -9.215 1.00 0.00 H new ATOM 0 HB3 TYR B 2 8.316 -17.952 -9.414 1.00 0.00 H new ATOM 0 HD1 TYR B 2 8.406 -20.088 -8.116 1.00 0.00 H new ATOM 0 HD2 TYR B 2 4.970 -17.487 -8.029 1.00 0.00 H new ATOM 0 HE1 TYR B 2 7.070 -21.895 -7.051 1.00 0.00 H new ATOM 0 HE2 TYR B 2 3.613 -19.311 -7.018 1.00 0.00 H new ATOM 0 HH TYR B 2 4.102 -21.285 -5.501 1.00 0.00 H new ATOM 861 N LEU B 3 7.308 -16.856 -5.495 1.00 0.00 N ATOM 862 CA LEU B 3 6.528 -16.393 -4.335 1.00 0.00 C ATOM 863 C LEU B 3 7.211 -15.201 -3.650 1.00 0.00 C ATOM 864 O LEU B 3 6.604 -14.143 -3.494 1.00 0.00 O ATOM 865 CB LEU B 3 6.325 -17.542 -3.326 1.00 0.00 C ATOM 866 CG LEU B 3 5.406 -18.662 -3.843 1.00 0.00 C ATOM 867 CD1 LEU B 3 5.527 -19.906 -2.967 1.00 0.00 C ATOM 868 CD2 LEU B 3 3.931 -18.242 -3.868 1.00 0.00 C ATOM 0 H LEU B 3 7.656 -17.809 -5.389 1.00 0.00 H new ATOM 0 HA LEU B 3 5.553 -16.066 -4.696 1.00 0.00 H new ATOM 0 HB2 LEU B 3 7.296 -17.968 -3.073 1.00 0.00 H new ATOM 0 HB3 LEU B 3 5.906 -17.136 -2.405 1.00 0.00 H new ATOM 0 HG LEU B 3 5.731 -18.875 -4.861 1.00 0.00 H new ATOM 0 HD11 LEU B 3 4.869 -20.686 -3.350 1.00 0.00 H new ATOM 0 HD12 LEU B 3 6.557 -20.262 -2.980 1.00 0.00 H new ATOM 0 HD13 LEU B 3 5.241 -19.660 -1.944 1.00 0.00 H new ATOM 0 HD21 LEU B 3 3.324 -19.067 -4.241 1.00 0.00 H new ATOM 0 HD22 LEU B 3 3.610 -17.982 -2.860 1.00 0.00 H new ATOM 0 HD23 LEU B 3 3.810 -17.378 -4.522 1.00 0.00 H new ATOM 880 N ARG B 4 8.495 -15.343 -3.294 1.00 0.00 N ATOM 881 CA ARG B 4 9.309 -14.268 -2.690 1.00 0.00 C ATOM 882 C ARG B 4 9.403 -13.046 -3.604 1.00 0.00 C ATOM 883 O ARG B 4 9.283 -11.915 -3.134 1.00 0.00 O ATOM 884 CB ARG B 4 10.692 -14.837 -2.312 1.00 0.00 C ATOM 885 CG ARG B 4 11.616 -13.864 -1.555 1.00 0.00 C ATOM 886 CD ARG B 4 12.470 -12.973 -2.471 1.00 0.00 C ATOM 887 NE ARG B 4 13.469 -12.209 -1.695 1.00 0.00 N ATOM 888 CZ ARG B 4 14.512 -11.557 -2.178 1.00 0.00 C ATOM 889 NH1 ARG B 4 14.738 -11.455 -3.457 1.00 0.00 N ATOM 890 NH2 ARG B 4 15.361 -10.985 -1.371 1.00 0.00 N ATOM 0 H ARG B 4 9.008 -16.216 -3.417 1.00 0.00 H new ATOM 0 HA ARG B 4 8.823 -13.913 -1.781 1.00 0.00 H new ATOM 0 HB2 ARG B 4 10.546 -15.726 -1.699 1.00 0.00 H new ATOM 0 HB3 ARG B 4 11.197 -15.158 -3.223 1.00 0.00 H new ATOM 0 HG2 ARG B 4 11.008 -13.228 -0.911 1.00 0.00 H new ATOM 0 HG3 ARG B 4 12.276 -14.438 -0.905 1.00 0.00 H new ATOM 0 HD2 ARG B 4 12.977 -13.590 -3.213 1.00 0.00 H new ATOM 0 HD3 ARG B 4 11.825 -12.284 -3.016 1.00 0.00 H new ATOM 0 HE ARG B 4 13.340 -12.182 -0.684 1.00 0.00 H new ATOM 0 HH11 ARG B 4 14.098 -11.887 -4.124 1.00 0.00 H new ATOM 0 HH12 ARG B 4 15.554 -10.943 -3.791 1.00 0.00 H new ATOM 0 HH21 ARG B 4 15.222 -11.040 -0.362 1.00 0.00 H new ATOM 0 HH22 ARG B 4 16.165 -10.483 -1.749 1.00 0.00 H new ATOM 904 N GLU B 5 9.567 -13.271 -4.906 1.00 0.00 N ATOM 905 CA GLU B 5 9.563 -12.215 -5.926 1.00 0.00 C ATOM 906 C GLU B 5 8.224 -11.443 -5.962 1.00 0.00 C ATOM 907 O GLU B 5 8.207 -10.221 -6.125 1.00 0.00 O ATOM 908 CB GLU B 5 9.888 -12.862 -7.283 1.00 0.00 C ATOM 909 CG GLU B 5 10.137 -11.885 -8.436 1.00 0.00 C ATOM 910 CD GLU B 5 11.528 -11.221 -8.362 1.00 0.00 C ATOM 911 OE1 GLU B 5 11.738 -10.322 -7.513 1.00 0.00 O ATOM 912 OE2 GLU B 5 12.422 -11.584 -9.167 1.00 0.00 O ATOM 0 H GLU B 5 9.709 -14.205 -5.292 1.00 0.00 H new ATOM 0 HA GLU B 5 10.321 -11.471 -5.681 1.00 0.00 H new ATOM 0 HB2 GLU B 5 10.771 -13.490 -7.164 1.00 0.00 H new ATOM 0 HB3 GLU B 5 9.064 -13.520 -7.559 1.00 0.00 H new ATOM 0 HG2 GLU B 5 10.042 -12.415 -9.384 1.00 0.00 H new ATOM 0 HG3 GLU B 5 9.369 -11.112 -8.425 1.00 0.00 H new ATOM 919 N LEU B 6 7.104 -12.142 -5.750 1.00 0.00 N ATOM 920 CA LEU B 6 5.743 -11.596 -5.741 1.00 0.00 C ATOM 921 C LEU B 6 5.479 -10.607 -4.592 1.00 0.00 C ATOM 922 O LEU B 6 4.886 -9.549 -4.813 1.00 0.00 O ATOM 923 CB LEU B 6 4.754 -12.774 -5.636 1.00 0.00 C ATOM 924 CG LEU B 6 3.549 -12.663 -6.573 1.00 0.00 C ATOM 925 CD1 LEU B 6 3.924 -12.943 -8.030 1.00 0.00 C ATOM 926 CD2 LEU B 6 2.542 -13.721 -6.148 1.00 0.00 C ATOM 0 H LEU B 6 7.122 -13.146 -5.572 1.00 0.00 H new ATOM 0 HA LEU B 6 5.612 -11.032 -6.665 1.00 0.00 H new ATOM 0 HB2 LEU B 6 5.285 -13.701 -5.853 1.00 0.00 H new ATOM 0 HB3 LEU B 6 4.397 -12.844 -4.609 1.00 0.00 H new ATOM 0 HG LEU B 6 3.154 -11.649 -6.509 1.00 0.00 H new ATOM 0 HD11 LEU B 6 3.037 -12.853 -8.658 1.00 0.00 H new ATOM 0 HD12 LEU B 6 4.675 -12.224 -8.357 1.00 0.00 H new ATOM 0 HD13 LEU B 6 4.327 -13.952 -8.114 1.00 0.00 H new ATOM 0 HD21 LEU B 6 1.667 -13.671 -6.796 1.00 0.00 H new ATOM 0 HD22 LEU B 6 2.997 -14.709 -6.227 1.00 0.00 H new ATOM 0 HD23 LEU B 6 2.240 -13.542 -5.116 1.00 0.00 H new ATOM 938 N LEU B 7 5.904 -10.950 -3.367 1.00 0.00 N ATOM 939 CA LEU B 7 5.663 -10.145 -2.160 1.00 0.00 C ATOM 940 C LEU B 7 6.274 -8.732 -2.246 1.00 0.00 C ATOM 941 O LEU B 7 5.693 -7.764 -1.749 1.00 0.00 O ATOM 942 CB LEU B 7 6.214 -10.858 -0.902 1.00 0.00 C ATOM 943 CG LEU B 7 5.251 -11.853 -0.225 1.00 0.00 C ATOM 944 CD1 LEU B 7 5.164 -13.193 -0.944 1.00 0.00 C ATOM 945 CD2 LEU B 7 5.695 -12.134 1.211 1.00 0.00 C ATOM 0 H LEU B 7 6.431 -11.804 -3.184 1.00 0.00 H new ATOM 0 HA LEU B 7 4.581 -10.037 -2.085 1.00 0.00 H new ATOM 0 HB2 LEU B 7 7.124 -11.391 -1.178 1.00 0.00 H new ATOM 0 HB3 LEU B 7 6.497 -10.100 -0.172 1.00 0.00 H new ATOM 0 HG LEU B 7 4.271 -11.376 -0.257 1.00 0.00 H new ATOM 0 HD11 LEU B 7 4.469 -13.845 -0.415 1.00 0.00 H new ATOM 0 HD12 LEU B 7 4.810 -13.037 -1.963 1.00 0.00 H new ATOM 0 HD13 LEU B 7 6.150 -13.657 -0.969 1.00 0.00 H new ATOM 0 HD21 LEU B 7 5.004 -12.838 1.674 1.00 0.00 H new ATOM 0 HD22 LEU B 7 6.698 -12.560 1.205 1.00 0.00 H new ATOM 0 HD23 LEU B 7 5.700 -11.204 1.779 1.00 0.00 H new ATOM 957 N LYS B 8 7.454 -8.614 -2.862 1.00 0.00 N ATOM 958 CA LYS B 8 8.351 -7.456 -2.799 1.00 0.00 C ATOM 959 C LYS B 8 7.992 -6.391 -3.843 1.00 0.00 C ATOM 960 O LYS B 8 8.752 -6.108 -4.771 1.00 0.00 O ATOM 961 CB LYS B 8 9.777 -8.015 -2.895 1.00 0.00 C ATOM 962 CG LYS B 8 10.854 -6.992 -2.517 1.00 0.00 C ATOM 963 CD LYS B 8 12.131 -7.694 -2.037 1.00 0.00 C ATOM 964 CE LYS B 8 13.148 -6.619 -1.652 1.00 0.00 C ATOM 965 NZ LYS B 8 14.320 -7.191 -0.937 1.00 0.00 N ATOM 0 H LYS B 8 7.828 -9.361 -3.447 1.00 0.00 H new ATOM 0 HA LYS B 8 8.252 -6.908 -1.862 1.00 0.00 H new ATOM 0 HB2 LYS B 8 9.865 -8.883 -2.242 1.00 0.00 H new ATOM 0 HB3 LYS B 8 9.956 -8.362 -3.912 1.00 0.00 H new ATOM 0 HG2 LYS B 8 11.082 -6.363 -3.377 1.00 0.00 H new ATOM 0 HG3 LYS B 8 10.478 -6.335 -1.732 1.00 0.00 H new ATOM 0 HD2 LYS B 8 11.914 -8.336 -1.183 1.00 0.00 H new ATOM 0 HD3 LYS B 8 12.532 -8.333 -2.823 1.00 0.00 H new ATOM 0 HE2 LYS B 8 13.488 -6.103 -2.550 1.00 0.00 H new ATOM 0 HE3 LYS B 8 12.666 -5.874 -1.019 1.00 0.00 H new ATOM 0 HZ1 LYS B 8 14.985 -6.429 -0.694 1.00 0.00 H new ATOM 0 HZ2 LYS B 8 14.000 -7.661 -0.066 1.00 0.00 H new ATOM 0 HZ3 LYS B 8 14.796 -7.884 -1.550 1.00 0.00 H new ATOM 979 N GLY B 9 6.785 -5.841 -3.708 1.00 0.00 N ATOM 980 CA GLY B 9 6.230 -4.858 -4.628 1.00 0.00 C ATOM 981 C GLY B 9 4.747 -4.543 -4.499 1.00 0.00 C ATOM 982 O GLY B 9 4.346 -3.402 -4.711 1.00 0.00 O ATOM 0 H GLY B 9 6.156 -6.074 -2.939 1.00 0.00 H new ATOM 0 HA2 GLY B 9 6.785 -3.928 -4.503 1.00 0.00 H new ATOM 0 HA3 GLY B 9 6.414 -5.205 -5.645 1.00 0.00 H new ATOM 986 N GLU B 10 3.935 -5.507 -4.073 1.00 0.00 N ATOM 987 CA GLU B 10 2.521 -5.257 -3.739 1.00 0.00 C ATOM 988 C GLU B 10 2.399 -4.167 -2.661 1.00 0.00 C ATOM 989 O GLU B 10 1.545 -3.293 -2.765 1.00 0.00 O ATOM 990 CB GLU B 10 1.844 -6.561 -3.272 1.00 0.00 C ATOM 991 CG GLU B 10 1.658 -7.638 -4.362 1.00 0.00 C ATOM 992 CD GLU B 10 0.213 -7.704 -4.865 1.00 0.00 C ATOM 993 OE1 GLU B 10 -0.741 -8.323 -4.350 1.00 0.00 O ATOM 994 OE2 GLU B 10 -0.263 -7.054 -5.809 1.00 0.00 O ATOM 0 H GLU B 10 4.227 -6.476 -3.948 1.00 0.00 H new ATOM 0 HA GLU B 10 2.013 -4.903 -4.636 1.00 0.00 H new ATOM 0 HB2 GLU B 10 2.435 -6.987 -2.461 1.00 0.00 H new ATOM 0 HB3 GLU B 10 0.866 -6.315 -2.858 1.00 0.00 H new ATOM 0 HG2 GLU B 10 2.323 -7.425 -5.199 1.00 0.00 H new ATOM 0 HG3 GLU B 10 1.948 -8.610 -3.964 1.00 0.00 H new ATOM 1001 N LEU B 11 3.312 -4.133 -1.683 1.00 0.00 N ATOM 1002 CA LEU B 11 3.354 -3.174 -0.592 1.00 0.00 C ATOM 1003 C LEU B 11 4.030 -1.852 -0.931 1.00 0.00 C ATOM 1004 O LEU B 11 3.690 -0.832 -0.337 1.00 0.00 O ATOM 1005 CB LEU B 11 3.923 -3.935 0.609 1.00 0.00 C ATOM 1006 CG LEU B 11 5.457 -3.981 0.621 1.00 0.00 C ATOM 1007 CD1 LEU B 11 6.021 -2.866 1.504 1.00 0.00 C ATOM 1008 CD2 LEU B 11 5.952 -5.334 1.123 1.00 0.00 C ATOM 0 H LEU B 11 4.074 -4.809 -1.636 1.00 0.00 H new ATOM 0 HA LEU B 11 2.356 -2.807 -0.352 1.00 0.00 H new ATOM 0 HB2 LEU B 11 3.572 -3.466 1.528 1.00 0.00 H new ATOM 0 HB3 LEU B 11 3.535 -4.954 0.603 1.00 0.00 H new ATOM 0 HG LEU B 11 5.806 -3.835 -0.401 1.00 0.00 H new ATOM 0 HD11 LEU B 11 7.110 -2.915 1.500 1.00 0.00 H new ATOM 0 HD12 LEU B 11 5.700 -1.899 1.118 1.00 0.00 H new ATOM 0 HD13 LEU B 11 5.656 -2.989 2.524 1.00 0.00 H new ATOM 0 HD21 LEU B 11 7.042 -5.345 1.124 1.00 0.00 H new ATOM 0 HD22 LEU B 11 5.587 -5.502 2.136 1.00 0.00 H new ATOM 0 HD23 LEU B 11 5.581 -6.123 0.468 1.00 0.00 H new ATOM 1020 N GLN B 12 4.861 -1.847 -1.972 1.00 0.00 N ATOM 1021 CA GLN B 12 5.253 -0.645 -2.688 1.00 0.00 C ATOM 1022 C GLN B 12 4.040 0.007 -3.390 1.00 0.00 C ATOM 1023 O GLN B 12 4.078 1.199 -3.690 1.00 0.00 O ATOM 1024 CB GLN B 12 6.408 -1.004 -3.638 1.00 0.00 C ATOM 1025 CG GLN B 12 7.280 0.198 -4.021 1.00 0.00 C ATOM 1026 CD GLN B 12 8.557 -0.252 -4.730 1.00 0.00 C ATOM 1027 OE1 GLN B 12 9.645 -0.261 -4.167 1.00 0.00 O ATOM 1028 NE2 GLN B 12 8.482 -0.672 -5.976 1.00 0.00 N ATOM 0 H GLN B 12 5.286 -2.696 -2.344 1.00 0.00 H new ATOM 0 HA GLN B 12 5.615 0.117 -1.998 1.00 0.00 H new ATOM 0 HB2 GLN B 12 7.034 -1.762 -3.166 1.00 0.00 H new ATOM 0 HB3 GLN B 12 5.998 -1.449 -4.545 1.00 0.00 H new ATOM 0 HG2 GLN B 12 6.716 0.868 -4.671 1.00 0.00 H new ATOM 0 HG3 GLN B 12 7.538 0.764 -3.126 1.00 0.00 H new ATOM 0 HE21 GLN B 12 7.585 -0.672 -6.461 1.00 0.00 H new ATOM 0 HE22 GLN B 12 9.321 -0.997 -6.456 1.00 0.00 H new ATOM 1037 N GLY B 13 2.934 -0.736 -3.573 1.00 0.00 N ATOM 1038 CA GLY B 13 1.626 -0.224 -3.989 1.00 0.00 C ATOM 1039 C GLY B 13 0.709 0.109 -2.805 1.00 0.00 C ATOM 1040 O GLY B 13 0.163 1.209 -2.773 1.00 0.00 O ATOM 0 H GLY B 13 2.932 -1.746 -3.429 1.00 0.00 H new ATOM 0 HA2 GLY B 13 1.768 0.671 -4.594 1.00 0.00 H new ATOM 0 HA3 GLY B 13 1.137 -0.964 -4.623 1.00 0.00 H new ATOM 1044 N ILE B 14 0.583 -0.770 -1.795 1.00 0.00 N ATOM 1045 CA ILE B 14 -0.285 -0.565 -0.604 1.00 0.00 C ATOM 1046 C ILE B 14 -0.054 0.820 0.028 1.00 0.00 C ATOM 1047 O ILE B 14 -1.015 1.557 0.271 1.00 0.00 O ATOM 1048 CB ILE B 14 -0.111 -1.695 0.448 1.00 0.00 C ATOM 1049 CG1 ILE B 14 -0.603 -3.051 -0.107 1.00 0.00 C ATOM 1050 CG2 ILE B 14 -0.878 -1.401 1.752 1.00 0.00 C ATOM 1051 CD1 ILE B 14 -0.145 -4.283 0.686 1.00 0.00 C ATOM 0 H ILE B 14 1.085 -1.658 -1.775 1.00 0.00 H new ATOM 0 HA ILE B 14 -1.316 -0.607 -0.954 1.00 0.00 H new ATOM 0 HB ILE B 14 0.956 -1.742 0.667 1.00 0.00 H new ATOM 0 HG12 ILE B 14 -1.693 -3.041 -0.135 1.00 0.00 H new ATOM 0 HG13 ILE B 14 -0.258 -3.152 -1.136 1.00 0.00 H new ATOM 0 HG21 ILE B 14 -0.726 -2.219 2.456 1.00 0.00 H new ATOM 0 HG22 ILE B 14 -0.510 -0.473 2.189 1.00 0.00 H new ATOM 0 HG23 ILE B 14 -1.942 -1.303 1.534 1.00 0.00 H new ATOM 0 HD11 ILE B 14 -0.541 -5.185 0.218 1.00 0.00 H new ATOM 0 HD12 ILE B 14 0.944 -4.327 0.694 1.00 0.00 H new ATOM 0 HD13 ILE B 14 -0.513 -4.214 1.710 1.00 0.00 H new ATOM 1063 N LYS B 15 1.214 1.212 0.242 1.00 0.00 N ATOM 1064 CA LYS B 15 1.555 2.519 0.829 1.00 0.00 C ATOM 1065 C LYS B 15 1.266 3.714 -0.092 1.00 0.00 C ATOM 1066 O LYS B 15 0.875 4.782 0.378 1.00 0.00 O ATOM 1067 CB LYS B 15 3.008 2.532 1.348 1.00 0.00 C ATOM 1068 CG LYS B 15 4.088 2.487 0.250 1.00 0.00 C ATOM 1069 CD LYS B 15 5.512 2.527 0.830 1.00 0.00 C ATOM 1070 CE LYS B 15 5.896 3.971 1.194 1.00 0.00 C ATOM 1071 NZ LYS B 15 7.276 4.048 1.751 1.00 0.00 N ATOM 0 H LYS B 15 2.025 0.637 0.015 1.00 0.00 H new ATOM 0 HA LYS B 15 0.885 2.649 1.679 1.00 0.00 H new ATOM 0 HB2 LYS B 15 3.157 3.430 1.947 1.00 0.00 H new ATOM 0 HB3 LYS B 15 3.149 1.679 2.012 1.00 0.00 H new ATOM 0 HG2 LYS B 15 3.964 1.580 -0.341 1.00 0.00 H new ATOM 0 HG3 LYS B 15 3.950 3.330 -0.427 1.00 0.00 H new ATOM 0 HD2 LYS B 15 5.570 1.893 1.715 1.00 0.00 H new ATOM 0 HD3 LYS B 15 6.220 2.127 0.104 1.00 0.00 H new ATOM 0 HE2 LYS B 15 5.825 4.601 0.308 1.00 0.00 H new ATOM 0 HE3 LYS B 15 5.187 4.364 1.922 1.00 0.00 H new ATOM 0 HZ1 LYS B 15 7.501 5.036 1.985 1.00 0.00 H new ATOM 0 HZ2 LYS B 15 7.336 3.466 2.611 1.00 0.00 H new ATOM 0 HZ3 LYS B 15 7.955 3.696 1.046 1.00 0.00 H new ATOM 1085 N GLN B 16 1.423 3.528 -1.403 1.00 0.00 N ATOM 1086 CA GLN B 16 1.219 4.547 -2.433 1.00 0.00 C ATOM 1087 C GLN B 16 -0.266 4.839 -2.656 1.00 0.00 C ATOM 1088 O GLN B 16 -0.665 5.993 -2.800 1.00 0.00 O ATOM 1089 CB GLN B 16 1.885 4.065 -3.736 1.00 0.00 C ATOM 1090 CG GLN B 16 3.385 4.373 -3.813 1.00 0.00 C ATOM 1091 CD GLN B 16 3.650 5.829 -4.241 1.00 0.00 C ATOM 1092 OE1 GLN B 16 3.404 6.770 -3.505 1.00 0.00 O ATOM 1093 NE2 GLN B 16 4.141 6.067 -5.441 1.00 0.00 N ATOM 0 H GLN B 16 1.707 2.629 -1.791 1.00 0.00 H new ATOM 0 HA GLN B 16 1.675 5.481 -2.105 1.00 0.00 H new ATOM 0 HB2 GLN B 16 1.739 2.989 -3.832 1.00 0.00 H new ATOM 0 HB3 GLN B 16 1.383 4.531 -4.584 1.00 0.00 H new ATOM 0 HG2 GLN B 16 3.844 4.191 -2.841 1.00 0.00 H new ATOM 0 HG3 GLN B 16 3.859 3.694 -4.522 1.00 0.00 H new ATOM 0 HE21 GLN B 16 4.352 5.291 -6.069 1.00 0.00 H new ATOM 0 HE22 GLN B 16 4.310 7.027 -5.742 1.00 0.00 H new ATOM 1102 N TYR B 17 -1.102 3.804 -2.603 1.00 0.00 N ATOM 1103 CA TYR B 17 -2.552 3.928 -2.674 1.00 0.00 C ATOM 1104 C TYR B 17 -3.139 4.750 -1.524 1.00 0.00 C ATOM 1105 O TYR B 17 -4.043 5.559 -1.743 1.00 0.00 O ATOM 1106 CB TYR B 17 -3.173 2.533 -2.657 1.00 0.00 C ATOM 1107 CG TYR B 17 -3.061 1.750 -3.953 1.00 0.00 C ATOM 1108 CD1 TYR B 17 -3.476 2.334 -5.164 1.00 0.00 C ATOM 1109 CD2 TYR B 17 -2.572 0.427 -3.947 1.00 0.00 C ATOM 1110 CE1 TYR B 17 -3.365 1.616 -6.365 1.00 0.00 C ATOM 1111 CE2 TYR B 17 -2.463 -0.297 -5.148 1.00 0.00 C ATOM 1112 CZ TYR B 17 -2.854 0.302 -6.366 1.00 0.00 C ATOM 1113 OH TYR B 17 -2.840 -0.412 -7.523 1.00 0.00 O ATOM 0 H TYR B 17 -0.783 2.840 -2.508 1.00 0.00 H new ATOM 0 HA TYR B 17 -2.786 4.455 -3.599 1.00 0.00 H new ATOM 0 HB2 TYR B 17 -2.702 1.955 -1.862 1.00 0.00 H new ATOM 0 HB3 TYR B 17 -4.228 2.627 -2.400 1.00 0.00 H new ATOM 0 HD1 TYR B 17 -3.880 3.335 -5.169 1.00 0.00 H new ATOM 0 HD2 TYR B 17 -2.280 -0.033 -3.015 1.00 0.00 H new ATOM 0 HE1 TYR B 17 -3.673 2.073 -7.294 1.00 0.00 H new ATOM 0 HE2 TYR B 17 -2.082 -1.307 -5.139 1.00 0.00 H new ATOM 0 HH TYR B 17 -2.456 -1.298 -7.356 1.00 0.00 H new ATOM 1123 N ARG B 18 -2.622 4.579 -0.299 1.00 0.00 N ATOM 1124 CA ARG B 18 -3.096 5.372 0.843 1.00 0.00 C ATOM 1125 C ARG B 18 -2.746 6.862 0.707 1.00 0.00 C ATOM 1126 O ARG B 18 -3.530 7.720 1.111 1.00 0.00 O ATOM 1127 CB ARG B 18 -2.594 4.775 2.165 1.00 0.00 C ATOM 1128 CG ARG B 18 -3.671 3.887 2.813 1.00 0.00 C ATOM 1129 CD ARG B 18 -3.211 3.223 4.117 1.00 0.00 C ATOM 1130 NE ARG B 18 -2.955 4.205 5.191 1.00 0.00 N ATOM 1131 CZ ARG B 18 -2.697 3.933 6.459 1.00 0.00 C ATOM 1132 NH1 ARG B 18 -2.660 2.712 6.914 1.00 0.00 N ATOM 1133 NH2 ARG B 18 -2.468 4.896 7.307 1.00 0.00 N ATOM 0 H ARG B 18 -1.886 3.909 -0.075 1.00 0.00 H new ATOM 0 HA ARG B 18 -4.185 5.321 0.849 1.00 0.00 H new ATOM 0 HB2 ARG B 18 -1.694 4.188 1.984 1.00 0.00 H new ATOM 0 HB3 ARG B 18 -2.319 5.578 2.849 1.00 0.00 H new ATOM 0 HG2 ARG B 18 -4.556 4.491 3.014 1.00 0.00 H new ATOM 0 HG3 ARG B 18 -3.967 3.113 2.105 1.00 0.00 H new ATOM 0 HD2 ARG B 18 -3.971 2.516 4.449 1.00 0.00 H new ATOM 0 HD3 ARG B 18 -2.303 2.650 3.929 1.00 0.00 H new ATOM 0 HE ARG B 18 -2.980 5.190 4.928 1.00 0.00 H new ATOM 0 HH11 ARG B 18 -2.833 1.928 6.285 1.00 0.00 H new ATOM 0 HH12 ARG B 18 -2.458 2.541 7.899 1.00 0.00 H new ATOM 0 HH21 ARG B 18 -2.487 5.867 6.994 1.00 0.00 H new ATOM 0 HH22 ARG B 18 -2.270 4.679 8.284 1.00 0.00 H new ATOM 1147 N GLU B 19 -1.609 7.170 0.083 1.00 0.00 N ATOM 1148 CA GLU B 19 -1.197 8.535 -0.278 1.00 0.00 C ATOM 1149 C GLU B 19 -2.060 9.135 -1.407 1.00 0.00 C ATOM 1150 O GLU B 19 -2.378 10.324 -1.391 1.00 0.00 O ATOM 1151 CB GLU B 19 0.279 8.506 -0.717 1.00 0.00 C ATOM 1152 CG GLU B 19 1.027 9.814 -0.430 1.00 0.00 C ATOM 1153 CD GLU B 19 1.587 9.847 1.008 1.00 0.00 C ATOM 1154 OE1 GLU B 19 0.795 9.875 1.979 1.00 0.00 O ATOM 1155 OE2 GLU B 19 2.831 9.844 1.178 1.00 0.00 O ATOM 0 H GLU B 19 -0.929 6.462 -0.194 1.00 0.00 H new ATOM 0 HA GLU B 19 -1.332 9.169 0.598 1.00 0.00 H new ATOM 0 HB2 GLU B 19 0.786 7.687 -0.207 1.00 0.00 H new ATOM 0 HB3 GLU B 19 0.328 8.295 -1.785 1.00 0.00 H new ATOM 0 HG2 GLU B 19 1.844 9.930 -1.142 1.00 0.00 H new ATOM 0 HG3 GLU B 19 0.354 10.658 -0.578 1.00 0.00 H new ATOM 1162 N ALA B 20 -2.466 8.310 -2.378 1.00 0.00 N ATOM 1163 CA ALA B 20 -3.285 8.707 -3.521 1.00 0.00 C ATOM 1164 C ALA B 20 -4.650 9.250 -3.098 1.00 0.00 C ATOM 1165 O ALA B 20 -5.006 10.350 -3.515 1.00 0.00 O ATOM 1166 CB ALA B 20 -3.397 7.537 -4.505 1.00 0.00 C ATOM 0 H ALA B 20 -2.225 7.319 -2.388 1.00 0.00 H new ATOM 0 HA ALA B 20 -2.791 9.535 -4.029 1.00 0.00 H new ATOM 0 HB1 ALA B 20 -4.008 7.835 -5.357 1.00 0.00 H new ATOM 0 HB2 ALA B 20 -2.402 7.257 -4.852 1.00 0.00 H new ATOM 0 HB3 ALA B 20 -3.860 6.685 -4.007 1.00 0.00 H new ATOM 1172 N LEU B 21 -5.351 8.562 -2.190 1.00 0.00 N ATOM 1173 CA LEU B 21 -6.633 9.005 -1.625 1.00 0.00 C ATOM 1174 C LEU B 21 -6.573 10.423 -1.039 1.00 0.00 C ATOM 1175 O LEU B 21 -7.569 11.133 -1.104 1.00 0.00 O ATOM 1176 CB LEU B 21 -7.082 7.979 -0.571 1.00 0.00 C ATOM 1177 CG LEU B 21 -8.477 8.229 0.049 1.00 0.00 C ATOM 1178 CD1 LEU B 21 -9.517 7.242 -0.481 1.00 0.00 C ATOM 1179 CD2 LEU B 21 -8.425 8.102 1.573 1.00 0.00 C ATOM 0 H LEU B 21 -5.038 7.665 -1.819 1.00 0.00 H new ATOM 0 HA LEU B 21 -7.365 9.058 -2.431 1.00 0.00 H new ATOM 0 HB2 LEU B 21 -7.079 6.989 -1.028 1.00 0.00 H new ATOM 0 HB3 LEU B 21 -6.345 7.962 0.232 1.00 0.00 H new ATOM 0 HG LEU B 21 -8.767 9.241 -0.233 1.00 0.00 H new ATOM 0 HD11 LEU B 21 -10.483 7.450 -0.022 1.00 0.00 H new ATOM 0 HD12 LEU B 21 -9.599 7.346 -1.563 1.00 0.00 H new ATOM 0 HD13 LEU B 21 -9.211 6.225 -0.237 1.00 0.00 H new ATOM 0 HD21 LEU B 21 -9.417 8.282 1.987 1.00 0.00 H new ATOM 0 HD22 LEU B 21 -8.095 7.099 1.843 1.00 0.00 H new ATOM 0 HD23 LEU B 21 -7.726 8.835 1.976 1.00 0.00 H new ATOM 1191 N GLU B 22 -5.421 10.886 -0.544 1.00 0.00 N ATOM 1192 CA GLU B 22 -5.287 12.278 -0.074 1.00 0.00 C ATOM 1193 C GLU B 22 -5.570 13.315 -1.178 1.00 0.00 C ATOM 1194 O GLU B 22 -6.094 14.397 -0.900 1.00 0.00 O ATOM 1195 CB GLU B 22 -3.892 12.523 0.520 1.00 0.00 C ATOM 1196 CG GLU B 22 -4.001 13.278 1.853 1.00 0.00 C ATOM 1197 CD GLU B 22 -2.636 13.789 2.367 1.00 0.00 C ATOM 1198 OE1 GLU B 22 -1.665 13.001 2.440 1.00 0.00 O ATOM 1199 OE2 GLU B 22 -2.540 14.984 2.732 1.00 0.00 O ATOM 0 H GLU B 22 -4.572 10.327 -0.457 1.00 0.00 H new ATOM 0 HA GLU B 22 -6.043 12.410 0.700 1.00 0.00 H new ATOM 0 HB2 GLU B 22 -3.384 11.571 0.675 1.00 0.00 H new ATOM 0 HB3 GLU B 22 -3.287 13.097 -0.182 1.00 0.00 H new ATOM 0 HG2 GLU B 22 -4.678 14.124 1.732 1.00 0.00 H new ATOM 0 HG3 GLU B 22 -4.443 12.621 2.602 1.00 0.00 H new ATOM 1206 N TYR B 23 -5.281 12.948 -2.429 1.00 0.00 N ATOM 1207 CA TYR B 23 -5.623 13.713 -3.638 1.00 0.00 C ATOM 1208 C TYR B 23 -6.860 13.170 -4.384 1.00 0.00 C ATOM 1209 O TYR B 23 -7.458 13.893 -5.184 1.00 0.00 O ATOM 1210 CB TYR B 23 -4.399 13.752 -4.565 1.00 0.00 C ATOM 1211 CG TYR B 23 -3.248 14.578 -4.017 1.00 0.00 C ATOM 1212 CD1 TYR B 23 -2.293 13.993 -3.160 1.00 0.00 C ATOM 1213 CD2 TYR B 23 -3.152 15.946 -4.344 1.00 0.00 C ATOM 1214 CE1 TYR B 23 -1.251 14.776 -2.625 1.00 0.00 C ATOM 1215 CE2 TYR B 23 -2.109 16.731 -3.816 1.00 0.00 C ATOM 1216 CZ TYR B 23 -1.156 16.147 -2.951 1.00 0.00 C ATOM 1217 OH TYR B 23 -0.147 16.899 -2.428 1.00 0.00 O ATOM 0 H TYR B 23 -4.786 12.081 -2.639 1.00 0.00 H new ATOM 0 HA TYR B 23 -5.894 14.720 -3.323 1.00 0.00 H new ATOM 0 HB2 TYR B 23 -4.053 12.733 -4.740 1.00 0.00 H new ATOM 0 HB3 TYR B 23 -4.698 14.157 -5.532 1.00 0.00 H new ATOM 0 HD1 TYR B 23 -2.360 12.944 -2.914 1.00 0.00 H new ATOM 0 HD2 TYR B 23 -3.882 16.394 -5.002 1.00 0.00 H new ATOM 0 HE1 TYR B 23 -0.524 14.327 -1.965 1.00 0.00 H new ATOM 0 HE2 TYR B 23 -2.037 17.778 -4.072 1.00 0.00 H new ATOM 0 HH TYR B 23 -0.224 17.821 -2.752 1.00 0.00 H new ATOM 1227 N THR B 24 -7.275 11.925 -4.117 1.00 0.00 N ATOM 1228 CA THR B 24 -8.320 11.188 -4.852 1.00 0.00 C ATOM 1229 C THR B 24 -9.264 10.408 -3.921 1.00 0.00 C ATOM 1230 O THR B 24 -9.316 9.183 -3.956 1.00 0.00 O ATOM 1231 CB THR B 24 -7.725 10.275 -5.955 1.00 0.00 C ATOM 1232 OG1 THR B 24 -6.898 9.245 -5.461 1.00 0.00 O ATOM 1233 CG2 THR B 24 -6.855 11.035 -6.958 1.00 0.00 C ATOM 0 H THR B 24 -6.878 11.378 -3.353 1.00 0.00 H new ATOM 0 HA THR B 24 -8.927 11.944 -5.350 1.00 0.00 H new ATOM 0 HB THR B 24 -8.618 9.864 -6.425 1.00 0.00 H new ATOM 0 HG1 THR B 24 -7.398 8.706 -4.813 1.00 0.00 H new ATOM 0 HG21 THR B 24 -6.469 10.341 -7.704 1.00 0.00 H new ATOM 0 HG22 THR B 24 -7.453 11.801 -7.451 1.00 0.00 H new ATOM 0 HG23 THR B 24 -6.023 11.505 -6.435 1.00 0.00 H new ATOM 1241 N HIS B 25 -10.033 11.107 -3.071 1.00 0.00 N ATOM 1242 CA HIS B 25 -11.105 10.588 -2.178 1.00 0.00 C ATOM 1243 C HIS B 25 -12.275 9.831 -2.881 1.00 0.00 C ATOM 1244 O HIS B 25 -13.453 10.124 -2.661 1.00 0.00 O ATOM 1245 CB HIS B 25 -11.615 11.718 -1.256 1.00 0.00 C ATOM 1246 CG HIS B 25 -10.689 12.029 -0.107 1.00 0.00 C ATOM 1247 ND1 HIS B 25 -10.733 11.455 1.153 1.00 0.00 N ATOM 1248 CD2 HIS B 25 -9.660 12.924 -0.121 1.00 0.00 C ATOM 1249 CE1 HIS B 25 -9.738 11.993 1.890 1.00 0.00 C ATOM 1250 NE2 HIS B 25 -9.079 12.896 1.136 1.00 0.00 N ATOM 0 H HIS B 25 -9.923 12.117 -2.976 1.00 0.00 H new ATOM 0 HA HIS B 25 -10.633 9.807 -1.582 1.00 0.00 H new ATOM 0 HB2 HIS B 25 -11.759 12.621 -1.849 1.00 0.00 H new ATOM 0 HB3 HIS B 25 -12.591 11.438 -0.859 1.00 0.00 H new ATOM 0 HD2 HIS B 25 -9.356 13.539 -0.955 1.00 0.00 H new ATOM 0 HE1 HIS B 25 -9.508 11.742 2.915 1.00 0.00 H new ATOM 0 HE2 HIS B 25 -8.287 13.462 1.440 1.00 0.00 H new ATOM 1259 N ASN B 26 -11.971 8.865 -3.747 1.00 0.00 N ATOM 1260 CA ASN B 26 -12.908 8.010 -4.478 1.00 0.00 C ATOM 1261 C ASN B 26 -13.152 6.668 -3.756 1.00 0.00 C ATOM 1262 O ASN B 26 -12.260 6.178 -3.054 1.00 0.00 O ATOM 1263 CB ASN B 26 -12.313 7.792 -5.883 1.00 0.00 C ATOM 1264 CG ASN B 26 -12.446 9.049 -6.728 1.00 0.00 C ATOM 1265 OD1 ASN B 26 -11.357 9.727 -7.014 1.00 0.00 O flip ATOM 1266 ND2 ASN B 26 -13.534 9.442 -7.123 1.00 0.00 N flip ATOM 0 H ASN B 26 -11.001 8.644 -3.972 1.00 0.00 H new ATOM 0 HA ASN B 26 -13.884 8.490 -4.541 1.00 0.00 H new ATOM 0 HB2 ASN B 26 -11.262 7.515 -5.799 1.00 0.00 H new ATOM 0 HB3 ASN B 26 -12.823 6.963 -6.374 1.00 0.00 H new ATOM 0 HD21 ASN B 26 -14.378 8.915 -6.900 1.00 0.00 H new ATOM 0 HD22 ASN B 26 -13.598 10.297 -7.675 1.00 0.00 H new ATOM 1273 N PRO B 27 -14.307 6.006 -3.986 1.00 0.00 N ATOM 1274 CA PRO B 27 -14.620 4.694 -3.402 1.00 0.00 C ATOM 1275 C PRO B 27 -13.776 3.549 -3.988 1.00 0.00 C ATOM 1276 O PRO B 27 -13.810 2.429 -3.486 1.00 0.00 O ATOM 1277 CB PRO B 27 -16.112 4.480 -3.694 1.00 0.00 C ATOM 1278 CG PRO B 27 -16.328 5.241 -5.000 1.00 0.00 C ATOM 1279 CD PRO B 27 -15.408 6.450 -4.837 1.00 0.00 C ATOM 0 HA PRO B 27 -14.389 4.684 -2.337 1.00 0.00 H new ATOM 0 HB2 PRO B 27 -16.353 3.422 -3.800 1.00 0.00 H new ATOM 0 HB3 PRO B 27 -16.739 4.871 -2.892 1.00 0.00 H new ATOM 0 HG2 PRO B 27 -16.058 4.640 -5.869 1.00 0.00 H new ATOM 0 HG3 PRO B 27 -17.369 5.538 -5.129 1.00 0.00 H new ATOM 0 HD2 PRO B 27 -15.040 6.793 -5.804 1.00 0.00 H new ATOM 0 HD3 PRO B 27 -15.939 7.286 -4.383 1.00 0.00 H new ATOM 1287 N VAL B 28 -13.024 3.812 -5.060 1.00 0.00 N ATOM 1288 CA VAL B 28 -12.266 2.807 -5.822 1.00 0.00 C ATOM 1289 C VAL B 28 -10.996 2.352 -5.107 1.00 0.00 C ATOM 1290 O VAL B 28 -10.653 1.172 -5.162 1.00 0.00 O ATOM 1291 CB VAL B 28 -11.984 3.375 -7.218 1.00 0.00 C ATOM 1292 CG1 VAL B 28 -11.140 2.441 -8.062 1.00 0.00 C ATOM 1293 CG2 VAL B 28 -13.282 3.642 -7.996 1.00 0.00 C ATOM 0 H VAL B 28 -12.921 4.755 -5.435 1.00 0.00 H new ATOM 0 HA VAL B 28 -12.866 1.902 -5.913 1.00 0.00 H new ATOM 0 HB VAL B 28 -11.444 4.306 -7.043 1.00 0.00 H new ATOM 0 HG11 VAL B 28 -10.969 2.890 -9.041 1.00 0.00 H new ATOM 0 HG12 VAL B 28 -10.183 2.270 -7.569 1.00 0.00 H new ATOM 0 HG13 VAL B 28 -11.660 1.491 -8.184 1.00 0.00 H new ATOM 0 HG21 VAL B 28 -13.040 4.044 -8.980 1.00 0.00 H new ATOM 0 HG22 VAL B 28 -13.836 2.710 -8.111 1.00 0.00 H new ATOM 0 HG23 VAL B 28 -13.892 4.362 -7.450 1.00 0.00 H new ATOM 1303 N LEU B 29 -10.314 3.227 -4.367 1.00 0.00 N ATOM 1304 CA LEU B 29 -9.140 2.836 -3.592 1.00 0.00 C ATOM 1305 C LEU B 29 -9.520 1.930 -2.408 1.00 0.00 C ATOM 1306 O LEU B 29 -8.797 0.981 -2.111 1.00 0.00 O ATOM 1307 CB LEU B 29 -8.379 4.086 -3.144 1.00 0.00 C ATOM 1308 CG LEU B 29 -7.845 4.925 -4.323 1.00 0.00 C ATOM 1309 CD1 LEU B 29 -8.795 6.072 -4.676 1.00 0.00 C ATOM 1310 CD2 LEU B 29 -6.487 5.530 -3.991 1.00 0.00 C ATOM 0 H LEU B 29 -10.557 4.215 -4.289 1.00 0.00 H new ATOM 0 HA LEU B 29 -8.479 2.245 -4.226 1.00 0.00 H new ATOM 0 HB2 LEU B 29 -9.037 4.705 -2.534 1.00 0.00 H new ATOM 0 HB3 LEU B 29 -7.544 3.788 -2.510 1.00 0.00 H new ATOM 0 HG LEU B 29 -7.760 4.245 -5.171 1.00 0.00 H new ATOM 0 HD11 LEU B 29 -8.385 6.640 -5.511 1.00 0.00 H new ATOM 0 HD12 LEU B 29 -9.767 5.666 -4.956 1.00 0.00 H new ATOM 0 HD13 LEU B 29 -8.910 6.728 -3.813 1.00 0.00 H new ATOM 0 HD21 LEU B 29 -6.133 6.117 -4.839 1.00 0.00 H new ATOM 0 HD22 LEU B 29 -6.580 6.175 -3.117 1.00 0.00 H new ATOM 0 HD23 LEU B 29 -5.775 4.732 -3.779 1.00 0.00 H new ATOM 1322 N ALA B 30 -10.718 2.127 -1.844 1.00 0.00 N ATOM 1323 CA ALA B 30 -11.391 1.206 -0.920 1.00 0.00 C ATOM 1324 C ALA B 30 -11.844 -0.131 -1.571 1.00 0.00 C ATOM 1325 O ALA B 30 -12.572 -0.908 -0.949 1.00 0.00 O ATOM 1326 CB ALA B 30 -12.552 1.956 -0.253 1.00 0.00 C ATOM 0 H ALA B 30 -11.267 2.967 -2.026 1.00 0.00 H new ATOM 0 HA ALA B 30 -10.668 0.892 -0.167 1.00 0.00 H new ATOM 0 HB1 ALA B 30 -13.067 1.289 0.439 1.00 0.00 H new ATOM 0 HB2 ALA B 30 -12.164 2.816 0.293 1.00 0.00 H new ATOM 0 HB3 ALA B 30 -13.251 2.297 -1.016 1.00 0.00 H new ATOM 1332 N LYS B 31 -11.380 -0.419 -2.797 1.00 0.00 N ATOM 1333 CA LYS B 31 -11.406 -1.722 -3.467 1.00 0.00 C ATOM 1334 C LYS B 31 -9.990 -2.150 -3.856 1.00 0.00 C ATOM 1335 O LYS B 31 -9.571 -3.239 -3.483 1.00 0.00 O ATOM 1336 CB LYS B 31 -12.329 -1.716 -4.703 1.00 0.00 C ATOM 1337 CG LYS B 31 -13.690 -1.045 -4.474 1.00 0.00 C ATOM 1338 CD LYS B 31 -14.576 -1.121 -5.724 1.00 0.00 C ATOM 1339 CE LYS B 31 -15.821 -0.251 -5.509 1.00 0.00 C ATOM 1340 NZ LYS B 31 -16.772 -0.359 -6.652 1.00 0.00 N ATOM 0 H LYS B 31 -10.950 0.299 -3.381 1.00 0.00 H new ATOM 0 HA LYS B 31 -11.813 -2.446 -2.761 1.00 0.00 H new ATOM 0 HB2 LYS B 31 -11.819 -1.206 -5.520 1.00 0.00 H new ATOM 0 HB3 LYS B 31 -12.494 -2.745 -5.023 1.00 0.00 H new ATOM 0 HG2 LYS B 31 -14.197 -1.527 -3.638 1.00 0.00 H new ATOM 0 HG3 LYS B 31 -13.540 -0.002 -4.197 1.00 0.00 H new ATOM 0 HD2 LYS B 31 -14.023 -0.777 -6.598 1.00 0.00 H new ATOM 0 HD3 LYS B 31 -14.867 -2.154 -5.917 1.00 0.00 H new ATOM 0 HE2 LYS B 31 -16.322 -0.553 -4.589 1.00 0.00 H new ATOM 0 HE3 LYS B 31 -15.521 0.789 -5.382 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 -17.601 0.242 -6.472 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 -16.302 -0.047 -7.526 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 -17.078 -1.348 -6.757 1.00 0.00 H new ATOM 1354 N ILE B 32 -9.218 -1.272 -4.507 1.00 0.00 N ATOM 1355 CA ILE B 32 -7.840 -1.571 -4.952 1.00 0.00 C ATOM 1356 C ILE B 32 -6.939 -1.928 -3.769 1.00 0.00 C ATOM 1357 O ILE B 32 -6.562 -3.091 -3.621 1.00 0.00 O ATOM 1358 CB ILE B 32 -7.228 -0.431 -5.801 1.00 0.00 C ATOM 1359 CG1 ILE B 32 -8.044 -0.054 -7.057 1.00 0.00 C ATOM 1360 CG2 ILE B 32 -5.838 -0.889 -6.264 1.00 0.00 C ATOM 1361 CD1 ILE B 32 -7.645 1.327 -7.605 1.00 0.00 C ATOM 0 H ILE B 32 -9.527 -0.329 -4.744 1.00 0.00 H new ATOM 0 HA ILE B 32 -7.905 -2.443 -5.602 1.00 0.00 H new ATOM 0 HB ILE B 32 -7.208 0.455 -5.167 1.00 0.00 H new ATOM 0 HG12 ILE B 32 -7.893 -0.809 -7.829 1.00 0.00 H new ATOM 0 HG13 ILE B 32 -9.107 -0.055 -6.814 1.00 0.00 H new ATOM 0 HG21 ILE B 32 -5.379 -0.105 -6.867 1.00 0.00 H new ATOM 0 HG22 ILE B 32 -5.213 -1.091 -5.394 1.00 0.00 H new ATOM 0 HG23 ILE B 32 -5.934 -1.796 -6.861 1.00 0.00 H new ATOM 0 HD11 ILE B 32 -8.242 1.554 -8.488 1.00 0.00 H new ATOM 0 HD12 ILE B 32 -7.821 2.086 -6.843 1.00 0.00 H new ATOM 0 HD13 ILE B 32 -6.589 1.321 -7.873 1.00 0.00 H new ATOM 1373 N LEU B 33 -6.616 -0.960 -2.905 1.00 0.00 N ATOM 1374 CA LEU B 33 -5.748 -1.208 -1.749 1.00 0.00 C ATOM 1375 C LEU B 33 -6.429 -2.108 -0.719 1.00 0.00 C ATOM 1376 O LEU B 33 -5.748 -2.832 0.007 1.00 0.00 O ATOM 1377 CB LEU B 33 -5.201 0.116 -1.187 1.00 0.00 C ATOM 1378 CG LEU B 33 -6.019 0.828 -0.090 1.00 0.00 C ATOM 1379 CD1 LEU B 33 -5.649 0.367 1.324 1.00 0.00 C ATOM 1380 CD2 LEU B 33 -5.778 2.336 -0.130 1.00 0.00 C ATOM 0 H LEU B 33 -6.943 0.003 -2.984 1.00 0.00 H new ATOM 0 HA LEU B 33 -4.873 -1.773 -2.071 1.00 0.00 H new ATOM 0 HB2 LEU B 33 -4.204 -0.076 -0.789 1.00 0.00 H new ATOM 0 HB3 LEU B 33 -5.084 0.810 -2.020 1.00 0.00 H new ATOM 0 HG LEU B 33 -7.059 0.576 -0.297 1.00 0.00 H new ATOM 0 HD11 LEU B 33 -6.257 0.903 2.052 1.00 0.00 H new ATOM 0 HD12 LEU B 33 -5.831 -0.704 1.417 1.00 0.00 H new ATOM 0 HD13 LEU B 33 -4.595 0.573 1.510 1.00 0.00 H new ATOM 0 HD21 LEU B 33 -6.364 2.819 0.652 1.00 0.00 H new ATOM 0 HD22 LEU B 33 -4.720 2.540 0.032 1.00 0.00 H new ATOM 0 HD23 LEU B 33 -6.078 2.727 -1.102 1.00 0.00 H new ATOM 1392 N GLU B 34 -7.766 -2.111 -0.702 1.00 0.00 N ATOM 1393 CA GLU B 34 -8.533 -3.043 0.118 1.00 0.00 C ATOM 1394 C GLU B 34 -8.219 -4.500 -0.257 1.00 0.00 C ATOM 1395 O GLU B 34 -8.037 -5.317 0.641 1.00 0.00 O ATOM 1396 CB GLU B 34 -10.030 -2.712 0.044 1.00 0.00 C ATOM 1397 CG GLU B 34 -10.884 -3.362 1.149 1.00 0.00 C ATOM 1398 CD GLU B 34 -11.532 -4.703 0.742 1.00 0.00 C ATOM 1399 OE1 GLU B 34 -12.368 -4.727 -0.191 1.00 0.00 O ATOM 1400 OE2 GLU B 34 -11.273 -5.737 1.405 1.00 0.00 O ATOM 0 H GLU B 34 -8.339 -1.472 -1.253 1.00 0.00 H new ATOM 0 HA GLU B 34 -8.234 -2.929 1.160 1.00 0.00 H new ATOM 0 HB2 GLU B 34 -10.153 -1.630 0.097 1.00 0.00 H new ATOM 0 HB3 GLU B 34 -10.412 -3.029 -0.926 1.00 0.00 H new ATOM 0 HG2 GLU B 34 -10.259 -3.525 2.027 1.00 0.00 H new ATOM 0 HG3 GLU B 34 -11.670 -2.666 1.442 1.00 0.00 H new ATOM 1407 N ASP B 35 -8.057 -4.822 -1.547 1.00 0.00 N ATOM 1408 CA ASP B 35 -7.683 -6.166 -1.985 1.00 0.00 C ATOM 1409 C ASP B 35 -6.208 -6.508 -1.759 1.00 0.00 C ATOM 1410 O ASP B 35 -5.915 -7.588 -1.243 1.00 0.00 O ATOM 1411 CB ASP B 35 -7.994 -6.351 -3.468 1.00 0.00 C ATOM 1412 CG ASP B 35 -9.471 -6.240 -3.882 1.00 0.00 C ATOM 1413 OD1 ASP B 35 -10.368 -6.628 -3.092 1.00 0.00 O ATOM 1414 OD2 ASP B 35 -9.707 -5.820 -5.041 1.00 0.00 O ATOM 0 H ASP B 35 -8.182 -4.158 -2.311 1.00 0.00 H new ATOM 0 HA ASP B 35 -8.276 -6.842 -1.368 1.00 0.00 H new ATOM 0 HB2 ASP B 35 -7.426 -5.609 -4.030 1.00 0.00 H new ATOM 0 HB3 ASP B 35 -7.628 -7.331 -3.773 1.00 0.00 H new ATOM 1419 N GLU B 36 -5.268 -5.606 -2.077 1.00 0.00 N ATOM 1420 CA GLU B 36 -3.840 -5.831 -1.802 1.00 0.00 C ATOM 1421 C GLU B 36 -3.551 -6.151 -0.321 1.00 0.00 C ATOM 1422 O GLU B 36 -2.563 -6.817 -0.013 1.00 0.00 O ATOM 1423 CB GLU B 36 -3.018 -4.593 -2.191 1.00 0.00 C ATOM 1424 CG GLU B 36 -3.224 -3.991 -3.587 1.00 0.00 C ATOM 1425 CD GLU B 36 -2.942 -4.917 -4.764 1.00 0.00 C ATOM 1426 OE1 GLU B 36 -2.482 -6.073 -4.617 1.00 0.00 O ATOM 1427 OE2 GLU B 36 -3.205 -4.531 -5.928 1.00 0.00 O ATOM 0 H GLU B 36 -5.471 -4.713 -2.525 1.00 0.00 H new ATOM 0 HA GLU B 36 -3.555 -6.696 -2.401 1.00 0.00 H new ATOM 0 HB2 GLU B 36 -3.226 -3.813 -1.459 1.00 0.00 H new ATOM 0 HB3 GLU B 36 -1.963 -4.850 -2.092 1.00 0.00 H new ATOM 0 HG2 GLU B 36 -4.255 -3.644 -3.662 1.00 0.00 H new ATOM 0 HG3 GLU B 36 -2.585 -3.113 -3.680 1.00 0.00 H new ATOM 1434 N GLU B 37 -4.428 -5.722 0.592 1.00 0.00 N ATOM 1435 CA GLU B 37 -4.293 -5.981 2.032 1.00 0.00 C ATOM 1436 C GLU B 37 -4.577 -7.451 2.393 1.00 0.00 C ATOM 1437 O GLU B 37 -4.022 -7.972 3.364 1.00 0.00 O ATOM 1438 CB GLU B 37 -5.226 -5.035 2.802 1.00 0.00 C ATOM 1439 CG GLU B 37 -4.825 -4.892 4.274 1.00 0.00 C ATOM 1440 CD GLU B 37 -5.593 -3.742 4.958 1.00 0.00 C ATOM 1441 OE1 GLU B 37 -6.787 -3.919 5.299 1.00 0.00 O ATOM 1442 OE2 GLU B 37 -5.000 -2.659 5.179 1.00 0.00 O ATOM 0 H GLU B 37 -5.259 -5.181 0.352 1.00 0.00 H new ATOM 0 HA GLU B 37 -3.258 -5.791 2.318 1.00 0.00 H new ATOM 0 HB2 GLU B 37 -5.216 -4.053 2.328 1.00 0.00 H new ATOM 0 HB3 GLU B 37 -6.248 -5.408 2.741 1.00 0.00 H new ATOM 0 HG2 GLU B 37 -5.023 -5.827 4.799 1.00 0.00 H new ATOM 0 HG3 GLU B 37 -3.753 -4.708 4.344 1.00 0.00 H new ATOM 1449 N LYS B 38 -5.388 -8.140 1.577 1.00 0.00 N ATOM 1450 CA LYS B 38 -5.559 -9.602 1.633 1.00 0.00 C ATOM 1451 C LYS B 38 -4.483 -10.326 0.848 1.00 0.00 C ATOM 1452 O LYS B 38 -3.945 -11.299 1.361 1.00 0.00 O ATOM 1453 CB LYS B 38 -6.907 -10.085 1.075 1.00 0.00 C ATOM 1454 CG LYS B 38 -8.142 -9.579 1.819 1.00 0.00 C ATOM 1455 CD LYS B 38 -8.708 -8.301 1.196 1.00 0.00 C ATOM 1456 CE LYS B 38 -9.823 -8.582 0.180 1.00 0.00 C ATOM 1457 NZ LYS B 38 -11.163 -8.451 0.801 1.00 0.00 N ATOM 0 H LYS B 38 -5.950 -7.695 0.852 1.00 0.00 H new ATOM 0 HA LYS B 38 -5.500 -9.834 2.696 1.00 0.00 H new ATOM 0 HB2 LYS B 38 -6.981 -9.778 0.032 1.00 0.00 H new ATOM 0 HB3 LYS B 38 -6.917 -11.175 1.088 1.00 0.00 H new ATOM 0 HG2 LYS B 38 -8.909 -10.354 1.816 1.00 0.00 H new ATOM 0 HG3 LYS B 38 -7.884 -9.390 2.861 1.00 0.00 H new ATOM 0 HD2 LYS B 38 -9.095 -7.657 1.986 1.00 0.00 H new ATOM 0 HD3 LYS B 38 -7.903 -7.754 0.705 1.00 0.00 H new ATOM 0 HE2 LYS B 38 -9.738 -7.889 -0.657 1.00 0.00 H new ATOM 0 HE3 LYS B 38 -9.704 -9.587 -0.225 1.00 0.00 H new ATOM 0 HZ1 LYS B 38 -11.885 -8.824 0.152 1.00 0.00 H new ATOM 0 HZ2 LYS B 38 -11.187 -8.989 1.691 1.00 0.00 H new ATOM 0 HZ3 LYS B 38 -11.358 -7.448 0.997 1.00 0.00 H new ATOM 1471 N HIS B 39 -4.180 -9.877 -0.375 1.00 0.00 N ATOM 1472 CA HIS B 39 -3.394 -10.586 -1.377 1.00 0.00 C ATOM 1473 C HIS B 39 -2.132 -11.249 -0.816 1.00 0.00 C ATOM 1474 O HIS B 39 -1.932 -12.444 -1.011 1.00 0.00 O ATOM 1475 CB HIS B 39 -3.058 -9.564 -2.464 1.00 0.00 C ATOM 1476 CG HIS B 39 -4.130 -9.238 -3.467 1.00 0.00 C ATOM 1477 ND1 HIS B 39 -3.894 -8.475 -4.616 1.00 0.00 N ATOM 1478 CD2 HIS B 39 -5.443 -9.607 -3.430 1.00 0.00 C ATOM 1479 CE1 HIS B 39 -5.091 -8.396 -5.236 1.00 0.00 C ATOM 1480 NE2 HIS B 39 -6.026 -9.087 -4.560 1.00 0.00 N ATOM 0 H HIS B 39 -4.494 -8.964 -0.704 1.00 0.00 H new ATOM 0 HA HIS B 39 -3.976 -11.419 -1.773 1.00 0.00 H new ATOM 0 HB2 HIS B 39 -2.763 -8.636 -1.974 1.00 0.00 H new ATOM 0 HB3 HIS B 39 -2.187 -9.927 -3.009 1.00 0.00 H new ATOM 0 HD2 HIS B 39 -5.928 -10.193 -2.663 1.00 0.00 H new ATOM 0 HE1 HIS B 39 -5.273 -7.852 -6.151 1.00 0.00 H new ATOM 0 HE2 HIS B 39 -7.000 -9.205 -4.838 1.00 0.00 H new ATOM 1488 N ILE B 40 -1.322 -10.502 -0.063 1.00 0.00 N ATOM 1489 CA ILE B 40 -0.070 -11.016 0.514 1.00 0.00 C ATOM 1490 C ILE B 40 -0.268 -12.177 1.500 1.00 0.00 C ATOM 1491 O ILE B 40 0.518 -13.125 1.484 1.00 0.00 O ATOM 1492 CB ILE B 40 0.708 -9.844 1.146 1.00 0.00 C ATOM 1493 CG1 ILE B 40 1.126 -8.832 0.057 1.00 0.00 C ATOM 1494 CG2 ILE B 40 1.938 -10.290 1.960 1.00 0.00 C ATOM 1495 CD1 ILE B 40 1.956 -9.439 -1.087 1.00 0.00 C ATOM 0 H ILE B 40 -1.511 -9.526 0.166 1.00 0.00 H new ATOM 0 HA ILE B 40 0.514 -11.451 -0.297 1.00 0.00 H new ATOM 0 HB ILE B 40 0.028 -9.369 1.853 1.00 0.00 H new ATOM 0 HG12 ILE B 40 0.229 -8.377 -0.363 1.00 0.00 H new ATOM 0 HG13 ILE B 40 1.701 -8.032 0.523 1.00 0.00 H new ATOM 0 HG21 ILE B 40 2.437 -9.414 2.375 1.00 0.00 H new ATOM 0 HG22 ILE B 40 1.620 -10.945 2.771 1.00 0.00 H new ATOM 0 HG23 ILE B 40 2.629 -10.827 1.310 1.00 0.00 H new ATOM 0 HD11 ILE B 40 2.207 -8.660 -1.807 1.00 0.00 H new ATOM 0 HD12 ILE B 40 2.873 -9.869 -0.683 1.00 0.00 H new ATOM 0 HD13 ILE B 40 1.377 -10.219 -1.582 1.00 0.00 H new ATOM 1507 N GLU B 41 -1.319 -12.157 2.323 1.00 0.00 N ATOM 1508 CA GLU B 41 -1.661 -13.294 3.188 1.00 0.00 C ATOM 1509 C GLU B 41 -2.452 -14.377 2.445 1.00 0.00 C ATOM 1510 O GLU B 41 -2.246 -15.560 2.712 1.00 0.00 O ATOM 1511 CB GLU B 41 -2.396 -12.824 4.453 1.00 0.00 C ATOM 1512 CG GLU B 41 -1.401 -12.221 5.458 1.00 0.00 C ATOM 1513 CD GLU B 41 -2.097 -11.801 6.768 1.00 0.00 C ATOM 1514 OE1 GLU B 41 -2.468 -12.686 7.577 1.00 0.00 O ATOM 1515 OE2 GLU B 41 -2.259 -10.580 7.012 1.00 0.00 O ATOM 0 H GLU B 41 -1.952 -11.362 2.410 1.00 0.00 H new ATOM 0 HA GLU B 41 -0.722 -13.754 3.496 1.00 0.00 H new ATOM 0 HB2 GLU B 41 -3.150 -12.083 4.189 1.00 0.00 H new ATOM 0 HB3 GLU B 41 -2.920 -13.663 4.910 1.00 0.00 H new ATOM 0 HG2 GLU B 41 -0.620 -12.949 5.678 1.00 0.00 H new ATOM 0 HG3 GLU B 41 -0.913 -11.355 5.011 1.00 0.00 H new ATOM 1522 N TRP B 42 -3.275 -14.018 1.460 1.00 0.00 N ATOM 1523 CA TRP B 42 -3.933 -14.957 0.546 1.00 0.00 C ATOM 1524 C TRP B 42 -2.945 -15.912 -0.135 1.00 0.00 C ATOM 1525 O TRP B 42 -3.160 -17.125 -0.090 1.00 0.00 O ATOM 1526 CB TRP B 42 -4.792 -14.154 -0.449 1.00 0.00 C ATOM 1527 CG TRP B 42 -6.181 -13.817 -0.004 1.00 0.00 C ATOM 1528 CD1 TRP B 42 -6.724 -14.086 1.204 1.00 0.00 C ATOM 1529 CD2 TRP B 42 -7.217 -13.122 -0.764 1.00 0.00 C ATOM 1530 NE1 TRP B 42 -8.036 -13.650 1.228 1.00 0.00 N ATOM 1531 CE2 TRP B 42 -8.391 -13.036 0.044 1.00 0.00 C ATOM 1532 CE3 TRP B 42 -7.268 -12.524 -2.042 1.00 0.00 C ATOM 1533 CZ2 TRP B 42 -9.557 -12.393 -0.400 1.00 0.00 C ATOM 1534 CZ3 TRP B 42 -8.423 -11.855 -2.489 1.00 0.00 C ATOM 1535 CH2 TRP B 42 -9.569 -11.796 -1.674 1.00 0.00 C ATOM 0 H TRP B 42 -3.509 -13.044 1.269 1.00 0.00 H new ATOM 0 HA TRP B 42 -4.587 -15.616 1.117 1.00 0.00 H new ATOM 0 HB2 TRP B 42 -4.271 -13.224 -0.678 1.00 0.00 H new ATOM 0 HB3 TRP B 42 -4.858 -14.720 -1.378 1.00 0.00 H new ATOM 0 HD1 TRP B 42 -6.212 -14.567 2.024 1.00 0.00 H new ATOM 0 HE1 TRP B 42 -8.664 -13.768 2.023 1.00 0.00 H new ATOM 0 HE3 TRP B 42 -6.405 -12.581 -2.689 1.00 0.00 H new ATOM 0 HZ2 TRP B 42 -10.434 -12.357 0.229 1.00 0.00 H new ATOM 0 HZ3 TRP B 42 -8.430 -11.385 -3.461 1.00 0.00 H new ATOM 0 HH2 TRP B 42 -10.457 -11.293 -2.026 1.00 0.00 H new ATOM 1546 N LEU B 43 -1.821 -15.413 -0.667 1.00 0.00 N ATOM 1547 CA LEU B 43 -0.787 -16.255 -1.293 1.00 0.00 C ATOM 1548 C LEU B 43 0.265 -16.839 -0.326 1.00 0.00 C ATOM 1549 O LEU B 43 1.202 -17.498 -0.775 1.00 0.00 O ATOM 1550 CB LEU B 43 -0.205 -15.566 -2.533 1.00 0.00 C ATOM 1551 CG LEU B 43 0.562 -14.271 -2.241 1.00 0.00 C ATOM 1552 CD1 LEU B 43 2.073 -14.500 -2.279 1.00 0.00 C ATOM 1553 CD2 LEU B 43 0.198 -13.203 -3.277 1.00 0.00 C ATOM 0 H LEU B 43 -1.601 -14.417 -0.677 1.00 0.00 H new ATOM 0 HA LEU B 43 -1.292 -17.159 -1.634 1.00 0.00 H new ATOM 0 HB2 LEU B 43 0.463 -16.262 -3.040 1.00 0.00 H new ATOM 0 HB3 LEU B 43 -1.018 -15.344 -3.224 1.00 0.00 H new ATOM 0 HG LEU B 43 0.281 -13.938 -1.242 1.00 0.00 H new ATOM 0 HD11 LEU B 43 2.588 -13.563 -2.068 1.00 0.00 H new ATOM 0 HD12 LEU B 43 2.348 -15.242 -1.529 1.00 0.00 H new ATOM 0 HD13 LEU B 43 2.362 -14.859 -3.267 1.00 0.00 H new ATOM 0 HD21 LEU B 43 0.747 -12.286 -3.063 1.00 0.00 H new ATOM 0 HD22 LEU B 43 0.460 -13.558 -4.273 1.00 0.00 H new ATOM 0 HD23 LEU B 43 -0.873 -13.003 -3.233 1.00 0.00 H new ATOM 1565 N GLU B 44 0.096 -16.669 0.992 1.00 0.00 N ATOM 1566 CA GLU B 44 0.982 -17.252 2.018 1.00 0.00 C ATOM 1567 C GLU B 44 0.256 -18.253 2.940 1.00 0.00 C ATOM 1568 O GLU B 44 0.854 -19.246 3.358 1.00 0.00 O ATOM 1569 CB GLU B 44 1.655 -16.128 2.826 1.00 0.00 C ATOM 1570 CG GLU B 44 2.893 -16.626 3.589 1.00 0.00 C ATOM 1571 CD GLU B 44 3.467 -15.529 4.512 1.00 0.00 C ATOM 1572 OE1 GLU B 44 4.281 -14.701 4.045 1.00 0.00 O ATOM 1573 OE2 GLU B 44 3.121 -15.512 5.717 1.00 0.00 O ATOM 0 H GLU B 44 -0.667 -16.117 1.384 1.00 0.00 H new ATOM 0 HA GLU B 44 1.749 -17.828 1.501 1.00 0.00 H new ATOM 0 HB2 GLU B 44 1.945 -15.322 2.152 1.00 0.00 H new ATOM 0 HB3 GLU B 44 0.938 -15.711 3.533 1.00 0.00 H new ATOM 0 HG2 GLU B 44 2.628 -17.501 4.183 1.00 0.00 H new ATOM 0 HG3 GLU B 44 3.657 -16.942 2.879 1.00 0.00 H new ATOM 1580 N THR B 45 -1.046 -18.066 3.194 1.00 0.00 N ATOM 1581 CA THR B 45 -1.880 -18.958 4.030 1.00 0.00 C ATOM 1582 C THR B 45 -1.892 -20.409 3.516 1.00 0.00 C ATOM 1583 O THR B 45 -1.960 -21.353 4.306 1.00 0.00 O ATOM 1584 CB THR B 45 -3.312 -18.388 4.139 1.00 0.00 C ATOM 1585 OG1 THR B 45 -3.274 -17.122 4.764 1.00 0.00 O ATOM 1586 CG2 THR B 45 -4.264 -19.233 4.987 1.00 0.00 C ATOM 0 H THR B 45 -1.566 -17.273 2.818 1.00 0.00 H new ATOM 0 HA THR B 45 -1.435 -18.993 5.024 1.00 0.00 H new ATOM 0 HB THR B 45 -3.679 -18.360 3.113 1.00 0.00 H new ATOM 0 HG1 THR B 45 -2.920 -16.458 4.136 1.00 0.00 H new ATOM 0 HG21 THR B 45 -5.246 -18.761 5.011 1.00 0.00 H new ATOM 0 HG22 THR B 45 -4.350 -20.229 4.554 1.00 0.00 H new ATOM 0 HG23 THR B 45 -3.875 -19.311 6.002 1.00 0.00 H new ATOM 1594 N ILE B 46 -1.756 -20.600 2.199 1.00 0.00 N ATOM 1595 CA ILE B 46 -1.667 -21.912 1.532 1.00 0.00 C ATOM 1596 C ILE B 46 -0.366 -22.668 1.861 1.00 0.00 C ATOM 1597 O ILE B 46 -0.365 -23.898 1.947 1.00 0.00 O ATOM 1598 CB ILE B 46 -1.780 -21.711 -0.002 1.00 0.00 C ATOM 1599 CG1 ILE B 46 -3.036 -20.914 -0.423 1.00 0.00 C ATOM 1600 CG2 ILE B 46 -1.745 -23.045 -0.769 1.00 0.00 C ATOM 1601 CD1 ILE B 46 -4.362 -21.473 0.123 1.00 0.00 C ATOM 0 H ILE B 46 -1.703 -19.821 1.542 1.00 0.00 H new ATOM 0 HA ILE B 46 -2.489 -22.523 1.905 1.00 0.00 H new ATOM 0 HB ILE B 46 -0.902 -21.122 -0.269 1.00 0.00 H new ATOM 0 HG12 ILE B 46 -2.926 -19.883 -0.087 1.00 0.00 H new ATOM 0 HG13 ILE B 46 -3.087 -20.891 -1.512 1.00 0.00 H new ATOM 0 HG21 ILE B 46 -1.827 -22.852 -1.839 1.00 0.00 H new ATOM 0 HG22 ILE B 46 -0.805 -23.558 -0.564 1.00 0.00 H new ATOM 0 HG23 ILE B 46 -2.578 -23.671 -0.448 1.00 0.00 H new ATOM 0 HD11 ILE B 46 -5.188 -20.852 -0.222 1.00 0.00 H new ATOM 0 HD12 ILE B 46 -4.501 -22.493 -0.234 1.00 0.00 H new ATOM 0 HD13 ILE B 46 -4.337 -21.470 1.213 1.00 0.00 H new ATOM 1613 N LEU B 47 0.749 -21.948 2.020 1.00 0.00 N ATOM 1614 CA LEU B 47 2.106 -22.513 1.985 1.00 0.00 C ATOM 1615 C LEU B 47 2.486 -23.307 3.250 1.00 0.00 C ATOM 1616 O LEU B 47 3.372 -24.164 3.195 1.00 0.00 O ATOM 1617 CB LEU B 47 3.120 -21.373 1.766 1.00 0.00 C ATOM 1618 CG LEU B 47 2.873 -20.485 0.530 1.00 0.00 C ATOM 1619 CD1 LEU B 47 3.939 -19.392 0.490 1.00 0.00 C ATOM 1620 CD2 LEU B 47 2.915 -21.269 -0.784 1.00 0.00 C ATOM 0 H LEU B 47 0.736 -20.941 2.179 1.00 0.00 H new ATOM 0 HA LEU B 47 2.128 -23.227 1.161 1.00 0.00 H new ATOM 0 HB2 LEU B 47 3.121 -20.738 2.652 1.00 0.00 H new ATOM 0 HB3 LEU B 47 4.116 -21.808 1.684 1.00 0.00 H new ATOM 0 HG LEU B 47 1.872 -20.064 0.624 1.00 0.00 H new ATOM 0 HD11 LEU B 47 3.776 -18.756 -0.380 1.00 0.00 H new ATOM 0 HD12 LEU B 47 3.877 -18.790 1.396 1.00 0.00 H new ATOM 0 HD13 LEU B 47 4.926 -19.849 0.425 1.00 0.00 H new ATOM 0 HD21 LEU B 47 2.734 -20.591 -1.618 1.00 0.00 H new ATOM 0 HD22 LEU B 47 3.894 -21.734 -0.899 1.00 0.00 H new ATOM 0 HD23 LEU B 47 2.146 -22.042 -0.771 1.00 0.00 H new ATOM 1632 N GLY B 48 1.834 -23.020 4.380 1.00 0.00 N ATOM 1633 CA GLY B 48 2.079 -23.664 5.679 1.00 0.00 C ATOM 1634 C GLY B 48 1.776 -22.779 6.900 1.00 0.00 C ATOM 1635 O GLY B 48 1.674 -23.276 8.021 1.00 0.00 O ATOM 0 H GLY B 48 1.100 -22.313 4.420 1.00 0.00 H new ATOM 0 HA2 GLY B 48 1.472 -24.567 5.742 1.00 0.00 H new ATOM 0 HA3 GLY B 48 3.122 -23.977 5.724 1.00 0.00 H new HETATM 1639 N NH2 B 49 1.613 -21.471 6.723 1.00 0.00 N TER 1642 NH2 B 49 HETATM 1643 ZN ZN A 50 -3.397 -4.622 -7.648 1.00 0.00 ZN HETATM 1644 ZN ZN B 50 -1.957 -7.542 -5.375 1.00 0.00 ZN