USER MOD reduce.3.24.130724 H: found=0, std=0, add=819, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 822 hydrogens (10 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 39 HIS HD1 : A 39 HIS ND1 : A 50 ZNZN :(H bumps) USER MOD Single : A 2 TYR OH : rot 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) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 TYR OH : rot -172:sc= 0.0836 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot -79:sc= 0.0682 USER MOD Single : A 25 HIS : no HD1:sc= 0.0676 K(o=0.068,f=-0.47) USER MOD Single : A 26 ASN : amide:sc=-0.00123 K(o=-0.0012,f=-1.3) USER MOD Single : A 31 LYS NZ :NH3+ 149:sc= -0.0644 (180deg=-1.18) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot 79:sc= 0.0317 USER MOD Single : B 2 TYR OH : rot 180:sc= 0 USER MOD Single : B 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 12 GLN : amide:sc= -0.0133 X(o=-0.013,f=-0.43) USER MOD Single : B 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 16 GLN : amide:sc= 0.264 X(o=0.26,f=-0.018) USER MOD Single : B 17 TYR OH : rot -162:sc= 1.06 USER MOD Single : B 23 TYR OH : rot 180:sc= 0 USER MOD Single : B 24 THR OG1 : rot -76:sc= 0.43 USER MOD Single : B 25 HIS : no HD1:sc= 0 X(o=0,f=-0.021) USER MOD Single : B 26 ASN : amide:sc= 0.995 K(o=0.99,f=0) USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 38 LYS NZ :NH3+ 177:sc= 0.646 (180deg=0.64) USER MOD Single : B 39 HIS : +bothHN:sc= 0.162 K(o=0.16,f=-5.6!) USER MOD Single : B 45 THR OG1 : rot 76:sc= 0.228 USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 0 3.277 13.661 -13.789 1.00 0.00 C HETATM 2 O ACE A 0 3.742 13.335 -14.879 1.00 0.00 O HETATM 3 CH3 ACE A 0 2.464 14.928 -13.650 1.00 0.00 C HETATM 0 H1 ACE A 0 1.463 14.681 -13.296 1.00 0.00 H new HETATM 0 H2 ACE A 0 2.948 15.594 -12.936 1.00 0.00 H new HETATM 0 H3 ACE A 0 2.394 15.424 -14.618 1.00 0.00 H new ATOM 7 N ASP A 1 3.437 12.949 -12.675 1.00 0.00 N ATOM 8 CA ASP A 1 4.273 11.735 -12.560 1.00 0.00 C ATOM 9 C ASP A 1 3.619 10.605 -11.739 1.00 0.00 C ATOM 10 O ASP A 1 3.938 9.428 -11.912 1.00 0.00 O ATOM 11 CB ASP A 1 5.596 12.144 -11.904 1.00 0.00 C ATOM 12 CG ASP A 1 6.667 11.042 -11.984 1.00 0.00 C ATOM 13 OD1 ASP A 1 7.116 10.715 -13.108 1.00 0.00 O ATOM 14 OD2 ASP A 1 7.093 10.535 -10.919 1.00 0.00 O ATOM 0 H ASP A 1 2.980 13.200 -11.798 1.00 0.00 H new ATOM 0 HA ASP A 1 4.416 11.331 -13.562 1.00 0.00 H new ATOM 0 HB2 ASP A 1 5.972 13.046 -12.387 1.00 0.00 H new ATOM 0 HB3 ASP A 1 5.416 12.394 -10.858 1.00 0.00 H new ATOM 19 N TYR A 2 2.677 10.972 -10.866 1.00 0.00 N ATOM 20 CA TYR A 2 1.995 10.089 -9.910 1.00 0.00 C ATOM 21 C TYR A 2 1.401 8.811 -10.511 1.00 0.00 C ATOM 22 O TYR A 2 1.416 7.772 -9.863 1.00 0.00 O ATOM 23 CB TYR A 2 0.904 10.877 -9.168 1.00 0.00 C ATOM 24 CG TYR A 2 -0.361 11.207 -9.950 1.00 0.00 C ATOM 25 CD1 TYR A 2 -0.374 12.276 -10.869 1.00 0.00 C ATOM 26 CD2 TYR A 2 -1.541 10.469 -9.723 1.00 0.00 C ATOM 27 CE1 TYR A 2 -1.556 12.603 -11.561 1.00 0.00 C ATOM 28 CE2 TYR A 2 -2.731 10.803 -10.400 1.00 0.00 C ATOM 29 CZ TYR A 2 -2.741 11.872 -11.324 1.00 0.00 C ATOM 30 OH TYR A 2 -3.884 12.211 -11.980 1.00 0.00 O ATOM 0 H TYR A 2 2.353 11.937 -10.802 1.00 0.00 H new ATOM 0 HA TYR A 2 2.770 9.747 -9.224 1.00 0.00 H new ATOM 0 HB2 TYR A 2 0.617 10.308 -8.283 1.00 0.00 H new ATOM 0 HB3 TYR A 2 1.340 11.813 -8.818 1.00 0.00 H new ATOM 0 HD1 TYR A 2 0.526 12.847 -11.043 1.00 0.00 H new ATOM 0 HD2 TYR A 2 -1.533 9.643 -9.027 1.00 0.00 H new ATOM 0 HE1 TYR A 2 -1.556 13.414 -12.274 1.00 0.00 H new ATOM 0 HE2 TYR A 2 -3.635 10.242 -10.213 1.00 0.00 H new ATOM 0 HH TYR A 2 -4.609 11.610 -11.706 1.00 0.00 H new ATOM 40 N LEU A 3 0.914 8.869 -11.750 1.00 0.00 N ATOM 41 CA LEU A 3 0.283 7.741 -12.453 1.00 0.00 C ATOM 42 C LEU A 3 1.230 6.556 -12.645 1.00 0.00 C ATOM 43 O LEU A 3 0.856 5.421 -12.345 1.00 0.00 O ATOM 44 CB LEU A 3 -0.269 8.192 -13.814 1.00 0.00 C ATOM 45 CG LEU A 3 -1.413 9.203 -13.687 1.00 0.00 C ATOM 46 CD1 LEU A 3 -1.850 9.689 -15.069 1.00 0.00 C ATOM 47 CD2 LEU A 3 -2.640 8.616 -12.991 1.00 0.00 C ATOM 0 H LEU A 3 0.946 9.720 -12.311 1.00 0.00 H new ATOM 0 HA LEU A 3 -0.536 7.402 -11.819 1.00 0.00 H new ATOM 0 HB2 LEU A 3 0.537 8.635 -14.399 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -0.621 7.320 -14.365 1.00 0.00 H new ATOM 0 HG LEU A 3 -1.026 10.025 -13.085 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -2.663 10.407 -14.962 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -1.008 10.167 -15.570 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -2.191 8.840 -15.662 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -3.420 9.375 -12.928 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -3.009 7.763 -13.561 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -2.368 8.291 -11.987 1.00 0.00 H new ATOM 59 N ARG A 4 2.472 6.816 -13.074 1.00 0.00 N ATOM 60 CA ARG A 4 3.529 5.792 -13.156 1.00 0.00 C ATOM 61 C ARG A 4 3.789 5.171 -11.786 1.00 0.00 C ATOM 62 O ARG A 4 3.947 3.957 -11.669 1.00 0.00 O ATOM 63 CB ARG A 4 4.823 6.413 -13.714 1.00 0.00 C ATOM 64 CG ARG A 4 5.854 5.340 -14.117 1.00 0.00 C ATOM 65 CD ARG A 4 7.301 5.839 -14.014 1.00 0.00 C ATOM 66 NE ARG A 4 7.749 5.940 -12.605 1.00 0.00 N ATOM 67 CZ ARG A 4 8.987 6.102 -12.180 1.00 0.00 C ATOM 68 NH1 ARG A 4 9.995 6.227 -12.997 1.00 0.00 N ATOM 69 NH2 ARG A 4 9.239 6.131 -10.907 1.00 0.00 N ATOM 0 H ARG A 4 2.775 7.742 -13.375 1.00 0.00 H new ATOM 0 HA ARG A 4 3.194 5.003 -13.830 1.00 0.00 H new ATOM 0 HB2 ARG A 4 4.584 7.029 -14.581 1.00 0.00 H new ATOM 0 HB3 ARG A 4 5.261 7.072 -12.965 1.00 0.00 H new ATOM 0 HG2 ARG A 4 5.730 4.465 -13.479 1.00 0.00 H new ATOM 0 HG3 ARG A 4 5.657 5.019 -15.140 1.00 0.00 H new ATOM 0 HD2 ARG A 4 7.959 5.161 -14.557 1.00 0.00 H new ATOM 0 HD3 ARG A 4 7.384 6.815 -14.493 1.00 0.00 H new ATOM 0 HE ARG A 4 7.025 5.878 -11.890 1.00 0.00 H new ATOM 0 HH11 ARG A 4 9.841 6.201 -14.005 1.00 0.00 H new ATOM 0 HH12 ARG A 4 10.938 6.351 -12.628 1.00 0.00 H new ATOM 0 HH21 ARG A 4 8.479 6.028 -10.234 1.00 0.00 H new ATOM 0 HH22 ARG A 4 10.197 6.256 -10.579 1.00 0.00 H new ATOM 83 N GLU A 5 3.800 5.999 -10.744 1.00 0.00 N ATOM 84 CA GLU A 5 4.079 5.584 -9.372 1.00 0.00 C ATOM 85 C GLU A 5 2.883 4.872 -8.699 1.00 0.00 C ATOM 86 O GLU A 5 3.066 4.132 -7.733 1.00 0.00 O ATOM 87 CB GLU A 5 4.503 6.851 -8.611 1.00 0.00 C ATOM 88 CG GLU A 5 5.488 6.580 -7.468 1.00 0.00 C ATOM 89 CD GLU A 5 6.940 6.445 -7.966 1.00 0.00 C ATOM 90 OE1 GLU A 5 7.179 5.872 -9.059 1.00 0.00 O ATOM 91 OE2 GLU A 5 7.863 6.900 -7.249 1.00 0.00 O ATOM 0 H GLU A 5 3.611 6.998 -10.832 1.00 0.00 H new ATOM 0 HA GLU A 5 4.873 4.837 -9.361 1.00 0.00 H new ATOM 0 HB2 GLU A 5 4.957 7.551 -9.312 1.00 0.00 H new ATOM 0 HB3 GLU A 5 3.615 7.336 -8.207 1.00 0.00 H new ATOM 0 HG2 GLU A 5 5.429 7.390 -6.741 1.00 0.00 H new ATOM 0 HG3 GLU A 5 5.197 5.666 -6.950 1.00 0.00 H new ATOM 98 N LEU A 6 1.662 5.075 -9.206 1.00 0.00 N ATOM 99 CA LEU A 6 0.435 4.353 -8.846 1.00 0.00 C ATOM 100 C LEU A 6 0.397 2.969 -9.495 1.00 0.00 C ATOM 101 O LEU A 6 0.222 1.960 -8.813 1.00 0.00 O ATOM 102 CB LEU A 6 -0.792 5.165 -9.324 1.00 0.00 C ATOM 103 CG LEU A 6 -1.648 5.661 -8.160 1.00 0.00 C ATOM 104 CD1 LEU A 6 -0.903 6.721 -7.346 1.00 0.00 C ATOM 105 CD2 LEU A 6 -2.955 6.259 -8.679 1.00 0.00 C ATOM 0 H LEU A 6 1.493 5.786 -9.917 1.00 0.00 H new ATOM 0 HA LEU A 6 0.416 4.230 -7.763 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -0.454 6.018 -9.913 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -1.401 4.545 -9.982 1.00 0.00 H new ATOM 0 HG LEU A 6 -1.864 4.806 -7.519 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -1.534 7.058 -6.523 1.00 0.00 H new ATOM 0 HD12 LEU A 6 0.017 6.293 -6.947 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -0.660 7.568 -7.987 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -3.555 6.608 -7.838 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -2.734 7.097 -9.340 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -3.510 5.499 -9.229 1.00 0.00 H new ATOM 117 N LEU A 7 0.586 2.947 -10.818 1.00 0.00 N ATOM 118 CA LEU A 7 0.708 1.741 -11.633 1.00 0.00 C ATOM 119 C LEU A 7 1.781 0.811 -11.064 1.00 0.00 C ATOM 120 O LEU A 7 1.461 -0.341 -10.770 1.00 0.00 O ATOM 121 CB LEU A 7 1.034 2.126 -13.091 1.00 0.00 C ATOM 122 CG LEU A 7 -0.165 2.685 -13.878 1.00 0.00 C ATOM 123 CD1 LEU A 7 0.322 3.364 -15.159 1.00 0.00 C ATOM 124 CD2 LEU A 7 -1.129 1.566 -14.275 1.00 0.00 C ATOM 0 H LEU A 7 0.661 3.802 -11.368 1.00 0.00 H new ATOM 0 HA LEU A 7 -0.242 1.206 -11.616 1.00 0.00 H new ATOM 0 HB2 LEU A 7 1.832 2.869 -13.089 1.00 0.00 H new ATOM 0 HB3 LEU A 7 1.418 1.248 -13.610 1.00 0.00 H new ATOM 0 HG LEU A 7 -0.678 3.400 -13.235 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -0.532 3.757 -15.710 1.00 0.00 H new ATOM 0 HD12 LEU A 7 0.996 4.182 -14.904 1.00 0.00 H new ATOM 0 HD13 LEU A 7 0.850 2.638 -15.777 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -1.967 1.988 -14.830 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.608 0.841 -14.900 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -1.500 1.070 -13.378 1.00 0.00 H new ATOM 136 N LYS A 8 3.003 1.350 -10.874 1.00 0.00 N ATOM 137 CA LYS A 8 4.270 0.771 -10.365 1.00 0.00 C ATOM 138 C LYS A 8 4.743 -0.548 -11.004 1.00 0.00 C ATOM 139 O LYS A 8 5.924 -0.706 -11.309 1.00 0.00 O ATOM 140 CB LYS A 8 4.193 0.675 -8.822 1.00 0.00 C ATOM 141 CG LYS A 8 5.467 1.106 -8.070 1.00 0.00 C ATOM 142 CD LYS A 8 6.722 0.280 -8.392 1.00 0.00 C ATOM 143 CE LYS A 8 7.871 0.674 -7.462 1.00 0.00 C ATOM 144 NZ LYS A 8 9.109 -0.096 -7.766 1.00 0.00 N ATOM 0 H LYS A 8 3.145 2.333 -11.104 1.00 0.00 H new ATOM 0 HA LYS A 8 5.052 1.463 -10.678 1.00 0.00 H new ATOM 0 HB2 LYS A 8 3.362 1.290 -8.477 1.00 0.00 H new ATOM 0 HB3 LYS A 8 3.961 -0.355 -8.550 1.00 0.00 H new ATOM 0 HG2 LYS A 8 5.670 2.152 -8.300 1.00 0.00 H new ATOM 0 HG3 LYS A 8 5.276 1.046 -6.999 1.00 0.00 H new ATOM 0 HD2 LYS A 8 6.504 -0.782 -8.282 1.00 0.00 H new ATOM 0 HD3 LYS A 8 7.014 0.440 -9.430 1.00 0.00 H new ATOM 0 HE2 LYS A 8 8.071 1.741 -7.562 1.00 0.00 H new ATOM 0 HE3 LYS A 8 7.578 0.500 -6.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 9.868 0.196 -7.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 8.924 -1.112 -7.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 9.402 0.090 -8.747 1.00 0.00 H new ATOM 158 N GLY A 9 3.833 -1.490 -11.209 1.00 0.00 N ATOM 159 CA GLY A 9 4.094 -2.864 -11.584 1.00 0.00 C ATOM 160 C GLY A 9 2.911 -3.817 -11.513 1.00 0.00 C ATOM 161 O GLY A 9 3.115 -5.020 -11.641 1.00 0.00 O ATOM 0 H GLY A 9 2.836 -1.300 -11.111 1.00 0.00 H new ATOM 0 HA2 GLY A 9 4.480 -2.873 -12.603 1.00 0.00 H new ATOM 0 HA3 GLY A 9 4.884 -3.250 -10.940 1.00 0.00 H new ATOM 165 N GLU A 10 1.684 -3.328 -11.309 1.00 0.00 N ATOM 166 CA GLU A 10 0.505 -4.221 -11.235 1.00 0.00 C ATOM 167 C GLU A 10 0.365 -5.183 -12.436 1.00 0.00 C ATOM 168 O GLU A 10 0.028 -6.352 -12.245 1.00 0.00 O ATOM 169 CB GLU A 10 -0.808 -3.438 -11.012 1.00 0.00 C ATOM 170 CG GLU A 10 -1.090 -3.159 -9.522 1.00 0.00 C ATOM 171 CD GLU A 10 -2.567 -3.280 -9.127 1.00 0.00 C ATOM 172 OE1 GLU A 10 -3.248 -4.263 -9.457 1.00 0.00 O ATOM 173 OE2 GLU A 10 -3.036 -2.988 -8.012 1.00 0.00 O ATOM 0 H GLU A 10 1.474 -2.337 -11.193 1.00 0.00 H new ATOM 0 HA GLU A 10 0.690 -4.845 -10.361 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -0.758 -2.492 -11.551 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -1.639 -4.002 -11.435 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -0.506 -3.853 -8.917 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -0.742 -2.155 -9.280 1.00 0.00 H new ATOM 180 N LEU A 11 0.701 -4.754 -13.662 1.00 0.00 N ATOM 181 CA LEU A 11 0.628 -5.592 -14.868 1.00 0.00 C ATOM 182 C LEU A 11 1.669 -6.726 -14.811 1.00 0.00 C ATOM 183 O LEU A 11 1.407 -7.867 -15.195 1.00 0.00 O ATOM 184 CB LEU A 11 0.774 -4.635 -16.079 1.00 0.00 C ATOM 185 CG LEU A 11 1.506 -5.189 -17.302 1.00 0.00 C ATOM 186 CD1 LEU A 11 0.719 -6.279 -18.038 1.00 0.00 C ATOM 187 CD2 LEU A 11 1.797 -4.076 -18.311 1.00 0.00 C ATOM 0 H LEU A 11 1.034 -3.807 -13.846 1.00 0.00 H new ATOM 0 HA LEU A 11 -0.324 -6.116 -14.956 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -0.223 -4.324 -16.390 1.00 0.00 H new ATOM 0 HB3 LEU A 11 1.298 -3.739 -15.745 1.00 0.00 H new ATOM 0 HG LEU A 11 2.426 -5.623 -16.912 1.00 0.00 H new ATOM 0 HD11 LEU A 11 1.295 -6.628 -18.895 1.00 0.00 H new ATOM 0 HD12 LEU A 11 0.533 -7.113 -17.362 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -0.232 -5.872 -18.382 1.00 0.00 H new ATOM 0 HD21 LEU A 11 2.318 -4.493 -19.173 1.00 0.00 H new ATOM 0 HD22 LEU A 11 0.859 -3.626 -18.637 1.00 0.00 H new ATOM 0 HD23 LEU A 11 2.421 -3.315 -17.843 1.00 0.00 H new ATOM 199 N GLN A 12 2.829 -6.411 -14.244 1.00 0.00 N ATOM 200 CA GLN A 12 3.948 -7.308 -13.999 1.00 0.00 C ATOM 201 C GLN A 12 3.617 -8.391 -12.948 1.00 0.00 C ATOM 202 O GLN A 12 4.336 -9.384 -12.839 1.00 0.00 O ATOM 203 CB GLN A 12 5.176 -6.455 -13.618 1.00 0.00 C ATOM 204 CG GLN A 12 6.480 -7.097 -14.120 1.00 0.00 C ATOM 205 CD GLN A 12 7.693 -6.183 -13.942 1.00 0.00 C ATOM 206 OE1 GLN A 12 7.973 -5.664 -12.867 1.00 0.00 O ATOM 207 NE2 GLN A 12 8.463 -5.940 -14.984 1.00 0.00 N ATOM 0 H GLN A 12 3.023 -5.462 -13.924 1.00 0.00 H new ATOM 0 HA GLN A 12 4.172 -7.868 -14.907 1.00 0.00 H new ATOM 0 HB2 GLN A 12 5.073 -5.456 -14.042 1.00 0.00 H new ATOM 0 HB3 GLN A 12 5.219 -6.339 -12.535 1.00 0.00 H new ATOM 0 HG2 GLN A 12 6.651 -8.030 -13.583 1.00 0.00 H new ATOM 0 HG3 GLN A 12 6.373 -7.351 -15.175 1.00 0.00 H new ATOM 0 HE21 GLN A 12 8.247 -6.362 -15.887 1.00 0.00 H new ATOM 0 HE22 GLN A 12 9.275 -5.330 -14.887 1.00 0.00 H new ATOM 216 N GLY A 13 2.499 -8.236 -12.226 1.00 0.00 N ATOM 217 CA GLY A 13 1.916 -9.243 -11.342 1.00 0.00 C ATOM 218 C GLY A 13 0.829 -10.069 -12.036 1.00 0.00 C ATOM 219 O GLY A 13 0.846 -11.294 -11.907 1.00 0.00 O ATOM 0 H GLY A 13 1.959 -7.371 -12.245 1.00 0.00 H new ATOM 0 HA2 GLY A 13 2.702 -9.908 -10.985 1.00 0.00 H new ATOM 0 HA3 GLY A 13 1.492 -8.752 -10.466 1.00 0.00 H new ATOM 223 N ILE A 14 -0.061 -9.445 -12.832 1.00 0.00 N ATOM 224 CA ILE A 14 -1.171 -10.153 -13.520 1.00 0.00 C ATOM 225 C ILE A 14 -0.653 -11.369 -14.297 1.00 0.00 C ATOM 226 O ILE A 14 -1.140 -12.491 -14.127 1.00 0.00 O ATOM 227 CB ILE A 14 -1.963 -9.233 -14.487 1.00 0.00 C ATOM 228 CG1 ILE A 14 -2.669 -8.078 -13.754 1.00 0.00 C ATOM 229 CG2 ILE A 14 -3.024 -10.032 -15.280 1.00 0.00 C ATOM 230 CD1 ILE A 14 -3.229 -7.011 -14.701 1.00 0.00 C ATOM 0 H ILE A 14 -0.036 -8.443 -13.019 1.00 0.00 H new ATOM 0 HA ILE A 14 -1.850 -10.479 -12.732 1.00 0.00 H new ATOM 0 HB ILE A 14 -1.224 -8.815 -15.170 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -3.483 -8.482 -13.152 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -1.965 -7.610 -13.066 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -3.562 -9.359 -15.948 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -2.532 -10.809 -15.866 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -3.727 -10.492 -14.586 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -3.713 -6.226 -14.120 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -2.416 -6.580 -15.285 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -3.957 -7.466 -15.373 1.00 0.00 H new ATOM 242 N LYS A 15 0.355 -11.142 -15.146 1.00 0.00 N ATOM 243 CA LYS A 15 0.873 -12.154 -16.071 1.00 0.00 C ATOM 244 C LYS A 15 1.656 -13.272 -15.368 1.00 0.00 C ATOM 245 O LYS A 15 1.719 -14.391 -15.875 1.00 0.00 O ATOM 246 CB LYS A 15 1.678 -11.448 -17.178 1.00 0.00 C ATOM 247 CG LYS A 15 1.833 -12.321 -18.433 1.00 0.00 C ATOM 248 CD LYS A 15 2.441 -11.518 -19.595 1.00 0.00 C ATOM 249 CE LYS A 15 2.476 -12.316 -20.906 1.00 0.00 C ATOM 250 NZ LYS A 15 3.438 -13.450 -20.863 1.00 0.00 N ATOM 0 H LYS A 15 0.837 -10.245 -15.211 1.00 0.00 H new ATOM 0 HA LYS A 15 0.032 -12.675 -16.529 1.00 0.00 H new ATOM 0 HB2 LYS A 15 1.182 -10.515 -17.446 1.00 0.00 H new ATOM 0 HB3 LYS A 15 2.665 -11.186 -16.796 1.00 0.00 H new ATOM 0 HG2 LYS A 15 2.468 -13.178 -18.208 1.00 0.00 H new ATOM 0 HG3 LYS A 15 0.860 -12.714 -18.728 1.00 0.00 H new ATOM 0 HD2 LYS A 15 1.863 -10.606 -19.744 1.00 0.00 H new ATOM 0 HD3 LYS A 15 3.454 -11.214 -19.331 1.00 0.00 H new ATOM 0 HE2 LYS A 15 1.478 -12.699 -21.120 1.00 0.00 H new ATOM 0 HE3 LYS A 15 2.744 -11.649 -21.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 3.421 -13.954 -21.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 4.396 -13.086 -20.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 3.170 -14.104 -20.100 1.00 0.00 H new ATOM 264 N GLN A 16 2.201 -12.996 -14.180 1.00 0.00 N ATOM 265 CA GLN A 16 2.917 -13.961 -13.353 1.00 0.00 C ATOM 266 C GLN A 16 1.984 -14.852 -12.530 1.00 0.00 C ATOM 267 O GLN A 16 2.217 -16.053 -12.409 1.00 0.00 O ATOM 268 CB GLN A 16 3.882 -13.202 -12.442 1.00 0.00 C ATOM 269 CG GLN A 16 5.105 -12.710 -13.230 1.00 0.00 C ATOM 270 CD GLN A 16 6.313 -12.455 -12.330 1.00 0.00 C ATOM 271 OE1 GLN A 16 6.265 -11.773 -11.315 1.00 0.00 O ATOM 272 NE2 GLN A 16 7.448 -13.030 -12.659 1.00 0.00 N ATOM 0 H GLN A 16 2.153 -12.068 -13.759 1.00 0.00 H new ATOM 0 HA GLN A 16 3.465 -14.633 -14.014 1.00 0.00 H new ATOM 0 HB2 GLN A 16 3.370 -12.353 -11.990 1.00 0.00 H new ATOM 0 HB3 GLN A 16 4.206 -13.850 -11.627 1.00 0.00 H new ATOM 0 HG2 GLN A 16 5.368 -13.450 -13.986 1.00 0.00 H new ATOM 0 HG3 GLN A 16 4.848 -11.792 -13.758 1.00 0.00 H new ATOM 0 HE21 GLN A 16 7.505 -13.602 -13.502 1.00 0.00 H new ATOM 0 HE22 GLN A 16 8.272 -12.905 -12.071 1.00 0.00 H new ATOM 281 N TYR A 17 0.887 -14.294 -12.022 1.00 0.00 N ATOM 282 CA TYR A 17 -0.140 -15.046 -11.304 1.00 0.00 C ATOM 283 C TYR A 17 -0.776 -16.160 -12.138 1.00 0.00 C ATOM 284 O TYR A 17 -1.032 -17.249 -11.619 1.00 0.00 O ATOM 285 CB TYR A 17 -1.240 -14.087 -10.846 1.00 0.00 C ATOM 286 CG TYR A 17 -0.951 -13.322 -9.570 1.00 0.00 C ATOM 287 CD1 TYR A 17 -0.610 -14.024 -8.397 1.00 0.00 C ATOM 288 CD2 TYR A 17 -1.092 -11.921 -9.536 1.00 0.00 C ATOM 289 CE1 TYR A 17 -0.389 -13.323 -7.199 1.00 0.00 C ATOM 290 CE2 TYR A 17 -0.876 -11.219 -8.335 1.00 0.00 C ATOM 291 CZ TYR A 17 -0.529 -11.921 -7.162 1.00 0.00 C ATOM 292 OH TYR A 17 -0.434 -11.268 -5.975 1.00 0.00 O ATOM 0 H TYR A 17 0.684 -13.297 -12.098 1.00 0.00 H new ATOM 0 HA TYR A 17 0.356 -15.521 -10.458 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -1.427 -13.369 -11.645 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -2.159 -14.656 -10.707 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -0.518 -15.100 -8.418 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -1.366 -11.385 -10.432 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -0.111 -13.860 -6.304 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -0.976 -10.144 -8.312 1.00 0.00 H new ATOM 0 HH TYR A 17 -0.682 -10.328 -6.098 1.00 0.00 H new ATOM 302 N ARG A 18 -0.999 -15.912 -13.435 1.00 0.00 N ATOM 303 CA ARG A 18 -1.594 -16.902 -14.351 1.00 0.00 C ATOM 304 C ARG A 18 -0.699 -18.140 -14.526 1.00 0.00 C ATOM 305 O ARG A 18 -1.186 -19.231 -14.817 1.00 0.00 O ATOM 306 CB ARG A 18 -1.941 -16.240 -15.697 1.00 0.00 C ATOM 307 CG ARG A 18 -3.374 -16.524 -16.182 1.00 0.00 C ATOM 308 CD ARG A 18 -3.648 -18.011 -16.444 1.00 0.00 C ATOM 309 NE ARG A 18 -4.999 -18.230 -16.995 1.00 0.00 N ATOM 310 CZ ARG A 18 -5.560 -19.399 -17.250 1.00 0.00 C ATOM 311 NH1 ARG A 18 -4.937 -20.526 -17.043 1.00 0.00 N ATOM 312 NH2 ARG A 18 -6.772 -19.462 -17.723 1.00 0.00 N ATOM 0 H ARG A 18 -0.774 -15.023 -13.881 1.00 0.00 H new ATOM 0 HA ARG A 18 -2.520 -17.263 -13.904 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -1.806 -15.162 -15.606 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -1.237 -16.587 -16.453 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -4.080 -16.158 -15.437 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -3.557 -15.962 -17.098 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -2.904 -18.401 -17.139 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -3.539 -18.570 -15.515 1.00 0.00 H new ATOM 0 HE ARG A 18 -5.554 -17.399 -17.199 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -3.986 -20.523 -16.673 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -5.400 -21.411 -17.251 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -7.296 -18.605 -17.899 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -7.197 -20.369 -17.917 1.00 0.00 H new ATOM 326 N GLU A 19 0.604 -17.974 -14.311 1.00 0.00 N ATOM 327 CA GLU A 19 1.619 -19.029 -14.368 1.00 0.00 C ATOM 328 C GLU A 19 1.679 -19.897 -13.099 1.00 0.00 C ATOM 329 O GLU A 19 2.078 -21.059 -13.158 1.00 0.00 O ATOM 330 CB GLU A 19 2.974 -18.334 -14.538 1.00 0.00 C ATOM 331 CG GLU A 19 3.970 -19.156 -15.365 1.00 0.00 C ATOM 332 CD GLU A 19 5.168 -18.295 -15.801 1.00 0.00 C ATOM 333 OE1 GLU A 19 6.087 -18.061 -14.979 1.00 0.00 O ATOM 334 OE2 GLU A 19 5.205 -17.858 -16.977 1.00 0.00 O ATOM 0 H GLU A 19 1.001 -17.062 -14.082 1.00 0.00 H new ATOM 0 HA GLU A 19 1.367 -19.696 -15.192 1.00 0.00 H new ATOM 0 HB2 GLU A 19 2.822 -17.367 -15.018 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.401 -18.138 -13.555 1.00 0.00 H new ATOM 0 HG2 GLU A 19 4.322 -20.005 -14.778 1.00 0.00 H new ATOM 0 HG3 GLU A 19 3.470 -19.562 -16.244 1.00 0.00 H new ATOM 341 N ALA A 20 1.315 -19.338 -11.941 1.00 0.00 N ATOM 342 CA ALA A 20 1.559 -19.970 -10.642 1.00 0.00 C ATOM 343 C ALA A 20 0.551 -21.083 -10.311 1.00 0.00 C ATOM 344 O ALA A 20 0.924 -22.071 -9.674 1.00 0.00 O ATOM 345 CB ALA A 20 1.582 -18.873 -9.572 1.00 0.00 C ATOM 0 H ALA A 20 0.843 -18.436 -11.878 1.00 0.00 H new ATOM 0 HA ALA A 20 2.524 -20.476 -10.674 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.763 -19.321 -8.595 1.00 0.00 H new ATOM 0 HB2 ALA A 20 2.377 -18.162 -9.797 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.623 -18.355 -9.562 1.00 0.00 H new ATOM 351 N LEU A 21 -0.691 -20.984 -10.808 1.00 0.00 N ATOM 352 CA LEU A 21 -1.720 -22.022 -10.654 1.00 0.00 C ATOM 353 C LEU A 21 -1.277 -23.377 -11.221 1.00 0.00 C ATOM 354 O LEU A 21 -1.716 -24.407 -10.716 1.00 0.00 O ATOM 355 CB LEU A 21 -3.054 -21.515 -11.231 1.00 0.00 C ATOM 356 CG LEU A 21 -4.248 -22.492 -11.170 1.00 0.00 C ATOM 357 CD1 LEU A 21 -5.558 -21.711 -11.033 1.00 0.00 C ATOM 358 CD2 LEU A 21 -4.376 -23.343 -12.440 1.00 0.00 C ATOM 0 H LEU A 21 -1.012 -20.171 -11.334 1.00 0.00 H new ATOM 0 HA LEU A 21 -1.873 -22.213 -9.592 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.331 -20.604 -10.700 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.892 -21.239 -12.273 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.066 -23.140 -10.313 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -6.395 -22.408 -10.991 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -5.534 -21.117 -10.119 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.679 -21.050 -11.892 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -5.231 -24.012 -12.345 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.520 -22.691 -13.302 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -3.468 -23.931 -12.577 1.00 0.00 H new ATOM 370 N GLU A 22 -0.356 -23.410 -12.190 1.00 0.00 N ATOM 371 CA GLU A 22 0.218 -24.674 -12.686 1.00 0.00 C ATOM 372 C GLU A 22 0.988 -25.476 -11.625 1.00 0.00 C ATOM 373 O GLU A 22 1.057 -26.705 -11.714 1.00 0.00 O ATOM 374 CB GLU A 22 1.162 -24.391 -13.860 1.00 0.00 C ATOM 375 CG GLU A 22 0.429 -24.369 -15.205 1.00 0.00 C ATOM 376 CD GLU A 22 1.411 -24.175 -16.377 1.00 0.00 C ATOM 377 OE1 GLU A 22 2.096 -25.153 -16.770 1.00 0.00 O ATOM 378 OE2 GLU A 22 1.493 -23.052 -16.934 1.00 0.00 O ATOM 0 H GLU A 22 0.011 -22.577 -12.650 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.633 -25.283 -12.991 1.00 0.00 H new ATOM 0 HB2 GLU A 22 1.656 -23.432 -13.703 1.00 0.00 H new ATOM 0 HB3 GLU A 22 1.943 -25.151 -13.887 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -0.119 -25.302 -15.338 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -0.306 -23.564 -15.207 1.00 0.00 H new ATOM 385 N TYR A 23 1.527 -24.798 -10.611 1.00 0.00 N ATOM 386 CA TYR A 23 2.305 -25.392 -9.517 1.00 0.00 C ATOM 387 C TYR A 23 1.538 -25.470 -8.186 1.00 0.00 C ATOM 388 O TYR A 23 1.934 -26.237 -7.305 1.00 0.00 O ATOM 389 CB TYR A 23 3.615 -24.607 -9.354 1.00 0.00 C ATOM 390 CG TYR A 23 4.583 -24.803 -10.507 1.00 0.00 C ATOM 391 CD1 TYR A 23 5.494 -25.877 -10.474 1.00 0.00 C ATOM 392 CD2 TYR A 23 4.557 -23.936 -11.618 1.00 0.00 C ATOM 393 CE1 TYR A 23 6.383 -26.084 -11.547 1.00 0.00 C ATOM 394 CE2 TYR A 23 5.442 -24.142 -12.695 1.00 0.00 C ATOM 395 CZ TYR A 23 6.359 -25.217 -12.661 1.00 0.00 C ATOM 396 OH TYR A 23 7.221 -25.428 -13.695 1.00 0.00 O ATOM 0 H TYR A 23 1.432 -23.786 -10.523 1.00 0.00 H new ATOM 0 HA TYR A 23 2.515 -26.427 -9.788 1.00 0.00 H new ATOM 0 HB2 TYR A 23 3.385 -23.546 -9.259 1.00 0.00 H new ATOM 0 HB3 TYR A 23 4.100 -24.912 -8.427 1.00 0.00 H new ATOM 0 HD1 TYR A 23 5.511 -26.543 -9.624 1.00 0.00 H new ATOM 0 HD2 TYR A 23 3.858 -23.113 -11.644 1.00 0.00 H new ATOM 0 HE1 TYR A 23 7.083 -26.906 -11.517 1.00 0.00 H new ATOM 0 HE2 TYR A 23 5.420 -23.478 -13.547 1.00 0.00 H new ATOM 0 HH TYR A 23 7.078 -24.746 -14.384 1.00 0.00 H new ATOM 406 N THR A 24 0.426 -24.740 -8.039 1.00 0.00 N ATOM 407 CA THR A 24 -0.340 -24.649 -6.778 1.00 0.00 C ATOM 408 C THR A 24 -1.758 -25.219 -6.866 1.00 0.00 C ATOM 409 O THR A 24 -2.233 -25.817 -5.900 1.00 0.00 O ATOM 410 CB THR A 24 -0.413 -23.192 -6.298 1.00 0.00 C ATOM 411 OG1 THR A 24 -1.064 -22.431 -7.286 1.00 0.00 O ATOM 412 CG2 THR A 24 0.957 -22.553 -6.063 1.00 0.00 C ATOM 0 H THR A 24 0.024 -24.188 -8.797 1.00 0.00 H new ATOM 0 HA THR A 24 0.205 -25.265 -6.063 1.00 0.00 H new ATOM 0 HB THR A 24 -0.944 -23.203 -5.346 1.00 0.00 H new ATOM 0 HG1 THR A 24 -0.437 -22.233 -8.013 1.00 0.00 H new ATOM 0 HG21 THR A 24 0.826 -21.525 -5.726 1.00 0.00 H new ATOM 0 HG22 THR A 24 1.497 -23.118 -5.303 1.00 0.00 H new ATOM 0 HG23 THR A 24 1.526 -22.560 -6.993 1.00 0.00 H new ATOM 420 N HIS A 25 -2.414 -25.128 -8.030 1.00 0.00 N ATOM 421 CA HIS A 25 -3.779 -25.622 -8.294 1.00 0.00 C ATOM 422 C HIS A 25 -4.810 -25.229 -7.207 1.00 0.00 C ATOM 423 O HIS A 25 -5.613 -26.056 -6.764 1.00 0.00 O ATOM 424 CB HIS A 25 -3.719 -27.131 -8.605 1.00 0.00 C ATOM 425 CG HIS A 25 -3.121 -27.428 -9.958 1.00 0.00 C ATOM 426 ND1 HIS A 25 -3.839 -27.682 -11.115 1.00 0.00 N ATOM 427 CD2 HIS A 25 -1.793 -27.438 -10.287 1.00 0.00 C ATOM 428 CE1 HIS A 25 -2.961 -27.842 -12.125 1.00 0.00 C ATOM 429 NE2 HIS A 25 -1.709 -27.712 -11.638 1.00 0.00 N ATOM 0 H HIS A 25 -1.994 -24.691 -8.850 1.00 0.00 H new ATOM 0 HA HIS A 25 -4.167 -25.115 -9.177 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -3.132 -27.632 -7.836 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -4.726 -27.547 -8.559 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -0.965 -27.264 -9.616 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -3.217 -28.042 -13.155 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -0.847 -27.801 -12.176 1.00 0.00 H new ATOM 438 N ASN A 26 -4.788 -23.965 -6.766 1.00 0.00 N ATOM 439 CA ASN A 26 -5.642 -23.430 -5.690 1.00 0.00 C ATOM 440 C ASN A 26 -6.674 -22.399 -6.205 1.00 0.00 C ATOM 441 O ASN A 26 -6.400 -21.678 -7.168 1.00 0.00 O ATOM 442 CB ASN A 26 -4.730 -22.857 -4.582 1.00 0.00 C ATOM 443 CG ASN A 26 -4.100 -23.925 -3.697 1.00 0.00 C ATOM 444 OD1 ASN A 26 -2.892 -24.059 -3.613 1.00 0.00 O ATOM 445 ND2 ASN A 26 -4.886 -24.692 -2.973 1.00 0.00 N ATOM 0 H ASN A 26 -4.159 -23.264 -7.157 1.00 0.00 H new ATOM 0 HA ASN A 26 -6.244 -24.238 -5.276 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -3.939 -22.267 -5.044 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -5.312 -22.178 -3.959 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -4.483 -25.391 -2.349 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -5.899 -24.588 -3.036 1.00 0.00 H new ATOM 452 N PRO A 27 -7.848 -22.268 -5.544 1.00 0.00 N ATOM 453 CA PRO A 27 -8.915 -21.340 -5.946 1.00 0.00 C ATOM 454 C PRO A 27 -8.607 -19.868 -5.617 1.00 0.00 C ATOM 455 O PRO A 27 -9.388 -18.976 -5.953 1.00 0.00 O ATOM 456 CB PRO A 27 -10.159 -21.824 -5.187 1.00 0.00 C ATOM 457 CG PRO A 27 -9.576 -22.390 -3.895 1.00 0.00 C ATOM 458 CD PRO A 27 -8.274 -23.030 -4.371 1.00 0.00 C ATOM 0 HA PRO A 27 -9.043 -21.351 -7.028 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -10.855 -21.008 -4.992 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -10.705 -22.582 -5.749 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -9.398 -21.610 -3.155 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -10.242 -23.120 -3.435 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -7.515 -22.997 -3.589 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -8.426 -24.080 -4.623 1.00 0.00 H new ATOM 466 N VAL A 28 -7.486 -19.593 -4.941 1.00 0.00 N ATOM 467 CA VAL A 28 -7.128 -18.261 -4.446 1.00 0.00 C ATOM 468 C VAL A 28 -6.523 -17.402 -5.556 1.00 0.00 C ATOM 469 O VAL A 28 -6.792 -16.207 -5.629 1.00 0.00 O ATOM 470 CB VAL A 28 -6.186 -18.400 -3.241 1.00 0.00 C ATOM 471 CG1 VAL A 28 -6.071 -17.074 -2.509 1.00 0.00 C ATOM 472 CG2 VAL A 28 -6.672 -19.429 -2.203 1.00 0.00 C ATOM 0 H VAL A 28 -6.790 -20.304 -4.719 1.00 0.00 H new ATOM 0 HA VAL A 28 -8.030 -17.745 -4.117 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.233 -18.730 -3.655 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -5.401 -17.186 -1.657 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -5.674 -16.318 -3.186 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -7.056 -16.766 -2.158 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -5.961 -19.478 -1.378 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -7.649 -19.129 -1.823 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -6.751 -20.410 -2.672 1.00 0.00 H new ATOM 482 N LEU A 29 -5.786 -18.000 -6.495 1.00 0.00 N ATOM 483 CA LEU A 29 -5.239 -17.300 -7.658 1.00 0.00 C ATOM 484 C LEU A 29 -6.356 -16.777 -8.576 1.00 0.00 C ATOM 485 O LEU A 29 -6.296 -15.636 -9.032 1.00 0.00 O ATOM 486 CB LEU A 29 -4.270 -18.238 -8.390 1.00 0.00 C ATOM 487 CG LEU A 29 -3.122 -18.736 -7.488 1.00 0.00 C ATOM 488 CD1 LEU A 29 -3.331 -20.185 -7.058 1.00 0.00 C ATOM 489 CD2 LEU A 29 -1.778 -18.624 -8.200 1.00 0.00 C ATOM 0 H LEU A 29 -5.551 -18.992 -6.469 1.00 0.00 H new ATOM 0 HA LEU A 29 -4.688 -16.419 -7.329 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -4.822 -19.096 -8.774 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -3.850 -17.718 -9.251 1.00 0.00 H new ATOM 0 HG LEU A 29 -3.122 -18.100 -6.603 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -2.502 -20.500 -6.424 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -4.265 -20.268 -6.502 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -3.376 -20.824 -7.940 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.986 -18.982 -7.541 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -1.796 -19.228 -9.107 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -1.590 -17.582 -8.461 1.00 0.00 H new ATOM 501 N ALA A 30 -7.438 -17.555 -8.715 1.00 0.00 N ATOM 502 CA ALA A 30 -8.711 -17.183 -9.347 1.00 0.00 C ATOM 503 C ALA A 30 -9.515 -16.090 -8.591 1.00 0.00 C ATOM 504 O ALA A 30 -10.675 -15.831 -8.919 1.00 0.00 O ATOM 505 CB ALA A 30 -9.531 -18.469 -9.533 1.00 0.00 C ATOM 0 H ALA A 30 -7.449 -18.515 -8.370 1.00 0.00 H new ATOM 0 HA ALA A 30 -8.488 -16.717 -10.307 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -10.485 -18.228 -10.001 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -8.980 -19.163 -10.168 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -9.710 -18.930 -8.562 1.00 0.00 H new ATOM 511 N LYS A 31 -8.908 -15.438 -7.590 1.00 0.00 N ATOM 512 CA LYS A 31 -9.429 -14.300 -6.826 1.00 0.00 C ATOM 513 C LYS A 31 -8.395 -13.177 -6.722 1.00 0.00 C ATOM 514 O LYS A 31 -8.735 -12.022 -6.965 1.00 0.00 O ATOM 515 CB LYS A 31 -9.909 -14.814 -5.456 1.00 0.00 C ATOM 516 CG LYS A 31 -10.825 -13.821 -4.727 1.00 0.00 C ATOM 517 CD LYS A 31 -11.320 -14.327 -3.358 1.00 0.00 C ATOM 518 CE LYS A 31 -12.486 -15.332 -3.408 1.00 0.00 C ATOM 519 NZ LYS A 31 -12.072 -16.718 -3.759 1.00 0.00 N ATOM 0 H LYS A 31 -7.978 -15.711 -7.273 1.00 0.00 H new ATOM 0 HA LYS A 31 -10.280 -13.855 -7.342 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -10.441 -15.756 -5.594 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -9.042 -15.026 -4.830 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -10.289 -12.882 -4.586 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -11.687 -13.604 -5.358 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -10.483 -14.793 -2.837 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -11.628 -13.468 -2.762 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -12.983 -15.346 -2.438 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -13.220 -14.987 -4.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -12.706 -17.398 -3.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -12.124 -16.845 -4.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -11.096 -16.880 -3.439 1.00 0.00 H new ATOM 533 N ILE A 32 -7.123 -13.517 -6.492 1.00 0.00 N ATOM 534 CA ILE A 32 -6.002 -12.564 -6.481 1.00 0.00 C ATOM 535 C ILE A 32 -5.857 -11.883 -7.842 1.00 0.00 C ATOM 536 O ILE A 32 -6.097 -10.683 -7.954 1.00 0.00 O ATOM 537 CB ILE A 32 -4.672 -13.226 -6.051 1.00 0.00 C ATOM 538 CG1 ILE A 32 -4.680 -13.856 -4.640 1.00 0.00 C ATOM 539 CG2 ILE A 32 -3.570 -12.158 -6.070 1.00 0.00 C ATOM 540 CD1 ILE A 32 -3.624 -14.968 -4.516 1.00 0.00 C ATOM 0 H ILE A 32 -6.836 -14.478 -6.305 1.00 0.00 H new ATOM 0 HA ILE A 32 -6.234 -11.805 -5.734 1.00 0.00 H new ATOM 0 HB ILE A 32 -4.505 -14.039 -6.758 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -4.488 -13.085 -3.894 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -5.668 -14.265 -4.428 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -2.623 -12.607 -5.769 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -3.475 -11.751 -7.077 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -3.828 -11.357 -5.378 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -3.656 -15.390 -3.512 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -3.833 -15.751 -5.245 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -2.634 -14.552 -4.703 1.00 0.00 H new ATOM 552 N LEU A 33 -5.509 -12.636 -8.889 1.00 0.00 N ATOM 553 CA LEU A 33 -5.322 -12.053 -10.222 1.00 0.00 C ATOM 554 C LEU A 33 -6.652 -11.622 -10.843 1.00 0.00 C ATOM 555 O LEU A 33 -6.667 -10.733 -11.689 1.00 0.00 O ATOM 556 CB LEU A 33 -4.502 -13.005 -11.108 1.00 0.00 C ATOM 557 CG LEU A 33 -5.312 -14.080 -11.854 1.00 0.00 C ATOM 558 CD1 LEU A 33 -5.645 -13.674 -13.291 1.00 0.00 C ATOM 559 CD2 LEU A 33 -4.564 -15.413 -11.933 1.00 0.00 C ATOM 0 H LEU A 33 -5.352 -13.643 -8.842 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.743 -11.134 -10.130 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.957 -12.411 -11.842 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.758 -13.502 -10.485 1.00 0.00 H new ATOM 0 HG LEU A 33 -6.228 -14.187 -11.273 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -6.217 -14.469 -13.770 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.234 -12.757 -13.283 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.721 -13.507 -13.845 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.174 -16.141 -12.468 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -3.622 -15.271 -12.462 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -4.363 -15.778 -10.926 1.00 0.00 H new ATOM 571 N GLU A 34 -7.769 -12.208 -10.395 1.00 0.00 N ATOM 572 CA GLU A 34 -9.096 -11.749 -10.795 1.00 0.00 C ATOM 573 C GLU A 34 -9.329 -10.294 -10.358 1.00 0.00 C ATOM 574 O GLU A 34 -9.893 -9.509 -11.121 1.00 0.00 O ATOM 575 CB GLU A 34 -10.187 -12.701 -10.281 1.00 0.00 C ATOM 576 CG GLU A 34 -11.549 -12.389 -10.913 1.00 0.00 C ATOM 577 CD GLU A 34 -12.619 -13.432 -10.534 1.00 0.00 C ATOM 578 OE1 GLU A 34 -13.279 -13.271 -9.477 1.00 0.00 O ATOM 579 OE2 GLU A 34 -12.849 -14.384 -11.320 1.00 0.00 O ATOM 0 H GLU A 34 -7.775 -13.002 -9.755 1.00 0.00 H new ATOM 0 HA GLU A 34 -9.154 -11.764 -11.883 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -9.908 -13.731 -10.505 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -10.261 -12.620 -9.197 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -11.878 -11.400 -10.593 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -11.445 -12.355 -11.998 1.00 0.00 H new ATOM 586 N ASP A 35 -8.829 -9.892 -9.183 1.00 0.00 N ATOM 587 CA ASP A 35 -8.782 -8.486 -8.786 1.00 0.00 C ATOM 588 C ASP A 35 -7.769 -7.661 -9.572 1.00 0.00 C ATOM 589 O ASP A 35 -8.141 -6.622 -10.122 1.00 0.00 O ATOM 590 CB ASP A 35 -8.483 -8.371 -7.292 1.00 0.00 C ATOM 591 CG ASP A 35 -9.521 -8.993 -6.349 1.00 0.00 C ATOM 592 OD1 ASP A 35 -10.724 -9.075 -6.709 1.00 0.00 O ATOM 593 OD2 ASP A 35 -9.104 -9.340 -5.216 1.00 0.00 O ATOM 0 H ASP A 35 -8.448 -10.532 -8.486 1.00 0.00 H new ATOM 0 HA ASP A 35 -9.766 -8.075 -9.013 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -7.518 -8.839 -7.098 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -8.381 -7.315 -7.042 1.00 0.00 H new ATOM 598 N GLU A 36 -6.518 -8.112 -9.696 1.00 0.00 N ATOM 599 CA GLU A 36 -5.509 -7.380 -10.471 1.00 0.00 C ATOM 600 C GLU A 36 -5.931 -7.118 -11.931 1.00 0.00 C ATOM 601 O GLU A 36 -5.491 -6.134 -12.527 1.00 0.00 O ATOM 602 CB GLU A 36 -4.159 -8.109 -10.439 1.00 0.00 C ATOM 603 CG GLU A 36 -3.614 -8.531 -9.065 1.00 0.00 C ATOM 604 CD GLU A 36 -3.292 -7.404 -8.079 1.00 0.00 C ATOM 605 OE1 GLU A 36 -3.923 -6.321 -8.081 1.00 0.00 O ATOM 606 OE2 GLU A 36 -2.405 -7.566 -7.202 1.00 0.00 O ATOM 0 H GLU A 36 -6.179 -8.976 -9.273 1.00 0.00 H new ATOM 0 HA GLU A 36 -5.411 -6.407 -9.989 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -4.245 -9.003 -11.056 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -3.417 -7.465 -10.912 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -4.343 -9.194 -8.598 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -2.707 -9.115 -9.223 1.00 0.00 H new ATOM 613 N GLU A 37 -6.833 -7.933 -12.491 1.00 0.00 N ATOM 614 CA GLU A 37 -7.325 -7.777 -13.871 1.00 0.00 C ATOM 615 C GLU A 37 -8.183 -6.507 -14.022 1.00 0.00 C ATOM 616 O GLU A 37 -8.168 -5.846 -15.063 1.00 0.00 O ATOM 617 CB GLU A 37 -8.128 -9.026 -14.280 1.00 0.00 C ATOM 618 CG GLU A 37 -8.389 -9.099 -15.790 1.00 0.00 C ATOM 619 CD GLU A 37 -9.259 -10.316 -16.145 1.00 0.00 C ATOM 620 OE1 GLU A 37 -8.707 -11.429 -16.328 1.00 0.00 O ATOM 621 OE2 GLU A 37 -10.497 -10.159 -16.273 1.00 0.00 O ATOM 0 H GLU A 37 -7.246 -8.725 -11.999 1.00 0.00 H new ATOM 0 HA GLU A 37 -6.465 -7.671 -14.533 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -7.587 -9.919 -13.966 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -9.081 -9.029 -13.751 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -8.884 -8.186 -16.121 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -7.440 -9.159 -16.323 1.00 0.00 H new ATOM 628 N LYS A 38 -8.900 -6.149 -12.950 1.00 0.00 N ATOM 629 CA LYS A 38 -9.762 -4.965 -12.838 1.00 0.00 C ATOM 630 C LYS A 38 -8.986 -3.758 -12.345 1.00 0.00 C ATOM 631 O LYS A 38 -9.190 -2.671 -12.868 1.00 0.00 O ATOM 632 CB LYS A 38 -10.916 -5.265 -11.864 1.00 0.00 C ATOM 633 CG LYS A 38 -11.752 -6.482 -12.294 1.00 0.00 C ATOM 634 CD LYS A 38 -12.813 -6.917 -11.273 1.00 0.00 C ATOM 635 CE LYS A 38 -12.139 -7.381 -9.974 1.00 0.00 C ATOM 636 NZ LYS A 38 -13.012 -8.247 -9.143 1.00 0.00 N ATOM 0 H LYS A 38 -8.895 -6.704 -12.094 1.00 0.00 H new ATOM 0 HA LYS A 38 -10.154 -4.734 -13.829 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.509 -5.442 -10.868 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -11.563 -4.391 -11.793 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -12.247 -6.252 -13.238 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -11.081 -7.320 -12.482 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -13.489 -6.088 -11.065 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -13.417 -7.725 -11.687 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -11.226 -7.924 -10.219 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -11.844 -6.508 -9.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -12.503 -8.528 -8.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -13.872 -7.724 -8.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -13.273 -9.097 -9.683 1.00 0.00 H new ATOM 650 N HIS A 39 -8.076 -3.944 -11.387 1.00 0.00 N ATOM 651 CA HIS A 39 -7.349 -2.899 -10.681 1.00 0.00 C ATOM 652 C HIS A 39 -6.709 -1.843 -11.585 1.00 0.00 C ATOM 653 O HIS A 39 -6.908 -0.653 -11.359 1.00 0.00 O ATOM 654 CB HIS A 39 -6.283 -3.601 -9.858 1.00 0.00 C ATOM 655 CG HIS A 39 -6.720 -4.104 -8.518 1.00 0.00 C ATOM 656 ND1 HIS A 39 -5.821 -4.310 -7.472 1.00 0.00 N ATOM 657 CD2 HIS A 39 -7.982 -4.436 -8.116 1.00 0.00 C ATOM 658 CE1 HIS A 39 -6.579 -4.743 -6.446 1.00 0.00 C ATOM 659 NE2 HIS A 39 -7.874 -4.815 -6.797 1.00 0.00 N ATOM 0 H HIS A 39 -7.816 -4.878 -11.070 1.00 0.00 H new ATOM 0 HA HIS A 39 -8.058 -2.339 -10.071 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -5.902 -4.444 -10.435 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -5.451 -2.912 -9.713 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -8.882 -4.407 -8.712 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -6.196 -4.999 -5.469 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -8.643 -5.101 -6.191 1.00 0.00 H new ATOM 667 N ILE A 40 -5.967 -2.262 -12.611 1.00 0.00 N ATOM 668 CA ILE A 40 -5.267 -1.321 -13.502 1.00 0.00 C ATOM 669 C ILE A 40 -6.249 -0.403 -14.238 1.00 0.00 C ATOM 670 O ILE A 40 -5.982 0.787 -14.371 1.00 0.00 O ATOM 671 CB ILE A 40 -4.342 -2.069 -14.488 1.00 0.00 C ATOM 672 CG1 ILE A 40 -3.344 -2.933 -13.688 1.00 0.00 C ATOM 673 CG2 ILE A 40 -3.595 -1.090 -15.416 1.00 0.00 C ATOM 674 CD1 ILE A 40 -2.314 -3.655 -14.554 1.00 0.00 C ATOM 0 H ILE A 40 -5.832 -3.244 -12.850 1.00 0.00 H new ATOM 0 HA ILE A 40 -4.639 -0.685 -12.879 1.00 0.00 H new ATOM 0 HB ILE A 40 -4.952 -2.710 -15.124 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -2.821 -2.298 -12.973 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -3.900 -3.672 -13.111 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -2.954 -1.651 -16.096 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -4.317 -0.512 -15.992 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -2.985 -0.414 -14.817 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -1.650 -4.240 -13.918 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -2.826 -4.318 -15.252 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.730 -2.923 -15.112 1.00 0.00 H new ATOM 686 N GLU A 41 -7.407 -0.921 -14.658 1.00 0.00 N ATOM 687 CA GLU A 41 -8.482 -0.099 -15.225 1.00 0.00 C ATOM 688 C GLU A 41 -9.265 0.667 -14.147 1.00 0.00 C ATOM 689 O GLU A 41 -9.610 1.825 -14.356 1.00 0.00 O ATOM 690 CB GLU A 41 -9.401 -0.950 -16.114 1.00 0.00 C ATOM 691 CG GLU A 41 -8.672 -1.392 -17.393 1.00 0.00 C ATOM 692 CD GLU A 41 -9.606 -2.152 -18.355 1.00 0.00 C ATOM 693 OE1 GLU A 41 -10.483 -1.514 -18.989 1.00 0.00 O ATOM 694 OE2 GLU A 41 -9.455 -3.388 -18.511 1.00 0.00 O ATOM 0 H GLU A 41 -7.626 -1.916 -14.615 1.00 0.00 H new ATOM 0 HA GLU A 41 -8.019 0.661 -15.854 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -9.738 -1.827 -15.561 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -10.291 -0.378 -16.377 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -8.264 -0.517 -17.899 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -7.828 -2.029 -17.128 1.00 0.00 H new ATOM 701 N TRP A 42 -9.474 0.089 -12.964 1.00 0.00 N ATOM 702 CA TRP A 42 -10.073 0.745 -11.788 1.00 0.00 C ATOM 703 C TRP A 42 -9.388 2.076 -11.387 1.00 0.00 C ATOM 704 O TRP A 42 -10.088 3.067 -11.188 1.00 0.00 O ATOM 705 CB TRP A 42 -10.131 -0.290 -10.645 1.00 0.00 C ATOM 706 CG TRP A 42 -11.308 -1.217 -10.614 1.00 0.00 C ATOM 707 CD1 TRP A 42 -12.307 -1.298 -11.524 1.00 0.00 C ATOM 708 CD2 TRP A 42 -11.615 -2.223 -9.600 1.00 0.00 C ATOM 709 NE1 TRP A 42 -13.225 -2.246 -11.123 1.00 0.00 N ATOM 710 CE2 TRP A 42 -12.845 -2.857 -9.946 1.00 0.00 C ATOM 711 CE3 TRP A 42 -10.971 -2.665 -8.424 1.00 0.00 C ATOM 712 CZ2 TRP A 42 -13.412 -3.876 -9.166 1.00 0.00 C ATOM 713 CZ3 TRP A 42 -11.521 -3.700 -7.643 1.00 0.00 C ATOM 714 CH2 TRP A 42 -12.740 -4.301 -8.007 1.00 0.00 C ATOM 0 H TRP A 42 -9.224 -0.884 -12.786 1.00 0.00 H new ATOM 0 HA TRP A 42 -11.084 1.065 -12.039 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -9.226 -0.896 -10.693 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -10.103 0.251 -9.699 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -12.375 -0.710 -12.427 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -14.080 -2.468 -11.634 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -10.044 -2.203 -8.119 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -14.351 -4.327 -9.452 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -11.002 -4.035 -6.757 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -13.159 -5.088 -7.397 1.00 0.00 H new ATOM 725 N LEU A 43 -8.049 2.160 -11.358 1.00 0.00 N ATOM 726 CA LEU A 43 -7.285 3.419 -11.154 1.00 0.00 C ATOM 727 C LEU A 43 -7.114 4.287 -12.423 1.00 0.00 C ATOM 728 O LEU A 43 -6.458 5.326 -12.368 1.00 0.00 O ATOM 729 CB LEU A 43 -5.971 3.142 -10.401 1.00 0.00 C ATOM 730 CG LEU A 43 -5.077 2.059 -11.024 1.00 0.00 C ATOM 731 CD1 LEU A 43 -3.768 2.651 -11.516 1.00 0.00 C ATOM 732 CD2 LEU A 43 -4.706 0.980 -10.006 1.00 0.00 C ATOM 0 H LEU A 43 -7.448 1.345 -11.477 1.00 0.00 H new ATOM 0 HA LEU A 43 -7.899 4.054 -10.515 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -5.402 4.070 -10.341 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -6.211 2.849 -9.379 1.00 0.00 H new ATOM 0 HG LEU A 43 -5.652 1.631 -11.846 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -3.154 1.863 -11.952 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.973 3.411 -12.270 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -3.236 3.104 -10.679 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -4.073 0.232 -10.483 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -4.167 1.434 -9.175 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -5.613 0.504 -9.633 1.00 0.00 H new ATOM 744 N GLU A 44 -7.762 3.929 -13.536 1.00 0.00 N ATOM 745 CA GLU A 44 -7.709 4.648 -14.823 1.00 0.00 C ATOM 746 C GLU A 44 -9.055 5.228 -15.247 1.00 0.00 C ATOM 747 O GLU A 44 -9.114 6.341 -15.762 1.00 0.00 O ATOM 748 CB GLU A 44 -7.268 3.666 -15.916 1.00 0.00 C ATOM 749 CG GLU A 44 -6.134 4.203 -16.778 1.00 0.00 C ATOM 750 CD GLU A 44 -4.737 4.052 -16.142 1.00 0.00 C ATOM 751 OE1 GLU A 44 -4.402 4.821 -15.212 1.00 0.00 O ATOM 752 OE2 GLU A 44 -3.945 3.206 -16.625 1.00 0.00 O ATOM 0 H GLU A 44 -8.360 3.103 -13.572 1.00 0.00 H new ATOM 0 HA GLU A 44 -7.011 5.475 -14.692 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -6.952 2.732 -15.451 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -8.121 3.433 -16.553 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -6.143 3.685 -17.737 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -6.316 5.258 -16.984 1.00 0.00 H new ATOM 759 N THR A 45 -10.140 4.510 -14.969 1.00 0.00 N ATOM 760 CA THR A 45 -11.530 4.974 -15.013 1.00 0.00 C ATOM 761 C THR A 45 -11.729 6.312 -14.282 1.00 0.00 C ATOM 762 O THR A 45 -12.546 7.140 -14.687 1.00 0.00 O ATOM 763 CB THR A 45 -12.439 3.876 -14.445 1.00 0.00 C ATOM 764 OG1 THR A 45 -12.489 2.803 -15.363 1.00 0.00 O ATOM 765 CG2 THR A 45 -13.877 4.313 -14.184 1.00 0.00 C ATOM 0 H THR A 45 -10.072 3.531 -14.690 1.00 0.00 H new ATOM 0 HA THR A 45 -11.798 5.166 -16.052 1.00 0.00 H new ATOM 0 HB THR A 45 -12.003 3.601 -13.485 1.00 0.00 H new ATOM 0 HG1 THR A 45 -11.677 2.261 -15.278 1.00 0.00 H new ATOM 0 HG21 THR A 45 -14.445 3.473 -13.784 1.00 0.00 H new ATOM 0 HG22 THR A 45 -13.884 5.132 -13.464 1.00 0.00 H new ATOM 0 HG23 THR A 45 -14.331 4.647 -15.117 1.00 0.00 H new ATOM 773 N ILE A 46 -10.915 6.555 -13.247 1.00 0.00 N ATOM 774 CA ILE A 46 -10.767 7.840 -12.532 1.00 0.00 C ATOM 775 C ILE A 46 -10.527 9.031 -13.479 1.00 0.00 C ATOM 776 O ILE A 46 -10.996 10.144 -13.231 1.00 0.00 O ATOM 777 CB ILE A 46 -9.588 7.761 -11.524 1.00 0.00 C ATOM 778 CG1 ILE A 46 -9.544 6.482 -10.663 1.00 0.00 C ATOM 779 CG2 ILE A 46 -9.535 8.998 -10.608 1.00 0.00 C ATOM 780 CD1 ILE A 46 -10.786 6.225 -9.801 1.00 0.00 C ATOM 0 H ILE A 46 -10.310 5.829 -12.863 1.00 0.00 H new ATOM 0 HA ILE A 46 -11.710 8.010 -12.012 1.00 0.00 H new ATOM 0 HB ILE A 46 -8.705 7.730 -12.163 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -9.397 5.626 -11.322 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -8.674 6.535 -10.009 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -8.697 8.904 -9.918 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -9.407 9.895 -11.214 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -10.464 9.072 -10.043 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -10.652 5.302 -9.236 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -10.928 7.056 -9.110 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -11.662 6.134 -10.443 1.00 0.00 H new ATOM 792 N LEU A 47 -9.769 8.792 -14.552 1.00 0.00 N ATOM 793 CA LEU A 47 -9.084 9.791 -15.369 1.00 0.00 C ATOM 794 C LEU A 47 -9.043 9.468 -16.881 1.00 0.00 C ATOM 795 O LEU A 47 -8.145 9.909 -17.602 1.00 0.00 O ATOM 796 CB LEU A 47 -7.710 10.085 -14.725 1.00 0.00 C ATOM 797 CG LEU A 47 -6.805 8.858 -14.451 1.00 0.00 C ATOM 798 CD1 LEU A 47 -5.740 8.653 -15.528 1.00 0.00 C ATOM 799 CD2 LEU A 47 -6.106 9.048 -13.108 1.00 0.00 C ATOM 0 H LEU A 47 -9.609 7.843 -14.891 1.00 0.00 H new ATOM 0 HA LEU A 47 -9.669 10.711 -15.367 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -7.168 10.772 -15.374 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -7.878 10.604 -13.781 1.00 0.00 H new ATOM 0 HG LEU A 47 -7.447 7.977 -14.449 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -5.137 7.779 -15.282 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -6.223 8.500 -16.493 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -5.099 9.533 -15.578 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.466 8.189 -12.906 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -5.499 9.953 -13.138 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -6.852 9.138 -12.319 1.00 0.00 H new ATOM 811 N GLY A 48 -10.039 8.725 -17.372 1.00 0.00 N ATOM 812 CA GLY A 48 -10.196 8.345 -18.781 1.00 0.00 C ATOM 813 C GLY A 48 -11.625 7.920 -19.143 1.00 0.00 C ATOM 814 O GLY A 48 -12.525 7.879 -18.302 1.00 0.00 O ATOM 0 H GLY A 48 -10.784 8.358 -16.780 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -9.905 9.186 -19.411 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -9.513 7.526 -19.007 1.00 0.00 H new HETATM 818 N NH2 A 49 -11.863 7.602 -20.408 1.00 0.00 N TER 821 NH2 A 49 HETATM 822 C ACE B 0 11.159 -19.383 -6.086 1.00 0.00 C HETATM 823 O ACE B 0 10.322 -18.779 -5.423 1.00 0.00 O HETATM 824 CH3 ACE B 0 11.094 -20.885 -6.210 1.00 0.00 C HETATM 0 H1 ACE B 0 10.984 -21.159 -7.259 1.00 0.00 H new HETATM 0 H2 ACE B 0 12.011 -21.323 -5.815 1.00 0.00 H new HETATM 0 H3 ACE B 0 10.240 -21.260 -5.646 1.00 0.00 H new ATOM 828 N ASP B 1 12.146 -18.774 -6.739 1.00 0.00 N ATOM 829 CA ASP B 1 12.422 -17.324 -6.689 1.00 0.00 C ATOM 830 C ASP B 1 11.219 -16.440 -7.074 1.00 0.00 C ATOM 831 O ASP B 1 11.035 -15.346 -6.538 1.00 0.00 O ATOM 832 CB ASP B 1 13.612 -17.034 -7.611 1.00 0.00 C ATOM 833 CG ASP B 1 14.126 -15.591 -7.471 1.00 0.00 C ATOM 834 OD1 ASP B 1 14.687 -15.251 -6.401 1.00 0.00 O ATOM 835 OD2 ASP B 1 14.005 -14.808 -8.442 1.00 0.00 O ATOM 0 H ASP B 1 12.799 -19.282 -7.336 1.00 0.00 H new ATOM 0 HA ASP B 1 12.645 -17.067 -5.653 1.00 0.00 H new ATOM 0 HB2 ASP B 1 14.421 -17.728 -7.384 1.00 0.00 H new ATOM 0 HB3 ASP B 1 13.319 -17.213 -8.645 1.00 0.00 H new ATOM 840 N TYR B 2 10.367 -16.951 -7.964 1.00 0.00 N ATOM 841 CA TYR B 2 9.119 -16.312 -8.398 1.00 0.00 C ATOM 842 C TYR B 2 8.172 -15.951 -7.241 1.00 0.00 C ATOM 843 O TYR B 2 7.493 -14.928 -7.294 1.00 0.00 O ATOM 844 CB TYR B 2 8.404 -17.209 -9.419 1.00 0.00 C ATOM 845 CG TYR B 2 7.710 -18.449 -8.877 1.00 0.00 C ATOM 846 CD1 TYR B 2 8.434 -19.639 -8.661 1.00 0.00 C ATOM 847 CD2 TYR B 2 6.322 -18.421 -8.625 1.00 0.00 C ATOM 848 CE1 TYR B 2 7.780 -20.791 -8.182 1.00 0.00 C ATOM 849 CE2 TYR B 2 5.662 -19.575 -8.159 1.00 0.00 C ATOM 850 CZ TYR B 2 6.389 -20.762 -7.931 1.00 0.00 C ATOM 851 OH TYR B 2 5.747 -21.870 -7.469 1.00 0.00 O ATOM 0 H TYR B 2 10.530 -17.850 -8.418 1.00 0.00 H new ATOM 0 HA TYR B 2 9.398 -15.365 -8.860 1.00 0.00 H new ATOM 0 HB2 TYR B 2 7.661 -16.605 -9.940 1.00 0.00 H new ATOM 0 HB3 TYR B 2 9.135 -17.527 -10.162 1.00 0.00 H new ATOM 0 HD1 TYR B 2 9.494 -19.668 -8.864 1.00 0.00 H new ATOM 0 HD2 TYR B 2 5.763 -17.511 -8.790 1.00 0.00 H new ATOM 0 HE1 TYR B 2 8.341 -21.697 -8.006 1.00 0.00 H new ATOM 0 HE2 TYR B 2 4.598 -19.551 -7.976 1.00 0.00 H new ATOM 0 HH TYR B 2 4.795 -21.671 -7.351 1.00 0.00 H new ATOM 861 N LEU B 3 8.153 -16.764 -6.183 1.00 0.00 N ATOM 862 CA LEU B 3 7.361 -16.536 -4.967 1.00 0.00 C ATOM 863 C LEU B 3 7.835 -15.293 -4.196 1.00 0.00 C ATOM 864 O LEU B 3 7.033 -14.419 -3.866 1.00 0.00 O ATOM 865 CB LEU B 3 7.442 -17.774 -4.057 1.00 0.00 C ATOM 866 CG LEU B 3 6.847 -19.045 -4.684 1.00 0.00 C ATOM 867 CD1 LEU B 3 7.236 -20.256 -3.838 1.00 0.00 C ATOM 868 CD2 LEU B 3 5.323 -18.957 -4.793 1.00 0.00 C ATOM 0 H LEU B 3 8.702 -17.623 -6.145 1.00 0.00 H new ATOM 0 HA LEU B 3 6.329 -16.362 -5.271 1.00 0.00 H new ATOM 0 HB2 LEU B 3 8.486 -17.959 -3.804 1.00 0.00 H new ATOM 0 HB3 LEU B 3 6.920 -17.562 -3.124 1.00 0.00 H new ATOM 0 HG LEU B 3 7.248 -19.149 -5.692 1.00 0.00 H new ATOM 0 HD11 LEU B 3 6.815 -21.159 -4.280 1.00 0.00 H new ATOM 0 HD12 LEU B 3 8.322 -20.341 -3.803 1.00 0.00 H new ATOM 0 HD13 LEU B 3 6.849 -20.133 -2.827 1.00 0.00 H new ATOM 0 HD21 LEU B 3 4.937 -19.873 -5.241 1.00 0.00 H new ATOM 0 HD22 LEU B 3 4.894 -18.830 -3.799 1.00 0.00 H new ATOM 0 HD23 LEU B 3 5.051 -18.106 -5.417 1.00 0.00 H new ATOM 880 N ARG B 4 9.149 -15.181 -3.954 1.00 0.00 N ATOM 881 CA ARG B 4 9.785 -14.005 -3.330 1.00 0.00 C ATOM 882 C ARG B 4 9.570 -12.741 -4.166 1.00 0.00 C ATOM 883 O ARG B 4 9.278 -11.678 -3.617 1.00 0.00 O ATOM 884 CB ARG B 4 11.278 -14.317 -3.112 1.00 0.00 C ATOM 885 CG ARG B 4 12.077 -13.154 -2.500 1.00 0.00 C ATOM 886 CD ARG B 4 13.505 -13.615 -2.179 1.00 0.00 C ATOM 887 NE ARG B 4 14.355 -12.498 -1.722 1.00 0.00 N ATOM 888 CZ ARG B 4 15.568 -12.595 -1.204 1.00 0.00 C ATOM 889 NH1 ARG B 4 16.146 -13.745 -0.998 1.00 0.00 N ATOM 890 NH2 ARG B 4 16.238 -11.526 -0.879 1.00 0.00 N ATOM 0 H ARG B 4 9.814 -15.917 -4.190 1.00 0.00 H new ATOM 0 HA ARG B 4 9.321 -13.802 -2.365 1.00 0.00 H new ATOM 0 HB2 ARG B 4 11.366 -15.187 -2.461 1.00 0.00 H new ATOM 0 HB3 ARG B 4 11.725 -14.588 -4.068 1.00 0.00 H new ATOM 0 HG2 ARG B 4 12.104 -12.314 -3.194 1.00 0.00 H new ATOM 0 HG3 ARG B 4 11.586 -12.802 -1.593 1.00 0.00 H new ATOM 0 HD2 ARG B 4 13.473 -14.385 -1.409 1.00 0.00 H new ATOM 0 HD3 ARG B 4 13.948 -14.069 -3.066 1.00 0.00 H new ATOM 0 HE ARG B 4 13.969 -11.559 -1.815 1.00 0.00 H new ATOM 0 HH11 ARG B 4 15.661 -14.610 -1.238 1.00 0.00 H new ATOM 0 HH12 ARG B 4 17.083 -13.780 -0.596 1.00 0.00 H new ATOM 0 HH21 ARG B 4 15.828 -10.603 -1.023 1.00 0.00 H new ATOM 0 HH22 ARG B 4 17.173 -11.612 -0.480 1.00 0.00 H new ATOM 904 N GLU B 5 9.651 -12.874 -5.488 1.00 0.00 N ATOM 905 CA GLU B 5 9.361 -11.797 -6.442 1.00 0.00 C ATOM 906 C GLU B 5 7.891 -11.324 -6.359 1.00 0.00 C ATOM 907 O GLU B 5 7.610 -10.132 -6.489 1.00 0.00 O ATOM 908 CB GLU B 5 9.724 -12.297 -7.851 1.00 0.00 C ATOM 909 CG GLU B 5 9.769 -11.220 -8.937 1.00 0.00 C ATOM 910 CD GLU B 5 11.060 -10.377 -8.881 1.00 0.00 C ATOM 911 OE1 GLU B 5 11.189 -9.503 -7.991 1.00 0.00 O ATOM 912 OE2 GLU B 5 11.954 -10.572 -9.741 1.00 0.00 O ATOM 0 H GLU B 5 9.925 -13.748 -5.938 1.00 0.00 H new ATOM 0 HA GLU B 5 9.962 -10.922 -6.195 1.00 0.00 H new ATOM 0 HB2 GLU B 5 10.698 -12.784 -7.806 1.00 0.00 H new ATOM 0 HB3 GLU B 5 9.001 -13.057 -8.146 1.00 0.00 H new ATOM 0 HG2 GLU B 5 9.690 -11.693 -9.916 1.00 0.00 H new ATOM 0 HG3 GLU B 5 8.906 -10.564 -8.829 1.00 0.00 H new ATOM 919 N LEU B 6 6.957 -12.245 -6.088 1.00 0.00 N ATOM 920 CA LEU B 6 5.519 -11.984 -5.947 1.00 0.00 C ATOM 921 C LEU B 6 5.175 -11.114 -4.723 1.00 0.00 C ATOM 922 O LEU B 6 4.480 -10.107 -4.864 1.00 0.00 O ATOM 923 CB LEU B 6 4.769 -13.336 -5.898 1.00 0.00 C ATOM 924 CG LEU B 6 3.630 -13.453 -6.918 1.00 0.00 C ATOM 925 CD1 LEU B 6 4.134 -13.426 -8.366 1.00 0.00 C ATOM 926 CD2 LEU B 6 2.907 -14.786 -6.718 1.00 0.00 C ATOM 0 H LEU B 6 7.191 -13.229 -5.956 1.00 0.00 H new ATOM 0 HA LEU B 6 5.197 -11.406 -6.813 1.00 0.00 H new ATOM 0 HB2 LEU B 6 5.482 -14.142 -6.071 1.00 0.00 H new ATOM 0 HB3 LEU B 6 4.363 -13.479 -4.897 1.00 0.00 H new ATOM 0 HG LEU B 6 2.972 -12.599 -6.755 1.00 0.00 H new ATOM 0 HD11 LEU B 6 3.288 -13.512 -9.047 1.00 0.00 H new ATOM 0 HD12 LEU B 6 4.656 -12.487 -8.552 1.00 0.00 H new ATOM 0 HD13 LEU B 6 4.817 -14.260 -8.529 1.00 0.00 H new ATOM 0 HD21 LEU B 6 2.096 -14.872 -7.442 1.00 0.00 H new ATOM 0 HD22 LEU B 6 3.610 -15.606 -6.861 1.00 0.00 H new ATOM 0 HD23 LEU B 6 2.498 -14.830 -5.708 1.00 0.00 H new ATOM 938 N LEU B 7 5.662 -11.483 -3.530 1.00 0.00 N ATOM 939 CA LEU B 7 5.428 -10.726 -2.291 1.00 0.00 C ATOM 940 C LEU B 7 6.026 -9.308 -2.335 1.00 0.00 C ATOM 941 O LEU B 7 5.363 -8.339 -1.952 1.00 0.00 O ATOM 942 CB LEU B 7 5.999 -11.461 -1.057 1.00 0.00 C ATOM 943 CG LEU B 7 5.102 -12.575 -0.485 1.00 0.00 C ATOM 944 CD1 LEU B 7 5.405 -13.932 -1.113 1.00 0.00 C ATOM 945 CD2 LEU B 7 5.302 -12.706 1.025 1.00 0.00 C ATOM 0 H LEU B 7 6.232 -12.318 -3.396 1.00 0.00 H new ATOM 0 HA LEU B 7 4.344 -10.644 -2.205 1.00 0.00 H new ATOM 0 HB2 LEU B 7 6.963 -11.894 -1.326 1.00 0.00 H new ATOM 0 HB3 LEU B 7 6.187 -10.728 -0.272 1.00 0.00 H new ATOM 0 HG LEU B 7 4.075 -12.291 -0.716 1.00 0.00 H new ATOM 0 HD11 LEU B 7 4.749 -14.688 -0.680 1.00 0.00 H new ATOM 0 HD12 LEU B 7 5.239 -13.880 -2.189 1.00 0.00 H new ATOM 0 HD13 LEU B 7 6.444 -14.199 -0.919 1.00 0.00 H new ATOM 0 HD21 LEU B 7 4.660 -13.498 1.410 1.00 0.00 H new ATOM 0 HD22 LEU B 7 6.344 -12.950 1.234 1.00 0.00 H new ATOM 0 HD23 LEU B 7 5.046 -11.764 1.509 1.00 0.00 H new ATOM 957 N LYS B 8 7.286 -9.190 -2.772 1.00 0.00 N ATOM 958 CA LYS B 8 8.110 -7.977 -2.705 1.00 0.00 C ATOM 959 C LYS B 8 7.737 -6.957 -3.789 1.00 0.00 C ATOM 960 O LYS B 8 8.469 -6.735 -4.755 1.00 0.00 O ATOM 961 CB LYS B 8 9.582 -8.409 -2.732 1.00 0.00 C ATOM 962 CG LYS B 8 10.534 -7.261 -2.380 1.00 0.00 C ATOM 963 CD LYS B 8 11.975 -7.756 -2.218 1.00 0.00 C ATOM 964 CE LYS B 8 12.851 -6.531 -1.958 1.00 0.00 C ATOM 965 NZ LYS B 8 14.265 -6.894 -1.683 1.00 0.00 N ATOM 0 H LYS B 8 7.781 -9.972 -3.201 1.00 0.00 H new ATOM 0 HA LYS B 8 7.923 -7.441 -1.774 1.00 0.00 H new ATOM 0 HB2 LYS B 8 9.730 -9.229 -2.029 1.00 0.00 H new ATOM 0 HB3 LYS B 8 9.828 -8.790 -3.723 1.00 0.00 H new ATOM 0 HG2 LYS B 8 10.495 -6.502 -3.161 1.00 0.00 H new ATOM 0 HG3 LYS B 8 10.206 -6.785 -1.456 1.00 0.00 H new ATOM 0 HD2 LYS B 8 12.048 -8.463 -1.391 1.00 0.00 H new ATOM 0 HD3 LYS B 8 12.304 -8.280 -3.115 1.00 0.00 H new ATOM 0 HE2 LYS B 8 12.810 -5.869 -2.823 1.00 0.00 H new ATOM 0 HE3 LYS B 8 12.450 -5.974 -1.111 1.00 0.00 H new ATOM 0 HZ1 LYS B 8 14.818 -6.030 -1.513 1.00 0.00 H new ATOM 0 HZ2 LYS B 8 14.309 -7.505 -0.842 1.00 0.00 H new ATOM 0 HZ3 LYS B 8 14.658 -7.402 -2.501 1.00 0.00 H new ATOM 979 N GLY B 9 6.563 -6.350 -3.629 1.00 0.00 N ATOM 980 CA GLY B 9 6.060 -5.326 -4.533 1.00 0.00 C ATOM 981 C GLY B 9 4.593 -4.961 -4.387 1.00 0.00 C ATOM 982 O GLY B 9 4.222 -3.801 -4.562 1.00 0.00 O ATOM 0 H GLY B 9 5.929 -6.560 -2.858 1.00 0.00 H new ATOM 0 HA2 GLY B 9 6.653 -4.423 -4.391 1.00 0.00 H new ATOM 0 HA3 GLY B 9 6.229 -5.660 -5.557 1.00 0.00 H new ATOM 986 N GLU B 10 3.770 -5.923 -3.980 1.00 0.00 N ATOM 987 CA GLU B 10 2.382 -5.677 -3.579 1.00 0.00 C ATOM 988 C GLU B 10 2.323 -4.638 -2.445 1.00 0.00 C ATOM 989 O GLU B 10 1.561 -3.679 -2.507 1.00 0.00 O ATOM 990 CB GLU B 10 1.773 -7.018 -3.141 1.00 0.00 C ATOM 991 CG GLU B 10 1.608 -8.074 -4.248 1.00 0.00 C ATOM 992 CD GLU B 10 0.291 -7.898 -4.993 1.00 0.00 C ATOM 993 OE1 GLU B 10 -0.008 -6.973 -5.775 1.00 0.00 O ATOM 994 OE2 GLU B 10 -0.761 -8.527 -4.768 1.00 0.00 O ATOM 0 H GLU B 10 4.046 -6.903 -3.918 1.00 0.00 H new ATOM 0 HA GLU B 10 1.811 -5.270 -4.413 1.00 0.00 H new ATOM 0 HB2 GLU B 10 2.398 -7.439 -2.354 1.00 0.00 H new ATOM 0 HB3 GLU B 10 0.795 -6.824 -2.701 1.00 0.00 H new ATOM 0 HG2 GLU B 10 2.438 -7.999 -4.951 1.00 0.00 H new ATOM 0 HG3 GLU B 10 1.650 -9.071 -3.810 1.00 0.00 H new ATOM 1001 N LEU B 11 3.221 -4.759 -1.462 1.00 0.00 N ATOM 1002 CA LEU B 11 3.421 -3.849 -0.335 1.00 0.00 C ATOM 1003 C LEU B 11 3.852 -2.443 -0.793 1.00 0.00 C ATOM 1004 O LEU B 11 3.385 -1.434 -0.266 1.00 0.00 O ATOM 1005 CB LEU B 11 4.409 -4.594 0.604 1.00 0.00 C ATOM 1006 CG LEU B 11 5.420 -3.742 1.370 1.00 0.00 C ATOM 1007 CD1 LEU B 11 4.775 -2.906 2.477 1.00 0.00 C ATOM 1008 CD2 LEU B 11 6.482 -4.637 2.012 1.00 0.00 C ATOM 0 H LEU B 11 3.868 -5.547 -1.433 1.00 0.00 H new ATOM 0 HA LEU B 11 2.504 -3.626 0.211 1.00 0.00 H new ATOM 0 HB2 LEU B 11 3.824 -5.159 1.330 1.00 0.00 H new ATOM 0 HB3 LEU B 11 4.962 -5.319 0.006 1.00 0.00 H new ATOM 0 HG LEU B 11 5.863 -3.064 0.640 1.00 0.00 H new ATOM 0 HD11 LEU B 11 5.542 -2.322 2.986 1.00 0.00 H new ATOM 0 HD12 LEU B 11 4.036 -2.233 2.041 1.00 0.00 H new ATOM 0 HD13 LEU B 11 4.286 -3.566 3.194 1.00 0.00 H new ATOM 0 HD21 LEU B 11 7.198 -4.020 2.555 1.00 0.00 H new ATOM 0 HD22 LEU B 11 6.004 -5.331 2.703 1.00 0.00 H new ATOM 0 HD23 LEU B 11 7.003 -5.198 1.236 1.00 0.00 H new ATOM 1020 N GLN B 12 4.672 -2.385 -1.839 1.00 0.00 N ATOM 1021 CA GLN B 12 5.107 -1.156 -2.500 1.00 0.00 C ATOM 1022 C GLN B 12 3.944 -0.412 -3.184 1.00 0.00 C ATOM 1023 O GLN B 12 4.015 0.803 -3.365 1.00 0.00 O ATOM 1024 CB GLN B 12 6.244 -1.474 -3.496 1.00 0.00 C ATOM 1025 CG GLN B 12 7.434 -0.507 -3.385 1.00 0.00 C ATOM 1026 CD GLN B 12 8.272 -0.681 -2.112 1.00 0.00 C ATOM 1027 OE1 GLN B 12 8.057 -1.554 -1.279 1.00 0.00 O ATOM 1028 NE2 GLN B 12 9.278 0.144 -1.908 1.00 0.00 N ATOM 0 H GLN B 12 5.067 -3.223 -2.266 1.00 0.00 H new ATOM 0 HA GLN B 12 5.487 -0.479 -1.735 1.00 0.00 H new ATOM 0 HB2 GLN B 12 6.594 -2.492 -3.325 1.00 0.00 H new ATOM 0 HB3 GLN B 12 5.849 -1.439 -4.511 1.00 0.00 H new ATOM 0 HG2 GLN B 12 8.080 -0.643 -4.252 1.00 0.00 H new ATOM 0 HG3 GLN B 12 7.060 0.516 -3.423 1.00 0.00 H new ATOM 0 HE21 GLN B 12 9.480 0.880 -2.585 1.00 0.00 H new ATOM 0 HE22 GLN B 12 9.856 0.047 -1.073 1.00 0.00 H new ATOM 1037 N GLY B 13 2.854 -1.122 -3.508 1.00 0.00 N ATOM 1038 CA GLY B 13 1.599 -0.553 -4.001 1.00 0.00 C ATOM 1039 C GLY B 13 0.642 -0.181 -2.865 1.00 0.00 C ATOM 1040 O GLY B 13 0.104 0.926 -2.875 1.00 0.00 O ATOM 0 H GLY B 13 2.824 -2.139 -3.431 1.00 0.00 H new ATOM 0 HA2 GLY B 13 1.814 0.334 -4.596 1.00 0.00 H new ATOM 0 HA3 GLY B 13 1.113 -1.270 -4.662 1.00 0.00 H new ATOM 1044 N ILE B 14 0.492 -1.040 -1.842 1.00 0.00 N ATOM 1045 CA ILE B 14 -0.403 -0.805 -0.683 1.00 0.00 C ATOM 1046 C ILE B 14 -0.163 0.581 -0.059 1.00 0.00 C ATOM 1047 O ILE B 14 -1.111 1.323 0.207 1.00 0.00 O ATOM 1048 CB ILE B 14 -0.239 -1.918 0.387 1.00 0.00 C ATOM 1049 CG1 ILE B 14 -0.789 -3.266 -0.119 1.00 0.00 C ATOM 1050 CG2 ILE B 14 -0.949 -1.579 1.713 1.00 0.00 C ATOM 1051 CD1 ILE B 14 -0.383 -4.479 0.731 1.00 0.00 C ATOM 0 H ILE B 14 0.992 -1.928 -1.791 1.00 0.00 H new ATOM 0 HA ILE B 14 -1.428 -0.835 -1.054 1.00 0.00 H new ATOM 0 HB ILE B 14 0.833 -1.990 0.570 1.00 0.00 H new ATOM 0 HG12 ILE B 14 -1.877 -3.210 -0.153 1.00 0.00 H new ATOM 0 HG13 ILE B 14 -0.445 -3.423 -1.141 1.00 0.00 H new ATOM 0 HG21 ILE B 14 -0.801 -2.392 2.423 1.00 0.00 H new ATOM 0 HG22 ILE B 14 -0.534 -0.659 2.123 1.00 0.00 H new ATOM 0 HG23 ILE B 14 -2.015 -1.446 1.531 1.00 0.00 H new ATOM 0 HD11 ILE B 14 -0.814 -5.384 0.303 1.00 0.00 H new ATOM 0 HD12 ILE B 14 0.703 -4.566 0.746 1.00 0.00 H new ATOM 0 HD13 ILE B 14 -0.750 -4.349 1.749 1.00 0.00 H new ATOM 1063 N LYS B 15 1.108 0.950 0.155 1.00 0.00 N ATOM 1064 CA LYS B 15 1.506 2.152 0.873 1.00 0.00 C ATOM 1065 C LYS B 15 1.387 3.415 0.010 1.00 0.00 C ATOM 1066 O LYS B 15 1.028 4.481 0.506 1.00 0.00 O ATOM 1067 CB LYS B 15 2.929 1.886 1.376 1.00 0.00 C ATOM 1068 CG LYS B 15 3.317 2.776 2.557 1.00 0.00 C ATOM 1069 CD LYS B 15 4.666 2.329 3.130 1.00 0.00 C ATOM 1070 CE LYS B 15 4.569 1.014 3.922 1.00 0.00 C ATOM 1071 NZ LYS B 15 5.860 0.675 4.577 1.00 0.00 N ATOM 0 H LYS B 15 1.901 0.402 -0.178 1.00 0.00 H new ATOM 0 HA LYS B 15 0.840 2.355 1.712 1.00 0.00 H new ATOM 0 HB2 LYS B 15 3.015 0.840 1.671 1.00 0.00 H new ATOM 0 HB3 LYS B 15 3.634 2.046 0.560 1.00 0.00 H new ATOM 0 HG2 LYS B 15 3.376 3.816 2.235 1.00 0.00 H new ATOM 0 HG3 LYS B 15 2.550 2.724 3.329 1.00 0.00 H new ATOM 0 HD2 LYS B 15 5.379 2.206 2.315 1.00 0.00 H new ATOM 0 HD3 LYS B 15 5.057 3.112 3.780 1.00 0.00 H new ATOM 0 HE2 LYS B 15 3.788 1.100 4.678 1.00 0.00 H new ATOM 0 HE3 LYS B 15 4.277 0.205 3.252 1.00 0.00 H new ATOM 0 HZ1 LYS B 15 5.759 -0.217 5.102 1.00 0.00 H new ATOM 0 HZ2 LYS B 15 6.599 0.569 3.853 1.00 0.00 H new ATOM 0 HZ3 LYS B 15 6.126 1.436 5.234 1.00 0.00 H new ATOM 1085 N GLN B 16 1.604 3.263 -1.298 1.00 0.00 N ATOM 1086 CA GLN B 16 1.379 4.291 -2.318 1.00 0.00 C ATOM 1087 C GLN B 16 -0.098 4.649 -2.469 1.00 0.00 C ATOM 1088 O GLN B 16 -0.457 5.827 -2.467 1.00 0.00 O ATOM 1089 CB GLN B 16 1.964 3.806 -3.662 1.00 0.00 C ATOM 1090 CG GLN B 16 3.289 4.494 -4.011 1.00 0.00 C ATOM 1091 CD GLN B 16 3.055 5.940 -4.438 1.00 0.00 C ATOM 1092 OE1 GLN B 16 3.194 6.881 -3.669 1.00 0.00 O ATOM 1093 NE2 GLN B 16 2.659 6.164 -5.671 1.00 0.00 N ATOM 0 H GLN B 16 1.954 2.389 -1.691 1.00 0.00 H new ATOM 0 HA GLN B 16 1.886 5.202 -1.999 1.00 0.00 H new ATOM 0 HB2 GLN B 16 2.119 2.728 -3.619 1.00 0.00 H new ATOM 0 HB3 GLN B 16 1.242 3.992 -4.457 1.00 0.00 H new ATOM 0 HG2 GLN B 16 3.955 4.468 -3.149 1.00 0.00 H new ATOM 0 HG3 GLN B 16 3.786 3.949 -4.814 1.00 0.00 H new ATOM 0 HE21 GLN B 16 2.541 5.385 -6.318 1.00 0.00 H new ATOM 0 HE22 GLN B 16 2.470 7.117 -5.981 1.00 0.00 H new ATOM 1102 N TYR B 17 -0.967 3.641 -2.522 1.00 0.00 N ATOM 1103 CA TYR B 17 -2.409 3.840 -2.583 1.00 0.00 C ATOM 1104 C TYR B 17 -2.955 4.600 -1.376 1.00 0.00 C ATOM 1105 O TYR B 17 -3.876 5.407 -1.516 1.00 0.00 O ATOM 1106 CB TYR B 17 -3.101 2.480 -2.677 1.00 0.00 C ATOM 1107 CG TYR B 17 -2.980 1.761 -4.011 1.00 0.00 C ATOM 1108 CD1 TYR B 17 -3.155 2.460 -5.224 1.00 0.00 C ATOM 1109 CD2 TYR B 17 -2.719 0.375 -4.039 1.00 0.00 C ATOM 1110 CE1 TYR B 17 -3.048 1.784 -6.452 1.00 0.00 C ATOM 1111 CE2 TYR B 17 -2.625 -0.306 -5.267 1.00 0.00 C ATOM 1112 CZ TYR B 17 -2.797 0.395 -6.478 1.00 0.00 C ATOM 1113 OH TYR B 17 -2.811 -0.279 -7.657 1.00 0.00 O ATOM 0 H TYR B 17 -0.687 2.660 -2.524 1.00 0.00 H new ATOM 0 HA TYR B 17 -2.615 4.445 -3.466 1.00 0.00 H new ATOM 0 HB2 TYR B 17 -2.694 1.833 -1.900 1.00 0.00 H new ATOM 0 HB3 TYR B 17 -4.159 2.617 -2.455 1.00 0.00 H new ATOM 0 HD1 TYR B 17 -3.372 3.518 -5.209 1.00 0.00 H new ATOM 0 HD2 TYR B 17 -2.591 -0.166 -3.113 1.00 0.00 H new ATOM 0 HE1 TYR B 17 -3.158 2.329 -7.378 1.00 0.00 H new ATOM 0 HE2 TYR B 17 -2.421 -1.366 -5.282 1.00 0.00 H new ATOM 0 HH TYR B 17 -2.914 -1.238 -7.484 1.00 0.00 H new ATOM 1123 N ARG B 18 -2.372 4.382 -0.193 1.00 0.00 N ATOM 1124 CA ARG B 18 -2.814 5.059 1.028 1.00 0.00 C ATOM 1125 C ARG B 18 -2.567 6.578 1.000 1.00 0.00 C ATOM 1126 O ARG B 18 -3.311 7.320 1.637 1.00 0.00 O ATOM 1127 CB ARG B 18 -2.198 4.386 2.269 1.00 0.00 C ATOM 1128 CG ARG B 18 -3.252 3.902 3.279 1.00 0.00 C ATOM 1129 CD ARG B 18 -4.039 5.056 3.915 1.00 0.00 C ATOM 1130 NE ARG B 18 -5.015 4.568 4.909 1.00 0.00 N ATOM 1131 CZ ARG B 18 -5.612 5.287 5.845 1.00 0.00 C ATOM 1132 NH1 ARG B 18 -5.373 6.559 6.000 1.00 0.00 N ATOM 1133 NH2 ARG B 18 -6.471 4.736 6.651 1.00 0.00 N ATOM 0 H ARG B 18 -1.591 3.740 -0.056 1.00 0.00 H new ATOM 0 HA ARG B 18 -3.897 4.949 1.086 1.00 0.00 H new ATOM 0 HB2 ARG B 18 -1.591 3.538 1.951 1.00 0.00 H new ATOM 0 HB3 ARG B 18 -1.528 5.090 2.762 1.00 0.00 H new ATOM 0 HG2 ARG B 18 -3.946 3.227 2.778 1.00 0.00 H new ATOM 0 HG3 ARG B 18 -2.760 3.328 4.064 1.00 0.00 H new ATOM 0 HD2 ARG B 18 -3.347 5.748 4.394 1.00 0.00 H new ATOM 0 HD3 ARG B 18 -4.560 5.614 3.137 1.00 0.00 H new ATOM 0 HE ARG B 18 -5.253 3.577 4.870 1.00 0.00 H new ATOM 0 HH11 ARG B 18 -4.707 7.031 5.388 1.00 0.00 H new ATOM 0 HH12 ARG B 18 -5.852 7.082 6.733 1.00 0.00 H new ATOM 0 HH21 ARG B 18 -6.688 3.743 6.564 1.00 0.00 H new ATOM 0 HH22 ARG B 18 -6.928 5.297 7.371 1.00 0.00 H new ATOM 1147 N GLU B 19 -1.572 7.051 0.240 1.00 0.00 N ATOM 1148 CA GLU B 19 -1.311 8.488 0.029 1.00 0.00 C ATOM 1149 C GLU B 19 -2.159 9.095 -1.108 1.00 0.00 C ATOM 1150 O GLU B 19 -2.564 10.252 -1.069 1.00 0.00 O ATOM 1151 CB GLU B 19 0.177 8.662 -0.319 1.00 0.00 C ATOM 1152 CG GLU B 19 0.686 10.068 0.018 1.00 0.00 C ATOM 1153 CD GLU B 19 2.166 10.242 -0.377 1.00 0.00 C ATOM 1154 OE1 GLU B 19 3.056 9.752 0.361 1.00 0.00 O ATOM 1155 OE2 GLU B 19 2.450 10.894 -1.411 1.00 0.00 O ATOM 0 H GLU B 19 -0.916 6.444 -0.253 1.00 0.00 H new ATOM 0 HA GLU B 19 -1.581 9.011 0.947 1.00 0.00 H new ATOM 0 HB2 GLU B 19 0.765 7.923 0.226 1.00 0.00 H new ATOM 0 HB3 GLU B 19 0.326 8.468 -1.381 1.00 0.00 H new ATOM 0 HG2 GLU B 19 0.080 10.810 -0.502 1.00 0.00 H new ATOM 0 HG3 GLU B 19 0.569 10.252 1.086 1.00 0.00 H new ATOM 1162 N ALA B 20 -2.433 8.299 -2.137 1.00 0.00 N ATOM 1163 CA ALA B 20 -3.051 8.676 -3.408 1.00 0.00 C ATOM 1164 C ALA B 20 -4.472 9.237 -3.278 1.00 0.00 C ATOM 1165 O ALA B 20 -4.903 10.033 -4.115 1.00 0.00 O ATOM 1166 CB ALA B 20 -3.045 7.437 -4.308 1.00 0.00 C ATOM 0 H ALA B 20 -2.214 7.303 -2.104 1.00 0.00 H new ATOM 0 HA ALA B 20 -2.468 9.492 -3.834 1.00 0.00 H new ATOM 0 HB1 ALA B 20 -3.500 7.682 -5.268 1.00 0.00 H new ATOM 0 HB2 ALA B 20 -2.018 7.108 -4.467 1.00 0.00 H new ATOM 0 HB3 ALA B 20 -3.613 6.638 -3.831 1.00 0.00 H new ATOM 1172 N LEU B 21 -5.197 8.869 -2.217 1.00 0.00 N ATOM 1173 CA LEU B 21 -6.501 9.448 -1.898 1.00 0.00 C ATOM 1174 C LEU B 21 -6.422 10.947 -1.600 1.00 0.00 C ATOM 1175 O LEU B 21 -7.410 11.647 -1.819 1.00 0.00 O ATOM 1176 CB LEU B 21 -7.136 8.666 -0.738 1.00 0.00 C ATOM 1177 CG LEU B 21 -8.634 8.943 -0.508 1.00 0.00 C ATOM 1178 CD1 LEU B 21 -9.489 8.321 -1.610 1.00 0.00 C ATOM 1179 CD2 LEU B 21 -9.096 8.349 0.820 1.00 0.00 C ATOM 0 H LEU B 21 -4.892 8.157 -1.553 1.00 0.00 H new ATOM 0 HA LEU B 21 -7.139 9.358 -2.778 1.00 0.00 H new ATOM 0 HB2 LEU B 21 -7.003 7.600 -0.923 1.00 0.00 H new ATOM 0 HB3 LEU B 21 -6.594 8.901 0.178 1.00 0.00 H new ATOM 0 HG LEU B 21 -8.756 10.026 -0.507 1.00 0.00 H new ATOM 0 HD11 LEU B 21 -10.541 8.534 -1.419 1.00 0.00 H new ATOM 0 HD12 LEU B 21 -9.203 8.742 -2.574 1.00 0.00 H new ATOM 0 HD13 LEU B 21 -9.335 7.242 -1.625 1.00 0.00 H new ATOM 0 HD21 LEU B 21 -10.157 8.556 0.962 1.00 0.00 H new ATOM 0 HD22 LEU B 21 -8.935 7.271 0.812 1.00 0.00 H new ATOM 0 HD23 LEU B 21 -8.527 8.795 1.636 1.00 0.00 H new ATOM 1191 N GLU B 22 -5.263 11.474 -1.187 1.00 0.00 N ATOM 1192 CA GLU B 22 -5.137 12.926 -0.971 1.00 0.00 C ATOM 1193 C GLU B 22 -5.275 13.736 -2.272 1.00 0.00 C ATOM 1194 O GLU B 22 -5.769 14.867 -2.244 1.00 0.00 O ATOM 1195 CB GLU B 22 -3.817 13.269 -0.269 1.00 0.00 C ATOM 1196 CG GLU B 22 -3.926 13.320 1.263 1.00 0.00 C ATOM 1197 CD GLU B 22 -4.239 11.954 1.909 1.00 0.00 C ATOM 1198 OE1 GLU B 22 -3.289 11.217 2.265 1.00 0.00 O ATOM 1199 OE2 GLU B 22 -5.437 11.645 2.126 1.00 0.00 O ATOM 0 H GLU B 22 -4.417 10.936 -0.999 1.00 0.00 H new ATOM 0 HA GLU B 22 -5.967 13.211 -0.324 1.00 0.00 H new ATOM 0 HB2 GLU B 22 -3.066 12.530 -0.546 1.00 0.00 H new ATOM 0 HB3 GLU B 22 -3.463 14.234 -0.631 1.00 0.00 H new ATOM 0 HG2 GLU B 22 -2.990 13.699 1.672 1.00 0.00 H new ATOM 0 HG3 GLU B 22 -4.706 14.030 1.539 1.00 0.00 H new ATOM 1206 N TYR B 23 -4.905 13.142 -3.409 1.00 0.00 N ATOM 1207 CA TYR B 23 -5.161 13.685 -4.748 1.00 0.00 C ATOM 1208 C TYR B 23 -6.498 13.212 -5.343 1.00 0.00 C ATOM 1209 O TYR B 23 -7.287 14.034 -5.813 1.00 0.00 O ATOM 1210 CB TYR B 23 -4.005 13.294 -5.680 1.00 0.00 C ATOM 1211 CG TYR B 23 -2.727 14.063 -5.406 1.00 0.00 C ATOM 1212 CD1 TYR B 23 -2.588 15.371 -5.912 1.00 0.00 C ATOM 1213 CD2 TYR B 23 -1.694 13.490 -4.638 1.00 0.00 C ATOM 1214 CE1 TYR B 23 -1.417 16.109 -5.654 1.00 0.00 C ATOM 1215 CE2 TYR B 23 -0.520 14.225 -4.378 1.00 0.00 C ATOM 1216 CZ TYR B 23 -0.379 15.536 -4.885 1.00 0.00 C ATOM 1217 OH TYR B 23 0.756 16.243 -4.630 1.00 0.00 O ATOM 0 H TYR B 23 -4.408 12.251 -3.426 1.00 0.00 H new ATOM 0 HA TYR B 23 -5.228 14.769 -4.653 1.00 0.00 H new ATOM 0 HB2 TYR B 23 -3.808 12.227 -5.575 1.00 0.00 H new ATOM 0 HB3 TYR B 23 -4.308 13.463 -6.713 1.00 0.00 H new ATOM 0 HD1 TYR B 23 -3.382 15.808 -6.499 1.00 0.00 H new ATOM 0 HD2 TYR B 23 -1.802 12.488 -4.249 1.00 0.00 H new ATOM 0 HE1 TYR B 23 -1.312 17.111 -6.043 1.00 0.00 H new ATOM 0 HE2 TYR B 23 0.273 13.786 -3.791 1.00 0.00 H new ATOM 0 HH TYR B 23 1.365 15.700 -4.087 1.00 0.00 H new ATOM 1227 N THR B 24 -6.771 11.903 -5.333 1.00 0.00 N ATOM 1228 CA THR B 24 -7.897 11.309 -6.089 1.00 0.00 C ATOM 1229 C THR B 24 -9.257 11.420 -5.397 1.00 0.00 C ATOM 1230 O THR B 24 -10.278 11.451 -6.087 1.00 0.00 O ATOM 1231 CB THR B 24 -7.658 9.825 -6.403 1.00 0.00 C ATOM 1232 OG1 THR B 24 -7.493 9.106 -5.206 1.00 0.00 O ATOM 1233 CG2 THR B 24 -6.432 9.572 -7.279 1.00 0.00 C ATOM 0 H THR B 24 -6.225 11.222 -4.806 1.00 0.00 H new ATOM 0 HA THR B 24 -7.930 11.903 -7.003 1.00 0.00 H new ATOM 0 HB THR B 24 -8.536 9.492 -6.957 1.00 0.00 H new ATOM 0 HG1 THR B 24 -6.599 9.277 -4.842 1.00 0.00 H new ATOM 0 HG21 THR B 24 -6.328 8.502 -7.458 1.00 0.00 H new ATOM 0 HG22 THR B 24 -6.552 10.089 -8.231 1.00 0.00 H new ATOM 0 HG23 THR B 24 -5.541 9.944 -6.774 1.00 0.00 H new ATOM 1241 N HIS B 25 -9.296 11.474 -4.058 1.00 0.00 N ATOM 1242 CA HIS B 25 -10.504 11.481 -3.203 1.00 0.00 C ATOM 1243 C HIS B 25 -11.621 10.472 -3.608 1.00 0.00 C ATOM 1244 O HIS B 25 -12.800 10.705 -3.335 1.00 0.00 O ATOM 1245 CB HIS B 25 -10.991 12.936 -3.035 1.00 0.00 C ATOM 1246 CG HIS B 25 -10.177 13.704 -2.019 1.00 0.00 C ATOM 1247 ND1 HIS B 25 -10.501 13.868 -0.682 1.00 0.00 N ATOM 1248 CD2 HIS B 25 -8.967 14.308 -2.227 1.00 0.00 C ATOM 1249 CE1 HIS B 25 -9.506 14.562 -0.091 1.00 0.00 C ATOM 1250 NE2 HIS B 25 -8.567 14.844 -1.017 1.00 0.00 N ATOM 0 H HIS B 25 -8.439 11.517 -3.506 1.00 0.00 H new ATOM 0 HA HIS B 25 -10.215 11.092 -2.227 1.00 0.00 H new ATOM 0 HB2 HIS B 25 -10.941 13.446 -3.997 1.00 0.00 H new ATOM 0 HB3 HIS B 25 -12.038 12.933 -2.730 1.00 0.00 H new ATOM 0 HD2 HIS B 25 -8.426 14.357 -3.161 1.00 0.00 H new ATOM 0 HE1 HIS B 25 -9.468 14.845 0.951 1.00 0.00 H new ATOM 0 HE2 HIS B 25 -7.706 15.365 -0.852 1.00 0.00 H new ATOM 1259 N ASN B 26 -11.280 9.355 -4.271 1.00 0.00 N ATOM 1260 CA ASN B 26 -12.234 8.415 -4.889 1.00 0.00 C ATOM 1261 C ASN B 26 -12.476 7.141 -4.043 1.00 0.00 C ATOM 1262 O ASN B 26 -11.536 6.609 -3.449 1.00 0.00 O ATOM 1263 CB ASN B 26 -11.729 8.061 -6.307 1.00 0.00 C ATOM 1264 CG ASN B 26 -12.515 8.784 -7.387 1.00 0.00 C ATOM 1265 OD1 ASN B 26 -13.398 8.222 -8.018 1.00 0.00 O ATOM 1266 ND2 ASN B 26 -12.248 10.047 -7.620 1.00 0.00 N ATOM 0 H ASN B 26 -10.308 9.072 -4.396 1.00 0.00 H new ATOM 0 HA ASN B 26 -13.205 8.907 -4.946 1.00 0.00 H new ATOM 0 HB2 ASN B 26 -10.674 8.320 -6.391 1.00 0.00 H new ATOM 0 HB3 ASN B 26 -11.806 6.985 -6.461 1.00 0.00 H new ATOM 0 HD21 ASN B 26 -12.777 10.558 -8.327 1.00 0.00 H new ATOM 0 HD22 ASN B 26 -11.511 10.518 -7.094 1.00 0.00 H new ATOM 1273 N PRO B 27 -13.705 6.578 -4.043 1.00 0.00 N ATOM 1274 CA PRO B 27 -14.039 5.374 -3.270 1.00 0.00 C ATOM 1275 C PRO B 27 -13.420 4.087 -3.849 1.00 0.00 C ATOM 1276 O PRO B 27 -13.375 3.055 -3.190 1.00 0.00 O ATOM 1277 CB PRO B 27 -15.570 5.300 -3.294 1.00 0.00 C ATOM 1278 CG PRO B 27 -15.926 5.936 -4.635 1.00 0.00 C ATOM 1279 CD PRO B 27 -14.880 7.039 -4.774 1.00 0.00 C ATOM 0 HA PRO B 27 -13.632 5.444 -2.261 1.00 0.00 H new ATOM 0 HB2 PRO B 27 -15.925 4.271 -3.229 1.00 0.00 H new ATOM 0 HB3 PRO B 27 -16.013 5.844 -2.460 1.00 0.00 H new ATOM 0 HG2 PRO B 27 -15.867 5.217 -5.452 1.00 0.00 H new ATOM 0 HG3 PRO B 27 -16.940 6.337 -4.636 1.00 0.00 H new ATOM 0 HD2 PRO B 27 -14.641 7.219 -5.822 1.00 0.00 H new ATOM 0 HD3 PRO B 27 -15.249 7.980 -4.365 1.00 0.00 H new ATOM 1287 N VAL B 28 -12.919 4.138 -5.082 1.00 0.00 N ATOM 1288 CA VAL B 28 -12.268 3.020 -5.788 1.00 0.00 C ATOM 1289 C VAL B 28 -10.981 2.551 -5.106 1.00 0.00 C ATOM 1290 O VAL B 28 -10.667 1.362 -5.133 1.00 0.00 O ATOM 1291 CB VAL B 28 -12.022 3.413 -7.252 1.00 0.00 C ATOM 1292 CG1 VAL B 28 -11.656 2.194 -8.083 1.00 0.00 C ATOM 1293 CG2 VAL B 28 -13.250 4.052 -7.926 1.00 0.00 C ATOM 0 H VAL B 28 -12.953 4.989 -5.644 1.00 0.00 H new ATOM 0 HA VAL B 28 -12.944 2.165 -5.753 1.00 0.00 H new ATOM 0 HB VAL B 28 -11.211 4.140 -7.217 1.00 0.00 H new ATOM 0 HG11 VAL B 28 -11.486 2.496 -9.117 1.00 0.00 H new ATOM 0 HG12 VAL B 28 -10.749 1.740 -7.684 1.00 0.00 H new ATOM 0 HG13 VAL B 28 -12.470 1.470 -8.046 1.00 0.00 H new ATOM 0 HG21 VAL B 28 -13.008 4.306 -8.958 1.00 0.00 H new ATOM 0 HG22 VAL B 28 -14.081 3.347 -7.911 1.00 0.00 H new ATOM 0 HG23 VAL B 28 -13.532 4.956 -7.387 1.00 0.00 H new ATOM 1303 N LEU B 29 -10.270 3.427 -4.396 1.00 0.00 N ATOM 1304 CA LEU B 29 -9.124 3.034 -3.580 1.00 0.00 C ATOM 1305 C LEU B 29 -9.545 2.114 -2.416 1.00 0.00 C ATOM 1306 O LEU B 29 -8.798 1.203 -2.062 1.00 0.00 O ATOM 1307 CB LEU B 29 -8.372 4.291 -3.125 1.00 0.00 C ATOM 1308 CG LEU B 29 -7.647 5.010 -4.282 1.00 0.00 C ATOM 1309 CD1 LEU B 29 -8.526 6.018 -5.027 1.00 0.00 C ATOM 1310 CD2 LEU B 29 -6.431 5.765 -3.759 1.00 0.00 C ATOM 0 H LEU B 29 -10.473 4.426 -4.371 1.00 0.00 H new ATOM 0 HA LEU B 29 -8.436 2.437 -4.178 1.00 0.00 H new ATOM 0 HB2 LEU B 29 -9.076 4.981 -2.660 1.00 0.00 H new ATOM 0 HB3 LEU B 29 -7.644 4.016 -2.362 1.00 0.00 H new ATOM 0 HG LEU B 29 -7.365 4.220 -4.978 1.00 0.00 H new ATOM 0 HD11 LEU B 29 -7.949 6.483 -5.826 1.00 0.00 H new ATOM 0 HD12 LEU B 29 -9.387 5.504 -5.454 1.00 0.00 H new ATOM 0 HD13 LEU B 29 -8.869 6.785 -4.333 1.00 0.00 H new ATOM 0 HD21 LEU B 29 -5.930 6.267 -4.587 1.00 0.00 H new ATOM 0 HD22 LEU B 29 -6.750 6.506 -3.026 1.00 0.00 H new ATOM 0 HD23 LEU B 29 -5.741 5.063 -3.290 1.00 0.00 H new ATOM 1322 N ALA B 30 -10.786 2.252 -1.925 1.00 0.00 N ATOM 1323 CA ALA B 30 -11.430 1.335 -0.974 1.00 0.00 C ATOM 1324 C ALA B 30 -11.889 -0.008 -1.604 1.00 0.00 C ATOM 1325 O ALA B 30 -12.572 -0.797 -0.948 1.00 0.00 O ATOM 1326 CB ALA B 30 -12.581 2.077 -0.270 1.00 0.00 C ATOM 0 H ALA B 30 -11.389 3.032 -2.188 1.00 0.00 H new ATOM 0 HA ALA B 30 -10.683 1.037 -0.238 1.00 0.00 H new ATOM 0 HB1 ALA B 30 -13.067 1.406 0.439 1.00 0.00 H new ATOM 0 HB2 ALA B 30 -12.185 2.942 0.262 1.00 0.00 H new ATOM 0 HB3 ALA B 30 -13.307 2.409 -1.012 1.00 0.00 H new ATOM 1332 N LYS B 31 -11.487 -0.288 -2.854 1.00 0.00 N ATOM 1333 CA LYS B 31 -11.493 -1.599 -3.515 1.00 0.00 C ATOM 1334 C LYS B 31 -10.074 -2.025 -3.895 1.00 0.00 C ATOM 1335 O LYS B 31 -9.680 -3.151 -3.613 1.00 0.00 O ATOM 1336 CB LYS B 31 -12.387 -1.591 -4.774 1.00 0.00 C ATOM 1337 CG LYS B 31 -13.833 -1.107 -4.587 1.00 0.00 C ATOM 1338 CD LYS B 31 -14.667 -2.029 -3.687 1.00 0.00 C ATOM 1339 CE LYS B 31 -16.105 -1.505 -3.616 1.00 0.00 C ATOM 1340 NZ LYS B 31 -16.954 -2.350 -2.736 1.00 0.00 N ATOM 0 H LYS B 31 -11.127 0.443 -3.467 1.00 0.00 H new ATOM 0 HA LYS B 31 -11.902 -2.317 -2.804 1.00 0.00 H new ATOM 0 HB2 LYS B 31 -11.911 -0.961 -5.526 1.00 0.00 H new ATOM 0 HB3 LYS B 31 -12.416 -2.603 -5.178 1.00 0.00 H new ATOM 0 HG2 LYS B 31 -13.821 -0.105 -4.158 1.00 0.00 H new ATOM 0 HG3 LYS B 31 -14.313 -1.031 -5.563 1.00 0.00 H new ATOM 0 HD2 LYS B 31 -14.658 -3.045 -4.080 1.00 0.00 H new ATOM 0 HD3 LYS B 31 -14.233 -2.070 -2.688 1.00 0.00 H new ATOM 0 HE2 LYS B 31 -16.101 -0.481 -3.244 1.00 0.00 H new ATOM 0 HE3 LYS B 31 -16.533 -1.478 -4.618 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 -17.920 -1.965 -2.712 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 -16.977 -3.322 -3.105 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 -16.559 -2.355 -1.774 1.00 0.00 H new ATOM 1354 N ILE B 32 -9.282 -1.111 -4.463 1.00 0.00 N ATOM 1355 CA ILE B 32 -7.905 -1.390 -4.916 1.00 0.00 C ATOM 1356 C ILE B 32 -7.000 -1.783 -3.745 1.00 0.00 C ATOM 1357 O ILE B 32 -6.624 -2.951 -3.640 1.00 0.00 O ATOM 1358 CB ILE B 32 -7.337 -0.229 -5.757 1.00 0.00 C ATOM 1359 CG1 ILE B 32 -8.180 0.050 -7.024 1.00 0.00 C ATOM 1360 CG2 ILE B 32 -5.908 -0.581 -6.199 1.00 0.00 C ATOM 1361 CD1 ILE B 32 -7.941 1.465 -7.560 1.00 0.00 C ATOM 0 H ILE B 32 -9.575 -0.148 -4.625 1.00 0.00 H new ATOM 0 HA ILE B 32 -7.939 -2.254 -5.580 1.00 0.00 H new ATOM 0 HB ILE B 32 -7.356 0.664 -5.132 1.00 0.00 H new ATOM 0 HG12 ILE B 32 -7.931 -0.679 -7.795 1.00 0.00 H new ATOM 0 HG13 ILE B 32 -9.238 -0.079 -6.794 1.00 0.00 H new ATOM 0 HG21 ILE B 32 -5.500 0.236 -6.794 1.00 0.00 H new ATOM 0 HG22 ILE B 32 -5.283 -0.737 -5.320 1.00 0.00 H new ATOM 0 HG23 ILE B 32 -5.926 -1.492 -6.797 1.00 0.00 H new ATOM 0 HD11 ILE B 32 -8.550 1.625 -8.450 1.00 0.00 H new ATOM 0 HD12 ILE B 32 -8.215 2.194 -6.797 1.00 0.00 H new ATOM 0 HD13 ILE B 32 -6.888 1.585 -7.815 1.00 0.00 H new ATOM 1373 N LEU B 33 -6.682 -0.853 -2.837 1.00 0.00 N ATOM 1374 CA LEU B 33 -5.823 -1.167 -1.686 1.00 0.00 C ATOM 1375 C LEU B 33 -6.520 -2.094 -0.687 1.00 0.00 C ATOM 1376 O LEU B 33 -5.855 -2.857 0.010 1.00 0.00 O ATOM 1377 CB LEU B 33 -5.226 0.113 -1.071 1.00 0.00 C ATOM 1378 CG LEU B 33 -6.051 0.855 -0.002 1.00 0.00 C ATOM 1379 CD1 LEU B 33 -5.801 0.337 1.417 1.00 0.00 C ATOM 1380 CD2 LEU B 33 -5.694 2.343 0.008 1.00 0.00 C ATOM 0 H LEU B 33 -7.002 0.115 -2.874 1.00 0.00 H new ATOM 0 HA LEU B 33 -4.967 -1.743 -2.039 1.00 0.00 H new ATOM 0 HB2 LEU B 33 -4.264 -0.146 -0.630 1.00 0.00 H new ATOM 0 HB3 LEU B 33 -5.026 0.812 -1.883 1.00 0.00 H new ATOM 0 HG LEU B 33 -7.094 0.684 -0.270 1.00 0.00 H new ATOM 0 HD11 LEU B 33 -6.411 0.900 2.123 1.00 0.00 H new ATOM 0 HD12 LEU B 33 -6.066 -0.719 1.471 1.00 0.00 H new ATOM 0 HD13 LEU B 33 -4.748 0.460 1.669 1.00 0.00 H new ATOM 0 HD21 LEU B 33 -6.285 2.854 0.768 1.00 0.00 H new ATOM 0 HD22 LEU B 33 -4.634 2.461 0.232 1.00 0.00 H new ATOM 0 HD23 LEU B 33 -5.909 2.775 -0.969 1.00 0.00 H new ATOM 1392 N GLU B 34 -7.858 -2.082 -0.673 1.00 0.00 N ATOM 1393 CA GLU B 34 -8.651 -3.047 0.089 1.00 0.00 C ATOM 1394 C GLU B 34 -8.333 -4.497 -0.319 1.00 0.00 C ATOM 1395 O GLU B 34 -8.224 -5.364 0.549 1.00 0.00 O ATOM 1396 CB GLU B 34 -10.142 -2.722 -0.070 1.00 0.00 C ATOM 1397 CG GLU B 34 -11.107 -3.649 0.688 1.00 0.00 C ATOM 1398 CD GLU B 34 -10.932 -3.632 2.222 1.00 0.00 C ATOM 1399 OE1 GLU B 34 -10.581 -2.575 2.802 1.00 0.00 O ATOM 1400 OE2 GLU B 34 -11.191 -4.677 2.867 1.00 0.00 O ATOM 0 H GLU B 34 -8.418 -1.404 -1.189 1.00 0.00 H new ATOM 0 HA GLU B 34 -8.386 -2.963 1.143 1.00 0.00 H new ATOM 0 HB2 GLU B 34 -10.311 -1.699 0.265 1.00 0.00 H new ATOM 0 HB3 GLU B 34 -10.392 -2.755 -1.130 1.00 0.00 H new ATOM 0 HG2 GLU B 34 -12.131 -3.363 0.448 1.00 0.00 H new ATOM 0 HG3 GLU B 34 -10.969 -4.669 0.330 1.00 0.00 H new ATOM 1407 N ASP B 35 -8.123 -4.770 -1.614 1.00 0.00 N ATOM 1408 CA ASP B 35 -7.735 -6.102 -2.072 1.00 0.00 C ATOM 1409 C ASP B 35 -6.251 -6.425 -1.906 1.00 0.00 C ATOM 1410 O ASP B 35 -5.931 -7.511 -1.422 1.00 0.00 O ATOM 1411 CB ASP B 35 -8.132 -6.290 -3.529 1.00 0.00 C ATOM 1412 CG ASP B 35 -9.641 -6.282 -3.818 1.00 0.00 C ATOM 1413 OD1 ASP B 35 -10.441 -6.705 -2.939 1.00 0.00 O ATOM 1414 OD2 ASP B 35 -9.994 -5.901 -4.961 1.00 0.00 O ATOM 0 H ASP B 35 -8.217 -4.081 -2.361 1.00 0.00 H new ATOM 0 HA ASP B 35 -8.271 -6.797 -1.427 1.00 0.00 H new ATOM 0 HB2 ASP B 35 -7.664 -5.501 -4.118 1.00 0.00 H new ATOM 0 HB3 ASP B 35 -7.719 -7.236 -3.879 1.00 0.00 H new ATOM 1419 N GLU B 36 -5.329 -5.510 -2.227 1.00 0.00 N ATOM 1420 CA GLU B 36 -3.895 -5.744 -2.011 1.00 0.00 C ATOM 1421 C GLU B 36 -3.551 -6.082 -0.551 1.00 0.00 C ATOM 1422 O GLU B 36 -2.585 -6.800 -0.296 1.00 0.00 O ATOM 1423 CB GLU B 36 -3.097 -4.502 -2.419 1.00 0.00 C ATOM 1424 CG GLU B 36 -3.318 -3.968 -3.835 1.00 0.00 C ATOM 1425 CD GLU B 36 -3.002 -4.954 -4.952 1.00 0.00 C ATOM 1426 OE1 GLU B 36 -2.349 -6.005 -4.753 1.00 0.00 O ATOM 1427 OE2 GLU B 36 -3.412 -4.724 -6.112 1.00 0.00 O ATOM 0 H GLU B 36 -5.549 -4.602 -2.637 1.00 0.00 H new ATOM 0 HA GLU B 36 -3.630 -6.604 -2.626 1.00 0.00 H new ATOM 0 HB2 GLU B 36 -3.331 -3.703 -1.715 1.00 0.00 H new ATOM 0 HB3 GLU B 36 -2.037 -4.728 -2.304 1.00 0.00 H new ATOM 0 HG2 GLU B 36 -4.358 -3.655 -3.931 1.00 0.00 H new ATOM 0 HG3 GLU B 36 -2.703 -3.078 -3.972 1.00 0.00 H new ATOM 1434 N GLU B 37 -4.367 -5.625 0.405 1.00 0.00 N ATOM 1435 CA GLU B 37 -4.180 -5.918 1.835 1.00 0.00 C ATOM 1436 C GLU B 37 -4.359 -7.418 2.135 1.00 0.00 C ATOM 1437 O GLU B 37 -3.705 -7.973 3.021 1.00 0.00 O ATOM 1438 CB GLU B 37 -5.169 -5.071 2.653 1.00 0.00 C ATOM 1439 CG GLU B 37 -4.848 -5.075 4.153 1.00 0.00 C ATOM 1440 CD GLU B 37 -5.806 -4.152 4.933 1.00 0.00 C ATOM 1441 OE1 GLU B 37 -5.514 -2.940 5.068 1.00 0.00 O ATOM 1442 OE2 GLU B 37 -6.845 -4.641 5.442 1.00 0.00 O ATOM 0 H GLU B 37 -5.179 -5.039 0.211 1.00 0.00 H new ATOM 0 HA GLU B 37 -3.159 -5.660 2.117 1.00 0.00 H new ATOM 0 HB2 GLU B 37 -5.154 -4.045 2.285 1.00 0.00 H new ATOM 0 HB3 GLU B 37 -6.179 -5.450 2.500 1.00 0.00 H new ATOM 0 HG2 GLU B 37 -4.923 -6.091 4.540 1.00 0.00 H new ATOM 0 HG3 GLU B 37 -3.819 -4.750 4.308 1.00 0.00 H new ATOM 1449 N LYS B 38 -5.218 -8.079 1.351 1.00 0.00 N ATOM 1450 CA LYS B 38 -5.482 -9.521 1.387 1.00 0.00 C ATOM 1451 C LYS B 38 -4.484 -10.291 0.533 1.00 0.00 C ATOM 1452 O LYS B 38 -3.987 -11.310 0.991 1.00 0.00 O ATOM 1453 CB LYS B 38 -6.914 -9.808 0.895 1.00 0.00 C ATOM 1454 CG LYS B 38 -7.971 -9.064 1.722 1.00 0.00 C ATOM 1455 CD LYS B 38 -9.414 -9.237 1.222 1.00 0.00 C ATOM 1456 CE LYS B 38 -9.583 -8.494 -0.106 1.00 0.00 C ATOM 1457 NZ LYS B 38 -10.994 -8.314 -0.522 1.00 0.00 N ATOM 0 H LYS B 38 -5.773 -7.601 0.642 1.00 0.00 H new ATOM 0 HA LYS B 38 -5.375 -9.854 2.420 1.00 0.00 H new ATOM 0 HB2 LYS B 38 -7.002 -9.516 -0.151 1.00 0.00 H new ATOM 0 HB3 LYS B 38 -7.105 -10.880 0.944 1.00 0.00 H new ATOM 0 HG2 LYS B 38 -7.914 -9.409 2.754 1.00 0.00 H new ATOM 0 HG3 LYS B 38 -7.727 -8.002 1.727 1.00 0.00 H new ATOM 0 HD2 LYS B 38 -9.641 -10.295 1.091 1.00 0.00 H new ATOM 0 HD3 LYS B 38 -10.116 -8.849 1.960 1.00 0.00 H new ATOM 0 HE2 LYS B 38 -9.111 -7.515 -0.025 1.00 0.00 H new ATOM 0 HE3 LYS B 38 -9.052 -9.040 -0.886 1.00 0.00 H new ATOM 0 HZ1 LYS B 38 -11.029 -7.760 -1.401 1.00 0.00 H new ATOM 0 HZ2 LYS B 38 -11.430 -9.244 -0.682 1.00 0.00 H new ATOM 0 HZ3 LYS B 38 -11.515 -7.811 0.225 1.00 0.00 H new ATOM 1471 N HIS B 39 -4.158 -9.804 -0.669 1.00 0.00 N ATOM 1472 CA HIS B 39 -3.382 -10.484 -1.700 1.00 0.00 C ATOM 1473 C HIS B 39 -2.071 -11.116 -1.217 1.00 0.00 C ATOM 1474 O HIS B 39 -1.818 -12.282 -1.519 1.00 0.00 O ATOM 1475 CB HIS B 39 -3.098 -9.447 -2.787 1.00 0.00 C ATOM 1476 CG HIS B 39 -4.219 -9.119 -3.735 1.00 0.00 C ATOM 1477 ND1 HIS B 39 -4.054 -8.326 -4.872 1.00 0.00 N ATOM 1478 CD2 HIS B 39 -5.526 -9.500 -3.636 1.00 0.00 C ATOM 1479 CE1 HIS B 39 -5.278 -8.243 -5.427 1.00 0.00 C ATOM 1480 NE2 HIS B 39 -6.169 -8.970 -4.728 1.00 0.00 N ATOM 0 H HIS B 39 -4.448 -8.870 -0.961 1.00 0.00 H new ATOM 0 HA HIS B 39 -3.969 -11.329 -2.059 1.00 0.00 H new ATOM 0 HB2 HIS B 39 -2.787 -8.523 -2.299 1.00 0.00 H new ATOM 0 HB3 HIS B 39 -2.250 -9.798 -3.375 1.00 0.00 H new ATOM 0 HD1 HIS B 39 -3.191 -7.900 -5.210 1.00 0.00 H new ATOM 0 HD2 HIS B 39 -5.967 -10.100 -2.854 1.00 0.00 H new ATOM 0 HE1 HIS B 39 -5.513 -7.671 -6.312 1.00 0.00 H new ATOM 0 HE2 HIS B 39 -7.151 -9.104 -4.968 1.00 0.00 H new ATOM 1488 N ILE B 40 -1.258 -10.378 -0.452 1.00 0.00 N ATOM 1489 CA ILE B 40 0.024 -10.897 0.075 1.00 0.00 C ATOM 1490 C ILE B 40 -0.205 -12.093 1.005 1.00 0.00 C ATOM 1491 O ILE B 40 0.452 -13.124 0.864 1.00 0.00 O ATOM 1492 CB ILE B 40 0.834 -9.795 0.800 1.00 0.00 C ATOM 1493 CG1 ILE B 40 1.145 -8.639 -0.169 1.00 0.00 C ATOM 1494 CG2 ILE B 40 2.157 -10.351 1.368 1.00 0.00 C ATOM 1495 CD1 ILE B 40 1.820 -7.434 0.496 1.00 0.00 C ATOM 0 H ILE B 40 -1.460 -9.416 -0.180 1.00 0.00 H new ATOM 0 HA ILE B 40 0.610 -11.233 -0.781 1.00 0.00 H new ATOM 0 HB ILE B 40 0.226 -9.430 1.628 1.00 0.00 H new ATOM 0 HG12 ILE B 40 1.790 -9.010 -0.966 1.00 0.00 H new ATOM 0 HG13 ILE B 40 0.217 -8.310 -0.637 1.00 0.00 H new ATOM 0 HG21 ILE B 40 2.702 -9.552 1.871 1.00 0.00 H new ATOM 0 HG22 ILE B 40 1.941 -11.147 2.081 1.00 0.00 H new ATOM 0 HG23 ILE B 40 2.764 -10.748 0.554 1.00 0.00 H new ATOM 0 HD11 ILE B 40 2.006 -6.663 -0.252 1.00 0.00 H new ATOM 0 HD12 ILE B 40 1.169 -7.036 1.274 1.00 0.00 H new ATOM 0 HD13 ILE B 40 2.766 -7.746 0.939 1.00 0.00 H new ATOM 1507 N GLU B 41 -1.154 -11.988 1.936 1.00 0.00 N ATOM 1508 CA GLU B 41 -1.480 -13.096 2.837 1.00 0.00 C ATOM 1509 C GLU B 41 -2.173 -14.244 2.089 1.00 0.00 C ATOM 1510 O GLU B 41 -1.842 -15.405 2.305 1.00 0.00 O ATOM 1511 CB GLU B 41 -2.304 -12.581 4.028 1.00 0.00 C ATOM 1512 CG GLU B 41 -2.186 -13.525 5.232 1.00 0.00 C ATOM 1513 CD GLU B 41 -2.860 -12.921 6.480 1.00 0.00 C ATOM 1514 OE1 GLU B 41 -2.194 -12.163 7.229 1.00 0.00 O ATOM 1515 OE2 GLU B 41 -4.055 -13.207 6.732 1.00 0.00 O ATOM 0 H GLU B 41 -1.711 -11.147 2.087 1.00 0.00 H new ATOM 0 HA GLU B 41 -0.554 -13.512 3.233 1.00 0.00 H new ATOM 0 HB2 GLU B 41 -1.961 -11.585 4.308 1.00 0.00 H new ATOM 0 HB3 GLU B 41 -3.350 -12.487 3.737 1.00 0.00 H new ATOM 0 HG2 GLU B 41 -2.648 -14.483 4.993 1.00 0.00 H new ATOM 0 HG3 GLU B 41 -1.135 -13.722 5.442 1.00 0.00 H new ATOM 1522 N TRP B 42 -3.053 -13.929 1.136 1.00 0.00 N ATOM 1523 CA TRP B 42 -3.714 -14.879 0.235 1.00 0.00 C ATOM 1524 C TRP B 42 -2.747 -15.800 -0.520 1.00 0.00 C ATOM 1525 O TRP B 42 -2.979 -17.011 -0.544 1.00 0.00 O ATOM 1526 CB TRP B 42 -4.630 -14.075 -0.705 1.00 0.00 C ATOM 1527 CG TRP B 42 -6.000 -13.775 -0.191 1.00 0.00 C ATOM 1528 CD1 TRP B 42 -6.498 -14.111 1.022 1.00 0.00 C ATOM 1529 CD2 TRP B 42 -7.075 -13.078 -0.889 1.00 0.00 C ATOM 1530 NE1 TRP B 42 -7.817 -13.704 1.104 1.00 0.00 N ATOM 1531 CE2 TRP B 42 -8.230 -13.076 -0.054 1.00 0.00 C ATOM 1532 CE3 TRP B 42 -7.179 -12.438 -2.142 1.00 0.00 C ATOM 1533 CZ2 TRP B 42 -9.438 -12.488 -0.459 1.00 0.00 C ATOM 1534 CZ3 TRP B 42 -8.372 -11.811 -2.543 1.00 0.00 C ATOM 1535 CH2 TRP B 42 -9.504 -11.842 -1.708 1.00 0.00 C ATOM 0 H TRP B 42 -3.337 -12.965 0.963 1.00 0.00 H new ATOM 0 HA TRP B 42 -4.306 -15.574 0.831 1.00 0.00 H new ATOM 0 HB2 TRP B 42 -4.137 -13.131 -0.939 1.00 0.00 H new ATOM 0 HB3 TRP B 42 -4.728 -14.625 -1.641 1.00 0.00 H new ATOM 0 HD1 TRP B 42 -5.951 -14.618 1.803 1.00 0.00 H new ATOM 0 HE1 TRP B 42 -8.412 -13.850 1.920 1.00 0.00 H new ATOM 0 HE3 TRP B 42 -6.327 -12.429 -2.805 1.00 0.00 H new ATOM 0 HZ2 TRP B 42 -10.307 -12.531 0.180 1.00 0.00 H new ATOM 0 HZ3 TRP B 42 -8.420 -11.304 -3.495 1.00 0.00 H new ATOM 0 HH2 TRP B 42 -10.423 -11.371 -2.025 1.00 0.00 H new ATOM 1546 N LEU B 43 -1.647 -15.280 -1.075 1.00 0.00 N ATOM 1547 CA LEU B 43 -0.628 -16.126 -1.714 1.00 0.00 C ATOM 1548 C LEU B 43 0.377 -16.747 -0.725 1.00 0.00 C ATOM 1549 O LEU B 43 0.891 -17.831 -0.992 1.00 0.00 O ATOM 1550 CB LEU B 43 0.021 -15.404 -2.900 1.00 0.00 C ATOM 1551 CG LEU B 43 0.836 -14.170 -2.504 1.00 0.00 C ATOM 1552 CD1 LEU B 43 2.319 -14.484 -2.347 1.00 0.00 C ATOM 1553 CD2 LEU B 43 0.705 -13.080 -3.556 1.00 0.00 C ATOM 0 H LEU B 43 -1.438 -14.282 -1.096 1.00 0.00 H new ATOM 0 HA LEU B 43 -1.145 -16.994 -2.123 1.00 0.00 H new ATOM 0 HB2 LEU B 43 0.671 -16.103 -3.427 1.00 0.00 H new ATOM 0 HB3 LEU B 43 -0.758 -15.103 -3.600 1.00 0.00 H new ATOM 0 HG LEU B 43 0.435 -13.837 -1.547 1.00 0.00 H new ATOM 0 HD11 LEU B 43 2.855 -13.578 -2.066 1.00 0.00 H new ATOM 0 HD12 LEU B 43 2.451 -15.239 -1.572 1.00 0.00 H new ATOM 0 HD13 LEU B 43 2.713 -14.860 -3.291 1.00 0.00 H new ATOM 0 HD21 LEU B 43 1.292 -12.212 -3.255 1.00 0.00 H new ATOM 0 HD22 LEU B 43 1.071 -13.452 -4.513 1.00 0.00 H new ATOM 0 HD23 LEU B 43 -0.342 -12.794 -3.655 1.00 0.00 H new ATOM 1565 N GLU B 44 0.630 -16.133 0.436 1.00 0.00 N ATOM 1566 CA GLU B 44 1.498 -16.730 1.465 1.00 0.00 C ATOM 1567 C GLU B 44 0.826 -17.903 2.211 1.00 0.00 C ATOM 1568 O GLU B 44 1.507 -18.871 2.550 1.00 0.00 O ATOM 1569 CB GLU B 44 2.003 -15.652 2.440 1.00 0.00 C ATOM 1570 CG GLU B 44 3.274 -16.112 3.173 1.00 0.00 C ATOM 1571 CD GLU B 44 3.849 -15.063 4.154 1.00 0.00 C ATOM 1572 OE1 GLU B 44 3.118 -14.155 4.619 1.00 0.00 O ATOM 1573 OE2 GLU B 44 5.053 -15.167 4.497 1.00 0.00 O ATOM 0 H GLU B 44 0.247 -15.222 0.690 1.00 0.00 H new ATOM 0 HA GLU B 44 2.358 -17.157 0.949 1.00 0.00 H new ATOM 0 HB2 GLU B 44 2.209 -14.732 1.893 1.00 0.00 H new ATOM 0 HB3 GLU B 44 1.224 -15.423 3.167 1.00 0.00 H new ATOM 0 HG2 GLU B 44 3.053 -17.026 3.724 1.00 0.00 H new ATOM 0 HG3 GLU B 44 4.037 -16.361 2.435 1.00 0.00 H new ATOM 1580 N THR B 45 -0.503 -17.895 2.401 1.00 0.00 N ATOM 1581 CA THR B 45 -1.268 -19.026 2.973 1.00 0.00 C ATOM 1582 C THR B 45 -1.114 -20.326 2.160 1.00 0.00 C ATOM 1583 O THR B 45 -1.225 -21.422 2.712 1.00 0.00 O ATOM 1584 CB THR B 45 -2.753 -18.631 3.143 1.00 0.00 C ATOM 1585 OG1 THR B 45 -2.871 -17.633 4.138 1.00 0.00 O ATOM 1586 CG2 THR B 45 -3.683 -19.761 3.589 1.00 0.00 C ATOM 0 H THR B 45 -1.088 -17.095 2.160 1.00 0.00 H new ATOM 0 HA THR B 45 -0.848 -19.241 3.956 1.00 0.00 H new ATOM 0 HB THR B 45 -3.056 -18.307 2.147 1.00 0.00 H new ATOM 0 HG1 THR B 45 -2.581 -16.771 3.773 1.00 0.00 H new ATOM 0 HG21 THR B 45 -4.701 -19.381 3.679 1.00 0.00 H new ATOM 0 HG22 THR B 45 -3.659 -20.564 2.852 1.00 0.00 H new ATOM 0 HG23 THR B 45 -3.353 -20.144 4.554 1.00 0.00 H new ATOM 1594 N ILE B 46 -0.786 -20.235 0.865 1.00 0.00 N ATOM 1595 CA ILE B 46 -0.471 -21.395 0.010 1.00 0.00 C ATOM 1596 C ILE B 46 0.844 -22.089 0.428 1.00 0.00 C ATOM 1597 O ILE B 46 0.990 -23.302 0.264 1.00 0.00 O ATOM 1598 CB ILE B 46 -0.404 -20.956 -1.475 1.00 0.00 C ATOM 1599 CG1 ILE B 46 -1.626 -20.123 -1.932 1.00 0.00 C ATOM 1600 CG2 ILE B 46 -0.224 -22.162 -2.411 1.00 0.00 C ATOM 1601 CD1 ILE B 46 -2.998 -20.759 -1.677 1.00 0.00 C ATOM 0 H ILE B 46 -0.730 -19.344 0.372 1.00 0.00 H new ATOM 0 HA ILE B 46 -1.271 -22.124 0.137 1.00 0.00 H new ATOM 0 HB ILE B 46 0.471 -20.309 -1.541 1.00 0.00 H new ATOM 0 HG12 ILE B 46 -1.594 -19.158 -1.427 1.00 0.00 H new ATOM 0 HG13 ILE B 46 -1.530 -19.927 -3.000 1.00 0.00 H new ATOM 0 HG21 ILE B 46 -0.181 -21.817 -3.444 1.00 0.00 H new ATOM 0 HG22 ILE B 46 0.702 -22.680 -2.163 1.00 0.00 H new ATOM 0 HG23 ILE B 46 -1.065 -22.845 -2.291 1.00 0.00 H new ATOM 0 HD11 ILE B 46 -3.781 -20.091 -2.035 1.00 0.00 H new ATOM 0 HD12 ILE B 46 -3.062 -21.710 -2.206 1.00 0.00 H new ATOM 0 HD13 ILE B 46 -3.127 -20.929 -0.608 1.00 0.00 H new ATOM 1613 N LEU B 47 1.801 -21.334 0.981 1.00 0.00 N ATOM 1614 CA LEU B 47 3.172 -21.787 1.257 1.00 0.00 C ATOM 1615 C LEU B 47 3.342 -22.486 2.622 1.00 0.00 C ATOM 1616 O LEU B 47 4.381 -23.106 2.867 1.00 0.00 O ATOM 1617 CB LEU B 47 4.133 -20.587 1.111 1.00 0.00 C ATOM 1618 CG LEU B 47 4.119 -19.930 -0.285 1.00 0.00 C ATOM 1619 CD1 LEU B 47 5.041 -18.710 -0.306 1.00 0.00 C ATOM 1620 CD2 LEU B 47 4.577 -20.903 -1.374 1.00 0.00 C ATOM 0 H LEU B 47 1.640 -20.365 1.257 1.00 0.00 H new ATOM 0 HA LEU B 47 3.416 -22.556 0.524 1.00 0.00 H new ATOM 0 HB2 LEU B 47 3.873 -19.835 1.856 1.00 0.00 H new ATOM 0 HB3 LEU B 47 5.147 -20.919 1.333 1.00 0.00 H new ATOM 0 HG LEU B 47 3.090 -19.632 -0.488 1.00 0.00 H new ATOM 0 HD11 LEU B 47 5.022 -18.256 -1.297 1.00 0.00 H new ATOM 0 HD12 LEU B 47 4.701 -17.984 0.432 1.00 0.00 H new ATOM 0 HD13 LEU B 47 6.059 -19.019 -0.068 1.00 0.00 H new ATOM 0 HD21 LEU B 47 4.553 -20.403 -2.342 1.00 0.00 H new ATOM 0 HD22 LEU B 47 5.593 -21.235 -1.162 1.00 0.00 H new ATOM 0 HD23 LEU B 47 3.911 -21.766 -1.395 1.00 0.00 H new ATOM 1632 N GLY B 48 2.332 -22.435 3.495 1.00 0.00 N ATOM 1633 CA GLY B 48 2.288 -23.196 4.748 1.00 0.00 C ATOM 1634 C GLY B 48 1.069 -22.881 5.627 1.00 0.00 C ATOM 1635 O GLY B 48 0.417 -21.845 5.494 1.00 0.00 O ATOM 0 H GLY B 48 1.507 -21.853 3.349 1.00 0.00 H new ATOM 0 HA2 GLY B 48 2.290 -24.261 4.515 1.00 0.00 H new ATOM 0 HA3 GLY B 48 3.195 -22.993 5.317 1.00 0.00 H new HETATM 1639 N NH2 B 49 0.753 -23.767 6.560 1.00 0.00 N TER 1642 NH2 B 49 HETATM 1643 ZN ZN A 50 -3.882 -4.576 -7.795 1.00 0.00 ZN HETATM 1644 ZN ZN B 50 -1.762 -7.367 -5.621 1.00 0.00 ZN