USER MOD reduce.3.24.130724 H: found=0, std=0, add=382, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 379 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 26 TYR OH : rot 180:sc= 0.0508 USER MOD Set 1.2: B 29 LYS NZ :NH3+ -176:sc= 1.02 (180deg=0.922) USER MOD Set 2.1: A 12 SER OG : rot 170:sc= 0 USER MOD Set 2.2: B 3 ASN : amide:sc= -0.148 K(o=-0.15,f=-0.65) USER MOD Set 3.1: A 5 GLN : amide:sc= 0.805 K(o=0.8,f=0) USER MOD Set 3.2: A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -157:sc= 0.916 (180deg=0.622) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0.472 K(o=0.47,f=-5.1!) USER MOD Single : A 18 ASN : amide:sc= -0.229 X(o=-0.23,f=-0.016) USER MOD Single : A 21 ASN : amide:sc= -0.225 X(o=-0.23,f=-0.063) USER MOD Single : B 1 PHE N :NH3+ -109:sc= 0.0956 (180deg=0) USER MOD Single : B 4 GLN : amide:sc= 0.418 X(o=0.42,f=-0.0018) USER MOD Single : B 5 HIS : no HD1:sc= -0.713 X(o=-0.71,f=-0.54) USER MOD Single : B 9 SER OG : rot -75:sc= 1.2 USER MOD Single : B 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 24 HIS : no HD1:sc= 1.03 K(o=1,f=-3.1!) USER MOD Single : B 27 THR OG1 : rot 40:sc= 0.148 USER MOD Single : B 30 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 4.455 -2.380 1.600 1.00 0.00 N ATOM 2 CA GLY A 1 4.980 -3.741 1.338 1.00 0.00 C ATOM 3 C GLY A 1 4.429 -4.353 0.054 1.00 0.00 C ATOM 4 O GLY A 1 3.476 -3.849 -0.534 1.00 0.00 O ATOM 0 H1 GLY A 1 5.113 -1.868 2.221 1.00 0.00 H new ATOM 0 H2 GLY A 1 4.357 -1.867 0.701 1.00 0.00 H new ATOM 0 H3 GLY A 1 3.526 -2.449 2.062 1.00 0.00 H new ATOM 0 HA2 GLY A 1 6.068 -3.700 1.277 1.00 0.00 H new ATOM 0 HA3 GLY A 1 4.732 -4.389 2.179 1.00 0.00 H new ATOM 10 N ILE A 2 5.032 -5.455 -0.407 1.00 0.00 N ATOM 11 CA ILE A 2 4.728 -6.094 -1.710 1.00 0.00 C ATOM 12 C ILE A 2 3.331 -6.737 -1.790 1.00 0.00 C ATOM 13 O ILE A 2 2.679 -6.655 -2.828 1.00 0.00 O ATOM 14 CB ILE A 2 5.872 -7.075 -2.078 1.00 0.00 C ATOM 15 CG1 ILE A 2 5.775 -7.688 -3.491 1.00 0.00 C ATOM 16 CG2 ILE A 2 6.018 -8.232 -1.069 1.00 0.00 C ATOM 17 CD1 ILE A 2 5.657 -6.696 -4.651 1.00 0.00 C ATOM 0 H ILE A 2 5.758 -5.942 0.117 1.00 0.00 H new ATOM 0 HA ILE A 2 4.683 -5.305 -2.461 1.00 0.00 H new ATOM 0 HB ILE A 2 6.752 -6.433 -2.048 1.00 0.00 H new ATOM 0 HG12 ILE A 2 6.657 -8.307 -3.657 1.00 0.00 H new ATOM 0 HG13 ILE A 2 4.911 -8.351 -3.518 1.00 0.00 H new ATOM 0 HG21 ILE A 2 6.834 -8.885 -1.379 1.00 0.00 H new ATOM 0 HG22 ILE A 2 6.233 -7.827 -0.080 1.00 0.00 H new ATOM 0 HG23 ILE A 2 5.090 -8.803 -1.033 1.00 0.00 H new ATOM 0 HD11 ILE A 2 5.596 -7.242 -5.592 1.00 0.00 H new ATOM 0 HD12 ILE A 2 4.759 -6.092 -4.523 1.00 0.00 H new ATOM 0 HD13 ILE A 2 6.532 -6.046 -4.665 1.00 0.00 H new ATOM 29 N VAL A 3 2.816 -7.307 -0.698 1.00 0.00 N ATOM 30 CA VAL A 3 1.484 -7.956 -0.681 1.00 0.00 C ATOM 31 C VAL A 3 0.369 -6.916 -0.886 1.00 0.00 C ATOM 32 O VAL A 3 -0.511 -7.122 -1.716 1.00 0.00 O ATOM 33 CB VAL A 3 1.269 -8.792 0.605 1.00 0.00 C ATOM 34 CG1 VAL A 3 -0.145 -9.390 0.706 1.00 0.00 C ATOM 35 CG2 VAL A 3 2.278 -9.955 0.662 1.00 0.00 C ATOM 0 H VAL A 3 3.300 -7.337 0.199 1.00 0.00 H new ATOM 0 HA VAL A 3 1.441 -8.655 -1.516 1.00 0.00 H new ATOM 0 HB VAL A 3 1.412 -8.102 1.437 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -0.232 -9.964 1.628 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -0.881 -8.586 0.708 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -0.325 -10.044 -0.147 1.00 0.00 H new ATOM 0 HG21 VAL A 3 2.115 -10.534 1.571 1.00 0.00 H new ATOM 0 HG22 VAL A 3 2.141 -10.598 -0.207 1.00 0.00 H new ATOM 0 HG23 VAL A 3 3.293 -9.557 0.662 1.00 0.00 H new ATOM 45 N GLU A 4 0.436 -5.761 -0.216 1.00 0.00 N ATOM 46 CA GLU A 4 -0.510 -4.651 -0.436 1.00 0.00 C ATOM 47 C GLU A 4 -0.266 -3.885 -1.758 1.00 0.00 C ATOM 48 O GLU A 4 -1.052 -3.003 -2.108 1.00 0.00 O ATOM 49 CB GLU A 4 -0.539 -3.713 0.786 1.00 0.00 C ATOM 50 CG GLU A 4 0.790 -2.982 1.015 1.00 0.00 C ATOM 51 CD GLU A 4 0.806 -2.077 2.255 1.00 0.00 C ATOM 52 OE1 GLU A 4 -0.240 -1.502 2.641 1.00 0.00 O ATOM 53 OE2 GLU A 4 1.906 -1.921 2.836 1.00 0.00 O1- ATOM 0 H GLU A 4 1.143 -5.565 0.493 1.00 0.00 H new ATOM 0 HA GLU A 4 -1.499 -5.096 -0.547 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -1.333 -2.978 0.654 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -0.786 -4.292 1.676 1.00 0.00 H new ATOM 0 HG2 GLU A 4 1.586 -3.720 1.108 1.00 0.00 H new ATOM 0 HG3 GLU A 4 1.016 -2.379 0.136 1.00 0.00 H new ATOM 60 N GLN A 5 0.792 -4.216 -2.509 1.00 0.00 N ATOM 61 CA GLN A 5 1.026 -3.716 -3.866 1.00 0.00 C ATOM 62 C GLN A 5 0.437 -4.663 -4.928 1.00 0.00 C ATOM 63 O GLN A 5 -0.171 -4.172 -5.877 1.00 0.00 O ATOM 64 CB GLN A 5 2.534 -3.480 -4.066 1.00 0.00 C ATOM 65 CG GLN A 5 2.944 -3.031 -5.478 1.00 0.00 C ATOM 66 CD GLN A 5 2.349 -1.690 -5.920 1.00 0.00 C ATOM 67 OE1 GLN A 5 2.982 -0.645 -5.841 1.00 0.00 O ATOM 68 NE2 GLN A 5 1.122 -1.662 -6.401 1.00 0.00 N ATOM 0 H GLN A 5 1.521 -4.850 -2.183 1.00 0.00 H new ATOM 0 HA GLN A 5 0.508 -2.765 -3.992 1.00 0.00 H new ATOM 0 HB2 GLN A 5 2.866 -2.726 -3.352 1.00 0.00 H new ATOM 0 HB3 GLN A 5 3.065 -4.401 -3.827 1.00 0.00 H new ATOM 0 HG2 GLN A 5 4.031 -2.963 -5.522 1.00 0.00 H new ATOM 0 HG3 GLN A 5 2.644 -3.799 -6.191 1.00 0.00 H new ATOM 0 HE21 GLN A 5 0.583 -2.525 -6.473 1.00 0.00 H new ATOM 0 HE22 GLN A 5 0.712 -0.778 -6.701 1.00 0.00 H new ATOM 77 N CYS A 6 0.620 -5.986 -4.798 1.00 0.00 N ATOM 78 CA CYS A 6 0.314 -6.966 -5.860 1.00 0.00 C ATOM 79 C CYS A 6 -0.826 -7.965 -5.571 1.00 0.00 C ATOM 80 O CYS A 6 -1.402 -8.515 -6.512 1.00 0.00 O ATOM 81 CB CYS A 6 1.592 -7.761 -6.136 1.00 0.00 C ATOM 82 SG CYS A 6 2.962 -6.881 -6.936 1.00 0.00 S ATOM 0 H CYS A 6 0.987 -6.412 -3.947 1.00 0.00 H new ATOM 0 HA CYS A 6 -0.040 -6.378 -6.707 1.00 0.00 H new ATOM 0 HB2 CYS A 6 1.954 -8.158 -5.188 1.00 0.00 H new ATOM 0 HB3 CYS A 6 1.330 -8.616 -6.760 1.00 0.00 H new ATOM 87 N CYS A 7 -1.154 -8.246 -4.303 1.00 0.00 N ATOM 88 CA CYS A 7 -2.209 -9.214 -3.930 1.00 0.00 C ATOM 89 C CYS A 7 -3.621 -8.611 -3.892 1.00 0.00 C ATOM 90 O CYS A 7 -4.577 -9.245 -4.350 1.00 0.00 O ATOM 91 CB CYS A 7 -1.847 -9.874 -2.592 1.00 0.00 C ATOM 92 SG CYS A 7 -2.972 -11.178 -2.021 1.00 0.00 S ATOM 0 H CYS A 7 -0.698 -7.811 -3.501 1.00 0.00 H new ATOM 0 HA CYS A 7 -2.245 -9.968 -4.717 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -0.846 -10.296 -2.677 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -1.802 -9.099 -1.827 1.00 0.00 H new ATOM 97 N THR A 8 -3.753 -7.386 -3.367 1.00 0.00 N ATOM 98 CA THR A 8 -5.033 -6.657 -3.239 1.00 0.00 C ATOM 99 C THR A 8 -5.525 -6.074 -4.569 1.00 0.00 C ATOM 100 O THR A 8 -6.727 -5.965 -4.801 1.00 0.00 O ATOM 101 CB THR A 8 -4.885 -5.577 -2.161 1.00 0.00 C ATOM 102 OG1 THR A 8 -6.164 -5.104 -1.800 1.00 0.00 O ATOM 103 CG2 THR A 8 -4.028 -4.400 -2.631 1.00 0.00 C ATOM 0 H THR A 8 -2.957 -6.857 -3.010 1.00 0.00 H new ATOM 0 HA THR A 8 -5.803 -7.367 -2.938 1.00 0.00 H new ATOM 0 HB THR A 8 -4.383 -6.030 -1.306 1.00 0.00 H new ATOM 0 HG1 THR A 8 -6.075 -4.414 -1.110 1.00 0.00 H new ATOM 0 HG21 THR A 8 -3.953 -3.662 -1.832 1.00 0.00 H new ATOM 0 HG22 THR A 8 -3.031 -4.756 -2.890 1.00 0.00 H new ATOM 0 HG23 THR A 8 -4.488 -3.942 -3.506 1.00 0.00 H new ATOM 111 N SER A 9 -4.598 -5.729 -5.461 1.00 0.00 N ATOM 112 CA SER A 9 -4.848 -5.139 -6.779 1.00 0.00 C ATOM 113 C SER A 9 -3.643 -5.348 -7.707 1.00 0.00 C ATOM 114 O SER A 9 -2.576 -5.786 -7.268 1.00 0.00 O ATOM 115 CB SER A 9 -5.242 -3.653 -6.667 1.00 0.00 C ATOM 116 OG SER A 9 -4.171 -2.822 -6.236 1.00 0.00 O ATOM 0 H SER A 9 -3.603 -5.859 -5.277 1.00 0.00 H new ATOM 0 HA SER A 9 -5.698 -5.655 -7.225 1.00 0.00 H new ATOM 0 HB2 SER A 9 -5.597 -3.304 -7.636 1.00 0.00 H new ATOM 0 HB3 SER A 9 -6.073 -3.555 -5.969 1.00 0.00 H new ATOM 0 HG SER A 9 -4.478 -1.893 -6.185 1.00 0.00 H new ATOM 122 N ILE A 10 -3.810 -5.084 -9.005 1.00 0.00 N ATOM 123 CA ILE A 10 -2.796 -5.413 -10.016 1.00 0.00 C ATOM 124 C ILE A 10 -1.594 -4.465 -9.942 1.00 0.00 C ATOM 125 O ILE A 10 -1.744 -3.242 -10.028 1.00 0.00 O ATOM 126 CB ILE A 10 -3.423 -5.465 -11.426 1.00 0.00 C ATOM 127 CG1 ILE A 10 -4.496 -6.576 -11.393 1.00 0.00 C ATOM 128 CG2 ILE A 10 -2.340 -5.702 -12.496 1.00 0.00 C ATOM 129 CD1 ILE A 10 -5.081 -7.000 -12.734 1.00 0.00 C ATOM 0 H ILE A 10 -4.645 -4.639 -9.386 1.00 0.00 H new ATOM 0 HA ILE A 10 -2.412 -6.409 -9.798 1.00 0.00 H new ATOM 0 HB ILE A 10 -3.890 -4.518 -11.697 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -4.061 -7.455 -10.918 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -5.314 -6.241 -10.755 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -2.804 -5.735 -13.482 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -1.613 -4.890 -12.464 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -1.836 -6.648 -12.300 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -5.821 -7.784 -12.576 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -5.557 -6.143 -13.211 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -4.284 -7.376 -13.376 1.00 0.00 H new ATOM 141 N CYS A 11 -0.397 -5.044 -9.845 1.00 0.00 N ATOM 142 CA CYS A 11 0.883 -4.340 -9.943 1.00 0.00 C ATOM 143 C CYS A 11 1.557 -4.563 -11.306 1.00 0.00 C ATOM 144 O CYS A 11 1.339 -5.580 -11.970 1.00 0.00 O ATOM 145 CB CYS A 11 1.788 -4.795 -8.793 1.00 0.00 C ATOM 146 SG CYS A 11 2.311 -6.530 -8.833 1.00 0.00 S ATOM 0 H CYS A 11 -0.287 -6.046 -9.691 1.00 0.00 H new ATOM 0 HA CYS A 11 0.703 -3.268 -9.862 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.679 -4.167 -8.788 1.00 0.00 H new ATOM 0 HB3 CYS A 11 1.266 -4.615 -7.853 1.00 0.00 H new ATOM 151 N SER A 12 2.399 -3.619 -11.719 1.00 0.00 N ATOM 152 CA SER A 12 3.264 -3.769 -12.898 1.00 0.00 C ATOM 153 C SER A 12 4.661 -4.286 -12.529 1.00 0.00 C ATOM 154 O SER A 12 5.170 -4.047 -11.430 1.00 0.00 O ATOM 155 CB SER A 12 3.360 -2.448 -13.669 1.00 0.00 C ATOM 156 OG SER A 12 2.099 -2.061 -14.194 1.00 0.00 O ATOM 0 H SER A 12 2.505 -2.722 -11.246 1.00 0.00 H new ATOM 0 HA SER A 12 2.805 -4.518 -13.543 1.00 0.00 H new ATOM 0 HB2 SER A 12 3.736 -1.666 -13.009 1.00 0.00 H new ATOM 0 HB3 SER A 12 4.078 -2.551 -14.482 1.00 0.00 H new ATOM 0 HG SER A 12 2.155 -1.145 -14.538 1.00 0.00 H new ATOM 162 N LEU A 13 5.323 -4.966 -13.470 1.00 0.00 N ATOM 163 CA LEU A 13 6.639 -5.573 -13.257 1.00 0.00 C ATOM 164 C LEU A 13 7.690 -4.540 -12.845 1.00 0.00 C ATOM 165 O LEU A 13 8.455 -4.756 -11.908 1.00 0.00 O ATOM 166 CB LEU A 13 7.059 -6.382 -14.500 1.00 0.00 C ATOM 167 CG LEU A 13 7.197 -5.658 -15.862 1.00 0.00 C ATOM 168 CD1 LEU A 13 8.036 -6.535 -16.803 1.00 0.00 C ATOM 169 CD2 LEU A 13 5.857 -5.350 -16.552 1.00 0.00 C ATOM 0 H LEU A 13 4.956 -5.112 -14.410 1.00 0.00 H new ATOM 0 HA LEU A 13 6.564 -6.266 -12.419 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.018 -6.849 -14.278 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.335 -7.186 -14.628 1.00 0.00 H new ATOM 0 HG LEU A 13 7.671 -4.699 -15.654 1.00 0.00 H new ATOM 0 HD11 LEU A 13 8.141 -6.037 -17.767 1.00 0.00 H new ATOM 0 HD12 LEU A 13 9.022 -6.696 -16.368 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.541 -7.496 -16.943 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.043 -4.843 -17.499 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.321 -6.281 -16.738 1.00 0.00 H new ATOM 0 HD23 LEU A 13 5.256 -4.708 -15.909 1.00 0.00 H new ATOM 181 N TYR A 14 7.651 -3.370 -13.480 1.00 0.00 N ATOM 182 CA TYR A 14 8.642 -2.307 -13.319 1.00 0.00 C ATOM 183 C TYR A 14 8.631 -1.639 -11.936 1.00 0.00 C ATOM 184 O TYR A 14 9.568 -0.920 -11.583 1.00 0.00 O ATOM 185 CB TYR A 14 8.432 -1.276 -14.433 1.00 0.00 C ATOM 186 CG TYR A 14 7.112 -0.517 -14.417 1.00 0.00 C ATOM 187 CD1 TYR A 14 6.908 0.542 -13.510 1.00 0.00 C ATOM 188 CD2 TYR A 14 6.104 -0.844 -15.346 1.00 0.00 C ATOM 189 CE1 TYR A 14 5.694 1.255 -13.509 1.00 0.00 C ATOM 190 CE2 TYR A 14 4.896 -0.120 -15.365 1.00 0.00 C ATOM 191 CZ TYR A 14 4.683 0.926 -14.441 1.00 0.00 C ATOM 192 OH TYR A 14 3.509 1.619 -14.456 1.00 0.00 O ATOM 0 H TYR A 14 6.910 -3.129 -14.138 1.00 0.00 H new ATOM 0 HA TYR A 14 9.629 -2.764 -13.395 1.00 0.00 H new ATOM 0 HB2 TYR A 14 9.243 -0.550 -14.383 1.00 0.00 H new ATOM 0 HB3 TYR A 14 8.520 -1.787 -15.392 1.00 0.00 H new ATOM 0 HD1 TYR A 14 7.688 0.808 -12.812 1.00 0.00 H new ATOM 0 HD2 TYR A 14 6.258 -1.652 -16.046 1.00 0.00 H new ATOM 0 HE1 TYR A 14 5.535 2.052 -12.798 1.00 0.00 H new ATOM 0 HE2 TYR A 14 4.132 -0.365 -16.087 1.00 0.00 H new ATOM 0 HH TYR A 14 2.928 1.263 -15.160 1.00 0.00 H new ATOM 202 N GLN A 15 7.566 -1.867 -11.164 1.00 0.00 N ATOM 203 CA GLN A 15 7.416 -1.352 -9.803 1.00 0.00 C ATOM 204 C GLN A 15 7.515 -2.487 -8.782 1.00 0.00 C ATOM 205 O GLN A 15 8.011 -2.259 -7.688 1.00 0.00 O ATOM 206 CB GLN A 15 6.106 -0.546 -9.657 1.00 0.00 C ATOM 207 CG GLN A 15 4.848 -1.327 -10.075 1.00 0.00 C ATOM 208 CD GLN A 15 3.503 -0.630 -9.863 1.00 0.00 C ATOM 209 OE1 GLN A 15 2.461 -1.254 -10.023 1.00 0.00 O ATOM 210 NE2 GLN A 15 3.438 0.643 -9.531 1.00 0.00 N ATOM 0 H GLN A 15 6.770 -2.425 -11.474 1.00 0.00 H new ATOM 0 HA GLN A 15 8.236 -0.663 -9.600 1.00 0.00 H new ATOM 0 HB2 GLN A 15 5.998 -0.230 -8.619 1.00 0.00 H new ATOM 0 HB3 GLN A 15 6.178 0.359 -10.260 1.00 0.00 H new ATOM 0 HG2 GLN A 15 4.939 -1.577 -11.132 1.00 0.00 H new ATOM 0 HG3 GLN A 15 4.834 -2.268 -9.525 1.00 0.00 H new ATOM 0 HE21 GLN A 15 4.295 1.179 -9.394 1.00 0.00 H new ATOM 0 HE22 GLN A 15 2.531 1.093 -9.411 1.00 0.00 H new ATOM 219 N LEU A 16 7.129 -3.724 -9.122 1.00 0.00 N ATOM 220 CA LEU A 16 7.284 -4.874 -8.230 1.00 0.00 C ATOM 221 C LEU A 16 8.769 -5.279 -8.063 1.00 0.00 C ATOM 222 O LEU A 16 9.146 -5.751 -6.993 1.00 0.00 O ATOM 223 CB LEU A 16 6.320 -5.989 -8.690 1.00 0.00 C ATOM 224 CG LEU A 16 6.964 -7.131 -9.488 1.00 0.00 C ATOM 225 CD1 LEU A 16 7.717 -8.119 -8.582 1.00 0.00 C ATOM 226 CD2 LEU A 16 5.898 -7.914 -10.269 1.00 0.00 C ATOM 0 H LEU A 16 6.703 -3.952 -10.020 1.00 0.00 H new ATOM 0 HA LEU A 16 6.992 -4.622 -7.211 1.00 0.00 H new ATOM 0 HB2 LEU A 16 5.835 -6.412 -7.810 1.00 0.00 H new ATOM 0 HB3 LEU A 16 5.537 -5.539 -9.300 1.00 0.00 H new ATOM 0 HG LEU A 16 7.674 -6.666 -10.172 1.00 0.00 H new ATOM 0 HD11 LEU A 16 8.156 -8.909 -9.191 1.00 0.00 H new ATOM 0 HD12 LEU A 16 8.507 -7.592 -8.047 1.00 0.00 H new ATOM 0 HD13 LEU A 16 7.023 -8.557 -7.865 1.00 0.00 H new ATOM 0 HD21 LEU A 16 6.375 -8.719 -10.828 1.00 0.00 H new ATOM 0 HD22 LEU A 16 5.173 -8.336 -9.573 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.389 -7.244 -10.961 1.00 0.00 H new ATOM 238 N GLU A 17 9.625 -5.031 -9.073 1.00 0.00 N ATOM 239 CA GLU A 17 11.095 -5.173 -8.984 1.00 0.00 C ATOM 240 C GLU A 17 11.668 -4.469 -7.748 1.00 0.00 C ATOM 241 O GLU A 17 12.620 -4.941 -7.123 1.00 0.00 O ATOM 242 CB GLU A 17 11.798 -4.512 -10.189 1.00 0.00 C ATOM 243 CG GLU A 17 11.846 -5.368 -11.449 1.00 0.00 C ATOM 244 CD GLU A 17 12.704 -4.696 -12.532 1.00 0.00 C ATOM 245 OE1 GLU A 17 13.940 -4.906 -12.545 1.00 0.00 O ATOM 246 OE2 GLU A 17 12.152 -3.946 -13.372 1.00 0.00 O1- ATOM 0 H GLU A 17 9.310 -4.720 -9.992 1.00 0.00 H new ATOM 0 HA GLU A 17 11.275 -6.247 -8.946 1.00 0.00 H new ATOM 0 HB2 GLU A 17 11.288 -3.577 -10.421 1.00 0.00 H new ATOM 0 HB3 GLU A 17 12.818 -4.256 -9.901 1.00 0.00 H new ATOM 0 HG2 GLU A 17 12.255 -6.350 -11.212 1.00 0.00 H new ATOM 0 HG3 GLU A 17 10.835 -5.526 -11.825 1.00 0.00 H new ATOM 253 N ASN A 18 11.077 -3.324 -7.407 1.00 0.00 N ATOM 254 CA ASN A 18 11.542 -2.421 -6.353 1.00 0.00 C ATOM 255 C ASN A 18 11.581 -3.092 -4.965 1.00 0.00 C ATOM 256 O ASN A 18 12.362 -2.701 -4.096 1.00 0.00 O ATOM 257 CB ASN A 18 10.603 -1.205 -6.311 1.00 0.00 C ATOM 258 CG ASN A 18 10.522 -0.343 -7.579 1.00 0.00 C ATOM 259 OD1 ASN A 18 9.678 0.538 -7.686 1.00 0.00 O ATOM 260 ND2 ASN A 18 11.379 -0.534 -8.570 1.00 0.00 N ATOM 0 H ASN A 18 10.234 -2.988 -7.872 1.00 0.00 H new ATOM 0 HA ASN A 18 12.565 -2.126 -6.588 1.00 0.00 H new ATOM 0 HB2 ASN A 18 9.599 -1.560 -6.078 1.00 0.00 H new ATOM 0 HB3 ASN A 18 10.914 -0.565 -5.485 1.00 0.00 H new ATOM 0 HD21 ASN A 18 11.330 0.048 -9.406 1.00 0.00 H new ATOM 0 HD22 ASN A 18 12.088 -1.263 -8.497 1.00 0.00 H new ATOM 267 N TYR A 19 10.750 -4.116 -4.765 1.00 0.00 N ATOM 268 CA TYR A 19 10.573 -4.847 -3.510 1.00 0.00 C ATOM 269 C TYR A 19 11.570 -6.009 -3.328 1.00 0.00 C ATOM 270 O TYR A 19 11.627 -6.611 -2.254 1.00 0.00 O ATOM 271 CB TYR A 19 9.120 -5.335 -3.469 1.00 0.00 C ATOM 272 CG TYR A 19 8.101 -4.205 -3.463 1.00 0.00 C ATOM 273 CD1 TYR A 19 7.714 -3.568 -4.664 1.00 0.00 C ATOM 274 CD2 TYR A 19 7.554 -3.776 -2.239 1.00 0.00 C ATOM 275 CE1 TYR A 19 6.794 -2.503 -4.633 1.00 0.00 C ATOM 276 CE2 TYR A 19 6.615 -2.729 -2.209 1.00 0.00 C ATOM 277 CZ TYR A 19 6.231 -2.086 -3.407 1.00 0.00 C ATOM 278 OH TYR A 19 5.330 -1.065 -3.369 1.00 0.00 O ATOM 0 H TYR A 19 10.153 -4.475 -5.510 1.00 0.00 H new ATOM 0 HA TYR A 19 10.784 -4.178 -2.676 1.00 0.00 H new ATOM 0 HB2 TYR A 19 8.936 -5.976 -4.331 1.00 0.00 H new ATOM 0 HB3 TYR A 19 8.976 -5.949 -2.580 1.00 0.00 H new ATOM 0 HD1 TYR A 19 8.125 -3.899 -5.607 1.00 0.00 H new ATOM 0 HD2 TYR A 19 7.857 -4.253 -1.319 1.00 0.00 H new ATOM 0 HE1 TYR A 19 6.518 -2.003 -5.550 1.00 0.00 H new ATOM 0 HE2 TYR A 19 6.187 -2.416 -1.268 1.00 0.00 H new ATOM 0 HH TYR A 19 5.046 -0.913 -2.443 1.00 0.00 H new ATOM 288 N CYS A 20 12.381 -6.315 -4.350 1.00 0.00 N ATOM 289 CA CYS A 20 13.465 -7.306 -4.264 1.00 0.00 C ATOM 290 C CYS A 20 14.645 -6.836 -3.384 1.00 0.00 C ATOM 291 O CYS A 20 15.361 -7.662 -2.814 1.00 0.00 O ATOM 292 CB CYS A 20 13.937 -7.618 -5.689 1.00 0.00 C ATOM 293 SG CYS A 20 15.014 -9.067 -5.815 1.00 0.00 S ATOM 0 H CYS A 20 12.303 -5.878 -5.268 1.00 0.00 H new ATOM 0 HA CYS A 20 13.078 -8.202 -3.780 1.00 0.00 H new ATOM 0 HB2 CYS A 20 13.064 -7.772 -6.323 1.00 0.00 H new ATOM 0 HB3 CYS A 20 14.467 -6.750 -6.082 1.00 0.00 H new ATOM 298 N ASN A 21 14.832 -5.512 -3.258 1.00 0.00 N ATOM 299 CA ASN A 21 15.852 -4.856 -2.425 1.00 0.00 C ATOM 300 C ASN A 21 15.455 -4.847 -0.931 1.00 0.00 C ATOM 301 O ASN A 21 16.016 -5.656 -0.157 1.00 0.00 O ATOM 302 CB ASN A 21 16.103 -3.444 -3.012 1.00 0.00 C ATOM 303 CG ASN A 21 17.138 -2.622 -2.252 1.00 0.00 C ATOM 304 OD1 ASN A 21 18.246 -2.382 -2.715 1.00 0.00 O ATOM 305 ND2 ASN A 21 16.806 -2.161 -1.069 1.00 0.00 N ATOM 306 OXT ASN A 21 14.621 -4.000 -0.533 1.00 0.00 O1- ATOM 0 H ASN A 21 14.249 -4.840 -3.757 1.00 0.00 H new ATOM 0 HA ASN A 21 16.787 -5.415 -2.450 1.00 0.00 H new ATOM 0 HB2 ASN A 21 16.427 -3.547 -4.048 1.00 0.00 H new ATOM 0 HB3 ASN A 21 15.161 -2.897 -3.026 1.00 0.00 H new ATOM 0 HD21 ASN A 21 17.471 -1.602 -0.534 1.00 0.00 H new ATOM 0 HD22 ASN A 21 15.883 -2.361 -0.684 1.00 0.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 1 5.870 -11.572 -19.351 1.00 0.00 N ATOM 315 CA PHE B 1 5.212 -11.321 -18.041 1.00 0.00 C ATOM 316 C PHE B 1 3.732 -10.955 -18.239 1.00 0.00 C ATOM 317 O PHE B 1 3.359 -10.495 -19.319 1.00 0.00 O ATOM 318 CB PHE B 1 5.960 -10.232 -17.241 1.00 0.00 C ATOM 319 CG PHE B 1 5.531 -10.106 -15.788 1.00 0.00 C ATOM 320 CD1 PHE B 1 6.070 -10.975 -14.818 1.00 0.00 C ATOM 321 CD2 PHE B 1 4.587 -9.133 -15.401 1.00 0.00 C ATOM 322 CE1 PHE B 1 5.664 -10.876 -13.475 1.00 0.00 C ATOM 323 CE2 PHE B 1 4.181 -9.037 -14.058 1.00 0.00 C ATOM 324 CZ PHE B 1 4.717 -9.909 -13.096 1.00 0.00 C ATOM 0 H1 PHE B 1 6.069 -12.588 -19.450 1.00 0.00 H new ATOM 0 H2 PHE B 1 5.240 -11.266 -20.120 1.00 0.00 H new ATOM 0 H3 PHE B 1 6.761 -11.038 -19.400 1.00 0.00 H new ATOM 0 HA PHE B 1 5.255 -12.241 -17.457 1.00 0.00 H new ATOM 0 HB2 PHE B 1 7.028 -10.446 -17.273 1.00 0.00 H new ATOM 0 HB3 PHE B 1 5.812 -9.271 -17.734 1.00 0.00 H new ATOM 0 HD1 PHE B 1 6.797 -11.719 -15.107 1.00 0.00 H new ATOM 0 HD2 PHE B 1 4.175 -8.460 -16.138 1.00 0.00 H new ATOM 0 HE1 PHE B 1 6.080 -11.543 -12.735 1.00 0.00 H new ATOM 0 HE2 PHE B 1 3.456 -8.292 -13.766 1.00 0.00 H new ATOM 0 HZ PHE B 1 4.402 -9.836 -12.066 1.00 0.00 H new ATOM 336 N VAL B 2 2.886 -11.137 -17.216 1.00 0.00 N ATOM 337 CA VAL B 2 1.470 -10.711 -17.206 1.00 0.00 C ATOM 338 C VAL B 2 1.178 -9.973 -15.899 1.00 0.00 C ATOM 339 O VAL B 2 1.260 -10.565 -14.822 1.00 0.00 O ATOM 340 CB VAL B 2 0.495 -11.912 -17.353 1.00 0.00 C ATOM 341 CG1 VAL B 2 -0.981 -11.481 -17.290 1.00 0.00 C ATOM 342 CG2 VAL B 2 0.720 -12.653 -18.683 1.00 0.00 C ATOM 0 H VAL B 2 3.169 -11.595 -16.350 1.00 0.00 H new ATOM 0 HA VAL B 2 1.312 -10.054 -18.061 1.00 0.00 H new ATOM 0 HB VAL B 2 0.709 -12.572 -16.512 1.00 0.00 H new ATOM 0 HG11 VAL B 2 -1.621 -12.357 -17.398 1.00 0.00 H new ATOM 0 HG12 VAL B 2 -1.180 -11.002 -16.331 1.00 0.00 H new ATOM 0 HG13 VAL B 2 -1.190 -10.778 -18.097 1.00 0.00 H new ATOM 0 HG21 VAL B 2 0.023 -13.488 -18.757 1.00 0.00 H new ATOM 0 HG22 VAL B 2 0.554 -11.967 -19.514 1.00 0.00 H new ATOM 0 HG23 VAL B 2 1.742 -13.029 -18.722 1.00 0.00 H new ATOM 352 N ASN B 3 0.795 -8.697 -15.995 1.00 0.00 N ATOM 353 CA ASN B 3 0.232 -7.951 -14.872 1.00 0.00 C ATOM 354 C ASN B 3 -1.109 -8.570 -14.442 1.00 0.00 C ATOM 355 O ASN B 3 -2.034 -8.709 -15.245 1.00 0.00 O ATOM 356 CB ASN B 3 0.042 -6.485 -15.270 1.00 0.00 C ATOM 357 CG ASN B 3 1.328 -5.734 -15.549 1.00 0.00 C ATOM 358 OD1 ASN B 3 2.449 -6.192 -15.356 1.00 0.00 O ATOM 359 ND2 ASN B 3 1.178 -4.513 -16.007 1.00 0.00 N ATOM 0 H ASN B 3 0.868 -8.154 -16.855 1.00 0.00 H new ATOM 0 HA ASN B 3 0.920 -8.001 -14.028 1.00 0.00 H new ATOM 0 HB2 ASN B 3 -0.588 -6.442 -16.159 1.00 0.00 H new ATOM 0 HB3 ASN B 3 -0.496 -5.973 -14.473 1.00 0.00 H new ATOM 0 HD21 ASN B 3 1.997 -3.938 -16.205 1.00 0.00 H new ATOM 0 HD22 ASN B 3 0.242 -4.139 -16.165 1.00 0.00 H new ATOM 366 N GLN B 4 -1.211 -8.944 -13.170 1.00 0.00 N ATOM 367 CA GLN B 4 -2.324 -9.700 -12.591 1.00 0.00 C ATOM 368 C GLN B 4 -2.313 -9.554 -11.062 1.00 0.00 C ATOM 369 O GLN B 4 -1.472 -8.857 -10.491 1.00 0.00 O ATOM 370 CB GLN B 4 -2.246 -11.176 -13.041 1.00 0.00 C ATOM 371 CG GLN B 4 -1.043 -11.890 -12.412 1.00 0.00 C ATOM 372 CD GLN B 4 -0.683 -13.198 -13.114 1.00 0.00 C ATOM 373 OE1 GLN B 4 -1.368 -14.209 -13.009 1.00 0.00 O ATOM 374 NE2 GLN B 4 0.404 -13.229 -13.855 1.00 0.00 N ATOM 0 H GLN B 4 -0.491 -8.720 -12.483 1.00 0.00 H new ATOM 0 HA GLN B 4 -3.273 -9.301 -12.949 1.00 0.00 H new ATOM 0 HB2 GLN B 4 -3.164 -11.692 -12.761 1.00 0.00 H new ATOM 0 HB3 GLN B 4 -2.172 -11.223 -14.127 1.00 0.00 H new ATOM 0 HG2 GLN B 4 -0.181 -11.224 -12.435 1.00 0.00 H new ATOM 0 HG3 GLN B 4 -1.259 -12.096 -11.364 1.00 0.00 H new ATOM 0 HE21 GLN B 4 0.981 -12.393 -13.949 1.00 0.00 H new ATOM 0 HE22 GLN B 4 0.669 -14.089 -14.335 1.00 0.00 H new ATOM 383 N HIS B 5 -3.229 -10.251 -10.395 1.00 0.00 N ATOM 384 CA HIS B 5 -3.250 -10.372 -8.933 1.00 0.00 C ATOM 385 C HIS B 5 -2.321 -11.516 -8.481 1.00 0.00 C ATOM 386 O HIS B 5 -2.485 -12.662 -8.915 1.00 0.00 O ATOM 387 CB HIS B 5 -4.693 -10.594 -8.463 1.00 0.00 C ATOM 388 CG HIS B 5 -5.612 -9.443 -8.772 1.00 0.00 C ATOM 389 ND1 HIS B 5 -5.930 -8.405 -7.894 1.00 0.00 N ATOM 390 CD2 HIS B 5 -6.257 -9.233 -9.956 1.00 0.00 C ATOM 391 CE1 HIS B 5 -6.772 -7.609 -8.570 1.00 0.00 C ATOM 392 NE2 HIS B 5 -7.004 -8.088 -9.804 1.00 0.00 N ATOM 0 H HIS B 5 -3.987 -10.754 -10.856 1.00 0.00 H new ATOM 0 HA HIS B 5 -2.880 -9.453 -8.479 1.00 0.00 H new ATOM 0 HB2 HIS B 5 -5.084 -11.496 -8.933 1.00 0.00 H new ATOM 0 HB3 HIS B 5 -4.693 -10.769 -7.387 1.00 0.00 H new ATOM 0 HD2 HIS B 5 -6.193 -9.847 -10.842 1.00 0.00 H new ATOM 0 HE1 HIS B 5 -7.206 -6.703 -8.175 1.00 0.00 H new ATOM 0 HE2 HIS B 5 -7.623 -7.676 -10.503 1.00 0.00 H new ATOM 400 N LEU B 6 -1.340 -11.212 -7.626 1.00 0.00 N ATOM 401 CA LEU B 6 -0.279 -12.137 -7.208 1.00 0.00 C ATOM 402 C LEU B 6 -0.188 -12.208 -5.683 1.00 0.00 C ATOM 403 O LEU B 6 -0.076 -11.184 -5.016 1.00 0.00 O ATOM 404 CB LEU B 6 1.059 -11.672 -7.809 1.00 0.00 C ATOM 405 CG LEU B 6 1.152 -11.735 -9.346 1.00 0.00 C ATOM 406 CD1 LEU B 6 2.459 -11.069 -9.782 1.00 0.00 C ATOM 407 CD2 LEU B 6 1.115 -13.180 -9.861 1.00 0.00 C ATOM 0 H LEU B 6 -1.259 -10.292 -7.193 1.00 0.00 H new ATOM 0 HA LEU B 6 -0.512 -13.138 -7.572 1.00 0.00 H new ATOM 0 HB2 LEU B 6 1.242 -10.645 -7.493 1.00 0.00 H new ATOM 0 HB3 LEU B 6 1.858 -12.282 -7.388 1.00 0.00 H new ATOM 0 HG LEU B 6 0.292 -11.215 -9.767 1.00 0.00 H new ATOM 0 HD11 LEU B 6 2.541 -11.105 -10.868 1.00 0.00 H new ATOM 0 HD12 LEU B 6 2.466 -10.030 -9.452 1.00 0.00 H new ATOM 0 HD13 LEU B 6 3.302 -11.597 -9.337 1.00 0.00 H new ATOM 0 HD21 LEU B 6 1.183 -13.180 -10.949 1.00 0.00 H new ATOM 0 HD22 LEU B 6 1.955 -13.736 -9.445 1.00 0.00 H new ATOM 0 HD23 LEU B 6 0.181 -13.651 -9.556 1.00 0.00 H new ATOM 419 N CYS B 7 -0.202 -13.421 -5.128 1.00 0.00 N ATOM 420 CA CYS B 7 -0.159 -13.665 -3.681 1.00 0.00 C ATOM 421 C CYS B 7 0.505 -15.011 -3.364 1.00 0.00 C ATOM 422 O CYS B 7 0.427 -15.944 -4.168 1.00 0.00 O ATOM 423 CB CYS B 7 -1.588 -13.607 -3.121 1.00 0.00 C ATOM 424 SG CYS B 7 -1.752 -12.740 -1.541 1.00 0.00 S ATOM 0 H CYS B 7 -0.244 -14.278 -5.679 1.00 0.00 H new ATOM 0 HA CYS B 7 0.445 -12.892 -3.206 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -2.231 -13.120 -3.854 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -1.957 -14.625 -3.000 1.00 0.00 H new ATOM 429 N GLY B 8 1.175 -15.114 -2.213 1.00 0.00 N ATOM 430 CA GLY B 8 1.840 -16.346 -1.758 1.00 0.00 C ATOM 431 C GLY B 8 2.890 -16.851 -2.750 1.00 0.00 C ATOM 432 O GLY B 8 3.765 -16.098 -3.182 1.00 0.00 O ATOM 0 H GLY B 8 1.274 -14.337 -1.560 1.00 0.00 H new ATOM 0 HA2 GLY B 8 2.315 -16.163 -0.794 1.00 0.00 H new ATOM 0 HA3 GLY B 8 1.091 -17.122 -1.602 1.00 0.00 H new ATOM 436 N SER B 9 2.787 -18.126 -3.133 1.00 0.00 N ATOM 437 CA SER B 9 3.672 -18.750 -4.132 1.00 0.00 C ATOM 438 C SER B 9 3.706 -17.955 -5.444 1.00 0.00 C ATOM 439 O SER B 9 4.788 -17.681 -5.958 1.00 0.00 O ATOM 440 CB SER B 9 3.231 -20.199 -4.398 1.00 0.00 C ATOM 441 OG SER B 9 4.215 -20.936 -5.115 1.00 0.00 O ATOM 0 H SER B 9 2.084 -18.763 -2.759 1.00 0.00 H new ATOM 0 HA SER B 9 4.682 -18.749 -3.723 1.00 0.00 H new ATOM 0 HB2 SER B 9 3.027 -20.695 -3.449 1.00 0.00 H new ATOM 0 HB3 SER B 9 2.299 -20.196 -4.963 1.00 0.00 H new ATOM 0 HG SER B 9 4.206 -20.664 -6.056 1.00 0.00 H new ATOM 447 N HIS B 10 2.559 -17.474 -5.944 1.00 0.00 N ATOM 448 CA HIS B 10 2.484 -16.688 -7.187 1.00 0.00 C ATOM 449 C HIS B 10 3.314 -15.390 -7.120 1.00 0.00 C ATOM 450 O HIS B 10 3.938 -14.981 -8.102 1.00 0.00 O ATOM 451 CB HIS B 10 1.008 -16.375 -7.503 1.00 0.00 C ATOM 452 CG HIS B 10 0.561 -16.902 -8.840 1.00 0.00 C ATOM 453 ND1 HIS B 10 1.148 -16.594 -10.070 1.00 0.00 N ATOM 454 CD2 HIS B 10 -0.499 -17.734 -9.051 1.00 0.00 C ATOM 455 CE1 HIS B 10 0.424 -17.249 -10.991 1.00 0.00 C ATOM 456 NE2 HIS B 10 -0.570 -17.945 -10.411 1.00 0.00 N ATOM 0 H HIS B 10 1.653 -17.619 -5.497 1.00 0.00 H new ATOM 0 HA HIS B 10 2.916 -17.288 -7.988 1.00 0.00 H new ATOM 0 HB2 HIS B 10 0.378 -16.802 -6.723 1.00 0.00 H new ATOM 0 HB3 HIS B 10 0.859 -15.296 -7.477 1.00 0.00 H new ATOM 0 HD2 HIS B 10 -1.155 -18.147 -8.299 1.00 0.00 H new ATOM 0 HE1 HIS B 10 0.614 -17.221 -12.054 1.00 0.00 H new ATOM 0 HE2 HIS B 10 -1.256 -18.527 -10.893 1.00 0.00 H new ATOM 464 N LEU B 11 3.352 -14.758 -5.941 1.00 0.00 N ATOM 465 CA LEU B 11 4.115 -13.535 -5.688 1.00 0.00 C ATOM 466 C LEU B 11 5.620 -13.828 -5.597 1.00 0.00 C ATOM 467 O LEU B 11 6.406 -13.150 -6.254 1.00 0.00 O ATOM 468 CB LEU B 11 3.539 -12.873 -4.422 1.00 0.00 C ATOM 469 CG LEU B 11 3.929 -11.401 -4.190 1.00 0.00 C ATOM 470 CD1 LEU B 11 3.460 -10.488 -5.330 1.00 0.00 C ATOM 471 CD2 LEU B 11 3.271 -10.927 -2.884 1.00 0.00 C ATOM 0 H LEU B 11 2.843 -15.090 -5.122 1.00 0.00 H new ATOM 0 HA LEU B 11 4.016 -12.836 -6.518 1.00 0.00 H new ATOM 0 HB2 LEU B 11 2.452 -12.937 -4.466 1.00 0.00 H new ATOM 0 HB3 LEU B 11 3.858 -13.453 -3.556 1.00 0.00 H new ATOM 0 HG LEU B 11 5.016 -11.344 -4.141 1.00 0.00 H new ATOM 0 HD11 LEU B 11 3.759 -9.461 -5.120 1.00 0.00 H new ATOM 0 HD12 LEU B 11 3.913 -10.813 -6.267 1.00 0.00 H new ATOM 0 HD13 LEU B 11 2.375 -10.540 -5.415 1.00 0.00 H new ATOM 0 HD21 LEU B 11 3.535 -9.885 -2.701 1.00 0.00 H new ATOM 0 HD22 LEU B 11 2.188 -11.018 -2.968 1.00 0.00 H new ATOM 0 HD23 LEU B 11 3.623 -11.542 -2.055 1.00 0.00 H new ATOM 483 N VAL B 12 6.017 -14.880 -4.875 1.00 0.00 N ATOM 484 CA VAL B 12 7.418 -15.357 -4.813 1.00 0.00 C ATOM 485 C VAL B 12 7.925 -15.775 -6.203 1.00 0.00 C ATOM 486 O VAL B 12 9.045 -15.434 -6.582 1.00 0.00 O ATOM 487 CB VAL B 12 7.560 -16.528 -3.811 1.00 0.00 C ATOM 488 CG1 VAL B 12 8.976 -17.128 -3.792 1.00 0.00 C ATOM 489 CG2 VAL B 12 7.216 -16.064 -2.386 1.00 0.00 C ATOM 0 H VAL B 12 5.375 -15.435 -4.309 1.00 0.00 H new ATOM 0 HA VAL B 12 8.033 -14.528 -4.463 1.00 0.00 H new ATOM 0 HB VAL B 12 6.864 -17.297 -4.147 1.00 0.00 H new ATOM 0 HG11 VAL B 12 9.015 -17.945 -3.071 1.00 0.00 H new ATOM 0 HG12 VAL B 12 9.224 -17.507 -4.784 1.00 0.00 H new ATOM 0 HG13 VAL B 12 9.694 -16.358 -3.508 1.00 0.00 H new ATOM 0 HG21 VAL B 12 7.321 -16.901 -1.695 1.00 0.00 H new ATOM 0 HG22 VAL B 12 7.893 -15.262 -2.091 1.00 0.00 H new ATOM 0 HG23 VAL B 12 6.189 -15.699 -2.360 1.00 0.00 H new ATOM 499 N GLU B 13 7.082 -16.461 -6.977 1.00 0.00 N ATOM 500 CA GLU B 13 7.329 -16.822 -8.374 1.00 0.00 C ATOM 501 C GLU B 13 7.548 -15.586 -9.250 1.00 0.00 C ATOM 502 O GLU B 13 8.532 -15.540 -9.985 1.00 0.00 O ATOM 503 CB GLU B 13 6.155 -17.653 -8.917 1.00 0.00 C ATOM 504 CG GLU B 13 6.301 -19.130 -8.528 1.00 0.00 C ATOM 505 CD GLU B 13 5.011 -19.924 -8.790 1.00 0.00 C ATOM 506 OE1 GLU B 13 4.660 -20.135 -9.977 1.00 0.00 O1- ATOM 507 OE2 GLU B 13 4.359 -20.373 -7.815 1.00 0.00 O ATOM 0 H GLU B 13 6.179 -16.791 -6.637 1.00 0.00 H new ATOM 0 HA GLU B 13 8.242 -17.416 -8.407 1.00 0.00 H new ATOM 0 HB2 GLU B 13 5.216 -17.261 -8.526 1.00 0.00 H new ATOM 0 HB3 GLU B 13 6.111 -17.562 -10.002 1.00 0.00 H new ATOM 0 HG2 GLU B 13 7.121 -19.574 -9.092 1.00 0.00 H new ATOM 0 HG3 GLU B 13 6.564 -19.203 -7.473 1.00 0.00 H new ATOM 514 N ALA B 14 6.695 -14.560 -9.162 1.00 0.00 N ATOM 515 CA ALA B 14 6.891 -13.332 -9.919 1.00 0.00 C ATOM 516 C ALA B 14 8.212 -12.648 -9.556 1.00 0.00 C ATOM 517 O ALA B 14 8.986 -12.341 -10.464 1.00 0.00 O ATOM 518 CB ALA B 14 5.683 -12.437 -9.677 1.00 0.00 C ATOM 0 H ALA B 14 5.863 -14.562 -8.572 1.00 0.00 H new ATOM 0 HA ALA B 14 6.967 -13.554 -10.983 1.00 0.00 H new ATOM 0 HB1 ALA B 14 5.802 -11.507 -10.233 1.00 0.00 H new ATOM 0 HB2 ALA B 14 4.780 -12.947 -10.012 1.00 0.00 H new ATOM 0 HB3 ALA B 14 5.602 -12.216 -8.613 1.00 0.00 H new ATOM 524 N LEU B 15 8.519 -12.486 -8.262 1.00 0.00 N ATOM 525 CA LEU B 15 9.792 -11.919 -7.798 1.00 0.00 C ATOM 526 C LEU B 15 10.994 -12.670 -8.379 1.00 0.00 C ATOM 527 O LEU B 15 11.950 -12.030 -8.817 1.00 0.00 O ATOM 528 CB LEU B 15 9.848 -11.882 -6.252 1.00 0.00 C ATOM 529 CG LEU B 15 9.396 -10.563 -5.585 1.00 0.00 C ATOM 530 CD1 LEU B 15 10.260 -9.365 -6.018 1.00 0.00 C ATOM 531 CD2 LEU B 15 7.907 -10.276 -5.810 1.00 0.00 C ATOM 0 H LEU B 15 7.888 -12.746 -7.504 1.00 0.00 H new ATOM 0 HA LEU B 15 9.847 -10.894 -8.164 1.00 0.00 H new ATOM 0 HB2 LEU B 15 9.227 -12.691 -5.867 1.00 0.00 H new ATOM 0 HB3 LEU B 15 10.872 -12.090 -5.941 1.00 0.00 H new ATOM 0 HG LEU B 15 9.542 -10.703 -4.514 1.00 0.00 H new ATOM 0 HD11 LEU B 15 9.904 -8.462 -5.523 1.00 0.00 H new ATOM 0 HD12 LEU B 15 11.298 -9.546 -5.740 1.00 0.00 H new ATOM 0 HD13 LEU B 15 10.191 -9.238 -7.098 1.00 0.00 H new ATOM 0 HD21 LEU B 15 7.639 -9.339 -5.322 1.00 0.00 H new ATOM 0 HD22 LEU B 15 7.709 -10.198 -6.879 1.00 0.00 H new ATOM 0 HD23 LEU B 15 7.313 -11.087 -5.389 1.00 0.00 H new ATOM 543 N TYR B 16 10.936 -13.999 -8.490 1.00 0.00 N ATOM 544 CA TYR B 16 11.969 -14.761 -9.195 1.00 0.00 C ATOM 545 C TYR B 16 12.059 -14.389 -10.686 1.00 0.00 C ATOM 546 O TYR B 16 13.159 -14.194 -11.197 1.00 0.00 O ATOM 547 CB TYR B 16 11.733 -16.266 -9.036 1.00 0.00 C ATOM 548 CG TYR B 16 12.860 -17.063 -9.666 1.00 0.00 C ATOM 549 CD1 TYR B 16 14.067 -17.250 -8.965 1.00 0.00 C ATOM 550 CD2 TYR B 16 12.748 -17.505 -10.999 1.00 0.00 C ATOM 551 CE1 TYR B 16 15.162 -17.875 -9.591 1.00 0.00 C ATOM 552 CE2 TYR B 16 13.839 -18.128 -11.632 1.00 0.00 C ATOM 553 CZ TYR B 16 15.053 -18.312 -10.932 1.00 0.00 C ATOM 554 OH TYR B 16 16.115 -18.898 -11.552 1.00 0.00 O ATOM 0 H TYR B 16 10.185 -14.569 -8.101 1.00 0.00 H new ATOM 0 HA TYR B 16 12.923 -14.498 -8.738 1.00 0.00 H new ATOM 0 HB2 TYR B 16 11.654 -16.515 -7.978 1.00 0.00 H new ATOM 0 HB3 TYR B 16 10.786 -16.540 -9.500 1.00 0.00 H new ATOM 0 HD1 TYR B 16 14.153 -16.912 -7.943 1.00 0.00 H new ATOM 0 HD2 TYR B 16 11.822 -17.365 -11.537 1.00 0.00 H new ATOM 0 HE1 TYR B 16 16.084 -18.021 -9.048 1.00 0.00 H new ATOM 0 HE2 TYR B 16 13.749 -18.466 -12.654 1.00 0.00 H new ATOM 0 HH TYR B 16 15.867 -19.138 -12.469 1.00 0.00 H new ATOM 564 N LEU B 17 10.931 -14.253 -11.389 1.00 0.00 N ATOM 565 CA LEU B 17 10.916 -13.925 -12.820 1.00 0.00 C ATOM 566 C LEU B 17 11.394 -12.495 -13.123 1.00 0.00 C ATOM 567 O LEU B 17 12.072 -12.294 -14.131 1.00 0.00 O ATOM 568 CB LEU B 17 9.502 -14.148 -13.390 1.00 0.00 C ATOM 569 CG LEU B 17 8.985 -15.598 -13.344 1.00 0.00 C ATOM 570 CD1 LEU B 17 7.524 -15.635 -13.812 1.00 0.00 C ATOM 571 CD2 LEU B 17 9.831 -16.549 -14.205 1.00 0.00 C ATOM 0 H LEU B 17 10.002 -14.367 -10.984 1.00 0.00 H new ATOM 0 HA LEU B 17 11.627 -14.594 -13.306 1.00 0.00 H new ATOM 0 HB2 LEU B 17 8.805 -13.515 -12.841 1.00 0.00 H new ATOM 0 HB3 LEU B 17 9.490 -13.810 -14.426 1.00 0.00 H new ATOM 0 HG LEU B 17 9.061 -15.942 -12.312 1.00 0.00 H new ATOM 0 HD11 LEU B 17 7.157 -16.661 -13.780 1.00 0.00 H new ATOM 0 HD12 LEU B 17 6.916 -15.012 -13.156 1.00 0.00 H new ATOM 0 HD13 LEU B 17 7.459 -15.259 -14.833 1.00 0.00 H new ATOM 0 HD21 LEU B 17 9.425 -17.558 -14.138 1.00 0.00 H new ATOM 0 HD22 LEU B 17 9.809 -16.217 -15.243 1.00 0.00 H new ATOM 0 HD23 LEU B 17 10.860 -16.547 -13.845 1.00 0.00 H new ATOM 583 N VAL B 18 11.061 -11.509 -12.283 1.00 0.00 N ATOM 584 CA VAL B 18 11.499 -10.104 -12.487 1.00 0.00 C ATOM 585 C VAL B 18 12.908 -9.848 -11.950 1.00 0.00 C ATOM 586 O VAL B 18 13.670 -9.122 -12.584 1.00 0.00 O ATOM 587 CB VAL B 18 10.564 -9.013 -11.900 1.00 0.00 C ATOM 588 CG1 VAL B 18 10.229 -7.949 -12.950 1.00 0.00 C ATOM 589 CG2 VAL B 18 9.274 -9.537 -11.295 1.00 0.00 C ATOM 0 H VAL B 18 10.488 -11.648 -11.450 1.00 0.00 H new ATOM 0 HA VAL B 18 11.469 -10.010 -13.572 1.00 0.00 H new ATOM 0 HB VAL B 18 11.137 -8.578 -11.082 1.00 0.00 H new ATOM 0 HG11 VAL B 18 9.573 -7.198 -12.510 1.00 0.00 H new ATOM 0 HG12 VAL B 18 11.148 -7.473 -13.291 1.00 0.00 H new ATOM 0 HG13 VAL B 18 9.728 -8.418 -13.796 1.00 0.00 H new ATOM 0 HG21 VAL B 18 8.687 -8.703 -10.911 1.00 0.00 H new ATOM 0 HG22 VAL B 18 8.701 -10.063 -12.059 1.00 0.00 H new ATOM 0 HG23 VAL B 18 9.506 -10.222 -10.480 1.00 0.00 H new ATOM 599 N CYS B 19 13.257 -10.415 -10.788 1.00 0.00 N ATOM 600 CA CYS B 19 14.517 -10.108 -10.103 1.00 0.00 C ATOM 601 C CYS B 19 15.565 -11.234 -10.183 1.00 0.00 C ATOM 602 O CYS B 19 16.730 -10.976 -10.489 1.00 0.00 O ATOM 603 CB CYS B 19 14.214 -9.768 -8.639 1.00 0.00 C ATOM 604 SG CYS B 19 15.618 -9.046 -7.755 1.00 0.00 S ATOM 0 H CYS B 19 12.676 -11.096 -10.299 1.00 0.00 H new ATOM 0 HA CYS B 19 14.962 -9.257 -10.619 1.00 0.00 H new ATOM 0 HB2 CYS B 19 13.376 -9.072 -8.603 1.00 0.00 H new ATOM 0 HB3 CYS B 19 13.898 -10.674 -8.123 1.00 0.00 H new ATOM 609 N GLY B 20 15.162 -12.483 -9.910 1.00 0.00 N ATOM 610 CA GLY B 20 16.071 -13.617 -9.664 1.00 0.00 C ATOM 611 C GLY B 20 16.693 -14.186 -10.938 1.00 0.00 C ATOM 612 O GLY B 20 17.916 -14.225 -11.062 1.00 0.00 O ATOM 0 H GLY B 20 14.177 -12.741 -9.852 1.00 0.00 H new ATOM 0 HA2 GLY B 20 16.867 -13.295 -8.993 1.00 0.00 H new ATOM 0 HA3 GLY B 20 15.523 -14.408 -9.152 1.00 0.00 H new ATOM 616 N GLU B 21 15.854 -14.568 -11.902 1.00 0.00 N ATOM 617 CA GLU B 21 16.230 -15.073 -13.229 1.00 0.00 C ATOM 618 C GLU B 21 17.129 -14.076 -13.987 1.00 0.00 C ATOM 619 O GLU B 21 18.060 -14.473 -14.688 1.00 0.00 O ATOM 620 CB GLU B 21 14.928 -15.332 -14.007 1.00 0.00 C ATOM 621 CG GLU B 21 15.117 -15.988 -15.378 1.00 0.00 C ATOM 622 CD GLU B 21 15.566 -17.455 -15.287 1.00 0.00 C ATOM 623 OE1 GLU B 21 16.789 -17.717 -15.209 1.00 0.00 O ATOM 624 OE2 GLU B 21 14.695 -18.356 -15.329 1.00 0.00 O1- ATOM 0 H GLU B 21 14.843 -14.533 -11.775 1.00 0.00 H new ATOM 0 HA GLU B 21 16.809 -15.990 -13.124 1.00 0.00 H new ATOM 0 HB2 GLU B 21 14.281 -15.967 -13.402 1.00 0.00 H new ATOM 0 HB3 GLU B 21 14.408 -14.384 -14.142 1.00 0.00 H new ATOM 0 HG2 GLU B 21 14.180 -15.935 -15.932 1.00 0.00 H new ATOM 0 HG3 GLU B 21 15.856 -15.423 -15.946 1.00 0.00 H new ATOM 631 N ARG B 22 16.872 -12.774 -13.807 1.00 0.00 N ATOM 632 CA ARG B 22 17.601 -11.669 -14.446 1.00 0.00 C ATOM 633 C ARG B 22 18.880 -11.263 -13.681 1.00 0.00 C ATOM 634 O ARG B 22 19.603 -10.364 -14.119 1.00 0.00 O ATOM 635 CB ARG B 22 16.660 -10.459 -14.634 1.00 0.00 C ATOM 636 CG ARG B 22 15.260 -10.865 -15.124 1.00 0.00 C ATOM 637 CD ARG B 22 14.441 -9.686 -15.653 1.00 0.00 C ATOM 638 NE ARG B 22 13.029 -10.081 -15.784 1.00 0.00 N ATOM 639 CZ ARG B 22 12.055 -9.397 -16.365 1.00 0.00 C ATOM 640 NH1 ARG B 22 12.263 -8.233 -16.946 1.00 0.00 N1+ ATOM 641 NH2 ARG B 22 10.837 -9.894 -16.363 1.00 0.00 N ATOM 0 H ARG B 22 16.126 -12.449 -13.192 1.00 0.00 H new ATOM 0 HA ARG B 22 17.935 -12.024 -15.421 1.00 0.00 H new ATOM 0 HB2 ARG B 22 16.568 -9.925 -13.688 1.00 0.00 H new ATOM 0 HB3 ARG B 22 17.104 -9.767 -15.349 1.00 0.00 H new ATOM 0 HG2 ARG B 22 15.360 -11.612 -15.912 1.00 0.00 H new ATOM 0 HG3 ARG B 22 14.718 -11.337 -14.304 1.00 0.00 H new ATOM 0 HD2 ARG B 22 14.530 -8.836 -14.976 1.00 0.00 H new ATOM 0 HD3 ARG B 22 14.830 -9.365 -16.619 1.00 0.00 H new ATOM 0 HE ARG B 22 12.772 -10.983 -15.382 1.00 0.00 H new ATOM 0 HH11 ARG B 22 13.200 -7.829 -16.959 1.00 0.00 H new ATOM 0 HH12 ARG B 22 11.487 -7.735 -17.383 1.00 0.00 H new ATOM 0 HH21 ARG B 22 10.654 -10.794 -15.918 1.00 0.00 H new ATOM 0 HH22 ARG B 22 10.076 -9.380 -16.806 1.00 0.00 H new ATOM 655 N GLY B 23 19.143 -11.890 -12.525 1.00 0.00 N ATOM 656 CA GLY B 23 20.259 -11.595 -11.617 1.00 0.00 C ATOM 657 C GLY B 23 21.458 -12.518 -11.826 1.00 0.00 C ATOM 658 O GLY B 23 22.579 -12.039 -11.998 1.00 0.00 O ATOM 0 H GLY B 23 18.556 -12.651 -12.183 1.00 0.00 H new ATOM 0 HA2 GLY B 23 20.574 -10.561 -11.761 1.00 0.00 H new ATOM 0 HA3 GLY B 23 19.915 -11.683 -10.587 1.00 0.00 H new ATOM 662 N HIS B 24 21.237 -13.837 -11.835 1.00 0.00 N ATOM 663 CA HIS B 24 22.311 -14.833 -12.016 1.00 0.00 C ATOM 664 C HIS B 24 22.878 -14.894 -13.456 1.00 0.00 C ATOM 665 O HIS B 24 23.997 -15.370 -13.666 1.00 0.00 O ATOM 666 CB HIS B 24 21.814 -16.213 -11.551 1.00 0.00 C ATOM 667 CG HIS B 24 20.974 -16.943 -12.567 1.00 0.00 C ATOM 668 ND1 HIS B 24 21.419 -17.976 -13.394 1.00 0.00 N ATOM 669 CD2 HIS B 24 19.678 -16.661 -12.872 1.00 0.00 C ATOM 670 CE1 HIS B 24 20.371 -18.288 -14.177 1.00 0.00 C ATOM 671 NE2 HIS B 24 19.312 -17.514 -13.887 1.00 0.00 N ATOM 0 H HIS B 24 20.311 -14.249 -11.718 1.00 0.00 H new ATOM 0 HA HIS B 24 23.150 -14.513 -11.398 1.00 0.00 H new ATOM 0 HB2 HIS B 24 22.676 -16.830 -11.298 1.00 0.00 H new ATOM 0 HB3 HIS B 24 21.232 -16.088 -10.638 1.00 0.00 H new ATOM 0 HD2 HIS B 24 19.056 -15.911 -12.406 1.00 0.00 H new ATOM 0 HE1 HIS B 24 20.380 -19.056 -14.936 1.00 0.00 H new ATOM 0 HE2 HIS B 24 18.399 -17.552 -14.339 1.00 0.00 H new ATOM 679 N PHE B 25 22.110 -14.399 -14.435 1.00 0.00 N ATOM 680 CA PHE B 25 22.418 -14.389 -15.866 1.00 0.00 C ATOM 681 C PHE B 25 21.607 -13.294 -16.585 1.00 0.00 C ATOM 682 O PHE B 25 20.583 -12.830 -16.080 1.00 0.00 O ATOM 683 CB PHE B 25 22.144 -15.791 -16.446 1.00 0.00 C ATOM 684 CG PHE B 25 22.537 -15.961 -17.901 1.00 0.00 C ATOM 685 CD1 PHE B 25 23.896 -15.946 -18.271 1.00 0.00 C ATOM 686 CD2 PHE B 25 21.547 -16.114 -18.891 1.00 0.00 C ATOM 687 CE1 PHE B 25 24.261 -16.074 -19.623 1.00 0.00 C ATOM 688 CE2 PHE B 25 21.914 -16.239 -20.243 1.00 0.00 C ATOM 689 CZ PHE B 25 23.270 -16.219 -20.610 1.00 0.00 C ATOM 0 H PHE B 25 21.206 -13.971 -14.235 1.00 0.00 H new ATOM 0 HA PHE B 25 23.471 -14.153 -16.021 1.00 0.00 H new ATOM 0 HB2 PHE B 25 22.682 -16.528 -15.850 1.00 0.00 H new ATOM 0 HB3 PHE B 25 21.082 -16.011 -16.342 1.00 0.00 H new ATOM 0 HD1 PHE B 25 24.659 -15.836 -17.515 1.00 0.00 H new ATOM 0 HD2 PHE B 25 20.504 -16.135 -18.611 1.00 0.00 H new ATOM 0 HE1 PHE B 25 25.304 -16.061 -19.904 1.00 0.00 H new ATOM 0 HE2 PHE B 25 21.152 -16.351 -21.000 1.00 0.00 H new ATOM 0 HZ PHE B 25 23.551 -16.315 -21.648 1.00 0.00 H new ATOM 699 N TYR B 26 22.063 -12.862 -17.765 1.00 0.00 N ATOM 700 CA TYR B 26 21.395 -11.826 -18.561 1.00 0.00 C ATOM 701 C TYR B 26 20.070 -12.301 -19.193 1.00 0.00 C ATOM 702 O TYR B 26 19.923 -13.470 -19.568 1.00 0.00 O ATOM 703 CB TYR B 26 22.356 -11.316 -19.645 1.00 0.00 C ATOM 704 CG TYR B 26 21.836 -10.107 -20.402 1.00 0.00 C ATOM 705 CD1 TYR B 26 21.697 -8.880 -19.727 1.00 0.00 C ATOM 706 CD2 TYR B 26 21.450 -10.210 -21.755 1.00 0.00 C ATOM 707 CE1 TYR B 26 21.170 -7.759 -20.392 1.00 0.00 C ATOM 708 CE2 TYR B 26 20.944 -9.085 -22.432 1.00 0.00 C ATOM 709 CZ TYR B 26 20.788 -7.857 -21.749 1.00 0.00 C ATOM 710 OH TYR B 26 20.264 -6.771 -22.386 1.00 0.00 O ATOM 0 H TYR B 26 22.912 -13.224 -18.198 1.00 0.00 H new ATOM 0 HA TYR B 26 21.131 -11.016 -17.881 1.00 0.00 H new ATOM 0 HB2 TYR B 26 23.309 -11.061 -19.182 1.00 0.00 H new ATOM 0 HB3 TYR B 26 22.551 -12.121 -20.354 1.00 0.00 H new ATOM 0 HD1 TYR B 26 21.997 -8.799 -18.693 1.00 0.00 H new ATOM 0 HD2 TYR B 26 21.543 -11.154 -22.272 1.00 0.00 H new ATOM 0 HE1 TYR B 26 21.057 -6.823 -19.866 1.00 0.00 H new ATOM 0 HE2 TYR B 26 20.674 -9.160 -23.475 1.00 0.00 H new ATOM 0 HH TYR B 26 20.055 -7.006 -23.314 1.00 0.00 H new ATOM 720 N THR B 27 19.129 -11.366 -19.373 1.00 0.00 N ATOM 721 CA THR B 27 17.871 -11.554 -20.117 1.00 0.00 C ATOM 722 C THR B 27 17.731 -10.445 -21.170 1.00 0.00 C ATOM 723 O THR B 27 17.742 -9.270 -20.786 1.00 0.00 O ATOM 724 CB THR B 27 16.656 -11.586 -19.177 1.00 0.00 C ATOM 725 OG1 THR B 27 16.690 -10.487 -18.290 1.00 0.00 O ATOM 726 CG2 THR B 27 16.634 -12.873 -18.350 1.00 0.00 C ATOM 0 H THR B 27 19.223 -10.424 -18.993 1.00 0.00 H new ATOM 0 HA THR B 27 17.904 -12.521 -20.620 1.00 0.00 H new ATOM 0 HB THR B 27 15.762 -11.539 -19.799 1.00 0.00 H new ATOM 0 HG1 THR B 27 16.993 -9.688 -18.770 1.00 0.00 H new ATOM 0 HG21 THR B 27 15.764 -12.869 -17.694 1.00 0.00 H new ATOM 0 HG22 THR B 27 16.581 -13.733 -19.017 1.00 0.00 H new ATOM 0 HG23 THR B 27 17.541 -12.935 -17.749 1.00 0.00 H new ATOM 734 N PRO B 28 17.622 -10.775 -22.475 1.00 0.00 N ATOM 735 CA PRO B 28 17.592 -9.790 -23.551 1.00 0.00 C ATOM 736 C PRO B 28 16.225 -9.103 -23.663 1.00 0.00 C ATOM 737 O PRO B 28 15.206 -9.618 -23.202 1.00 0.00 O ATOM 738 CB PRO B 28 17.967 -10.565 -24.815 1.00 0.00 C ATOM 739 CG PRO B 28 17.395 -11.954 -24.543 1.00 0.00 C ATOM 740 CD PRO B 28 17.627 -12.120 -23.040 1.00 0.00 C ATOM 0 HA PRO B 28 18.289 -8.972 -23.370 1.00 0.00 H new ATOM 0 HB2 PRO B 28 17.532 -10.116 -25.708 1.00 0.00 H new ATOM 0 HB3 PRO B 28 19.046 -10.595 -24.966 1.00 0.00 H new ATOM 0 HG2 PRO B 28 16.337 -12.014 -24.799 1.00 0.00 H new ATOM 0 HG3 PRO B 28 17.907 -12.724 -25.120 1.00 0.00 H new ATOM 0 HD2 PRO B 28 16.846 -12.733 -22.591 1.00 0.00 H new ATOM 0 HD3 PRO B 28 18.576 -12.620 -22.846 1.00 0.00 H new ATOM 748 N LYS B 29 16.219 -7.916 -24.276 1.00 0.00 N ATOM 749 CA LYS B 29 15.051 -7.025 -24.355 1.00 0.00 C ATOM 750 C LYS B 29 14.295 -7.133 -25.698 1.00 0.00 C ATOM 751 O LYS B 29 14.851 -7.575 -26.711 1.00 0.00 O ATOM 752 CB LYS B 29 15.502 -5.573 -24.078 1.00 0.00 C ATOM 753 CG LYS B 29 16.381 -5.377 -22.826 1.00 0.00 C ATOM 754 CD LYS B 29 15.750 -5.919 -21.531 1.00 0.00 C ATOM 755 CE LYS B 29 16.630 -5.656 -20.300 1.00 0.00 C ATOM 756 NZ LYS B 29 17.897 -6.434 -20.330 1.00 0.00 N1+ ATOM 0 H LYS B 29 17.043 -7.537 -24.742 1.00 0.00 H new ATOM 0 HA LYS B 29 14.338 -7.341 -23.594 1.00 0.00 H new ATOM 0 HB2 LYS B 29 16.052 -5.210 -24.947 1.00 0.00 H new ATOM 0 HB3 LYS B 29 14.614 -4.948 -23.979 1.00 0.00 H new ATOM 0 HG2 LYS B 29 17.340 -5.871 -22.986 1.00 0.00 H new ATOM 0 HG3 LYS B 29 16.587 -4.314 -22.701 1.00 0.00 H new ATOM 0 HD2 LYS B 29 14.774 -5.456 -21.383 1.00 0.00 H new ATOM 0 HD3 LYS B 29 15.582 -6.991 -21.632 1.00 0.00 H new ATOM 0 HE2 LYS B 29 16.862 -4.592 -20.243 1.00 0.00 H new ATOM 0 HE3 LYS B 29 16.073 -5.909 -19.398 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 18.424 -6.274 -19.448 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 17.680 -7.447 -20.425 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 18.474 -6.126 -21.138 1.00 0.00 H new ATOM 770 N THR B 30 13.025 -6.701 -25.709 1.00 0.00 N ATOM 771 CA THR B 30 12.154 -6.633 -26.907 1.00 0.00 C ATOM 772 C THR B 30 12.398 -5.343 -27.696 1.00 0.00 C ATOM 773 O THR B 30 12.294 -4.244 -27.103 1.00 0.00 O ATOM 774 CB THR B 30 10.674 -6.752 -26.522 1.00 0.00 C ATOM 775 OG1 THR B 30 10.473 -7.975 -25.839 1.00 0.00 O ATOM 776 CG2 THR B 30 9.740 -6.767 -27.735 1.00 0.00 C ATOM 777 OXT THR B 30 12.715 -5.432 -28.904 1.00 0.00 O1- ATOM 0 H THR B 30 12.556 -6.378 -24.863 1.00 0.00 H new ATOM 0 HA THR B 30 12.410 -7.478 -27.546 1.00 0.00 H new ATOM 0 HB THR B 30 10.441 -5.881 -25.909 1.00 0.00 H new ATOM 0 HG1 THR B 30 9.529 -8.058 -25.588 1.00 0.00 H new ATOM 0 HG21 THR B 30 8.707 -6.853 -27.398 1.00 0.00 H new ATOM 0 HG22 THR B 30 9.862 -5.843 -28.299 1.00 0.00 H new ATOM 0 HG23 THR B 30 9.985 -7.616 -28.373 1.00 0.00 H new TER 785 THR B 30