USER MOD reduce.3.24.130724 H: found=0, std=0, add=383, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 381 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: A 21 ASN : amide:sc= -2.85! C(o=-4.3!,f=-4.8!) USER MOD Set 1.2: B 26 TYR OH : rot 70:sc= -1.45! USER MOD Single : A 1 GLY N :NH3+ 131:sc= 0.0472 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.0125 USER MOD Single : A 9 SER OG : rot -59:sc= -0.201! USER MOD Single : A 12 SER OG : rot -155:sc= -0.414 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 18 ASN : amide:sc= -2.08! C(o=-2.1!,f=-4.3!) USER MOD Single : A 19 TYR OH : rot 180:sc= -0.077 USER MOD Single : B 1 PHE N :NH3+ 145:sc= 0.599 (180deg=0.131) USER MOD Single : B 3 ASN : amide:sc= -8.14! C(o=-8.1!,f=-19!) USER MOD Single : B 4 GLN : amide:sc= 0.906 K(o=0.91,f=-0.045) USER MOD Single : B 5 HIS :FLIP no HE2:sc= -13.2! C(o=-15!,f=-13!) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 10 HIS :FLIP no HD1:sc= -0.234 F(o=-1.1,f=-0.23) USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 28 THR OG1 : rot 180:sc= -0.211 USER MOD Single : B 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 THR OG1 : rot 180:sc= -2.33! USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.239 -0.984 -8.112 1.00 0.00 N ATOM 2 CA GLY A 1 -5.447 -0.529 -6.934 1.00 0.00 C ATOM 3 C GLY A 1 -3.988 -0.326 -7.347 1.00 0.00 C ATOM 4 O GLY A 1 -3.480 -1.001 -8.220 1.00 0.00 O ATOM 0 H1 GLY A 1 -6.806 -1.815 -7.849 1.00 0.00 H new ATOM 0 H2 GLY A 1 -6.870 -0.218 -8.423 1.00 0.00 H new ATOM 0 H3 GLY A 1 -5.594 -1.237 -8.888 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -5.858 0.402 -6.544 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -5.510 -1.266 -6.133 1.00 0.00 H new ATOM 10 N ILE A 2 -3.310 0.600 -6.726 1.00 0.00 N ATOM 11 CA ILE A 2 -1.884 0.849 -7.083 1.00 0.00 C ATOM 12 C ILE A 2 -1.033 -0.349 -6.659 1.00 0.00 C ATOM 13 O ILE A 2 -0.035 -0.664 -7.277 1.00 0.00 O ATOM 14 CB ILE A 2 -1.389 2.103 -6.360 1.00 0.00 C ATOM 15 CG1 ILE A 2 -1.874 2.079 -4.908 1.00 0.00 C ATOM 16 CG2 ILE A 2 -1.939 3.347 -7.059 1.00 0.00 C ATOM 17 CD1 ILE A 2 -1.052 3.066 -4.079 1.00 0.00 C ATOM 0 H ILE A 2 -3.682 1.196 -5.986 1.00 0.00 H new ATOM 0 HA ILE A 2 -1.801 0.991 -8.160 1.00 0.00 H new ATOM 0 HB ILE A 2 -0.299 2.127 -6.380 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -2.931 2.341 -4.862 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -1.777 1.074 -4.498 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -1.586 4.240 -6.543 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -1.595 3.365 -8.093 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -3.029 3.324 -7.039 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -1.397 3.049 -3.045 1.00 0.00 H new ATOM 0 HD12 ILE A 2 0.000 2.783 -4.115 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -1.172 4.070 -4.485 1.00 0.00 H new ATOM 29 N VAL A 3 -1.418 -1.019 -5.610 1.00 0.00 N ATOM 30 CA VAL A 3 -0.639 -2.190 -5.144 1.00 0.00 C ATOM 31 C VAL A 3 -0.717 -3.296 -6.200 1.00 0.00 C ATOM 32 O VAL A 3 0.265 -3.938 -6.517 1.00 0.00 O ATOM 33 CB VAL A 3 -1.235 -2.665 -3.814 1.00 0.00 C ATOM 34 CG1 VAL A 3 -0.913 -4.137 -3.589 1.00 0.00 C ATOM 35 CG2 VAL A 3 -0.644 -1.837 -2.670 1.00 0.00 C ATOM 0 H VAL A 3 -2.245 -0.801 -5.054 1.00 0.00 H new ATOM 0 HA VAL A 3 0.409 -1.928 -4.996 1.00 0.00 H new ATOM 0 HB VAL A 3 -2.317 -2.538 -3.844 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -1.342 -4.462 -2.641 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -1.335 -4.730 -4.401 1.00 0.00 H new ATOM 0 HG13 VAL A 3 0.168 -4.273 -3.564 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -1.066 -2.172 -1.723 1.00 0.00 H new ATOM 0 HG22 VAL A 3 0.438 -1.964 -2.650 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -0.883 -0.784 -2.821 1.00 0.00 H new ATOM 45 N GLU A 4 -1.876 -3.518 -6.748 1.00 0.00 N ATOM 46 CA GLU A 4 -2.019 -4.576 -7.785 1.00 0.00 C ATOM 47 C GLU A 4 -1.258 -4.155 -9.043 1.00 0.00 C ATOM 48 O GLU A 4 -0.657 -4.966 -9.719 1.00 0.00 O ATOM 49 CB GLU A 4 -3.500 -4.766 -8.122 1.00 0.00 C ATOM 50 CG GLU A 4 -4.153 -5.658 -7.064 1.00 0.00 C ATOM 51 CD GLU A 4 -5.277 -6.472 -7.706 1.00 0.00 C ATOM 52 OE1 GLU A 4 -5.710 -6.101 -8.784 1.00 0.00 O ATOM 53 OE2 GLU A 4 -5.687 -7.454 -7.108 1.00 0.00 O ATOM 0 H GLU A 4 -2.733 -3.012 -6.523 1.00 0.00 H new ATOM 0 HA GLU A 4 -1.612 -5.514 -7.408 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -4.003 -3.799 -8.159 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -3.605 -5.217 -9.109 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -3.410 -6.325 -6.627 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -4.549 -5.047 -6.253 1.00 0.00 H new ATOM 60 N GLN A 5 -1.281 -2.891 -9.359 1.00 0.00 N ATOM 61 CA GLN A 5 -0.560 -2.410 -10.571 1.00 0.00 C ATOM 62 C GLN A 5 0.932 -2.279 -10.260 1.00 0.00 C ATOM 63 O GLN A 5 1.776 -2.583 -11.079 1.00 0.00 O ATOM 64 CB GLN A 5 -1.116 -1.046 -10.985 1.00 0.00 C ATOM 65 CG GLN A 5 -0.351 -0.530 -12.205 1.00 0.00 C ATOM 66 CD GLN A 5 -1.003 0.759 -12.709 1.00 0.00 C ATOM 67 OE1 GLN A 5 -0.633 1.841 -12.298 1.00 0.00 O ATOM 68 NE2 GLN A 5 -1.965 0.688 -13.588 1.00 0.00 N ATOM 0 H GLN A 5 -1.769 -2.168 -8.830 1.00 0.00 H new ATOM 0 HA GLN A 5 -0.700 -3.123 -11.384 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -2.178 -1.130 -11.217 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -1.025 -0.339 -10.160 1.00 0.00 H new ATOM 0 HG2 GLN A 5 0.691 -0.345 -11.943 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -0.352 -1.283 -12.993 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -2.275 -0.221 -13.933 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -2.407 1.541 -13.931 1.00 0.00 H new ATOM 77 N CYS A 6 1.262 -1.828 -9.082 1.00 0.00 N ATOM 78 CA CYS A 6 2.699 -1.676 -8.717 1.00 0.00 C ATOM 79 C CYS A 6 3.150 -2.887 -7.897 1.00 0.00 C ATOM 80 O CYS A 6 4.215 -2.890 -7.312 1.00 0.00 O ATOM 81 CB CYS A 6 2.884 -0.402 -7.890 1.00 0.00 C ATOM 82 SG CYS A 6 3.843 0.803 -8.841 1.00 0.00 S ATOM 0 H CYS A 6 0.599 -1.558 -8.356 1.00 0.00 H new ATOM 0 HA CYS A 6 3.298 -1.610 -9.625 1.00 0.00 H new ATOM 0 HB2 CYS A 6 1.913 0.017 -7.626 1.00 0.00 H new ATOM 0 HB3 CYS A 6 3.395 -0.634 -6.956 1.00 0.00 H new ATOM 87 N CYS A 7 2.346 -3.915 -7.845 1.00 0.00 N ATOM 88 CA CYS A 7 2.730 -5.122 -7.059 1.00 0.00 C ATOM 89 C CYS A 7 4.199 -5.463 -7.313 1.00 0.00 C ATOM 90 O CYS A 7 4.853 -6.064 -6.486 1.00 0.00 O ATOM 91 CB CYS A 7 1.858 -6.308 -7.472 1.00 0.00 C ATOM 92 SG CYS A 7 2.435 -7.797 -6.618 1.00 0.00 S ATOM 0 H CYS A 7 1.441 -3.971 -8.312 1.00 0.00 H new ATOM 0 HA CYS A 7 2.584 -4.914 -5.999 1.00 0.00 H new ATOM 0 HB2 CYS A 7 0.815 -6.112 -7.223 1.00 0.00 H new ATOM 0 HB3 CYS A 7 1.906 -6.452 -8.551 1.00 0.00 H new ATOM 97 N THR A 8 4.724 -5.087 -8.448 1.00 0.00 N ATOM 98 CA THR A 8 6.152 -5.395 -8.746 1.00 0.00 C ATOM 99 C THR A 8 6.998 -5.132 -7.498 1.00 0.00 C ATOM 100 O THR A 8 7.858 -5.913 -7.141 1.00 0.00 O ATOM 101 CB THR A 8 6.637 -4.502 -9.891 1.00 0.00 C ATOM 102 OG1 THR A 8 6.364 -3.144 -9.578 1.00 0.00 O ATOM 103 CG2 THR A 8 5.910 -4.886 -11.181 1.00 0.00 C ATOM 0 H THR A 8 4.227 -4.581 -9.181 1.00 0.00 H new ATOM 0 HA THR A 8 6.248 -6.441 -9.037 1.00 0.00 H new ATOM 0 HB THR A 8 7.710 -4.635 -10.027 1.00 0.00 H new ATOM 0 HG1 THR A 8 6.675 -2.571 -10.309 1.00 0.00 H new ATOM 0 HG21 THR A 8 6.255 -4.250 -11.996 1.00 0.00 H new ATOM 0 HG22 THR A 8 6.120 -5.929 -11.420 1.00 0.00 H new ATOM 0 HG23 THR A 8 4.836 -4.753 -11.047 1.00 0.00 H new ATOM 111 N SER A 9 6.752 -4.040 -6.829 1.00 0.00 N ATOM 112 CA SER A 9 7.528 -3.719 -5.597 1.00 0.00 C ATOM 113 C SER A 9 6.898 -2.501 -4.918 1.00 0.00 C ATOM 114 O SER A 9 5.693 -2.356 -4.888 1.00 0.00 O ATOM 115 CB SER A 9 8.976 -3.404 -5.967 1.00 0.00 C ATOM 116 OG SER A 9 9.325 -4.101 -7.156 1.00 0.00 O ATOM 0 H SER A 9 6.043 -3.352 -7.084 1.00 0.00 H new ATOM 0 HA SER A 9 7.511 -4.573 -4.919 1.00 0.00 H new ATOM 0 HB2 SER A 9 9.100 -2.331 -6.112 1.00 0.00 H new ATOM 0 HB3 SER A 9 9.641 -3.694 -5.154 1.00 0.00 H new ATOM 0 HG SER A 9 9.215 -5.065 -7.014 1.00 0.00 H new ATOM 122 N ILE A 10 7.696 -1.620 -4.375 1.00 0.00 N ATOM 123 CA ILE A 10 7.119 -0.421 -3.711 1.00 0.00 C ATOM 124 C ILE A 10 7.384 0.813 -4.574 1.00 0.00 C ATOM 125 O ILE A 10 8.511 1.225 -4.768 1.00 0.00 O ATOM 126 CB ILE A 10 7.742 -0.259 -2.312 1.00 0.00 C ATOM 127 CG1 ILE A 10 6.747 0.461 -1.393 1.00 0.00 C ATOM 128 CG2 ILE A 10 9.047 0.542 -2.384 1.00 0.00 C ATOM 129 CD1 ILE A 10 6.737 1.961 -1.701 1.00 0.00 C ATOM 0 H ILE A 10 8.714 -1.680 -4.364 1.00 0.00 H new ATOM 0 HA ILE A 10 6.041 -0.539 -3.597 1.00 0.00 H new ATOM 0 HB ILE A 10 7.967 -1.249 -1.914 1.00 0.00 H new ATOM 0 HG12 ILE A 10 5.748 0.047 -1.530 1.00 0.00 H new ATOM 0 HG13 ILE A 10 7.019 0.298 -0.350 1.00 0.00 H new ATOM 0 HG21 ILE A 10 9.468 0.643 -1.384 1.00 0.00 H new ATOM 0 HG22 ILE A 10 9.758 0.022 -3.026 1.00 0.00 H new ATOM 0 HG23 ILE A 10 8.844 1.532 -2.794 1.00 0.00 H new ATOM 0 HD11 ILE A 10 6.027 2.463 -1.043 1.00 0.00 H new ATOM 0 HD12 ILE A 10 7.734 2.372 -1.541 1.00 0.00 H new ATOM 0 HD13 ILE A 10 6.443 2.117 -2.739 1.00 0.00 H new ATOM 141 N CYS A 11 6.350 1.412 -5.092 1.00 0.00 N ATOM 142 CA CYS A 11 6.546 2.622 -5.930 1.00 0.00 C ATOM 143 C CYS A 11 6.255 3.850 -5.074 1.00 0.00 C ATOM 144 O CYS A 11 5.169 4.007 -4.554 1.00 0.00 O ATOM 145 CB CYS A 11 5.585 2.582 -7.121 1.00 0.00 C ATOM 146 SG CYS A 11 5.603 0.928 -7.856 1.00 0.00 S ATOM 0 H CYS A 11 5.381 1.116 -4.971 1.00 0.00 H new ATOM 0 HA CYS A 11 7.569 2.660 -6.304 1.00 0.00 H new ATOM 0 HB2 CYS A 11 4.576 2.836 -6.796 1.00 0.00 H new ATOM 0 HB3 CYS A 11 5.878 3.325 -7.863 1.00 0.00 H new ATOM 151 N SER A 12 7.216 4.719 -4.927 1.00 0.00 N ATOM 152 CA SER A 12 7.013 5.939 -4.105 1.00 0.00 C ATOM 153 C SER A 12 6.204 5.598 -2.852 1.00 0.00 C ATOM 154 O SER A 12 4.991 5.580 -2.877 1.00 0.00 O ATOM 155 CB SER A 12 6.258 6.984 -4.927 1.00 0.00 C ATOM 156 OG SER A 12 6.143 6.531 -6.270 1.00 0.00 O ATOM 0 H SER A 12 8.142 4.633 -5.347 1.00 0.00 H new ATOM 0 HA SER A 12 7.984 6.335 -3.807 1.00 0.00 H new ATOM 0 HB2 SER A 12 5.269 7.153 -4.502 1.00 0.00 H new ATOM 0 HB3 SER A 12 6.785 7.938 -4.896 1.00 0.00 H new ATOM 0 HG SER A 12 6.038 7.301 -6.867 1.00 0.00 H new ATOM 162 N LEU A 13 6.852 5.354 -1.745 1.00 0.00 N ATOM 163 CA LEU A 13 6.081 5.053 -0.511 1.00 0.00 C ATOM 164 C LEU A 13 5.096 6.193 -0.336 1.00 0.00 C ATOM 165 O LEU A 13 3.999 6.028 0.159 1.00 0.00 O ATOM 166 CB LEU A 13 7.021 4.980 0.696 1.00 0.00 C ATOM 167 CG LEU A 13 6.269 4.399 1.895 1.00 0.00 C ATOM 168 CD1 LEU A 13 5.213 5.398 2.371 1.00 0.00 C ATOM 169 CD2 LEU A 13 5.586 3.093 1.483 1.00 0.00 C ATOM 0 H LEU A 13 7.867 5.350 -1.644 1.00 0.00 H new ATOM 0 HA LEU A 13 5.570 4.094 -0.588 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.885 4.359 0.460 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.398 5.974 0.937 1.00 0.00 H new ATOM 0 HG LEU A 13 6.973 4.203 2.704 1.00 0.00 H new ATOM 0 HD11 LEU A 13 4.678 4.983 3.225 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.699 6.329 2.665 1.00 0.00 H new ATOM 0 HD13 LEU A 13 4.509 5.596 1.563 1.00 0.00 H new ATOM 0 HD21 LEU A 13 5.050 2.678 2.336 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.883 3.290 0.673 1.00 0.00 H new ATOM 0 HD23 LEU A 13 6.338 2.380 1.145 1.00 0.00 H new ATOM 181 N TYR A 14 5.481 7.347 -0.789 1.00 0.00 N ATOM 182 CA TYR A 14 4.576 8.520 -0.713 1.00 0.00 C ATOM 183 C TYR A 14 3.341 8.202 -1.548 1.00 0.00 C ATOM 184 O TYR A 14 2.238 8.598 -1.227 1.00 0.00 O ATOM 185 CB TYR A 14 5.284 9.752 -1.280 1.00 0.00 C ATOM 186 CG TYR A 14 4.834 10.986 -0.535 1.00 0.00 C ATOM 187 CD1 TYR A 14 4.816 10.991 0.865 1.00 0.00 C ATOM 188 CD2 TYR A 14 4.437 12.125 -1.245 1.00 0.00 C ATOM 189 CE1 TYR A 14 4.400 12.137 1.555 1.00 0.00 C ATOM 190 CE2 TYR A 14 4.022 13.270 -0.555 1.00 0.00 C ATOM 191 CZ TYR A 14 4.003 13.276 0.845 1.00 0.00 C ATOM 192 OH TYR A 14 3.594 14.405 1.524 1.00 0.00 O ATOM 0 H TYR A 14 6.391 7.530 -1.212 1.00 0.00 H new ATOM 0 HA TYR A 14 4.296 8.727 0.320 1.00 0.00 H new ATOM 0 HB2 TYR A 14 6.364 9.636 -1.191 1.00 0.00 H new ATOM 0 HB3 TYR A 14 5.061 9.855 -2.342 1.00 0.00 H new ATOM 0 HD1 TYR A 14 5.123 10.112 1.413 1.00 0.00 H new ATOM 0 HD2 TYR A 14 4.451 12.120 -2.325 1.00 0.00 H new ATOM 0 HE1 TYR A 14 4.386 12.142 2.635 1.00 0.00 H new ATOM 0 HE2 TYR A 14 3.716 14.149 -1.103 1.00 0.00 H new ATOM 0 HH TYR A 14 3.354 15.104 0.881 1.00 0.00 H new ATOM 202 N GLN A 15 3.519 7.466 -2.614 1.00 0.00 N ATOM 203 CA GLN A 15 2.354 7.097 -3.462 1.00 0.00 C ATOM 204 C GLN A 15 1.471 6.127 -2.677 1.00 0.00 C ATOM 205 O GLN A 15 0.267 6.275 -2.619 1.00 0.00 O ATOM 206 CB GLN A 15 2.842 6.423 -4.746 1.00 0.00 C ATOM 207 CG GLN A 15 2.964 7.467 -5.857 1.00 0.00 C ATOM 208 CD GLN A 15 1.954 7.154 -6.963 1.00 0.00 C ATOM 209 OE1 GLN A 15 0.796 6.908 -6.693 1.00 0.00 O ATOM 210 NE2 GLN A 15 2.348 7.154 -8.207 1.00 0.00 N ATOM 0 H GLN A 15 4.419 7.107 -2.931 1.00 0.00 H new ATOM 0 HA GLN A 15 1.788 7.990 -3.726 1.00 0.00 H new ATOM 0 HB2 GLN A 15 3.806 5.945 -4.574 1.00 0.00 H new ATOM 0 HB3 GLN A 15 2.146 5.639 -5.044 1.00 0.00 H new ATOM 0 HG2 GLN A 15 2.783 8.464 -5.456 1.00 0.00 H new ATOM 0 HG3 GLN A 15 3.976 7.466 -6.263 1.00 0.00 H new ATOM 0 HE21 GLN A 15 3.321 7.361 -8.434 1.00 0.00 H new ATOM 0 HE22 GLN A 15 1.683 6.947 -8.953 1.00 0.00 H new ATOM 219 N LEU A 16 2.066 5.144 -2.052 1.00 0.00 N ATOM 220 CA LEU A 16 1.263 4.181 -1.253 1.00 0.00 C ATOM 221 C LEU A 16 0.747 4.907 -0.013 1.00 0.00 C ATOM 222 O LEU A 16 -0.397 4.768 0.373 1.00 0.00 O ATOM 223 CB LEU A 16 2.142 3.001 -0.833 1.00 0.00 C ATOM 224 CG LEU A 16 2.348 2.069 -2.028 1.00 0.00 C ATOM 225 CD1 LEU A 16 3.505 1.111 -1.737 1.00 0.00 C ATOM 226 CD2 LEU A 16 1.070 1.264 -2.272 1.00 0.00 C ATOM 0 H LEU A 16 3.071 4.970 -2.062 1.00 0.00 H new ATOM 0 HA LEU A 16 0.428 3.803 -1.843 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.104 3.362 -0.469 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.674 2.459 -0.012 1.00 0.00 H new ATOM 0 HG LEU A 16 2.581 2.661 -2.913 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.651 0.447 -2.589 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.416 1.683 -1.563 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.273 0.519 -0.852 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.216 0.599 -3.124 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.837 0.673 -1.386 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.245 1.945 -2.480 1.00 0.00 H new ATOM 238 N GLU A 17 1.584 5.695 0.607 1.00 0.00 N ATOM 239 CA GLU A 17 1.144 6.446 1.813 1.00 0.00 C ATOM 240 C GLU A 17 0.018 7.403 1.415 1.00 0.00 C ATOM 241 O GLU A 17 -0.944 7.582 2.136 1.00 0.00 O ATOM 242 CB GLU A 17 2.322 7.246 2.375 1.00 0.00 C ATOM 243 CG GLU A 17 2.424 7.017 3.884 1.00 0.00 C ATOM 244 CD GLU A 17 1.204 7.627 4.577 1.00 0.00 C ATOM 245 OE1 GLU A 17 0.439 8.297 3.903 1.00 0.00 O ATOM 246 OE2 GLU A 17 1.056 7.415 5.769 1.00 0.00 O ATOM 0 H GLU A 17 2.553 5.850 0.329 1.00 0.00 H new ATOM 0 HA GLU A 17 0.788 5.751 2.574 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.248 6.941 1.887 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.187 8.307 2.166 1.00 0.00 H new ATOM 0 HG2 GLU A 17 2.481 5.950 4.097 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.338 7.468 4.270 1.00 0.00 H new ATOM 253 N ASN A 18 0.129 8.013 0.265 1.00 0.00 N ATOM 254 CA ASN A 18 -0.934 8.953 -0.193 1.00 0.00 C ATOM 255 C ASN A 18 -2.250 8.188 -0.371 1.00 0.00 C ATOM 256 O ASN A 18 -3.318 8.766 -0.399 1.00 0.00 O ATOM 257 CB ASN A 18 -0.523 9.575 -1.529 1.00 0.00 C ATOM 258 CG ASN A 18 0.544 10.643 -1.289 1.00 0.00 C ATOM 259 OD1 ASN A 18 0.771 11.051 -0.167 1.00 0.00 O ATOM 260 ND2 ASN A 18 1.214 11.118 -2.304 1.00 0.00 N ATOM 0 H ASN A 18 0.912 7.900 -0.378 1.00 0.00 H new ATOM 0 HA ASN A 18 -1.068 9.740 0.549 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -0.138 8.805 -2.197 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -1.391 10.017 -2.019 1.00 0.00 H new ATOM 0 HD21 ASN A 18 1.928 11.831 -2.155 1.00 0.00 H new ATOM 0 HD22 ASN A 18 1.024 10.776 -3.246 1.00 0.00 H new ATOM 267 N TYR A 19 -2.176 6.890 -0.501 1.00 0.00 N ATOM 268 CA TYR A 19 -3.413 6.076 -0.690 1.00 0.00 C ATOM 269 C TYR A 19 -4.393 6.300 0.468 1.00 0.00 C ATOM 270 O TYR A 19 -5.534 5.891 0.400 1.00 0.00 O ATOM 271 CB TYR A 19 -3.037 4.597 -0.749 1.00 0.00 C ATOM 272 CG TYR A 19 -3.883 3.905 -1.790 1.00 0.00 C ATOM 273 CD1 TYR A 19 -3.868 4.357 -3.114 1.00 0.00 C ATOM 274 CD2 TYR A 19 -4.681 2.813 -1.432 1.00 0.00 C ATOM 275 CE1 TYR A 19 -4.652 3.718 -4.081 1.00 0.00 C ATOM 276 CE2 TYR A 19 -5.466 2.172 -2.399 1.00 0.00 C ATOM 277 CZ TYR A 19 -5.451 2.625 -3.724 1.00 0.00 C ATOM 278 OH TYR A 19 -6.224 1.994 -4.678 1.00 0.00 O ATOM 0 H TYR A 19 -1.307 6.356 -0.484 1.00 0.00 H new ATOM 0 HA TYR A 19 -3.893 6.381 -1.620 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -1.980 4.489 -0.993 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -3.188 4.133 0.226 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -3.251 5.199 -3.390 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -4.692 2.464 -0.410 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -4.641 4.068 -5.103 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -6.082 1.329 -2.123 1.00 0.00 H new ATOM 0 HH TYR A 19 -6.716 1.255 -4.264 1.00 0.00 H new ATOM 288 N CYS A 20 -3.955 6.933 1.529 1.00 0.00 N ATOM 289 CA CYS A 20 -4.859 7.181 2.697 1.00 0.00 C ATOM 290 C CYS A 20 -6.280 7.479 2.213 1.00 0.00 C ATOM 291 O CYS A 20 -6.495 7.881 1.087 1.00 0.00 O ATOM 292 CB CYS A 20 -4.347 8.385 3.488 1.00 0.00 C ATOM 293 SG CYS A 20 -4.289 7.977 5.250 1.00 0.00 S ATOM 0 H CYS A 20 -3.006 7.290 1.637 1.00 0.00 H new ATOM 0 HA CYS A 20 -4.870 6.292 3.327 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -3.354 8.667 3.137 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -4.999 9.243 3.325 1.00 0.00 H new ATOM 298 N ASN A 21 -7.250 7.288 3.061 1.00 0.00 N ATOM 299 CA ASN A 21 -8.659 7.559 2.660 1.00 0.00 C ATOM 300 C ASN A 21 -9.356 8.364 3.759 1.00 0.00 C ATOM 301 O ASN A 21 -9.476 9.568 3.599 1.00 0.00 O ATOM 302 CB ASN A 21 -9.392 6.230 2.456 1.00 0.00 C ATOM 303 CG ASN A 21 -10.875 6.499 2.189 1.00 0.00 C ATOM 304 OD1 ASN A 21 -11.328 7.622 2.286 1.00 0.00 O ATOM 305 ND2 ASN A 21 -11.654 5.508 1.854 1.00 0.00 N ATOM 306 OXT ASN A 21 -9.758 7.763 4.742 1.00 0.00 O ATOM 0 H ASN A 21 -7.128 6.955 4.017 1.00 0.00 H new ATOM 0 HA ASN A 21 -8.672 8.129 1.731 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -8.954 5.686 1.619 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -9.279 5.601 3.339 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -12.644 5.676 1.673 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -11.273 4.565 1.773 1.00 0.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 1 17.169 4.678 2.464 1.00 0.00 N ATOM 315 CA PHE B 1 16.643 4.743 1.071 1.00 0.00 C ATOM 316 C PHE B 1 15.219 4.184 1.036 1.00 0.00 C ATOM 317 O PHE B 1 14.769 3.548 1.969 1.00 0.00 O ATOM 318 CB PHE B 1 17.538 3.914 0.148 1.00 0.00 C ATOM 319 CG PHE B 1 18.957 4.422 0.232 1.00 0.00 C ATOM 320 CD1 PHE B 1 19.300 5.641 -0.364 1.00 0.00 C ATOM 321 CD2 PHE B 1 19.929 3.673 0.905 1.00 0.00 C ATOM 322 CE1 PHE B 1 20.616 6.112 -0.286 1.00 0.00 C ATOM 323 CE2 PHE B 1 21.245 4.144 0.983 1.00 0.00 C ATOM 324 CZ PHE B 1 21.589 5.363 0.387 1.00 0.00 C ATOM 0 H1 PHE B 1 18.188 4.472 2.441 1.00 0.00 H new ATOM 0 H2 PHE B 1 17.010 5.590 2.938 1.00 0.00 H new ATOM 0 H3 PHE B 1 16.676 3.926 2.987 1.00 0.00 H new ATOM 0 HA PHE B 1 16.635 5.780 0.735 1.00 0.00 H new ATOM 0 HB2 PHE B 1 17.499 2.863 0.434 1.00 0.00 H new ATOM 0 HB3 PHE B 1 17.178 3.978 -0.879 1.00 0.00 H new ATOM 0 HD1 PHE B 1 18.550 6.218 -0.884 1.00 0.00 H new ATOM 0 HD2 PHE B 1 19.664 2.732 1.364 1.00 0.00 H new ATOM 0 HE1 PHE B 1 20.881 7.053 -0.745 1.00 0.00 H new ATOM 0 HE2 PHE B 1 21.995 3.567 1.503 1.00 0.00 H new ATOM 0 HZ PHE B 1 22.605 5.726 0.446 1.00 0.00 H new ATOM 336 N VAL B 2 14.507 4.415 -0.033 1.00 0.00 N ATOM 337 CA VAL B 2 13.113 3.895 -0.127 1.00 0.00 C ATOM 338 C VAL B 2 13.117 2.384 0.117 1.00 0.00 C ATOM 339 O VAL B 2 14.144 1.738 0.048 1.00 0.00 O ATOM 340 CB VAL B 2 12.552 4.187 -1.519 1.00 0.00 C ATOM 341 CG1 VAL B 2 12.580 5.695 -1.775 1.00 0.00 C ATOM 342 CG2 VAL B 2 13.406 3.477 -2.573 1.00 0.00 C ATOM 0 H VAL B 2 14.830 4.941 -0.845 1.00 0.00 H new ATOM 0 HA VAL B 2 12.491 4.383 0.623 1.00 0.00 H new ATOM 0 HB VAL B 2 11.525 3.826 -1.579 1.00 0.00 H new ATOM 0 HG11 VAL B 2 12.180 5.903 -2.767 1.00 0.00 H new ATOM 0 HG12 VAL B 2 11.973 6.203 -1.025 1.00 0.00 H new ATOM 0 HG13 VAL B 2 13.607 6.055 -1.715 1.00 0.00 H new ATOM 0 HG21 VAL B 2 13.006 3.685 -3.566 1.00 0.00 H new ATOM 0 HG22 VAL B 2 14.433 3.838 -2.512 1.00 0.00 H new ATOM 0 HG23 VAL B 2 13.388 2.402 -2.392 1.00 0.00 H new ATOM 352 N ASN B 3 11.978 1.816 0.404 1.00 0.00 N ATOM 353 CA ASN B 3 11.920 0.348 0.654 1.00 0.00 C ATOM 354 C ASN B 3 11.681 -0.388 -0.666 1.00 0.00 C ATOM 355 O ASN B 3 11.970 0.118 -1.733 1.00 0.00 O ATOM 356 CB ASN B 3 10.776 0.041 1.622 1.00 0.00 C ATOM 357 CG ASN B 3 9.437 0.282 0.922 1.00 0.00 C ATOM 358 OD1 ASN B 3 8.922 -0.591 0.252 1.00 0.00 O ATOM 359 ND2 ASN B 3 8.846 1.438 1.051 1.00 0.00 N ATOM 0 H ASN B 3 11.086 2.305 0.476 1.00 0.00 H new ATOM 0 HA ASN B 3 12.864 0.017 1.088 1.00 0.00 H new ATOM 0 HB2 ASN B 3 10.840 -0.993 1.961 1.00 0.00 H new ATOM 0 HB3 ASN B 3 10.855 0.673 2.507 1.00 0.00 H new ATOM 0 HD21 ASN B 3 7.952 1.608 0.590 1.00 0.00 H new ATOM 0 HD22 ASN B 3 9.278 2.171 1.613 1.00 0.00 H new ATOM 366 N GLN B 4 11.156 -1.581 -0.602 1.00 0.00 N ATOM 367 CA GLN B 4 10.899 -2.353 -1.850 1.00 0.00 C ATOM 368 C GLN B 4 10.506 -3.786 -1.486 1.00 0.00 C ATOM 369 O GLN B 4 11.165 -4.735 -1.861 1.00 0.00 O ATOM 370 CB GLN B 4 12.167 -2.375 -2.707 1.00 0.00 C ATOM 371 CG GLN B 4 11.928 -1.583 -3.994 1.00 0.00 C ATOM 372 CD GLN B 4 13.244 -0.961 -4.463 1.00 0.00 C ATOM 373 OE1 GLN B 4 13.700 -1.226 -5.557 1.00 0.00 O ATOM 374 NE2 GLN B 4 13.880 -0.138 -3.674 1.00 0.00 N ATOM 0 H GLN B 4 10.894 -2.055 0.262 1.00 0.00 H new ATOM 0 HA GLN B 4 10.091 -1.883 -2.410 1.00 0.00 H new ATOM 0 HB2 GLN B 4 13.001 -1.945 -2.152 1.00 0.00 H new ATOM 0 HB3 GLN B 4 12.440 -3.403 -2.946 1.00 0.00 H new ATOM 0 HG2 GLN B 4 11.527 -2.238 -4.767 1.00 0.00 H new ATOM 0 HG3 GLN B 4 11.186 -0.803 -3.821 1.00 0.00 H new ATOM 0 HE21 GLN B 4 13.498 0.085 -2.755 1.00 0.00 H new ATOM 0 HE22 GLN B 4 14.759 0.282 -3.977 1.00 0.00 H new ATOM 383 N HIS B 5 9.439 -3.947 -0.752 1.00 0.00 N ATOM 384 CA HIS B 5 9.006 -5.321 -0.356 1.00 0.00 C ATOM 385 C HIS B 5 8.896 -6.208 -1.600 1.00 0.00 C ATOM 386 O HIS B 5 9.274 -5.819 -2.688 1.00 0.00 O ATOM 387 CB HIS B 5 7.646 -5.258 0.347 1.00 0.00 C ATOM 388 CG HIS B 5 6.838 -4.122 -0.214 1.00 0.00 C ATOM 389 ND1 HIS B 5 5.892 -3.303 0.349 1.00 0.00 N flip ATOM 390 CD2 HIS B 5 6.970 -3.702 -1.527 1.00 0.00 C flip ATOM 391 CE1 HIS B 5 5.443 -2.387 -0.597 1.00 0.00 C flip ATOM 392 NE2 HIS B 5 6.126 -2.671 -1.709 1.00 0.00 N flip ATOM 0 H HIS B 5 8.848 -3.190 -0.409 1.00 0.00 H new ATOM 0 HA HIS B 5 9.745 -5.742 0.326 1.00 0.00 H new ATOM 0 HB2 HIS B 5 7.112 -6.198 0.212 1.00 0.00 H new ATOM 0 HB3 HIS B 5 7.786 -5.123 1.419 1.00 0.00 H new ATOM 0 HD1 HIS B 5 5.567 -3.357 1.314 1.00 0.00 H new ATOM 0 HD2 HIS B 5 7.630 -4.125 -2.269 1.00 0.00 H new ATOM 0 HE1 HIS B 5 4.702 -1.613 -0.461 1.00 0.00 H new ATOM 400 N LEU B 6 8.387 -7.401 -1.445 1.00 0.00 N ATOM 401 CA LEU B 6 8.259 -8.318 -2.614 1.00 0.00 C ATOM 402 C LEU B 6 6.789 -8.429 -3.031 1.00 0.00 C ATOM 403 O LEU B 6 6.448 -9.160 -3.940 1.00 0.00 O ATOM 404 CB LEU B 6 8.779 -9.704 -2.227 1.00 0.00 C ATOM 405 CG LEU B 6 8.232 -10.084 -0.850 1.00 0.00 C ATOM 406 CD1 LEU B 6 7.824 -11.559 -0.851 1.00 0.00 C ATOM 407 CD2 LEU B 6 9.312 -9.855 0.209 1.00 0.00 C ATOM 0 H LEU B 6 8.054 -7.780 -0.559 1.00 0.00 H new ATOM 0 HA LEU B 6 8.840 -7.922 -3.447 1.00 0.00 H new ATOM 0 HB2 LEU B 6 8.471 -10.441 -2.969 1.00 0.00 H new ATOM 0 HB3 LEU B 6 9.869 -9.704 -2.211 1.00 0.00 H new ATOM 0 HG LEU B 6 7.363 -9.467 -0.622 1.00 0.00 H new ATOM 0 HD11 LEU B 6 7.434 -11.829 0.130 1.00 0.00 H new ATOM 0 HD12 LEU B 6 7.054 -11.723 -1.605 1.00 0.00 H new ATOM 0 HD13 LEU B 6 8.693 -12.177 -1.079 1.00 0.00 H new ATOM 0 HD21 LEU B 6 8.922 -10.126 1.190 1.00 0.00 H new ATOM 0 HD22 LEU B 6 10.182 -10.471 -0.019 1.00 0.00 H new ATOM 0 HD23 LEU B 6 9.603 -8.804 0.211 1.00 0.00 H new ATOM 419 N CYS B 7 5.918 -7.710 -2.377 1.00 0.00 N ATOM 420 CA CYS B 7 4.474 -7.770 -2.735 1.00 0.00 C ATOM 421 C CYS B 7 3.850 -9.057 -2.186 1.00 0.00 C ATOM 422 O CYS B 7 2.658 -9.269 -2.286 1.00 0.00 O ATOM 423 CB CYS B 7 4.333 -7.740 -4.253 1.00 0.00 C ATOM 424 SG CYS B 7 2.658 -7.211 -4.697 1.00 0.00 S ATOM 0 H CYS B 7 6.146 -7.081 -1.607 1.00 0.00 H new ATOM 0 HA CYS B 7 3.958 -6.914 -2.300 1.00 0.00 H new ATOM 0 HB2 CYS B 7 5.067 -7.058 -4.683 1.00 0.00 H new ATOM 0 HB3 CYS B 7 4.535 -8.728 -4.667 1.00 0.00 H new ATOM 429 N GLY B 8 4.640 -9.916 -1.600 1.00 0.00 N ATOM 430 CA GLY B 8 4.079 -11.179 -1.043 1.00 0.00 C ATOM 431 C GLY B 8 3.401 -10.876 0.291 1.00 0.00 C ATOM 432 O GLY B 8 3.855 -11.293 1.338 1.00 0.00 O ATOM 0 H GLY B 8 5.646 -9.798 -1.483 1.00 0.00 H new ATOM 0 HA2 GLY B 8 3.362 -11.612 -1.740 1.00 0.00 H new ATOM 0 HA3 GLY B 8 4.872 -11.914 -0.904 1.00 0.00 H new ATOM 436 N SER B 9 2.324 -10.136 0.251 1.00 0.00 N ATOM 437 CA SER B 9 1.594 -9.771 1.503 1.00 0.00 C ATOM 438 C SER B 9 2.235 -8.526 2.127 1.00 0.00 C ATOM 439 O SER B 9 1.595 -7.784 2.845 1.00 0.00 O ATOM 440 CB SER B 9 1.645 -10.930 2.501 1.00 0.00 C ATOM 441 OG SER B 9 0.600 -10.776 3.453 1.00 0.00 O ATOM 0 H SER B 9 1.914 -9.764 -0.606 1.00 0.00 H new ATOM 0 HA SER B 9 0.553 -9.561 1.258 1.00 0.00 H new ATOM 0 HB2 SER B 9 1.539 -11.880 1.978 1.00 0.00 H new ATOM 0 HB3 SER B 9 2.612 -10.949 3.005 1.00 0.00 H new ATOM 0 HG SER B 9 0.629 -11.518 4.093 1.00 0.00 H new ATOM 447 N HIS B 10 3.492 -8.288 1.859 1.00 0.00 N ATOM 448 CA HIS B 10 4.163 -7.093 2.434 1.00 0.00 C ATOM 449 C HIS B 10 3.615 -5.829 1.769 1.00 0.00 C ATOM 450 O HIS B 10 3.303 -4.856 2.426 1.00 0.00 O ATOM 451 CB HIS B 10 5.670 -7.184 2.183 1.00 0.00 C ATOM 452 CG HIS B 10 6.239 -8.351 2.942 1.00 0.00 C ATOM 453 ND1 HIS B 10 5.747 -9.606 3.201 1.00 0.00 N flip ATOM 454 CD2 HIS B 10 7.485 -8.301 3.547 1.00 0.00 C flip ATOM 455 CE1 HIS B 10 6.670 -10.325 3.955 1.00 0.00 C flip ATOM 456 NE2 HIS B 10 7.699 -9.492 4.134 1.00 0.00 N flip ATOM 0 H HIS B 10 4.081 -8.872 1.266 1.00 0.00 H new ATOM 0 HA HIS B 10 3.973 -7.052 3.506 1.00 0.00 H new ATOM 0 HB2 HIS B 10 5.865 -7.301 1.117 1.00 0.00 H new ATOM 0 HB3 HIS B 10 6.157 -6.261 2.497 1.00 0.00 H new ATOM 0 HD2 HIS B 10 8.161 -7.459 3.547 1.00 0.00 H new ATOM 0 HE1 HIS B 10 6.575 -11.338 4.317 1.00 0.00 H new ATOM 0 HE2 HIS B 10 8.544 -9.730 4.653 1.00 0.00 H new ATOM 464 N LEU B 11 3.504 -5.833 0.467 1.00 0.00 N ATOM 465 CA LEU B 11 2.986 -4.627 -0.238 1.00 0.00 C ATOM 466 C LEU B 11 1.595 -4.278 0.289 1.00 0.00 C ATOM 467 O LEU B 11 1.308 -3.136 0.589 1.00 0.00 O ATOM 468 CB LEU B 11 2.900 -4.904 -1.739 1.00 0.00 C ATOM 469 CG LEU B 11 2.147 -3.761 -2.419 1.00 0.00 C ATOM 470 CD1 LEU B 11 2.804 -2.428 -2.053 1.00 0.00 C ATOM 471 CD2 LEU B 11 2.194 -3.950 -3.935 1.00 0.00 C ATOM 0 H LEU B 11 3.749 -6.618 -0.137 1.00 0.00 H new ATOM 0 HA LEU B 11 3.664 -3.792 -0.059 1.00 0.00 H new ATOM 0 HB2 LEU B 11 3.900 -4.998 -2.161 1.00 0.00 H new ATOM 0 HB3 LEU B 11 2.388 -5.850 -1.918 1.00 0.00 H new ATOM 0 HG LEU B 11 1.110 -3.760 -2.084 1.00 0.00 H new ATOM 0 HD11 LEU B 11 2.267 -1.613 -2.538 1.00 0.00 H new ATOM 0 HD12 LEU B 11 2.772 -2.291 -0.972 1.00 0.00 H new ATOM 0 HD13 LEU B 11 3.841 -2.429 -2.388 1.00 0.00 H new ATOM 0 HD21 LEU B 11 1.657 -3.135 -4.420 1.00 0.00 H new ATOM 0 HD22 LEU B 11 3.231 -3.951 -4.270 1.00 0.00 H new ATOM 0 HD23 LEU B 11 1.727 -4.899 -4.198 1.00 0.00 H new ATOM 483 N VAL B 12 0.727 -5.244 0.411 1.00 0.00 N ATOM 484 CA VAL B 12 -0.635 -4.939 0.924 1.00 0.00 C ATOM 485 C VAL B 12 -0.514 -4.431 2.354 1.00 0.00 C ATOM 486 O VAL B 12 -1.045 -3.395 2.703 1.00 0.00 O ATOM 487 CB VAL B 12 -1.507 -6.196 0.886 1.00 0.00 C ATOM 488 CG1 VAL B 12 -1.718 -6.626 -0.567 1.00 0.00 C ATOM 489 CG2 VAL B 12 -0.814 -7.324 1.655 1.00 0.00 C ATOM 0 H VAL B 12 0.901 -6.222 0.180 1.00 0.00 H new ATOM 0 HA VAL B 12 -1.102 -4.178 0.299 1.00 0.00 H new ATOM 0 HB VAL B 12 -2.471 -5.982 1.347 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -2.339 -7.521 -0.595 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -2.212 -5.824 -1.116 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -0.753 -6.839 -1.027 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -1.436 -8.219 1.627 1.00 0.00 H new ATOM 0 HG22 VAL B 12 0.151 -7.538 1.195 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -0.663 -7.019 2.691 1.00 0.00 H new ATOM 499 N GLU B 13 0.206 -5.132 3.178 1.00 0.00 N ATOM 500 CA GLU B 13 0.385 -4.661 4.571 1.00 0.00 C ATOM 501 C GLU B 13 1.036 -3.282 4.512 1.00 0.00 C ATOM 502 O GLU B 13 0.838 -2.447 5.372 1.00 0.00 O ATOM 503 CB GLU B 13 1.293 -5.629 5.335 1.00 0.00 C ATOM 504 CG GLU B 13 1.333 -5.234 6.812 1.00 0.00 C ATOM 505 CD GLU B 13 2.221 -6.215 7.579 1.00 0.00 C ATOM 506 OE1 GLU B 13 2.305 -7.358 7.162 1.00 0.00 O ATOM 507 OE2 GLU B 13 2.804 -5.806 8.570 1.00 0.00 O ATOM 0 H GLU B 13 0.676 -6.007 2.947 1.00 0.00 H new ATOM 0 HA GLU B 13 -0.575 -4.611 5.084 1.00 0.00 H new ATOM 0 HB2 GLU B 13 0.924 -6.649 5.230 1.00 0.00 H new ATOM 0 HB3 GLU B 13 2.299 -5.609 4.915 1.00 0.00 H new ATOM 0 HG2 GLU B 13 1.718 -4.220 6.918 1.00 0.00 H new ATOM 0 HG3 GLU B 13 0.325 -5.238 7.228 1.00 0.00 H new ATOM 514 N ALA B 14 1.814 -3.041 3.488 1.00 0.00 N ATOM 515 CA ALA B 14 2.484 -1.721 3.352 1.00 0.00 C ATOM 516 C ALA B 14 1.440 -0.652 3.041 1.00 0.00 C ATOM 517 O ALA B 14 1.405 0.393 3.657 1.00 0.00 O ATOM 518 CB ALA B 14 3.508 -1.783 2.218 1.00 0.00 C ATOM 0 H ALA B 14 2.012 -3.706 2.740 1.00 0.00 H new ATOM 0 HA ALA B 14 2.992 -1.472 4.284 1.00 0.00 H new ATOM 0 HB1 ALA B 14 3.999 -0.815 2.118 1.00 0.00 H new ATOM 0 HB2 ALA B 14 4.253 -2.547 2.442 1.00 0.00 H new ATOM 0 HB3 ALA B 14 3.003 -2.031 1.285 1.00 0.00 H new ATOM 524 N LEU B 15 0.580 -0.914 2.099 1.00 0.00 N ATOM 525 CA LEU B 15 -0.473 0.081 1.755 1.00 0.00 C ATOM 526 C LEU B 15 -1.430 0.192 2.932 1.00 0.00 C ATOM 527 O LEU B 15 -1.911 1.259 3.260 1.00 0.00 O ATOM 528 CB LEU B 15 -1.232 -0.378 0.507 1.00 0.00 C ATOM 529 CG LEU B 15 -2.183 0.728 0.043 1.00 0.00 C ATOM 530 CD1 LEU B 15 -3.371 0.822 1.003 1.00 0.00 C ATOM 531 CD2 LEU B 15 -1.439 2.065 0.019 1.00 0.00 C ATOM 0 H LEU B 15 0.560 -1.774 1.552 1.00 0.00 H new ATOM 0 HA LEU B 15 -0.020 1.051 1.549 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -0.528 -0.623 -0.289 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -1.794 -1.286 0.725 1.00 0.00 H new ATOM 0 HG LEU B 15 -2.545 0.495 -0.958 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -4.046 1.610 0.670 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -3.903 -0.129 1.018 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -3.011 1.052 2.006 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -2.116 2.852 -0.311 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -1.074 2.296 1.020 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -0.596 2.000 -0.668 1.00 0.00 H new ATOM 543 N TYR B 16 -1.694 -0.898 3.586 1.00 0.00 N ATOM 544 CA TYR B 16 -2.597 -0.843 4.757 1.00 0.00 C ATOM 545 C TYR B 16 -1.889 -0.058 5.860 1.00 0.00 C ATOM 546 O TYR B 16 -2.447 0.835 6.467 1.00 0.00 O ATOM 547 CB TYR B 16 -2.900 -2.262 5.241 1.00 0.00 C ATOM 548 CG TYR B 16 -4.153 -2.766 4.564 1.00 0.00 C ATOM 549 CD1 TYR B 16 -4.236 -2.780 3.167 1.00 0.00 C ATOM 550 CD2 TYR B 16 -5.233 -3.217 5.334 1.00 0.00 C ATOM 551 CE1 TYR B 16 -5.398 -3.245 2.539 1.00 0.00 C ATOM 552 CE2 TYR B 16 -6.394 -3.681 4.706 1.00 0.00 C ATOM 553 CZ TYR B 16 -6.477 -3.695 3.308 1.00 0.00 C ATOM 554 OH TYR B 16 -7.622 -4.153 2.689 1.00 0.00 O ATOM 0 H TYR B 16 -1.324 -1.821 3.360 1.00 0.00 H new ATOM 0 HA TYR B 16 -3.537 -0.359 4.492 1.00 0.00 H new ATOM 0 HB2 TYR B 16 -2.062 -2.921 5.016 1.00 0.00 H new ATOM 0 HB3 TYR B 16 -3.030 -2.269 6.323 1.00 0.00 H new ATOM 0 HD1 TYR B 16 -3.404 -2.432 2.573 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -5.169 -3.207 6.412 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -5.461 -3.256 1.461 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -7.227 -4.029 5.300 1.00 0.00 H new ATOM 0 HH TYR B 16 -8.273 -4.428 3.368 1.00 0.00 H new ATOM 564 N LEU B 17 -0.656 -0.395 6.119 1.00 0.00 N ATOM 565 CA LEU B 17 0.118 0.311 7.178 1.00 0.00 C ATOM 566 C LEU B 17 0.449 1.747 6.757 1.00 0.00 C ATOM 567 O LEU B 17 0.337 2.667 7.543 1.00 0.00 O ATOM 568 CB LEU B 17 1.413 -0.453 7.459 1.00 0.00 C ATOM 569 CG LEU B 17 2.003 0.016 8.791 1.00 0.00 C ATOM 570 CD1 LEU B 17 1.395 -0.800 9.934 1.00 0.00 C ATOM 571 CD2 LEU B 17 3.519 -0.185 8.774 1.00 0.00 C ATOM 0 H LEU B 17 -0.147 -1.136 5.638 1.00 0.00 H new ATOM 0 HA LEU B 17 -0.493 0.352 8.080 1.00 0.00 H new ATOM 0 HB2 LEU B 17 1.216 -1.524 7.494 1.00 0.00 H new ATOM 0 HB3 LEU B 17 2.128 -0.287 6.653 1.00 0.00 H new ATOM 0 HG LEU B 17 1.776 1.072 8.937 1.00 0.00 H new ATOM 0 HD11 LEU B 17 1.815 -0.466 10.883 1.00 0.00 H new ATOM 0 HD12 LEU B 17 0.314 -0.660 9.946 1.00 0.00 H new ATOM 0 HD13 LEU B 17 1.622 -1.856 9.788 1.00 0.00 H new ATOM 0 HD21 LEU B 17 3.941 0.149 9.722 1.00 0.00 H new ATOM 0 HD22 LEU B 17 3.744 -1.241 8.628 1.00 0.00 H new ATOM 0 HD23 LEU B 17 3.954 0.394 7.960 1.00 0.00 H new ATOM 583 N VAL B 18 0.866 1.957 5.536 1.00 0.00 N ATOM 584 CA VAL B 18 1.206 3.348 5.112 1.00 0.00 C ATOM 585 C VAL B 18 -0.010 4.235 5.346 1.00 0.00 C ATOM 586 O VAL B 18 0.083 5.302 5.919 1.00 0.00 O ATOM 587 CB VAL B 18 1.576 3.383 3.624 1.00 0.00 C ATOM 588 CG1 VAL B 18 2.802 2.508 3.362 1.00 0.00 C ATOM 589 CG2 VAL B 18 0.401 2.878 2.802 1.00 0.00 C ATOM 0 H VAL B 18 0.985 1.237 4.823 1.00 0.00 H new ATOM 0 HA VAL B 18 2.059 3.703 5.691 1.00 0.00 H new ATOM 0 HB VAL B 18 1.811 4.408 3.339 1.00 0.00 H new ATOM 0 HG11 VAL B 18 3.054 2.542 2.302 1.00 0.00 H new ATOM 0 HG12 VAL B 18 3.644 2.877 3.947 1.00 0.00 H new ATOM 0 HG13 VAL B 18 2.583 1.480 3.650 1.00 0.00 H new ATOM 0 HG21 VAL B 18 0.661 2.902 1.744 1.00 0.00 H new ATOM 0 HG22 VAL B 18 0.165 1.855 3.095 1.00 0.00 H new ATOM 0 HG23 VAL B 18 -0.466 3.515 2.977 1.00 0.00 H new ATOM 599 N CYS B 19 -1.154 3.793 4.917 1.00 0.00 N ATOM 600 CA CYS B 19 -2.386 4.598 5.124 1.00 0.00 C ATOM 601 C CYS B 19 -3.581 3.805 4.612 1.00 0.00 C ATOM 602 O CYS B 19 -4.546 4.355 4.121 1.00 0.00 O ATOM 603 CB CYS B 19 -2.279 5.915 4.361 1.00 0.00 C ATOM 604 SG CYS B 19 -2.410 7.293 5.525 1.00 0.00 S ATOM 0 H CYS B 19 -1.291 2.907 4.431 1.00 0.00 H new ATOM 0 HA CYS B 19 -2.510 4.815 6.185 1.00 0.00 H new ATOM 0 HB2 CYS B 19 -1.330 5.963 3.828 1.00 0.00 H new ATOM 0 HB3 CYS B 19 -3.069 5.980 3.612 1.00 0.00 H new ATOM 609 N GLY B 20 -3.520 2.510 4.724 1.00 0.00 N ATOM 610 CA GLY B 20 -4.650 1.672 4.245 1.00 0.00 C ATOM 611 C GLY B 20 -5.222 0.879 5.420 1.00 0.00 C ATOM 612 O GLY B 20 -5.839 -0.152 5.247 1.00 0.00 O ATOM 0 H GLY B 20 -2.737 1.996 5.127 1.00 0.00 H new ATOM 0 HA2 GLY B 20 -5.424 2.301 3.805 1.00 0.00 H new ATOM 0 HA3 GLY B 20 -4.309 0.992 3.464 1.00 0.00 H new ATOM 616 N GLU B 21 -5.016 1.356 6.616 1.00 0.00 N ATOM 617 CA GLU B 21 -5.547 0.642 7.808 1.00 0.00 C ATOM 618 C GLU B 21 -6.564 1.545 8.503 1.00 0.00 C ATOM 619 O GLU B 21 -7.482 1.085 9.152 1.00 0.00 O ATOM 620 CB GLU B 21 -4.401 0.323 8.770 1.00 0.00 C ATOM 621 CG GLU B 21 -4.951 -0.412 9.995 1.00 0.00 C ATOM 622 CD GLU B 21 -3.808 -0.718 10.964 1.00 0.00 C ATOM 623 OE1 GLU B 21 -2.739 -1.075 10.495 1.00 0.00 O ATOM 624 OE2 GLU B 21 -4.020 -0.590 12.158 1.00 0.00 O ATOM 0 H GLU B 21 -4.501 2.213 6.819 1.00 0.00 H new ATOM 0 HA GLU B 21 -6.023 -0.290 7.503 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -3.653 -0.292 8.270 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -3.904 1.243 9.078 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -5.707 0.198 10.489 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -5.439 -1.337 9.688 1.00 0.00 H new ATOM 631 N ARG B 22 -6.405 2.833 8.363 1.00 0.00 N ATOM 632 CA ARG B 22 -7.356 3.776 9.000 1.00 0.00 C ATOM 633 C ARG B 22 -8.553 3.981 8.075 1.00 0.00 C ATOM 634 O ARG B 22 -9.692 3.838 8.474 1.00 0.00 O ATOM 635 CB ARG B 22 -6.660 5.116 9.249 1.00 0.00 C ATOM 636 CG ARG B 22 -5.983 5.092 10.620 1.00 0.00 C ATOM 637 CD ARG B 22 -6.711 6.048 11.566 1.00 0.00 C ATOM 638 NE ARG B 22 -5.793 7.153 11.959 1.00 0.00 N ATOM 639 CZ ARG B 22 -6.130 7.972 12.918 1.00 0.00 C ATOM 640 NH1 ARG B 22 -7.381 8.306 13.080 1.00 0.00 N ATOM 641 NH2 ARG B 22 -5.217 8.457 13.714 1.00 0.00 N ATOM 0 H ARG B 22 -5.652 3.271 7.831 1.00 0.00 H new ATOM 0 HA ARG B 22 -7.696 3.368 9.952 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -5.921 5.304 8.470 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -7.385 5.929 9.204 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -5.997 4.081 11.026 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -4.937 5.383 10.526 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -7.598 6.454 11.079 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -7.051 5.511 12.452 1.00 0.00 H new ATOM 0 HE ARG B 22 -4.901 7.270 11.479 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -8.095 7.927 12.458 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -7.645 8.946 13.829 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -4.239 8.196 13.587 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -5.481 9.097 14.463 1.00 0.00 H new ATOM 655 N GLY B 23 -8.303 4.308 6.839 1.00 0.00 N ATOM 656 CA GLY B 23 -9.427 4.514 5.881 1.00 0.00 C ATOM 657 C GLY B 23 -9.549 3.287 4.976 1.00 0.00 C ATOM 658 O GLY B 23 -9.535 3.394 3.766 1.00 0.00 O ATOM 0 H GLY B 23 -7.370 4.442 6.449 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -10.358 4.674 6.424 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -9.250 5.407 5.281 1.00 0.00 H new ATOM 662 N PHE B 24 -9.661 2.121 5.553 1.00 0.00 N ATOM 663 CA PHE B 24 -9.772 0.886 4.725 1.00 0.00 C ATOM 664 C PHE B 24 -10.748 -0.094 5.383 1.00 0.00 C ATOM 665 O PHE B 24 -10.794 -1.259 5.040 1.00 0.00 O ATOM 666 CB PHE B 24 -8.395 0.230 4.620 1.00 0.00 C ATOM 667 CG PHE B 24 -7.811 0.483 3.250 1.00 0.00 C ATOM 668 CD1 PHE B 24 -7.464 1.783 2.865 1.00 0.00 C ATOM 669 CD2 PHE B 24 -7.619 -0.583 2.364 1.00 0.00 C ATOM 670 CE1 PHE B 24 -6.924 2.018 1.595 1.00 0.00 C ATOM 671 CE2 PHE B 24 -7.079 -0.349 1.094 1.00 0.00 C ATOM 672 CZ PHE B 24 -6.732 0.951 0.709 1.00 0.00 C ATOM 0 H PHE B 24 -9.680 1.970 6.562 1.00 0.00 H new ATOM 0 HA PHE B 24 -10.138 1.147 3.732 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -7.732 0.630 5.387 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -8.478 -0.842 4.798 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -7.613 2.606 3.548 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -7.887 -1.586 2.660 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -6.656 3.021 1.299 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -6.930 -1.172 0.411 1.00 0.00 H new ATOM 0 HZ PHE B 24 -6.316 1.131 -0.271 1.00 0.00 H new ATOM 682 N PHE B 25 -11.528 0.363 6.325 1.00 0.00 N ATOM 683 CA PHE B 25 -12.493 -0.554 6.998 1.00 0.00 C ATOM 684 C PHE B 25 -13.823 -0.548 6.239 1.00 0.00 C ATOM 685 O PHE B 25 -14.583 0.398 6.301 1.00 0.00 O ATOM 686 CB PHE B 25 -12.717 -0.104 8.448 1.00 0.00 C ATOM 687 CG PHE B 25 -13.295 1.293 8.480 1.00 0.00 C ATOM 688 CD1 PHE B 25 -12.449 2.404 8.381 1.00 0.00 C ATOM 689 CD2 PHE B 25 -14.677 1.476 8.617 1.00 0.00 C ATOM 690 CE1 PHE B 25 -12.984 3.697 8.417 1.00 0.00 C ATOM 691 CE2 PHE B 25 -15.212 2.770 8.653 1.00 0.00 C ATOM 692 CZ PHE B 25 -14.365 3.880 8.552 1.00 0.00 C ATOM 0 H PHE B 25 -11.539 1.327 6.657 1.00 0.00 H new ATOM 0 HA PHE B 25 -12.086 -1.565 7.000 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -13.393 -0.796 8.951 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -11.773 -0.127 8.993 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -11.383 2.263 8.277 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -15.330 0.619 8.695 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -12.331 4.554 8.341 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -16.277 2.911 8.759 1.00 0.00 H new ATOM 0 HZ PHE B 25 -14.777 4.878 8.578 1.00 0.00 H new ATOM 702 N TYR B 26 -14.108 -1.599 5.519 1.00 0.00 N ATOM 703 CA TYR B 26 -15.386 -1.657 4.756 1.00 0.00 C ATOM 704 C TYR B 26 -16.031 -3.038 4.944 1.00 0.00 C ATOM 705 O TYR B 26 -15.429 -4.043 4.621 1.00 0.00 O ATOM 706 CB TYR B 26 -15.099 -1.432 3.270 1.00 0.00 C ATOM 707 CG TYR B 26 -14.697 0.006 3.048 1.00 0.00 C ATOM 708 CD1 TYR B 26 -15.531 1.042 3.487 1.00 0.00 C ATOM 709 CD2 TYR B 26 -13.491 0.305 2.404 1.00 0.00 C ATOM 710 CE1 TYR B 26 -15.159 2.375 3.282 1.00 0.00 C ATOM 711 CE2 TYR B 26 -13.118 1.639 2.199 1.00 0.00 C ATOM 712 CZ TYR B 26 -13.952 2.674 2.638 1.00 0.00 C ATOM 713 OH TYR B 26 -13.585 3.989 2.436 1.00 0.00 O ATOM 0 H TYR B 26 -13.510 -2.420 5.427 1.00 0.00 H new ATOM 0 HA TYR B 26 -16.063 -0.885 5.120 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -14.304 -2.099 2.937 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -15.983 -1.669 2.678 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -16.462 0.812 3.984 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -12.848 -0.494 2.065 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -15.803 3.173 3.620 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -12.187 1.869 1.702 1.00 0.00 H new ATOM 0 HH TYR B 26 -13.357 4.401 3.296 1.00 0.00 H new ATOM 723 N PRO B 27 -17.236 -3.052 5.460 1.00 0.00 N ATOM 724 CA PRO B 27 -17.980 -4.303 5.698 1.00 0.00 C ATOM 725 C PRO B 27 -18.576 -4.827 4.387 1.00 0.00 C ATOM 726 O PRO B 27 -19.164 -4.088 3.623 1.00 0.00 O ATOM 727 CB PRO B 27 -19.085 -3.885 6.670 1.00 0.00 C ATOM 728 CG PRO B 27 -19.268 -2.359 6.493 1.00 0.00 C ATOM 729 CD PRO B 27 -17.970 -1.831 5.853 1.00 0.00 C ATOM 0 HA PRO B 27 -17.355 -5.105 6.091 1.00 0.00 H new ATOM 0 HB2 PRO B 27 -20.013 -4.415 6.454 1.00 0.00 H new ATOM 0 HB3 PRO B 27 -18.811 -4.127 7.697 1.00 0.00 H new ATOM 0 HG2 PRO B 27 -20.128 -2.143 5.859 1.00 0.00 H new ATOM 0 HG3 PRO B 27 -19.450 -1.877 7.453 1.00 0.00 H new ATOM 0 HD2 PRO B 27 -18.180 -1.198 4.991 1.00 0.00 H new ATOM 0 HD3 PRO B 27 -17.395 -1.230 6.557 1.00 0.00 H new ATOM 737 N THR B 28 -18.429 -6.097 4.123 1.00 0.00 N ATOM 738 CA THR B 28 -18.988 -6.665 2.864 1.00 0.00 C ATOM 739 C THR B 28 -18.111 -6.247 1.681 1.00 0.00 C ATOM 740 O THR B 28 -18.182 -5.130 1.208 1.00 0.00 O ATOM 741 CB THR B 28 -20.411 -6.142 2.653 1.00 0.00 C ATOM 742 OG1 THR B 28 -21.088 -6.102 3.902 1.00 0.00 O ATOM 743 CG2 THR B 28 -21.160 -7.068 1.693 1.00 0.00 C ATOM 0 H THR B 28 -17.946 -6.765 4.724 1.00 0.00 H new ATOM 0 HA THR B 28 -19.008 -7.752 2.936 1.00 0.00 H new ATOM 0 HB THR B 28 -20.371 -5.139 2.228 1.00 0.00 H new ATOM 0 HG1 THR B 28 -21.999 -5.766 3.770 1.00 0.00 H new ATOM 0 HG21 THR B 28 -22.173 -6.695 1.544 1.00 0.00 H new ATOM 0 HG22 THR B 28 -20.639 -7.098 0.736 1.00 0.00 H new ATOM 0 HG23 THR B 28 -21.202 -8.072 2.115 1.00 0.00 H new ATOM 751 N LYS B 29 -17.287 -7.136 1.199 1.00 0.00 N ATOM 752 CA LYS B 29 -16.409 -6.790 0.047 1.00 0.00 C ATOM 753 C LYS B 29 -17.155 -7.061 -1.260 1.00 0.00 C ATOM 754 O LYS B 29 -17.646 -8.148 -1.493 1.00 0.00 O ATOM 755 CB LYS B 29 -15.138 -7.644 0.097 1.00 0.00 C ATOM 756 CG LYS B 29 -14.387 -7.527 -1.231 1.00 0.00 C ATOM 757 CD LYS B 29 -12.976 -6.991 -0.976 1.00 0.00 C ATOM 758 CE LYS B 29 -11.980 -8.151 -0.977 1.00 0.00 C ATOM 759 NZ LYS B 29 -10.613 -7.633 -1.271 1.00 0.00 N ATOM 0 H LYS B 29 -17.184 -8.087 1.553 1.00 0.00 H new ATOM 0 HA LYS B 29 -16.139 -5.735 0.100 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -14.500 -7.316 0.917 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -15.395 -8.685 0.290 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -14.335 -8.501 -1.718 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -14.924 -6.861 -1.907 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -12.707 -6.266 -1.744 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -12.941 -6.469 -0.020 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -11.990 -8.653 -0.010 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -12.268 -8.891 -1.723 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -9.935 -8.422 -1.272 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -10.609 -7.173 -2.204 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -10.339 -6.942 -0.543 1.00 0.00 H new ATOM 773 N THR B 30 -17.243 -6.082 -2.117 1.00 0.00 N ATOM 774 CA THR B 30 -17.956 -6.283 -3.409 1.00 0.00 C ATOM 775 C THR B 30 -19.267 -7.031 -3.158 1.00 0.00 C ATOM 776 O THR B 30 -19.611 -7.873 -3.971 1.00 0.00 O ATOM 777 CB THR B 30 -17.073 -7.103 -4.354 1.00 0.00 C ATOM 778 OG1 THR B 30 -15.822 -7.356 -3.728 1.00 0.00 O ATOM 779 CG2 THR B 30 -16.848 -6.324 -5.650 1.00 0.00 C ATOM 780 OXT THR B 30 -19.904 -6.749 -2.157 1.00 0.00 O ATOM 0 H THR B 30 -16.851 -5.150 -1.978 1.00 0.00 H new ATOM 0 HA THR B 30 -18.172 -5.315 -3.860 1.00 0.00 H new ATOM 0 HB THR B 30 -17.564 -8.049 -4.583 1.00 0.00 H new ATOM 0 HG1 THR B 30 -15.255 -7.882 -4.330 1.00 0.00 H new ATOM 0 HG21 THR B 30 -16.219 -6.909 -6.322 1.00 0.00 H new ATOM 0 HG22 THR B 30 -17.808 -6.129 -6.129 1.00 0.00 H new ATOM 0 HG23 THR B 30 -16.356 -5.378 -5.425 1.00 0.00 H new TER 788 THR B 30