USER MOD reduce.3.24.130724 H: found=0, std=0, add=382, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 377 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 12 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 14 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 5 GLN : amide:sc= 0.759 X(o=1.4,f=1.2) USER MOD Set 2.2: A 15 GLN : amide:sc= 0.671 X(o=1.4,f=1.2) USER MOD Single : A 1 GLY N :NH3+ -109:sc= 0.0402 (180deg=0) USER MOD Single : A 8 THR OG1 : rot -154:sc= 0.166 USER MOD Single : A 9 SER OG : rot 180:sc= 0.281 USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= 0.626 K(o=0.63,f=-4.7!) USER MOD Single : B 1 PHE N :NH3+ -165:sc= 0.198 (180deg=0.0519) USER MOD Single : B 3 ASN : amide:sc= -0.135 K(o=-0.13,f=-0.7) USER MOD Single : B 4 GLN : amide:sc= 0.561 K(o=0.56,f=0) USER MOD Single : B 5 HIS : no HD1:sc= -0.285 K(o=-0.29,f=-2.5!) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 10 HIS : no HD1:sc= -0.0955 X(o=-0.095,f=0) USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 24 HIS : no HD1:sc= -1.13 X(o=-1.1,f=-1.3) USER MOD Single : B 26 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 THR OG1 : rot 41:sc= 0.186 USER MOD Single : B 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.300 4.506 0.040 1.00 0.00 N ATOM 2 CA GLY A 1 -10.442 3.320 0.267 1.00 0.00 C ATOM 3 C GLY A 1 -9.153 3.392 -0.540 1.00 0.00 C ATOM 4 O GLY A 1 -9.124 4.004 -1.606 1.00 0.00 O ATOM 0 H1 GLY A 1 -11.302 5.102 0.893 1.00 0.00 H new ATOM 0 H2 GLY A 1 -10.931 5.053 -0.764 1.00 0.00 H new ATOM 0 H3 GLY A 1 -12.271 4.197 -0.168 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.203 3.242 1.328 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.990 2.418 -0.003 1.00 0.00 H new ATOM 10 N ILE A 2 -8.083 2.745 -0.057 1.00 0.00 N ATOM 11 CA ILE A 2 -6.695 2.839 -0.581 1.00 0.00 C ATOM 12 C ILE A 2 -6.572 2.653 -2.103 1.00 0.00 C ATOM 13 O ILE A 2 -5.858 3.409 -2.759 1.00 0.00 O ATOM 14 CB ILE A 2 -5.787 1.859 0.211 1.00 0.00 C ATOM 15 CG1 ILE A 2 -4.295 2.080 -0.123 1.00 0.00 C ATOM 16 CG2 ILE A 2 -6.176 0.378 0.023 1.00 0.00 C ATOM 17 CD1 ILE A 2 -3.347 1.233 0.734 1.00 0.00 C ATOM 0 H ILE A 2 -8.154 2.114 0.741 1.00 0.00 H new ATOM 0 HA ILE A 2 -6.357 3.863 -0.421 1.00 0.00 H new ATOM 0 HB ILE A 2 -5.947 2.090 1.264 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -4.128 1.848 -1.175 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -4.052 3.134 0.013 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -5.502 -0.252 0.603 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -7.200 0.225 0.364 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -6.102 0.113 -1.032 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -2.316 1.438 0.447 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -3.487 1.482 1.786 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -3.563 0.176 0.580 1.00 0.00 H new ATOM 29 N VAL A 3 -7.314 1.705 -2.675 1.00 0.00 N ATOM 30 CA VAL A 3 -7.279 1.337 -4.108 1.00 0.00 C ATOM 31 C VAL A 3 -7.680 2.517 -5.017 1.00 0.00 C ATOM 32 O VAL A 3 -7.182 2.624 -6.138 1.00 0.00 O ATOM 33 CB VAL A 3 -8.185 0.102 -4.365 1.00 0.00 C ATOM 34 CG1 VAL A 3 -8.201 -0.373 -5.827 1.00 0.00 C ATOM 35 CG2 VAL A 3 -7.743 -1.093 -3.498 1.00 0.00 C ATOM 0 H VAL A 3 -7.982 1.147 -2.143 1.00 0.00 H new ATOM 0 HA VAL A 3 -6.251 1.078 -4.361 1.00 0.00 H new ATOM 0 HB VAL A 3 -9.188 0.439 -4.105 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -8.857 -1.238 -5.921 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -8.566 0.430 -6.467 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -7.191 -0.648 -6.131 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -8.392 -1.946 -3.696 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -6.714 -1.357 -3.740 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -7.810 -0.822 -2.444 1.00 0.00 H new ATOM 45 N GLU A 4 -8.518 3.439 -4.525 1.00 0.00 N ATOM 46 CA GLU A 4 -9.001 4.611 -5.270 1.00 0.00 C ATOM 47 C GLU A 4 -7.907 5.681 -5.492 1.00 0.00 C ATOM 48 O GLU A 4 -8.071 6.566 -6.334 1.00 0.00 O ATOM 49 CB GLU A 4 -10.210 5.197 -4.512 1.00 0.00 C ATOM 50 CG GLU A 4 -11.142 6.085 -5.349 1.00 0.00 C ATOM 51 CD GLU A 4 -11.865 5.298 -6.456 1.00 0.00 C ATOM 52 OE1 GLU A 4 -12.771 4.492 -6.135 1.00 0.00 O ATOM 53 OE2 GLU A 4 -11.554 5.494 -7.654 1.00 0.00 O1- ATOM 0 H GLU A 4 -8.888 3.390 -3.576 1.00 0.00 H new ATOM 0 HA GLU A 4 -9.296 4.290 -6.269 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -10.793 4.374 -4.100 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -9.841 5.780 -3.668 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -11.881 6.549 -4.695 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -10.563 6.891 -5.799 1.00 0.00 H new ATOM 60 N GLN A 5 -6.786 5.603 -4.762 1.00 0.00 N ATOM 61 CA GLN A 5 -5.627 6.493 -4.915 1.00 0.00 C ATOM 62 C GLN A 5 -4.362 5.714 -5.300 1.00 0.00 C ATOM 63 O GLN A 5 -3.637 6.121 -6.205 1.00 0.00 O ATOM 64 CB GLN A 5 -5.424 7.255 -3.590 1.00 0.00 C ATOM 65 CG GLN A 5 -4.238 8.238 -3.634 1.00 0.00 C ATOM 66 CD GLN A 5 -4.141 9.087 -2.364 1.00 0.00 C ATOM 67 OE1 GLN A 5 -3.323 8.858 -1.480 1.00 0.00 O ATOM 68 NE2 GLN A 5 -4.973 10.099 -2.212 1.00 0.00 N ATOM 0 H GLN A 5 -6.657 4.903 -4.032 1.00 0.00 H new ATOM 0 HA GLN A 5 -5.817 7.197 -5.725 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -6.335 7.804 -3.350 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -5.264 6.537 -2.786 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -3.311 7.680 -3.767 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -4.343 8.893 -4.499 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -5.661 10.307 -2.936 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -4.928 10.674 -1.371 1.00 0.00 H new ATOM 77 N CYS A 6 -4.073 4.605 -4.616 1.00 0.00 N ATOM 78 CA CYS A 6 -2.763 3.946 -4.652 1.00 0.00 C ATOM 79 C CYS A 6 -2.677 2.711 -5.556 1.00 0.00 C ATOM 80 O CYS A 6 -1.626 2.073 -5.605 1.00 0.00 O ATOM 81 CB CYS A 6 -2.365 3.610 -3.221 1.00 0.00 C ATOM 82 SG CYS A 6 -2.055 5.086 -2.218 1.00 0.00 S ATOM 0 H CYS A 6 -4.748 4.133 -4.015 1.00 0.00 H new ATOM 0 HA CYS A 6 -2.064 4.647 -5.107 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -3.155 3.020 -2.757 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -1.469 2.989 -3.233 1.00 0.00 H new ATOM 87 N CYS A 7 -3.753 2.376 -6.277 1.00 0.00 N ATOM 88 CA CYS A 7 -3.683 1.530 -7.480 1.00 0.00 C ATOM 89 C CYS A 7 -3.820 2.329 -8.793 1.00 0.00 C ATOM 90 O CYS A 7 -3.409 1.844 -9.851 1.00 0.00 O ATOM 91 CB CYS A 7 -4.755 0.435 -7.410 1.00 0.00 C ATOM 92 SG CYS A 7 -4.226 -1.099 -6.604 1.00 0.00 S ATOM 0 H CYS A 7 -4.698 2.682 -6.045 1.00 0.00 H new ATOM 0 HA CYS A 7 -2.690 1.080 -7.494 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -5.621 0.828 -6.878 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -5.082 0.202 -8.423 1.00 0.00 H new ATOM 97 N THR A 8 -4.401 3.537 -8.735 1.00 0.00 N ATOM 98 CA THR A 8 -4.648 4.446 -9.872 1.00 0.00 C ATOM 99 C THR A 8 -3.524 5.464 -10.061 1.00 0.00 C ATOM 100 O THR A 8 -3.225 5.854 -11.188 1.00 0.00 O ATOM 101 CB THR A 8 -5.977 5.184 -9.654 1.00 0.00 C ATOM 102 OG1 THR A 8 -5.975 5.745 -8.360 1.00 0.00 O ATOM 103 CG2 THR A 8 -7.173 4.236 -9.765 1.00 0.00 C ATOM 0 H THR A 8 -4.729 3.929 -7.852 1.00 0.00 H new ATOM 0 HA THR A 8 -4.691 3.837 -10.775 1.00 0.00 H new ATOM 0 HB THR A 8 -6.070 5.952 -10.422 1.00 0.00 H new ATOM 0 HG1 THR A 8 -6.898 5.841 -8.044 1.00 0.00 H new ATOM 0 HG21 THR A 8 -8.096 4.794 -9.605 1.00 0.00 H new ATOM 0 HG22 THR A 8 -7.189 3.785 -10.757 1.00 0.00 H new ATOM 0 HG23 THR A 8 -7.087 3.453 -9.012 1.00 0.00 H new ATOM 111 N SER A 9 -2.881 5.869 -8.972 1.00 0.00 N ATOM 112 CA SER A 9 -1.765 6.817 -8.902 1.00 0.00 C ATOM 113 C SER A 9 -0.773 6.387 -7.801 1.00 0.00 C ATOM 114 O SER A 9 -0.694 5.213 -7.422 1.00 0.00 O ATOM 115 CB SER A 9 -2.339 8.230 -8.678 1.00 0.00 C ATOM 116 OG SER A 9 -1.359 9.241 -8.893 1.00 0.00 O ATOM 0 H SER A 9 -3.140 5.522 -8.048 1.00 0.00 H new ATOM 0 HA SER A 9 -1.201 6.827 -9.835 1.00 0.00 H new ATOM 0 HB2 SER A 9 -3.181 8.391 -9.352 1.00 0.00 H new ATOM 0 HB3 SER A 9 -2.725 8.308 -7.662 1.00 0.00 H new ATOM 0 HG SER A 9 -1.760 10.123 -8.743 1.00 0.00 H new ATOM 122 N ILE A 10 0.036 7.324 -7.313 1.00 0.00 N ATOM 123 CA ILE A 10 1.196 7.058 -6.459 1.00 0.00 C ATOM 124 C ILE A 10 0.818 7.029 -4.976 1.00 0.00 C ATOM 125 O ILE A 10 0.286 8.003 -4.437 1.00 0.00 O ATOM 126 CB ILE A 10 2.309 8.081 -6.774 1.00 0.00 C ATOM 127 CG1 ILE A 10 2.639 7.932 -8.278 1.00 0.00 C ATOM 128 CG2 ILE A 10 3.523 7.885 -5.844 1.00 0.00 C ATOM 129 CD1 ILE A 10 3.954 8.541 -8.736 1.00 0.00 C ATOM 0 H ILE A 10 -0.099 8.317 -7.504 1.00 0.00 H new ATOM 0 HA ILE A 10 1.580 6.062 -6.679 1.00 0.00 H new ATOM 0 HB ILE A 10 1.986 9.104 -6.583 1.00 0.00 H new ATOM 0 HG12 ILE A 10 2.648 6.870 -8.524 1.00 0.00 H new ATOM 0 HG13 ILE A 10 1.832 8.385 -8.853 1.00 0.00 H new ATOM 0 HG21 ILE A 10 4.291 8.619 -6.089 1.00 0.00 H new ATOM 0 HG22 ILE A 10 3.212 8.017 -4.808 1.00 0.00 H new ATOM 0 HG23 ILE A 10 3.925 6.881 -5.977 1.00 0.00 H new ATOM 0 HD11 ILE A 10 4.078 8.375 -9.806 1.00 0.00 H new ATOM 0 HD12 ILE A 10 3.949 9.612 -8.533 1.00 0.00 H new ATOM 0 HD13 ILE A 10 4.779 8.073 -8.198 1.00 0.00 H new ATOM 141 N CYS A 11 1.179 5.936 -4.301 1.00 0.00 N ATOM 142 CA CYS A 11 1.310 5.899 -2.842 1.00 0.00 C ATOM 143 C CYS A 11 2.757 6.228 -2.446 1.00 0.00 C ATOM 144 O CYS A 11 3.704 5.686 -3.019 1.00 0.00 O ATOM 145 CB CYS A 11 0.901 4.521 -2.300 1.00 0.00 C ATOM 146 SG CYS A 11 -0.459 4.539 -1.098 1.00 0.00 S ATOM 0 H CYS A 11 1.390 5.046 -4.753 1.00 0.00 H new ATOM 0 HA CYS A 11 0.645 6.644 -2.406 1.00 0.00 H new ATOM 0 HB2 CYS A 11 0.615 3.888 -3.140 1.00 0.00 H new ATOM 0 HB3 CYS A 11 1.771 4.058 -1.834 1.00 0.00 H new ATOM 151 N SER A 12 2.929 7.088 -1.447 1.00 0.00 N ATOM 152 CA SER A 12 4.233 7.432 -0.859 1.00 0.00 C ATOM 153 C SER A 12 4.223 7.163 0.650 1.00 0.00 C ATOM 154 O SER A 12 3.149 7.053 1.245 1.00 0.00 O ATOM 155 CB SER A 12 4.559 8.911 -1.111 1.00 0.00 C ATOM 156 OG SER A 12 4.592 9.219 -2.498 1.00 0.00 O ATOM 0 H SER A 12 2.151 7.581 -1.008 1.00 0.00 H new ATOM 0 HA SER A 12 4.995 6.811 -1.330 1.00 0.00 H new ATOM 0 HB2 SER A 12 3.814 9.536 -0.618 1.00 0.00 H new ATOM 0 HB3 SER A 12 5.523 9.151 -0.663 1.00 0.00 H new ATOM 0 HG SER A 12 4.801 10.169 -2.617 1.00 0.00 H new ATOM 162 N LEU A 13 5.399 7.071 1.283 1.00 0.00 N ATOM 163 CA LEU A 13 5.573 6.635 2.679 1.00 0.00 C ATOM 164 C LEU A 13 4.617 7.283 3.692 1.00 0.00 C ATOM 165 O LEU A 13 4.026 6.593 4.519 1.00 0.00 O ATOM 166 CB LEU A 13 7.055 6.799 3.070 1.00 0.00 C ATOM 167 CG LEU A 13 7.631 8.238 3.036 1.00 0.00 C ATOM 168 CD1 LEU A 13 7.674 8.877 4.434 1.00 0.00 C ATOM 169 CD2 LEU A 13 9.055 8.231 2.461 1.00 0.00 C ATOM 0 H LEU A 13 6.282 7.304 0.828 1.00 0.00 H new ATOM 0 HA LEU A 13 5.291 5.583 2.723 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.186 6.404 4.077 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.653 6.178 2.403 1.00 0.00 H new ATOM 0 HG LEU A 13 6.967 8.826 2.403 1.00 0.00 H new ATOM 0 HD11 LEU A 13 8.085 9.884 4.361 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.665 8.925 4.843 1.00 0.00 H new ATOM 0 HD13 LEU A 13 8.303 8.275 5.090 1.00 0.00 H new ATOM 0 HD21 LEU A 13 9.445 9.249 2.444 1.00 0.00 H new ATOM 0 HD22 LEU A 13 9.696 7.607 3.084 1.00 0.00 H new ATOM 0 HD23 LEU A 13 9.036 7.833 1.447 1.00 0.00 H new ATOM 181 N TYR A 14 4.403 8.594 3.596 1.00 0.00 N ATOM 182 CA TYR A 14 3.546 9.353 4.514 1.00 0.00 C ATOM 183 C TYR A 14 2.039 9.093 4.313 1.00 0.00 C ATOM 184 O TYR A 14 1.252 9.274 5.242 1.00 0.00 O ATOM 185 CB TYR A 14 3.869 10.846 4.352 1.00 0.00 C ATOM 186 CG TYR A 14 3.912 11.333 2.916 1.00 0.00 C ATOM 187 CD1 TYR A 14 2.720 11.658 2.244 1.00 0.00 C ATOM 188 CD2 TYR A 14 5.141 11.391 2.230 1.00 0.00 C ATOM 189 CE1 TYR A 14 2.746 12.016 0.884 1.00 0.00 C ATOM 190 CE2 TYR A 14 5.179 11.762 0.875 1.00 0.00 C ATOM 191 CZ TYR A 14 3.981 12.085 0.197 1.00 0.00 C ATOM 192 OH TYR A 14 4.019 12.443 -1.117 1.00 0.00 O ATOM 0 H TYR A 14 4.825 9.170 2.868 1.00 0.00 H new ATOM 0 HA TYR A 14 3.761 9.016 5.528 1.00 0.00 H new ATOM 0 HB2 TYR A 14 3.124 11.426 4.896 1.00 0.00 H new ATOM 0 HB3 TYR A 14 4.833 11.048 4.819 1.00 0.00 H new ATOM 0 HD1 TYR A 14 1.780 11.633 2.775 1.00 0.00 H new ATOM 0 HD2 TYR A 14 6.058 11.149 2.747 1.00 0.00 H new ATOM 0 HE1 TYR A 14 1.825 12.238 0.365 1.00 0.00 H new ATOM 0 HE2 TYR A 14 6.123 11.800 0.352 1.00 0.00 H new ATOM 0 HH TYR A 14 4.948 12.440 -1.430 1.00 0.00 H new ATOM 202 N GLN A 15 1.640 8.648 3.118 1.00 0.00 N ATOM 203 CA GLN A 15 0.277 8.206 2.816 1.00 0.00 C ATOM 204 C GLN A 15 0.110 6.723 3.170 1.00 0.00 C ATOM 205 O GLN A 15 -0.871 6.363 3.814 1.00 0.00 O ATOM 206 CB GLN A 15 -0.039 8.470 1.329 1.00 0.00 C ATOM 207 CG GLN A 15 -0.484 9.910 1.030 1.00 0.00 C ATOM 208 CD GLN A 15 -1.801 10.283 1.716 1.00 0.00 C ATOM 209 OE1 GLN A 15 -1.825 10.889 2.780 1.00 0.00 O ATOM 210 NE2 GLN A 15 -2.940 9.917 1.165 1.00 0.00 N ATOM 0 H GLN A 15 2.269 8.584 2.318 1.00 0.00 H new ATOM 0 HA GLN A 15 -0.431 8.773 3.420 1.00 0.00 H new ATOM 0 HB2 GLN A 15 0.846 8.243 0.734 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -0.823 7.784 1.008 1.00 0.00 H new ATOM 0 HG2 GLN A 15 0.296 10.600 1.353 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -0.594 10.034 -0.047 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -2.939 9.412 0.279 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -3.823 10.139 1.624 1.00 0.00 H new ATOM 219 N LEU A 16 1.086 5.873 2.828 1.00 0.00 N ATOM 220 CA LEU A 16 1.138 4.452 3.173 1.00 0.00 C ATOM 221 C LEU A 16 1.056 4.208 4.687 1.00 0.00 C ATOM 222 O LEU A 16 0.403 3.260 5.124 1.00 0.00 O ATOM 223 CB LEU A 16 2.445 3.884 2.595 1.00 0.00 C ATOM 224 CG LEU A 16 2.425 3.668 1.071 1.00 0.00 C ATOM 225 CD1 LEU A 16 3.835 3.388 0.543 1.00 0.00 C ATOM 226 CD2 LEU A 16 1.538 2.475 0.708 1.00 0.00 C ATOM 0 H LEU A 16 1.893 6.172 2.281 1.00 0.00 H new ATOM 0 HA LEU A 16 0.271 3.947 2.747 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.262 4.561 2.843 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.660 2.933 3.082 1.00 0.00 H new ATOM 0 HG LEU A 16 2.033 4.579 0.619 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.796 3.239 -0.536 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.483 4.235 0.769 1.00 0.00 H new ATOM 0 HD13 LEU A 16 4.231 2.491 1.020 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.537 2.338 -0.373 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.924 1.575 1.187 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.520 2.660 1.052 1.00 0.00 H new ATOM 238 N GLU A 17 1.671 5.077 5.492 1.00 0.00 N ATOM 239 CA GLU A 17 1.629 4.988 6.953 1.00 0.00 C ATOM 240 C GLU A 17 0.200 5.078 7.520 1.00 0.00 C ATOM 241 O GLU A 17 -0.090 4.490 8.562 1.00 0.00 O ATOM 242 CB GLU A 17 2.519 6.084 7.553 1.00 0.00 C ATOM 243 CG GLU A 17 2.842 5.813 9.026 1.00 0.00 C ATOM 244 CD GLU A 17 3.838 6.845 9.575 1.00 0.00 C ATOM 245 OE1 GLU A 17 3.408 7.953 9.976 1.00 0.00 O1- ATOM 246 OE2 GLU A 17 5.056 6.553 9.623 1.00 0.00 O ATOM 0 H GLU A 17 2.216 5.867 5.146 1.00 0.00 H new ATOM 0 HA GLU A 17 2.005 4.004 7.234 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.446 6.151 6.984 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.019 7.048 7.462 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.924 5.841 9.613 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.257 4.811 9.132 1.00 0.00 H new ATOM 253 N ASN A 18 -0.724 5.749 6.824 1.00 0.00 N ATOM 254 CA ASN A 18 -2.130 5.840 7.244 1.00 0.00 C ATOM 255 C ASN A 18 -2.856 4.480 7.265 1.00 0.00 C ATOM 256 O ASN A 18 -3.883 4.343 7.934 1.00 0.00 O ATOM 257 CB ASN A 18 -2.908 6.803 6.334 1.00 0.00 C ATOM 258 CG ASN A 18 -2.368 8.231 6.308 1.00 0.00 C ATOM 259 OD1 ASN A 18 -1.848 8.754 7.288 1.00 0.00 O ATOM 260 ND2 ASN A 18 -2.510 8.912 5.185 1.00 0.00 N ATOM 0 H ASN A 18 -0.521 6.244 5.955 1.00 0.00 H new ATOM 0 HA ASN A 18 -2.105 6.215 8.267 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -2.901 6.408 5.318 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -3.948 6.828 6.659 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -2.186 9.878 5.130 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -2.943 8.472 4.373 1.00 0.00 H new ATOM 267 N TYR A 19 -2.333 3.474 6.553 1.00 0.00 N ATOM 268 CA TYR A 19 -2.876 2.110 6.508 1.00 0.00 C ATOM 269 C TYR A 19 -2.030 1.122 7.341 1.00 0.00 C ATOM 270 O TYR A 19 -2.305 -0.080 7.360 1.00 0.00 O ATOM 271 CB TYR A 19 -3.024 1.668 5.042 1.00 0.00 C ATOM 272 CG TYR A 19 -3.519 2.750 4.094 1.00 0.00 C ATOM 273 CD1 TYR A 19 -4.883 3.092 4.021 1.00 0.00 C ATOM 274 CD2 TYR A 19 -2.588 3.444 3.302 1.00 0.00 C ATOM 275 CE1 TYR A 19 -5.307 4.130 3.165 1.00 0.00 C ATOM 276 CE2 TYR A 19 -2.997 4.473 2.438 1.00 0.00 C ATOM 277 CZ TYR A 19 -4.364 4.824 2.370 1.00 0.00 C ATOM 278 OH TYR A 19 -4.768 5.826 1.540 1.00 0.00 O ATOM 0 H TYR A 19 -1.499 3.589 5.977 1.00 0.00 H new ATOM 0 HA TYR A 19 -3.864 2.108 6.969 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -2.058 1.308 4.687 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -3.714 0.825 5.000 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -5.606 2.559 4.621 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -1.542 3.182 3.359 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -6.353 4.395 3.116 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -2.271 4.993 1.830 1.00 0.00 H new ATOM 0 HH TYR A 19 -3.991 6.194 1.070 1.00 0.00 H new ATOM 288 N CYS A 20 -1.009 1.621 8.052 1.00 0.00 N ATOM 289 CA CYS A 20 -0.256 0.859 9.054 1.00 0.00 C ATOM 290 C CYS A 20 -1.149 0.551 10.273 1.00 0.00 C ATOM 291 O CYS A 20 -2.039 1.339 10.611 1.00 0.00 O ATOM 292 CB CYS A 20 1.016 1.636 9.424 1.00 0.00 C ATOM 293 SG CYS A 20 2.225 0.805 10.495 1.00 0.00 S ATOM 0 H CYS A 20 -0.679 2.580 7.944 1.00 0.00 H new ATOM 0 HA CYS A 20 0.052 -0.104 8.648 1.00 0.00 H new ATOM 0 HB2 CYS A 20 1.521 1.914 8.499 1.00 0.00 H new ATOM 0 HB3 CYS A 20 0.714 2.562 9.913 1.00 0.00 H new ATOM 298 N ASN A 21 -0.956 -0.603 10.917 1.00 0.00 N ATOM 299 CA ASN A 21 -1.872 -1.108 11.956 1.00 0.00 C ATOM 300 C ASN A 21 -2.028 -0.205 13.199 1.00 0.00 C ATOM 301 O ASN A 21 -1.103 0.500 13.626 1.00 0.00 O ATOM 302 CB ASN A 21 -1.545 -2.561 12.315 1.00 0.00 C ATOM 303 CG ASN A 21 -0.225 -2.785 13.036 1.00 0.00 C ATOM 304 OD1 ASN A 21 0.563 -1.887 13.311 1.00 0.00 O ATOM 305 ND2 ASN A 21 0.041 -4.028 13.367 1.00 0.00 N ATOM 0 H ASN A 21 -0.162 -1.217 10.736 1.00 0.00 H new ATOM 0 HA ASN A 21 -2.863 -1.079 11.504 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -2.349 -2.951 12.940 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -1.540 -3.150 11.398 1.00 0.00 H new ATOM 0 HD21 ASN A 21 0.908 -4.251 13.856 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -0.619 -4.770 13.135 1.00 0.00 H new TER 312 ASN A 21 ATOM 313 N PHE B 1 11.726 0.058 -1.710 1.00 0.00 N ATOM 314 CA PHE B 1 10.975 0.578 -2.852 1.00 0.00 C ATOM 315 C PHE B 1 11.156 2.103 -3.036 1.00 0.00 C ATOM 316 O PHE B 1 11.766 2.776 -2.201 1.00 0.00 O ATOM 317 CB PHE B 1 9.498 0.156 -2.742 1.00 0.00 C ATOM 318 CG PHE B 1 8.671 1.024 -1.817 1.00 0.00 C ATOM 319 CD1 PHE B 1 8.849 0.927 -0.427 1.00 0.00 C ATOM 320 CD2 PHE B 1 7.764 1.961 -2.346 1.00 0.00 C ATOM 321 CE1 PHE B 1 8.118 1.757 0.437 1.00 0.00 C ATOM 322 CE2 PHE B 1 7.040 2.802 -1.483 1.00 0.00 C ATOM 323 CZ PHE B 1 7.219 2.698 -0.092 1.00 0.00 C ATOM 0 H1 PHE B 1 11.782 -0.978 -1.774 1.00 0.00 H new ATOM 0 H2 PHE B 1 12.686 0.458 -1.715 1.00 0.00 H new ATOM 0 H3 PHE B 1 11.244 0.324 -0.828 1.00 0.00 H new ATOM 0 HA PHE B 1 11.382 0.136 -3.761 1.00 0.00 H new ATOM 0 HB2 PHE B 1 9.051 0.176 -3.736 1.00 0.00 H new ATOM 0 HB3 PHE B 1 9.452 -0.875 -2.392 1.00 0.00 H new ATOM 0 HD1 PHE B 1 9.550 0.212 -0.022 1.00 0.00 H new ATOM 0 HD2 PHE B 1 7.624 2.034 -3.414 1.00 0.00 H new ATOM 0 HE1 PHE B 1 8.246 1.672 1.506 1.00 0.00 H new ATOM 0 HE2 PHE B 1 6.348 3.526 -1.887 1.00 0.00 H new ATOM 0 HZ PHE B 1 6.663 3.344 0.572 1.00 0.00 H new ATOM 333 N VAL B 2 10.612 2.642 -4.132 1.00 0.00 N ATOM 334 CA VAL B 2 10.604 4.078 -4.484 1.00 0.00 C ATOM 335 C VAL B 2 9.191 4.474 -4.933 1.00 0.00 C ATOM 336 O VAL B 2 8.508 3.677 -5.577 1.00 0.00 O ATOM 337 CB VAL B 2 11.622 4.392 -5.612 1.00 0.00 C ATOM 338 CG1 VAL B 2 11.693 5.895 -5.940 1.00 0.00 C ATOM 339 CG2 VAL B 2 13.044 3.917 -5.257 1.00 0.00 C ATOM 0 H VAL B 2 10.143 2.069 -4.833 1.00 0.00 H new ATOM 0 HA VAL B 2 10.896 4.653 -3.605 1.00 0.00 H new ATOM 0 HB VAL B 2 11.256 3.848 -6.483 1.00 0.00 H new ATOM 0 HG11 VAL B 2 12.420 6.060 -6.735 1.00 0.00 H new ATOM 0 HG12 VAL B 2 10.713 6.243 -6.266 1.00 0.00 H new ATOM 0 HG13 VAL B 2 11.997 6.448 -5.051 1.00 0.00 H new ATOM 0 HG21 VAL B 2 13.723 4.158 -6.075 1.00 0.00 H new ATOM 0 HG22 VAL B 2 13.379 4.418 -4.349 1.00 0.00 H new ATOM 0 HG23 VAL B 2 13.038 2.839 -5.096 1.00 0.00 H new ATOM 349 N ASN B 3 8.765 5.700 -4.610 1.00 0.00 N ATOM 350 CA ASN B 3 7.453 6.261 -4.969 1.00 0.00 C ATOM 351 C ASN B 3 7.180 6.164 -6.484 1.00 0.00 C ATOM 352 O ASN B 3 7.945 6.679 -7.303 1.00 0.00 O ATOM 353 CB ASN B 3 7.358 7.715 -4.470 1.00 0.00 C ATOM 354 CG ASN B 3 7.610 7.882 -2.969 1.00 0.00 C ATOM 355 OD1 ASN B 3 7.331 7.012 -2.151 1.00 0.00 O ATOM 356 ND2 ASN B 3 8.177 9.005 -2.562 1.00 0.00 N ATOM 0 H ASN B 3 9.340 6.351 -4.075 1.00 0.00 H new ATOM 0 HA ASN B 3 6.680 5.669 -4.479 1.00 0.00 H new ATOM 0 HB2 ASN B 3 8.078 8.323 -5.018 1.00 0.00 H new ATOM 0 HB3 ASN B 3 6.368 8.104 -4.706 1.00 0.00 H new ATOM 0 HD21 ASN B 3 8.380 9.144 -1.572 1.00 0.00 H new ATOM 0 HD22 ASN B 3 8.411 9.732 -3.238 1.00 0.00 H new ATOM 363 N GLN B 4 6.088 5.486 -6.850 1.00 0.00 N ATOM 364 CA GLN B 4 5.719 5.126 -8.222 1.00 0.00 C ATOM 365 C GLN B 4 4.245 4.698 -8.281 1.00 0.00 C ATOM 366 O GLN B 4 3.567 4.625 -7.255 1.00 0.00 O ATOM 367 CB GLN B 4 6.658 4.022 -8.755 1.00 0.00 C ATOM 368 CG GLN B 4 6.443 2.644 -8.100 1.00 0.00 C ATOM 369 CD GLN B 4 7.553 1.668 -8.485 1.00 0.00 C ATOM 370 OE1 GLN B 4 7.428 0.856 -9.393 1.00 0.00 O ATOM 371 NE2 GLN B 4 8.695 1.735 -7.830 1.00 0.00 N ATOM 0 H GLN B 4 5.406 5.158 -6.166 1.00 0.00 H new ATOM 0 HA GLN B 4 5.835 5.998 -8.866 1.00 0.00 H new ATOM 0 HB2 GLN B 4 6.515 3.927 -9.831 1.00 0.00 H new ATOM 0 HB3 GLN B 4 7.691 4.331 -8.596 1.00 0.00 H new ATOM 0 HG2 GLN B 4 6.413 2.755 -7.016 1.00 0.00 H new ATOM 0 HG3 GLN B 4 5.478 2.240 -8.406 1.00 0.00 H new ATOM 0 HE21 GLN B 4 8.809 2.408 -7.072 1.00 0.00 H new ATOM 0 HE22 GLN B 4 9.464 1.114 -8.081 1.00 0.00 H new ATOM 380 N HIS B 5 3.747 4.375 -9.477 1.00 0.00 N ATOM 381 CA HIS B 5 2.390 3.860 -9.695 1.00 0.00 C ATOM 382 C HIS B 5 2.248 2.390 -9.233 1.00 0.00 C ATOM 383 O HIS B 5 2.168 1.458 -10.041 1.00 0.00 O ATOM 384 CB HIS B 5 2.004 4.089 -11.164 1.00 0.00 C ATOM 385 CG HIS B 5 1.954 5.548 -11.527 1.00 0.00 C ATOM 386 ND1 HIS B 5 0.961 6.441 -11.123 1.00 0.00 N ATOM 387 CD2 HIS B 5 2.889 6.225 -12.254 1.00 0.00 C ATOM 388 CE1 HIS B 5 1.321 7.635 -11.619 1.00 0.00 C ATOM 389 NE2 HIS B 5 2.473 7.538 -12.306 1.00 0.00 N ATOM 0 H HIS B 5 4.285 4.465 -10.339 1.00 0.00 H new ATOM 0 HA HIS B 5 1.681 4.408 -9.074 1.00 0.00 H new ATOM 0 HB2 HIS B 5 2.723 3.582 -11.808 1.00 0.00 H new ATOM 0 HB3 HIS B 5 1.031 3.637 -11.355 1.00 0.00 H new ATOM 0 HD2 HIS B 5 3.781 5.813 -12.702 1.00 0.00 H new ATOM 0 HE1 HIS B 5 0.762 8.549 -11.485 1.00 0.00 H new ATOM 0 HE2 HIS B 5 2.954 8.301 -12.782 1.00 0.00 H new ATOM 397 N LEU B 6 2.254 2.196 -7.909 1.00 0.00 N ATOM 398 CA LEU B 6 2.015 0.925 -7.217 1.00 0.00 C ATOM 399 C LEU B 6 0.612 0.363 -7.524 1.00 0.00 C ATOM 400 O LEU B 6 -0.258 1.073 -8.028 1.00 0.00 O ATOM 401 CB LEU B 6 2.174 1.146 -5.692 1.00 0.00 C ATOM 402 CG LEU B 6 3.555 1.632 -5.198 1.00 0.00 C ATOM 403 CD1 LEU B 6 3.474 1.925 -3.696 1.00 0.00 C ATOM 404 CD2 LEU B 6 4.657 0.599 -5.456 1.00 0.00 C ATOM 0 H LEU B 6 2.435 2.961 -7.259 1.00 0.00 H new ATOM 0 HA LEU B 6 2.743 0.196 -7.572 1.00 0.00 H new ATOM 0 HB2 LEU B 6 1.425 1.871 -5.374 1.00 0.00 H new ATOM 0 HB3 LEU B 6 1.944 0.208 -5.187 1.00 0.00 H new ATOM 0 HG LEU B 6 3.812 2.533 -5.754 1.00 0.00 H new ATOM 0 HD11 LEU B 6 4.445 2.269 -3.339 1.00 0.00 H new ATOM 0 HD12 LEU B 6 2.727 2.698 -3.516 1.00 0.00 H new ATOM 0 HD13 LEU B 6 3.192 1.017 -3.163 1.00 0.00 H new ATOM 0 HD21 LEU B 6 5.609 0.984 -5.092 1.00 0.00 H new ATOM 0 HD22 LEU B 6 4.417 -0.327 -4.934 1.00 0.00 H new ATOM 0 HD23 LEU B 6 4.729 0.404 -6.526 1.00 0.00 H new ATOM 416 N CYS B 7 0.401 -0.906 -7.160 1.00 0.00 N ATOM 417 CA CYS B 7 -0.892 -1.602 -7.014 1.00 0.00 C ATOM 418 C CYS B 7 -0.668 -3.041 -6.512 1.00 0.00 C ATOM 419 O CYS B 7 0.406 -3.607 -6.736 1.00 0.00 O ATOM 420 CB CYS B 7 -1.718 -1.603 -8.315 1.00 0.00 C ATOM 421 SG CYS B 7 -3.424 -2.199 -8.131 1.00 0.00 S ATOM 0 H CYS B 7 1.184 -1.523 -6.943 1.00 0.00 H new ATOM 0 HA CYS B 7 -1.473 -1.048 -6.276 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -1.743 -0.589 -8.714 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -1.208 -2.223 -9.052 1.00 0.00 H new ATOM 426 N GLY B 8 -1.654 -3.631 -5.825 1.00 0.00 N ATOM 427 CA GLY B 8 -1.676 -5.059 -5.480 1.00 0.00 C ATOM 428 C GLY B 8 -0.484 -5.494 -4.629 1.00 0.00 C ATOM 429 O GLY B 8 -0.230 -4.936 -3.561 1.00 0.00 O ATOM 0 H GLY B 8 -2.471 -3.123 -5.488 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -2.598 -5.282 -4.942 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -1.692 -5.647 -6.398 1.00 0.00 H new ATOM 433 N SER B 9 0.260 -6.488 -5.109 1.00 0.00 N ATOM 434 CA SER B 9 1.476 -7.007 -4.469 1.00 0.00 C ATOM 435 C SER B 9 2.513 -5.906 -4.191 1.00 0.00 C ATOM 436 O SER B 9 2.953 -5.762 -3.055 1.00 0.00 O ATOM 437 CB SER B 9 2.078 -8.127 -5.333 1.00 0.00 C ATOM 438 OG SER B 9 2.219 -7.733 -6.696 1.00 0.00 O ATOM 0 H SER B 9 0.031 -6.971 -5.978 1.00 0.00 H new ATOM 0 HA SER B 9 1.193 -7.412 -3.498 1.00 0.00 H new ATOM 0 HB2 SER B 9 3.053 -8.408 -4.934 1.00 0.00 H new ATOM 0 HB3 SER B 9 1.443 -9.011 -5.275 1.00 0.00 H new ATOM 0 HG SER B 9 2.606 -8.471 -7.211 1.00 0.00 H new ATOM 444 N HIS B 10 2.845 -5.051 -5.163 1.00 0.00 N ATOM 445 CA HIS B 10 3.769 -3.922 -4.968 1.00 0.00 C ATOM 446 C HIS B 10 3.291 -2.952 -3.867 1.00 0.00 C ATOM 447 O HIS B 10 4.097 -2.421 -3.105 1.00 0.00 O ATOM 448 CB HIS B 10 3.945 -3.170 -6.301 1.00 0.00 C ATOM 449 CG HIS B 10 5.348 -2.688 -6.582 1.00 0.00 C ATOM 450 ND1 HIS B 10 5.880 -2.510 -7.860 1.00 0.00 N ATOM 451 CD2 HIS B 10 6.288 -2.322 -5.661 1.00 0.00 C ATOM 452 CE1 HIS B 10 7.127 -2.046 -7.676 1.00 0.00 C ATOM 453 NE2 HIS B 10 7.401 -1.924 -6.366 1.00 0.00 N ATOM 0 H HIS B 10 2.480 -5.120 -6.113 1.00 0.00 H new ATOM 0 HA HIS B 10 4.725 -4.328 -4.638 1.00 0.00 H new ATOM 0 HB2 HIS B 10 3.632 -3.825 -7.114 1.00 0.00 H new ATOM 0 HB3 HIS B 10 3.274 -2.311 -6.308 1.00 0.00 H new ATOM 0 HD2 HIS B 10 6.179 -2.341 -4.587 1.00 0.00 H new ATOM 0 HE1 HIS B 10 7.815 -1.804 -8.472 1.00 0.00 H new ATOM 0 HE2 HIS B 10 8.279 -1.595 -5.965 1.00 0.00 H new ATOM 461 N LEU B 11 1.972 -2.750 -3.756 1.00 0.00 N ATOM 462 CA LEU B 11 1.347 -1.918 -2.721 1.00 0.00 C ATOM 463 C LEU B 11 1.443 -2.606 -1.344 1.00 0.00 C ATOM 464 O LEU B 11 1.843 -1.966 -0.378 1.00 0.00 O ATOM 465 CB LEU B 11 -0.101 -1.607 -3.156 1.00 0.00 C ATOM 466 CG LEU B 11 -0.669 -0.231 -2.750 1.00 0.00 C ATOM 467 CD1 LEU B 11 -2.160 -0.187 -3.116 1.00 0.00 C ATOM 468 CD2 LEU B 11 -0.504 0.103 -1.266 1.00 0.00 C ATOM 0 H LEU B 11 1.297 -3.169 -4.396 1.00 0.00 H new ATOM 0 HA LEU B 11 1.873 -0.970 -2.611 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -0.155 -1.690 -4.242 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -0.752 -2.378 -2.745 1.00 0.00 H new ATOM 0 HG LEU B 11 -0.094 0.518 -3.294 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -2.575 0.781 -2.835 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -2.275 -0.333 -4.190 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -2.689 -0.978 -2.584 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -0.929 1.086 -1.065 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -1.020 -0.646 -0.665 1.00 0.00 H new ATOM 0 HD23 LEU B 11 0.555 0.107 -1.009 1.00 0.00 H new ATOM 480 N VAL B 12 1.182 -3.915 -1.263 1.00 0.00 N ATOM 481 CA VAL B 12 1.394 -4.735 -0.047 1.00 0.00 C ATOM 482 C VAL B 12 2.862 -4.711 0.411 1.00 0.00 C ATOM 483 O VAL B 12 3.130 -4.565 1.602 1.00 0.00 O ATOM 484 CB VAL B 12 0.929 -6.198 -0.274 1.00 0.00 C ATOM 485 CG1 VAL B 12 1.391 -7.192 0.809 1.00 0.00 C ATOM 486 CG2 VAL B 12 -0.601 -6.277 -0.374 1.00 0.00 C ATOM 0 H VAL B 12 0.812 -4.451 -2.048 1.00 0.00 H new ATOM 0 HA VAL B 12 0.789 -4.293 0.744 1.00 0.00 H new ATOM 0 HB VAL B 12 1.403 -6.492 -1.210 1.00 0.00 H new ATOM 0 HG11 VAL B 12 1.021 -8.189 0.570 1.00 0.00 H new ATOM 0 HG12 VAL B 12 2.480 -7.209 0.847 1.00 0.00 H new ATOM 0 HG13 VAL B 12 0.999 -6.882 1.778 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -0.902 -7.312 -0.533 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -1.046 -5.908 0.550 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -0.943 -5.667 -1.210 1.00 0.00 H new ATOM 496 N GLU B 13 3.806 -4.824 -0.527 1.00 0.00 N ATOM 497 CA GLU B 13 5.250 -4.743 -0.277 1.00 0.00 C ATOM 498 C GLU B 13 5.646 -3.354 0.241 1.00 0.00 C ATOM 499 O GLU B 13 6.366 -3.249 1.232 1.00 0.00 O ATOM 500 CB GLU B 13 6.031 -5.037 -1.569 1.00 0.00 C ATOM 501 CG GLU B 13 5.918 -6.483 -2.066 1.00 0.00 C ATOM 502 CD GLU B 13 6.904 -7.416 -1.348 1.00 0.00 C ATOM 503 OE1 GLU B 13 8.065 -7.543 -1.807 1.00 0.00 O ATOM 504 OE2 GLU B 13 6.524 -8.042 -0.331 1.00 0.00 O1- ATOM 0 H GLU B 13 3.582 -4.979 -1.510 1.00 0.00 H new ATOM 0 HA GLU B 13 5.496 -5.486 0.482 1.00 0.00 H new ATOM 0 HB2 GLU B 13 5.676 -4.368 -2.353 1.00 0.00 H new ATOM 0 HB3 GLU B 13 7.083 -4.804 -1.403 1.00 0.00 H new ATOM 0 HG2 GLU B 13 4.901 -6.842 -1.910 1.00 0.00 H new ATOM 0 HG3 GLU B 13 6.106 -6.513 -3.139 1.00 0.00 H new ATOM 511 N ALA B 14 5.149 -2.285 -0.389 1.00 0.00 N ATOM 512 CA ALA B 14 5.382 -0.907 0.033 1.00 0.00 C ATOM 513 C ALA B 14 4.846 -0.658 1.451 1.00 0.00 C ATOM 514 O ALA B 14 5.578 -0.173 2.317 1.00 0.00 O ATOM 515 CB ALA B 14 4.725 0.021 -0.994 1.00 0.00 C ATOM 0 H ALA B 14 4.563 -2.358 -1.221 1.00 0.00 H new ATOM 0 HA ALA B 14 6.452 -0.706 0.074 1.00 0.00 H new ATOM 0 HB1 ALA B 14 4.885 1.059 -0.701 1.00 0.00 H new ATOM 0 HB2 ALA B 14 5.167 -0.151 -1.975 1.00 0.00 H new ATOM 0 HB3 ALA B 14 3.655 -0.183 -1.037 1.00 0.00 H new ATOM 521 N LEU B 15 3.595 -1.054 1.715 1.00 0.00 N ATOM 522 CA LEU B 15 2.981 -0.970 3.039 1.00 0.00 C ATOM 523 C LEU B 15 3.803 -1.712 4.094 1.00 0.00 C ATOM 524 O LEU B 15 4.055 -1.158 5.160 1.00 0.00 O ATOM 525 CB LEU B 15 1.548 -1.534 2.997 1.00 0.00 C ATOM 526 CG LEU B 15 0.472 -0.614 2.421 1.00 0.00 C ATOM 527 CD1 LEU B 15 -0.836 -1.397 2.301 1.00 0.00 C ATOM 528 CD2 LEU B 15 0.239 0.614 3.303 1.00 0.00 C ATOM 0 H LEU B 15 2.976 -1.446 1.005 1.00 0.00 H new ATOM 0 HA LEU B 15 2.949 0.083 3.321 1.00 0.00 H new ATOM 0 HB2 LEU B 15 1.560 -2.454 2.412 1.00 0.00 H new ATOM 0 HB3 LEU B 15 1.258 -1.805 4.012 1.00 0.00 H new ATOM 0 HG LEU B 15 0.811 -0.267 1.445 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -1.611 -0.750 1.891 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -0.689 -2.251 1.640 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -1.141 -1.749 3.286 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -0.533 1.241 2.857 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -0.081 0.294 4.295 1.00 0.00 H new ATOM 0 HD23 LEU B 15 1.165 1.183 3.386 1.00 0.00 H new ATOM 540 N TYR B 16 4.280 -2.923 3.798 1.00 0.00 N ATOM 541 CA TYR B 16 5.165 -3.675 4.691 1.00 0.00 C ATOM 542 C TYR B 16 6.510 -2.960 4.924 1.00 0.00 C ATOM 543 O TYR B 16 6.976 -2.891 6.060 1.00 0.00 O ATOM 544 CB TYR B 16 5.375 -5.090 4.132 1.00 0.00 C ATOM 545 CG TYR B 16 6.488 -5.835 4.843 1.00 0.00 C ATOM 546 CD1 TYR B 16 6.280 -6.340 6.141 1.00 0.00 C ATOM 547 CD2 TYR B 16 7.766 -5.913 4.254 1.00 0.00 C ATOM 548 CE1 TYR B 16 7.348 -6.917 6.853 1.00 0.00 C ATOM 549 CE2 TYR B 16 8.840 -6.481 4.964 1.00 0.00 C ATOM 550 CZ TYR B 16 8.633 -6.986 6.269 1.00 0.00 C ATOM 551 OH TYR B 16 9.667 -7.528 6.972 1.00 0.00 O ATOM 0 H TYR B 16 4.063 -3.412 2.929 1.00 0.00 H new ATOM 0 HA TYR B 16 4.684 -3.741 5.667 1.00 0.00 H new ATOM 0 HB2 TYR B 16 4.447 -5.655 4.224 1.00 0.00 H new ATOM 0 HB3 TYR B 16 5.606 -5.027 3.069 1.00 0.00 H new ATOM 0 HD1 TYR B 16 5.300 -6.284 6.591 1.00 0.00 H new ATOM 0 HD2 TYR B 16 7.922 -5.535 3.254 1.00 0.00 H new ATOM 0 HE1 TYR B 16 7.185 -7.307 7.847 1.00 0.00 H new ATOM 0 HE2 TYR B 16 9.820 -6.531 4.513 1.00 0.00 H new ATOM 0 HH TYR B 16 10.482 -7.501 6.428 1.00 0.00 H new ATOM 561 N LEU B 17 7.125 -2.389 3.883 1.00 0.00 N ATOM 562 CA LEU B 17 8.401 -1.669 3.990 1.00 0.00 C ATOM 563 C LEU B 17 8.271 -0.343 4.763 1.00 0.00 C ATOM 564 O LEU B 17 9.197 0.025 5.485 1.00 0.00 O ATOM 565 CB LEU B 17 8.985 -1.480 2.578 1.00 0.00 C ATOM 566 CG LEU B 17 9.545 -2.787 1.968 1.00 0.00 C ATOM 567 CD1 LEU B 17 9.844 -2.582 0.478 1.00 0.00 C ATOM 568 CD2 LEU B 17 10.824 -3.265 2.675 1.00 0.00 C ATOM 0 H LEU B 17 6.750 -2.413 2.935 1.00 0.00 H new ATOM 0 HA LEU B 17 9.095 -2.266 4.581 1.00 0.00 H new ATOM 0 HB2 LEU B 17 8.210 -1.084 1.922 1.00 0.00 H new ATOM 0 HB3 LEU B 17 9.780 -0.736 2.618 1.00 0.00 H new ATOM 0 HG LEU B 17 8.782 -3.553 2.103 1.00 0.00 H new ATOM 0 HD11 LEU B 17 10.238 -3.506 0.055 1.00 0.00 H new ATOM 0 HD12 LEU B 17 8.927 -2.307 -0.043 1.00 0.00 H new ATOM 0 HD13 LEU B 17 10.580 -1.787 0.361 1.00 0.00 H new ATOM 0 HD21 LEU B 17 11.175 -4.185 2.208 1.00 0.00 H new ATOM 0 HD22 LEU B 17 11.594 -2.498 2.591 1.00 0.00 H new ATOM 0 HD23 LEU B 17 10.610 -3.451 3.728 1.00 0.00 H new ATOM 580 N VAL B 18 7.124 0.337 4.675 1.00 0.00 N ATOM 581 CA VAL B 18 6.798 1.532 5.484 1.00 0.00 C ATOM 582 C VAL B 18 6.481 1.159 6.940 1.00 0.00 C ATOM 583 O VAL B 18 7.102 1.675 7.868 1.00 0.00 O ATOM 584 CB VAL B 18 5.609 2.307 4.870 1.00 0.00 C ATOM 585 CG1 VAL B 18 5.097 3.462 5.750 1.00 0.00 C ATOM 586 CG2 VAL B 18 6.020 2.890 3.516 1.00 0.00 C ATOM 0 H VAL B 18 6.378 0.074 4.031 1.00 0.00 H new ATOM 0 HA VAL B 18 7.679 2.173 5.479 1.00 0.00 H new ATOM 0 HB VAL B 18 4.799 1.584 4.774 1.00 0.00 H new ATOM 0 HG11 VAL B 18 4.263 3.957 5.252 1.00 0.00 H new ATOM 0 HG12 VAL B 18 4.764 3.068 6.710 1.00 0.00 H new ATOM 0 HG13 VAL B 18 5.901 4.180 5.912 1.00 0.00 H new ATOM 0 HG21 VAL B 18 5.181 3.436 3.085 1.00 0.00 H new ATOM 0 HG22 VAL B 18 6.862 3.568 3.652 1.00 0.00 H new ATOM 0 HG23 VAL B 18 6.310 2.082 2.845 1.00 0.00 H new ATOM 596 N CYS B 19 5.499 0.275 7.138 1.00 0.00 N ATOM 597 CA CYS B 19 4.946 -0.082 8.457 1.00 0.00 C ATOM 598 C CYS B 19 5.871 -0.983 9.301 1.00 0.00 C ATOM 599 O CYS B 19 5.811 -0.961 10.532 1.00 0.00 O ATOM 600 CB CYS B 19 3.586 -0.753 8.217 1.00 0.00 C ATOM 601 SG CYS B 19 2.542 -1.031 9.672 1.00 0.00 S ATOM 0 H CYS B 19 5.053 -0.227 6.370 1.00 0.00 H new ATOM 0 HA CYS B 19 4.842 0.829 9.046 1.00 0.00 H new ATOM 0 HB2 CYS B 19 3.026 -0.142 7.509 1.00 0.00 H new ATOM 0 HB3 CYS B 19 3.762 -1.716 7.737 1.00 0.00 H new ATOM 606 N GLY B 20 6.742 -1.763 8.652 1.00 0.00 N ATOM 607 CA GLY B 20 7.666 -2.719 9.273 1.00 0.00 C ATOM 608 C GLY B 20 7.019 -4.077 9.565 1.00 0.00 C ATOM 609 O GLY B 20 5.958 -4.411 9.035 1.00 0.00 O ATOM 0 H GLY B 20 6.826 -1.745 7.636 1.00 0.00 H new ATOM 0 HA2 GLY B 20 8.523 -2.865 8.616 1.00 0.00 H new ATOM 0 HA3 GLY B 20 8.046 -2.296 10.203 1.00 0.00 H new ATOM 613 N GLU B 21 7.658 -4.846 10.453 1.00 0.00 N ATOM 614 CA GLU B 21 7.226 -6.185 10.899 1.00 0.00 C ATOM 615 C GLU B 21 5.822 -6.200 11.549 1.00 0.00 C ATOM 616 O GLU B 21 5.183 -7.251 11.640 1.00 0.00 O ATOM 617 CB GLU B 21 8.304 -6.735 11.853 1.00 0.00 C ATOM 618 CG GLU B 21 8.161 -8.231 12.167 1.00 0.00 C ATOM 619 CD GLU B 21 9.363 -8.738 12.980 1.00 0.00 C ATOM 620 OE1 GLU B 21 9.355 -8.608 14.228 1.00 0.00 O ATOM 621 OE2 GLU B 21 10.323 -9.277 12.379 1.00 0.00 O1- ATOM 0 H GLU B 21 8.524 -4.546 10.901 1.00 0.00 H new ATOM 0 HA GLU B 21 7.125 -6.827 10.024 1.00 0.00 H new ATOM 0 HB2 GLU B 21 9.286 -6.559 11.414 1.00 0.00 H new ATOM 0 HB3 GLU B 21 8.268 -6.174 12.787 1.00 0.00 H new ATOM 0 HG2 GLU B 21 7.241 -8.403 12.725 1.00 0.00 H new ATOM 0 HG3 GLU B 21 8.081 -8.796 11.238 1.00 0.00 H new ATOM 628 N ARG B 22 5.315 -5.025 11.950 1.00 0.00 N ATOM 629 CA ARG B 22 3.960 -4.790 12.470 1.00 0.00 C ATOM 630 C ARG B 22 2.850 -5.396 11.596 1.00 0.00 C ATOM 631 O ARG B 22 1.936 -6.032 12.129 1.00 0.00 O ATOM 632 CB ARG B 22 3.743 -3.270 12.584 1.00 0.00 C ATOM 633 CG ARG B 22 4.363 -2.698 13.866 1.00 0.00 C ATOM 634 CD ARG B 22 4.432 -1.166 13.868 1.00 0.00 C ATOM 635 NE ARG B 22 3.104 -0.527 13.851 1.00 0.00 N ATOM 636 CZ ARG B 22 2.872 0.772 14.003 1.00 0.00 C ATOM 637 NH1 ARG B 22 3.846 1.643 14.174 1.00 0.00 N ATOM 638 NH2 ARG B 22 1.639 1.222 13.986 1.00 0.00 N1+ ATOM 0 H ARG B 22 5.868 -4.168 11.919 1.00 0.00 H new ATOM 0 HA ARG B 22 3.893 -5.285 13.439 1.00 0.00 H new ATOM 0 HB2 ARG B 22 4.180 -2.775 11.717 1.00 0.00 H new ATOM 0 HB3 ARG B 22 2.675 -3.054 12.569 1.00 0.00 H new ATOM 0 HG2 ARG B 22 3.780 -3.031 14.725 1.00 0.00 H new ATOM 0 HG3 ARG B 22 5.368 -3.101 13.988 1.00 0.00 H new ATOM 0 HD2 ARG B 22 4.977 -0.834 14.752 1.00 0.00 H new ATOM 0 HD3 ARG B 22 5.000 -0.833 12.999 1.00 0.00 H new ATOM 0 HE ARG B 22 2.296 -1.133 13.711 1.00 0.00 H new ATOM 0 HH11 ARG B 22 4.816 1.327 14.193 1.00 0.00 H new ATOM 0 HH12 ARG B 22 3.630 2.633 14.288 1.00 0.00 H new ATOM 0 HH21 ARG B 22 0.862 0.575 13.856 1.00 0.00 H new ATOM 0 HH22 ARG B 22 1.458 2.219 14.103 1.00 0.00 H new ATOM 652 N GLY B 23 2.915 -5.198 10.274 1.00 0.00 N ATOM 653 CA GLY B 23 1.863 -5.599 9.329 1.00 0.00 C ATOM 654 C GLY B 23 0.754 -4.554 9.167 1.00 0.00 C ATOM 655 O GLY B 23 0.666 -3.580 9.913 1.00 0.00 O ATOM 0 H GLY B 23 3.711 -4.748 9.823 1.00 0.00 H new ATOM 0 HA2 GLY B 23 2.314 -5.792 8.356 1.00 0.00 H new ATOM 0 HA3 GLY B 23 1.421 -6.537 9.666 1.00 0.00 H new ATOM 659 N HIS B 24 -0.106 -4.774 8.174 1.00 0.00 N ATOM 660 CA HIS B 24 -1.150 -3.842 7.719 1.00 0.00 C ATOM 661 C HIS B 24 -2.444 -4.567 7.273 1.00 0.00 C ATOM 662 O HIS B 24 -2.441 -5.781 7.039 1.00 0.00 O ATOM 663 CB HIS B 24 -0.557 -2.978 6.594 1.00 0.00 C ATOM 664 CG HIS B 24 -0.058 -3.781 5.423 1.00 0.00 C ATOM 665 ND1 HIS B 24 -0.856 -4.311 4.414 1.00 0.00 N ATOM 666 CD2 HIS B 24 1.248 -4.047 5.137 1.00 0.00 C ATOM 667 CE1 HIS B 24 -0.007 -4.873 3.538 1.00 0.00 C ATOM 668 NE2 HIS B 24 1.264 -4.743 3.951 1.00 0.00 N ATOM 0 H HIS B 24 -0.098 -5.642 7.638 1.00 0.00 H new ATOM 0 HA HIS B 24 -1.455 -3.209 8.553 1.00 0.00 H new ATOM 0 HB2 HIS B 24 -1.315 -2.276 6.247 1.00 0.00 H new ATOM 0 HB3 HIS B 24 0.265 -2.386 6.996 1.00 0.00 H new ATOM 0 HD2 HIS B 24 2.106 -3.765 5.729 1.00 0.00 H new ATOM 0 HE1 HIS B 24 -0.307 -5.364 2.624 1.00 0.00 H new ATOM 0 HE2 HIS B 24 2.092 -5.097 3.472 1.00 0.00 H new ATOM 676 N PHE B 25 -3.560 -3.829 7.187 1.00 0.00 N ATOM 677 CA PHE B 25 -4.898 -4.398 6.962 1.00 0.00 C ATOM 678 C PHE B 25 -5.290 -4.572 5.482 1.00 0.00 C ATOM 679 O PHE B 25 -6.187 -5.363 5.186 1.00 0.00 O ATOM 680 CB PHE B 25 -5.937 -3.570 7.737 1.00 0.00 C ATOM 681 CG PHE B 25 -5.982 -2.082 7.433 1.00 0.00 C ATOM 682 CD1 PHE B 25 -6.578 -1.612 6.247 1.00 0.00 C ATOM 683 CD2 PHE B 25 -5.465 -1.159 8.365 1.00 0.00 C ATOM 684 CE1 PHE B 25 -6.658 -0.231 5.994 1.00 0.00 C ATOM 685 CE2 PHE B 25 -5.561 0.222 8.119 1.00 0.00 C ATOM 686 CZ PHE B 25 -6.164 0.687 6.937 1.00 0.00 C ATOM 0 H PHE B 25 -3.560 -2.813 7.272 1.00 0.00 H new ATOM 0 HA PHE B 25 -4.872 -5.419 7.344 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -6.924 -3.989 7.539 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -5.746 -3.695 8.803 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -6.975 -2.315 5.529 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -4.994 -1.514 9.270 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -7.099 0.125 5.075 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -5.171 0.926 8.839 1.00 0.00 H new ATOM 0 HZ PHE B 25 -6.248 1.748 6.754 1.00 0.00 H new ATOM 696 N TYR B 26 -4.639 -3.878 4.541 1.00 0.00 N ATOM 697 CA TYR B 26 -4.862 -4.077 3.102 1.00 0.00 C ATOM 698 C TYR B 26 -4.108 -5.319 2.591 1.00 0.00 C ATOM 699 O TYR B 26 -2.895 -5.286 2.383 1.00 0.00 O ATOM 700 CB TYR B 26 -4.475 -2.810 2.321 1.00 0.00 C ATOM 701 CG TYR B 26 -4.432 -3.006 0.812 1.00 0.00 C ATOM 702 CD1 TYR B 26 -5.616 -3.034 0.049 1.00 0.00 C ATOM 703 CD2 TYR B 26 -3.197 -3.224 0.175 1.00 0.00 C ATOM 704 CE1 TYR B 26 -5.558 -3.247 -1.344 1.00 0.00 C ATOM 705 CE2 TYR B 26 -3.127 -3.438 -1.209 1.00 0.00 C ATOM 706 CZ TYR B 26 -4.309 -3.434 -1.982 1.00 0.00 C ATOM 707 OH TYR B 26 -4.240 -3.621 -3.330 1.00 0.00 O ATOM 0 H TYR B 26 -3.943 -3.163 4.754 1.00 0.00 H new ATOM 0 HA TYR B 26 -5.924 -4.259 2.936 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -5.187 -2.019 2.555 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -3.497 -2.469 2.662 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -6.571 -2.892 0.532 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -2.289 -3.227 0.760 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -6.468 -3.267 -1.925 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -2.171 -3.606 -1.683 1.00 0.00 H new ATOM 0 HH TYR B 26 -3.304 -3.732 -3.597 1.00 0.00 H new ATOM 717 N THR B 27 -4.838 -6.412 2.343 1.00 0.00 N ATOM 718 CA THR B 27 -4.316 -7.642 1.723 1.00 0.00 C ATOM 719 C THR B 27 -5.328 -8.118 0.667 1.00 0.00 C ATOM 720 O THR B 27 -6.362 -8.680 1.044 1.00 0.00 O ATOM 721 CB THR B 27 -3.983 -8.711 2.780 1.00 0.00 C ATOM 722 OG1 THR B 27 -5.070 -8.905 3.661 1.00 0.00 O ATOM 723 CG2 THR B 27 -2.758 -8.312 3.619 1.00 0.00 C ATOM 0 H THR B 27 -5.830 -6.471 2.572 1.00 0.00 H new ATOM 0 HA THR B 27 -3.369 -7.441 1.222 1.00 0.00 H new ATOM 0 HB THR B 27 -3.770 -9.631 2.236 1.00 0.00 H new ATOM 0 HG1 THR B 27 -5.909 -8.889 3.154 1.00 0.00 H new ATOM 0 HG21 THR B 27 -2.552 -9.089 4.355 1.00 0.00 H new ATOM 0 HG22 THR B 27 -1.893 -8.192 2.966 1.00 0.00 H new ATOM 0 HG23 THR B 27 -2.959 -7.371 4.132 1.00 0.00 H new ATOM 731 N PRO B 28 -5.094 -7.842 -0.635 1.00 0.00 N ATOM 732 CA PRO B 28 -6.067 -8.061 -1.702 1.00 0.00 C ATOM 733 C PRO B 28 -6.158 -9.536 -2.109 1.00 0.00 C ATOM 734 O PRO B 28 -5.249 -10.329 -1.858 1.00 0.00 O ATOM 735 CB PRO B 28 -5.584 -7.203 -2.877 1.00 0.00 C ATOM 736 CG PRO B 28 -4.069 -7.194 -2.697 1.00 0.00 C ATOM 737 CD PRO B 28 -3.906 -7.199 -1.179 1.00 0.00 C ATOM 0 HA PRO B 28 -7.070 -7.786 -1.374 1.00 0.00 H new ATOM 0 HB2 PRO B 28 -5.874 -7.633 -3.836 1.00 0.00 H new ATOM 0 HB3 PRO B 28 -6.001 -6.196 -2.840 1.00 0.00 H new ATOM 0 HG2 PRO B 28 -3.602 -8.065 -3.156 1.00 0.00 H new ATOM 0 HG3 PRO B 28 -3.614 -6.313 -3.149 1.00 0.00 H new ATOM 0 HD2 PRO B 28 -3.005 -7.739 -0.888 1.00 0.00 H new ATOM 0 HD3 PRO B 28 -3.806 -6.183 -0.797 1.00 0.00 H new ATOM 745 N LYS B 29 -7.241 -9.890 -2.808 1.00 0.00 N ATOM 746 CA LYS B 29 -7.356 -11.176 -3.506 1.00 0.00 C ATOM 747 C LYS B 29 -6.456 -11.235 -4.750 1.00 0.00 C ATOM 748 O LYS B 29 -6.437 -10.306 -5.567 1.00 0.00 O ATOM 749 CB LYS B 29 -8.823 -11.439 -3.891 1.00 0.00 C ATOM 750 CG LYS B 29 -9.604 -11.971 -2.688 1.00 0.00 C ATOM 751 CD LYS B 29 -11.080 -12.202 -3.036 1.00 0.00 C ATOM 752 CE LYS B 29 -11.829 -12.747 -1.812 1.00 0.00 C ATOM 753 NZ LYS B 29 -13.266 -12.987 -2.107 1.00 0.00 N1+ ATOM 0 H LYS B 29 -8.063 -9.294 -2.906 1.00 0.00 H new ATOM 0 HA LYS B 29 -7.018 -11.956 -2.823 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -9.281 -10.518 -4.252 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -8.868 -12.159 -4.708 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -9.158 -12.906 -2.348 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -9.530 -11.263 -1.862 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -11.535 -11.268 -3.365 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -11.161 -12.905 -3.865 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -11.364 -13.678 -1.486 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -11.740 -12.040 -0.987 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -13.738 -13.355 -1.256 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -13.715 -12.094 -2.394 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -13.351 -13.681 -2.877 1.00 0.00 H new ATOM 767 N THR B 30 -5.757 -12.362 -4.913 1.00 0.00 N ATOM 768 CA THR B 30 -4.912 -12.700 -6.076 1.00 0.00 C ATOM 769 C THR B 30 -5.035 -14.168 -6.502 1.00 0.00 C ATOM 770 O THR B 30 -5.464 -15.019 -5.686 1.00 0.00 O ATOM 771 CB THR B 30 -3.430 -12.366 -5.832 1.00 0.00 C ATOM 772 OG1 THR B 30 -2.973 -12.981 -4.644 1.00 0.00 O ATOM 773 CG2 THR B 30 -3.178 -10.859 -5.715 1.00 0.00 C ATOM 774 OXT THR B 30 -4.745 -14.463 -7.684 1.00 0.00 O1- ATOM 0 H THR B 30 -5.761 -13.101 -4.210 1.00 0.00 H new ATOM 0 HA THR B 30 -5.290 -12.079 -6.888 1.00 0.00 H new ATOM 0 HB THR B 30 -2.887 -12.744 -6.698 1.00 0.00 H new ATOM 0 HG1 THR B 30 -2.028 -12.760 -4.504 1.00 0.00 H new ATOM 0 HG21 THR B 30 -2.117 -10.680 -5.543 1.00 0.00 H new ATOM 0 HG22 THR B 30 -3.485 -10.366 -6.638 1.00 0.00 H new ATOM 0 HG23 THR B 30 -3.753 -10.458 -4.881 1.00 0.00 H new TER 782 THR B 30