USER MOD reduce.3.24.130724 H: found=0, std=0, add=483, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 483 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 NoAdj-H: A 1 LEU H2 : A 1 LEU N : A 64 TRP C :(NH2R) USER MOD Set 1.1: A 2 THR OG1 : rot 86:sc= 0.0651 USER MOD Set 1.2: A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 1 LEU N :NH3+ -133:sc= 1.48 (180deg=-1.1) USER MOD Single : A 4 ASN : amide:sc= 0.586 K(o=0.59,f=0) USER MOD Single : A 8 SER OG : rot 180:sc= 0.0665 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -174:sc=-0.00109 (180deg=-0.0698) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= -0.144 X(o=-0.14,f=0) USER MOD Single : A 21 THR OG1 : rot -88:sc= 1.04 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.594 USER MOD Single : A 33 THR OG1 : rot 85:sc= 1.17 USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.505 USER MOD Single : A 48 THR OG1 : rot 72:sc= 1.23 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 82:sc= 1.27 USER MOD Single : A 54 LYS NZ :NH3+ 166:sc= -0.0199 (180deg=-0.194) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 6.047 -3.375 0.799 1.00 0.00 N ATOM 2 CA LEU A 1 4.788 -4.093 0.768 1.00 0.00 C ATOM 3 C LEU A 1 5.019 -5.531 0.342 1.00 0.00 C ATOM 4 O LEU A 1 4.688 -6.461 1.068 1.00 0.00 O ATOM 5 CB LEU A 1 3.809 -3.427 -0.206 1.00 0.00 C ATOM 6 CG LEU A 1 3.247 -2.061 0.187 1.00 0.00 C ATOM 7 CD1 LEU A 1 2.488 -1.473 -0.977 1.00 0.00 C ATOM 8 CD2 LEU A 1 2.323 -2.185 1.386 1.00 0.00 C ATOM 0 H1 LEU A 1 6.119 -2.838 1.687 1.00 0.00 H new ATOM 0 H3 LEU A 1 6.092 -2.719 -0.007 1.00 0.00 H new ATOM 0 HA LEU A 1 4.360 -4.073 1.770 1.00 0.00 H new ATOM 0 HB2 LEU A 1 4.310 -3.321 -1.168 1.00 0.00 H new ATOM 0 HB3 LEU A 1 2.970 -4.106 -0.357 1.00 0.00 H new ATOM 0 HG LEU A 1 4.077 -1.407 0.454 1.00 0.00 H new ATOM 0 HD11 LEU A 1 2.088 -0.499 -0.696 1.00 0.00 H new ATOM 0 HD12 LEU A 1 3.159 -1.357 -1.828 1.00 0.00 H new ATOM 0 HD13 LEU A 1 1.668 -2.137 -1.249 1.00 0.00 H new ATOM 0 HD21 LEU A 1 1.934 -1.201 1.649 1.00 0.00 H new ATOM 0 HD22 LEU A 1 1.494 -2.849 1.140 1.00 0.00 H new ATOM 0 HD23 LEU A 1 2.877 -2.594 2.231 1.00 0.00 H new ATOM 20 N THR A 2 5.641 -5.701 -0.809 1.00 0.00 N ATOM 21 CA THR A 2 5.938 -7.014 -1.350 1.00 0.00 C ATOM 22 C THR A 2 6.757 -7.851 -0.366 1.00 0.00 C ATOM 23 O THR A 2 6.422 -9.016 -0.128 1.00 0.00 O ATOM 24 CB THR A 2 6.665 -6.888 -2.726 1.00 0.00 C ATOM 25 OG1 THR A 2 5.774 -6.374 -3.728 1.00 0.00 O ATOM 26 CG2 THR A 2 7.282 -8.201 -3.188 1.00 0.00 C ATOM 0 H THR A 2 5.956 -4.930 -1.397 1.00 0.00 H new ATOM 0 HA THR A 2 4.994 -7.534 -1.510 1.00 0.00 H new ATOM 0 HB THR A 2 7.484 -6.184 -2.582 1.00 0.00 H new ATOM 0 HG1 THR A 2 5.784 -5.394 -3.703 1.00 0.00 H new ATOM 0 HG21 THR A 2 7.774 -8.054 -4.150 1.00 0.00 H new ATOM 0 HG22 THR A 2 8.014 -8.537 -2.454 1.00 0.00 H new ATOM 0 HG23 THR A 2 6.500 -8.954 -3.292 1.00 0.00 H new ATOM 34 N ALA A 3 7.760 -7.240 0.220 1.00 0.00 N ATOM 35 CA ALA A 3 8.661 -7.898 1.153 1.00 0.00 C ATOM 36 C ALA A 3 7.946 -8.369 2.424 1.00 0.00 C ATOM 37 O ALA A 3 7.997 -9.544 2.781 1.00 0.00 O ATOM 38 CB ALA A 3 9.797 -6.954 1.513 1.00 0.00 C ATOM 0 H ALA A 3 7.981 -6.257 0.063 1.00 0.00 H new ATOM 0 HA ALA A 3 9.054 -8.787 0.660 1.00 0.00 H new ATOM 0 HB1 ALA A 3 10.472 -7.447 2.212 1.00 0.00 H new ATOM 0 HB2 ALA A 3 10.344 -6.682 0.610 1.00 0.00 H new ATOM 0 HB3 ALA A 3 9.390 -6.054 1.975 1.00 0.00 H new ATOM 44 N ASN A 4 7.231 -7.468 3.055 1.00 0.00 N ATOM 45 CA ASN A 4 6.628 -7.739 4.361 1.00 0.00 C ATOM 46 C ASN A 4 5.333 -8.502 4.267 1.00 0.00 C ATOM 47 O ASN A 4 5.021 -9.321 5.127 1.00 0.00 O ATOM 48 CB ASN A 4 6.438 -6.452 5.179 1.00 0.00 C ATOM 49 CG ASN A 4 7.740 -5.877 5.700 1.00 0.00 C ATOM 50 OD1 ASN A 4 8.190 -6.224 6.795 1.00 0.00 O ATOM 51 ND2 ASN A 4 8.337 -4.994 4.959 1.00 0.00 N ATOM 0 H ASN A 4 7.046 -6.533 2.692 1.00 0.00 H new ATOM 0 HA ASN A 4 7.337 -8.379 4.885 1.00 0.00 H new ATOM 0 HB2 ASN A 4 5.941 -5.706 4.559 1.00 0.00 H new ATOM 0 HB3 ASN A 4 5.777 -6.659 6.021 1.00 0.00 H new ATOM 0 HD21 ASN A 4 9.206 -4.564 5.277 1.00 0.00 H new ATOM 0 HD22 ASN A 4 7.937 -4.730 4.058 1.00 0.00 H new ATOM 58 N LEU A 5 4.572 -8.249 3.244 1.00 0.00 N ATOM 59 CA LEU A 5 3.310 -8.933 3.098 1.00 0.00 C ATOM 60 C LEU A 5 3.513 -10.223 2.351 1.00 0.00 C ATOM 61 O LEU A 5 2.764 -11.172 2.537 1.00 0.00 O ATOM 62 CB LEU A 5 2.352 -8.066 2.326 1.00 0.00 C ATOM 63 CG LEU A 5 2.109 -6.683 2.893 1.00 0.00 C ATOM 64 CD1 LEU A 5 1.446 -5.843 1.847 1.00 0.00 C ATOM 65 CD2 LEU A 5 1.247 -6.751 4.147 1.00 0.00 C ATOM 0 H LEU A 5 4.794 -7.583 2.504 1.00 0.00 H new ATOM 0 HA LEU A 5 2.904 -9.143 4.087 1.00 0.00 H new ATOM 0 HB2 LEU A 5 2.728 -7.960 1.308 1.00 0.00 H new ATOM 0 HB3 LEU A 5 1.395 -8.584 2.260 1.00 0.00 H new ATOM 0 HG LEU A 5 3.063 -6.237 3.174 1.00 0.00 H new ATOM 0 HD11 LEU A 5 1.265 -4.844 2.243 1.00 0.00 H new ATOM 0 HD12 LEU A 5 2.092 -5.775 0.972 1.00 0.00 H new ATOM 0 HD13 LEU A 5 0.497 -6.298 1.563 1.00 0.00 H new ATOM 0 HD21 LEU A 5 1.088 -5.745 4.534 1.00 0.00 H new ATOM 0 HD22 LEU A 5 0.285 -7.203 3.903 1.00 0.00 H new ATOM 0 HD23 LEU A 5 1.750 -7.355 4.902 1.00 0.00 H new ATOM 77 N GLY A 6 4.536 -10.260 1.509 1.00 0.00 N ATOM 78 CA GLY A 6 4.790 -11.458 0.751 1.00 0.00 C ATOM 79 C GLY A 6 3.828 -11.535 -0.391 1.00 0.00 C ATOM 80 O GLY A 6 3.253 -12.578 -0.674 1.00 0.00 O ATOM 0 H GLY A 6 5.184 -9.491 1.341 1.00 0.00 H new ATOM 0 HA2 GLY A 6 5.814 -11.456 0.379 1.00 0.00 H new ATOM 0 HA3 GLY A 6 4.685 -12.335 1.390 1.00 0.00 H new ATOM 84 N ILE A 7 3.633 -10.413 -1.035 1.00 0.00 N ATOM 85 CA ILE A 7 2.676 -10.322 -2.116 1.00 0.00 C ATOM 86 C ILE A 7 3.392 -10.035 -3.403 1.00 0.00 C ATOM 87 O ILE A 7 4.595 -9.773 -3.397 1.00 0.00 O ATOM 88 CB ILE A 7 1.615 -9.217 -1.883 1.00 0.00 C ATOM 89 CG1 ILE A 7 2.284 -7.837 -1.718 1.00 0.00 C ATOM 90 CG2 ILE A 7 0.728 -9.557 -0.688 1.00 0.00 C ATOM 91 CD1 ILE A 7 1.312 -6.683 -1.648 1.00 0.00 C ATOM 0 H ILE A 7 4.125 -9.543 -0.831 1.00 0.00 H new ATOM 0 HA ILE A 7 2.159 -11.280 -2.161 1.00 0.00 H new ATOM 0 HB ILE A 7 0.975 -9.168 -2.764 1.00 0.00 H new ATOM 0 HG12 ILE A 7 2.888 -7.844 -0.811 1.00 0.00 H new ATOM 0 HG13 ILE A 7 2.965 -7.674 -2.553 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -0.009 -8.766 -0.545 1.00 0.00 H new ATOM 0 HG22 ILE A 7 0.216 -10.501 -0.872 1.00 0.00 H new ATOM 0 HG23 ILE A 7 1.343 -9.647 0.208 1.00 0.00 H new ATOM 0 HD11 ILE A 7 1.863 -5.750 -1.532 1.00 0.00 H new ATOM 0 HD12 ILE A 7 0.725 -6.646 -2.565 1.00 0.00 H new ATOM 0 HD13 ILE A 7 0.646 -6.819 -0.796 1.00 0.00 H new ATOM 103 N SER A 8 2.672 -10.057 -4.482 1.00 0.00 N ATOM 104 CA SER A 8 3.230 -9.778 -5.768 1.00 0.00 C ATOM 105 C SER A 8 3.522 -8.277 -5.898 1.00 0.00 C ATOM 106 O SER A 8 2.948 -7.443 -5.164 1.00 0.00 O ATOM 107 CB SER A 8 2.253 -10.240 -6.856 1.00 0.00 C ATOM 108 OG SER A 8 0.986 -9.607 -6.703 1.00 0.00 O ATOM 0 H SER A 8 1.675 -10.270 -4.495 1.00 0.00 H new ATOM 0 HA SER A 8 4.169 -10.318 -5.886 1.00 0.00 H new ATOM 0 HB2 SER A 8 2.663 -10.010 -7.840 1.00 0.00 H new ATOM 0 HB3 SER A 8 2.132 -11.322 -6.806 1.00 0.00 H new ATOM 0 HG SER A 8 0.379 -9.915 -7.408 1.00 0.00 H new ATOM 114 N SER A 9 4.402 -7.925 -6.800 1.00 0.00 N ATOM 115 CA SER A 9 4.720 -6.546 -7.040 1.00 0.00 C ATOM 116 C SER A 9 3.559 -5.840 -7.760 1.00 0.00 C ATOM 117 O SER A 9 3.431 -4.611 -7.705 1.00 0.00 O ATOM 118 CB SER A 9 6.027 -6.453 -7.810 1.00 0.00 C ATOM 119 OG SER A 9 7.068 -7.075 -7.055 1.00 0.00 O ATOM 0 H SER A 9 4.915 -8.585 -7.385 1.00 0.00 H new ATOM 0 HA SER A 9 4.857 -6.028 -6.091 1.00 0.00 H new ATOM 0 HB2 SER A 9 5.926 -6.940 -8.780 1.00 0.00 H new ATOM 0 HB3 SER A 9 6.276 -5.409 -8.001 1.00 0.00 H new ATOM 0 HG SER A 9 7.911 -7.017 -7.551 1.00 0.00 H new ATOM 125 N TYR A 10 2.699 -6.631 -8.400 1.00 0.00 N ATOM 126 CA TYR A 10 1.510 -6.117 -9.048 1.00 0.00 C ATOM 127 C TYR A 10 0.576 -5.584 -7.979 1.00 0.00 C ATOM 128 O TYR A 10 0.142 -4.429 -8.034 1.00 0.00 O ATOM 129 CB TYR A 10 0.809 -7.233 -9.830 1.00 0.00 C ATOM 130 CG TYR A 10 -0.312 -6.766 -10.735 1.00 0.00 C ATOM 131 CD1 TYR A 10 -1.573 -6.443 -10.239 1.00 0.00 C ATOM 132 CD2 TYR A 10 -0.098 -6.643 -12.090 1.00 0.00 C ATOM 133 CE1 TYR A 10 -2.574 -6.012 -11.079 1.00 0.00 C ATOM 134 CE2 TYR A 10 -1.090 -6.213 -12.932 1.00 0.00 C ATOM 135 CZ TYR A 10 -2.325 -5.899 -12.425 1.00 0.00 C ATOM 136 OH TYR A 10 -3.315 -5.464 -13.271 1.00 0.00 O ATOM 0 H TYR A 10 2.813 -7.641 -8.480 1.00 0.00 H new ATOM 0 HA TYR A 10 1.784 -5.324 -9.744 1.00 0.00 H new ATOM 0 HB2 TYR A 10 1.551 -7.756 -10.434 1.00 0.00 H new ATOM 0 HB3 TYR A 10 0.407 -7.957 -9.121 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -1.768 -6.532 -9.180 1.00 0.00 H new ATOM 0 HD2 TYR A 10 0.871 -6.890 -12.497 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -3.548 -5.765 -10.683 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -0.900 -6.122 -13.991 1.00 0.00 H new ATOM 0 HH TYR A 10 -2.973 -5.440 -14.189 1.00 0.00 H new ATOM 146 N ALA A 11 0.297 -6.432 -6.985 1.00 0.00 N ATOM 147 CA ALA A 11 -0.572 -6.065 -5.881 1.00 0.00 C ATOM 148 C ALA A 11 0.001 -4.887 -5.134 1.00 0.00 C ATOM 149 O ALA A 11 -0.731 -3.997 -4.734 1.00 0.00 O ATOM 150 CB ALA A 11 -0.790 -7.246 -4.952 1.00 0.00 C ATOM 0 H ALA A 11 0.666 -7.381 -6.929 1.00 0.00 H new ATOM 0 HA ALA A 11 -1.542 -5.775 -6.284 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -1.444 -6.948 -4.132 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -1.251 -8.064 -5.505 1.00 0.00 H new ATOM 0 HB3 ALA A 11 0.168 -7.575 -4.550 1.00 0.00 H new ATOM 156 N ALA A 12 1.318 -4.868 -4.996 1.00 0.00 N ATOM 157 CA ALA A 12 2.010 -3.775 -4.339 1.00 0.00 C ATOM 158 C ALA A 12 1.754 -2.454 -5.059 1.00 0.00 C ATOM 159 O ALA A 12 1.410 -1.463 -4.424 1.00 0.00 O ATOM 160 CB ALA A 12 3.495 -4.055 -4.258 1.00 0.00 C ATOM 0 H ALA A 12 1.933 -5.608 -5.335 1.00 0.00 H new ATOM 0 HA ALA A 12 1.618 -3.690 -3.325 1.00 0.00 H new ATOM 0 HB1 ALA A 12 3.996 -3.223 -3.762 1.00 0.00 H new ATOM 0 HB2 ALA A 12 3.662 -4.970 -3.690 1.00 0.00 H new ATOM 0 HB3 ALA A 12 3.898 -4.173 -5.264 1.00 0.00 H new ATOM 166 N LYS A 13 1.876 -2.459 -6.393 1.00 0.00 N ATOM 167 CA LYS A 13 1.654 -1.254 -7.192 1.00 0.00 C ATOM 168 C LYS A 13 0.212 -0.806 -7.055 1.00 0.00 C ATOM 169 O LYS A 13 -0.080 0.395 -6.993 1.00 0.00 O ATOM 170 CB LYS A 13 1.954 -1.501 -8.666 1.00 0.00 C ATOM 171 CG LYS A 13 1.936 -0.215 -9.506 1.00 0.00 C ATOM 172 CD LYS A 13 2.027 -0.478 -11.008 1.00 0.00 C ATOM 173 CE LYS A 13 3.311 -1.186 -11.399 1.00 0.00 C ATOM 174 NZ LYS A 13 4.512 -0.384 -11.107 1.00 0.00 N ATOM 0 H LYS A 13 2.127 -3.284 -6.938 1.00 0.00 H new ATOM 0 HA LYS A 13 2.328 -0.481 -6.822 1.00 0.00 H new ATOM 0 HB2 LYS A 13 2.931 -1.975 -8.758 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.222 -2.201 -9.068 1.00 0.00 H new ATOM 0 HG2 LYS A 13 1.020 0.337 -9.295 1.00 0.00 H new ATOM 0 HG3 LYS A 13 2.768 0.421 -9.204 1.00 0.00 H new ATOM 0 HD2 LYS A 13 1.174 -1.081 -11.320 1.00 0.00 H new ATOM 0 HD3 LYS A 13 1.961 0.469 -11.544 1.00 0.00 H new ATOM 0 HE2 LYS A 13 3.374 -2.135 -10.867 1.00 0.00 H new ATOM 0 HE3 LYS A 13 3.284 -1.418 -12.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 5.352 -0.867 -11.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 4.421 0.552 -11.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 4.611 -0.270 -10.078 1.00 0.00 H new ATOM 188 N LYS A 14 -0.685 -1.778 -7.044 1.00 0.00 N ATOM 189 CA LYS A 14 -2.096 -1.522 -6.832 1.00 0.00 C ATOM 190 C LYS A 14 -2.305 -0.785 -5.527 1.00 0.00 C ATOM 191 O LYS A 14 -2.931 0.277 -5.514 1.00 0.00 O ATOM 192 CB LYS A 14 -2.881 -2.823 -6.824 1.00 0.00 C ATOM 193 CG LYS A 14 -2.950 -3.533 -8.167 1.00 0.00 C ATOM 194 CD LYS A 14 -3.798 -2.775 -9.190 1.00 0.00 C ATOM 195 CE LYS A 14 -5.258 -2.641 -8.748 1.00 0.00 C ATOM 196 NZ LYS A 14 -6.086 -1.941 -9.751 1.00 0.00 N ATOM 0 H LYS A 14 -0.455 -2.762 -7.181 1.00 0.00 H new ATOM 0 HA LYS A 14 -2.458 -0.902 -7.652 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -2.432 -3.497 -6.095 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -3.896 -2.617 -6.485 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -1.941 -3.659 -8.559 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -3.364 -4.531 -8.025 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -3.375 -1.783 -9.345 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -3.757 -3.293 -10.148 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -5.673 -3.633 -8.566 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -5.301 -2.099 -7.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -7.065 -1.875 -9.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -5.708 -0.985 -9.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -6.068 -2.470 -10.646 1.00 0.00 H new ATOM 210 N VAL A 15 -1.751 -1.342 -4.443 1.00 0.00 N ATOM 211 CA VAL A 15 -1.816 -0.723 -3.111 1.00 0.00 C ATOM 212 C VAL A 15 -1.267 0.698 -3.168 1.00 0.00 C ATOM 213 O VAL A 15 -1.918 1.627 -2.700 1.00 0.00 O ATOM 214 CB VAL A 15 -1.007 -1.514 -2.039 1.00 0.00 C ATOM 215 CG1 VAL A 15 -1.134 -0.868 -0.662 1.00 0.00 C ATOM 216 CG2 VAL A 15 -1.432 -2.963 -1.978 1.00 0.00 C ATOM 0 H VAL A 15 -1.248 -2.229 -4.462 1.00 0.00 H new ATOM 0 HA VAL A 15 -2.866 -0.727 -2.820 1.00 0.00 H new ATOM 0 HB VAL A 15 0.040 -1.481 -2.341 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -0.559 -1.443 0.064 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -0.752 0.152 -0.702 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -2.182 -0.851 -0.363 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -0.846 -3.482 -1.220 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -2.490 -3.021 -1.722 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -1.267 -3.432 -2.948 1.00 0.00 H new ATOM 226 N ILE A 16 -0.086 0.851 -3.780 1.00 0.00 N ATOM 227 CA ILE A 16 0.580 2.149 -3.915 1.00 0.00 C ATOM 228 C ILE A 16 -0.321 3.162 -4.575 1.00 0.00 C ATOM 229 O ILE A 16 -0.501 4.251 -4.063 1.00 0.00 O ATOM 230 CB ILE A 16 1.908 2.055 -4.717 1.00 0.00 C ATOM 231 CG1 ILE A 16 2.930 1.193 -3.976 1.00 0.00 C ATOM 232 CG2 ILE A 16 2.488 3.447 -5.018 1.00 0.00 C ATOM 233 CD1 ILE A 16 3.329 1.723 -2.614 1.00 0.00 C ATOM 0 H ILE A 16 0.433 0.077 -4.195 1.00 0.00 H new ATOM 0 HA ILE A 16 0.813 2.472 -2.900 1.00 0.00 H new ATOM 0 HB ILE A 16 1.681 1.579 -5.671 1.00 0.00 H new ATOM 0 HG12 ILE A 16 2.521 0.190 -3.856 1.00 0.00 H new ATOM 0 HG13 ILE A 16 3.824 1.101 -4.592 1.00 0.00 H new ATOM 0 HG21 ILE A 16 3.416 3.341 -5.580 1.00 0.00 H new ATOM 0 HG22 ILE A 16 1.771 4.020 -5.606 1.00 0.00 H new ATOM 0 HG23 ILE A 16 2.688 3.968 -4.082 1.00 0.00 H new ATOM 0 HD11 ILE A 16 4.056 1.050 -2.160 1.00 0.00 H new ATOM 0 HD12 ILE A 16 3.771 2.713 -2.724 1.00 0.00 H new ATOM 0 HD13 ILE A 16 2.447 1.788 -1.976 1.00 0.00 H new ATOM 245 N ASP A 17 -0.903 2.790 -5.688 1.00 0.00 N ATOM 246 CA ASP A 17 -1.761 3.697 -6.425 1.00 0.00 C ATOM 247 C ASP A 17 -2.983 4.077 -5.600 1.00 0.00 C ATOM 248 O ASP A 17 -3.371 5.231 -5.561 1.00 0.00 O ATOM 249 CB ASP A 17 -2.177 3.101 -7.770 1.00 0.00 C ATOM 250 CG ASP A 17 -2.981 4.070 -8.615 1.00 0.00 C ATOM 251 OD1 ASP A 17 -2.373 4.975 -9.242 1.00 0.00 O ATOM 252 OD2 ASP A 17 -4.226 3.944 -8.685 1.00 0.00 O ATOM 0 H ASP A 17 -0.801 1.866 -6.107 1.00 0.00 H new ATOM 0 HA ASP A 17 -1.190 4.603 -6.627 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -1.286 2.798 -8.320 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -2.766 2.200 -7.597 1.00 0.00 H new ATOM 257 N ILE A 18 -3.532 3.123 -4.882 1.00 0.00 N ATOM 258 CA ILE A 18 -4.720 3.373 -4.069 1.00 0.00 C ATOM 259 C ILE A 18 -4.379 4.264 -2.868 1.00 0.00 C ATOM 260 O ILE A 18 -5.024 5.280 -2.652 1.00 0.00 O ATOM 261 CB ILE A 18 -5.376 2.067 -3.562 1.00 0.00 C ATOM 262 CG1 ILE A 18 -5.755 1.168 -4.731 1.00 0.00 C ATOM 263 CG2 ILE A 18 -6.616 2.392 -2.735 1.00 0.00 C ATOM 264 CD1 ILE A 18 -6.189 -0.222 -4.332 1.00 0.00 C ATOM 0 H ILE A 18 -3.182 2.166 -4.839 1.00 0.00 H new ATOM 0 HA ILE A 18 -5.435 3.881 -4.717 1.00 0.00 H new ATOM 0 HB ILE A 18 -4.656 1.540 -2.937 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -6.562 1.641 -5.291 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -4.902 1.090 -5.405 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -7.071 1.466 -2.382 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -6.333 3.006 -1.880 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -7.332 2.936 -3.351 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -6.441 -0.795 -5.225 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -5.377 -0.718 -3.800 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -7.063 -0.158 -3.683 1.00 0.00 H new ATOM 276 N ILE A 19 -3.357 3.890 -2.103 1.00 0.00 N ATOM 277 CA ILE A 19 -2.945 4.692 -0.935 1.00 0.00 C ATOM 278 C ILE A 19 -2.483 6.095 -1.364 1.00 0.00 C ATOM 279 O ILE A 19 -2.520 7.029 -0.582 1.00 0.00 O ATOM 280 CB ILE A 19 -1.805 4.024 -0.092 1.00 0.00 C ATOM 281 CG1 ILE A 19 -0.521 3.895 -0.925 1.00 0.00 C ATOM 282 CG2 ILE A 19 -2.251 2.666 0.444 1.00 0.00 C ATOM 283 CD1 ILE A 19 0.670 3.356 -0.178 1.00 0.00 C ATOM 0 H ILE A 19 -2.800 3.050 -2.260 1.00 0.00 H new ATOM 0 HA ILE A 19 -3.831 4.760 -0.304 1.00 0.00 H new ATOM 0 HB ILE A 19 -1.590 4.666 0.763 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.722 3.245 -1.776 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -0.266 4.876 -1.326 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.444 2.221 1.026 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -3.127 2.796 1.079 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -2.501 2.010 -0.390 1.00 0.00 H new ATOM 0 HD11 ILE A 19 1.527 3.302 -0.850 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.905 4.016 0.657 1.00 0.00 H new ATOM 0 HD13 ILE A 19 0.442 2.359 0.200 1.00 0.00 H new ATOM 295 N ASN A 20 -2.053 6.219 -2.608 1.00 0.00 N ATOM 296 CA ASN A 20 -1.570 7.484 -3.143 1.00 0.00 C ATOM 297 C ASN A 20 -2.750 8.357 -3.579 1.00 0.00 C ATOM 298 O ASN A 20 -2.676 9.581 -3.540 1.00 0.00 O ATOM 299 CB ASN A 20 -0.666 7.210 -4.355 1.00 0.00 C ATOM 300 CG ASN A 20 0.289 8.324 -4.687 1.00 0.00 C ATOM 301 OD1 ASN A 20 -0.033 9.268 -5.422 1.00 0.00 O ATOM 302 ND2 ASN A 20 1.492 8.172 -4.228 1.00 0.00 N ATOM 0 H ASN A 20 -2.028 5.448 -3.276 1.00 0.00 H new ATOM 0 HA ASN A 20 -1.007 8.007 -2.370 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -0.093 6.302 -4.167 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -1.294 7.016 -5.224 1.00 0.00 H new ATOM 0 HD21 ASN A 20 2.219 8.846 -4.469 1.00 0.00 H new ATOM 0 HD22 ASN A 20 1.712 7.379 -3.625 1.00 0.00 H new ATOM 309 N THR A 21 -3.840 7.718 -3.967 1.00 0.00 N ATOM 310 CA THR A 21 -5.004 8.419 -4.480 1.00 0.00 C ATOM 311 C THR A 21 -6.054 8.691 -3.396 1.00 0.00 C ATOM 312 O THR A 21 -6.613 9.800 -3.311 1.00 0.00 O ATOM 313 CB THR A 21 -5.658 7.618 -5.637 1.00 0.00 C ATOM 314 OG1 THR A 21 -5.856 6.260 -5.230 1.00 0.00 O ATOM 315 CG2 THR A 21 -4.783 7.607 -6.857 1.00 0.00 C ATOM 0 H THR A 21 -3.943 6.704 -3.936 1.00 0.00 H new ATOM 0 HA THR A 21 -4.647 9.381 -4.848 1.00 0.00 H new ATOM 0 HB THR A 21 -6.606 8.100 -5.875 1.00 0.00 H new ATOM 0 HG1 THR A 21 -5.049 5.739 -5.426 1.00 0.00 H new ATOM 0 HG21 THR A 21 -5.270 7.038 -7.649 1.00 0.00 H new ATOM 0 HG22 THR A 21 -4.617 8.630 -7.195 1.00 0.00 H new ATOM 0 HG23 THR A 21 -3.826 7.145 -6.614 1.00 0.00 H new ATOM 323 N GLY A 22 -6.310 7.688 -2.583 1.00 0.00 N ATOM 324 CA GLY A 22 -7.334 7.751 -1.574 1.00 0.00 C ATOM 325 C GLY A 22 -7.025 8.706 -0.458 1.00 0.00 C ATOM 326 O GLY A 22 -5.866 8.925 -0.108 1.00 0.00 O ATOM 0 H GLY A 22 -5.807 6.801 -2.608 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -8.274 8.044 -2.041 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -7.482 6.755 -1.157 1.00 0.00 H new ATOM 330 N SER A 23 -8.058 9.257 0.105 1.00 0.00 N ATOM 331 CA SER A 23 -7.945 10.218 1.160 1.00 0.00 C ATOM 332 C SER A 23 -8.161 9.562 2.525 1.00 0.00 C ATOM 333 O SER A 23 -7.202 9.286 3.253 1.00 0.00 O ATOM 334 CB SER A 23 -8.969 11.312 0.923 1.00 0.00 C ATOM 335 OG SER A 23 -8.778 11.902 -0.354 1.00 0.00 O ATOM 0 H SER A 23 -9.020 9.047 -0.161 1.00 0.00 H new ATOM 0 HA SER A 23 -6.941 10.643 1.161 1.00 0.00 H new ATOM 0 HB2 SER A 23 -9.975 10.898 0.992 1.00 0.00 H new ATOM 0 HB3 SER A 23 -8.883 12.073 1.699 1.00 0.00 H new ATOM 0 HG SER A 23 -9.447 12.605 -0.493 1.00 0.00 H new ATOM 341 N ALA A 24 -9.412 9.291 2.845 1.00 0.00 N ATOM 342 CA ALA A 24 -9.778 8.661 4.101 1.00 0.00 C ATOM 343 C ALA A 24 -9.274 7.242 4.148 1.00 0.00 C ATOM 344 O ALA A 24 -9.327 6.524 3.136 1.00 0.00 O ATOM 345 CB ALA A 24 -11.278 8.670 4.284 1.00 0.00 C ATOM 0 H ALA A 24 -10.206 9.502 2.240 1.00 0.00 H new ATOM 0 HA ALA A 24 -9.318 9.230 4.909 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -11.532 8.193 5.231 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -11.638 9.699 4.288 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -11.748 8.124 3.466 1.00 0.00 H new ATOM 351 N VAL A 25 -8.814 6.829 5.316 1.00 0.00 N ATOM 352 CA VAL A 25 -8.270 5.491 5.513 1.00 0.00 C ATOM 353 C VAL A 25 -9.303 4.434 5.137 1.00 0.00 C ATOM 354 O VAL A 25 -8.998 3.510 4.400 1.00 0.00 O ATOM 355 CB VAL A 25 -7.791 5.264 6.977 1.00 0.00 C ATOM 356 CG1 VAL A 25 -7.176 3.882 7.148 1.00 0.00 C ATOM 357 CG2 VAL A 25 -6.798 6.334 7.398 1.00 0.00 C ATOM 0 H VAL A 25 -8.806 7.409 6.155 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.402 5.399 4.860 1.00 0.00 H new ATOM 0 HB VAL A 25 -8.668 5.332 7.621 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -6.851 3.754 8.181 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -7.917 3.121 6.903 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -6.319 3.780 6.483 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -6.480 6.151 8.424 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -5.931 6.305 6.739 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -7.270 7.314 7.333 1.00 0.00 H new ATOM 367 N ALA A 26 -10.531 4.634 5.587 1.00 0.00 N ATOM 368 CA ALA A 26 -11.638 3.712 5.318 1.00 0.00 C ATOM 369 C ALA A 26 -11.912 3.566 3.820 1.00 0.00 C ATOM 370 O ALA A 26 -12.311 2.490 3.350 1.00 0.00 O ATOM 371 CB ALA A 26 -12.887 4.172 6.038 1.00 0.00 C ATOM 0 H ALA A 26 -10.796 5.441 6.152 1.00 0.00 H new ATOM 0 HA ALA A 26 -11.346 2.731 5.693 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -13.703 3.479 5.831 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -12.699 4.200 7.111 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -13.161 5.169 5.691 1.00 0.00 H new ATOM 377 N THR A 27 -11.674 4.625 3.075 1.00 0.00 N ATOM 378 CA THR A 27 -11.877 4.607 1.647 1.00 0.00 C ATOM 379 C THR A 27 -10.803 3.733 1.005 1.00 0.00 C ATOM 380 O THR A 27 -11.089 2.856 0.176 1.00 0.00 O ATOM 381 CB THR A 27 -11.789 6.042 1.085 1.00 0.00 C ATOM 382 OG1 THR A 27 -12.727 6.886 1.778 1.00 0.00 O ATOM 383 CG2 THR A 27 -12.080 6.066 -0.409 1.00 0.00 C ATOM 0 H THR A 27 -11.337 5.515 3.442 1.00 0.00 H new ATOM 0 HA THR A 27 -12.864 4.202 1.422 1.00 0.00 H new ATOM 0 HB THR A 27 -10.775 6.411 1.238 1.00 0.00 H new ATOM 0 HG1 THR A 27 -12.671 7.798 1.423 1.00 0.00 H new ATOM 0 HG21 THR A 27 -12.011 7.090 -0.777 1.00 0.00 H new ATOM 0 HG22 THR A 27 -11.354 5.443 -0.931 1.00 0.00 H new ATOM 0 HG23 THR A 27 -13.084 5.683 -0.590 1.00 0.00 H new ATOM 391 N ILE A 28 -9.584 3.942 1.452 1.00 0.00 N ATOM 392 CA ILE A 28 -8.440 3.228 0.961 1.00 0.00 C ATOM 393 C ILE A 28 -8.572 1.758 1.302 1.00 0.00 C ATOM 394 O ILE A 28 -8.471 0.921 0.422 1.00 0.00 O ATOM 395 CB ILE A 28 -7.149 3.834 1.558 1.00 0.00 C ATOM 396 CG1 ILE A 28 -7.057 5.307 1.167 1.00 0.00 C ATOM 397 CG2 ILE A 28 -5.915 3.084 1.088 1.00 0.00 C ATOM 398 CD1 ILE A 28 -5.990 6.081 1.894 1.00 0.00 C ATOM 0 H ILE A 28 -9.363 4.624 2.177 1.00 0.00 H new ATOM 0 HA ILE A 28 -8.384 3.320 -0.124 1.00 0.00 H new ATOM 0 HB ILE A 28 -7.192 3.744 2.643 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -6.870 5.374 0.095 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -8.021 5.780 1.353 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -5.025 3.536 1.526 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -5.983 2.041 1.399 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -5.850 3.135 0.001 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -5.996 7.117 1.554 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -6.184 6.050 2.966 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -5.016 5.638 1.689 1.00 0.00 H new ATOM 410 N ILE A 29 -8.859 1.468 2.567 1.00 0.00 N ATOM 411 CA ILE A 29 -9.066 0.090 3.049 1.00 0.00 C ATOM 412 C ILE A 29 -10.033 -0.683 2.152 1.00 0.00 C ATOM 413 O ILE A 29 -9.746 -1.817 1.765 1.00 0.00 O ATOM 414 CB ILE A 29 -9.591 0.055 4.524 1.00 0.00 C ATOM 415 CG1 ILE A 29 -8.559 0.639 5.473 1.00 0.00 C ATOM 416 CG2 ILE A 29 -9.952 -1.369 4.968 1.00 0.00 C ATOM 417 CD1 ILE A 29 -7.277 -0.143 5.511 1.00 0.00 C ATOM 0 H ILE A 29 -8.957 2.176 3.294 1.00 0.00 H new ATOM 0 HA ILE A 29 -8.088 -0.391 3.016 1.00 0.00 H new ATOM 0 HB ILE A 29 -10.497 0.660 4.556 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -8.342 1.665 5.176 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -8.981 0.680 6.477 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -10.312 -1.349 5.997 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -10.732 -1.766 4.318 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -9.069 -2.005 4.905 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -6.584 0.328 6.208 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -7.482 -1.163 5.837 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -6.833 -0.163 4.516 1.00 0.00 H new ATOM 429 N ALA A 30 -11.132 -0.050 1.775 1.00 0.00 N ATOM 430 CA ALA A 30 -12.143 -0.696 0.960 1.00 0.00 C ATOM 431 C ALA A 30 -11.601 -1.037 -0.418 1.00 0.00 C ATOM 432 O ALA A 30 -11.852 -2.130 -0.953 1.00 0.00 O ATOM 433 CB ALA A 30 -13.378 0.182 0.845 1.00 0.00 C ATOM 0 H ALA A 30 -11.346 0.916 2.023 1.00 0.00 H new ATOM 0 HA ALA A 30 -12.424 -1.628 1.451 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -14.125 -0.320 0.230 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -13.789 0.364 1.838 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -13.107 1.132 0.384 1.00 0.00 H new ATOM 439 N LEU A 31 -10.827 -0.138 -0.974 1.00 0.00 N ATOM 440 CA LEU A 31 -10.297 -0.343 -2.301 1.00 0.00 C ATOM 441 C LEU A 31 -9.146 -1.350 -2.286 1.00 0.00 C ATOM 442 O LEU A 31 -9.108 -2.294 -3.099 1.00 0.00 O ATOM 443 CB LEU A 31 -9.868 0.986 -2.903 1.00 0.00 C ATOM 444 CG LEU A 31 -10.976 2.037 -3.059 1.00 0.00 C ATOM 445 CD1 LEU A 31 -10.415 3.328 -3.611 1.00 0.00 C ATOM 446 CD2 LEU A 31 -12.092 1.526 -3.952 1.00 0.00 C ATOM 0 H LEU A 31 -10.551 0.739 -0.532 1.00 0.00 H new ATOM 0 HA LEU A 31 -11.083 -0.764 -2.929 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -9.079 1.407 -2.281 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -9.433 0.796 -3.884 1.00 0.00 H new ATOM 0 HG LEU A 31 -11.391 2.231 -2.070 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -11.217 4.059 -3.714 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -9.656 3.715 -2.931 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -9.967 3.142 -4.587 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -12.863 2.291 -4.045 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -11.691 1.293 -4.939 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -12.525 0.626 -3.515 1.00 0.00 H new ATOM 458 N VAL A 32 -8.245 -1.207 -1.328 1.00 0.00 N ATOM 459 CA VAL A 32 -7.099 -2.090 -1.264 1.00 0.00 C ATOM 460 C VAL A 32 -7.558 -3.510 -0.943 1.00 0.00 C ATOM 461 O VAL A 32 -7.050 -4.468 -1.505 1.00 0.00 O ATOM 462 CB VAL A 32 -6.018 -1.659 -0.238 1.00 0.00 C ATOM 463 CG1 VAL A 32 -4.732 -2.364 -0.518 1.00 0.00 C ATOM 464 CG2 VAL A 32 -5.770 -0.185 -0.239 1.00 0.00 C ATOM 0 H VAL A 32 -8.285 -0.498 -0.596 1.00 0.00 H new ATOM 0 HA VAL A 32 -6.630 -2.039 -2.246 1.00 0.00 H new ATOM 0 HB VAL A 32 -6.401 -1.932 0.745 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -3.981 -2.053 0.208 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -4.884 -3.441 -0.445 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -4.391 -2.113 -1.522 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -5.004 0.056 0.499 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -5.432 0.126 -1.227 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -6.692 0.339 0.011 1.00 0.00 H new ATOM 474 N THR A 33 -8.562 -3.634 -0.080 1.00 0.00 N ATOM 475 CA THR A 33 -9.113 -4.934 0.267 1.00 0.00 C ATOM 476 C THR A 33 -9.775 -5.587 -0.956 1.00 0.00 C ATOM 477 O THR A 33 -9.693 -6.806 -1.143 1.00 0.00 O ATOM 478 CB THR A 33 -10.096 -4.820 1.459 1.00 0.00 C ATOM 479 OG1 THR A 33 -9.374 -4.341 2.615 1.00 0.00 O ATOM 480 CG2 THR A 33 -10.761 -6.148 1.785 1.00 0.00 C ATOM 0 H THR A 33 -9.009 -2.847 0.391 1.00 0.00 H new ATOM 0 HA THR A 33 -8.295 -5.581 0.583 1.00 0.00 H new ATOM 0 HB THR A 33 -10.886 -4.122 1.181 1.00 0.00 H new ATOM 0 HG1 THR A 33 -9.332 -3.362 2.592 1.00 0.00 H new ATOM 0 HG21 THR A 33 -11.441 -6.018 2.627 1.00 0.00 H new ATOM 0 HG22 THR A 33 -11.321 -6.497 0.917 1.00 0.00 H new ATOM 0 HG23 THR A 33 -9.999 -6.883 2.045 1.00 0.00 H new ATOM 488 N ALA A 34 -10.352 -4.763 -1.829 1.00 0.00 N ATOM 489 CA ALA A 34 -10.964 -5.257 -3.056 1.00 0.00 C ATOM 490 C ALA A 34 -9.892 -5.827 -3.985 1.00 0.00 C ATOM 491 O ALA A 34 -10.164 -6.688 -4.831 1.00 0.00 O ATOM 492 CB ALA A 34 -11.737 -4.152 -3.757 1.00 0.00 C ATOM 0 H ALA A 34 -10.407 -3.752 -1.707 1.00 0.00 H new ATOM 0 HA ALA A 34 -11.665 -6.050 -2.796 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -12.185 -4.544 -4.670 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -12.522 -3.782 -3.097 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -11.059 -3.336 -4.007 1.00 0.00 H new ATOM 498 N VAL A 35 -8.676 -5.351 -3.822 1.00 0.00 N ATOM 499 CA VAL A 35 -7.574 -5.832 -4.610 1.00 0.00 C ATOM 500 C VAL A 35 -6.856 -7.010 -3.938 1.00 0.00 C ATOM 501 O VAL A 35 -6.769 -8.101 -4.504 1.00 0.00 O ATOM 502 CB VAL A 35 -6.550 -4.706 -4.889 1.00 0.00 C ATOM 503 CG1 VAL A 35 -5.369 -5.229 -5.697 1.00 0.00 C ATOM 504 CG2 VAL A 35 -7.213 -3.557 -5.617 1.00 0.00 C ATOM 0 H VAL A 35 -8.430 -4.628 -3.146 1.00 0.00 H new ATOM 0 HA VAL A 35 -7.999 -6.177 -5.553 1.00 0.00 H new ATOM 0 HB VAL A 35 -6.175 -4.347 -3.931 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -4.665 -4.417 -5.879 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -4.871 -6.024 -5.141 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -5.725 -5.621 -6.650 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -6.479 -2.774 -5.805 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -7.617 -3.912 -6.565 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -8.022 -3.157 -5.005 1.00 0.00 H new ATOM 514 N VAL A 36 -6.396 -6.804 -2.723 1.00 0.00 N ATOM 515 CA VAL A 36 -5.506 -7.780 -2.063 1.00 0.00 C ATOM 516 C VAL A 36 -6.239 -8.892 -1.319 1.00 0.00 C ATOM 517 O VAL A 36 -5.610 -9.818 -0.808 1.00 0.00 O ATOM 518 CB VAL A 36 -4.489 -7.108 -1.102 1.00 0.00 C ATOM 519 CG1 VAL A 36 -3.627 -6.096 -1.839 1.00 0.00 C ATOM 520 CG2 VAL A 36 -5.184 -6.469 0.098 1.00 0.00 C ATOM 0 H VAL A 36 -6.612 -5.980 -2.162 1.00 0.00 H new ATOM 0 HA VAL A 36 -4.968 -8.239 -2.892 1.00 0.00 H new ATOM 0 HB VAL A 36 -3.835 -7.892 -0.719 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -2.924 -5.641 -1.142 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -3.076 -6.598 -2.634 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -4.262 -5.323 -2.270 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -4.439 -6.009 0.747 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -5.883 -5.708 -0.249 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -5.727 -7.234 0.654 1.00 0.00 H new ATOM 551 N LEU A 40 -4.644 -8.039 4.935 1.00 0.00 N ATOM 552 CA LEU A 40 -3.278 -7.702 4.672 1.00 0.00 C ATOM 553 C LEU A 40 -3.076 -6.212 4.887 1.00 0.00 C ATOM 554 O LEU A 40 -2.452 -5.778 5.874 1.00 0.00 O ATOM 555 CB LEU A 40 -2.918 -8.096 3.233 1.00 0.00 C ATOM 556 CG LEU A 40 -3.104 -9.581 2.869 1.00 0.00 C ATOM 557 CD1 LEU A 40 -2.729 -9.831 1.420 1.00 0.00 C ATOM 558 CD2 LEU A 40 -2.289 -10.476 3.789 1.00 0.00 C ATOM 0 HA LEU A 40 -2.625 -8.246 5.354 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -3.523 -7.498 2.552 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.877 -7.827 3.054 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.158 -9.827 3.001 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.868 -10.886 1.185 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.364 -9.228 0.771 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.685 -9.559 1.262 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.439 -11.519 3.509 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.232 -10.225 3.699 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.610 -10.327 4.820 1.00 0.00 H new ATOM 570 N ILE A 41 -3.637 -5.418 4.006 1.00 0.00 N ATOM 571 CA ILE A 41 -3.504 -4.008 4.131 1.00 0.00 C ATOM 572 C ILE A 41 -4.547 -3.514 5.089 1.00 0.00 C ATOM 573 O ILE A 41 -5.725 -3.375 4.737 1.00 0.00 O ATOM 574 CB ILE A 41 -3.629 -3.262 2.784 1.00 0.00 C ATOM 575 CG1 ILE A 41 -2.701 -3.899 1.732 1.00 0.00 C ATOM 576 CG2 ILE A 41 -3.278 -1.784 2.986 1.00 0.00 C ATOM 577 CD1 ILE A 41 -1.246 -3.834 2.064 1.00 0.00 C ATOM 0 H ILE A 41 -4.184 -5.733 3.204 1.00 0.00 H new ATOM 0 HA ILE A 41 -2.500 -3.801 4.502 1.00 0.00 H new ATOM 0 HB ILE A 41 -4.655 -3.339 2.423 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -2.984 -4.944 1.602 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -2.864 -3.403 0.775 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -3.366 -1.256 2.036 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -3.963 -1.343 3.711 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -2.256 -1.700 3.355 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -0.670 -4.306 1.268 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -0.942 -2.792 2.163 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -1.063 -4.356 3.003 1.00 0.00 H new ATOM 589 N THR A 42 -4.134 -3.340 6.290 1.00 0.00 N ATOM 590 CA THR A 42 -4.974 -2.830 7.316 1.00 0.00 C ATOM 591 C THR A 42 -4.736 -1.340 7.428 1.00 0.00 C ATOM 592 O THR A 42 -3.878 -0.789 6.713 1.00 0.00 O ATOM 593 CB THR A 42 -4.601 -3.496 8.645 1.00 0.00 C ATOM 594 OG1 THR A 42 -3.178 -3.360 8.839 1.00 0.00 O ATOM 595 CG2 THR A 42 -4.982 -4.968 8.644 1.00 0.00 C ATOM 0 H THR A 42 -3.184 -3.551 6.596 1.00 0.00 H new ATOM 0 HA THR A 42 -6.020 -3.032 7.085 1.00 0.00 H new ATOM 0 HB THR A 42 -5.145 -3.011 9.455 1.00 0.00 H new ATOM 0 HG1 THR A 42 -2.922 -3.780 9.687 1.00 0.00 H new ATOM 0 HG21 THR A 42 -4.706 -5.416 9.599 1.00 0.00 H new ATOM 0 HG22 THR A 42 -6.057 -5.065 8.495 1.00 0.00 H new ATOM 0 HG23 THR A 42 -4.456 -5.479 7.838 1.00 0.00 H new ATOM 603 N ALA A 43 -5.475 -0.683 8.296 1.00 0.00 N ATOM 604 CA ALA A 43 -5.327 0.746 8.533 1.00 0.00 C ATOM 605 C ALA A 43 -3.907 1.078 8.963 1.00 0.00 C ATOM 606 O ALA A 43 -3.371 2.144 8.627 1.00 0.00 O ATOM 607 CB ALA A 43 -6.310 1.194 9.583 1.00 0.00 C ATOM 0 H ALA A 43 -6.200 -1.123 8.862 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.532 1.276 7.603 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -6.195 2.264 9.756 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -7.325 0.989 9.242 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -6.123 0.654 10.511 1.00 0.00 H new ATOM 613 N GLY A 44 -3.306 0.159 9.692 1.00 0.00 N ATOM 614 CA GLY A 44 -1.944 0.302 10.117 1.00 0.00 C ATOM 615 C GLY A 44 -0.990 0.253 8.951 1.00 0.00 C ATOM 616 O GLY A 44 0.013 0.969 8.932 1.00 0.00 O ATOM 0 H GLY A 44 -3.754 -0.703 10.002 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -1.825 1.248 10.646 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -1.697 -0.491 10.823 1.00 0.00 H new ATOM 620 N ILE A 45 -1.304 -0.560 7.951 1.00 0.00 N ATOM 621 CA ILE A 45 -0.451 -0.660 6.795 1.00 0.00 C ATOM 622 C ILE A 45 -0.625 0.577 5.934 1.00 0.00 C ATOM 623 O ILE A 45 0.350 1.152 5.493 1.00 0.00 O ATOM 624 CB ILE A 45 -0.714 -1.945 5.964 1.00 0.00 C ATOM 625 CG1 ILE A 45 -0.489 -3.204 6.818 1.00 0.00 C ATOM 626 CG2 ILE A 45 0.185 -1.983 4.730 1.00 0.00 C ATOM 627 CD1 ILE A 45 0.926 -3.365 7.351 1.00 0.00 C ATOM 0 H ILE A 45 -2.136 -1.150 7.925 1.00 0.00 H new ATOM 0 HA ILE A 45 0.578 -0.727 7.147 1.00 0.00 H new ATOM 0 HB ILE A 45 -1.754 -1.927 5.639 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -1.180 -3.183 7.661 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -0.740 -4.081 6.221 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -0.015 -2.891 4.162 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -0.017 -1.113 4.106 1.00 0.00 H new ATOM 0 HG23 ILE A 45 1.230 -1.972 5.041 1.00 0.00 H new ATOM 0 HD11 ILE A 45 0.991 -4.279 7.941 1.00 0.00 H new ATOM 0 HD12 ILE A 45 1.625 -3.421 6.516 1.00 0.00 H new ATOM 0 HD13 ILE A 45 1.178 -2.510 7.978 1.00 0.00 H new ATOM 639 N VAL A 46 -1.874 1.002 5.753 1.00 0.00 N ATOM 640 CA VAL A 46 -2.196 2.209 4.979 1.00 0.00 C ATOM 641 C VAL A 46 -1.447 3.426 5.539 1.00 0.00 C ATOM 642 O VAL A 46 -0.814 4.178 4.786 1.00 0.00 O ATOM 643 CB VAL A 46 -3.739 2.475 4.965 1.00 0.00 C ATOM 644 CG1 VAL A 46 -4.094 3.791 4.289 1.00 0.00 C ATOM 645 CG2 VAL A 46 -4.447 1.351 4.259 1.00 0.00 C ATOM 0 H VAL A 46 -2.691 0.525 6.135 1.00 0.00 H new ATOM 0 HA VAL A 46 -1.872 2.044 3.951 1.00 0.00 H new ATOM 0 HB VAL A 46 -4.062 2.535 6.004 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -5.175 3.928 4.305 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.616 4.614 4.820 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -3.746 3.775 3.256 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -5.520 1.543 4.253 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -4.086 1.281 3.233 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -4.249 0.413 4.778 1.00 0.00 H new ATOM 655 N ALA A 47 -1.483 3.577 6.858 1.00 0.00 N ATOM 656 CA ALA A 47 -0.791 4.668 7.532 1.00 0.00 C ATOM 657 C ALA A 47 0.719 4.567 7.313 1.00 0.00 C ATOM 658 O ALA A 47 1.364 5.543 6.905 1.00 0.00 O ATOM 659 CB ALA A 47 -1.116 4.662 9.018 1.00 0.00 C ATOM 0 H ALA A 47 -1.989 2.952 7.486 1.00 0.00 H new ATOM 0 HA ALA A 47 -1.135 5.610 7.105 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -0.592 5.482 9.508 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -2.190 4.784 9.156 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -0.799 3.716 9.456 1.00 0.00 H new ATOM 665 N THR A 48 1.264 3.377 7.545 1.00 0.00 N ATOM 666 CA THR A 48 2.686 3.128 7.385 1.00 0.00 C ATOM 667 C THR A 48 3.132 3.376 5.938 1.00 0.00 C ATOM 668 O THR A 48 4.051 4.145 5.695 1.00 0.00 O ATOM 669 CB THR A 48 3.050 1.677 7.806 1.00 0.00 C ATOM 670 OG1 THR A 48 2.630 1.454 9.167 1.00 0.00 O ATOM 671 CG2 THR A 48 4.555 1.440 7.695 1.00 0.00 C ATOM 0 H THR A 48 0.731 2.562 7.848 1.00 0.00 H new ATOM 0 HA THR A 48 3.213 3.825 8.037 1.00 0.00 H new ATOM 0 HB THR A 48 2.539 0.983 7.138 1.00 0.00 H new ATOM 0 HG1 THR A 48 1.652 1.394 9.202 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.785 0.418 7.995 1.00 0.00 H new ATOM 0 HG22 THR A 48 4.873 1.596 6.664 1.00 0.00 H new ATOM 0 HG23 THR A 48 5.082 2.137 8.347 1.00 0.00 H new ATOM 679 N ALA A 49 2.428 2.771 4.997 1.00 0.00 N ATOM 680 CA ALA A 49 2.759 2.851 3.589 1.00 0.00 C ATOM 681 C ALA A 49 2.746 4.289 3.088 1.00 0.00 C ATOM 682 O ALA A 49 3.676 4.715 2.408 1.00 0.00 O ATOM 683 CB ALA A 49 1.828 1.970 2.774 1.00 0.00 C ATOM 0 H ALA A 49 1.602 2.205 5.193 1.00 0.00 H new ATOM 0 HA ALA A 49 3.776 2.481 3.462 1.00 0.00 H new ATOM 0 HB1 ALA A 49 2.090 2.042 1.719 1.00 0.00 H new ATOM 0 HB2 ALA A 49 1.926 0.935 3.103 1.00 0.00 H new ATOM 0 HB3 ALA A 49 0.799 2.300 2.915 1.00 0.00 H new ATOM 689 N LYS A 50 1.729 5.058 3.473 1.00 0.00 N ATOM 690 CA LYS A 50 1.665 6.457 3.069 1.00 0.00 C ATOM 691 C LYS A 50 2.800 7.268 3.675 1.00 0.00 C ATOM 692 O LYS A 50 3.296 8.224 3.067 1.00 0.00 O ATOM 693 CB LYS A 50 0.332 7.112 3.397 1.00 0.00 C ATOM 694 CG LYS A 50 -0.845 6.596 2.587 1.00 0.00 C ATOM 695 CD LYS A 50 -2.062 7.488 2.778 1.00 0.00 C ATOM 696 CE LYS A 50 -2.563 7.485 4.209 1.00 0.00 C ATOM 697 NZ LYS A 50 -3.567 8.536 4.435 1.00 0.00 N ATOM 0 H LYS A 50 0.952 4.742 4.054 1.00 0.00 H new ATOM 0 HA LYS A 50 1.770 6.452 1.984 1.00 0.00 H new ATOM 0 HB2 LYS A 50 0.120 6.963 4.456 1.00 0.00 H new ATOM 0 HB3 LYS A 50 0.422 8.187 3.238 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -0.578 6.559 1.531 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -1.084 5.577 2.892 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -1.811 8.508 2.486 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -2.861 7.154 2.116 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -2.996 6.512 4.441 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -1.724 7.631 4.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -3.887 8.504 5.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -3.146 9.466 4.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -4.379 8.382 3.804 1.00 0.00 H new ATOM 711 N SER A 51 3.230 6.880 4.843 1.00 0.00 N ATOM 712 CA SER A 51 4.306 7.558 5.495 1.00 0.00 C ATOM 713 C SER A 51 5.634 7.209 4.809 1.00 0.00 C ATOM 714 O SER A 51 6.487 8.071 4.614 1.00 0.00 O ATOM 715 CB SER A 51 4.319 7.202 6.973 1.00 0.00 C ATOM 716 OG SER A 51 3.071 7.530 7.579 1.00 0.00 O ATOM 0 H SER A 51 2.846 6.091 5.363 1.00 0.00 H new ATOM 0 HA SER A 51 4.167 8.636 5.415 1.00 0.00 H new ATOM 0 HB2 SER A 51 4.520 6.138 7.094 1.00 0.00 H new ATOM 0 HB3 SER A 51 5.125 7.738 7.475 1.00 0.00 H new ATOM 0 HG SER A 51 2.424 6.815 7.404 1.00 0.00 H new ATOM 722 N LEU A 52 5.768 5.959 4.387 1.00 0.00 N ATOM 723 CA LEU A 52 6.960 5.500 3.697 1.00 0.00 C ATOM 724 C LEU A 52 7.083 6.171 2.337 1.00 0.00 C ATOM 725 O LEU A 52 8.178 6.540 1.926 1.00 0.00 O ATOM 726 CB LEU A 52 6.931 3.991 3.512 1.00 0.00 C ATOM 727 CG LEU A 52 6.763 3.157 4.774 1.00 0.00 C ATOM 728 CD1 LEU A 52 6.596 1.711 4.413 1.00 0.00 C ATOM 729 CD2 LEU A 52 7.939 3.334 5.713 1.00 0.00 C ATOM 0 H LEU A 52 5.056 5.240 4.514 1.00 0.00 H new ATOM 0 HA LEU A 52 7.821 5.767 4.310 1.00 0.00 H new ATOM 0 HB2 LEU A 52 6.117 3.746 2.830 1.00 0.00 H new ATOM 0 HB3 LEU A 52 7.858 3.689 3.024 1.00 0.00 H new ATOM 0 HG LEU A 52 5.869 3.502 5.293 1.00 0.00 H new ATOM 0 HD11 LEU A 52 6.476 1.121 5.321 1.00 0.00 H new ATOM 0 HD12 LEU A 52 5.713 1.593 3.784 1.00 0.00 H new ATOM 0 HD13 LEU A 52 7.477 1.367 3.870 1.00 0.00 H new ATOM 0 HD21 LEU A 52 7.788 2.725 6.604 1.00 0.00 H new ATOM 0 HD22 LEU A 52 8.855 3.022 5.212 1.00 0.00 H new ATOM 0 HD23 LEU A 52 8.021 4.382 6.000 1.00 0.00 H new ATOM 741 N ILE A 53 5.959 6.358 1.643 1.00 0.00 N ATOM 742 CA ILE A 53 5.992 6.996 0.328 1.00 0.00 C ATOM 743 C ILE A 53 6.263 8.492 0.467 1.00 0.00 C ATOM 744 O ILE A 53 6.767 9.127 -0.450 1.00 0.00 O ATOM 745 CB ILE A 53 4.698 6.765 -0.527 1.00 0.00 C ATOM 746 CG1 ILE A 53 3.494 7.503 0.072 1.00 0.00 C ATOM 747 CG2 ILE A 53 4.397 5.280 -0.637 1.00 0.00 C ATOM 748 CD1 ILE A 53 2.199 7.357 -0.712 1.00 0.00 C ATOM 0 H ILE A 53 5.031 6.082 1.963 1.00 0.00 H new ATOM 0 HA ILE A 53 6.807 6.515 -0.213 1.00 0.00 H new ATOM 0 HB ILE A 53 4.880 7.168 -1.523 1.00 0.00 H new ATOM 0 HG12 ILE A 53 3.331 7.139 1.086 1.00 0.00 H new ATOM 0 HG13 ILE A 53 3.737 8.563 0.149 1.00 0.00 H new ATOM 0 HG21 ILE A 53 3.496 5.135 -1.233 1.00 0.00 H new ATOM 0 HG22 ILE A 53 5.235 4.773 -1.116 1.00 0.00 H new ATOM 0 HG23 ILE A 53 4.244 4.865 0.359 1.00 0.00 H new ATOM 0 HD11 ILE A 53 1.406 7.913 -0.212 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.337 7.750 -1.719 1.00 0.00 H new ATOM 0 HD13 ILE A 53 1.924 6.304 -0.768 1.00 0.00 H new ATOM 760 N LYS A 54 5.933 9.033 1.632 1.00 0.00 N ATOM 761 CA LYS A 54 6.142 10.435 1.921 1.00 0.00 C ATOM 762 C LYS A 54 7.641 10.730 2.078 1.00 0.00 C ATOM 763 O LYS A 54 8.137 11.741 1.595 1.00 0.00 O ATOM 764 CB LYS A 54 5.388 10.804 3.203 1.00 0.00 C ATOM 765 CG LYS A 54 5.387 12.279 3.557 1.00 0.00 C ATOM 766 CD LYS A 54 4.643 12.516 4.862 1.00 0.00 C ATOM 767 CE LYS A 54 4.564 13.990 5.214 1.00 0.00 C ATOM 768 NZ LYS A 54 3.760 14.742 4.234 1.00 0.00 N ATOM 0 H LYS A 54 5.513 8.508 2.399 1.00 0.00 H new ATOM 0 HA LYS A 54 5.762 11.035 1.094 1.00 0.00 H new ATOM 0 HB2 LYS A 54 4.355 10.471 3.105 1.00 0.00 H new ATOM 0 HB3 LYS A 54 5.825 10.249 4.033 1.00 0.00 H new ATOM 0 HG2 LYS A 54 6.412 12.638 3.646 1.00 0.00 H new ATOM 0 HG3 LYS A 54 4.918 12.850 2.756 1.00 0.00 H new ATOM 0 HD2 LYS A 54 3.635 12.108 4.784 1.00 0.00 H new ATOM 0 HD3 LYS A 54 5.143 11.978 5.667 1.00 0.00 H new ATOM 0 HE2 LYS A 54 4.128 14.104 6.207 1.00 0.00 H new ATOM 0 HE3 LYS A 54 5.570 14.408 5.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 3.529 15.679 4.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 4.302 14.855 3.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 2.881 14.223 4.035 1.00 0.00 H new ATOM 782 N LYS A 55 8.348 9.835 2.743 1.00 0.00 N ATOM 783 CA LYS A 55 9.779 10.016 2.992 1.00 0.00 C ATOM 784 C LYS A 55 10.672 9.291 1.999 1.00 0.00 C ATOM 785 O LYS A 55 11.531 9.897 1.368 1.00 0.00 O ATOM 786 CB LYS A 55 10.161 9.630 4.439 1.00 0.00 C ATOM 787 CG LYS A 55 9.484 8.377 4.970 1.00 0.00 C ATOM 788 CD LYS A 55 9.848 8.078 6.421 1.00 0.00 C ATOM 789 CE LYS A 55 9.376 9.157 7.383 1.00 0.00 C ATOM 790 NZ LYS A 55 9.674 8.815 8.792 1.00 0.00 N ATOM 0 H LYS A 55 7.960 8.972 3.124 1.00 0.00 H new ATOM 0 HA LYS A 55 9.958 11.082 2.851 1.00 0.00 H new ATOM 0 HB2 LYS A 55 11.241 9.490 4.489 1.00 0.00 H new ATOM 0 HB3 LYS A 55 9.917 10.463 5.098 1.00 0.00 H new ATOM 0 HG2 LYS A 55 8.403 8.491 4.887 1.00 0.00 H new ATOM 0 HG3 LYS A 55 9.763 7.527 4.348 1.00 0.00 H new ATOM 0 HD2 LYS A 55 9.410 7.123 6.711 1.00 0.00 H new ATOM 0 HD3 LYS A 55 10.930 7.971 6.505 1.00 0.00 H new ATOM 0 HE2 LYS A 55 9.856 10.103 7.130 1.00 0.00 H new ATOM 0 HE3 LYS A 55 8.302 9.303 7.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 9.336 9.577 9.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 9.195 7.926 9.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 10.701 8.701 8.912 1.00 0.00 H new ATOM 804 N TYR A 56 10.480 8.011 1.876 1.00 0.00 N ATOM 805 CA TYR A 56 11.347 7.180 1.067 1.00 0.00 C ATOM 806 C TYR A 56 10.884 7.142 -0.377 1.00 0.00 C ATOM 807 O TYR A 56 11.700 7.170 -1.304 1.00 0.00 O ATOM 808 CB TYR A 56 11.408 5.774 1.664 1.00 0.00 C ATOM 809 CG TYR A 56 11.703 5.776 3.150 1.00 0.00 C ATOM 810 CD1 TYR A 56 12.698 6.585 3.688 1.00 0.00 C ATOM 811 CD2 TYR A 56 10.976 4.983 4.013 1.00 0.00 C ATOM 812 CE1 TYR A 56 12.959 6.594 5.036 1.00 0.00 C ATOM 813 CE2 TYR A 56 11.230 4.978 5.364 1.00 0.00 C ATOM 814 CZ TYR A 56 12.227 5.786 5.873 1.00 0.00 C ATOM 815 OH TYR A 56 12.486 5.791 7.224 1.00 0.00 O ATOM 0 H TYR A 56 9.720 7.505 2.331 1.00 0.00 H new ATOM 0 HA TYR A 56 12.349 7.610 1.070 1.00 0.00 H new ATOM 0 HB2 TYR A 56 10.458 5.269 1.488 1.00 0.00 H new ATOM 0 HB3 TYR A 56 12.176 5.198 1.147 1.00 0.00 H new ATOM 0 HD1 TYR A 56 13.277 7.219 3.033 1.00 0.00 H new ATOM 0 HD2 TYR A 56 10.192 4.353 3.620 1.00 0.00 H new ATOM 0 HE1 TYR A 56 13.734 7.231 5.436 1.00 0.00 H new ATOM 0 HE2 TYR A 56 10.653 4.346 6.023 1.00 0.00 H new ATOM 0 HH TYR A 56 11.881 5.166 7.675 1.00 0.00 H new ATOM 825 N GLY A 57 9.594 7.073 -0.569 1.00 0.00 N ATOM 826 CA GLY A 57 9.055 7.089 -1.902 1.00 0.00 C ATOM 827 C GLY A 57 8.138 5.924 -2.169 1.00 0.00 C ATOM 828 O GLY A 57 8.120 4.939 -1.406 1.00 0.00 O ATOM 0 H GLY A 57 8.900 7.006 0.176 1.00 0.00 H new ATOM 0 HA2 GLY A 57 8.509 8.020 -2.058 1.00 0.00 H new ATOM 0 HA3 GLY A 57 9.874 7.075 -2.621 1.00 0.00 H new ATOM 832 N ALA A 58 7.380 6.027 -3.245 1.00 0.00 N ATOM 833 CA ALA A 58 6.411 5.016 -3.624 1.00 0.00 C ATOM 834 C ALA A 58 7.069 3.692 -3.970 1.00 0.00 C ATOM 835 O ALA A 58 6.567 2.630 -3.606 1.00 0.00 O ATOM 836 CB ALA A 58 5.541 5.512 -4.765 1.00 0.00 C ATOM 0 H ALA A 58 7.420 6.820 -3.885 1.00 0.00 H new ATOM 0 HA ALA A 58 5.774 4.833 -2.758 1.00 0.00 H new ATOM 0 HB1 ALA A 58 4.820 4.740 -5.035 1.00 0.00 H new ATOM 0 HB2 ALA A 58 5.010 6.411 -4.453 1.00 0.00 H new ATOM 0 HB3 ALA A 58 6.167 5.741 -5.627 1.00 0.00 H new ATOM 842 N LYS A 59 8.213 3.757 -4.625 1.00 0.00 N ATOM 843 CA LYS A 59 8.925 2.551 -5.030 1.00 0.00 C ATOM 844 C LYS A 59 9.436 1.785 -3.806 1.00 0.00 C ATOM 845 O LYS A 59 9.432 0.537 -3.795 1.00 0.00 O ATOM 846 CB LYS A 59 10.082 2.873 -5.979 1.00 0.00 C ATOM 847 CG LYS A 59 10.777 1.636 -6.529 1.00 0.00 C ATOM 848 CD LYS A 59 11.960 1.996 -7.394 1.00 0.00 C ATOM 849 CE LYS A 59 12.641 0.756 -7.939 1.00 0.00 C ATOM 850 NZ LYS A 59 13.863 1.093 -8.693 1.00 0.00 N ATOM 0 H LYS A 59 8.672 4.629 -4.889 1.00 0.00 H new ATOM 0 HA LYS A 59 8.218 1.919 -5.567 1.00 0.00 H new ATOM 0 HB2 LYS A 59 9.705 3.468 -6.811 1.00 0.00 H new ATOM 0 HB3 LYS A 59 10.813 3.487 -5.453 1.00 0.00 H new ATOM 0 HG2 LYS A 59 11.109 1.008 -5.702 1.00 0.00 H new ATOM 0 HG3 LYS A 59 10.067 1.048 -7.111 1.00 0.00 H new ATOM 0 HD2 LYS A 59 11.631 2.626 -8.221 1.00 0.00 H new ATOM 0 HD3 LYS A 59 12.674 2.580 -6.813 1.00 0.00 H new ATOM 0 HE2 LYS A 59 12.894 0.088 -7.116 1.00 0.00 H new ATOM 0 HE3 LYS A 59 11.950 0.216 -8.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 14.302 0.221 -9.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 13.618 1.711 -9.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 14.532 1.586 -8.068 1.00 0.00 H new ATOM 864 N TYR A 60 9.817 2.530 -2.757 1.00 0.00 N ATOM 865 CA TYR A 60 10.300 1.937 -1.523 1.00 0.00 C ATOM 866 C TYR A 60 9.203 1.124 -0.918 1.00 0.00 C ATOM 867 O TYR A 60 9.399 -0.037 -0.549 1.00 0.00 O ATOM 868 CB TYR A 60 10.743 3.025 -0.511 1.00 0.00 C ATOM 869 CG TYR A 60 11.050 2.480 0.893 1.00 0.00 C ATOM 870 CD1 TYR A 60 10.031 2.289 1.820 1.00 0.00 C ATOM 871 CD2 TYR A 60 12.329 2.135 1.264 1.00 0.00 C ATOM 872 CE1 TYR A 60 10.277 1.768 3.064 1.00 0.00 C ATOM 873 CE2 TYR A 60 12.594 1.617 2.521 1.00 0.00 C ATOM 874 CZ TYR A 60 11.559 1.432 3.414 1.00 0.00 C ATOM 875 OH TYR A 60 11.811 0.919 4.669 1.00 0.00 O ATOM 0 H TYR A 60 9.796 3.550 -2.750 1.00 0.00 H new ATOM 0 HA TYR A 60 11.163 1.312 -1.752 1.00 0.00 H new ATOM 0 HB2 TYR A 60 11.630 3.527 -0.897 1.00 0.00 H new ATOM 0 HB3 TYR A 60 9.958 3.778 -0.435 1.00 0.00 H new ATOM 0 HD1 TYR A 60 9.020 2.558 1.553 1.00 0.00 H new ATOM 0 HD2 TYR A 60 13.140 2.270 0.564 1.00 0.00 H new ATOM 0 HE1 TYR A 60 9.467 1.623 3.763 1.00 0.00 H new ATOM 0 HE2 TYR A 60 13.605 1.359 2.800 1.00 0.00 H new ATOM 0 HH TYR A 60 12.769 0.731 4.759 1.00 0.00 H new ATOM 885 N ALA A 61 8.044 1.738 -0.827 1.00 0.00 N ATOM 886 CA ALA A 61 6.910 1.121 -0.219 1.00 0.00 C ATOM 887 C ALA A 61 6.430 -0.047 -1.026 1.00 0.00 C ATOM 888 O ALA A 61 6.023 -1.029 -0.470 1.00 0.00 O ATOM 889 CB ALA A 61 5.817 2.108 -0.026 1.00 0.00 C ATOM 0 H ALA A 61 7.872 2.681 -1.176 1.00 0.00 H new ATOM 0 HA ALA A 61 7.216 0.749 0.759 1.00 0.00 H new ATOM 0 HB1 ALA A 61 4.962 1.618 0.439 1.00 0.00 H new ATOM 0 HB2 ALA A 61 6.166 2.916 0.617 1.00 0.00 H new ATOM 0 HB3 ALA A 61 5.520 2.516 -0.992 1.00 0.00 H new ATOM 895 N ALA A 62 6.505 0.061 -2.341 1.00 0.00 N ATOM 896 CA ALA A 62 6.117 -1.028 -3.224 1.00 0.00 C ATOM 897 C ALA A 62 6.962 -2.268 -2.936 1.00 0.00 C ATOM 898 O ALA A 62 6.459 -3.395 -2.919 1.00 0.00 O ATOM 899 CB ALA A 62 6.253 -0.609 -4.679 1.00 0.00 C ATOM 0 H ALA A 62 6.833 0.897 -2.824 1.00 0.00 H new ATOM 0 HA ALA A 62 5.071 -1.273 -3.038 1.00 0.00 H new ATOM 0 HB1 ALA A 62 5.959 -1.436 -5.325 1.00 0.00 H new ATOM 0 HB2 ALA A 62 5.609 0.249 -4.872 1.00 0.00 H new ATOM 0 HB3 ALA A 62 7.289 -0.339 -4.885 1.00 0.00 H new ATOM 905 N ALA A 63 8.241 -2.051 -2.682 1.00 0.00 N ATOM 906 CA ALA A 63 9.136 -3.135 -2.340 1.00 0.00 C ATOM 907 C ALA A 63 8.849 -3.610 -0.916 1.00 0.00 C ATOM 908 O ALA A 63 8.758 -4.807 -0.665 1.00 0.00 O ATOM 909 CB ALA A 63 10.585 -2.701 -2.496 1.00 0.00 C ATOM 0 H ALA A 63 8.681 -1.131 -2.707 1.00 0.00 H new ATOM 0 HA ALA A 63 8.967 -3.968 -3.022 1.00 0.00 H new ATOM 0 HB1 ALA A 63 11.243 -3.530 -2.234 1.00 0.00 H new ATOM 0 HB2 ALA A 63 10.767 -2.405 -3.529 1.00 0.00 H new ATOM 0 HB3 ALA A 63 10.785 -1.857 -1.836 1.00 0.00 H new ATOM 915 N TRP A 64 8.651 -2.650 -0.012 1.00 0.00 N ATOM 916 CA TRP A 64 8.345 -2.908 1.401 1.00 0.00 C ATOM 917 C TRP A 64 7.085 -3.760 1.534 1.00 0.00 C ATOM 918 O TRP A 64 7.064 -4.742 2.299 1.00 0.00 O ATOM 919 CB TRP A 64 8.171 -1.569 2.152 1.00 0.00 C ATOM 920 CG TRP A 64 7.791 -1.702 3.597 1.00 0.00 C ATOM 921 CD1 TRP A 64 8.635 -1.779 4.648 1.00 0.00 C ATOM 922 CD2 TRP A 64 6.459 -1.750 4.145 1.00 0.00 C ATOM 923 NE1 TRP A 64 7.928 -1.886 5.817 1.00 0.00 N ATOM 924 CE2 TRP A 64 6.589 -1.865 5.536 1.00 0.00 C ATOM 925 CE3 TRP A 64 5.176 -1.706 3.592 1.00 0.00 C ATOM 926 CZ2 TRP A 64 5.485 -1.938 6.383 1.00 0.00 C ATOM 927 CZ3 TRP A 64 4.089 -1.773 4.432 1.00 0.00 C ATOM 928 CH2 TRP A 64 4.244 -1.886 5.808 1.00 0.00 C ATOM 0 H TRP A 64 8.699 -1.657 -0.241 1.00 0.00 H new ATOM 0 HA TRP A 64 9.175 -3.459 1.844 1.00 0.00 H new ATOM 0 HB2 TRP A 64 9.103 -1.008 2.086 1.00 0.00 H new ATOM 0 HB3 TRP A 64 7.408 -0.980 1.643 1.00 0.00 H new ATOM 0 HD1 TRP A 64 9.713 -1.759 4.578 1.00 0.00 H new ATOM 0 HE1 TRP A 64 8.335 -1.968 6.749 1.00 0.00 H new ATOM 0 HE3 TRP A 64 5.041 -1.621 2.524 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 5.604 -2.032 7.452 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 3.094 -1.737 4.013 1.00 0.00 H new ATOM 0 HH2 TRP A 64 3.367 -1.934 6.437 1.00 0.00 H new