USER MOD reduce.3.24.130724 H: found=0, std=0, add=492, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 492 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 NoAdj-H: A 1 LEU H3 : A 1 LEU N : A 64 TRP C :(NH2R) USER MOD Set 1.1: A 51 SER OG : rot 180:sc= -0.623 USER MOD Set 1.2: A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 LEU N :NH3+ 152:sc= 1.2 (180deg=-0.504) USER MOD Single : A 2 THR OG1 : rot 73:sc= 1.28 USER MOD Single : A 4 ASN : amide:sc= 1.15 K(o=1.2,f=-0.004) USER MOD Single : A 8 SER OG : rot 180:sc= 0.0778 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= -0.0493 K(o=-0.049,f=-0.55!) USER MOD Single : A 21 THR OG1 : rot -90:sc= 1.2 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot -178:sc= -0.731 USER MOD Single : A 33 THR OG1 : rot 68:sc= 1.23 USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.523 USER MOD Single : A 48 THR OG1 : rot 70:sc= 1.27 USER MOD Single : A 50 LYS NZ :NH3+ -160:sc= 2.18 (180deg=1.39) USER MOD Single : A 54 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+ -160:sc= -0.114 (180deg=-0.492) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 5.924 -3.202 0.872 1.00 0.00 N ATOM 2 CA LEU A 1 4.638 -3.890 0.884 1.00 0.00 C ATOM 3 C LEU A 1 4.825 -5.328 0.498 1.00 0.00 C ATOM 4 O LEU A 1 4.412 -6.227 1.204 1.00 0.00 O ATOM 5 CB LEU A 1 3.662 -3.236 -0.102 1.00 0.00 C ATOM 6 CG LEU A 1 3.119 -1.853 0.256 1.00 0.00 C ATOM 7 CD1 LEU A 1 2.383 -1.278 -0.929 1.00 0.00 C ATOM 8 CD2 LEU A 1 2.176 -1.939 1.440 1.00 0.00 C ATOM 0 H1 LEU A 1 5.776 -2.193 0.666 1.00 0.00 H new ATOM 0 HA LEU A 1 4.228 -3.823 1.892 1.00 0.00 H new ATOM 0 HB2 LEU A 1 4.160 -3.162 -1.069 1.00 0.00 H new ATOM 0 HB3 LEU A 1 2.813 -3.908 -0.231 1.00 0.00 H new ATOM 0 HG LEU A 1 3.957 -1.208 0.521 1.00 0.00 H new ATOM 0 HD11 LEU A 1 1.996 -0.292 -0.673 1.00 0.00 H new ATOM 0 HD12 LEU A 1 3.066 -1.192 -1.774 1.00 0.00 H new ATOM 0 HD13 LEU A 1 1.555 -1.935 -1.197 1.00 0.00 H new ATOM 0 HD21 LEU A 1 1.800 -0.944 1.679 1.00 0.00 H new ATOM 0 HD22 LEU A 1 1.340 -2.593 1.192 1.00 0.00 H new ATOM 0 HD23 LEU A 1 2.709 -2.342 2.301 1.00 0.00 H new ATOM 20 N THR A 2 5.517 -5.525 -0.587 1.00 0.00 N ATOM 21 CA THR A 2 5.777 -6.839 -1.121 1.00 0.00 C ATOM 22 C THR A 2 6.476 -7.728 -0.096 1.00 0.00 C ATOM 23 O THR A 2 6.078 -8.885 0.105 1.00 0.00 O ATOM 24 CB THR A 2 6.639 -6.725 -2.386 1.00 0.00 C ATOM 25 OG1 THR A 2 5.971 -5.959 -3.394 1.00 0.00 O ATOM 26 CG2 THR A 2 7.009 -8.076 -2.915 1.00 0.00 C ATOM 0 H THR A 2 5.924 -4.769 -1.137 1.00 0.00 H new ATOM 0 HA THR A 2 4.820 -7.298 -1.369 1.00 0.00 H new ATOM 0 HB THR A 2 7.557 -6.206 -2.112 1.00 0.00 H new ATOM 0 HG1 THR A 2 5.978 -5.012 -3.143 1.00 0.00 H new ATOM 0 HG21 THR A 2 7.619 -7.961 -3.811 1.00 0.00 H new ATOM 0 HG22 THR A 2 7.574 -8.621 -2.158 1.00 0.00 H new ATOM 0 HG23 THR A 2 6.104 -8.631 -3.161 1.00 0.00 H new ATOM 34 N ALA A 3 7.470 -7.173 0.546 1.00 0.00 N ATOM 35 CA ALA A 3 8.270 -7.877 1.540 1.00 0.00 C ATOM 36 C ALA A 3 7.468 -8.227 2.789 1.00 0.00 C ATOM 37 O ALA A 3 7.537 -9.342 3.291 1.00 0.00 O ATOM 38 CB ALA A 3 9.461 -7.027 1.928 1.00 0.00 C ATOM 0 H ALA A 3 7.759 -6.206 0.398 1.00 0.00 H new ATOM 0 HA ALA A 3 8.601 -8.812 1.089 1.00 0.00 H new ATOM 0 HB1 ALA A 3 10.058 -7.555 2.671 1.00 0.00 H new ATOM 0 HB2 ALA A 3 10.071 -6.830 1.046 1.00 0.00 H new ATOM 0 HB3 ALA A 3 9.113 -6.083 2.346 1.00 0.00 H new ATOM 44 N ASN A 4 6.684 -7.291 3.248 1.00 0.00 N ATOM 45 CA ASN A 4 5.981 -7.425 4.520 1.00 0.00 C ATOM 46 C ASN A 4 4.675 -8.141 4.398 1.00 0.00 C ATOM 47 O ASN A 4 4.195 -8.721 5.359 1.00 0.00 O ATOM 48 CB ASN A 4 5.767 -6.064 5.177 1.00 0.00 C ATOM 49 CG ASN A 4 7.036 -5.483 5.756 1.00 0.00 C ATOM 50 OD1 ASN A 4 7.349 -5.685 6.930 1.00 0.00 O ATOM 51 ND2 ASN A 4 7.784 -4.789 4.957 1.00 0.00 N ATOM 0 H ASN A 4 6.506 -6.412 2.762 1.00 0.00 H new ATOM 0 HA ASN A 4 6.625 -8.035 5.153 1.00 0.00 H new ATOM 0 HB2 ASN A 4 5.359 -5.371 4.441 1.00 0.00 H new ATOM 0 HB3 ASN A 4 5.024 -6.161 5.969 1.00 0.00 H new ATOM 0 HD21 ASN A 4 8.661 -4.392 5.295 1.00 0.00 H new ATOM 0 HD22 ASN A 4 7.496 -4.640 3.990 1.00 0.00 H new ATOM 58 N LEU A 5 4.074 -8.064 3.252 1.00 0.00 N ATOM 59 CA LEU A 5 2.802 -8.715 3.042 1.00 0.00 C ATOM 60 C LEU A 5 2.991 -10.039 2.335 1.00 0.00 C ATOM 61 O LEU A 5 2.189 -10.961 2.504 1.00 0.00 O ATOM 62 CB LEU A 5 1.931 -7.816 2.198 1.00 0.00 C ATOM 63 CG LEU A 5 1.754 -6.395 2.721 1.00 0.00 C ATOM 64 CD1 LEU A 5 1.075 -5.556 1.684 1.00 0.00 C ATOM 65 CD2 LEU A 5 0.984 -6.373 4.034 1.00 0.00 C ATOM 0 H LEU A 5 4.436 -7.559 2.443 1.00 0.00 H new ATOM 0 HA LEU A 5 2.332 -8.902 4.008 1.00 0.00 H new ATOM 0 HB2 LEU A 5 2.355 -7.765 1.195 1.00 0.00 H new ATOM 0 HB3 LEU A 5 0.947 -8.276 2.105 1.00 0.00 H new ATOM 0 HG LEU A 5 2.740 -5.977 2.924 1.00 0.00 H new ATOM 0 HD11 LEU A 5 0.950 -4.541 2.062 1.00 0.00 H new ATOM 0 HD12 LEU A 5 1.682 -5.534 0.779 1.00 0.00 H new ATOM 0 HD13 LEU A 5 0.098 -5.981 1.455 1.00 0.00 H new ATOM 0 HD21 LEU A 5 0.877 -5.344 4.376 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -0.003 -6.810 3.884 1.00 0.00 H new ATOM 0 HD23 LEU A 5 1.526 -6.950 4.783 1.00 0.00 H new ATOM 77 N GLY A 6 4.054 -10.141 1.550 1.00 0.00 N ATOM 78 CA GLY A 6 4.317 -11.375 0.844 1.00 0.00 C ATOM 79 C GLY A 6 3.482 -11.445 -0.393 1.00 0.00 C ATOM 80 O GLY A 6 2.922 -12.492 -0.735 1.00 0.00 O ATOM 0 H GLY A 6 4.733 -9.397 1.391 1.00 0.00 H new ATOM 0 HA2 GLY A 6 5.374 -11.436 0.583 1.00 0.00 H new ATOM 0 HA3 GLY A 6 4.098 -12.226 1.489 1.00 0.00 H new ATOM 84 N ILE A 7 3.394 -10.335 -1.063 1.00 0.00 N ATOM 85 CA ILE A 7 2.551 -10.229 -2.235 1.00 0.00 C ATOM 86 C ILE A 7 3.374 -10.092 -3.494 1.00 0.00 C ATOM 87 O ILE A 7 4.612 -10.079 -3.444 1.00 0.00 O ATOM 88 CB ILE A 7 1.549 -9.049 -2.137 1.00 0.00 C ATOM 89 CG1 ILE A 7 2.283 -7.714 -1.904 1.00 0.00 C ATOM 90 CG2 ILE A 7 0.524 -9.313 -1.044 1.00 0.00 C ATOM 91 CD1 ILE A 7 1.373 -6.504 -1.878 1.00 0.00 C ATOM 0 H ILE A 7 3.896 -9.480 -0.823 1.00 0.00 H new ATOM 0 HA ILE A 7 1.978 -11.155 -2.282 1.00 0.00 H new ATOM 0 HB ILE A 7 1.021 -8.969 -3.087 1.00 0.00 H new ATOM 0 HG12 ILE A 7 2.823 -7.769 -0.959 1.00 0.00 H new ATOM 0 HG13 ILE A 7 3.027 -7.579 -2.689 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -0.172 -8.476 -0.988 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -0.025 -10.226 -1.273 1.00 0.00 H new ATOM 0 HG23 ILE A 7 1.033 -9.426 -0.087 1.00 0.00 H new ATOM 0 HD11 ILE A 7 1.967 -5.606 -1.709 1.00 0.00 H new ATOM 0 HD12 ILE A 7 0.851 -6.421 -2.831 1.00 0.00 H new ATOM 0 HD13 ILE A 7 0.645 -6.614 -1.074 1.00 0.00 H new ATOM 103 N SER A 8 2.703 -10.030 -4.604 1.00 0.00 N ATOM 104 CA SER A 8 3.333 -9.842 -5.865 1.00 0.00 C ATOM 105 C SER A 8 3.674 -8.364 -6.045 1.00 0.00 C ATOM 106 O SER A 8 3.037 -7.488 -5.424 1.00 0.00 O ATOM 107 CB SER A 8 2.395 -10.327 -6.972 1.00 0.00 C ATOM 108 OG SER A 8 1.115 -9.710 -6.862 1.00 0.00 O ATOM 0 H SER A 8 1.687 -10.110 -4.654 1.00 0.00 H new ATOM 0 HA SER A 8 4.257 -10.417 -5.915 1.00 0.00 H new ATOM 0 HB2 SER A 8 2.829 -10.102 -7.946 1.00 0.00 H new ATOM 0 HB3 SER A 8 2.287 -11.410 -6.914 1.00 0.00 H new ATOM 0 HG SER A 8 0.533 -10.034 -7.581 1.00 0.00 H new ATOM 114 N SER A 9 4.660 -8.084 -6.872 1.00 0.00 N ATOM 115 CA SER A 9 5.072 -6.726 -7.147 1.00 0.00 C ATOM 116 C SER A 9 3.919 -5.966 -7.834 1.00 0.00 C ATOM 117 O SER A 9 3.736 -4.753 -7.624 1.00 0.00 O ATOM 118 CB SER A 9 6.345 -6.740 -8.022 1.00 0.00 C ATOM 119 OG SER A 9 6.912 -5.448 -8.172 1.00 0.00 O ATOM 0 H SER A 9 5.197 -8.792 -7.372 1.00 0.00 H new ATOM 0 HA SER A 9 5.308 -6.210 -6.216 1.00 0.00 H new ATOM 0 HB2 SER A 9 7.082 -7.408 -7.576 1.00 0.00 H new ATOM 0 HB3 SER A 9 6.103 -7.144 -9.005 1.00 0.00 H new ATOM 0 HG SER A 9 7.715 -5.506 -8.731 1.00 0.00 H new ATOM 125 N TYR A 10 3.117 -6.704 -8.606 1.00 0.00 N ATOM 126 CA TYR A 10 1.973 -6.142 -9.294 1.00 0.00 C ATOM 127 C TYR A 10 0.944 -5.675 -8.264 1.00 0.00 C ATOM 128 O TYR A 10 0.477 -4.535 -8.325 1.00 0.00 O ATOM 129 CB TYR A 10 1.349 -7.183 -10.239 1.00 0.00 C ATOM 130 CG TYR A 10 0.349 -6.614 -11.237 1.00 0.00 C ATOM 131 CD1 TYR A 10 -0.959 -6.303 -10.871 1.00 0.00 C ATOM 132 CD2 TYR A 10 0.722 -6.397 -12.559 1.00 0.00 C ATOM 133 CE1 TYR A 10 -1.851 -5.794 -11.789 1.00 0.00 C ATOM 134 CE2 TYR A 10 -0.171 -5.885 -13.480 1.00 0.00 C ATOM 135 CZ TYR A 10 -1.455 -5.585 -13.089 1.00 0.00 C ATOM 136 OH TYR A 10 -2.354 -5.065 -14.008 1.00 0.00 O ATOM 0 H TYR A 10 3.249 -7.703 -8.765 1.00 0.00 H new ATOM 0 HA TYR A 10 2.297 -5.291 -9.893 1.00 0.00 H new ATOM 0 HB2 TYR A 10 2.148 -7.681 -10.789 1.00 0.00 H new ATOM 0 HB3 TYR A 10 0.851 -7.946 -9.640 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -1.278 -6.463 -9.852 1.00 0.00 H new ATOM 0 HD2 TYR A 10 1.729 -6.633 -12.871 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -2.861 -5.559 -11.488 1.00 0.00 H new ATOM 0 HE2 TYR A 10 0.137 -5.721 -14.502 1.00 0.00 H new ATOM 0 HH TYR A 10 -1.916 -4.978 -14.880 1.00 0.00 H new ATOM 146 N ALA A 11 0.624 -6.547 -7.296 1.00 0.00 N ATOM 147 CA ALA A 11 -0.339 -6.217 -6.242 1.00 0.00 C ATOM 148 C ALA A 11 0.138 -5.044 -5.428 1.00 0.00 C ATOM 149 O ALA A 11 -0.649 -4.177 -5.079 1.00 0.00 O ATOM 150 CB ALA A 11 -0.606 -7.411 -5.343 1.00 0.00 C ATOM 0 H ALA A 11 1.019 -7.485 -7.224 1.00 0.00 H new ATOM 0 HA ALA A 11 -1.276 -5.944 -6.727 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -1.324 -7.132 -4.572 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -1.011 -8.230 -5.937 1.00 0.00 H new ATOM 0 HB3 ALA A 11 0.325 -7.728 -4.874 1.00 0.00 H new ATOM 156 N ALA A 12 1.432 -5.003 -5.159 1.00 0.00 N ATOM 157 CA ALA A 12 2.026 -3.901 -4.425 1.00 0.00 C ATOM 158 C ALA A 12 1.812 -2.593 -5.164 1.00 0.00 C ATOM 159 O ALA A 12 1.430 -1.597 -4.568 1.00 0.00 O ATOM 160 CB ALA A 12 3.502 -4.142 -4.209 1.00 0.00 C ATOM 0 H ALA A 12 2.094 -5.726 -5.441 1.00 0.00 H new ATOM 0 HA ALA A 12 1.538 -3.836 -3.453 1.00 0.00 H new ATOM 0 HB1 ALA A 12 3.930 -3.305 -3.657 1.00 0.00 H new ATOM 0 HB2 ALA A 12 3.641 -5.061 -3.640 1.00 0.00 H new ATOM 0 HB3 ALA A 12 4.001 -4.233 -5.174 1.00 0.00 H new ATOM 166 N LYS A 13 2.005 -2.627 -6.478 1.00 0.00 N ATOM 167 CA LYS A 13 1.835 -1.452 -7.328 1.00 0.00 C ATOM 168 C LYS A 13 0.381 -0.985 -7.277 1.00 0.00 C ATOM 169 O LYS A 13 0.091 0.220 -7.275 1.00 0.00 O ATOM 170 CB LYS A 13 2.218 -1.789 -8.769 1.00 0.00 C ATOM 171 CG LYS A 13 2.300 -0.587 -9.716 1.00 0.00 C ATOM 172 CD LYS A 13 3.447 0.368 -9.360 1.00 0.00 C ATOM 173 CE LYS A 13 4.804 -0.325 -9.459 1.00 0.00 C ATOM 174 NZ LYS A 13 5.937 0.598 -9.250 1.00 0.00 N ATOM 0 H LYS A 13 2.283 -3.468 -6.984 1.00 0.00 H new ATOM 0 HA LYS A 13 2.483 -0.654 -6.965 1.00 0.00 H new ATOM 0 HB2 LYS A 13 3.184 -2.294 -8.764 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.490 -2.496 -9.166 1.00 0.00 H new ATOM 0 HG2 LYS A 13 2.432 -0.943 -10.738 1.00 0.00 H new ATOM 0 HG3 LYS A 13 1.356 -0.042 -9.688 1.00 0.00 H new ATOM 0 HD2 LYS A 13 3.427 1.228 -10.030 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.304 0.748 -8.348 1.00 0.00 H new ATOM 0 HE2 LYS A 13 4.853 -1.125 -8.720 1.00 0.00 H new ATOM 0 HE3 LYS A 13 4.898 -0.791 -10.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 6.831 0.073 -9.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 5.911 1.348 -9.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 5.868 1.024 -8.304 1.00 0.00 H new ATOM 188 N LYS A 14 -0.518 -1.954 -7.242 1.00 0.00 N ATOM 189 CA LYS A 14 -1.943 -1.704 -7.116 1.00 0.00 C ATOM 190 C LYS A 14 -2.243 -1.002 -5.809 1.00 0.00 C ATOM 191 O LYS A 14 -2.958 0.004 -5.794 1.00 0.00 O ATOM 192 CB LYS A 14 -2.718 -3.010 -7.184 1.00 0.00 C ATOM 193 CG LYS A 14 -2.567 -3.828 -8.472 1.00 0.00 C ATOM 194 CD LYS A 14 -3.149 -3.141 -9.707 1.00 0.00 C ATOM 195 CE LYS A 14 -2.197 -2.145 -10.365 1.00 0.00 C ATOM 196 NZ LYS A 14 -2.829 -1.464 -11.505 1.00 0.00 N ATOM 0 H LYS A 14 -0.277 -2.943 -7.301 1.00 0.00 H new ATOM 0 HA LYS A 14 -2.251 -1.063 -7.942 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -2.409 -3.634 -6.345 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -3.776 -2.787 -7.043 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -1.509 -4.028 -8.643 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -3.057 -4.793 -8.339 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -3.426 -3.901 -10.437 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -4.065 -2.622 -9.425 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -1.878 -1.406 -9.630 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -1.301 -2.666 -10.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -2.154 -0.795 -11.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -3.111 -2.168 -12.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -3.670 -0.947 -11.178 1.00 0.00 H new ATOM 210 N VAL A 15 -1.707 -1.546 -4.724 1.00 0.00 N ATOM 211 CA VAL A 15 -1.829 -0.943 -3.391 1.00 0.00 C ATOM 212 C VAL A 15 -1.304 0.491 -3.415 1.00 0.00 C ATOM 213 O VAL A 15 -1.972 1.401 -2.927 1.00 0.00 O ATOM 214 CB VAL A 15 -1.038 -1.733 -2.313 1.00 0.00 C ATOM 215 CG1 VAL A 15 -1.210 -1.105 -0.933 1.00 0.00 C ATOM 216 CG2 VAL A 15 -1.454 -3.189 -2.284 1.00 0.00 C ATOM 0 H VAL A 15 -1.175 -2.416 -4.737 1.00 0.00 H new ATOM 0 HA VAL A 15 -2.887 -0.965 -3.131 1.00 0.00 H new ATOM 0 HB VAL A 15 0.017 -1.685 -2.583 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -0.645 -1.679 -0.199 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -0.843 -0.079 -0.952 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -2.266 -1.107 -0.661 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -0.883 -3.715 -1.519 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -2.517 -3.259 -2.055 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -1.262 -3.642 -3.257 1.00 0.00 H new ATOM 226 N ILE A 16 -0.125 0.676 -4.020 1.00 0.00 N ATOM 227 CA ILE A 16 0.521 1.995 -4.142 1.00 0.00 C ATOM 228 C ILE A 16 -0.408 2.978 -4.815 1.00 0.00 C ATOM 229 O ILE A 16 -0.602 4.088 -4.339 1.00 0.00 O ATOM 230 CB ILE A 16 1.849 1.923 -4.956 1.00 0.00 C ATOM 231 CG1 ILE A 16 2.888 1.069 -4.231 1.00 0.00 C ATOM 232 CG2 ILE A 16 2.409 3.318 -5.239 1.00 0.00 C ATOM 233 CD1 ILE A 16 3.303 1.607 -2.880 1.00 0.00 C ATOM 0 H ILE A 16 0.411 -0.083 -4.440 1.00 0.00 H new ATOM 0 HA ILE A 16 0.752 2.327 -3.130 1.00 0.00 H new ATOM 0 HB ILE A 16 1.620 1.453 -5.912 1.00 0.00 H new ATOM 0 HG12 ILE A 16 2.488 0.063 -4.101 1.00 0.00 H new ATOM 0 HG13 ILE A 16 3.773 0.981 -4.861 1.00 0.00 H new ATOM 0 HG21 ILE A 16 3.335 3.230 -5.808 1.00 0.00 H new ATOM 0 HG22 ILE A 16 1.683 3.892 -5.814 1.00 0.00 H new ATOM 0 HG23 ILE A 16 2.609 3.828 -4.297 1.00 0.00 H new ATOM 0 HD11 ILE A 16 4.042 0.941 -2.435 1.00 0.00 H new ATOM 0 HD12 ILE A 16 3.736 2.600 -3.001 1.00 0.00 H new ATOM 0 HD13 ILE A 16 2.431 1.668 -2.229 1.00 0.00 H new ATOM 245 N ASP A 17 -0.997 2.537 -5.897 1.00 0.00 N ATOM 246 CA ASP A 17 -1.925 3.341 -6.674 1.00 0.00 C ATOM 247 C ASP A 17 -3.085 3.811 -5.814 1.00 0.00 C ATOM 248 O ASP A 17 -3.459 4.973 -5.835 1.00 0.00 O ATOM 249 CB ASP A 17 -2.440 2.525 -7.856 1.00 0.00 C ATOM 250 CG ASP A 17 -3.492 3.235 -8.674 1.00 0.00 C ATOM 251 OD1 ASP A 17 -3.139 4.118 -9.485 1.00 0.00 O ATOM 252 OD2 ASP A 17 -4.685 2.884 -8.550 1.00 0.00 O ATOM 0 H ASP A 17 -0.849 1.601 -6.273 1.00 0.00 H new ATOM 0 HA ASP A 17 -1.401 4.223 -7.044 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -1.601 2.270 -8.503 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -2.853 1.587 -7.485 1.00 0.00 H new ATOM 257 N ILE A 18 -3.593 2.924 -5.011 1.00 0.00 N ATOM 258 CA ILE A 18 -4.734 3.225 -4.176 1.00 0.00 C ATOM 259 C ILE A 18 -4.325 4.113 -2.994 1.00 0.00 C ATOM 260 O ILE A 18 -4.943 5.139 -2.753 1.00 0.00 O ATOM 261 CB ILE A 18 -5.391 1.939 -3.648 1.00 0.00 C ATOM 262 CG1 ILE A 18 -5.779 1.031 -4.810 1.00 0.00 C ATOM 263 CG2 ILE A 18 -6.615 2.279 -2.809 1.00 0.00 C ATOM 264 CD1 ILE A 18 -6.146 -0.375 -4.398 1.00 0.00 C ATOM 0 H ILE A 18 -3.236 1.974 -4.911 1.00 0.00 H new ATOM 0 HA ILE A 18 -5.456 3.760 -4.792 1.00 0.00 H new ATOM 0 HB ILE A 18 -4.674 1.412 -3.018 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -6.623 1.475 -5.338 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -4.949 0.987 -5.515 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -7.071 1.360 -2.441 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -6.316 2.899 -1.964 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -7.336 2.822 -3.420 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -6.409 -0.956 -5.282 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -5.297 -0.841 -3.897 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -6.997 -0.344 -3.717 1.00 0.00 H new ATOM 276 N ILE A 19 -3.283 3.723 -2.269 1.00 0.00 N ATOM 277 CA ILE A 19 -2.833 4.518 -1.123 1.00 0.00 C ATOM 278 C ILE A 19 -2.363 5.913 -1.548 1.00 0.00 C ATOM 279 O ILE A 19 -2.429 6.844 -0.768 1.00 0.00 O ATOM 280 CB ILE A 19 -1.710 3.840 -0.274 1.00 0.00 C ATOM 281 CG1 ILE A 19 -0.445 3.630 -1.111 1.00 0.00 C ATOM 282 CG2 ILE A 19 -2.199 2.523 0.328 1.00 0.00 C ATOM 283 CD1 ILE A 19 0.729 3.076 -0.343 1.00 0.00 C ATOM 0 H ILE A 19 -2.740 2.878 -2.446 1.00 0.00 H new ATOM 0 HA ILE A 19 -3.716 4.599 -0.489 1.00 0.00 H new ATOM 0 HB ILE A 19 -1.459 4.508 0.550 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.677 2.953 -1.933 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -0.156 4.583 -1.554 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.399 2.071 0.914 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -3.057 2.714 0.972 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -2.491 1.843 -0.473 1.00 0.00 H new ATOM 0 HD11 ILE A 19 1.580 2.960 -1.014 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.993 3.761 0.463 1.00 0.00 H new ATOM 0 HD13 ILE A 19 0.463 2.106 0.078 1.00 0.00 H new ATOM 295 N ASN A 20 -1.894 6.053 -2.775 1.00 0.00 N ATOM 296 CA ASN A 20 -1.425 7.343 -3.247 1.00 0.00 C ATOM 297 C ASN A 20 -2.618 8.223 -3.618 1.00 0.00 C ATOM 298 O ASN A 20 -2.642 9.420 -3.320 1.00 0.00 O ATOM 299 CB ASN A 20 -0.501 7.169 -4.463 1.00 0.00 C ATOM 300 CG ASN A 20 0.341 8.406 -4.785 1.00 0.00 C ATOM 301 OD1 ASN A 20 -0.046 9.546 -4.523 1.00 0.00 O ATOM 302 ND2 ASN A 20 1.496 8.185 -5.364 1.00 0.00 N ATOM 0 H ASN A 20 -1.828 5.297 -3.457 1.00 0.00 H new ATOM 0 HA ASN A 20 -0.859 7.823 -2.449 1.00 0.00 H new ATOM 0 HB2 ASN A 20 0.165 6.325 -4.283 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -1.106 6.917 -5.334 1.00 0.00 H new ATOM 0 HD21 ASN A 20 2.101 8.968 -5.610 1.00 0.00 H new ATOM 0 HD22 ASN A 20 1.790 7.230 -5.568 1.00 0.00 H new ATOM 309 N THR A 21 -3.629 7.619 -4.200 1.00 0.00 N ATOM 310 CA THR A 21 -4.790 8.353 -4.654 1.00 0.00 C ATOM 311 C THR A 21 -5.757 8.666 -3.504 1.00 0.00 C ATOM 312 O THR A 21 -6.243 9.807 -3.369 1.00 0.00 O ATOM 313 CB THR A 21 -5.543 7.569 -5.763 1.00 0.00 C ATOM 314 OG1 THR A 21 -5.819 6.238 -5.309 1.00 0.00 O ATOM 315 CG2 THR A 21 -4.727 7.469 -7.025 1.00 0.00 C ATOM 0 H THR A 21 -3.671 6.614 -4.371 1.00 0.00 H new ATOM 0 HA THR A 21 -4.425 9.296 -5.061 1.00 0.00 H new ATOM 0 HB THR A 21 -6.465 8.111 -5.976 1.00 0.00 H new ATOM 0 HG1 THR A 21 -5.074 5.649 -5.550 1.00 0.00 H new ATOM 0 HG21 THR A 21 -5.287 6.914 -7.777 1.00 0.00 H new ATOM 0 HG22 THR A 21 -4.511 8.470 -7.399 1.00 0.00 H new ATOM 0 HG23 THR A 21 -3.792 6.951 -6.813 1.00 0.00 H new ATOM 323 N GLY A 22 -6.006 7.666 -2.690 1.00 0.00 N ATOM 324 CA GLY A 22 -6.976 7.740 -1.634 1.00 0.00 C ATOM 325 C GLY A 22 -6.646 8.704 -0.530 1.00 0.00 C ATOM 326 O GLY A 22 -5.482 8.844 -0.112 1.00 0.00 O ATOM 0 H GLY A 22 -5.530 6.766 -2.748 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -7.937 8.020 -2.064 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -7.097 6.746 -1.203 1.00 0.00 H new ATOM 330 N SER A 23 -7.673 9.336 -0.050 1.00 0.00 N ATOM 331 CA SER A 23 -7.596 10.299 0.992 1.00 0.00 C ATOM 332 C SER A 23 -7.922 9.664 2.338 1.00 0.00 C ATOM 333 O SER A 23 -7.030 9.422 3.158 1.00 0.00 O ATOM 334 CB SER A 23 -8.590 11.407 0.687 1.00 0.00 C ATOM 335 OG SER A 23 -8.261 12.064 -0.528 1.00 0.00 O ATOM 0 H SER A 23 -8.623 9.185 -0.391 1.00 0.00 H new ATOM 0 HA SER A 23 -6.584 10.700 1.048 1.00 0.00 H new ATOM 0 HB2 SER A 23 -9.595 10.991 0.619 1.00 0.00 H new ATOM 0 HB3 SER A 23 -8.598 12.128 1.504 1.00 0.00 H new ATOM 0 HG SER A 23 -8.915 12.772 -0.705 1.00 0.00 H new ATOM 341 N ALA A 24 -9.191 9.375 2.542 1.00 0.00 N ATOM 342 CA ALA A 24 -9.657 8.796 3.783 1.00 0.00 C ATOM 343 C ALA A 24 -9.151 7.382 3.944 1.00 0.00 C ATOM 344 O ALA A 24 -9.288 6.563 3.030 1.00 0.00 O ATOM 345 CB ALA A 24 -11.166 8.827 3.861 1.00 0.00 C ATOM 0 H ALA A 24 -9.926 9.535 1.853 1.00 0.00 H new ATOM 0 HA ALA A 24 -9.259 9.398 4.600 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -11.491 8.386 4.803 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -11.512 9.859 3.805 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -11.585 8.258 3.031 1.00 0.00 H new ATOM 351 N VAL A 25 -8.593 7.099 5.108 1.00 0.00 N ATOM 352 CA VAL A 25 -8.008 5.793 5.421 1.00 0.00 C ATOM 353 C VAL A 25 -9.020 4.673 5.211 1.00 0.00 C ATOM 354 O VAL A 25 -8.722 3.681 4.551 1.00 0.00 O ATOM 355 CB VAL A 25 -7.449 5.748 6.873 1.00 0.00 C ATOM 356 CG1 VAL A 25 -6.793 4.407 7.180 1.00 0.00 C ATOM 357 CG2 VAL A 25 -6.460 6.878 7.101 1.00 0.00 C ATOM 0 H VAL A 25 -8.529 7.770 5.873 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.176 5.642 4.734 1.00 0.00 H new ATOM 0 HB VAL A 25 -8.293 5.873 7.552 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -6.415 4.413 8.202 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -7.527 3.609 7.069 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -5.967 4.239 6.488 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -6.081 6.829 8.122 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -5.630 6.782 6.401 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -6.958 7.835 6.945 1.00 0.00 H new ATOM 367 N ALA A 26 -10.230 4.875 5.712 1.00 0.00 N ATOM 368 CA ALA A 26 -11.306 3.895 5.585 1.00 0.00 C ATOM 369 C ALA A 26 -11.636 3.628 4.115 1.00 0.00 C ATOM 370 O ALA A 26 -11.935 2.495 3.724 1.00 0.00 O ATOM 371 CB ALA A 26 -12.544 4.369 6.331 1.00 0.00 C ATOM 0 H ALA A 26 -10.496 5.720 6.217 1.00 0.00 H new ATOM 0 HA ALA A 26 -10.967 2.959 6.029 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -13.337 3.629 6.227 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -12.305 4.499 7.386 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -12.878 5.319 5.915 1.00 0.00 H new ATOM 377 N THR A 27 -11.525 4.664 3.304 1.00 0.00 N ATOM 378 CA THR A 27 -11.809 4.561 1.896 1.00 0.00 C ATOM 379 C THR A 27 -10.704 3.753 1.205 1.00 0.00 C ATOM 380 O THR A 27 -10.978 2.884 0.374 1.00 0.00 O ATOM 381 CB THR A 27 -11.923 5.975 1.284 1.00 0.00 C ATOM 382 OG1 THR A 27 -12.922 6.710 2.020 1.00 0.00 O ATOM 383 CG2 THR A 27 -12.321 5.920 -0.184 1.00 0.00 C ATOM 0 H THR A 27 -11.236 5.594 3.607 1.00 0.00 H new ATOM 0 HA THR A 27 -12.757 4.044 1.749 1.00 0.00 H new ATOM 0 HB THR A 27 -10.950 6.463 1.348 1.00 0.00 H new ATOM 0 HG1 THR A 27 -13.029 7.601 1.626 1.00 0.00 H new ATOM 0 HG21 THR A 27 -12.391 6.933 -0.580 1.00 0.00 H new ATOM 0 HG22 THR A 27 -11.570 5.363 -0.744 1.00 0.00 H new ATOM 0 HG23 THR A 27 -13.287 5.425 -0.281 1.00 0.00 H new ATOM 391 N ILE A 28 -9.473 4.004 1.612 1.00 0.00 N ATOM 392 CA ILE A 28 -8.319 3.325 1.067 1.00 0.00 C ATOM 393 C ILE A 28 -8.377 1.857 1.406 1.00 0.00 C ATOM 394 O ILE A 28 -8.276 1.022 0.516 1.00 0.00 O ATOM 395 CB ILE A 28 -7.018 3.943 1.617 1.00 0.00 C ATOM 396 CG1 ILE A 28 -6.963 5.414 1.258 1.00 0.00 C ATOM 397 CG2 ILE A 28 -5.792 3.221 1.070 1.00 0.00 C ATOM 398 CD1 ILE A 28 -5.888 6.172 1.974 1.00 0.00 C ATOM 0 H ILE A 28 -9.248 4.689 2.334 1.00 0.00 H new ATOM 0 HA ILE A 28 -8.327 3.442 -0.017 1.00 0.00 H new ATOM 0 HB ILE A 28 -7.014 3.833 2.701 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -6.808 5.510 0.183 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -7.927 5.870 1.483 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -4.889 3.679 1.475 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -5.828 2.171 1.361 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -5.780 3.296 -0.017 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -5.912 7.217 1.665 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -6.052 6.108 3.050 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -4.916 5.743 1.729 1.00 0.00 H new ATOM 410 N ILE A 29 -8.592 1.552 2.685 1.00 0.00 N ATOM 411 CA ILE A 29 -8.673 0.171 3.159 1.00 0.00 C ATOM 412 C ILE A 29 -9.686 -0.626 2.344 1.00 0.00 C ATOM 413 O ILE A 29 -9.403 -1.745 1.924 1.00 0.00 O ATOM 414 CB ILE A 29 -9.064 0.118 4.655 1.00 0.00 C ATOM 415 CG1 ILE A 29 -8.006 0.814 5.498 1.00 0.00 C ATOM 416 CG2 ILE A 29 -9.247 -1.328 5.125 1.00 0.00 C ATOM 417 CD1 ILE A 29 -8.431 1.040 6.916 1.00 0.00 C ATOM 0 H ILE A 29 -8.714 2.251 3.418 1.00 0.00 H new ATOM 0 HA ILE A 29 -7.685 -0.273 3.035 1.00 0.00 H new ATOM 0 HB ILE A 29 -10.015 0.637 4.777 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -7.095 0.216 5.490 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -7.762 1.774 5.042 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -9.521 -1.336 6.180 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -10.035 -1.803 4.541 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -8.314 -1.876 4.989 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -7.630 1.540 7.461 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -9.325 1.663 6.933 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -8.648 0.082 7.388 1.00 0.00 H new ATOM 429 N ALA A 30 -10.826 -0.016 2.061 1.00 0.00 N ATOM 430 CA ALA A 30 -11.884 -0.675 1.323 1.00 0.00 C ATOM 431 C ALA A 30 -11.436 -1.003 -0.095 1.00 0.00 C ATOM 432 O ALA A 30 -11.698 -2.104 -0.604 1.00 0.00 O ATOM 433 CB ALA A 30 -13.138 0.188 1.305 1.00 0.00 C ATOM 0 H ALA A 30 -11.040 0.943 2.335 1.00 0.00 H new ATOM 0 HA ALA A 30 -12.118 -1.613 1.827 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -13.923 -0.322 0.746 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -13.475 0.362 2.327 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -12.916 1.143 0.829 1.00 0.00 H new ATOM 439 N LEU A 31 -10.716 -0.083 -0.706 1.00 0.00 N ATOM 440 CA LEU A 31 -10.271 -0.266 -2.077 1.00 0.00 C ATOM 441 C LEU A 31 -9.108 -1.258 -2.158 1.00 0.00 C ATOM 442 O LEU A 31 -9.072 -2.142 -3.047 1.00 0.00 O ATOM 443 CB LEU A 31 -9.881 1.072 -2.695 1.00 0.00 C ATOM 444 CG LEU A 31 -10.992 2.126 -2.810 1.00 0.00 C ATOM 445 CD1 LEU A 31 -10.445 3.412 -3.407 1.00 0.00 C ATOM 446 CD2 LEU A 31 -12.158 1.606 -3.641 1.00 0.00 C ATOM 0 H LEU A 31 -10.426 0.797 -0.278 1.00 0.00 H new ATOM 0 HA LEU A 31 -11.102 -0.683 -2.646 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -9.069 1.496 -2.105 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -9.485 0.884 -3.693 1.00 0.00 H new ATOM 0 HG LEU A 31 -11.362 2.337 -1.806 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -11.246 4.148 -3.481 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -9.652 3.801 -2.768 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -10.044 3.210 -4.400 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -12.930 2.373 -3.705 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -11.808 1.358 -4.643 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -12.571 0.714 -3.170 1.00 0.00 H new ATOM 458 N VAL A 32 -8.175 -1.149 -1.226 1.00 0.00 N ATOM 459 CA VAL A 32 -7.030 -2.040 -1.220 1.00 0.00 C ATOM 460 C VAL A 32 -7.504 -3.466 -0.931 1.00 0.00 C ATOM 461 O VAL A 32 -7.080 -4.412 -1.586 1.00 0.00 O ATOM 462 CB VAL A 32 -5.931 -1.637 -0.193 1.00 0.00 C ATOM 463 CG1 VAL A 32 -4.680 -2.429 -0.437 1.00 0.00 C ATOM 464 CG2 VAL A 32 -5.595 -0.172 -0.266 1.00 0.00 C ATOM 0 H VAL A 32 -8.188 -0.461 -0.473 1.00 0.00 H new ATOM 0 HA VAL A 32 -6.571 -1.971 -2.206 1.00 0.00 H new ATOM 0 HB VAL A 32 -6.331 -1.850 0.798 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -3.919 -2.139 0.287 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -4.896 -3.492 -0.330 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -4.316 -2.232 -1.445 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -4.824 0.062 0.468 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -5.230 0.068 -1.264 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -6.488 0.417 -0.055 1.00 0.00 H new ATOM 474 N THR A 33 -8.439 -3.597 0.008 1.00 0.00 N ATOM 475 CA THR A 33 -9.024 -4.890 0.354 1.00 0.00 C ATOM 476 C THR A 33 -9.795 -5.479 -0.848 1.00 0.00 C ATOM 477 O THR A 33 -9.860 -6.697 -1.024 1.00 0.00 O ATOM 478 CB THR A 33 -9.951 -4.758 1.597 1.00 0.00 C ATOM 479 OG1 THR A 33 -9.183 -4.269 2.709 1.00 0.00 O ATOM 480 CG2 THR A 33 -10.592 -6.084 1.979 1.00 0.00 C ATOM 0 H THR A 33 -8.810 -2.815 0.547 1.00 0.00 H new ATOM 0 HA THR A 33 -8.215 -5.576 0.606 1.00 0.00 H new ATOM 0 HB THR A 33 -10.751 -4.063 1.342 1.00 0.00 H new ATOM 0 HG1 THR A 33 -8.905 -3.346 2.534 1.00 0.00 H new ATOM 0 HG21 THR A 33 -11.230 -5.942 2.851 1.00 0.00 H new ATOM 0 HG22 THR A 33 -11.192 -6.451 1.147 1.00 0.00 H new ATOM 0 HG23 THR A 33 -9.814 -6.810 2.213 1.00 0.00 H new ATOM 488 N ALA A 34 -10.319 -4.609 -1.701 1.00 0.00 N ATOM 489 CA ALA A 34 -11.035 -5.044 -2.893 1.00 0.00 C ATOM 490 C ALA A 34 -10.076 -5.676 -3.892 1.00 0.00 C ATOM 491 O ALA A 34 -10.467 -6.528 -4.694 1.00 0.00 O ATOM 492 CB ALA A 34 -11.784 -3.881 -3.535 1.00 0.00 C ATOM 0 H ALA A 34 -10.262 -3.597 -1.590 1.00 0.00 H new ATOM 0 HA ALA A 34 -11.767 -5.794 -2.592 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -12.310 -4.233 -4.423 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -12.503 -3.475 -2.824 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -11.075 -3.103 -3.818 1.00 0.00 H new ATOM 498 N VAL A 35 -8.827 -5.254 -3.846 1.00 0.00 N ATOM 499 CA VAL A 35 -7.811 -5.812 -4.723 1.00 0.00 C ATOM 500 C VAL A 35 -7.095 -7.013 -4.077 1.00 0.00 C ATOM 501 O VAL A 35 -6.992 -8.078 -4.675 1.00 0.00 O ATOM 502 CB VAL A 35 -6.760 -4.740 -5.126 1.00 0.00 C ATOM 503 CG1 VAL A 35 -5.673 -5.333 -6.022 1.00 0.00 C ATOM 504 CG2 VAL A 35 -7.428 -3.574 -5.828 1.00 0.00 C ATOM 0 H VAL A 35 -8.490 -4.529 -3.213 1.00 0.00 H new ATOM 0 HA VAL A 35 -8.329 -6.156 -5.618 1.00 0.00 H new ATOM 0 HB VAL A 35 -6.290 -4.382 -4.210 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -4.955 -4.557 -6.285 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -5.161 -6.136 -5.491 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -6.127 -5.730 -6.930 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -6.675 -2.835 -6.102 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -7.931 -3.930 -6.727 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -8.159 -3.118 -5.160 1.00 0.00 H new ATOM 514 N VAL A 36 -6.630 -6.845 -2.853 1.00 0.00 N ATOM 515 CA VAL A 36 -5.785 -7.875 -2.226 1.00 0.00 C ATOM 516 C VAL A 36 -6.562 -8.938 -1.453 1.00 0.00 C ATOM 517 O VAL A 36 -5.979 -9.903 -0.952 1.00 0.00 O ATOM 518 CB VAL A 36 -4.698 -7.275 -1.307 1.00 0.00 C ATOM 519 CG1 VAL A 36 -3.798 -6.323 -2.082 1.00 0.00 C ATOM 520 CG2 VAL A 36 -5.312 -6.593 -0.089 1.00 0.00 C ATOM 0 H VAL A 36 -6.812 -6.026 -2.273 1.00 0.00 H new ATOM 0 HA VAL A 36 -5.309 -8.367 -3.074 1.00 0.00 H new ATOM 0 HB VAL A 36 -4.081 -8.095 -0.941 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -3.041 -5.913 -1.414 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -3.311 -6.863 -2.894 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -4.397 -5.510 -2.494 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -4.519 -6.182 0.536 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -5.970 -5.788 -0.416 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -5.886 -7.321 0.485 1.00 0.00 H new ATOM 530 N GLY A 37 -7.838 -8.764 -1.322 1.00 0.00 N ATOM 531 CA GLY A 37 -8.640 -9.736 -0.619 1.00 0.00 C ATOM 532 C GLY A 37 -8.964 -9.301 0.775 1.00 0.00 C ATOM 533 O GLY A 37 -10.128 -9.242 1.161 1.00 0.00 O ATOM 0 H GLY A 37 -8.354 -7.964 -1.688 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -9.566 -9.906 -1.169 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -8.109 -10.687 -0.587 1.00 0.00 H new ATOM 537 N GLY A 38 -7.946 -8.990 1.511 1.00 0.00 N ATOM 538 CA GLY A 38 -8.111 -8.521 2.862 1.00 0.00 C ATOM 539 C GLY A 38 -7.096 -9.110 3.809 1.00 0.00 C ATOM 540 O GLY A 38 -6.362 -10.031 3.451 1.00 0.00 O ATOM 0 H GLY A 38 -6.977 -9.051 1.200 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -8.029 -7.434 2.878 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -9.114 -8.770 3.209 1.00 0.00 H new ATOM 544 N GLY A 39 -6.978 -8.518 4.979 1.00 0.00 N ATOM 545 CA GLY A 39 -6.128 -9.054 6.031 1.00 0.00 C ATOM 546 C GLY A 39 -4.697 -8.605 5.910 1.00 0.00 C ATOM 547 O GLY A 39 -3.918 -8.684 6.864 1.00 0.00 O ATOM 0 H GLY A 39 -7.464 -7.657 5.231 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -6.520 -8.746 7.000 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -6.166 -10.143 6.003 1.00 0.00 H new ATOM 551 N LEU A 40 -4.352 -8.151 4.749 1.00 0.00 N ATOM 552 CA LEU A 40 -3.016 -7.694 4.467 1.00 0.00 C ATOM 553 C LEU A 40 -2.867 -6.218 4.786 1.00 0.00 C ATOM 554 O LEU A 40 -2.343 -5.841 5.846 1.00 0.00 O ATOM 555 CB LEU A 40 -2.674 -7.967 3.010 1.00 0.00 C ATOM 556 CG LEU A 40 -2.604 -9.429 2.602 1.00 0.00 C ATOM 557 CD1 LEU A 40 -2.390 -9.540 1.114 1.00 0.00 C ATOM 558 CD2 LEU A 40 -1.490 -10.138 3.351 1.00 0.00 C ATOM 0 H LEU A 40 -4.991 -8.083 3.957 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.320 -8.242 5.102 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -3.417 -7.472 2.385 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.712 -7.503 2.791 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.549 -9.909 2.858 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.341 -10.591 0.831 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.218 -9.061 0.591 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.456 -9.048 0.843 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.455 -11.184 3.046 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.537 -9.661 3.122 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.677 -10.079 4.423 1.00 0.00 H new ATOM 570 N ILE A 41 -3.355 -5.386 3.903 1.00 0.00 N ATOM 571 CA ILE A 41 -3.258 -3.978 4.096 1.00 0.00 C ATOM 572 C ILE A 41 -4.367 -3.535 5.008 1.00 0.00 C ATOM 573 O ILE A 41 -5.521 -3.391 4.594 1.00 0.00 O ATOM 574 CB ILE A 41 -3.257 -3.132 2.772 1.00 0.00 C ATOM 575 CG1 ILE A 41 -2.099 -3.530 1.837 1.00 0.00 C ATOM 576 CG2 ILE A 41 -3.163 -1.646 3.085 1.00 0.00 C ATOM 577 CD1 ILE A 41 -2.311 -4.802 1.051 1.00 0.00 C ATOM 0 H ILE A 41 -3.824 -5.669 3.042 1.00 0.00 H new ATOM 0 HA ILE A 41 -2.283 -3.790 4.545 1.00 0.00 H new ATOM 0 HB ILE A 41 -4.197 -3.340 2.261 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -1.924 -2.714 1.136 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -1.193 -3.638 2.434 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -3.164 -1.078 2.155 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -4.017 -1.348 3.693 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -2.241 -1.447 3.631 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.439 -4.992 0.425 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -2.453 -5.635 1.739 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -3.194 -4.697 0.421 1.00 0.00 H new ATOM 589 N THR A 42 -4.020 -3.424 6.240 1.00 0.00 N ATOM 590 CA THR A 42 -4.897 -2.992 7.271 1.00 0.00 C ATOM 591 C THR A 42 -4.685 -1.498 7.498 1.00 0.00 C ATOM 592 O THR A 42 -3.870 -0.878 6.790 1.00 0.00 O ATOM 593 CB THR A 42 -4.525 -3.758 8.543 1.00 0.00 C ATOM 594 OG1 THR A 42 -3.102 -3.641 8.739 1.00 0.00 O ATOM 595 CG2 THR A 42 -4.895 -5.227 8.416 1.00 0.00 C ATOM 0 H THR A 42 -3.080 -3.640 6.572 1.00 0.00 H new ATOM 0 HA THR A 42 -5.939 -3.174 7.006 1.00 0.00 H new ATOM 0 HB THR A 42 -5.070 -3.340 9.389 1.00 0.00 H new ATOM 0 HG1 THR A 42 -2.843 -4.124 9.551 1.00 0.00 H new ATOM 0 HG21 THR A 42 -4.621 -5.752 9.331 1.00 0.00 H new ATOM 0 HG22 THR A 42 -5.969 -5.319 8.252 1.00 0.00 H new ATOM 0 HG23 THR A 42 -4.360 -5.665 7.573 1.00 0.00 H new ATOM 603 N ALA A 43 -5.376 -0.927 8.479 1.00 0.00 N ATOM 604 CA ALA A 43 -5.254 0.498 8.801 1.00 0.00 C ATOM 605 C ALA A 43 -3.803 0.859 9.098 1.00 0.00 C ATOM 606 O ALA A 43 -3.298 1.895 8.653 1.00 0.00 O ATOM 607 CB ALA A 43 -6.144 0.853 9.987 1.00 0.00 C ATOM 0 H ALA A 43 -6.034 -1.432 9.073 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.581 1.075 7.936 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -6.042 1.914 10.214 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -7.183 0.633 9.741 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -5.844 0.266 10.855 1.00 0.00 H new ATOM 613 N GLY A 44 -3.132 -0.034 9.802 1.00 0.00 N ATOM 614 CA GLY A 44 -1.750 0.150 10.146 1.00 0.00 C ATOM 615 C GLY A 44 -0.850 0.117 8.946 1.00 0.00 C ATOM 616 O GLY A 44 0.110 0.892 8.865 1.00 0.00 O ATOM 0 H GLY A 44 -3.537 -0.904 10.147 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -1.631 1.104 10.660 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -1.446 -0.629 10.846 1.00 0.00 H new ATOM 620 N ILE A 45 -1.169 -0.731 7.983 1.00 0.00 N ATOM 621 CA ILE A 45 -0.356 -0.833 6.796 1.00 0.00 C ATOM 622 C ILE A 45 -0.552 0.410 5.944 1.00 0.00 C ATOM 623 O ILE A 45 0.420 0.976 5.450 1.00 0.00 O ATOM 624 CB ILE A 45 -0.656 -2.121 5.981 1.00 0.00 C ATOM 625 CG1 ILE A 45 -0.394 -3.375 6.834 1.00 0.00 C ATOM 626 CG2 ILE A 45 0.179 -2.174 4.700 1.00 0.00 C ATOM 627 CD1 ILE A 45 1.043 -3.530 7.313 1.00 0.00 C ATOM 0 H ILE A 45 -1.979 -1.351 8.004 1.00 0.00 H new ATOM 0 HA ILE A 45 0.687 -0.903 7.105 1.00 0.00 H new ATOM 0 HB ILE A 45 -1.709 -2.098 5.701 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -1.052 -3.351 7.703 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -0.666 -4.256 6.253 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -0.053 -3.087 4.152 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -0.052 -1.309 4.079 1.00 0.00 H new ATOM 0 HG23 ILE A 45 1.239 -2.164 4.956 1.00 0.00 H new ATOM 0 HD11 ILE A 45 1.133 -4.440 7.906 1.00 0.00 H new ATOM 0 HD12 ILE A 45 1.709 -3.590 6.452 1.00 0.00 H new ATOM 0 HD13 ILE A 45 1.317 -2.670 7.925 1.00 0.00 H new ATOM 639 N VAL A 46 -1.807 0.861 5.834 1.00 0.00 N ATOM 640 CA VAL A 46 -2.133 2.081 5.096 1.00 0.00 C ATOM 641 C VAL A 46 -1.357 3.260 5.684 1.00 0.00 C ATOM 642 O VAL A 46 -0.647 3.961 4.968 1.00 0.00 O ATOM 643 CB VAL A 46 -3.664 2.413 5.136 1.00 0.00 C ATOM 644 CG1 VAL A 46 -3.964 3.724 4.415 1.00 0.00 C ATOM 645 CG2 VAL A 46 -4.478 1.298 4.518 1.00 0.00 C ATOM 0 H VAL A 46 -2.614 0.396 6.249 1.00 0.00 H new ATOM 0 HA VAL A 46 -1.853 1.912 4.056 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.944 2.517 6.184 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -5.034 3.927 4.460 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.420 4.537 4.896 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -3.653 3.646 3.373 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -5.537 1.555 4.559 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -4.178 1.161 3.479 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -4.307 0.374 5.070 1.00 0.00 H new ATOM 655 N ALA A 47 -1.463 3.429 7.000 1.00 0.00 N ATOM 656 CA ALA A 47 -0.803 4.522 7.706 1.00 0.00 C ATOM 657 C ALA A 47 0.719 4.459 7.556 1.00 0.00 C ATOM 658 O ALA A 47 1.372 5.494 7.314 1.00 0.00 O ATOM 659 CB ALA A 47 -1.200 4.522 9.173 1.00 0.00 C ATOM 0 H ALA A 47 -2.007 2.814 7.605 1.00 0.00 H new ATOM 0 HA ALA A 47 -1.135 5.456 7.253 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -0.699 5.343 9.685 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -2.280 4.646 9.258 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -0.906 3.577 9.629 1.00 0.00 H new ATOM 665 N THR A 48 1.275 3.257 7.670 1.00 0.00 N ATOM 666 CA THR A 48 2.704 3.062 7.526 1.00 0.00 C ATOM 667 C THR A 48 3.148 3.388 6.092 1.00 0.00 C ATOM 668 O THR A 48 4.071 4.183 5.889 1.00 0.00 O ATOM 669 CB THR A 48 3.125 1.611 7.898 1.00 0.00 C ATOM 670 OG1 THR A 48 2.724 1.312 9.254 1.00 0.00 O ATOM 671 CG2 THR A 48 4.632 1.438 7.784 1.00 0.00 C ATOM 0 H THR A 48 0.751 2.403 7.862 1.00 0.00 H new ATOM 0 HA THR A 48 3.200 3.743 8.218 1.00 0.00 H new ATOM 0 HB THR A 48 2.633 0.930 7.204 1.00 0.00 H new ATOM 0 HG1 THR A 48 1.748 1.241 9.298 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.902 0.416 8.049 1.00 0.00 H new ATOM 0 HG22 THR A 48 4.945 1.642 6.760 1.00 0.00 H new ATOM 0 HG23 THR A 48 5.130 2.132 8.461 1.00 0.00 H new ATOM 679 N ALA A 49 2.452 2.816 5.113 1.00 0.00 N ATOM 680 CA ALA A 49 2.767 3.016 3.710 1.00 0.00 C ATOM 681 C ALA A 49 2.659 4.488 3.328 1.00 0.00 C ATOM 682 O ALA A 49 3.491 4.995 2.593 1.00 0.00 O ATOM 683 CB ALA A 49 1.881 2.148 2.837 1.00 0.00 C ATOM 0 H ALA A 49 1.654 2.201 5.275 1.00 0.00 H new ATOM 0 HA ALA A 49 3.801 2.713 3.544 1.00 0.00 H new ATOM 0 HB1 ALA A 49 2.131 2.311 1.789 1.00 0.00 H new ATOM 0 HB2 ALA A 49 2.038 1.099 3.089 1.00 0.00 H new ATOM 0 HB3 ALA A 49 0.836 2.409 3.005 1.00 0.00 H new ATOM 689 N LYS A 50 1.644 5.167 3.868 1.00 0.00 N ATOM 690 CA LYS A 50 1.467 6.617 3.691 1.00 0.00 C ATOM 691 C LYS A 50 2.710 7.378 4.127 1.00 0.00 C ATOM 692 O LYS A 50 3.156 8.324 3.452 1.00 0.00 O ATOM 693 CB LYS A 50 0.273 7.117 4.510 1.00 0.00 C ATOM 694 CG LYS A 50 -1.095 6.896 3.890 1.00 0.00 C ATOM 695 CD LYS A 50 -1.315 7.817 2.700 1.00 0.00 C ATOM 696 CE LYS A 50 -2.736 7.716 2.193 1.00 0.00 C ATOM 697 NZ LYS A 50 -3.009 8.682 1.107 1.00 0.00 N ATOM 0 H LYS A 50 0.921 4.731 4.440 1.00 0.00 H new ATOM 0 HA LYS A 50 1.289 6.796 2.631 1.00 0.00 H new ATOM 0 HB2 LYS A 50 0.293 6.626 5.483 1.00 0.00 H new ATOM 0 HB3 LYS A 50 0.401 8.185 4.689 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -1.190 5.858 3.572 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -1.869 7.072 4.637 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -1.100 8.846 2.987 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -0.621 7.557 1.901 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -2.921 6.704 1.832 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -3.428 7.892 3.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -4.035 8.826 1.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -2.550 9.589 1.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -2.634 8.312 0.210 1.00 0.00 H new ATOM 711 N SER A 51 3.269 6.973 5.235 1.00 0.00 N ATOM 712 CA SER A 51 4.430 7.622 5.754 1.00 0.00 C ATOM 713 C SER A 51 5.628 7.288 4.875 1.00 0.00 C ATOM 714 O SER A 51 6.356 8.182 4.458 1.00 0.00 O ATOM 715 CB SER A 51 4.668 7.210 7.214 1.00 0.00 C ATOM 716 OG SER A 51 5.637 8.031 7.843 1.00 0.00 O ATOM 0 H SER A 51 2.932 6.190 5.795 1.00 0.00 H new ATOM 0 HA SER A 51 4.283 8.702 5.742 1.00 0.00 H new ATOM 0 HB2 SER A 51 3.730 7.268 7.765 1.00 0.00 H new ATOM 0 HB3 SER A 51 4.994 6.171 7.249 1.00 0.00 H new ATOM 0 HG SER A 51 5.760 7.740 8.771 1.00 0.00 H new ATOM 722 N LEU A 52 5.777 6.011 4.533 1.00 0.00 N ATOM 723 CA LEU A 52 6.895 5.538 3.728 1.00 0.00 C ATOM 724 C LEU A 52 6.913 6.193 2.354 1.00 0.00 C ATOM 725 O LEU A 52 7.973 6.566 1.871 1.00 0.00 O ATOM 726 CB LEU A 52 6.855 4.028 3.578 1.00 0.00 C ATOM 727 CG LEU A 52 6.800 3.229 4.873 1.00 0.00 C ATOM 728 CD1 LEU A 52 6.627 1.780 4.566 1.00 0.00 C ATOM 729 CD2 LEU A 52 8.044 3.446 5.717 1.00 0.00 C ATOM 0 H LEU A 52 5.125 5.276 4.807 1.00 0.00 H new ATOM 0 HA LEU A 52 7.809 5.818 4.252 1.00 0.00 H new ATOM 0 HB2 LEU A 52 5.985 3.766 2.975 1.00 0.00 H new ATOM 0 HB3 LEU A 52 7.737 3.715 3.019 1.00 0.00 H new ATOM 0 HG LEU A 52 5.946 3.580 5.452 1.00 0.00 H new ATOM 0 HD11 LEU A 52 6.588 1.213 5.496 1.00 0.00 H new ATOM 0 HD12 LEU A 52 5.699 1.634 4.013 1.00 0.00 H new ATOM 0 HD13 LEU A 52 7.467 1.433 3.964 1.00 0.00 H new ATOM 0 HD21 LEU A 52 7.969 2.860 6.633 1.00 0.00 H new ATOM 0 HD22 LEU A 52 8.924 3.131 5.156 1.00 0.00 H new ATOM 0 HD23 LEU A 52 8.133 4.503 5.969 1.00 0.00 H new ATOM 741 N ILE A 53 5.743 6.357 1.733 1.00 0.00 N ATOM 742 CA ILE A 53 5.674 7.013 0.426 1.00 0.00 C ATOM 743 C ILE A 53 5.974 8.495 0.559 1.00 0.00 C ATOM 744 O ILE A 53 6.478 9.117 -0.376 1.00 0.00 O ATOM 745 CB ILE A 53 4.312 6.816 -0.333 1.00 0.00 C ATOM 746 CG1 ILE A 53 3.135 7.468 0.415 1.00 0.00 C ATOM 747 CG2 ILE A 53 4.042 5.340 -0.572 1.00 0.00 C ATOM 748 CD1 ILE A 53 1.798 7.365 -0.303 1.00 0.00 C ATOM 0 H ILE A 53 4.845 6.050 2.106 1.00 0.00 H new ATOM 0 HA ILE A 53 6.434 6.521 -0.182 1.00 0.00 H new ATOM 0 HB ILE A 53 4.402 7.318 -1.297 1.00 0.00 H new ATOM 0 HG12 ILE A 53 3.043 7.004 1.397 1.00 0.00 H new ATOM 0 HG13 ILE A 53 3.364 8.521 0.581 1.00 0.00 H new ATOM 0 HG21 ILE A 53 3.095 5.224 -1.099 1.00 0.00 H new ATOM 0 HG22 ILE A 53 4.846 4.916 -1.174 1.00 0.00 H new ATOM 0 HG23 ILE A 53 3.991 4.820 0.385 1.00 0.00 H new ATOM 0 HD11 ILE A 53 1.026 7.850 0.294 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.868 7.856 -1.274 1.00 0.00 H new ATOM 0 HD13 ILE A 53 1.541 6.315 -0.445 1.00 0.00 H new ATOM 760 N LYS A 54 5.691 9.057 1.724 1.00 0.00 N ATOM 761 CA LYS A 54 5.952 10.452 1.952 1.00 0.00 C ATOM 762 C LYS A 54 7.456 10.690 2.146 1.00 0.00 C ATOM 763 O LYS A 54 8.009 11.616 1.581 1.00 0.00 O ATOM 764 CB LYS A 54 5.158 10.954 3.156 1.00 0.00 C ATOM 765 CG LYS A 54 5.223 12.460 3.373 1.00 0.00 C ATOM 766 CD LYS A 54 4.416 12.886 4.591 1.00 0.00 C ATOM 767 CE LYS A 54 5.014 12.343 5.877 1.00 0.00 C ATOM 768 NZ LYS A 54 4.221 12.717 7.055 1.00 0.00 N ATOM 0 H LYS A 54 5.282 8.563 2.517 1.00 0.00 H new ATOM 0 HA LYS A 54 5.630 11.016 1.076 1.00 0.00 H new ATOM 0 HB2 LYS A 54 4.115 10.662 3.034 1.00 0.00 H new ATOM 0 HB3 LYS A 54 5.527 10.454 4.052 1.00 0.00 H new ATOM 0 HG2 LYS A 54 6.262 12.765 3.499 1.00 0.00 H new ATOM 0 HG3 LYS A 54 4.845 12.972 2.488 1.00 0.00 H new ATOM 0 HD2 LYS A 54 4.376 13.974 4.639 1.00 0.00 H new ATOM 0 HD3 LYS A 54 3.390 12.534 4.489 1.00 0.00 H new ATOM 0 HE2 LYS A 54 5.081 11.257 5.815 1.00 0.00 H new ATOM 0 HE3 LYS A 54 6.031 12.719 5.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 4.665 12.326 7.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 4.178 13.753 7.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 3.258 12.337 6.960 1.00 0.00 H new ATOM 782 N LYS A 55 8.109 9.826 2.915 1.00 0.00 N ATOM 783 CA LYS A 55 9.541 9.977 3.197 1.00 0.00 C ATOM 784 C LYS A 55 10.428 9.366 2.124 1.00 0.00 C ATOM 785 O LYS A 55 11.259 10.045 1.523 1.00 0.00 O ATOM 786 CB LYS A 55 9.913 9.417 4.598 1.00 0.00 C ATOM 787 CG LYS A 55 9.289 8.072 4.941 1.00 0.00 C ATOM 788 CD LYS A 55 9.485 7.667 6.399 1.00 0.00 C ATOM 789 CE LYS A 55 8.758 8.592 7.360 1.00 0.00 C ATOM 790 NZ LYS A 55 8.837 8.107 8.754 1.00 0.00 N ATOM 0 H LYS A 55 7.676 9.014 3.355 1.00 0.00 H new ATOM 0 HA LYS A 55 9.731 11.050 3.193 1.00 0.00 H new ATOM 0 HB2 LYS A 55 10.997 9.323 4.659 1.00 0.00 H new ATOM 0 HB3 LYS A 55 9.613 10.143 5.354 1.00 0.00 H new ATOM 0 HG2 LYS A 55 8.222 8.109 4.722 1.00 0.00 H new ATOM 0 HG3 LYS A 55 9.720 7.305 4.298 1.00 0.00 H new ATOM 0 HD2 LYS A 55 9.128 6.647 6.541 1.00 0.00 H new ATOM 0 HD3 LYS A 55 10.549 7.668 6.633 1.00 0.00 H new ATOM 0 HE2 LYS A 55 9.188 9.592 7.298 1.00 0.00 H new ATOM 0 HE3 LYS A 55 7.713 8.676 7.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 8.329 8.765 9.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 8.404 7.164 8.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 9.834 8.051 9.046 1.00 0.00 H new ATOM 804 N TYR A 56 10.243 8.104 1.878 1.00 0.00 N ATOM 805 CA TYR A 56 11.103 7.366 0.988 1.00 0.00 C ATOM 806 C TYR A 56 10.557 7.386 -0.423 1.00 0.00 C ATOM 807 O TYR A 56 11.299 7.630 -1.375 1.00 0.00 O ATOM 808 CB TYR A 56 11.250 5.937 1.505 1.00 0.00 C ATOM 809 CG TYR A 56 11.596 5.877 2.977 1.00 0.00 C ATOM 810 CD1 TYR A 56 12.608 6.658 3.516 1.00 0.00 C ATOM 811 CD2 TYR A 56 10.920 5.025 3.813 1.00 0.00 C ATOM 812 CE1 TYR A 56 12.932 6.581 4.848 1.00 0.00 C ATOM 813 CE2 TYR A 56 11.231 4.940 5.149 1.00 0.00 C ATOM 814 CZ TYR A 56 12.240 5.718 5.663 1.00 0.00 C ATOM 815 OH TYR A 56 12.558 5.626 7.001 1.00 0.00 O ATOM 0 H TYR A 56 9.490 7.551 2.288 1.00 0.00 H new ATOM 0 HA TYR A 56 12.087 7.835 0.961 1.00 0.00 H new ATOM 0 HB2 TYR A 56 10.319 5.396 1.333 1.00 0.00 H new ATOM 0 HB3 TYR A 56 12.025 5.427 0.933 1.00 0.00 H new ATOM 0 HD1 TYR A 56 13.151 7.339 2.877 1.00 0.00 H new ATOM 0 HD2 TYR A 56 10.128 4.409 3.414 1.00 0.00 H new ATOM 0 HE1 TYR A 56 13.724 7.194 5.252 1.00 0.00 H new ATOM 0 HE2 TYR A 56 10.685 4.265 5.792 1.00 0.00 H new ATOM 0 HH TYR A 56 11.971 4.970 7.432 1.00 0.00 H new ATOM 825 N GLY A 57 9.270 7.182 -0.551 1.00 0.00 N ATOM 826 CA GLY A 57 8.655 7.226 -1.848 1.00 0.00 C ATOM 827 C GLY A 57 7.813 6.005 -2.167 1.00 0.00 C ATOM 828 O GLY A 57 7.807 5.008 -1.422 1.00 0.00 O ATOM 0 H GLY A 57 8.634 6.985 0.222 1.00 0.00 H new ATOM 0 HA2 GLY A 57 8.028 8.115 -1.913 1.00 0.00 H new ATOM 0 HA3 GLY A 57 9.432 7.328 -2.605 1.00 0.00 H new ATOM 832 N ALA A 58 7.110 6.096 -3.275 1.00 0.00 N ATOM 833 CA ALA A 58 6.171 5.085 -3.743 1.00 0.00 C ATOM 834 C ALA A 58 6.862 3.812 -4.216 1.00 0.00 C ATOM 835 O ALA A 58 6.288 2.719 -4.146 1.00 0.00 O ATOM 836 CB ALA A 58 5.302 5.666 -4.848 1.00 0.00 C ATOM 0 H ALA A 58 7.174 6.900 -3.899 1.00 0.00 H new ATOM 0 HA ALA A 58 5.547 4.800 -2.896 1.00 0.00 H new ATOM 0 HB1 ALA A 58 4.601 4.908 -5.196 1.00 0.00 H new ATOM 0 HB2 ALA A 58 4.749 6.523 -4.463 1.00 0.00 H new ATOM 0 HB3 ALA A 58 5.933 5.985 -5.678 1.00 0.00 H new ATOM 842 N LYS A 59 8.079 3.937 -4.687 1.00 0.00 N ATOM 843 CA LYS A 59 8.823 2.779 -5.154 1.00 0.00 C ATOM 844 C LYS A 59 9.318 1.972 -3.951 1.00 0.00 C ATOM 845 O LYS A 59 9.340 0.721 -3.970 1.00 0.00 O ATOM 846 CB LYS A 59 9.997 3.206 -6.046 1.00 0.00 C ATOM 847 CG LYS A 59 10.828 2.048 -6.539 1.00 0.00 C ATOM 848 CD LYS A 59 12.042 2.499 -7.312 1.00 0.00 C ATOM 849 CE LYS A 59 12.892 1.305 -7.717 1.00 0.00 C ATOM 850 NZ LYS A 59 13.377 0.545 -6.541 1.00 0.00 N ATOM 0 H LYS A 59 8.579 4.823 -4.759 1.00 0.00 H new ATOM 0 HA LYS A 59 8.164 2.153 -5.755 1.00 0.00 H new ATOM 0 HB2 LYS A 59 9.610 3.757 -6.903 1.00 0.00 H new ATOM 0 HB3 LYS A 59 10.636 3.891 -5.489 1.00 0.00 H new ATOM 0 HG2 LYS A 59 11.146 1.444 -5.689 1.00 0.00 H new ATOM 0 HG3 LYS A 59 10.214 1.408 -7.173 1.00 0.00 H new ATOM 0 HD2 LYS A 59 11.731 3.049 -8.200 1.00 0.00 H new ATOM 0 HD3 LYS A 59 12.633 3.184 -6.704 1.00 0.00 H new ATOM 0 HE2 LYS A 59 12.308 0.646 -8.359 1.00 0.00 H new ATOM 0 HE3 LYS A 59 13.744 1.649 -8.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 14.199 -0.030 -6.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 13.653 1.208 -5.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 12.620 -0.077 -6.193 1.00 0.00 H new ATOM 864 N TYR A 60 9.644 2.695 -2.886 1.00 0.00 N ATOM 865 CA TYR A 60 10.126 2.102 -1.667 1.00 0.00 C ATOM 866 C TYR A 60 9.033 1.274 -1.063 1.00 0.00 C ATOM 867 O TYR A 60 9.224 0.104 -0.736 1.00 0.00 O ATOM 868 CB TYR A 60 10.561 3.192 -0.661 1.00 0.00 C ATOM 869 CG TYR A 60 10.926 2.640 0.711 1.00 0.00 C ATOM 870 CD1 TYR A 60 9.948 2.421 1.677 1.00 0.00 C ATOM 871 CD2 TYR A 60 12.224 2.303 1.016 1.00 0.00 C ATOM 872 CE1 TYR A 60 10.255 1.873 2.896 1.00 0.00 C ATOM 873 CE2 TYR A 60 12.549 1.763 2.245 1.00 0.00 C ATOM 874 CZ TYR A 60 11.555 1.545 3.180 1.00 0.00 C ATOM 875 OH TYR A 60 11.864 0.984 4.404 1.00 0.00 O ATOM 0 H TYR A 60 9.577 3.712 -2.854 1.00 0.00 H new ATOM 0 HA TYR A 60 10.991 1.479 -1.895 1.00 0.00 H new ATOM 0 HB2 TYR A 60 11.418 3.730 -1.067 1.00 0.00 H new ATOM 0 HB3 TYR A 60 9.754 3.916 -0.550 1.00 0.00 H new ATOM 0 HD1 TYR A 60 8.924 2.689 1.462 1.00 0.00 H new ATOM 0 HD2 TYR A 60 13.001 2.463 0.283 1.00 0.00 H new ATOM 0 HE1 TYR A 60 9.478 1.701 3.627 1.00 0.00 H new ATOM 0 HE2 TYR A 60 13.574 1.513 2.474 1.00 0.00 H new ATOM 0 HH TYR A 60 12.827 0.809 4.450 1.00 0.00 H new ATOM 885 N ALA A 61 7.878 1.890 -0.937 1.00 0.00 N ATOM 886 CA ALA A 61 6.753 1.262 -0.315 1.00 0.00 C ATOM 887 C ALA A 61 6.305 0.054 -1.084 1.00 0.00 C ATOM 888 O ALA A 61 5.862 -0.898 -0.494 1.00 0.00 O ATOM 889 CB ALA A 61 5.632 2.228 -0.155 1.00 0.00 C ATOM 0 H ALA A 61 7.701 2.839 -1.265 1.00 0.00 H new ATOM 0 HA ALA A 61 7.066 0.929 0.675 1.00 0.00 H new ATOM 0 HB1 ALA A 61 4.787 1.729 0.320 1.00 0.00 H new ATOM 0 HB2 ALA A 61 5.957 3.063 0.466 1.00 0.00 H new ATOM 0 HB3 ALA A 61 5.330 2.600 -1.134 1.00 0.00 H new ATOM 895 N ALA A 62 6.451 0.090 -2.398 1.00 0.00 N ATOM 896 CA ALA A 62 6.090 -1.039 -3.240 1.00 0.00 C ATOM 897 C ALA A 62 6.915 -2.266 -2.858 1.00 0.00 C ATOM 898 O ALA A 62 6.378 -3.378 -2.684 1.00 0.00 O ATOM 899 CB ALA A 62 6.288 -0.691 -4.699 1.00 0.00 C ATOM 0 H ALA A 62 6.819 0.893 -2.907 1.00 0.00 H new ATOM 0 HA ALA A 62 5.036 -1.272 -3.085 1.00 0.00 H new ATOM 0 HB1 ALA A 62 6.014 -1.546 -5.317 1.00 0.00 H new ATOM 0 HB2 ALA A 62 5.660 0.161 -4.958 1.00 0.00 H new ATOM 0 HB3 ALA A 62 7.334 -0.437 -4.874 1.00 0.00 H new ATOM 905 N ALA A 63 8.207 -2.053 -2.672 1.00 0.00 N ATOM 906 CA ALA A 63 9.103 -3.118 -2.267 1.00 0.00 C ATOM 907 C ALA A 63 8.810 -3.533 -0.822 1.00 0.00 C ATOM 908 O ALA A 63 8.780 -4.726 -0.501 1.00 0.00 O ATOM 909 CB ALA A 63 10.551 -2.685 -2.427 1.00 0.00 C ATOM 0 H ALA A 63 8.658 -1.147 -2.796 1.00 0.00 H new ATOM 0 HA ALA A 63 8.938 -3.981 -2.911 1.00 0.00 H new ATOM 0 HB1 ALA A 63 11.210 -3.497 -2.118 1.00 0.00 H new ATOM 0 HB2 ALA A 63 10.744 -2.438 -3.471 1.00 0.00 H new ATOM 0 HB3 ALA A 63 10.739 -1.809 -1.806 1.00 0.00 H new ATOM 915 N TRP A 64 8.573 -2.546 0.031 1.00 0.00 N ATOM 916 CA TRP A 64 8.248 -2.770 1.437 1.00 0.00 C ATOM 917 C TRP A 64 6.977 -3.609 1.576 1.00 0.00 C ATOM 918 O TRP A 64 6.961 -4.607 2.308 1.00 0.00 O ATOM 919 CB TRP A 64 8.086 -1.425 2.175 1.00 0.00 C ATOM 920 CG TRP A 64 7.712 -1.561 3.626 1.00 0.00 C ATOM 921 CD1 TRP A 64 8.563 -1.671 4.681 1.00 0.00 C ATOM 922 CD2 TRP A 64 6.381 -1.598 4.178 1.00 0.00 C ATOM 923 NE1 TRP A 64 7.849 -1.777 5.852 1.00 0.00 N ATOM 924 CE2 TRP A 64 6.509 -1.735 5.567 1.00 0.00 C ATOM 925 CE3 TRP A 64 5.099 -1.528 3.627 1.00 0.00 C ATOM 926 CZ2 TRP A 64 5.403 -1.806 6.411 1.00 0.00 C ATOM 927 CZ3 TRP A 64 4.011 -1.596 4.467 1.00 0.00 C ATOM 928 CH2 TRP A 64 4.166 -1.733 5.839 1.00 0.00 C ATOM 0 H TRP A 64 8.600 -1.561 -0.232 1.00 0.00 H new ATOM 0 HA TRP A 64 9.072 -3.320 1.891 1.00 0.00 H new ATOM 0 HB2 TRP A 64 9.020 -0.868 2.102 1.00 0.00 H new ATOM 0 HB3 TRP A 64 7.323 -0.834 1.668 1.00 0.00 H new ATOM 0 HD1 TRP A 64 9.641 -1.675 4.610 1.00 0.00 H new ATOM 0 HE1 TRP A 64 8.253 -1.872 6.784 1.00 0.00 H new ATOM 0 HE3 TRP A 64 4.964 -1.422 2.561 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 5.520 -1.915 7.479 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 3.016 -1.542 4.050 1.00 0.00 H new ATOM 0 HH2 TRP A 64 3.289 -1.783 6.468 1.00 0.00 H new TER 939 TRP A 64