USER MOD reduce.3.24.130724 H: found=0, std=0, add=523, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 525 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: p 11 ASN : amide:sc= -1.39 K(o=-2.7,f=-0.97) USER MOD Set 1.2: p 71 ASN : amide:sc= -1.33 K(o=-2.7,f=-0.1) USER MOD Set 2.1: p 20 LYS NZ :NH3+ 149:sc= -0.613 (180deg=0) USER MOD Set 2.2: p 27 LYS NZ :NH3+ 177:sc= -0.6 (180deg=0) USER MOD Single : p 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : p 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : p 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : p 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : p 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : p 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : p 55 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00149) USER MOD Single : p 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : p 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : p 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : p 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : p 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : p 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : p 69 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0407) USER MOD Single : p 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : p 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : p 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : p 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : p 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : p 79 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 37 N ALA p 3 -6.135 20.267 6.463 1.00 0.00 N ATOM 38 CA ALA p 3 -6.798 19.213 7.236 1.00 0.00 C ATOM 39 C ALA p 3 -7.149 18.011 6.379 1.00 0.00 C ATOM 40 O ALA p 3 -7.014 16.870 6.805 1.00 0.00 O ATOM 41 CB ALA p 3 -8.038 19.766 7.927 1.00 0.00 C ATOM 0 HA ALA p 3 -6.094 18.869 7.994 1.00 0.00 H new ATOM 0 HB1 ALA p 3 -8.521 18.973 8.498 1.00 0.00 H new ATOM 0 HB2 ALA p 3 -7.750 20.573 8.600 1.00 0.00 H new ATOM 0 HB3 ALA p 3 -8.732 20.148 7.178 1.00 0.00 H new ATOM 47 N LEU p 4 -7.652 18.317 5.193 1.00 0.00 N ATOM 48 CA LEU p 4 -8.079 17.362 4.205 1.00 0.00 C ATOM 49 C LEU p 4 -6.960 17.118 3.207 1.00 0.00 C ATOM 50 O LEU p 4 -6.467 16.007 3.058 1.00 0.00 O ATOM 51 CB LEU p 4 -9.323 17.928 3.518 1.00 0.00 C ATOM 52 CG LEU p 4 -10.226 16.936 2.798 1.00 0.00 C ATOM 53 CD1 LEU p 4 -11.599 17.547 2.681 1.00 0.00 C ATOM 54 CD2 LEU p 4 -9.673 16.605 1.421 1.00 0.00 C ATOM 0 H LEU p 4 -7.775 19.283 4.888 1.00 0.00 H new ATOM 0 HA LEU p 4 -8.321 16.404 4.665 1.00 0.00 H new ATOM 0 HB2 LEU p 4 -9.919 18.445 4.270 1.00 0.00 H new ATOM 0 HB3 LEU p 4 -9.000 18.678 2.796 1.00 0.00 H new ATOM 0 HG LEU p 4 -10.277 16.006 3.364 1.00 0.00 H new ATOM 0 HD11 LEU p 4 -12.264 16.852 2.167 1.00 0.00 H new ATOM 0 HD12 LEU p 4 -11.991 17.755 3.677 1.00 0.00 H new ATOM 0 HD13 LEU p 4 -11.537 18.476 2.114 1.00 0.00 H new ATOM 0 HD21 LEU p 4 -10.334 15.895 0.925 1.00 0.00 H new ATOM 0 HD22 LEU p 4 -9.608 17.516 0.827 1.00 0.00 H new ATOM 0 HD23 LEU p 4 -8.680 16.166 1.523 1.00 0.00 H new ATOM 66 N GLU p 5 -6.594 18.212 2.536 1.00 0.00 N ATOM 67 CA GLU p 5 -5.543 18.249 1.498 1.00 0.00 C ATOM 68 C GLU p 5 -4.200 17.773 2.017 1.00 0.00 C ATOM 69 O GLU p 5 -3.407 17.216 1.263 1.00 0.00 O ATOM 70 CB GLU p 5 -5.371 19.663 0.933 1.00 0.00 C ATOM 71 CG GLU p 5 -6.656 20.473 0.882 1.00 0.00 C ATOM 72 CD GLU p 5 -6.955 21.013 -0.503 1.00 0.00 C ATOM 73 OE1 GLU p 5 -7.455 20.241 -1.347 1.00 0.00 O ATOM 74 OE2 GLU p 5 -6.690 22.210 -0.743 1.00 0.00 O ATOM 0 H GLU p 5 -7.026 19.122 2.698 1.00 0.00 H new ATOM 0 HA GLU p 5 -5.876 17.571 0.712 1.00 0.00 H new ATOM 0 HB2 GLU p 5 -4.641 20.198 1.540 1.00 0.00 H new ATOM 0 HB3 GLU p 5 -4.959 19.593 -0.074 1.00 0.00 H new ATOM 0 HG2 GLU p 5 -7.487 19.849 1.211 1.00 0.00 H new ATOM 0 HG3 GLU p 5 -6.584 21.304 1.584 1.00 0.00 H new ATOM 81 N LYS p 6 -3.957 18.026 3.299 1.00 0.00 N ATOM 82 CA LYS p 6 -2.714 17.601 3.953 1.00 0.00 C ATOM 83 C LYS p 6 -2.896 16.234 4.595 1.00 0.00 C ATOM 84 O LYS p 6 -1.932 15.614 5.028 1.00 0.00 O ATOM 85 CB LYS p 6 -2.222 18.616 4.972 1.00 0.00 C ATOM 86 CG LYS p 6 -1.294 19.668 4.378 1.00 0.00 C ATOM 87 CD LYS p 6 -0.583 20.463 5.459 1.00 0.00 C ATOM 88 CE LYS p 6 0.295 21.551 4.865 1.00 0.00 C ATOM 89 NZ LYS p 6 1.001 22.333 5.917 1.00 0.00 N ATOM 0 H LYS p 6 -4.603 18.524 3.911 1.00 0.00 H new ATOM 0 HA LYS p 6 -1.947 17.531 3.182 1.00 0.00 H new ATOM 0 HB2 LYS p 6 -3.081 19.113 5.423 1.00 0.00 H new ATOM 0 HB3 LYS p 6 -1.700 18.092 5.773 1.00 0.00 H new ATOM 0 HG2 LYS p 6 -0.557 19.183 3.738 1.00 0.00 H new ATOM 0 HG3 LYS p 6 -1.869 20.345 3.746 1.00 0.00 H new ATOM 0 HD2 LYS p 6 -1.319 20.912 6.125 1.00 0.00 H new ATOM 0 HD3 LYS p 6 0.027 19.792 6.064 1.00 0.00 H new ATOM 0 HE2 LYS p 6 1.027 21.101 4.195 1.00 0.00 H new ATOM 0 HE3 LYS p 6 -0.317 22.223 4.263 1.00 0.00 H new ATOM 0 HZ1 LYS p 6 1.589 23.065 5.470 1.00 0.00 H new ATOM 0 HZ2 LYS p 6 0.303 22.784 6.542 1.00 0.00 H new ATOM 0 HZ3 LYS p 6 1.605 21.697 6.476 1.00 0.00 H new ATOM 103 N GLU p 7 -4.163 15.808 4.666 1.00 0.00 N ATOM 104 CA GLU p 7 -4.562 14.489 5.150 1.00 0.00 C ATOM 105 C GLU p 7 -4.560 13.574 3.925 1.00 0.00 C ATOM 106 O GLU p 7 -4.487 12.351 4.011 1.00 0.00 O ATOM 107 CB GLU p 7 -5.952 14.595 5.783 1.00 0.00 C ATOM 108 CG GLU p 7 -6.817 13.354 5.671 1.00 0.00 C ATOM 109 CD GLU p 7 -7.262 12.817 7.017 1.00 0.00 C ATOM 110 OE1 GLU p 7 -8.306 13.279 7.525 1.00 0.00 O ATOM 111 OE2 GLU p 7 -6.565 11.937 7.565 1.00 0.00 O ATOM 0 H GLU p 7 -4.953 16.386 4.381 1.00 0.00 H new ATOM 0 HA GLU p 7 -3.891 14.093 5.912 1.00 0.00 H new ATOM 0 HB2 GLU p 7 -5.834 14.840 6.838 1.00 0.00 H new ATOM 0 HB3 GLU p 7 -6.481 15.428 5.320 1.00 0.00 H new ATOM 0 HG2 GLU p 7 -7.696 13.584 5.069 1.00 0.00 H new ATOM 0 HG3 GLU p 7 -6.263 12.579 5.142 1.00 0.00 H new ATOM 118 N LEU p 8 -4.653 14.276 2.799 1.00 0.00 N ATOM 119 CA LEU p 8 -4.639 13.765 1.449 1.00 0.00 C ATOM 120 C LEU p 8 -3.190 13.744 1.011 1.00 0.00 C ATOM 121 O LEU p 8 -2.758 12.870 0.271 1.00 0.00 O ATOM 122 CB LEU p 8 -5.431 14.740 0.575 1.00 0.00 C ATOM 123 CG LEU p 8 -5.995 14.243 -0.757 1.00 0.00 C ATOM 124 CD1 LEU p 8 -6.723 15.400 -1.394 1.00 0.00 C ATOM 125 CD2 LEU p 8 -4.906 13.740 -1.694 1.00 0.00 C ATOM 0 H LEU p 8 -4.747 15.292 2.818 1.00 0.00 H new ATOM 0 HA LEU p 8 -5.077 12.770 1.373 1.00 0.00 H new ATOM 0 HB2 LEU p 8 -6.266 15.112 1.169 1.00 0.00 H new ATOM 0 HB3 LEU p 8 -4.786 15.592 0.363 1.00 0.00 H new ATOM 0 HG LEU p 8 -6.661 13.400 -0.572 1.00 0.00 H new ATOM 0 HD11 LEU p 8 -7.141 15.085 -2.350 1.00 0.00 H new ATOM 0 HD12 LEU p 8 -7.528 15.730 -0.737 1.00 0.00 H new ATOM 0 HD13 LEU p 8 -6.027 16.223 -1.556 1.00 0.00 H new ATOM 0 HD21 LEU p 8 -5.357 13.398 -2.626 1.00 0.00 H new ATOM 0 HD22 LEU p 8 -4.206 14.548 -1.905 1.00 0.00 H new ATOM 0 HD23 LEU p 8 -4.374 12.913 -1.223 1.00 0.00 H new ATOM 137 N ALA p 9 -2.484 14.783 1.477 1.00 0.00 N ATOM 138 CA ALA p 9 -1.043 14.953 1.264 1.00 0.00 C ATOM 139 C ALA p 9 -0.318 14.051 2.250 1.00 0.00 C ATOM 140 O ALA p 9 0.857 13.718 2.080 1.00 0.00 O ATOM 141 CB ALA p 9 -0.596 16.397 1.428 1.00 0.00 C ATOM 0 H ALA p 9 -2.904 15.538 2.019 1.00 0.00 H new ATOM 0 HA ALA p 9 -0.802 14.679 0.237 1.00 0.00 H new ATOM 0 HB1 ALA p 9 0.479 16.467 1.260 1.00 0.00 H new ATOM 0 HB2 ALA p 9 -1.118 17.024 0.705 1.00 0.00 H new ATOM 0 HB3 ALA p 9 -0.828 16.737 2.437 1.00 0.00 H new ATOM 147 N GLN p 10 -1.077 13.676 3.292 1.00 0.00 N ATOM 148 CA GLN p 10 -0.642 12.753 4.317 1.00 0.00 C ATOM 149 C GLN p 10 -1.034 11.371 3.834 1.00 0.00 C ATOM 150 O GLN p 10 -0.390 10.391 4.151 1.00 0.00 O ATOM 151 CB GLN p 10 -1.306 13.106 5.653 1.00 0.00 C ATOM 152 CG GLN p 10 -1.604 11.934 6.575 1.00 0.00 C ATOM 153 CD GLN p 10 -0.739 11.930 7.820 1.00 0.00 C ATOM 154 OE1 GLN p 10 0.343 11.345 7.836 1.00 0.00 O ATOM 155 NE2 GLN p 10 -1.215 12.587 8.872 1.00 0.00 N ATOM 0 H GLN p 10 -2.026 14.020 3.436 1.00 0.00 H new ATOM 0 HA GLN p 10 0.434 12.800 4.486 1.00 0.00 H new ATOM 0 HB2 GLN p 10 -0.661 13.806 6.184 1.00 0.00 H new ATOM 0 HB3 GLN p 10 -2.240 13.628 5.446 1.00 0.00 H new ATOM 0 HG2 GLN p 10 -2.654 11.966 6.868 1.00 0.00 H new ATOM 0 HG3 GLN p 10 -1.453 11.002 6.030 1.00 0.00 H new ATOM 0 HE21 GLN p 10 -2.118 13.058 8.813 1.00 0.00 H new ATOM 0 HE22 GLN p 10 -0.678 12.620 9.738 1.00 0.00 H new ATOM 164 N ASN p 11 -2.117 11.367 3.039 1.00 0.00 N ATOM 165 CA ASN p 11 -2.669 10.175 2.381 1.00 0.00 C ATOM 166 C ASN p 11 -1.825 9.925 1.153 1.00 0.00 C ATOM 167 O ASN p 11 -1.794 8.824 0.605 1.00 0.00 O ATOM 168 CB ASN p 11 -4.135 10.372 1.974 1.00 0.00 C ATOM 169 CG ASN p 11 -4.911 9.065 1.855 1.00 0.00 C ATOM 170 OD1 ASN p 11 -4.685 8.115 2.608 1.00 0.00 O ATOM 171 ND2 ASN p 11 -5.834 9.015 0.900 1.00 0.00 N ATOM 0 H ASN p 11 -2.645 12.215 2.832 1.00 0.00 H new ATOM 0 HA ASN p 11 -2.646 9.330 3.069 1.00 0.00 H new ATOM 0 HB2 ASN p 11 -4.625 11.012 2.708 1.00 0.00 H new ATOM 0 HB3 ASN p 11 -4.172 10.896 1.019 1.00 0.00 H new ATOM 0 HD21 ASN p 11 -6.387 8.168 0.769 1.00 0.00 H new ATOM 0 HD22 ASN p 11 -5.990 9.824 0.298 1.00 0.00 H new ATOM 178 N GLU p 12 -1.160 11.014 0.742 1.00 0.00 N ATOM 179 CA GLU p 12 -0.231 11.047 -0.332 1.00 0.00 C ATOM 180 C GLU p 12 1.074 10.566 0.250 1.00 0.00 C ATOM 181 O GLU p 12 1.864 9.906 -0.397 1.00 0.00 O ATOM 182 CB GLU p 12 -0.109 12.484 -0.768 1.00 0.00 C ATOM 183 CG GLU p 12 0.811 12.691 -1.920 1.00 0.00 C ATOM 184 CD GLU p 12 0.121 13.222 -3.160 1.00 0.00 C ATOM 185 OE1 GLU p 12 -0.359 12.402 -3.970 1.00 0.00 O ATOM 186 OE2 GLU p 12 0.059 14.460 -3.322 1.00 0.00 O ATOM 0 H GLU p 12 -1.280 11.924 1.188 1.00 0.00 H new ATOM 0 HA GLU p 12 -0.524 10.435 -1.185 1.00 0.00 H new ATOM 0 HB2 GLU p 12 -1.098 12.857 -1.034 1.00 0.00 H new ATOM 0 HB3 GLU p 12 0.241 13.080 0.075 1.00 0.00 H new ATOM 0 HG2 GLU p 12 1.597 13.386 -1.626 1.00 0.00 H new ATOM 0 HG3 GLU p 12 1.296 11.745 -2.161 1.00 0.00 H new ATOM 193 N TRP p 13 1.229 10.967 1.510 1.00 0.00 N ATOM 194 CA TRP p 13 2.358 10.611 2.369 1.00 0.00 C ATOM 195 C TRP p 13 2.143 9.200 2.899 1.00 0.00 C ATOM 196 O TRP p 13 3.071 8.577 3.392 1.00 0.00 O ATOM 197 CB TRP p 13 2.514 11.601 3.525 1.00 0.00 C ATOM 198 CG TRP p 13 3.924 11.718 4.035 1.00 0.00 C ATOM 199 CD1 TRP p 13 4.876 12.592 3.598 1.00 0.00 C ATOM 200 CD2 TRP p 13 4.539 10.939 5.074 1.00 0.00 C ATOM 201 NE1 TRP p 13 6.044 12.409 4.299 1.00 0.00 N ATOM 202 CE2 TRP p 13 5.864 11.401 5.208 1.00 0.00 C ATOM 203 CE3 TRP p 13 4.103 9.899 5.903 1.00 0.00 C ATOM 204 CZ2 TRP p 13 6.751 10.859 6.135 1.00 0.00 C ATOM 205 CZ3 TRP p 13 4.986 9.363 6.821 1.00 0.00 C ATOM 206 CH2 TRP p 13 6.296 9.843 6.931 1.00 0.00 C ATOM 0 H TRP p 13 0.550 11.568 1.977 1.00 0.00 H new ATOM 0 HA TRP p 13 3.277 10.652 1.784 1.00 0.00 H new ATOM 0 HB2 TRP p 13 2.172 12.583 3.199 1.00 0.00 H new ATOM 0 HB3 TRP p 13 1.865 11.294 4.345 1.00 0.00 H new ATOM 0 HD1 TRP p 13 4.733 13.322 2.815 1.00 0.00 H new ATOM 0 HE1 TRP p 13 6.905 12.938 4.164 1.00 0.00 H new ATOM 0 HE3 TRP p 13 3.094 9.522 5.827 1.00 0.00 H new ATOM 0 HZ2 TRP p 13 7.762 11.228 6.223 1.00 0.00 H new ATOM 0 HZ3 TRP p 13 4.659 8.560 7.465 1.00 0.00 H new ATOM 0 HH2 TRP p 13 6.961 9.403 7.659 1.00 0.00 H new ATOM 217 N GLU p 14 0.875 8.753 2.829 1.00 0.00 N ATOM 218 CA GLU p 14 0.481 7.373 3.184 1.00 0.00 C ATOM 219 C GLU p 14 0.533 6.596 1.908 1.00 0.00 C ATOM 220 O GLU p 14 0.478 5.375 1.887 1.00 0.00 O ATOM 221 CB GLU p 14 -0.918 7.266 3.774 1.00 0.00 C ATOM 222 CG GLU p 14 -1.099 8.160 4.958 1.00 0.00 C ATOM 223 CD GLU p 14 -1.859 7.510 6.097 1.00 0.00 C ATOM 224 OE1 GLU p 14 -3.104 7.607 6.113 1.00 0.00 O ATOM 225 OE2 GLU p 14 -1.209 6.903 6.975 1.00 0.00 O ATOM 0 H GLU p 14 0.095 9.336 2.526 1.00 0.00 H new ATOM 0 HA GLU p 14 1.155 6.998 3.954 1.00 0.00 H new ATOM 0 HB2 GLU p 14 -1.653 7.522 3.011 1.00 0.00 H new ATOM 0 HB3 GLU p 14 -1.109 6.234 4.067 1.00 0.00 H new ATOM 0 HG2 GLU p 14 -0.120 8.475 5.318 1.00 0.00 H new ATOM 0 HG3 GLU p 14 -1.628 9.060 4.646 1.00 0.00 H new ATOM 232 N LEU p 15 0.554 7.400 0.853 1.00 0.00 N ATOM 233 CA LEU p 15 0.706 6.955 -0.530 1.00 0.00 C ATOM 234 C LEU p 15 2.208 6.913 -0.823 1.00 0.00 C ATOM 235 O LEU p 15 2.670 6.201 -1.709 1.00 0.00 O ATOM 236 CB LEU p 15 -0.028 7.904 -1.506 1.00 0.00 C ATOM 237 CG LEU p 15 -0.010 7.563 -3.015 1.00 0.00 C ATOM 238 CD1 LEU p 15 1.152 8.266 -3.694 1.00 0.00 C ATOM 239 CD2 LEU p 15 0.069 6.065 -3.246 1.00 0.00 C ATOM 0 H LEU p 15 0.463 8.412 0.937 1.00 0.00 H new ATOM 0 HA LEU p 15 0.261 5.970 -0.668 1.00 0.00 H new ATOM 0 HB2 LEU p 15 -1.070 7.963 -1.191 1.00 0.00 H new ATOM 0 HB3 LEU p 15 0.399 8.900 -1.385 1.00 0.00 H new ATOM 0 HG LEU p 15 -0.945 7.915 -3.451 1.00 0.00 H new ATOM 0 HD11 LEU p 15 1.156 8.020 -4.756 1.00 0.00 H new ATOM 0 HD12 LEU p 15 1.047 9.344 -3.572 1.00 0.00 H new ATOM 0 HD13 LEU p 15 2.089 7.940 -3.242 1.00 0.00 H new ATOM 0 HD21 LEU p 15 0.080 5.862 -4.317 1.00 0.00 H new ATOM 0 HD22 LEU p 15 0.981 5.675 -2.794 1.00 0.00 H new ATOM 0 HD23 LEU p 15 -0.797 5.581 -2.794 1.00 0.00 H new ATOM 251 N GLN p 16 2.924 7.728 -0.041 1.00 0.00 N ATOM 252 CA GLN p 16 4.394 7.837 -0.060 1.00 0.00 C ATOM 253 C GLN p 16 4.907 6.858 0.952 1.00 0.00 C ATOM 254 O GLN p 16 6.020 6.363 0.865 1.00 0.00 O ATOM 255 CB GLN p 16 4.894 9.227 0.326 1.00 0.00 C ATOM 256 CG GLN p 16 4.370 10.308 -0.572 1.00 0.00 C ATOM 257 CD GLN p 16 5.465 11.132 -1.221 1.00 0.00 C ATOM 258 OE1 GLN p 16 5.907 12.140 -0.673 1.00 0.00 O ATOM 259 NE2 GLN p 16 5.907 10.703 -2.397 1.00 0.00 N ATOM 0 H GLN p 16 2.489 8.348 0.642 1.00 0.00 H new ATOM 0 HA GLN p 16 4.746 7.640 -1.073 1.00 0.00 H new ATOM 0 HB2 GLN p 16 4.599 9.441 1.353 1.00 0.00 H new ATOM 0 HB3 GLN p 16 5.984 9.236 0.299 1.00 0.00 H new ATOM 0 HG2 GLN p 16 3.754 9.857 -1.350 1.00 0.00 H new ATOM 0 HG3 GLN p 16 3.722 10.968 0.005 1.00 0.00 H new ATOM 0 HE21 GLN p 16 5.511 9.861 -2.814 1.00 0.00 H new ATOM 0 HE22 GLN p 16 6.643 11.215 -2.883 1.00 0.00 H new ATOM 268 N ALA p 17 4.041 6.667 1.944 1.00 0.00 N ATOM 269 CA ALA p 17 4.241 5.696 3.032 1.00 0.00 C ATOM 270 C ALA p 17 3.729 4.352 2.559 1.00 0.00 C ATOM 271 O ALA p 17 4.049 3.317 3.132 1.00 0.00 O ATOM 272 CB ALA p 17 3.550 6.100 4.328 1.00 0.00 C ATOM 0 H ALA p 17 3.167 7.186 2.022 1.00 0.00 H new ATOM 0 HA ALA p 17 5.306 5.653 3.262 1.00 0.00 H new ATOM 0 HB1 ALA p 17 3.735 5.343 5.090 1.00 0.00 H new ATOM 0 HB2 ALA p 17 3.942 7.059 4.666 1.00 0.00 H new ATOM 0 HB3 ALA p 17 2.477 6.187 4.157 1.00 0.00 H new ATOM 278 N LEU p 18 2.887 4.423 1.512 1.00 0.00 N ATOM 279 CA LEU p 18 2.345 3.268 0.817 1.00 0.00 C ATOM 280 C LEU p 18 3.376 2.900 -0.223 1.00 0.00 C ATOM 281 O LEU p 18 3.562 1.742 -0.573 1.00 0.00 O ATOM 282 CB LEU p 18 1.052 3.641 0.117 1.00 0.00 C ATOM 283 CG LEU p 18 0.011 2.549 -0.098 1.00 0.00 C ATOM 284 CD1 LEU p 18 -1.152 3.179 -0.813 1.00 0.00 C ATOM 285 CD2 LEU p 18 0.563 1.390 -0.911 1.00 0.00 C ATOM 0 H LEU p 18 2.565 5.310 1.126 1.00 0.00 H new ATOM 0 HA LEU p 18 2.136 2.450 1.506 1.00 0.00 H new ATOM 0 HB2 LEU p 18 0.582 4.441 0.689 1.00 0.00 H new ATOM 0 HB3 LEU p 18 1.308 4.054 -0.859 1.00 0.00 H new ATOM 0 HG LEU p 18 -0.291 2.136 0.865 1.00 0.00 H new ATOM 0 HD11 LEU p 18 -1.922 2.428 -0.987 1.00 0.00 H new ATOM 0 HD12 LEU p 18 -1.561 3.984 -0.203 1.00 0.00 H new ATOM 0 HD13 LEU p 18 -0.817 3.582 -1.768 1.00 0.00 H new ATOM 0 HD21 LEU p 18 -0.212 0.635 -1.040 1.00 0.00 H new ATOM 0 HD22 LEU p 18 0.884 1.751 -1.888 1.00 0.00 H new ATOM 0 HD23 LEU p 18 1.413 0.952 -0.389 1.00 0.00 H new ATOM 297 N GLU p 19 3.995 3.971 -0.726 1.00 0.00 N ATOM 298 CA GLU p 19 5.080 3.943 -1.662 1.00 0.00 C ATOM 299 C GLU p 19 6.312 3.449 -0.928 1.00 0.00 C ATOM 300 O GLU p 19 7.146 2.745 -1.475 1.00 0.00 O ATOM 301 CB GLU p 19 5.287 5.363 -2.115 1.00 0.00 C ATOM 302 CG GLU p 19 6.225 5.501 -3.255 1.00 0.00 C ATOM 303 CD GLU p 19 5.555 5.944 -4.541 1.00 0.00 C ATOM 304 OE1 GLU p 19 5.114 5.067 -5.312 1.00 0.00 O ATOM 305 OE2 GLU p 19 5.472 7.168 -4.775 1.00 0.00 O ATOM 0 H GLU p 19 3.726 4.920 -0.467 1.00 0.00 H new ATOM 0 HA GLU p 19 4.883 3.293 -2.515 1.00 0.00 H new ATOM 0 HB2 GLU p 19 4.324 5.788 -2.397 1.00 0.00 H new ATOM 0 HB3 GLU p 19 5.661 5.950 -1.276 1.00 0.00 H new ATOM 0 HG2 GLU p 19 7.000 6.221 -2.992 1.00 0.00 H new ATOM 0 HG3 GLU p 19 6.722 4.546 -3.424 1.00 0.00 H new ATOM 312 N LYS p 20 6.397 3.932 0.310 1.00 0.00 N ATOM 313 CA LYS p 20 7.436 3.570 1.274 1.00 0.00 C ATOM 314 C LYS p 20 7.104 2.217 1.886 1.00 0.00 C ATOM 315 O LYS p 20 7.956 1.572 2.493 1.00 0.00 O ATOM 316 CB LYS p 20 7.542 4.626 2.364 1.00 0.00 C ATOM 317 CG LYS p 20 8.945 5.165 2.578 1.00 0.00 C ATOM 318 CD LYS p 20 9.590 4.573 3.820 1.00 0.00 C ATOM 319 CE LYS p 20 10.997 5.112 4.027 1.00 0.00 C ATOM 320 NZ LYS p 20 11.637 4.538 5.243 1.00 0.00 N ATOM 0 H LYS p 20 5.726 4.605 0.681 1.00 0.00 H new ATOM 0 HA LYS p 20 8.396 3.511 0.760 1.00 0.00 H new ATOM 0 HB2 LYS p 20 6.881 5.456 2.115 1.00 0.00 H new ATOM 0 HB3 LYS p 20 7.182 4.201 3.301 1.00 0.00 H new ATOM 0 HG2 LYS p 20 9.559 4.939 1.706 1.00 0.00 H new ATOM 0 HG3 LYS p 20 8.908 6.251 2.669 1.00 0.00 H new ATOM 0 HD2 LYS p 20 8.979 4.802 4.693 1.00 0.00 H new ATOM 0 HD3 LYS p 20 9.624 3.487 3.731 1.00 0.00 H new ATOM 0 HE2 LYS p 20 11.606 4.882 3.153 1.00 0.00 H new ATOM 0 HE3 LYS p 20 10.961 6.198 4.114 1.00 0.00 H new ATOM 0 HZ1 LYS p 20 12.665 4.476 5.098 1.00 0.00 H new ATOM 0 HZ2 LYS p 20 11.439 5.149 6.061 1.00 0.00 H new ATOM 0 HZ3 LYS p 20 11.254 3.587 5.421 1.00 0.00 H new ATOM 334 N GLU p 21 5.828 1.831 1.722 1.00 0.00 N ATOM 335 CA GLU p 21 5.312 0.540 2.139 1.00 0.00 C ATOM 336 C GLU p 21 5.577 -0.369 0.958 1.00 0.00 C ATOM 337 O GLU p 21 5.815 -1.573 1.092 1.00 0.00 O ATOM 338 CB GLU p 21 3.819 0.643 2.480 1.00 0.00 C ATOM 339 CG GLU p 21 2.991 -0.594 2.181 1.00 0.00 C ATOM 340 CD GLU p 21 2.461 -1.268 3.432 1.00 0.00 C ATOM 341 OE1 GLU p 21 1.357 -0.898 3.883 1.00 0.00 O ATOM 342 OE2 GLU p 21 3.151 -2.165 3.960 1.00 0.00 O ATOM 0 H GLU p 21 5.123 2.426 1.287 1.00 0.00 H new ATOM 0 HA GLU p 21 5.785 0.159 3.044 1.00 0.00 H new ATOM 0 HB2 GLU p 21 3.722 0.876 3.540 1.00 0.00 H new ATOM 0 HB3 GLU p 21 3.396 1.483 1.929 1.00 0.00 H new ATOM 0 HG2 GLU p 21 2.153 -0.318 1.541 1.00 0.00 H new ATOM 0 HG3 GLU p 21 3.599 -1.305 1.621 1.00 0.00 H new ATOM 349 N LEU p 22 5.517 0.280 -0.214 1.00 0.00 N ATOM 350 CA LEU p 22 5.848 -0.348 -1.487 1.00 0.00 C ATOM 351 C LEU p 22 7.345 -0.478 -1.525 1.00 0.00 C ATOM 352 O LEU p 22 7.901 -1.512 -1.892 1.00 0.00 O ATOM 353 CB LEU p 22 5.400 0.535 -2.639 1.00 0.00 C ATOM 354 CG LEU p 22 4.347 -0.031 -3.571 1.00 0.00 C ATOM 355 CD1 LEU p 22 3.017 -0.140 -2.853 1.00 0.00 C ATOM 356 CD2 LEU p 22 4.247 0.880 -4.772 1.00 0.00 C ATOM 0 H LEU p 22 5.236 1.257 -0.298 1.00 0.00 H new ATOM 0 HA LEU p 22 5.353 -1.315 -1.581 1.00 0.00 H new ATOM 0 HB2 LEU p 22 5.018 1.467 -2.223 1.00 0.00 H new ATOM 0 HB3 LEU p 22 6.278 0.788 -3.233 1.00 0.00 H new ATOM 0 HG LEU p 22 4.623 -1.034 -3.897 1.00 0.00 H new ATOM 0 HD11 LEU p 22 2.269 -0.548 -3.533 1.00 0.00 H new ATOM 0 HD12 LEU p 22 3.122 -0.799 -1.991 1.00 0.00 H new ATOM 0 HD13 LEU p 22 2.702 0.848 -2.518 1.00 0.00 H new ATOM 0 HD21 LEU p 22 3.494 0.494 -5.460 1.00 0.00 H new ATOM 0 HD22 LEU p 22 3.962 1.881 -4.447 1.00 0.00 H new ATOM 0 HD23 LEU p 22 5.212 0.923 -5.277 1.00 0.00 H new ATOM 368 N ALA p 23 7.968 0.624 -1.105 1.00 0.00 N ATOM 369 CA ALA p 23 9.434 0.714 -0.990 1.00 0.00 C ATOM 370 C ALA p 23 9.934 -0.134 0.181 1.00 0.00 C ATOM 371 O ALA p 23 11.125 -0.396 0.291 1.00 0.00 O ATOM 372 CB ALA p 23 9.907 2.154 -0.840 1.00 0.00 C ATOM 0 H ALA p 23 7.479 1.477 -0.835 1.00 0.00 H new ATOM 0 HA ALA p 23 9.856 0.325 -1.917 1.00 0.00 H new ATOM 0 HB1 ALA p 23 10.994 2.173 -0.759 1.00 0.00 H new ATOM 0 HB2 ALA p 23 9.598 2.731 -1.712 1.00 0.00 H new ATOM 0 HB3 ALA p 23 9.468 2.590 0.058 1.00 0.00 H new ATOM 378 N GLN p 24 8.983 -0.556 1.036 1.00 0.00 N ATOM 379 CA GLN p 24 9.224 -1.401 2.189 1.00 0.00 C ATOM 380 C GLN p 24 9.318 -2.862 1.735 1.00 0.00 C ATOM 381 O GLN p 24 9.973 -3.685 2.361 1.00 0.00 O ATOM 382 CB GLN p 24 8.055 -1.212 3.153 1.00 0.00 C ATOM 383 CG GLN p 24 7.927 -2.287 4.196 1.00 0.00 C ATOM 384 CD GLN p 24 7.828 -1.742 5.608 1.00 0.00 C ATOM 385 OE1 GLN p 24 6.736 -1.471 6.106 1.00 0.00 O ATOM 386 NE2 GLN p 24 8.973 -1.579 6.261 1.00 0.00 N ATOM 0 H GLN p 24 8.001 -0.303 0.928 1.00 0.00 H new ATOM 0 HA GLN p 24 10.159 -1.136 2.683 1.00 0.00 H new ATOM 0 HB2 GLN p 24 8.165 -0.250 3.653 1.00 0.00 H new ATOM 0 HB3 GLN p 24 7.130 -1.169 2.578 1.00 0.00 H new ATOM 0 HG2 GLN p 24 7.043 -2.888 3.983 1.00 0.00 H new ATOM 0 HG3 GLN p 24 8.788 -2.952 4.130 1.00 0.00 H new ATOM 0 HE21 GLN p 24 9.856 -1.817 5.809 1.00 0.00 H new ATOM 0 HE22 GLN p 24 8.969 -1.216 7.214 1.00 0.00 H new ATOM 395 N LEU p 25 8.652 -3.111 0.612 1.00 0.00 N ATOM 396 CA LEU p 25 8.559 -4.390 -0.058 1.00 0.00 C ATOM 397 C LEU p 25 9.822 -4.562 -0.860 1.00 0.00 C ATOM 398 O LEU p 25 10.403 -5.622 -0.882 1.00 0.00 O ATOM 399 CB LEU p 25 7.332 -4.358 -0.975 1.00 0.00 C ATOM 400 CG LEU p 25 6.668 -5.687 -1.330 1.00 0.00 C ATOM 401 CD1 LEU p 25 5.472 -5.398 -2.206 1.00 0.00 C ATOM 402 CD2 LEU p 25 7.629 -6.621 -2.047 1.00 0.00 C ATOM 0 H LEU p 25 8.136 -2.380 0.123 1.00 0.00 H new ATOM 0 HA LEU p 25 8.452 -5.219 0.642 1.00 0.00 H new ATOM 0 HB2 LEU p 25 6.580 -3.724 -0.505 1.00 0.00 H new ATOM 0 HB3 LEU p 25 7.623 -3.871 -1.906 1.00 0.00 H new ATOM 0 HG LEU p 25 6.360 -6.188 -0.412 1.00 0.00 H new ATOM 0 HD11 LEU p 25 4.981 -6.334 -2.472 1.00 0.00 H new ATOM 0 HD12 LEU p 25 4.771 -4.762 -1.666 1.00 0.00 H new ATOM 0 HD13 LEU p 25 5.800 -4.889 -3.113 1.00 0.00 H new ATOM 0 HD21 LEU p 25 7.120 -7.556 -2.283 1.00 0.00 H new ATOM 0 HD22 LEU p 25 7.972 -6.152 -2.969 1.00 0.00 H new ATOM 0 HD23 LEU p 25 8.485 -6.826 -1.404 1.00 0.00 H new ATOM 414 N GLU p 26 10.179 -3.472 -1.538 1.00 0.00 N ATOM 415 CA GLU p 26 11.411 -3.319 -2.299 1.00 0.00 C ATOM 416 C GLU p 26 12.542 -3.257 -1.291 1.00 0.00 C ATOM 417 O GLU p 26 13.699 -3.525 -1.571 1.00 0.00 O ATOM 418 CB GLU p 26 11.354 -2.043 -3.136 1.00 0.00 C ATOM 419 CG GLU p 26 10.037 -1.865 -3.864 1.00 0.00 C ATOM 420 CD GLU p 26 10.213 -1.587 -5.344 1.00 0.00 C ATOM 421 OE1 GLU p 26 10.332 -0.400 -5.716 1.00 0.00 O ATOM 422 OE2 GLU p 26 10.232 -2.556 -6.132 1.00 0.00 O ATOM 0 H GLU p 26 9.591 -2.639 -1.571 1.00 0.00 H new ATOM 0 HA GLU p 26 11.559 -4.150 -2.988 1.00 0.00 H new ATOM 0 HB2 GLU p 26 11.522 -1.183 -2.488 1.00 0.00 H new ATOM 0 HB3 GLU p 26 12.165 -2.057 -3.864 1.00 0.00 H new ATOM 0 HG2 GLU p 26 9.434 -2.764 -3.738 1.00 0.00 H new ATOM 0 HG3 GLU p 26 9.484 -1.043 -3.409 1.00 0.00 H new ATOM 429 N LYS p 27 12.159 -2.852 -0.094 1.00 0.00 N ATOM 430 CA LYS p 27 13.083 -2.871 1.053 1.00 0.00 C ATOM 431 C LYS p 27 13.261 -4.329 1.441 1.00 0.00 C ATOM 432 O LYS p 27 14.272 -4.729 2.022 1.00 0.00 O ATOM 433 CB LYS p 27 12.578 -2.081 2.257 1.00 0.00 C ATOM 434 CG LYS p 27 13.110 -0.660 2.328 1.00 0.00 C ATOM 435 CD LYS p 27 12.884 -0.049 3.701 1.00 0.00 C ATOM 436 CE LYS p 27 13.408 1.376 3.773 1.00 0.00 C ATOM 437 NZ LYS p 27 13.204 1.976 5.120 1.00 0.00 N ATOM 0 H LYS p 27 11.224 -2.506 0.121 1.00 0.00 H new ATOM 0 HA LYS p 27 14.018 -2.394 0.758 1.00 0.00 H new ATOM 0 HB2 LYS p 27 11.489 -2.050 2.228 1.00 0.00 H new ATOM 0 HB3 LYS p 27 12.857 -2.609 3.169 1.00 0.00 H new ATOM 0 HG2 LYS p 27 14.176 -0.657 2.098 1.00 0.00 H new ATOM 0 HG3 LYS p 27 12.619 -0.048 1.571 1.00 0.00 H new ATOM 0 HD2 LYS p 27 11.819 -0.058 3.933 1.00 0.00 H new ATOM 0 HD3 LYS p 27 13.380 -0.658 4.457 1.00 0.00 H new ATOM 0 HE2 LYS p 27 14.470 1.385 3.529 1.00 0.00 H new ATOM 0 HE3 LYS p 27 12.904 1.986 3.024 1.00 0.00 H new ATOM 0 HZ1 LYS p 27 13.620 2.929 5.142 1.00 0.00 H new ATOM 0 HZ2 LYS p 27 12.186 2.038 5.322 1.00 0.00 H new ATOM 0 HZ3 LYS p 27 13.664 1.381 5.838 1.00 0.00 H new ATOM 451 N GLU p 28 12.216 -5.103 1.118 1.00 0.00 N ATOM 452 CA GLU p 28 12.221 -6.561 1.325 1.00 0.00 C ATOM 453 C GLU p 28 12.641 -7.257 0.040 1.00 0.00 C ATOM 454 O GLU p 28 13.403 -8.227 0.050 1.00 0.00 O ATOM 455 CB GLU p 28 10.837 -7.089 1.721 1.00 0.00 C ATOM 456 CG GLU p 28 10.210 -6.355 2.875 1.00 0.00 C ATOM 457 CD GLU p 28 10.092 -7.203 4.126 1.00 0.00 C ATOM 458 OE1 GLU p 28 11.047 -7.209 4.931 1.00 0.00 O ATOM 459 OE2 GLU p 28 9.045 -7.861 4.301 1.00 0.00 O ATOM 0 H GLU p 28 11.353 -4.744 0.711 1.00 0.00 H new ATOM 0 HA GLU p 28 12.921 -6.770 2.134 1.00 0.00 H new ATOM 0 HB2 GLU p 28 10.174 -7.023 0.858 1.00 0.00 H new ATOM 0 HB3 GLU p 28 10.922 -8.145 1.978 1.00 0.00 H new ATOM 0 HG2 GLU p 28 10.803 -5.468 3.099 1.00 0.00 H new ATOM 0 HG3 GLU p 28 9.218 -6.010 2.582 1.00 0.00 H new ATOM 466 N LEU p 29 12.113 -6.725 -1.061 1.00 0.00 N ATOM 467 CA LEU p 29 12.344 -7.247 -2.404 1.00 0.00 C ATOM 468 C LEU p 29 13.641 -6.769 -3.042 1.00 0.00 C ATOM 469 O LEU p 29 14.468 -7.585 -3.460 1.00 0.00 O ATOM 470 CB LEU p 29 11.181 -6.843 -3.313 1.00 0.00 C ATOM 471 CG LEU p 29 10.559 -7.941 -4.164 1.00 0.00 C ATOM 472 CD1 LEU p 29 9.424 -7.339 -4.959 1.00 0.00 C ATOM 473 CD2 LEU p 29 11.590 -8.558 -5.093 1.00 0.00 C ATOM 0 H LEU p 29 11.504 -5.907 -1.043 1.00 0.00 H new ATOM 0 HA LEU p 29 12.421 -8.329 -2.297 1.00 0.00 H new ATOM 0 HB2 LEU p 29 10.397 -6.412 -2.690 1.00 0.00 H new ATOM 0 HB3 LEU p 29 11.529 -6.054 -3.979 1.00 0.00 H new ATOM 0 HG LEU p 29 10.184 -8.736 -3.519 1.00 0.00 H new ATOM 0 HD11 LEU p 29 8.964 -8.110 -5.577 1.00 0.00 H new ATOM 0 HD12 LEU p 29 8.680 -6.928 -4.277 1.00 0.00 H new ATOM 0 HD13 LEU p 29 9.809 -6.544 -5.598 1.00 0.00 H new ATOM 0 HD21 LEU p 29 11.120 -9.340 -5.690 1.00 0.00 H new ATOM 0 HD22 LEU p 29 11.991 -7.789 -5.753 1.00 0.00 H new ATOM 0 HD23 LEU p 29 12.399 -8.989 -4.504 1.00 0.00 H new ATOM 791 N GLN p 51 2.662 -15.930 -3.467 1.00 0.00 N ATOM 792 CA GLN p 51 1.206 -15.867 -3.653 1.00 0.00 C ATOM 793 C GLN p 51 0.539 -14.914 -2.652 1.00 0.00 C ATOM 794 O GLN p 51 -0.662 -14.656 -2.745 1.00 0.00 O ATOM 795 CB GLN p 51 0.593 -17.268 -3.524 1.00 0.00 C ATOM 796 CG GLN p 51 0.893 -18.185 -4.701 1.00 0.00 C ATOM 797 CD GLN p 51 0.255 -19.551 -4.551 1.00 0.00 C ATOM 798 OE1 GLN p 51 0.856 -20.473 -3.999 1.00 0.00 O ATOM 799 NE2 GLN p 51 -0.971 -19.689 -5.043 1.00 0.00 N ATOM 0 HA GLN p 51 1.024 -15.478 -4.655 1.00 0.00 H new ATOM 0 HB2 GLN p 51 0.964 -17.733 -2.611 1.00 0.00 H new ATOM 0 HB3 GLN p 51 -0.488 -17.172 -3.417 1.00 0.00 H new ATOM 0 HG2 GLN p 51 0.536 -17.720 -5.620 1.00 0.00 H new ATOM 0 HG3 GLN p 51 1.972 -18.301 -4.801 1.00 0.00 H new ATOM 0 HE21 GLN p 51 -1.432 -18.898 -5.493 1.00 0.00 H new ATOM 0 HE22 GLN p 51 -1.451 -20.586 -4.971 1.00 0.00 H new ATOM 808 N ALA p 52 1.318 -14.429 -1.681 1.00 0.00 N ATOM 809 CA ALA p 52 0.808 -13.526 -0.645 1.00 0.00 C ATOM 810 C ALA p 52 1.297 -12.075 -0.805 1.00 0.00 C ATOM 811 O ALA p 52 0.862 -11.194 -0.069 1.00 0.00 O ATOM 812 CB ALA p 52 1.205 -14.073 0.718 1.00 0.00 C ATOM 0 H ALA p 52 2.310 -14.648 -1.591 1.00 0.00 H new ATOM 0 HA ALA p 52 -0.277 -13.487 -0.745 1.00 0.00 H new ATOM 0 HB1 ALA p 52 0.832 -13.410 1.499 1.00 0.00 H new ATOM 0 HB2 ALA p 52 0.777 -15.067 0.850 1.00 0.00 H new ATOM 0 HB3 ALA p 52 2.291 -14.134 0.783 1.00 0.00 H new ATOM 818 N LEU p 53 2.224 -11.845 -1.738 1.00 0.00 N ATOM 819 CA LEU p 53 2.787 -10.529 -1.992 1.00 0.00 C ATOM 820 C LEU p 53 2.095 -9.822 -3.147 1.00 0.00 C ATOM 821 O LEU p 53 1.381 -8.837 -2.956 1.00 0.00 O ATOM 822 CB LEU p 53 4.288 -10.660 -2.269 1.00 0.00 C ATOM 823 CG LEU p 53 5.220 -10.305 -1.110 1.00 0.00 C ATOM 824 CD1 LEU p 53 6.661 -10.518 -1.529 1.00 0.00 C ATOM 825 CD2 LEU p 53 5.000 -8.869 -0.667 1.00 0.00 C ATOM 0 H LEU p 53 2.604 -12.576 -2.339 1.00 0.00 H new ATOM 0 HA LEU p 53 2.627 -9.919 -1.103 1.00 0.00 H new ATOM 0 HB2 LEU p 53 4.493 -11.687 -2.571 1.00 0.00 H new ATOM 0 HB3 LEU p 53 4.537 -10.022 -3.117 1.00 0.00 H new ATOM 0 HG LEU p 53 4.997 -10.957 -0.265 1.00 0.00 H new ATOM 0 HD11 LEU p 53 7.322 -10.264 -0.700 1.00 0.00 H new ATOM 0 HD12 LEU p 53 6.809 -11.562 -1.805 1.00 0.00 H new ATOM 0 HD13 LEU p 53 6.889 -9.881 -2.384 1.00 0.00 H new ATOM 0 HD21 LEU p 53 5.673 -8.636 0.159 1.00 0.00 H new ATOM 0 HD22 LEU p 53 5.202 -8.196 -1.500 1.00 0.00 H new ATOM 0 HD23 LEU p 53 3.968 -8.743 -0.341 1.00 0.00 H new ATOM 837 N LYS p 54 2.327 -10.365 -4.342 1.00 0.00 N ATOM 838 CA LYS p 54 1.765 -9.852 -5.607 1.00 0.00 C ATOM 839 C LYS p 54 0.240 -10.002 -5.662 1.00 0.00 C ATOM 840 O LYS p 54 -0.421 -9.420 -6.524 1.00 0.00 O ATOM 841 CB LYS p 54 2.398 -10.578 -6.798 1.00 0.00 C ATOM 842 CG LYS p 54 3.835 -10.164 -7.078 1.00 0.00 C ATOM 843 CD LYS p 54 4.403 -10.903 -8.279 1.00 0.00 C ATOM 844 CE LYS p 54 5.846 -10.506 -8.546 1.00 0.00 C ATOM 845 NZ LYS p 54 6.414 -11.233 -9.714 1.00 0.00 N ATOM 0 H LYS p 54 2.919 -11.186 -4.468 1.00 0.00 H new ATOM 0 HA LYS p 54 1.997 -8.788 -5.657 1.00 0.00 H new ATOM 0 HB2 LYS p 54 2.369 -11.652 -6.614 1.00 0.00 H new ATOM 0 HB3 LYS p 54 1.796 -10.390 -7.687 1.00 0.00 H new ATOM 0 HG2 LYS p 54 3.877 -9.090 -7.257 1.00 0.00 H new ATOM 0 HG3 LYS p 54 4.450 -10.365 -6.201 1.00 0.00 H new ATOM 0 HD2 LYS p 54 4.346 -11.978 -8.106 1.00 0.00 H new ATOM 0 HD3 LYS p 54 3.797 -10.689 -9.159 1.00 0.00 H new ATOM 0 HE2 LYS p 54 5.900 -9.432 -8.725 1.00 0.00 H new ATOM 0 HE3 LYS p 54 6.449 -10.712 -7.662 1.00 0.00 H new ATOM 0 HZ1 LYS p 54 7.399 -10.935 -9.863 1.00 0.00 H new ATOM 0 HZ2 LYS p 54 6.386 -12.257 -9.533 1.00 0.00 H new ATOM 0 HZ3 LYS p 54 5.854 -11.016 -10.563 1.00 0.00 H new ATOM 859 N LYS p 55 -0.286 -10.793 -4.728 1.00 0.00 N ATOM 860 CA LYS p 55 -1.699 -11.059 -4.586 1.00 0.00 C ATOM 861 C LYS p 55 -2.282 -10.116 -3.559 1.00 0.00 C ATOM 862 O LYS p 55 -3.410 -9.647 -3.707 1.00 0.00 O ATOM 863 CB LYS p 55 -1.927 -12.509 -4.186 1.00 0.00 C ATOM 864 CG LYS p 55 -2.151 -13.449 -5.365 1.00 0.00 C ATOM 865 CD LYS p 55 -3.622 -13.526 -5.763 1.00 0.00 C ATOM 866 CE LYS p 55 -3.837 -14.448 -6.956 1.00 0.00 C ATOM 867 NZ LYS p 55 -3.657 -15.885 -6.599 1.00 0.00 N ATOM 0 H LYS p 55 0.284 -11.276 -4.034 1.00 0.00 H new ATOM 0 HA LYS p 55 -2.199 -10.895 -5.541 1.00 0.00 H new ATOM 0 HB2 LYS p 55 -1.066 -12.857 -3.615 1.00 0.00 H new ATOM 0 HB3 LYS p 55 -2.791 -12.561 -3.524 1.00 0.00 H new ATOM 0 HG2 LYS p 55 -1.562 -13.109 -6.217 1.00 0.00 H new ATOM 0 HG3 LYS p 55 -1.792 -14.446 -5.107 1.00 0.00 H new ATOM 0 HD2 LYS p 55 -4.209 -13.883 -4.917 1.00 0.00 H new ATOM 0 HD3 LYS p 55 -3.986 -12.527 -6.005 1.00 0.00 H new ATOM 0 HE2 LYS p 55 -4.841 -14.297 -7.353 1.00 0.00 H new ATOM 0 HE3 LYS p 55 -3.138 -14.182 -7.749 1.00 0.00 H new ATOM 0 HZ1 LYS p 55 -3.830 -16.475 -7.438 1.00 0.00 H new ATOM 0 HZ2 LYS p 55 -2.686 -16.040 -6.261 1.00 0.00 H new ATOM 0 HZ3 LYS p 55 -4.330 -16.143 -5.849 1.00 0.00 H new ATOM 881 N LYS p 56 -1.488 -9.849 -2.506 1.00 0.00 N ATOM 882 CA LYS p 56 -1.891 -8.886 -1.458 1.00 0.00 C ATOM 883 C LYS p 56 -1.716 -7.460 -1.992 1.00 0.00 C ATOM 884 O LYS p 56 -2.191 -6.485 -1.410 1.00 0.00 O ATOM 885 CB LYS p 56 -1.079 -9.069 -0.177 1.00 0.00 C ATOM 886 CG LYS p 56 -1.727 -10.011 0.834 1.00 0.00 C ATOM 887 CD LYS p 56 -2.724 -9.284 1.731 1.00 0.00 C ATOM 888 CE LYS p 56 -3.391 -10.235 2.711 1.00 0.00 C ATOM 889 NZ LYS p 56 -4.390 -9.537 3.567 1.00 0.00 N ATOM 0 H LYS p 56 -0.575 -10.279 -2.356 1.00 0.00 H new ATOM 0 HA LYS p 56 -2.937 -9.068 -1.209 1.00 0.00 H new ATOM 0 HB2 LYS p 56 -0.092 -9.452 -0.435 1.00 0.00 H new ATOM 0 HB3 LYS p 56 -0.931 -8.096 0.290 1.00 0.00 H new ATOM 0 HG2 LYS p 56 -2.235 -10.817 0.305 1.00 0.00 H new ATOM 0 HG3 LYS p 56 -0.954 -10.471 1.449 1.00 0.00 H new ATOM 0 HD2 LYS p 56 -2.211 -8.495 2.281 1.00 0.00 H new ATOM 0 HD3 LYS p 56 -3.484 -8.802 1.116 1.00 0.00 H new ATOM 0 HE2 LYS p 56 -3.882 -11.038 2.161 1.00 0.00 H new ATOM 0 HE3 LYS p 56 -2.632 -10.698 3.342 1.00 0.00 H new ATOM 0 HZ1 LYS p 56 -4.823 -10.219 4.222 1.00 0.00 H new ATOM 0 HZ2 LYS p 56 -3.917 -8.787 4.111 1.00 0.00 H new ATOM 0 HZ3 LYS p 56 -5.128 -9.117 2.967 1.00 0.00 H new ATOM 903 N LEU p 57 -1.009 -7.405 -3.124 1.00 0.00 N ATOM 904 CA LEU p 57 -0.718 -6.224 -3.882 1.00 0.00 C ATOM 905 C LEU p 57 -1.803 -6.100 -4.933 1.00 0.00 C ATOM 906 O LEU p 57 -2.280 -5.010 -5.234 1.00 0.00 O ATOM 907 CB LEU p 57 0.677 -6.372 -4.518 1.00 0.00 C ATOM 908 CG LEU p 57 0.969 -5.528 -5.762 1.00 0.00 C ATOM 909 CD1 LEU p 57 0.876 -4.057 -5.431 1.00 0.00 C ATOM 910 CD2 LEU p 57 2.331 -5.887 -6.316 1.00 0.00 C ATOM 0 H LEU p 57 -0.609 -8.243 -3.546 1.00 0.00 H new ATOM 0 HA LEU p 57 -0.704 -5.326 -3.264 1.00 0.00 H new ATOM 0 HB2 LEU p 57 1.422 -6.127 -3.761 1.00 0.00 H new ATOM 0 HB3 LEU p 57 0.820 -7.421 -4.779 1.00 0.00 H new ATOM 0 HG LEU p 57 0.223 -5.741 -6.528 1.00 0.00 H new ATOM 0 HD11 LEU p 57 1.086 -3.469 -6.324 1.00 0.00 H new ATOM 0 HD12 LEU p 57 -0.128 -3.827 -5.073 1.00 0.00 H new ATOM 0 HD13 LEU p 57 1.603 -3.812 -4.656 1.00 0.00 H new ATOM 0 HD21 LEU p 57 2.534 -5.284 -7.201 1.00 0.00 H new ATOM 0 HD22 LEU p 57 3.093 -5.693 -5.562 1.00 0.00 H new ATOM 0 HD23 LEU p 57 2.348 -6.943 -6.585 1.00 0.00 H new ATOM 922 N ALA p 58 -2.155 -7.270 -5.491 1.00 0.00 N ATOM 923 CA ALA p 58 -3.244 -7.381 -6.480 1.00 0.00 C ATOM 924 C ALA p 58 -4.588 -7.139 -5.791 1.00 0.00 C ATOM 925 O ALA p 58 -5.602 -6.856 -6.435 1.00 0.00 O ATOM 926 CB ALA p 58 -3.236 -8.745 -7.155 1.00 0.00 C ATOM 0 H ALA p 58 -1.700 -8.157 -5.274 1.00 0.00 H new ATOM 0 HA ALA p 58 -3.090 -6.626 -7.251 1.00 0.00 H new ATOM 0 HB1 ALA p 58 -4.049 -8.798 -7.879 1.00 0.00 H new ATOM 0 HB2 ALA p 58 -2.285 -8.892 -7.667 1.00 0.00 H new ATOM 0 HB3 ALA p 58 -3.368 -9.524 -6.404 1.00 0.00 H new ATOM 932 N GLN p 59 -4.548 -7.257 -4.459 1.00 0.00 N ATOM 933 CA GLN p 59 -5.665 -7.034 -3.585 1.00 0.00 C ATOM 934 C GLN p 59 -5.600 -5.592 -3.083 1.00 0.00 C ATOM 935 O GLN p 59 -6.609 -5.010 -2.708 1.00 0.00 O ATOM 936 CB GLN p 59 -5.560 -8.038 -2.435 1.00 0.00 C ATOM 937 CG GLN p 59 -6.343 -7.668 -1.199 1.00 0.00 C ATOM 938 CD GLN p 59 -7.280 -8.766 -0.735 1.00 0.00 C ATOM 939 OE1 GLN p 59 -6.898 -9.630 0.054 1.00 0.00 O ATOM 940 NE2 GLN p 59 -8.514 -8.738 -1.223 1.00 0.00 N ATOM 0 H GLN p 59 -3.699 -7.521 -3.959 1.00 0.00 H new ATOM 0 HA GLN p 59 -6.620 -7.176 -4.091 1.00 0.00 H new ATOM 0 HB2 GLN p 59 -5.903 -9.011 -2.788 1.00 0.00 H new ATOM 0 HB3 GLN p 59 -4.510 -8.150 -2.163 1.00 0.00 H new ATOM 0 HG2 GLN p 59 -5.648 -7.428 -0.394 1.00 0.00 H new ATOM 0 HG3 GLN p 59 -6.921 -6.766 -1.400 1.00 0.00 H new ATOM 0 HE21 GLN p 59 -8.788 -8.003 -1.875 1.00 0.00 H new ATOM 0 HE22 GLN p 59 -9.188 -9.451 -0.946 1.00 0.00 H new ATOM 949 N LEU p 60 -4.374 -5.062 -3.084 1.00 0.00 N ATOM 950 CA LEU p 60 -4.067 -3.688 -2.675 1.00 0.00 C ATOM 951 C LEU p 60 -4.226 -2.754 -3.877 1.00 0.00 C ATOM 952 O LEU p 60 -4.225 -1.538 -3.744 1.00 0.00 O ATOM 953 CB LEU p 60 -2.633 -3.614 -2.114 1.00 0.00 C ATOM 954 CG LEU p 60 -2.200 -2.293 -1.440 1.00 0.00 C ATOM 955 CD1 LEU p 60 -1.467 -1.424 -2.446 1.00 0.00 C ATOM 956 CD2 LEU p 60 -3.394 -1.545 -0.862 1.00 0.00 C ATOM 0 H LEU p 60 -3.549 -5.587 -3.375 1.00 0.00 H new ATOM 0 HA LEU p 60 -4.757 -3.376 -1.891 1.00 0.00 H new ATOM 0 HB2 LEU p 60 -2.514 -4.418 -1.387 1.00 0.00 H new ATOM 0 HB3 LEU p 60 -1.941 -3.818 -2.931 1.00 0.00 H new ATOM 0 HG LEU p 60 -1.532 -2.533 -0.613 1.00 0.00 H new ATOM 0 HD11 LEU p 60 -1.162 -0.493 -1.969 1.00 0.00 H new ATOM 0 HD12 LEU p 60 -0.585 -1.952 -2.808 1.00 0.00 H new ATOM 0 HD13 LEU p 60 -2.127 -1.203 -3.285 1.00 0.00 H new ATOM 0 HD21 LEU p 60 -3.053 -0.621 -0.396 1.00 0.00 H new ATOM 0 HD22 LEU p 60 -4.098 -1.310 -1.661 1.00 0.00 H new ATOM 0 HD23 LEU p 60 -3.887 -2.168 -0.116 1.00 0.00 H new ATOM 968 N LYS p 61 -4.339 -3.392 -5.030 1.00 0.00 N ATOM 969 CA LYS p 61 -4.536 -2.776 -6.334 1.00 0.00 C ATOM 970 C LYS p 61 -6.025 -2.773 -6.596 1.00 0.00 C ATOM 971 O LYS p 61 -6.577 -1.874 -7.237 1.00 0.00 O ATOM 972 CB LYS p 61 -3.797 -3.582 -7.404 1.00 0.00 C ATOM 973 CG LYS p 61 -2.479 -2.962 -7.848 1.00 0.00 C ATOM 974 CD LYS p 61 -2.657 -2.054 -9.057 1.00 0.00 C ATOM 975 CE LYS p 61 -1.333 -1.442 -9.487 1.00 0.00 C ATOM 976 NZ LYS p 61 -1.504 -0.491 -10.619 1.00 0.00 N ATOM 0 H LYS p 61 -4.293 -4.409 -5.086 1.00 0.00 H new ATOM 0 HA LYS p 61 -4.143 -1.760 -6.359 1.00 0.00 H new ATOM 0 HB2 LYS p 61 -3.604 -4.584 -7.021 1.00 0.00 H new ATOM 0 HB3 LYS p 61 -4.445 -3.693 -8.273 1.00 0.00 H new ATOM 0 HG2 LYS p 61 -2.051 -2.390 -7.024 1.00 0.00 H new ATOM 0 HG3 LYS p 61 -1.769 -3.753 -8.090 1.00 0.00 H new ATOM 0 HD2 LYS p 61 -3.082 -2.624 -9.883 1.00 0.00 H new ATOM 0 HD3 LYS p 61 -3.366 -1.261 -8.818 1.00 0.00 H new ATOM 0 HE2 LYS p 61 -0.881 -0.923 -8.642 1.00 0.00 H new ATOM 0 HE3 LYS p 61 -0.644 -2.235 -9.779 1.00 0.00 H new ATOM 0 HZ1 LYS p 61 -0.579 -0.095 -10.883 1.00 0.00 H new ATOM 0 HZ2 LYS p 61 -1.912 -0.992 -11.434 1.00 0.00 H new ATOM 0 HZ3 LYS p 61 -2.141 0.279 -10.332 1.00 0.00 H new ATOM 990 N TRP p 62 -6.649 -3.825 -6.058 1.00 0.00 N ATOM 991 CA TRP p 62 -8.086 -4.011 -6.096 1.00 0.00 C ATOM 992 C TRP p 62 -8.680 -3.205 -4.959 1.00 0.00 C ATOM 993 O TRP p 62 -9.838 -2.788 -5.011 1.00 0.00 O ATOM 994 CB TRP p 62 -8.454 -5.489 -5.965 1.00 0.00 C ATOM 995 CG TRP p 62 -9.252 -6.004 -7.126 1.00 0.00 C ATOM 996 CD1 TRP p 62 -8.757 -6.479 -8.306 1.00 0.00 C ATOM 997 CD2 TRP p 62 -10.682 -6.094 -7.225 1.00 0.00 C ATOM 998 NE1 TRP p 62 -9.786 -6.859 -9.132 1.00 0.00 N ATOM 999 CE2 TRP p 62 -10.976 -6.633 -8.492 1.00 0.00 C ATOM 1000 CE3 TRP p 62 -11.744 -5.774 -6.368 1.00 0.00 C ATOM 1001 CZ2 TRP p 62 -12.280 -6.859 -8.923 1.00 0.00 C ATOM 1002 CZ3 TRP p 62 -13.037 -5.999 -6.798 1.00 0.00 C ATOM 1003 CH2 TRP p 62 -13.297 -6.537 -8.065 1.00 0.00 C ATOM 0 H TRP p 62 -6.155 -4.577 -5.579 1.00 0.00 H new ATOM 0 HA TRP p 62 -8.484 -3.671 -7.052 1.00 0.00 H new ATOM 0 HB2 TRP p 62 -7.541 -6.077 -5.870 1.00 0.00 H new ATOM 0 HB3 TRP p 62 -9.024 -5.635 -5.047 1.00 0.00 H new ATOM 0 HD1 TRP p 62 -7.708 -6.546 -8.554 1.00 0.00 H new ATOM 0 HE1 TRP p 62 -9.681 -7.247 -10.070 1.00 0.00 H new ATOM 0 HE3 TRP p 62 -11.555 -5.359 -5.389 1.00 0.00 H new ATOM 0 HZ2 TRP p 62 -12.482 -7.274 -9.900 1.00 0.00 H new ATOM 0 HZ3 TRP p 62 -13.863 -5.756 -6.146 1.00 0.00 H new ATOM 0 HH2 TRP p 62 -14.320 -6.701 -8.371 1.00 0.00 H new ATOM 1014 N LYS p 63 -7.850 -3.011 -3.918 1.00 0.00 N ATOM 1015 CA LYS p 63 -8.231 -2.180 -2.764 1.00 0.00 C ATOM 1016 C LYS p 63 -7.765 -0.736 -2.981 1.00 0.00 C ATOM 1017 O LYS p 63 -8.177 0.166 -2.262 1.00 0.00 O ATOM 1018 CB LYS p 63 -7.652 -2.724 -1.458 1.00 0.00 C ATOM 1019 CG LYS p 63 -8.559 -3.719 -0.743 1.00 0.00 C ATOM 1020 CD LYS p 63 -9.479 -3.027 0.252 1.00 0.00 C ATOM 1021 CE LYS p 63 -10.398 -4.017 0.947 1.00 0.00 C ATOM 1022 NZ LYS p 63 -11.301 -3.343 1.919 1.00 0.00 N ATOM 0 H LYS p 63 -6.916 -3.416 -3.853 1.00 0.00 H new ATOM 0 HA LYS p 63 -9.318 -2.205 -2.682 1.00 0.00 H new ATOM 0 HB2 LYS p 63 -6.697 -3.205 -1.669 1.00 0.00 H new ATOM 0 HB3 LYS p 63 -7.447 -1.889 -0.788 1.00 0.00 H new ATOM 0 HG2 LYS p 63 -9.157 -4.259 -1.477 1.00 0.00 H new ATOM 0 HG3 LYS p 63 -7.950 -4.458 -0.222 1.00 0.00 H new ATOM 0 HD2 LYS p 63 -8.881 -2.501 0.996 1.00 0.00 H new ATOM 0 HD3 LYS p 63 -10.077 -2.276 -0.265 1.00 0.00 H new ATOM 0 HE2 LYS p 63 -10.994 -4.544 0.202 1.00 0.00 H new ATOM 0 HE3 LYS p 63 -9.800 -4.766 1.466 1.00 0.00 H new ATOM 0 HZ1 LYS p 63 -11.913 -4.051 2.373 1.00 0.00 H new ATOM 0 HZ2 LYS p 63 -10.733 -2.861 2.644 1.00 0.00 H new ATOM 0 HZ3 LYS p 63 -11.890 -2.646 1.420 1.00 0.00 H new ATOM 1036 N LEU p 64 -6.882 -0.564 -3.977 1.00 0.00 N ATOM 1037 CA LEU p 64 -6.294 0.726 -4.375 1.00 0.00 C ATOM 1038 C LEU p 64 -7.230 1.508 -5.256 1.00 0.00 C ATOM 1039 O LEU p 64 -7.320 2.711 -5.188 1.00 0.00 O ATOM 1040 CB LEU p 64 -5.026 0.442 -5.175 1.00 0.00 C ATOM 1041 CG LEU p 64 -3.971 1.525 -5.206 1.00 0.00 C ATOM 1042 CD1 LEU p 64 -3.183 1.464 -3.925 1.00 0.00 C ATOM 1043 CD2 LEU p 64 -3.082 1.309 -6.412 1.00 0.00 C ATOM 0 H LEU p 64 -6.547 -1.342 -4.545 1.00 0.00 H new ATOM 0 HA LEU p 64 -6.090 1.307 -3.476 1.00 0.00 H new ATOM 0 HB2 LEU p 64 -4.569 -0.463 -4.774 1.00 0.00 H new ATOM 0 HB3 LEU p 64 -5.317 0.224 -6.203 1.00 0.00 H new ATOM 0 HG LEU p 64 -4.425 2.513 -5.288 1.00 0.00 H new ATOM 0 HD11 LEU p 64 -2.417 2.240 -3.932 1.00 0.00 H new ATOM 0 HD12 LEU p 64 -3.852 1.622 -3.079 1.00 0.00 H new ATOM 0 HD13 LEU p 64 -2.709 0.487 -3.836 1.00 0.00 H new ATOM 0 HD21 LEU p 64 -2.317 2.085 -6.444 1.00 0.00 H new ATOM 0 HD22 LEU p 64 -2.605 0.332 -6.342 1.00 0.00 H new ATOM 0 HD23 LEU p 64 -3.683 1.355 -7.320 1.00 0.00 H new ATOM 1055 N GLN p 65 -7.828 0.744 -6.118 1.00 0.00 N ATOM 1056 CA GLN p 65 -8.819 1.140 -7.095 1.00 0.00 C ATOM 1057 C GLN p 65 -10.156 1.261 -6.378 1.00 0.00 C ATOM 1058 O GLN p 65 -11.104 1.854 -6.873 1.00 0.00 O ATOM 1059 CB GLN p 65 -8.838 0.054 -8.179 1.00 0.00 C ATOM 1060 CG GLN p 65 -10.159 -0.113 -8.902 1.00 0.00 C ATOM 1061 CD GLN p 65 -10.014 -0.158 -10.409 1.00 0.00 C ATOM 1062 OE1 GLN p 65 -9.805 -1.220 -10.993 1.00 0.00 O ATOM 1063 NE2 GLN p 65 -10.131 1.000 -11.050 1.00 0.00 N ATOM 0 H GLN p 65 -7.625 -0.254 -6.167 1.00 0.00 H new ATOM 0 HA GLN p 65 -8.600 2.100 -7.563 1.00 0.00 H new ATOM 0 HB2 GLN p 65 -8.066 0.283 -8.914 1.00 0.00 H new ATOM 0 HB3 GLN p 65 -8.570 -0.898 -7.721 1.00 0.00 H new ATOM 0 HG2 GLN p 65 -10.638 -1.031 -8.562 1.00 0.00 H new ATOM 0 HG3 GLN p 65 -10.820 0.710 -8.632 1.00 0.00 H new ATOM 0 HE21 GLN p 65 -10.304 1.858 -10.526 1.00 0.00 H new ATOM 0 HE22 GLN p 65 -10.047 1.031 -12.066 1.00 0.00 H new ATOM 1072 N ALA p 66 -10.162 0.652 -5.203 1.00 0.00 N ATOM 1073 CA ALA p 66 -11.296 0.638 -4.285 1.00 0.00 C ATOM 1074 C ALA p 66 -11.099 1.755 -3.285 1.00 0.00 C ATOM 1075 O ALA p 66 -12.052 2.263 -2.696 1.00 0.00 O ATOM 1076 CB ALA p 66 -11.429 -0.699 -3.573 1.00 0.00 C ATOM 0 H ALA p 66 -9.355 0.138 -4.849 1.00 0.00 H new ATOM 0 HA ALA p 66 -12.218 0.785 -4.848 1.00 0.00 H new ATOM 0 HB1 ALA p 66 -12.285 -0.669 -2.899 1.00 0.00 H new ATOM 0 HB2 ALA p 66 -11.575 -1.490 -4.309 1.00 0.00 H new ATOM 0 HB3 ALA p 66 -10.523 -0.898 -3.001 1.00 0.00 H new ATOM 1082 N LEU p 67 -9.817 2.102 -3.110 1.00 0.00 N ATOM 1083 CA LEU p 67 -9.382 3.178 -2.252 1.00 0.00 C ATOM 1084 C LEU p 67 -9.392 4.443 -3.088 1.00 0.00 C ATOM 1085 O LEU p 67 -9.775 5.503 -2.621 1.00 0.00 O ATOM 1086 CB LEU p 67 -7.975 2.870 -1.688 1.00 0.00 C ATOM 1087 CG LEU p 67 -6.822 3.777 -2.159 1.00 0.00 C ATOM 1088 CD1 LEU p 67 -6.841 5.098 -1.423 1.00 0.00 C ATOM 1089 CD2 LEU p 67 -5.484 3.102 -1.997 1.00 0.00 C ATOM 0 H LEU p 67 -9.047 1.623 -3.578 1.00 0.00 H new ATOM 0 HA LEU p 67 -10.043 3.299 -1.394 1.00 0.00 H new ATOM 0 HB2 LEU p 67 -8.026 2.923 -0.601 1.00 0.00 H new ATOM 0 HB3 LEU p 67 -7.724 1.841 -1.945 1.00 0.00 H new ATOM 0 HG LEU p 67 -6.972 3.969 -3.221 1.00 0.00 H new ATOM 0 HD11 LEU p 67 -6.018 5.721 -1.773 1.00 0.00 H new ATOM 0 HD12 LEU p 67 -7.787 5.606 -1.612 1.00 0.00 H new ATOM 0 HD13 LEU p 67 -6.732 4.920 -0.353 1.00 0.00 H new ATOM 0 HD21 LEU p 67 -4.695 3.771 -2.339 1.00 0.00 H new ATOM 0 HD22 LEU p 67 -5.324 2.859 -0.946 1.00 0.00 H new ATOM 0 HD23 LEU p 67 -5.465 2.186 -2.588 1.00 0.00 H new ATOM 1101 N LYS p 68 -8.905 4.277 -4.324 1.00 0.00 N ATOM 1102 CA LYS p 68 -8.867 5.335 -5.337 1.00 0.00 C ATOM 1103 C LYS p 68 -10.270 5.610 -5.805 1.00 0.00 C ATOM 1104 O LYS p 68 -10.577 6.718 -6.234 1.00 0.00 O ATOM 1105 CB LYS p 68 -7.967 4.989 -6.522 1.00 0.00 C ATOM 1106 CG LYS p 68 -6.516 5.384 -6.312 1.00 0.00 C ATOM 1107 CD LYS p 68 -5.655 5.012 -7.507 1.00 0.00 C ATOM 1108 CE LYS p 68 -4.184 5.278 -7.233 1.00 0.00 C ATOM 1109 NZ LYS p 68 -3.325 4.890 -8.385 1.00 0.00 N ATOM 0 H LYS p 68 -8.521 3.391 -4.652 1.00 0.00 H new ATOM 0 HA LYS p 68 -8.438 6.225 -4.877 1.00 0.00 H new ATOM 0 HB2 LYS p 68 -8.021 3.916 -6.709 1.00 0.00 H new ATOM 0 HB3 LYS p 68 -8.346 5.487 -7.414 1.00 0.00 H new ATOM 0 HG2 LYS p 68 -6.453 6.458 -6.138 1.00 0.00 H new ATOM 0 HG3 LYS p 68 -6.131 4.893 -5.419 1.00 0.00 H new ATOM 0 HD2 LYS p 68 -5.798 3.958 -7.746 1.00 0.00 H new ATOM 0 HD3 LYS p 68 -5.974 5.583 -8.379 1.00 0.00 H new ATOM 0 HE2 LYS p 68 -4.041 6.336 -7.014 1.00 0.00 H new ATOM 0 HE3 LYS p 68 -3.874 4.724 -6.347 1.00 0.00 H new ATOM 0 HZ1 LYS p 68 -2.330 5.087 -8.158 1.00 0.00 H new ATOM 0 HZ2 LYS p 68 -3.441 3.875 -8.578 1.00 0.00 H new ATOM 0 HZ3 LYS p 68 -3.603 5.436 -9.225 1.00 0.00 H new ATOM 1123 N LYS p 69 -11.112 4.563 -5.745 1.00 0.00 N ATOM 1124 CA LYS p 69 -12.532 4.715 -6.047 1.00 0.00 C ATOM 1125 C LYS p 69 -13.183 5.366 -4.844 1.00 0.00 C ATOM 1126 O LYS p 69 -14.156 6.095 -4.974 1.00 0.00 O ATOM 1127 CB LYS p 69 -13.203 3.378 -6.340 1.00 0.00 C ATOM 1128 CG LYS p 69 -13.675 3.221 -7.777 1.00 0.00 C ATOM 1129 CD LYS p 69 -15.108 3.712 -7.961 1.00 0.00 C ATOM 1130 CE LYS p 69 -15.542 3.670 -9.419 1.00 0.00 C ATOM 1131 NZ LYS p 69 -14.858 4.707 -10.241 1.00 0.00 N ATOM 0 H LYS p 69 -10.831 3.616 -5.492 1.00 0.00 H new ATOM 0 HA LYS p 69 -12.646 5.326 -6.943 1.00 0.00 H new ATOM 0 HB2 LYS p 69 -12.504 2.575 -6.109 1.00 0.00 H new ATOM 0 HB3 LYS p 69 -14.057 3.259 -5.673 1.00 0.00 H new ATOM 0 HG2 LYS p 69 -13.012 3.778 -8.440 1.00 0.00 H new ATOM 0 HG3 LYS p 69 -13.610 2.173 -8.068 1.00 0.00 H new ATOM 0 HD2 LYS p 69 -15.781 3.097 -7.364 1.00 0.00 H new ATOM 0 HD3 LYS p 69 -15.193 4.732 -7.587 1.00 0.00 H new ATOM 0 HE2 LYS p 69 -15.329 2.684 -9.831 1.00 0.00 H new ATOM 0 HE3 LYS p 69 -16.621 3.815 -9.479 1.00 0.00 H new ATOM 0 HZ1 LYS p 69 -15.281 4.731 -11.191 1.00 0.00 H new ATOM 0 HZ2 LYS p 69 -14.969 5.637 -9.789 1.00 0.00 H new ATOM 0 HZ3 LYS p 69 -13.847 4.478 -10.318 1.00 0.00 H new ATOM 1145 N LYS p 70 -12.561 5.105 -3.679 1.00 0.00 N ATOM 1146 CA LYS p 70 -12.967 5.655 -2.388 1.00 0.00 C ATOM 1147 C LYS p 70 -12.310 7.007 -2.213 1.00 0.00 C ATOM 1148 O LYS p 70 -12.750 7.824 -1.416 1.00 0.00 O ATOM 1149 CB LYS p 70 -12.556 4.727 -1.254 1.00 0.00 C ATOM 1150 CG LYS p 70 -13.718 4.011 -0.579 1.00 0.00 C ATOM 1151 CD LYS p 70 -14.203 4.759 0.655 1.00 0.00 C ATOM 1152 CE LYS p 70 -15.377 4.048 1.309 1.00 0.00 C ATOM 1153 NZ LYS p 70 -15.839 4.754 2.536 1.00 0.00 N ATOM 0 H LYS p 70 -11.747 4.493 -3.616 1.00 0.00 H new ATOM 0 HA LYS p 70 -14.052 5.758 -2.363 1.00 0.00 H new ATOM 0 HB2 LYS p 70 -11.862 3.982 -1.643 1.00 0.00 H new ATOM 0 HB3 LYS p 70 -12.016 5.305 -0.504 1.00 0.00 H new ATOM 0 HG2 LYS p 70 -14.540 3.906 -1.287 1.00 0.00 H new ATOM 0 HG3 LYS p 70 -13.410 3.004 -0.296 1.00 0.00 H new ATOM 0 HD2 LYS p 70 -13.386 4.851 1.371 1.00 0.00 H new ATOM 0 HD3 LYS p 70 -14.498 5.771 0.377 1.00 0.00 H new ATOM 0 HE2 LYS p 70 -16.201 3.978 0.599 1.00 0.00 H new ATOM 0 HE3 LYS p 70 -15.088 3.028 1.564 1.00 0.00 H new ATOM 0 HZ1 LYS p 70 -16.640 4.238 2.952 1.00 0.00 H new ATOM 0 HZ2 LYS p 70 -15.061 4.799 3.224 1.00 0.00 H new ATOM 0 HZ3 LYS p 70 -16.139 5.719 2.289 1.00 0.00 H new ATOM 1167 N ASN p 71 -11.209 7.178 -2.959 1.00 0.00 N ATOM 1168 CA ASN p 71 -10.465 8.436 -3.029 1.00 0.00 C ATOM 1169 C ASN p 71 -11.125 9.271 -4.119 1.00 0.00 C ATOM 1170 O ASN p 71 -10.862 10.458 -4.269 1.00 0.00 O ATOM 1171 CB ASN p 71 -8.984 8.215 -3.344 1.00 0.00 C ATOM 1172 CG ASN p 71 -8.088 9.229 -2.656 1.00 0.00 C ATOM 1173 OD1 ASN p 71 -7.803 10.294 -3.199 1.00 0.00 O ATOM 1174 ND2 ASN p 71 -7.636 8.896 -1.452 1.00 0.00 N ATOM 0 H ASN p 71 -10.809 6.437 -3.535 1.00 0.00 H new ATOM 0 HA ASN p 71 -10.494 8.940 -2.063 1.00 0.00 H new ATOM 0 HB2 ASN p 71 -8.696 7.210 -3.035 1.00 0.00 H new ATOM 0 HB3 ASN p 71 -8.832 8.272 -4.422 1.00 0.00 H new ATOM 0 HD21 ASN p 71 -7.027 9.535 -0.941 1.00 0.00 H new ATOM 0 HD22 ASN p 71 -7.898 8.001 -1.038 1.00 0.00 H new ATOM 1181 N ALA p 72 -11.967 8.556 -4.888 1.00 0.00 N ATOM 1182 CA ALA p 72 -12.801 9.094 -5.954 1.00 0.00 C ATOM 1183 C ALA p 72 -14.138 9.416 -5.333 1.00 0.00 C ATOM 1184 O ALA p 72 -14.889 10.246 -5.831 1.00 0.00 O ATOM 1185 CB ALA p 72 -12.969 8.105 -7.098 1.00 0.00 C ATOM 0 H ALA p 72 -12.082 7.549 -4.771 1.00 0.00 H new ATOM 0 HA ALA p 72 -12.335 9.980 -6.385 1.00 0.00 H new ATOM 0 HB1 ALA p 72 -13.598 8.546 -7.871 1.00 0.00 H new ATOM 0 HB2 ALA p 72 -11.992 7.865 -7.518 1.00 0.00 H new ATOM 0 HB3 ALA p 72 -13.438 7.194 -6.726 1.00 0.00 H new ATOM 1191 N GLN p 73 -14.407 8.688 -4.230 1.00 0.00 N ATOM 1192 CA GLN p 73 -15.589 8.862 -3.396 1.00 0.00 C ATOM 1193 C GLN p 73 -15.258 9.941 -2.415 1.00 0.00 C ATOM 1194 O GLN p 73 -16.118 10.648 -1.910 1.00 0.00 O ATOM 1195 CB GLN p 73 -15.902 7.591 -2.636 1.00 0.00 C ATOM 1196 CG GLN p 73 -16.244 6.446 -3.540 1.00 0.00 C ATOM 1197 CD GLN p 73 -17.618 5.861 -3.281 1.00 0.00 C ATOM 1198 OE1 GLN p 73 -18.612 6.297 -3.862 1.00 0.00 O ATOM 1199 NE2 GLN p 73 -17.682 4.866 -2.403 1.00 0.00 N ATOM 0 H GLN p 73 -13.788 7.949 -3.897 1.00 0.00 H new ATOM 0 HA GLN p 73 -16.455 9.111 -4.010 1.00 0.00 H new ATOM 0 HB2 GLN p 73 -15.044 7.319 -2.021 1.00 0.00 H new ATOM 0 HB3 GLN p 73 -16.735 7.774 -1.957 1.00 0.00 H new ATOM 0 HG2 GLN p 73 -16.190 6.782 -4.575 1.00 0.00 H new ATOM 0 HG3 GLN p 73 -15.496 5.663 -3.420 1.00 0.00 H new ATOM 0 HE21 GLN p 73 -16.833 4.535 -1.944 1.00 0.00 H new ATOM 0 HE22 GLN p 73 -18.580 4.433 -2.188 1.00 0.00 H new ATOM 1208 N LEU p 74 -13.957 9.978 -2.140 1.00 0.00 N ATOM 1209 CA LEU p 74 -13.333 10.980 -1.280 1.00 0.00 C ATOM 1210 C LEU p 74 -13.123 12.237 -2.103 1.00 0.00 C ATOM 1211 O LEU p 74 -13.193 13.333 -1.601 1.00 0.00 O ATOM 1212 CB LEU p 74 -11.999 10.475 -0.739 1.00 0.00 C ATOM 1213 CG LEU p 74 -11.454 11.157 0.517 1.00 0.00 C ATOM 1214 CD1 LEU p 74 -12.190 10.701 1.774 1.00 0.00 C ATOM 1215 CD2 LEU p 74 -9.977 10.853 0.619 1.00 0.00 C ATOM 0 H LEU p 74 -13.294 9.300 -2.516 1.00 0.00 H new ATOM 0 HA LEU p 74 -13.977 11.187 -0.426 1.00 0.00 H new ATOM 0 HB2 LEU p 74 -12.100 9.410 -0.529 1.00 0.00 H new ATOM 0 HB3 LEU p 74 -11.254 10.575 -1.528 1.00 0.00 H new ATOM 0 HG LEU p 74 -11.612 12.233 0.438 1.00 0.00 H new ATOM 0 HD11 LEU p 74 -11.773 11.208 2.644 1.00 0.00 H new ATOM 0 HD12 LEU p 74 -13.249 10.945 1.684 1.00 0.00 H new ATOM 0 HD13 LEU p 74 -12.075 9.624 1.893 1.00 0.00 H new ATOM 0 HD21 LEU p 74 -9.568 11.331 1.509 1.00 0.00 H new ATOM 0 HD22 LEU p 74 -9.831 9.775 0.686 1.00 0.00 H new ATOM 0 HD23 LEU p 74 -9.465 11.234 -0.265 1.00 0.00 H new ATOM 1227 N LYS p 75 -12.902 12.027 -3.397 1.00 0.00 N ATOM 1228 CA LYS p 75 -12.735 13.106 -4.367 1.00 0.00 C ATOM 1229 C LYS p 75 -14.122 13.548 -4.759 1.00 0.00 C ATOM 1230 O LYS p 75 -14.337 14.655 -5.263 1.00 0.00 O ATOM 1231 CB LYS p 75 -11.968 12.637 -5.597 1.00 0.00 C ATOM 1232 CG LYS p 75 -10.663 13.379 -5.844 1.00 0.00 C ATOM 1233 CD LYS p 75 -10.738 14.243 -7.092 1.00 0.00 C ATOM 1234 CE LYS p 75 -9.433 14.987 -7.331 1.00 0.00 C ATOM 1235 NZ LYS p 75 -9.495 15.839 -8.551 1.00 0.00 N ATOM 0 H LYS p 75 -12.833 11.095 -3.806 1.00 0.00 H new ATOM 0 HA LYS p 75 -12.160 13.922 -3.930 1.00 0.00 H new ATOM 0 HB2 LYS p 75 -11.753 11.574 -5.493 1.00 0.00 H new ATOM 0 HB3 LYS p 75 -12.607 12.749 -6.473 1.00 0.00 H new ATOM 0 HG2 LYS p 75 -10.430 14.004 -4.982 1.00 0.00 H new ATOM 0 HG3 LYS p 75 -9.849 12.661 -5.946 1.00 0.00 H new ATOM 0 HD2 LYS p 75 -10.966 13.618 -7.956 1.00 0.00 H new ATOM 0 HD3 LYS p 75 -11.554 14.959 -6.992 1.00 0.00 H new ATOM 0 HE2 LYS p 75 -9.206 15.609 -6.465 1.00 0.00 H new ATOM 0 HE3 LYS p 75 -8.619 14.269 -7.430 1.00 0.00 H new ATOM 0 HZ1 LYS p 75 -8.587 16.329 -8.679 1.00 0.00 H new ATOM 0 HZ2 LYS p 75 -9.687 15.243 -9.381 1.00 0.00 H new ATOM 0 HZ3 LYS p 75 -10.255 16.541 -8.446 1.00 0.00 H new ATOM 1249 N LYS p 76 -15.058 12.626 -4.503 1.00 0.00 N ATOM 1250 CA LYS p 76 -16.475 12.870 -4.724 1.00 0.00 C ATOM 1251 C LYS p 76 -17.028 13.505 -3.472 1.00 0.00 C ATOM 1252 O LYS p 76 -17.957 14.315 -3.523 1.00 0.00 O ATOM 1253 CB LYS p 76 -17.220 11.582 -5.044 1.00 0.00 C ATOM 1254 CG LYS p 76 -17.611 11.438 -6.508 1.00 0.00 C ATOM 1255 CD LYS p 76 -19.026 11.936 -6.769 1.00 0.00 C ATOM 1256 CE LYS p 76 -19.415 11.765 -8.229 1.00 0.00 C ATOM 1257 NZ LYS p 76 -20.801 12.243 -8.494 1.00 0.00 N ATOM 0 H LYS p 76 -14.849 11.697 -4.139 1.00 0.00 H new ATOM 0 HA LYS p 76 -16.606 13.530 -5.582 1.00 0.00 H new ATOM 0 HB2 LYS p 76 -16.596 10.734 -4.760 1.00 0.00 H new ATOM 0 HB3 LYS p 76 -18.121 11.534 -4.432 1.00 0.00 H new ATOM 0 HG2 LYS p 76 -16.909 11.996 -7.128 1.00 0.00 H new ATOM 0 HG3 LYS p 76 -17.534 10.392 -6.803 1.00 0.00 H new ATOM 0 HD2 LYS p 76 -19.727 11.390 -6.138 1.00 0.00 H new ATOM 0 HD3 LYS p 76 -19.100 12.988 -6.492 1.00 0.00 H new ATOM 0 HE2 LYS p 76 -18.715 12.315 -8.858 1.00 0.00 H new ATOM 0 HE3 LYS p 76 -19.334 10.714 -8.506 1.00 0.00 H new ATOM 0 HZ1 LYS p 76 -21.028 12.109 -9.500 1.00 0.00 H new ATOM 0 HZ2 LYS p 76 -21.472 11.701 -7.913 1.00 0.00 H new ATOM 0 HZ3 LYS p 76 -20.872 13.253 -8.254 1.00 0.00 H new ATOM 1271 N LYS p 77 -16.430 13.113 -2.339 1.00 0.00 N ATOM 1272 CA LYS p 77 -16.780 13.681 -1.052 1.00 0.00 C ATOM 1273 C LYS p 77 -15.970 14.952 -0.816 1.00 0.00 C ATOM 1274 O LYS p 77 -16.306 15.763 0.053 1.00 0.00 O ATOM 1275 CB LYS p 77 -16.542 12.677 0.066 1.00 0.00 C ATOM 1276 CG LYS p 77 -17.771 11.864 0.426 1.00 0.00 C ATOM 1277 CD LYS p 77 -17.595 11.139 1.750 1.00 0.00 C ATOM 1278 CE LYS p 77 -18.836 10.340 2.116 1.00 0.00 C ATOM 1279 NZ LYS p 77 -18.693 9.662 3.435 1.00 0.00 N ATOM 0 H LYS p 77 -15.700 12.401 -2.299 1.00 0.00 H new ATOM 0 HA LYS p 77 -17.841 13.931 -1.054 1.00 0.00 H new ATOM 0 HB2 LYS p 77 -15.742 11.998 -0.231 1.00 0.00 H new ATOM 0 HB3 LYS p 77 -16.196 13.209 0.953 1.00 0.00 H new ATOM 0 HG2 LYS p 77 -18.639 12.521 0.483 1.00 0.00 H new ATOM 0 HG3 LYS p 77 -17.972 11.139 -0.363 1.00 0.00 H new ATOM 0 HD2 LYS p 77 -16.736 10.471 1.689 1.00 0.00 H new ATOM 0 HD3 LYS p 77 -17.381 11.862 2.537 1.00 0.00 H new ATOM 0 HE2 LYS p 77 -19.700 11.004 2.141 1.00 0.00 H new ATOM 0 HE3 LYS p 77 -19.028 9.595 1.344 1.00 0.00 H new ATOM 0 HZ1 LYS p 77 -19.560 9.128 3.647 1.00 0.00 H new ATOM 0 HZ2 LYS p 77 -17.884 9.009 3.404 1.00 0.00 H new ATOM 0 HZ3 LYS p 77 -18.535 10.374 4.176 1.00 0.00 H new ATOM 1293 N LEU p 78 -14.893 15.112 -1.612 1.00 0.00 N ATOM 1294 CA LEU p 78 -14.024 16.291 -1.543 1.00 0.00 C ATOM 1295 C LEU p 78 -14.796 17.593 -1.802 1.00 0.00 C ATOM 1296 O LEU p 78 -14.835 18.490 -0.956 1.00 0.00 O ATOM 1297 CB LEU p 78 -12.877 16.106 -2.559 1.00 0.00 C ATOM 1298 CG LEU p 78 -11.946 17.298 -2.807 1.00 0.00 C ATOM 1299 CD1 LEU p 78 -11.169 17.633 -1.551 1.00 0.00 C ATOM 1300 CD2 LEU p 78 -11.008 16.979 -3.955 1.00 0.00 C ATOM 0 H LEU p 78 -14.608 14.429 -2.314 1.00 0.00 H new ATOM 0 HA LEU p 78 -13.618 16.379 -0.535 1.00 0.00 H new ATOM 0 HB2 LEU p 78 -12.266 15.267 -2.226 1.00 0.00 H new ATOM 0 HB3 LEU p 78 -13.318 15.820 -3.514 1.00 0.00 H new ATOM 0 HG LEU p 78 -12.542 18.171 -3.073 1.00 0.00 H new ATOM 0 HD11 LEU p 78 -10.513 18.482 -1.745 1.00 0.00 H new ATOM 0 HD12 LEU p 78 -11.864 17.887 -0.750 1.00 0.00 H new ATOM 0 HD13 LEU p 78 -10.570 16.772 -1.253 1.00 0.00 H new ATOM 0 HD21 LEU p 78 -10.346 17.827 -4.131 1.00 0.00 H new ATOM 0 HD22 LEU p 78 -10.413 16.100 -3.705 1.00 0.00 H new ATOM 0 HD23 LEU p 78 -11.589 16.780 -4.855 1.00 0.00 H new ATOM 1312 N GLN p 79 -15.395 17.658 -2.979 1.00 0.00 N ATOM 1313 CA GLN p 79 -16.180 18.804 -3.425 1.00 0.00 C ATOM 1314 C GLN p 79 -17.637 18.711 -2.977 1.00 0.00 C ATOM 1315 O GLN p 79 -18.233 19.704 -2.549 1.00 0.00 O ATOM 1316 CB GLN p 79 -16.104 18.931 -4.956 1.00 0.00 C ATOM 1317 CG GLN p 79 -16.076 17.609 -5.723 1.00 0.00 C ATOM 1318 CD GLN p 79 -15.968 17.807 -7.223 1.00 0.00 C ATOM 1319 OE1 GLN p 79 -14.870 17.871 -7.775 1.00 0.00 O ATOM 1320 NE2 GLN p 79 -17.112 17.907 -7.890 1.00 0.00 N ATOM 0 H GLN p 79 -15.351 16.905 -3.665 1.00 0.00 H new ATOM 0 HA GLN p 79 -15.753 19.694 -2.963 1.00 0.00 H new ATOM 0 HB2 GLN p 79 -16.960 19.512 -5.298 1.00 0.00 H new ATOM 0 HB3 GLN p 79 -15.210 19.499 -5.213 1.00 0.00 H new ATOM 0 HG2 GLN p 79 -15.233 17.011 -5.378 1.00 0.00 H new ATOM 0 HG3 GLN p 79 -16.981 17.044 -5.499 1.00 0.00 H new ATOM 0 HE21 GLN p 79 -18.000 17.848 -7.391 1.00 0.00 H new ATOM 0 HE22 GLN p 79 -17.103 18.043 -8.901 1.00 0.00 H new ATOM 1329 N ALA p 80 -18.185 17.511 -3.086 1.00 0.00 N ATOM 1330 CA ALA p 80 -19.573 17.238 -2.711 1.00 0.00 C ATOM 1331 C ALA p 80 -19.658 16.601 -1.324 1.00 0.00 C ATOM 1332 O ALA p 80 -19.197 15.450 -1.164 1.00 0.00 O ATOM 1333 CB ALA p 80 -20.242 16.354 -3.758 1.00 0.00 C ATOM 1334 OXT ALA p 80 -20.188 17.263 -0.405 1.00 0.00 O ATOM 0 H ALA p 80 -17.684 16.695 -3.437 1.00 0.00 H new ATOM 0 HA ALA p 80 -20.106 18.188 -2.669 1.00 0.00 H new ATOM 0 HB1 ALA p 80 -21.274 16.160 -3.465 1.00 0.00 H new ATOM 0 HB2 ALA p 80 -20.228 16.860 -4.724 1.00 0.00 H new ATOM 0 HB3 ALA p 80 -19.703 15.410 -3.835 1.00 0.00 H new