USER MOD reduce.3.24.130724 H: found=0, std=0, add=523, rem=0, adj=1 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 :FLIP amide:sc=-0.00503 F(o=-0.64,f=-0.069) USER MOD Set 1.2: p 71 ASN : amide:sc= -0.0636 X(o=-0.069,f=-0.23) 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 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : p 24 GLN : amide:sc= -0.157 K(o=-0.16,f=-1.6) USER MOD Single : p 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : p 51 GLN : amide:sc=-0.00753 X(o=-0.0075,f=0) USER MOD Single : p 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : p 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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+ 180:sc= 0 (180deg=0) 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 -6.084 21.034 6.237 1.00 0.00 N ATOM 38 CA ALA p 3 -5.926 19.930 7.187 1.00 0.00 C ATOM 39 C ALA p 3 -6.577 18.670 6.639 1.00 0.00 C ATOM 40 O ALA p 3 -6.312 17.565 7.104 1.00 0.00 O ATOM 41 CB ALA p 3 -6.533 20.299 8.532 1.00 0.00 C ATOM 0 HA ALA p 3 -4.862 19.739 7.329 1.00 0.00 H new ATOM 0 HB1 ALA p 3 -6.408 19.469 9.228 1.00 0.00 H new ATOM 0 HB2 ALA p 3 -6.032 21.182 8.927 1.00 0.00 H new ATOM 0 HB3 ALA p 3 -7.595 20.510 8.406 1.00 0.00 H new ATOM 47 N LEU p 4 -7.448 18.889 5.650 1.00 0.00 N ATOM 48 CA LEU p 4 -8.185 17.848 4.958 1.00 0.00 C ATOM 49 C LEU p 4 -7.370 17.443 3.743 1.00 0.00 C ATOM 50 O LEU p 4 -7.333 16.278 3.344 1.00 0.00 O ATOM 51 CB LEU p 4 -9.588 18.371 4.560 1.00 0.00 C ATOM 52 CG LEU p 4 -10.564 17.367 3.902 1.00 0.00 C ATOM 53 CD1 LEU p 4 -10.440 17.419 2.388 1.00 0.00 C ATOM 54 CD2 LEU p 4 -10.319 15.951 4.401 1.00 0.00 C ATOM 0 H LEU p 4 -7.660 19.825 5.305 1.00 0.00 H new ATOM 0 HA LEU p 4 -8.338 16.979 5.598 1.00 0.00 H new ATOM 0 HB2 LEU p 4 -10.066 18.767 5.456 1.00 0.00 H new ATOM 0 HB3 LEU p 4 -9.453 19.208 3.874 1.00 0.00 H new ATOM 0 HG LEU p 4 -11.577 17.654 4.184 1.00 0.00 H new ATOM 0 HD11 LEU p 4 -11.134 16.706 1.941 1.00 0.00 H new ATOM 0 HD12 LEU p 4 -10.676 18.424 2.038 1.00 0.00 H new ATOM 0 HD13 LEU p 4 -9.421 17.164 2.097 1.00 0.00 H new ATOM 0 HD21 LEU p 4 -11.021 15.269 3.920 1.00 0.00 H new ATOM 0 HD22 LEU p 4 -9.299 15.652 4.160 1.00 0.00 H new ATOM 0 HD23 LEU p 4 -10.462 15.916 5.481 1.00 0.00 H new ATOM 66 N GLU p 5 -6.726 18.462 3.183 1.00 0.00 N ATOM 67 CA GLU p 5 -5.815 18.332 2.043 1.00 0.00 C ATOM 68 C GLU p 5 -4.477 17.856 2.568 1.00 0.00 C ATOM 69 O GLU p 5 -3.668 17.283 1.842 1.00 0.00 O ATOM 70 CB GLU p 5 -5.626 19.668 1.326 1.00 0.00 C ATOM 71 CG GLU p 5 -6.913 20.445 1.151 1.00 0.00 C ATOM 72 CD GLU p 5 -7.128 20.924 -0.272 1.00 0.00 C ATOM 73 OE1 GLU p 5 -7.734 20.175 -1.065 1.00 0.00 O ATOM 74 OE2 GLU p 5 -6.690 22.050 -0.591 1.00 0.00 O ATOM 0 H GLU p 5 -6.822 19.422 3.513 1.00 0.00 H new ATOM 0 HA GLU p 5 -6.235 17.625 1.328 1.00 0.00 H new ATOM 0 HB2 GLU p 5 -4.917 20.276 1.888 1.00 0.00 H new ATOM 0 HB3 GLU p 5 -5.184 19.487 0.346 1.00 0.00 H new ATOM 0 HG2 GLU p 5 -7.753 19.817 1.448 1.00 0.00 H new ATOM 0 HG3 GLU p 5 -6.906 21.305 1.821 1.00 0.00 H new ATOM 81 N LYS p 6 -4.282 18.147 3.859 1.00 0.00 N ATOM 82 CA LYS p 6 -3.082 17.743 4.609 1.00 0.00 C ATOM 83 C LYS p 6 -3.258 16.334 5.143 1.00 0.00 C ATOM 84 O LYS p 6 -2.291 15.617 5.334 1.00 0.00 O ATOM 85 CB LYS p 6 -2.800 18.683 5.772 1.00 0.00 C ATOM 86 CG LYS p 6 -1.406 19.292 5.740 1.00 0.00 C ATOM 87 CD LYS p 6 -1.200 20.270 6.885 1.00 0.00 C ATOM 88 CE LYS p 6 0.176 20.915 6.824 1.00 0.00 C ATOM 89 NZ LYS p 6 0.383 21.890 7.930 1.00 0.00 N ATOM 0 H LYS p 6 -4.954 18.672 4.418 1.00 0.00 H new ATOM 0 HA LYS p 6 -2.237 17.784 3.922 1.00 0.00 H new ATOM 0 HB2 LYS p 6 -3.538 19.485 5.767 1.00 0.00 H new ATOM 0 HB3 LYS p 6 -2.928 18.138 6.707 1.00 0.00 H new ATOM 0 HG2 LYS p 6 -0.660 18.499 5.798 1.00 0.00 H new ATOM 0 HG3 LYS p 6 -1.253 19.804 4.790 1.00 0.00 H new ATOM 0 HD2 LYS p 6 -1.968 21.043 6.848 1.00 0.00 H new ATOM 0 HD3 LYS p 6 -1.318 19.750 7.835 1.00 0.00 H new ATOM 0 HE2 LYS p 6 0.942 20.141 6.874 1.00 0.00 H new ATOM 0 HE3 LYS p 6 0.297 21.421 5.866 1.00 0.00 H new ATOM 0 HZ1 LYS p 6 1.333 22.307 7.852 1.00 0.00 H new ATOM 0 HZ2 LYS p 6 -0.332 22.643 7.867 1.00 0.00 H new ATOM 0 HZ3 LYS p 6 0.293 21.402 8.844 1.00 0.00 H new ATOM 103 N GLU p 7 -4.527 15.978 5.362 1.00 0.00 N ATOM 104 CA GLU p 7 -4.957 14.660 5.831 1.00 0.00 C ATOM 105 C GLU p 7 -4.989 13.751 4.612 1.00 0.00 C ATOM 106 O GLU p 7 -4.918 12.526 4.702 1.00 0.00 O ATOM 107 CB GLU p 7 -6.338 14.792 6.485 1.00 0.00 C ATOM 108 CG GLU p 7 -7.244 13.581 6.352 1.00 0.00 C ATOM 109 CD GLU p 7 -7.621 12.974 7.689 1.00 0.00 C ATOM 110 OE1 GLU p 7 -8.642 13.400 8.268 1.00 0.00 O ATOM 111 OE2 GLU p 7 -6.896 12.070 8.157 1.00 0.00 O ATOM 0 H GLU p 7 -5.306 16.619 5.213 1.00 0.00 H new ATOM 0 HA GLU p 7 -4.283 14.242 6.578 1.00 0.00 H new ATOM 0 HB2 GLU p 7 -6.200 15.005 7.545 1.00 0.00 H new ATOM 0 HB3 GLU p 7 -6.846 15.653 6.050 1.00 0.00 H new ATOM 0 HG2 GLU p 7 -8.151 13.869 5.821 1.00 0.00 H new ATOM 0 HG3 GLU p 7 -6.745 12.826 5.744 1.00 0.00 H new ATOM 118 N LEU p 8 -5.107 14.442 3.486 1.00 0.00 N ATOM 119 CA LEU p 8 -5.101 13.887 2.159 1.00 0.00 C ATOM 120 C LEU p 8 -3.650 13.842 1.723 1.00 0.00 C ATOM 121 O LEU p 8 -3.268 13.021 0.911 1.00 0.00 O ATOM 122 CB LEU p 8 -5.948 14.760 1.206 1.00 0.00 C ATOM 123 CG LEU p 8 -6.129 14.272 -0.250 1.00 0.00 C ATOM 124 CD1 LEU p 8 -5.094 14.924 -1.152 1.00 0.00 C ATOM 125 CD2 LEU p 8 -6.028 12.758 -0.346 1.00 0.00 C ATOM 0 H LEU p 8 -5.215 15.456 3.485 1.00 0.00 H new ATOM 0 HA LEU p 8 -5.540 12.889 2.139 1.00 0.00 H new ATOM 0 HB2 LEU p 8 -6.938 14.873 1.647 1.00 0.00 H new ATOM 0 HB3 LEU p 8 -5.499 15.753 1.173 1.00 0.00 H new ATOM 0 HG LEU p 8 -7.127 14.562 -0.579 1.00 0.00 H new ATOM 0 HD11 LEU p 8 -5.230 14.573 -2.175 1.00 0.00 H new ATOM 0 HD12 LEU p 8 -5.214 16.007 -1.120 1.00 0.00 H new ATOM 0 HD13 LEU p 8 -4.094 14.660 -0.808 1.00 0.00 H new ATOM 0 HD21 LEU p 8 -6.160 12.450 -1.383 1.00 0.00 H new ATOM 0 HD22 LEU p 8 -5.048 12.436 0.007 1.00 0.00 H new ATOM 0 HD23 LEU p 8 -6.803 12.302 0.270 1.00 0.00 H new ATOM 137 N ALA p 9 -2.876 14.769 2.312 1.00 0.00 N ATOM 138 CA ALA p 9 -1.425 14.887 2.111 1.00 0.00 C ATOM 139 C ALA p 9 -0.749 13.925 3.062 1.00 0.00 C ATOM 140 O ALA p 9 0.402 13.535 2.871 1.00 0.00 O ATOM 141 CB ALA p 9 -0.921 16.303 2.337 1.00 0.00 C ATOM 0 H ALA p 9 -3.250 15.469 2.953 1.00 0.00 H new ATOM 0 HA ALA p 9 -1.189 14.643 1.075 1.00 0.00 H new ATOM 0 HB1 ALA p 9 0.157 16.336 2.176 1.00 0.00 H new ATOM 0 HB2 ALA p 9 -1.413 16.980 1.639 1.00 0.00 H new ATOM 0 HB3 ALA p 9 -1.145 16.610 3.359 1.00 0.00 H new ATOM 147 N GLN p 10 -1.512 13.583 4.112 1.00 0.00 N ATOM 148 CA GLN p 10 -1.130 12.592 5.100 1.00 0.00 C ATOM 149 C GLN p 10 -1.483 11.282 4.491 1.00 0.00 C ATOM 150 O GLN p 10 -0.825 10.285 4.685 1.00 0.00 O ATOM 151 CB GLN p 10 -1.936 12.745 6.365 1.00 0.00 C ATOM 152 CG GLN p 10 -1.543 13.937 7.180 1.00 0.00 C ATOM 153 CD GLN p 10 -0.854 13.578 8.480 1.00 0.00 C ATOM 154 OE1 GLN p 10 0.370 13.454 8.535 1.00 0.00 O ATOM 155 NE2 GLN p 10 -1.638 13.407 9.539 1.00 0.00 N ATOM 0 H GLN p 10 -2.425 14.001 4.291 1.00 0.00 H new ATOM 0 HA GLN p 10 -0.075 12.690 5.356 1.00 0.00 H new ATOM 0 HB2 GLN p 10 -2.992 12.823 6.107 1.00 0.00 H new ATOM 0 HB3 GLN p 10 -1.821 11.846 6.971 1.00 0.00 H new ATOM 0 HG2 GLN p 10 -0.880 14.569 6.589 1.00 0.00 H new ATOM 0 HG3 GLN p 10 -2.433 14.526 7.400 1.00 0.00 H new ATOM 0 HE21 GLN p 10 -2.648 13.519 9.449 1.00 0.00 H new ATOM 0 HE22 GLN p 10 -1.230 13.163 10.442 1.00 0.00 H new ATOM 164 N ASN p 11 -2.602 11.372 3.774 1.00 0.00 N ATOM 165 CA ASN p 11 -3.175 10.276 2.978 1.00 0.00 C ATOM 166 C ASN p 11 -2.354 10.126 1.709 1.00 0.00 C ATOM 167 O ASN p 11 -2.377 9.080 1.063 1.00 0.00 O ATOM 168 CB ASN p 11 -4.644 10.513 2.632 1.00 0.00 C ATOM 169 CG ASN p 11 -5.432 9.220 2.532 1.00 0.00 C ATOM 170 OD1 ASN p 11 -5.471 8.643 1.337 1.00 0.00 O flip ATOM 171 ND2 ASN p 11 -5.997 8.747 3.518 1.00 0.00 N flip ATOM 0 H ASN p 11 -3.153 12.229 3.726 1.00 0.00 H new ATOM 0 HA ASN p 11 -3.139 9.362 3.572 1.00 0.00 H new ATOM 0 HB2 ASN p 11 -5.095 11.152 3.392 1.00 0.00 H new ATOM 0 HB3 ASN p 11 -4.709 11.049 1.685 1.00 0.00 H new ATOM 0 HD21 ASN p 11 -5.940 9.225 4.417 1.00 0.00 H new ATOM 0 HD22 ASN p 11 -6.522 7.877 3.436 1.00 0.00 H new ATOM 178 N GLU p 12 -1.654 11.223 1.360 1.00 0.00 N ATOM 179 CA GLU p 12 -0.711 11.244 0.231 1.00 0.00 C ATOM 180 C GLU p 12 0.555 10.690 0.785 1.00 0.00 C ATOM 181 O GLU p 12 1.355 10.090 0.095 1.00 0.00 O ATOM 182 CB GLU p 12 -0.420 12.638 -0.311 1.00 0.00 C ATOM 183 CG GLU p 12 -1.623 13.283 -0.922 1.00 0.00 C ATOM 184 CD GLU p 12 -1.402 13.738 -2.351 1.00 0.00 C ATOM 185 OE1 GLU p 12 -0.956 14.888 -2.545 1.00 0.00 O ATOM 186 OE2 GLU p 12 -1.675 12.945 -3.276 1.00 0.00 O ATOM 0 H GLU p 12 -1.727 12.114 1.852 1.00 0.00 H new ATOM 0 HA GLU p 12 -1.136 10.683 -0.601 1.00 0.00 H new ATOM 0 HB2 GLU p 12 -0.047 13.267 0.497 1.00 0.00 H new ATOM 0 HB3 GLU p 12 0.372 12.575 -1.057 1.00 0.00 H new ATOM 0 HG2 GLU p 12 -2.455 12.579 -0.897 1.00 0.00 H new ATOM 0 HG3 GLU p 12 -1.913 14.141 -0.316 1.00 0.00 H new ATOM 193 N TRP p 13 0.672 10.953 2.079 1.00 0.00 N ATOM 194 CA TRP p 13 1.775 10.479 2.924 1.00 0.00 C ATOM 195 C TRP p 13 1.498 9.035 3.329 1.00 0.00 C ATOM 196 O TRP p 13 2.406 8.323 3.734 1.00 0.00 O ATOM 197 CB TRP p 13 1.960 11.358 4.164 1.00 0.00 C ATOM 198 CG TRP p 13 3.370 11.376 4.686 1.00 0.00 C ATOM 199 CD1 TRP p 13 4.352 12.262 4.346 1.00 0.00 C ATOM 200 CD2 TRP p 13 3.957 10.471 5.636 1.00 0.00 C ATOM 201 NE1 TRP p 13 5.511 11.967 5.023 1.00 0.00 N ATOM 202 CE2 TRP p 13 5.294 10.873 5.820 1.00 0.00 C ATOM 203 CE3 TRP p 13 3.485 9.360 6.349 1.00 0.00 C ATOM 204 CZ2 TRP p 13 6.161 10.208 6.684 1.00 0.00 C ATOM 205 CZ3 TRP p 13 4.348 8.703 7.205 1.00 0.00 C ATOM 206 CH2 TRP p 13 5.672 9.127 7.366 1.00 0.00 C ATOM 0 H TRP p 13 -0.010 11.515 2.589 1.00 0.00 H new ATOM 0 HA TRP p 13 2.702 10.536 2.353 1.00 0.00 H new ATOM 0 HB2 TRP p 13 1.657 12.377 3.925 1.00 0.00 H new ATOM 0 HB3 TRP p 13 1.295 11.005 4.952 1.00 0.00 H new ATOM 0 HD1 TRP p 13 4.235 13.076 3.646 1.00 0.00 H new ATOM 0 HE1 TRP p 13 6.390 12.479 4.945 1.00 0.00 H new ATOM 0 HE3 TRP p 13 2.465 9.024 6.231 1.00 0.00 H new ATOM 0 HZ2 TRP p 13 7.183 10.534 6.811 1.00 0.00 H new ATOM 0 HZ3 TRP p 13 3.994 7.847 7.760 1.00 0.00 H new ATOM 0 HH2 TRP p 13 6.321 8.590 8.042 1.00 0.00 H new ATOM 217 N GLU p 14 0.206 8.659 3.253 1.00 0.00 N ATOM 218 CA GLU p 14 -0.254 7.274 3.497 1.00 0.00 C ATOM 219 C GLU p 14 -0.228 6.597 2.165 1.00 0.00 C ATOM 220 O GLU p 14 -0.293 5.378 2.047 1.00 0.00 O ATOM 221 CB GLU p 14 -1.663 7.185 4.070 1.00 0.00 C ATOM 222 CG GLU p 14 -1.827 8.007 5.312 1.00 0.00 C ATOM 223 CD GLU p 14 -2.582 7.289 6.414 1.00 0.00 C ATOM 224 OE1 GLU p 14 -1.931 6.610 7.235 1.00 0.00 O ATOM 225 OE2 GLU p 14 -3.825 7.408 6.458 1.00 0.00 O ATOM 0 H GLU p 14 -0.549 9.305 3.021 1.00 0.00 H new ATOM 0 HA GLU p 14 0.397 6.811 4.239 1.00 0.00 H new ATOM 0 HB2 GLU p 14 -2.379 7.519 3.319 1.00 0.00 H new ATOM 0 HB3 GLU p 14 -1.897 6.144 4.293 1.00 0.00 H new ATOM 0 HG2 GLU p 14 -0.842 8.292 5.683 1.00 0.00 H new ATOM 0 HG3 GLU p 14 -2.353 8.928 5.062 1.00 0.00 H new ATOM 232 N LEU p 15 -0.196 7.482 1.175 1.00 0.00 N ATOM 233 CA LEU p 15 -0.068 7.138 -0.235 1.00 0.00 C ATOM 234 C LEU p 15 1.423 6.962 -0.507 1.00 0.00 C ATOM 235 O LEU p 15 1.829 6.127 -1.293 1.00 0.00 O ATOM 236 CB LEU p 15 -0.673 8.241 -1.134 1.00 0.00 C ATOM 237 CG LEU p 15 -0.647 8.045 -2.668 1.00 0.00 C ATOM 238 CD1 LEU p 15 0.608 8.666 -3.257 1.00 0.00 C ATOM 239 CD2 LEU p 15 -0.735 6.577 -3.039 1.00 0.00 C ATOM 0 H LEU p 15 -0.260 8.487 1.337 1.00 0.00 H new ATOM 0 HA LEU p 15 -0.614 6.223 -0.463 1.00 0.00 H new ATOM 0 HB2 LEU p 15 -1.712 8.378 -0.836 1.00 0.00 H new ATOM 0 HB3 LEU p 15 -0.152 9.172 -0.911 1.00 0.00 H new ATOM 0 HG LEU p 15 -1.520 8.547 -3.086 1.00 0.00 H new ATOM 0 HD11 LEU p 15 0.613 8.521 -4.337 1.00 0.00 H new ATOM 0 HD12 LEU p 15 0.625 9.733 -3.034 1.00 0.00 H new ATOM 0 HD13 LEU p 15 1.487 8.191 -2.823 1.00 0.00 H new ATOM 0 HD21 LEU p 15 -0.714 6.474 -4.124 1.00 0.00 H new ATOM 0 HD22 LEU p 15 0.111 6.041 -2.607 1.00 0.00 H new ATOM 0 HD23 LEU p 15 -1.665 6.159 -2.653 1.00 0.00 H new ATOM 251 N GLN p 16 2.194 7.782 0.213 1.00 0.00 N ATOM 252 CA GLN p 16 3.672 7.786 0.196 1.00 0.00 C ATOM 253 C GLN p 16 4.116 6.706 1.122 1.00 0.00 C ATOM 254 O GLN p 16 5.200 6.162 0.998 1.00 0.00 O ATOM 255 CB GLN p 16 4.252 9.107 0.691 1.00 0.00 C ATOM 256 CG GLN p 16 3.820 10.280 -0.134 1.00 0.00 C ATOM 257 CD GLN p 16 4.978 11.100 -0.668 1.00 0.00 C ATOM 258 OE1 GLN p 16 5.487 10.841 -1.759 1.00 0.00 O ATOM 259 NE2 GLN p 16 5.401 12.098 0.100 1.00 0.00 N ATOM 0 H GLN p 16 1.803 8.483 0.843 1.00 0.00 H new ATOM 0 HA GLN p 16 4.016 7.638 -0.828 1.00 0.00 H new ATOM 0 HB2 GLN p 16 3.949 9.266 1.726 1.00 0.00 H new ATOM 0 HB3 GLN p 16 5.340 9.045 0.684 1.00 0.00 H new ATOM 0 HG2 GLN p 16 3.220 9.924 -0.971 1.00 0.00 H new ATOM 0 HG3 GLN p 16 3.178 10.922 0.469 1.00 0.00 H new ATOM 0 HE21 GLN p 16 4.950 12.277 0.997 1.00 0.00 H new ATOM 0 HE22 GLN p 16 6.177 12.685 -0.208 1.00 0.00 H new ATOM 268 N ALA p 17 3.233 6.483 2.090 1.00 0.00 N ATOM 269 CA ALA p 17 3.370 5.413 3.086 1.00 0.00 C ATOM 270 C ALA p 17 2.824 4.146 2.466 1.00 0.00 C ATOM 271 O ALA p 17 3.082 3.044 2.936 1.00 0.00 O ATOM 272 CB ALA p 17 2.661 5.710 4.398 1.00 0.00 C ATOM 0 H ALA p 17 2.390 7.044 2.211 1.00 0.00 H new ATOM 0 HA ALA p 17 4.424 5.314 3.344 1.00 0.00 H new ATOM 0 HB1 ALA p 17 2.805 4.877 5.086 1.00 0.00 H new ATOM 0 HB2 ALA p 17 3.074 6.618 4.837 1.00 0.00 H new ATOM 0 HB3 ALA p 17 1.596 5.848 4.213 1.00 0.00 H new ATOM 278 N LEU p 18 2.036 4.362 1.395 1.00 0.00 N ATOM 279 CA LEU p 18 1.465 3.302 0.582 1.00 0.00 C ATOM 280 C LEU p 18 2.498 2.909 -0.438 1.00 0.00 C ATOM 281 O LEU p 18 2.591 1.763 -0.829 1.00 0.00 O ATOM 282 CB LEU p 18 0.221 3.796 -0.143 1.00 0.00 C ATOM 283 CG LEU p 18 -0.531 2.765 -0.962 1.00 0.00 C ATOM 284 CD1 LEU p 18 -1.145 1.736 -0.050 1.00 0.00 C ATOM 285 CD2 LEU p 18 -1.568 3.466 -1.798 1.00 0.00 C ATOM 0 H LEU p 18 1.782 5.297 1.076 1.00 0.00 H new ATOM 0 HA LEU p 18 1.186 2.459 1.214 1.00 0.00 H new ATOM 0 HB2 LEU p 18 -0.464 4.212 0.596 1.00 0.00 H new ATOM 0 HB3 LEU p 18 0.511 4.613 -0.804 1.00 0.00 H new ATOM 0 HG LEU p 18 0.151 2.241 -1.632 1.00 0.00 H new ATOM 0 HD11 LEU p 18 -1.684 0.998 -0.644 1.00 0.00 H new ATOM 0 HD12 LEU p 18 -0.359 1.239 0.519 1.00 0.00 H new ATOM 0 HD13 LEU p 18 -1.837 2.224 0.636 1.00 0.00 H new ATOM 0 HD21 LEU p 18 -2.114 2.732 -2.391 1.00 0.00 H new ATOM 0 HD22 LEU p 18 -2.263 3.996 -1.147 1.00 0.00 H new ATOM 0 HD23 LEU p 18 -1.079 4.178 -2.463 1.00 0.00 H new ATOM 297 N GLU p 19 3.183 3.949 -0.898 1.00 0.00 N ATOM 298 CA GLU p 19 4.325 3.847 -1.844 1.00 0.00 C ATOM 299 C GLU p 19 5.535 3.445 -1.047 1.00 0.00 C ATOM 300 O GLU p 19 6.497 2.912 -1.550 1.00 0.00 O ATOM 301 CB GLU p 19 4.639 5.159 -2.561 1.00 0.00 C ATOM 302 CG GLU p 19 3.435 5.799 -3.194 1.00 0.00 C ATOM 303 CD GLU p 19 3.629 6.117 -4.664 1.00 0.00 C ATOM 304 OE1 GLU p 19 3.323 5.246 -5.505 1.00 0.00 O ATOM 305 OE2 GLU p 19 4.086 7.237 -4.973 1.00 0.00 O ATOM 0 H GLU p 19 2.970 4.910 -0.629 1.00 0.00 H new ATOM 0 HA GLU p 19 4.059 3.120 -2.612 1.00 0.00 H new ATOM 0 HB2 GLU p 19 5.079 5.857 -1.849 1.00 0.00 H new ATOM 0 HB3 GLU p 19 5.389 4.973 -3.330 1.00 0.00 H new ATOM 0 HG2 GLU p 19 2.578 5.134 -3.083 1.00 0.00 H new ATOM 0 HG3 GLU p 19 3.197 6.718 -2.659 1.00 0.00 H new ATOM 312 N LYS p 20 5.470 3.808 0.210 1.00 0.00 N ATOM 313 CA LYS p 20 6.489 3.435 1.197 1.00 0.00 C ATOM 314 C LYS p 20 6.174 2.020 1.674 1.00 0.00 C ATOM 315 O LYS p 20 6.955 1.362 2.353 1.00 0.00 O ATOM 316 CB LYS p 20 6.501 4.393 2.377 1.00 0.00 C ATOM 317 CG LYS p 20 7.830 5.091 2.612 1.00 0.00 C ATOM 318 CD LYS p 20 8.392 4.780 3.991 1.00 0.00 C ATOM 319 CE LYS p 20 9.683 5.539 4.252 1.00 0.00 C ATOM 320 NZ LYS p 20 10.239 5.240 5.600 1.00 0.00 N ATOM 0 H LYS p 20 4.712 4.373 0.593 1.00 0.00 H new ATOM 0 HA LYS p 20 7.476 3.482 0.737 1.00 0.00 H new ATOM 0 HB2 LYS p 20 5.731 5.149 2.222 1.00 0.00 H new ATOM 0 HB3 LYS p 20 6.231 3.842 3.278 1.00 0.00 H new ATOM 0 HG2 LYS p 20 8.544 4.780 1.849 1.00 0.00 H new ATOM 0 HG3 LYS p 20 7.699 6.168 2.507 1.00 0.00 H new ATOM 0 HD2 LYS p 20 7.656 5.040 4.752 1.00 0.00 H new ATOM 0 HD3 LYS p 20 8.575 3.709 4.077 1.00 0.00 H new ATOM 0 HE2 LYS p 20 10.418 5.279 3.490 1.00 0.00 H new ATOM 0 HE3 LYS p 20 9.499 6.610 4.164 1.00 0.00 H new ATOM 0 HZ1 LYS p 20 11.119 5.777 5.739 1.00 0.00 H new ATOM 0 HZ2 LYS p 20 9.548 5.512 6.329 1.00 0.00 H new ATOM 0 HZ3 LYS p 20 10.439 4.222 5.675 1.00 0.00 H new ATOM 334 N GLU p 21 4.949 1.628 1.363 1.00 0.00 N ATOM 335 CA GLU p 21 4.437 0.299 1.626 1.00 0.00 C ATOM 336 C GLU p 21 4.547 -0.499 0.336 1.00 0.00 C ATOM 337 O GLU p 21 4.668 -1.721 0.342 1.00 0.00 O ATOM 338 CB GLU p 21 2.986 0.396 2.114 1.00 0.00 C ATOM 339 CG GLU p 21 2.085 -0.767 1.734 1.00 0.00 C ATOM 340 CD GLU p 21 1.568 -1.530 2.937 1.00 0.00 C ATOM 341 OE1 GLU p 21 0.511 -1.141 3.477 1.00 0.00 O ATOM 342 OE2 GLU p 21 2.219 -2.516 3.339 1.00 0.00 O ATOM 0 H GLU p 21 4.270 2.241 0.911 1.00 0.00 H new ATOM 0 HA GLU p 21 5.008 -0.202 2.408 1.00 0.00 H new ATOM 0 HB2 GLU p 21 2.992 0.487 3.200 1.00 0.00 H new ATOM 0 HB3 GLU p 21 2.550 1.314 1.720 1.00 0.00 H new ATOM 0 HG2 GLU p 21 1.240 -0.392 1.157 1.00 0.00 H new ATOM 0 HG3 GLU p 21 2.635 -1.450 1.086 1.00 0.00 H new ATOM 349 N LEU p 22 4.439 0.242 -0.761 1.00 0.00 N ATOM 350 CA LEU p 22 4.513 -0.301 -2.099 1.00 0.00 C ATOM 351 C LEU p 22 5.923 -0.293 -2.652 1.00 0.00 C ATOM 352 O LEU p 22 6.367 -1.285 -3.220 1.00 0.00 O ATOM 353 CB LEU p 22 3.642 0.541 -3.021 1.00 0.00 C ATOM 354 CG LEU p 22 2.810 -0.185 -4.069 1.00 0.00 C ATOM 355 CD1 LEU p 22 2.068 0.860 -4.863 1.00 0.00 C ATOM 356 CD2 LEU p 22 3.684 -1.029 -4.980 1.00 0.00 C ATOM 0 H LEU p 22 4.295 1.252 -0.738 1.00 0.00 H new ATOM 0 HA LEU p 22 4.172 -1.335 -2.049 1.00 0.00 H new ATOM 0 HB2 LEU p 22 2.963 1.125 -2.400 1.00 0.00 H new ATOM 0 HB3 LEU p 22 4.289 1.249 -3.539 1.00 0.00 H new ATOM 0 HG LEU p 22 2.111 -0.866 -3.583 1.00 0.00 H new ATOM 0 HD11 LEU p 22 1.460 0.374 -5.626 1.00 0.00 H new ATOM 0 HD12 LEU p 22 1.424 1.434 -4.197 1.00 0.00 H new ATOM 0 HD13 LEU p 22 2.783 1.529 -5.342 1.00 0.00 H new ATOM 0 HD21 LEU p 22 3.060 -1.534 -5.717 1.00 0.00 H new ATOM 0 HD22 LEU p 22 4.402 -0.388 -5.491 1.00 0.00 H new ATOM 0 HD23 LEU p 22 4.218 -1.771 -4.387 1.00 0.00 H new ATOM 368 N ALA p 23 6.600 0.839 -2.492 1.00 0.00 N ATOM 369 CA ALA p 23 7.962 1.008 -3.049 1.00 0.00 C ATOM 370 C ALA p 23 9.099 0.636 -2.093 1.00 0.00 C ATOM 371 O ALA p 23 10.243 0.511 -2.534 1.00 0.00 O ATOM 372 CB ALA p 23 8.164 2.420 -3.589 1.00 0.00 C ATOM 0 H ALA p 23 6.244 1.652 -1.989 1.00 0.00 H new ATOM 0 HA ALA p 23 8.018 0.289 -3.866 1.00 0.00 H new ATOM 0 HB1 ALA p 23 9.173 2.515 -3.991 1.00 0.00 H new ATOM 0 HB2 ALA p 23 7.438 2.615 -4.379 1.00 0.00 H new ATOM 0 HB3 ALA p 23 8.026 3.141 -2.783 1.00 0.00 H new ATOM 378 N GLN p 24 8.803 0.451 -0.804 1.00 0.00 N ATOM 379 CA GLN p 24 9.829 0.087 0.177 1.00 0.00 C ATOM 380 C GLN p 24 9.868 -1.402 0.337 1.00 0.00 C ATOM 381 O GLN p 24 10.913 -1.997 0.441 1.00 0.00 O ATOM 382 CB GLN p 24 9.514 0.683 1.516 1.00 0.00 C ATOM 383 CG GLN p 24 9.597 2.174 1.540 1.00 0.00 C ATOM 384 CD GLN p 24 10.886 2.694 2.143 1.00 0.00 C ATOM 385 OE1 GLN p 24 10.979 2.907 3.352 1.00 0.00 O ATOM 386 NE2 GLN p 24 11.891 2.903 1.300 1.00 0.00 N ATOM 0 H GLN p 24 7.865 0.547 -0.416 1.00 0.00 H new ATOM 0 HA GLN p 24 10.787 0.464 -0.181 1.00 0.00 H new ATOM 0 HB2 GLN p 24 8.511 0.378 1.813 1.00 0.00 H new ATOM 0 HB3 GLN p 24 10.203 0.277 2.257 1.00 0.00 H new ATOM 0 HG2 GLN p 24 9.502 2.552 0.522 1.00 0.00 H new ATOM 0 HG3 GLN p 24 8.754 2.569 2.107 1.00 0.00 H new ATOM 0 HE21 GLN p 24 11.770 2.713 0.305 1.00 0.00 H new ATOM 0 HE22 GLN p 24 12.784 3.254 1.647 1.00 0.00 H new ATOM 395 N LEU p 25 8.667 -1.935 0.393 1.00 0.00 N ATOM 396 CA LEU p 25 8.354 -3.363 0.507 1.00 0.00 C ATOM 397 C LEU p 25 8.786 -4.092 -0.753 1.00 0.00 C ATOM 398 O LEU p 25 9.042 -5.288 -0.753 1.00 0.00 O ATOM 399 CB LEU p 25 6.850 -3.484 0.667 1.00 0.00 C ATOM 400 CG LEU p 25 6.272 -4.729 1.368 1.00 0.00 C ATOM 401 CD1 LEU p 25 5.231 -5.335 0.458 1.00 0.00 C ATOM 402 CD2 LEU p 25 7.333 -5.769 1.727 1.00 0.00 C ATOM 0 H LEU p 25 7.826 -1.359 0.359 1.00 0.00 H new ATOM 0 HA LEU p 25 8.877 -3.802 1.357 1.00 0.00 H new ATOM 0 HB2 LEU p 25 6.506 -2.607 1.216 1.00 0.00 H new ATOM 0 HB3 LEU p 25 6.408 -3.431 -0.328 1.00 0.00 H new ATOM 0 HG LEU p 25 5.835 -4.413 2.315 1.00 0.00 H new ATOM 0 HD11 LEU p 25 4.805 -6.220 0.931 1.00 0.00 H new ATOM 0 HD12 LEU p 25 4.441 -4.607 0.273 1.00 0.00 H new ATOM 0 HD13 LEU p 25 5.694 -5.617 -0.488 1.00 0.00 H new ATOM 0 HD21 LEU p 25 6.858 -6.619 2.217 1.00 0.00 H new ATOM 0 HD22 LEU p 25 7.833 -6.107 0.819 1.00 0.00 H new ATOM 0 HD23 LEU p 25 8.065 -5.324 2.401 1.00 0.00 H new ATOM 414 N GLU p 26 8.795 -3.301 -1.809 1.00 0.00 N ATOM 415 CA GLU p 26 9.207 -3.640 -3.136 1.00 0.00 C ATOM 416 C GLU p 26 10.716 -3.580 -3.158 1.00 0.00 C ATOM 417 O GLU p 26 11.382 -4.277 -3.910 1.00 0.00 O ATOM 418 CB GLU p 26 8.635 -2.572 -4.033 1.00 0.00 C ATOM 419 CG GLU p 26 8.915 -2.775 -5.482 1.00 0.00 C ATOM 420 CD GLU p 26 7.667 -2.999 -6.312 1.00 0.00 C ATOM 421 OE1 GLU p 26 7.093 -2.004 -6.803 1.00 0.00 O ATOM 422 OE2 GLU p 26 7.263 -4.171 -6.475 1.00 0.00 O ATOM 0 H GLU p 26 8.488 -2.330 -1.744 1.00 0.00 H new ATOM 0 HA GLU p 26 8.875 -4.628 -3.455 1.00 0.00 H new ATOM 0 HB2 GLU p 26 7.556 -2.530 -3.886 1.00 0.00 H new ATOM 0 HB3 GLU p 26 9.036 -1.605 -3.729 1.00 0.00 H new ATOM 0 HG2 GLU p 26 9.447 -1.905 -5.867 1.00 0.00 H new ATOM 0 HG3 GLU p 26 9.579 -3.632 -5.599 1.00 0.00 H new ATOM 429 N LYS p 27 11.181 -2.637 -2.353 1.00 0.00 N ATOM 430 CA LYS p 27 12.602 -2.396 -2.101 1.00 0.00 C ATOM 431 C LYS p 27 13.102 -3.416 -1.093 1.00 0.00 C ATOM 432 O LYS p 27 14.265 -3.823 -1.132 1.00 0.00 O ATOM 433 CB LYS p 27 12.855 -0.975 -1.606 1.00 0.00 C ATOM 434 CG LYS p 27 13.169 0.009 -2.719 1.00 0.00 C ATOM 435 CD LYS p 27 13.675 1.332 -2.168 1.00 0.00 C ATOM 436 CE LYS p 27 13.992 2.315 -3.283 1.00 0.00 C ATOM 437 NZ LYS p 27 14.489 3.614 -2.755 1.00 0.00 N ATOM 0 H LYS p 27 10.570 -2.000 -1.842 1.00 0.00 H new ATOM 0 HA LYS p 27 13.149 -2.505 -3.038 1.00 0.00 H new ATOM 0 HB2 LYS p 27 11.977 -0.627 -1.062 1.00 0.00 H new ATOM 0 HB3 LYS p 27 13.684 -0.988 -0.899 1.00 0.00 H new ATOM 0 HG2 LYS p 27 13.919 -0.420 -3.384 1.00 0.00 H new ATOM 0 HG3 LYS p 27 12.274 0.181 -3.317 1.00 0.00 H new ATOM 0 HD2 LYS p 27 12.924 1.762 -1.505 1.00 0.00 H new ATOM 0 HD3 LYS p 27 14.569 1.160 -1.568 1.00 0.00 H new ATOM 0 HE2 LYS p 27 14.741 1.882 -3.946 1.00 0.00 H new ATOM 0 HE3 LYS p 27 13.097 2.485 -3.882 1.00 0.00 H new ATOM 0 HZ1 LYS p 27 14.693 4.256 -3.548 1.00 0.00 H new ATOM 0 HZ2 LYS p 27 13.764 4.040 -2.143 1.00 0.00 H new ATOM 0 HZ3 LYS p 27 15.357 3.456 -2.205 1.00 0.00 H new ATOM 451 N GLU p 28 12.198 -3.813 -0.179 1.00 0.00 N ATOM 452 CA GLU p 28 12.500 -4.875 0.801 1.00 0.00 C ATOM 453 C GLU p 28 12.407 -6.169 0.043 1.00 0.00 C ATOM 454 O GLU p 28 13.092 -7.152 0.330 1.00 0.00 O ATOM 455 CB GLU p 28 11.525 -4.905 1.980 1.00 0.00 C ATOM 456 CG GLU p 28 11.375 -3.571 2.670 1.00 0.00 C ATOM 457 CD GLU p 28 11.729 -3.619 4.143 1.00 0.00 C ATOM 458 OE1 GLU p 28 10.826 -3.882 4.964 1.00 0.00 O ATOM 459 OE2 GLU p 28 12.912 -3.394 4.477 1.00 0.00 O ATOM 0 H GLU p 28 11.261 -3.419 -0.098 1.00 0.00 H new ATOM 0 HA GLU p 28 13.485 -4.699 1.234 1.00 0.00 H new ATOM 0 HB2 GLU p 28 10.548 -5.234 1.625 1.00 0.00 H new ATOM 0 HB3 GLU p 28 11.866 -5.644 2.705 1.00 0.00 H new ATOM 0 HG2 GLU p 28 12.011 -2.839 2.173 1.00 0.00 H new ATOM 0 HG3 GLU p 28 10.347 -3.226 2.561 1.00 0.00 H new ATOM 466 N LEU p 29 11.517 -6.111 -0.949 1.00 0.00 N ATOM 467 CA LEU p 29 11.298 -7.198 -1.887 1.00 0.00 C ATOM 468 C LEU p 29 12.500 -7.290 -2.818 1.00 0.00 C ATOM 469 O LEU p 29 13.037 -8.373 -3.067 1.00 0.00 O ATOM 470 CB LEU p 29 10.039 -6.910 -2.705 1.00 0.00 C ATOM 471 CG LEU p 29 9.251 -8.097 -3.250 1.00 0.00 C ATOM 472 CD1 LEU p 29 8.030 -7.562 -3.960 1.00 0.00 C ATOM 473 CD2 LEU p 29 10.092 -8.929 -4.202 1.00 0.00 C ATOM 0 H LEU p 29 10.926 -5.298 -1.120 1.00 0.00 H new ATOM 0 HA LEU p 29 11.173 -8.138 -1.350 1.00 0.00 H new ATOM 0 HB2 LEU p 29 9.366 -6.319 -2.084 1.00 0.00 H new ATOM 0 HB3 LEU p 29 10.326 -6.284 -3.550 1.00 0.00 H new ATOM 0 HG LEU p 29 8.959 -8.748 -2.426 1.00 0.00 H new ATOM 0 HD11 LEU p 29 7.448 -8.393 -4.360 1.00 0.00 H new ATOM 0 HD12 LEU p 29 7.419 -6.996 -3.257 1.00 0.00 H new ATOM 0 HD13 LEU p 29 8.340 -6.910 -4.777 1.00 0.00 H new ATOM 0 HD21 LEU p 29 9.501 -9.767 -4.572 1.00 0.00 H new ATOM 0 HD22 LEU p 29 10.411 -8.311 -5.041 1.00 0.00 H new ATOM 0 HD23 LEU p 29 10.969 -9.308 -3.677 1.00 0.00 H new ATOM 791 N GLN p 51 3.663 -15.823 -1.047 1.00 0.00 N ATOM 792 CA GLN p 51 2.598 -15.689 -2.050 1.00 0.00 C ATOM 793 C GLN p 51 1.431 -14.862 -1.493 1.00 0.00 C ATOM 794 O GLN p 51 0.523 -14.483 -2.229 1.00 0.00 O ATOM 795 CB GLN p 51 2.097 -17.072 -2.492 1.00 0.00 C ATOM 796 CG GLN p 51 3.075 -17.839 -3.378 1.00 0.00 C ATOM 797 CD GLN p 51 3.052 -17.376 -4.826 1.00 0.00 C ATOM 798 OE1 GLN p 51 2.292 -17.893 -5.644 1.00 0.00 O ATOM 799 NE2 GLN p 51 3.891 -16.397 -5.147 1.00 0.00 N ATOM 0 HA GLN p 51 3.011 -15.172 -2.916 1.00 0.00 H new ATOM 0 HB2 GLN p 51 1.883 -17.669 -1.605 1.00 0.00 H new ATOM 0 HB3 GLN p 51 1.156 -16.950 -3.029 1.00 0.00 H new ATOM 0 HG2 GLN p 51 4.084 -17.724 -2.981 1.00 0.00 H new ATOM 0 HG3 GLN p 51 2.836 -18.902 -3.338 1.00 0.00 H new ATOM 0 HE21 GLN p 51 4.504 -15.997 -4.436 1.00 0.00 H new ATOM 0 HE22 GLN p 51 3.922 -16.045 -6.104 1.00 0.00 H new ATOM 808 N ALA p 52 1.486 -14.598 -0.182 1.00 0.00 N ATOM 809 CA ALA p 52 0.472 -13.817 0.537 1.00 0.00 C ATOM 810 C ALA p 52 0.775 -12.309 0.491 1.00 0.00 C ATOM 811 O ALA p 52 -0.021 -11.496 0.948 1.00 0.00 O ATOM 812 CB ALA p 52 0.391 -14.302 1.978 1.00 0.00 C ATOM 0 H ALA p 52 2.245 -14.924 0.416 1.00 0.00 H new ATOM 0 HA ALA p 52 -0.489 -13.966 0.045 1.00 0.00 H new ATOM 0 HB1 ALA p 52 -0.361 -13.724 2.515 1.00 0.00 H new ATOM 0 HB2 ALA p 52 0.116 -15.357 1.992 1.00 0.00 H new ATOM 0 HB3 ALA p 52 1.360 -14.173 2.460 1.00 0.00 H new ATOM 818 N LEU p 53 1.939 -11.972 -0.067 1.00 0.00 N ATOM 819 CA LEU p 53 2.443 -10.616 -0.183 1.00 0.00 C ATOM 820 C LEU p 53 2.045 -10.042 -1.532 1.00 0.00 C ATOM 821 O LEU p 53 1.350 -9.033 -1.611 1.00 0.00 O ATOM 822 CB LEU p 53 3.967 -10.681 -0.030 1.00 0.00 C ATOM 823 CG LEU p 53 4.710 -9.376 0.228 1.00 0.00 C ATOM 824 CD1 LEU p 53 6.014 -9.706 0.908 1.00 0.00 C ATOM 825 CD2 LEU p 53 4.970 -8.631 -1.074 1.00 0.00 C ATOM 0 H LEU p 53 2.574 -12.665 -0.462 1.00 0.00 H new ATOM 0 HA LEU p 53 2.025 -9.966 0.586 1.00 0.00 H new ATOM 0 HB2 LEU p 53 4.193 -11.363 0.790 1.00 0.00 H new ATOM 0 HB3 LEU p 53 4.376 -11.126 -0.937 1.00 0.00 H new ATOM 0 HG LEU p 53 4.104 -8.728 0.862 1.00 0.00 H new ATOM 0 HD11 LEU p 53 6.565 -8.786 1.104 1.00 0.00 H new ATOM 0 HD12 LEU p 53 5.814 -10.217 1.850 1.00 0.00 H new ATOM 0 HD13 LEU p 53 6.607 -10.354 0.263 1.00 0.00 H new ATOM 0 HD21 LEU p 53 5.501 -7.703 -0.862 1.00 0.00 H new ATOM 0 HD22 LEU p 53 5.574 -9.253 -1.735 1.00 0.00 H new ATOM 0 HD23 LEU p 53 4.021 -8.403 -1.559 1.00 0.00 H new ATOM 837 N LYS p 54 2.512 -10.719 -2.586 1.00 0.00 N ATOM 838 CA LYS p 54 2.213 -10.357 -3.988 1.00 0.00 C ATOM 839 C LYS p 54 0.708 -10.463 -4.276 1.00 0.00 C ATOM 840 O LYS p 54 0.222 -9.981 -5.299 1.00 0.00 O ATOM 841 CB LYS p 54 2.992 -11.257 -4.953 1.00 0.00 C ATOM 842 CG LYS p 54 4.481 -10.948 -5.017 1.00 0.00 C ATOM 843 CD LYS p 54 5.197 -11.860 -5.999 1.00 0.00 C ATOM 844 CE LYS p 54 6.682 -11.546 -6.069 1.00 0.00 C ATOM 845 NZ LYS p 54 7.393 -12.429 -7.035 1.00 0.00 N ATOM 0 H LYS p 54 3.112 -11.539 -2.497 1.00 0.00 H new ATOM 0 HA LYS p 54 2.522 -9.323 -4.138 1.00 0.00 H new ATOM 0 HB2 LYS p 54 2.859 -12.296 -4.653 1.00 0.00 H new ATOM 0 HB3 LYS p 54 2.567 -11.157 -5.952 1.00 0.00 H new ATOM 0 HG2 LYS p 54 4.626 -9.909 -5.312 1.00 0.00 H new ATOM 0 HG3 LYS p 54 4.920 -11.062 -4.026 1.00 0.00 H new ATOM 0 HD2 LYS p 54 5.057 -12.899 -5.701 1.00 0.00 H new ATOM 0 HD3 LYS p 54 4.754 -11.750 -6.989 1.00 0.00 H new ATOM 0 HE2 LYS p 54 6.819 -10.505 -6.361 1.00 0.00 H new ATOM 0 HE3 LYS p 54 7.124 -11.661 -5.079 1.00 0.00 H new ATOM 0 HZ1 LYS p 54 8.403 -12.182 -7.053 1.00 0.00 H new ATOM 0 HZ2 LYS p 54 7.284 -13.421 -6.743 1.00 0.00 H new ATOM 0 HZ3 LYS p 54 6.989 -12.301 -7.985 1.00 0.00 H new ATOM 859 N LYS p 55 0.005 -11.112 -3.342 1.00 0.00 N ATOM 860 CA LYS p 55 -1.425 -11.305 -3.371 1.00 0.00 C ATOM 861 C LYS p 55 -2.076 -10.210 -2.557 1.00 0.00 C ATOM 862 O LYS p 55 -3.141 -9.718 -2.914 1.00 0.00 O ATOM 863 CB LYS p 55 -1.789 -12.677 -2.817 1.00 0.00 C ATOM 864 CG LYS p 55 -1.882 -13.755 -3.881 1.00 0.00 C ATOM 865 CD LYS p 55 -2.620 -14.982 -3.372 1.00 0.00 C ATOM 866 CE LYS p 55 -2.724 -16.055 -4.443 1.00 0.00 C ATOM 867 NZ LYS p 55 -3.451 -17.259 -3.955 1.00 0.00 N ATOM 0 H LYS p 55 0.444 -11.528 -2.521 1.00 0.00 H new ATOM 0 HA LYS p 55 -1.783 -11.258 -4.399 1.00 0.00 H new ATOM 0 HB2 LYS p 55 -1.044 -12.971 -2.078 1.00 0.00 H new ATOM 0 HB3 LYS p 55 -2.744 -12.608 -2.297 1.00 0.00 H new ATOM 0 HG2 LYS p 55 -2.395 -13.359 -4.757 1.00 0.00 H new ATOM 0 HG3 LYS p 55 -0.879 -14.039 -4.200 1.00 0.00 H new ATOM 0 HD2 LYS p 55 -2.102 -15.384 -2.502 1.00 0.00 H new ATOM 0 HD3 LYS p 55 -3.619 -14.696 -3.044 1.00 0.00 H new ATOM 0 HE2 LYS p 55 -3.238 -15.649 -5.314 1.00 0.00 H new ATOM 0 HE3 LYS p 55 -1.724 -16.342 -4.768 1.00 0.00 H new ATOM 0 HZ1 LYS p 55 -3.500 -17.967 -4.715 1.00 0.00 H new ATOM 0 HZ2 LYS p 55 -2.947 -17.662 -3.139 1.00 0.00 H new ATOM 0 HZ3 LYS p 55 -4.414 -16.991 -3.669 1.00 0.00 H new ATOM 881 N LYS p 56 -1.408 -9.845 -1.445 1.00 0.00 N ATOM 882 CA LYS p 56 -1.869 -8.730 -0.583 1.00 0.00 C ATOM 883 C LYS p 56 -1.545 -7.394 -1.266 1.00 0.00 C ATOM 884 O LYS p 56 -2.015 -6.327 -0.871 1.00 0.00 O ATOM 885 CB LYS p 56 -1.211 -8.779 0.792 1.00 0.00 C ATOM 886 CG LYS p 56 -2.017 -9.551 1.824 1.00 0.00 C ATOM 887 CD LYS p 56 -1.458 -9.362 3.225 1.00 0.00 C ATOM 888 CE LYS p 56 -2.263 -10.139 4.254 1.00 0.00 C ATOM 889 NZ LYS p 56 -1.721 -9.965 5.630 1.00 0.00 N ATOM 0 H LYS p 56 -0.554 -10.299 -1.121 1.00 0.00 H new ATOM 0 HA LYS p 56 -2.945 -8.827 -0.442 1.00 0.00 H new ATOM 0 HB2 LYS p 56 -0.225 -9.234 0.698 1.00 0.00 H new ATOM 0 HB3 LYS p 56 -1.059 -7.761 1.149 1.00 0.00 H new ATOM 0 HG2 LYS p 56 -3.055 -9.220 1.798 1.00 0.00 H new ATOM 0 HG3 LYS p 56 -2.014 -10.611 1.570 1.00 0.00 H new ATOM 0 HD2 LYS p 56 -0.419 -9.690 3.251 1.00 0.00 H new ATOM 0 HD3 LYS p 56 -1.464 -8.302 3.481 1.00 0.00 H new ATOM 0 HE2 LYS p 56 -3.301 -9.808 4.228 1.00 0.00 H new ATOM 0 HE3 LYS p 56 -2.260 -11.197 3.994 1.00 0.00 H new ATOM 0 HZ1 LYS p 56 -2.298 -10.511 6.302 1.00 0.00 H new ATOM 0 HZ2 LYS p 56 -0.739 -10.305 5.662 1.00 0.00 H new ATOM 0 HZ3 LYS p 56 -1.748 -8.958 5.889 1.00 0.00 H new ATOM 903 N LEU p 57 -0.715 -7.526 -2.299 1.00 0.00 N ATOM 904 CA LEU p 57 -0.238 -6.475 -3.161 1.00 0.00 C ATOM 905 C LEU p 57 -1.180 -6.427 -4.340 1.00 0.00 C ATOM 906 O LEU p 57 -1.617 -5.364 -4.771 1.00 0.00 O ATOM 907 CB LEU p 57 1.177 -6.835 -3.619 1.00 0.00 C ATOM 908 CG LEU p 57 2.077 -5.709 -4.116 1.00 0.00 C ATOM 909 CD1 LEU p 57 3.475 -6.259 -4.211 1.00 0.00 C ATOM 910 CD2 LEU p 57 1.629 -5.194 -5.476 1.00 0.00 C ATOM 0 H LEU p 57 -0.339 -8.437 -2.564 1.00 0.00 H new ATOM 0 HA LEU p 57 -0.207 -5.507 -2.661 1.00 0.00 H new ATOM 0 HB2 LEU p 57 1.683 -7.324 -2.787 1.00 0.00 H new ATOM 0 HB3 LEU p 57 1.092 -7.572 -4.418 1.00 0.00 H new ATOM 0 HG LEU p 57 2.029 -4.869 -3.423 1.00 0.00 H new ATOM 0 HD11 LEU p 57 4.150 -5.479 -4.565 1.00 0.00 H new ATOM 0 HD12 LEU p 57 3.799 -6.601 -3.228 1.00 0.00 H new ATOM 0 HD13 LEU p 57 3.490 -7.096 -4.909 1.00 0.00 H new ATOM 0 HD21 LEU p 57 2.293 -4.392 -5.798 1.00 0.00 H new ATOM 0 HD22 LEU p 57 1.662 -6.007 -6.202 1.00 0.00 H new ATOM 0 HD23 LEU p 57 0.610 -4.814 -5.403 1.00 0.00 H new ATOM 922 N ALA p 58 -1.461 -7.638 -4.853 1.00 0.00 N ATOM 923 CA ALA p 58 -2.419 -7.824 -5.962 1.00 0.00 C ATOM 924 C ALA p 58 -3.839 -7.492 -5.491 1.00 0.00 C ATOM 925 O ALA p 58 -4.752 -7.288 -6.296 1.00 0.00 O ATOM 926 CB ALA p 58 -2.363 -9.242 -6.509 1.00 0.00 C ATOM 0 H ALA p 58 -1.039 -8.504 -4.518 1.00 0.00 H new ATOM 0 HA ALA p 58 -2.141 -7.144 -6.767 1.00 0.00 H new ATOM 0 HB1 ALA p 58 -3.080 -9.346 -7.324 1.00 0.00 H new ATOM 0 HB2 ALA p 58 -1.359 -9.450 -6.880 1.00 0.00 H new ATOM 0 HB3 ALA p 58 -2.610 -9.948 -5.716 1.00 0.00 H new ATOM 932 N GLN p 59 -3.986 -7.449 -4.160 1.00 0.00 N ATOM 933 CA GLN p 59 -5.214 -7.115 -3.486 1.00 0.00 C ATOM 934 C GLN p 59 -5.196 -5.625 -3.164 1.00 0.00 C ATOM 935 O GLN p 59 -6.235 -5.001 -3.048 1.00 0.00 O ATOM 936 CB GLN p 59 -5.298 -7.962 -2.213 1.00 0.00 C ATOM 937 CG GLN p 59 -6.221 -7.420 -1.147 1.00 0.00 C ATOM 938 CD GLN p 59 -7.330 -8.382 -0.773 1.00 0.00 C ATOM 939 OE1 GLN p 59 -7.175 -9.208 0.126 1.00 0.00 O ATOM 940 NE2 GLN p 59 -8.460 -8.280 -1.464 1.00 0.00 N ATOM 0 H GLN p 59 -3.221 -7.655 -3.518 1.00 0.00 H new ATOM 0 HA GLN p 59 -6.087 -7.322 -4.105 1.00 0.00 H new ATOM 0 HB2 GLN p 59 -5.628 -8.965 -2.483 1.00 0.00 H new ATOM 0 HB3 GLN p 59 -4.297 -8.058 -1.792 1.00 0.00 H new ATOM 0 HG2 GLN p 59 -5.638 -7.184 -0.257 1.00 0.00 H new ATOM 0 HG3 GLN p 59 -6.661 -6.486 -1.497 1.00 0.00 H new ATOM 0 HE21 GLN p 59 -8.545 -7.580 -2.201 1.00 0.00 H new ATOM 0 HE22 GLN p 59 -9.242 -8.901 -1.257 1.00 0.00 H new ATOM 949 N LEU p 60 -3.978 -5.104 -3.013 1.00 0.00 N ATOM 950 CA LEU p 60 -3.715 -3.686 -2.725 1.00 0.00 C ATOM 951 C LEU p 60 -3.686 -2.891 -4.038 1.00 0.00 C ATOM 952 O LEU p 60 -3.709 -1.662 -4.056 1.00 0.00 O ATOM 953 CB LEU p 60 -2.373 -3.556 -1.974 1.00 0.00 C ATOM 954 CG LEU p 60 -2.000 -2.164 -1.417 1.00 0.00 C ATOM 955 CD1 LEU p 60 -1.129 -1.426 -2.417 1.00 0.00 C ATOM 956 CD2 LEU p 60 -3.243 -1.349 -1.090 1.00 0.00 C ATOM 0 H LEU p 60 -3.128 -5.663 -3.088 1.00 0.00 H new ATOM 0 HA LEU p 60 -4.507 -3.282 -2.095 1.00 0.00 H new ATOM 0 HB2 LEU p 60 -2.384 -4.260 -1.142 1.00 0.00 H new ATOM 0 HB3 LEU p 60 -1.578 -3.873 -2.649 1.00 0.00 H new ATOM 0 HG LEU p 60 -1.443 -2.303 -0.491 1.00 0.00 H new ATOM 0 HD11 LEU p 60 -0.869 -0.445 -2.019 1.00 0.00 H new ATOM 0 HD12 LEU p 60 -0.218 -1.997 -2.598 1.00 0.00 H new ATOM 0 HD13 LEU p 60 -1.673 -1.305 -3.354 1.00 0.00 H new ATOM 0 HD21 LEU p 60 -2.947 -0.375 -0.700 1.00 0.00 H new ATOM 0 HD22 LEU p 60 -3.837 -1.213 -1.994 1.00 0.00 H new ATOM 0 HD23 LEU p 60 -3.836 -1.874 -0.342 1.00 0.00 H new ATOM 968 N LYS p 61 -3.623 -3.661 -5.107 1.00 0.00 N ATOM 969 CA LYS p 61 -3.611 -3.212 -6.481 1.00 0.00 C ATOM 970 C LYS p 61 -5.039 -3.267 -6.973 1.00 0.00 C ATOM 971 O LYS p 61 -5.476 -2.484 -7.819 1.00 0.00 O ATOM 972 CB LYS p 61 -2.711 -4.129 -7.306 1.00 0.00 C ATOM 973 CG LYS p 61 -1.309 -3.586 -7.500 1.00 0.00 C ATOM 974 CD LYS p 61 -0.605 -4.263 -8.666 1.00 0.00 C ATOM 975 CE LYS p 61 0.793 -3.705 -8.875 1.00 0.00 C ATOM 976 NZ LYS p 61 1.486 -4.358 -10.019 1.00 0.00 N ATOM 0 H LYS p 61 -3.576 -4.677 -5.032 1.00 0.00 H new ATOM 0 HA LYS p 61 -3.222 -2.198 -6.572 1.00 0.00 H new ATOM 0 HB2 LYS p 61 -2.651 -5.101 -6.817 1.00 0.00 H new ATOM 0 HB3 LYS p 61 -3.168 -4.291 -8.282 1.00 0.00 H new ATOM 0 HG2 LYS p 61 -1.355 -2.511 -7.676 1.00 0.00 H new ATOM 0 HG3 LYS p 61 -0.731 -3.735 -6.588 1.00 0.00 H new ATOM 0 HD2 LYS p 61 -0.546 -5.336 -8.483 1.00 0.00 H new ATOM 0 HD3 LYS p 61 -1.191 -4.127 -9.575 1.00 0.00 H new ATOM 0 HE2 LYS p 61 0.733 -2.631 -9.052 1.00 0.00 H new ATOM 0 HE3 LYS p 61 1.380 -3.846 -7.967 1.00 0.00 H new ATOM 0 HZ1 LYS p 61 2.436 -3.949 -10.128 1.00 0.00 H new ATOM 0 HZ2 LYS p 61 1.567 -5.379 -9.839 1.00 0.00 H new ATOM 0 HZ3 LYS p 61 0.940 -4.202 -10.890 1.00 0.00 H new ATOM 990 N TRP p 62 -5.742 -4.245 -6.398 1.00 0.00 N ATOM 991 CA TRP p 62 -7.154 -4.466 -6.632 1.00 0.00 C ATOM 992 C TRP p 62 -7.923 -3.560 -5.692 1.00 0.00 C ATOM 993 O TRP p 62 -9.039 -3.126 -5.993 1.00 0.00 O ATOM 994 CB TRP p 62 -7.525 -5.928 -6.394 1.00 0.00 C ATOM 995 CG TRP p 62 -8.242 -6.558 -7.553 1.00 0.00 C ATOM 996 CD1 TRP p 62 -7.672 -7.230 -8.595 1.00 0.00 C ATOM 997 CD2 TRP p 62 -9.659 -6.572 -7.793 1.00 0.00 C ATOM 998 NE1 TRP p 62 -8.641 -7.662 -9.467 1.00 0.00 N ATOM 999 CE2 TRP p 62 -9.868 -7.272 -8.998 1.00 0.00 C ATOM 1000 CE3 TRP p 62 -10.772 -6.063 -7.110 1.00 0.00 C ATOM 1001 CZ2 TRP p 62 -11.138 -7.476 -9.531 1.00 0.00 C ATOM 1002 CZ3 TRP p 62 -12.031 -6.267 -7.641 1.00 0.00 C ATOM 1003 CH2 TRP p 62 -12.206 -6.968 -8.842 1.00 0.00 C ATOM 0 H TRP p 62 -5.330 -4.913 -5.746 1.00 0.00 H new ATOM 0 HA TRP p 62 -7.402 -4.237 -7.668 1.00 0.00 H new ATOM 0 HB2 TRP p 62 -6.618 -6.496 -6.185 1.00 0.00 H new ATOM 0 HB3 TRP p 62 -8.155 -5.995 -5.507 1.00 0.00 H new ATOM 0 HD1 TRP p 62 -6.612 -7.398 -8.716 1.00 0.00 H new ATOM 0 HE1 TRP p 62 -8.474 -8.188 -10.325 1.00 0.00 H new ATOM 0 HE3 TRP p 62 -10.648 -5.521 -6.184 1.00 0.00 H new ATOM 0 HZ2 TRP p 62 -11.276 -8.016 -10.456 1.00 0.00 H new ATOM 0 HZ3 TRP p 62 -12.895 -5.880 -7.122 1.00 0.00 H new ATOM 0 HH2 TRP p 62 -13.203 -7.110 -9.231 1.00 0.00 H new ATOM 1014 N LYS p 63 -7.293 -3.284 -4.536 1.00 0.00 N ATOM 1015 CA LYS p 63 -7.873 -2.369 -3.547 1.00 0.00 C ATOM 1016 C LYS p 63 -7.508 -0.921 -3.870 1.00 0.00 C ATOM 1017 O LYS p 63 -8.125 -0.012 -3.358 1.00 0.00 O ATOM 1018 CB LYS p 63 -7.439 -2.708 -2.123 1.00 0.00 C ATOM 1019 CG LYS p 63 -8.356 -3.698 -1.426 1.00 0.00 C ATOM 1020 CD LYS p 63 -8.084 -3.752 0.069 1.00 0.00 C ATOM 1021 CE LYS p 63 -9.010 -4.732 0.768 1.00 0.00 C ATOM 1022 NZ LYS p 63 -8.756 -4.787 2.234 1.00 0.00 N ATOM 0 H LYS p 63 -6.391 -3.679 -4.269 1.00 0.00 H new ATOM 0 HA LYS p 63 -8.955 -2.489 -3.602 1.00 0.00 H new ATOM 0 HB2 LYS p 63 -6.429 -3.117 -2.148 1.00 0.00 H new ATOM 0 HB3 LYS p 63 -7.397 -1.790 -1.537 1.00 0.00 H new ATOM 0 HG2 LYS p 63 -9.395 -3.417 -1.598 1.00 0.00 H new ATOM 0 HG3 LYS p 63 -8.219 -4.689 -1.858 1.00 0.00 H new ATOM 0 HD2 LYS p 63 -7.048 -4.043 0.241 1.00 0.00 H new ATOM 0 HD3 LYS p 63 -8.212 -2.759 0.499 1.00 0.00 H new ATOM 0 HE2 LYS p 63 -10.046 -4.443 0.590 1.00 0.00 H new ATOM 0 HE3 LYS p 63 -8.878 -5.725 0.339 1.00 0.00 H new ATOM 0 HZ1 LYS p 63 -9.408 -5.467 2.674 1.00 0.00 H new ATOM 0 HZ2 LYS p 63 -7.775 -5.087 2.405 1.00 0.00 H new ATOM 0 HZ3 LYS p 63 -8.907 -3.845 2.648 1.00 0.00 H new ATOM 1036 N LEU p 64 -6.496 -0.741 -4.729 1.00 0.00 N ATOM 1037 CA LEU p 64 -6.019 0.578 -5.191 1.00 0.00 C ATOM 1038 C LEU p 64 -7.040 1.231 -6.107 1.00 0.00 C ATOM 1039 O LEU p 64 -7.046 2.425 -6.338 1.00 0.00 O ATOM 1040 CB LEU p 64 -4.672 0.372 -5.907 1.00 0.00 C ATOM 1041 CG LEU p 64 -4.598 0.665 -7.420 1.00 0.00 C ATOM 1042 CD1 LEU p 64 -4.337 2.133 -7.652 1.00 0.00 C ATOM 1043 CD2 LEU p 64 -3.520 -0.170 -8.092 1.00 0.00 C ATOM 0 H LEU p 64 -5.974 -1.519 -5.132 1.00 0.00 H new ATOM 0 HA LEU p 64 -5.884 1.249 -4.343 1.00 0.00 H new ATOM 0 HB2 LEU p 64 -3.932 0.999 -5.410 1.00 0.00 H new ATOM 0 HB3 LEU p 64 -4.368 -0.663 -5.753 1.00 0.00 H new ATOM 0 HG LEU p 64 -5.557 0.396 -7.863 1.00 0.00 H new ATOM 0 HD11 LEU p 64 -4.287 2.329 -8.723 1.00 0.00 H new ATOM 0 HD12 LEU p 64 -5.144 2.720 -7.213 1.00 0.00 H new ATOM 0 HD13 LEU p 64 -3.391 2.412 -7.187 1.00 0.00 H new ATOM 0 HD21 LEU p 64 -3.493 0.060 -9.157 1.00 0.00 H new ATOM 0 HD22 LEU p 64 -2.552 0.059 -7.647 1.00 0.00 H new ATOM 0 HD23 LEU p 64 -3.741 -1.228 -7.954 1.00 0.00 H new ATOM 1055 N GLN p 65 -7.859 0.378 -6.607 1.00 0.00 N ATOM 1056 CA GLN p 65 -8.951 0.681 -7.492 1.00 0.00 C ATOM 1057 C GLN p 65 -10.181 0.845 -6.615 1.00 0.00 C ATOM 1058 O GLN p 65 -11.211 1.344 -7.031 1.00 0.00 O ATOM 1059 CB GLN p 65 -9.084 -0.484 -8.483 1.00 0.00 C ATOM 1060 CG GLN p 65 -10.476 -0.699 -9.042 1.00 0.00 C ATOM 1061 CD GLN p 65 -10.497 -0.833 -10.552 1.00 0.00 C ATOM 1062 OE1 GLN p 65 -10.631 0.155 -11.273 1.00 0.00 O ATOM 1063 NE2 GLN p 65 -10.364 -2.062 -11.039 1.00 0.00 N ATOM 0 H GLN p 65 -7.789 -0.619 -6.402 1.00 0.00 H new ATOM 0 HA GLN p 65 -8.806 1.593 -8.071 1.00 0.00 H new ATOM 0 HB2 GLN p 65 -8.399 -0.314 -9.313 1.00 0.00 H new ATOM 0 HB3 GLN p 65 -8.763 -1.400 -7.987 1.00 0.00 H new ATOM 0 HG2 GLN p 65 -10.905 -1.597 -8.598 1.00 0.00 H new ATOM 0 HG3 GLN p 65 -11.112 0.136 -8.749 1.00 0.00 H new ATOM 0 HE21 GLN p 65 -10.255 -2.853 -10.404 1.00 0.00 H new ATOM 0 HE22 GLN p 65 -10.371 -2.214 -12.048 1.00 0.00 H new ATOM 1072 N ALA p 66 -10.039 0.288 -5.427 1.00 0.00 N ATOM 1073 CA ALA p 66 -11.048 0.341 -4.382 1.00 0.00 C ATOM 1074 C ALA p 66 -10.719 1.423 -3.370 1.00 0.00 C ATOM 1075 O ALA p 66 -11.609 1.965 -2.724 1.00 0.00 O ATOM 1076 CB ALA p 66 -11.213 -1.010 -3.700 1.00 0.00 C ATOM 0 H ALA p 66 -9.201 -0.226 -5.154 1.00 0.00 H new ATOM 0 HA ALA p 66 -11.999 0.591 -4.851 1.00 0.00 H new ATOM 0 HB1 ALA p 66 -11.975 -0.935 -2.924 1.00 0.00 H new ATOM 0 HB2 ALA p 66 -11.517 -1.754 -4.436 1.00 0.00 H new ATOM 0 HB3 ALA p 66 -10.266 -1.309 -3.251 1.00 0.00 H new ATOM 1082 N LEU p 67 -9.412 1.702 -3.239 1.00 0.00 N ATOM 1083 CA LEU p 67 -8.888 2.688 -2.322 1.00 0.00 C ATOM 1084 C LEU p 67 -8.704 3.992 -3.058 1.00 0.00 C ATOM 1085 O LEU p 67 -8.952 5.060 -2.511 1.00 0.00 O ATOM 1086 CB LEU p 67 -7.568 2.169 -1.716 1.00 0.00 C ATOM 1087 CG LEU p 67 -6.254 2.765 -2.255 1.00 0.00 C ATOM 1088 CD1 LEU p 67 -5.903 4.045 -1.526 1.00 0.00 C ATOM 1089 CD2 LEU p 67 -5.122 1.765 -2.152 1.00 0.00 C ATOM 0 H LEU p 67 -8.689 1.232 -3.784 1.00 0.00 H new ATOM 0 HA LEU p 67 -9.582 2.862 -1.499 1.00 0.00 H new ATOM 0 HB2 LEU p 67 -7.600 2.344 -0.641 1.00 0.00 H new ATOM 0 HB3 LEU p 67 -7.532 1.089 -1.862 1.00 0.00 H new ATOM 0 HG LEU p 67 -6.402 3.002 -3.309 1.00 0.00 H new ATOM 0 HD11 LEU p 67 -4.971 4.447 -1.924 1.00 0.00 H new ATOM 0 HD12 LEU p 67 -6.701 4.774 -1.665 1.00 0.00 H new ATOM 0 HD13 LEU p 67 -5.783 3.837 -0.463 1.00 0.00 H new ATOM 0 HD21 LEU p 67 -4.206 2.211 -2.539 1.00 0.00 H new ATOM 0 HD22 LEU p 67 -4.977 1.486 -1.108 1.00 0.00 H new ATOM 0 HD23 LEU p 67 -5.367 0.877 -2.734 1.00 0.00 H new ATOM 1101 N LYS p 68 -8.221 3.870 -4.297 1.00 0.00 N ATOM 1102 CA LYS p 68 -8.034 5.032 -5.166 1.00 0.00 C ATOM 1103 C LYS p 68 -9.361 5.415 -5.776 1.00 0.00 C ATOM 1104 O LYS p 68 -9.527 6.543 -6.224 1.00 0.00 O ATOM 1105 CB LYS p 68 -6.961 4.849 -6.243 1.00 0.00 C ATOM 1106 CG LYS p 68 -5.539 5.013 -5.720 1.00 0.00 C ATOM 1107 CD LYS p 68 -4.598 5.511 -6.807 1.00 0.00 C ATOM 1108 CE LYS p 68 -3.156 5.538 -6.325 1.00 0.00 C ATOM 1109 NZ LYS p 68 -2.228 6.026 -7.381 1.00 0.00 N ATOM 0 H LYS p 68 -7.953 2.981 -4.719 1.00 0.00 H new ATOM 0 HA LYS p 68 -7.659 5.840 -4.538 1.00 0.00 H new ATOM 0 HB2 LYS p 68 -7.065 3.857 -6.683 1.00 0.00 H new ATOM 0 HB3 LYS p 68 -7.132 5.572 -7.041 1.00 0.00 H new ATOM 0 HG2 LYS p 68 -5.536 5.714 -4.886 1.00 0.00 H new ATOM 0 HG3 LYS p 68 -5.179 4.059 -5.336 1.00 0.00 H new ATOM 0 HD2 LYS p 68 -4.678 4.867 -7.683 1.00 0.00 H new ATOM 0 HD3 LYS p 68 -4.897 6.512 -7.119 1.00 0.00 H new ATOM 0 HE2 LYS p 68 -3.078 6.180 -5.448 1.00 0.00 H new ATOM 0 HE3 LYS p 68 -2.858 4.537 -6.014 1.00 0.00 H new ATOM 0 HZ1 LYS p 68 -1.255 6.030 -7.014 1.00 0.00 H new ATOM 0 HZ2 LYS p 68 -2.283 5.399 -8.209 1.00 0.00 H new ATOM 0 HZ3 LYS p 68 -2.496 6.991 -7.660 1.00 0.00 H new ATOM 1123 N LYS p 69 -10.297 4.445 -5.816 1.00 0.00 N ATOM 1124 CA LYS p 69 -11.664 4.730 -6.250 1.00 0.00 C ATOM 1125 C LYS p 69 -12.406 5.278 -5.044 1.00 0.00 C ATOM 1126 O LYS p 69 -13.467 5.887 -5.166 1.00 0.00 O ATOM 1127 CB LYS p 69 -12.367 3.491 -6.774 1.00 0.00 C ATOM 1128 CG LYS p 69 -12.682 3.542 -8.263 1.00 0.00 C ATOM 1129 CD LYS p 69 -14.109 3.999 -8.522 1.00 0.00 C ATOM 1130 CE LYS p 69 -14.416 4.048 -10.011 1.00 0.00 C ATOM 1131 NZ LYS p 69 -15.808 4.502 -10.277 1.00 0.00 N ATOM 0 H LYS p 69 -10.127 3.474 -5.556 1.00 0.00 H new ATOM 0 HA LYS p 69 -11.645 5.446 -7.071 1.00 0.00 H new ATOM 0 HB2 LYS p 69 -11.743 2.620 -6.575 1.00 0.00 H new ATOM 0 HB3 LYS p 69 -13.296 3.351 -6.221 1.00 0.00 H new ATOM 0 HG2 LYS p 69 -11.987 4.220 -8.759 1.00 0.00 H new ATOM 0 HG3 LYS p 69 -12.531 2.555 -8.701 1.00 0.00 H new ATOM 0 HD2 LYS p 69 -14.805 3.321 -8.028 1.00 0.00 H new ATOM 0 HD3 LYS p 69 -14.261 4.986 -8.085 1.00 0.00 H new ATOM 0 HE2 LYS p 69 -13.714 4.721 -10.504 1.00 0.00 H new ATOM 0 HE3 LYS p 69 -14.268 3.059 -10.445 1.00 0.00 H new ATOM 0 HZ1 LYS p 69 -15.977 4.521 -11.303 1.00 0.00 H new ATOM 0 HZ2 LYS p 69 -16.479 3.846 -9.828 1.00 0.00 H new ATOM 0 HZ3 LYS p 69 -15.943 5.456 -9.886 1.00 0.00 H new ATOM 1145 N LYS p 70 -11.799 5.011 -3.876 1.00 0.00 N ATOM 1146 CA LYS p 70 -12.265 5.490 -2.585 1.00 0.00 C ATOM 1147 C LYS p 70 -11.568 6.805 -2.287 1.00 0.00 C ATOM 1148 O LYS p 70 -12.050 7.614 -1.499 1.00 0.00 O ATOM 1149 CB LYS p 70 -11.959 4.486 -1.486 1.00 0.00 C ATOM 1150 CG LYS p 70 -13.187 3.794 -0.916 1.00 0.00 C ATOM 1151 CD LYS p 70 -13.669 4.460 0.363 1.00 0.00 C ATOM 1152 CE LYS p 70 -14.892 3.759 0.930 1.00 0.00 C ATOM 1153 NZ LYS p 70 -15.369 4.401 2.187 1.00 0.00 N ATOM 0 H LYS p 70 -10.954 4.443 -3.813 1.00 0.00 H new ATOM 0 HA LYS p 70 -13.346 5.626 -2.620 1.00 0.00 H new ATOM 0 HB2 LYS p 70 -11.279 3.730 -1.879 1.00 0.00 H new ATOM 0 HB3 LYS p 70 -11.435 4.997 -0.678 1.00 0.00 H new ATOM 0 HG2 LYS p 70 -13.987 3.806 -1.656 1.00 0.00 H new ATOM 0 HG3 LYS p 70 -12.954 2.748 -0.716 1.00 0.00 H new ATOM 0 HD2 LYS p 70 -12.868 4.452 1.103 1.00 0.00 H new ATOM 0 HD3 LYS p 70 -13.907 5.505 0.163 1.00 0.00 H new ATOM 0 HE2 LYS p 70 -15.692 3.771 0.190 1.00 0.00 H new ATOM 0 HE3 LYS p 70 -14.653 2.713 1.125 1.00 0.00 H new ATOM 0 HZ1 LYS p 70 -16.204 3.893 2.541 1.00 0.00 H new ATOM 0 HZ2 LYS p 70 -14.615 4.367 2.902 1.00 0.00 H new ATOM 0 HZ3 LYS p 70 -15.622 5.392 1.997 1.00 0.00 H new ATOM 1167 N ASN p 71 -10.398 6.963 -2.926 1.00 0.00 N ATOM 1168 CA ASN p 71 -9.586 8.181 -2.839 1.00 0.00 C ATOM 1169 C ASN p 71 -10.032 9.125 -3.952 1.00 0.00 C ATOM 1170 O ASN p 71 -9.713 10.310 -3.950 1.00 0.00 O ATOM 1171 CB ASN p 71 -8.090 7.880 -2.965 1.00 0.00 C ATOM 1172 CG ASN p 71 -7.230 8.880 -2.214 1.00 0.00 C ATOM 1173 OD1 ASN p 71 -6.922 8.691 -1.038 1.00 0.00 O ATOM 1174 ND2 ASN p 71 -6.839 9.953 -2.894 1.00 0.00 N ATOM 0 H ASN p 71 -9.989 6.243 -3.521 1.00 0.00 H new ATOM 0 HA ASN p 71 -9.733 8.640 -1.861 1.00 0.00 H new ATOM 0 HB2 ASN p 71 -7.891 6.878 -2.585 1.00 0.00 H new ATOM 0 HB3 ASN p 71 -7.810 7.883 -4.018 1.00 0.00 H new ATOM 0 HD21 ASN p 71 -6.260 10.660 -2.442 1.00 0.00 H new ATOM 0 HD22 ASN p 71 -7.118 10.069 -3.868 1.00 0.00 H new ATOM 1181 N ALA p 72 -10.757 8.526 -4.911 1.00 0.00 N ATOM 1182 CA ALA p 72 -11.372 9.208 -6.042 1.00 0.00 C ATOM 1183 C ALA p 72 -12.776 9.545 -5.611 1.00 0.00 C ATOM 1184 O ALA p 72 -13.428 10.417 -6.172 1.00 0.00 O ATOM 1185 CB ALA p 72 -11.395 8.348 -7.297 1.00 0.00 C ATOM 0 H ALA p 72 -10.932 7.521 -4.913 1.00 0.00 H new ATOM 0 HA ALA p 72 -10.796 10.096 -6.303 1.00 0.00 H new ATOM 0 HB1 ALA p 72 -11.863 8.903 -8.110 1.00 0.00 H new ATOM 0 HB2 ALA p 72 -10.375 8.086 -7.577 1.00 0.00 H new ATOM 0 HB3 ALA p 72 -11.963 7.438 -7.104 1.00 0.00 H new ATOM 1191 N GLN p 73 -13.212 8.776 -4.594 1.00 0.00 N ATOM 1192 CA GLN p 73 -14.465 8.921 -3.928 1.00 0.00 C ATOM 1193 C GLN p 73 -14.272 9.990 -2.879 1.00 0.00 C ATOM 1194 O GLN p 73 -15.166 10.761 -2.564 1.00 0.00 O ATOM 1195 CB GLN p 73 -14.760 7.601 -3.269 1.00 0.00 C ATOM 1196 CG GLN p 73 -16.084 7.539 -2.597 1.00 0.00 C ATOM 1197 CD GLN p 73 -17.044 6.557 -3.239 1.00 0.00 C ATOM 1198 OE1 GLN p 73 -17.090 5.383 -2.868 1.00 0.00 O ATOM 1199 NE2 GLN p 73 -17.818 7.032 -4.207 1.00 0.00 N ATOM 0 H GLN p 73 -12.654 8.009 -4.218 1.00 0.00 H new ATOM 0 HA GLN p 73 -15.280 9.194 -4.598 1.00 0.00 H new ATOM 0 HB2 GLN p 73 -14.709 6.813 -4.020 1.00 0.00 H new ATOM 0 HB3 GLN p 73 -13.982 7.392 -2.535 1.00 0.00 H new ATOM 0 HG2 GLN p 73 -15.940 7.263 -1.552 1.00 0.00 H new ATOM 0 HG3 GLN p 73 -16.533 8.532 -2.605 1.00 0.00 H new ATOM 0 HE21 GLN p 73 -17.747 8.011 -4.483 1.00 0.00 H new ATOM 0 HE22 GLN p 73 -18.484 6.418 -4.675 1.00 0.00 H new ATOM 1208 N LEU p 74 -13.060 9.933 -2.332 1.00 0.00 N ATOM 1209 CA LEU p 74 -12.556 10.881 -1.349 1.00 0.00 C ATOM 1210 C LEU p 74 -12.185 12.157 -2.076 1.00 0.00 C ATOM 1211 O LEU p 74 -12.289 13.231 -1.540 1.00 0.00 O ATOM 1212 CB LEU p 74 -11.333 10.307 -0.637 1.00 0.00 C ATOM 1213 CG LEU p 74 -10.938 10.952 0.697 1.00 0.00 C ATOM 1214 CD1 LEU p 74 -11.881 10.547 1.827 1.00 0.00 C ATOM 1215 CD2 LEU p 74 -9.516 10.551 1.020 1.00 0.00 C ATOM 0 H LEU p 74 -12.385 9.205 -2.569 1.00 0.00 H new ATOM 0 HA LEU p 74 -13.319 11.083 -0.597 1.00 0.00 H new ATOM 0 HB2 LEU p 74 -11.510 9.246 -0.461 1.00 0.00 H new ATOM 0 HB3 LEU p 74 -10.482 10.380 -1.314 1.00 0.00 H new ATOM 0 HG LEU p 74 -11.012 12.035 0.601 1.00 0.00 H new ATOM 0 HD11 LEU p 74 -11.565 11.026 2.754 1.00 0.00 H new ATOM 0 HD12 LEU p 74 -12.896 10.861 1.584 1.00 0.00 H new ATOM 0 HD13 LEU p 74 -11.856 9.464 1.951 1.00 0.00 H new ATOM 0 HD21 LEU p 74 -9.217 11.001 1.967 1.00 0.00 H new ATOM 0 HD22 LEU p 74 -9.453 9.466 1.098 1.00 0.00 H new ATOM 0 HD23 LEU p 74 -8.852 10.897 0.228 1.00 0.00 H new ATOM 1227 N LYS p 75 -11.786 11.989 -3.334 1.00 0.00 N ATOM 1228 CA LYS p 75 -11.439 13.097 -4.219 1.00 0.00 C ATOM 1229 C LYS p 75 -12.733 13.606 -4.798 1.00 0.00 C ATOM 1230 O LYS p 75 -12.832 14.735 -5.290 1.00 0.00 O ATOM 1231 CB LYS p 75 -10.505 12.640 -5.332 1.00 0.00 C ATOM 1232 CG LYS p 75 -9.157 13.344 -5.347 1.00 0.00 C ATOM 1233 CD LYS p 75 -9.021 14.265 -6.550 1.00 0.00 C ATOM 1234 CE LYS p 75 -7.670 14.967 -6.576 1.00 0.00 C ATOM 1235 NZ LYS p 75 -6.561 14.043 -6.951 1.00 0.00 N ATOM 0 H LYS p 75 -11.694 11.072 -3.771 1.00 0.00 H new ATOM 0 HA LYS p 75 -10.915 13.878 -3.668 1.00 0.00 H new ATOM 0 HB2 LYS p 75 -10.340 11.567 -5.234 1.00 0.00 H new ATOM 0 HB3 LYS p 75 -10.996 12.801 -6.292 1.00 0.00 H new ATOM 0 HG2 LYS p 75 -9.037 13.921 -4.430 1.00 0.00 H new ATOM 0 HG3 LYS p 75 -8.358 12.602 -5.363 1.00 0.00 H new ATOM 0 HD2 LYS p 75 -9.148 13.688 -7.466 1.00 0.00 H new ATOM 0 HD3 LYS p 75 -9.817 15.009 -6.529 1.00 0.00 H new ATOM 0 HE2 LYS p 75 -7.706 15.794 -7.285 1.00 0.00 H new ATOM 0 HE3 LYS p 75 -7.467 15.396 -5.595 1.00 0.00 H new ATOM 0 HZ1 LYS p 75 -5.661 14.564 -6.956 1.00 0.00 H new ATOM 0 HZ2 LYS p 75 -6.508 13.267 -6.261 1.00 0.00 H new ATOM 0 HZ3 LYS p 75 -6.740 13.653 -7.898 1.00 0.00 H new ATOM 1249 N LYS p 76 -13.728 12.715 -4.720 1.00 0.00 N ATOM 1250 CA LYS p 76 -15.088 13.019 -5.140 1.00 0.00 C ATOM 1251 C LYS p 76 -15.805 13.622 -3.956 1.00 0.00 C ATOM 1252 O LYS p 76 -16.697 14.461 -4.107 1.00 0.00 O ATOM 1253 CB LYS p 76 -15.816 11.774 -5.623 1.00 0.00 C ATOM 1254 CG LYS p 76 -16.008 11.710 -7.132 1.00 0.00 C ATOM 1255 CD LYS p 76 -17.368 12.247 -7.550 1.00 0.00 C ATOM 1256 CE LYS p 76 -17.557 12.175 -9.057 1.00 0.00 C ATOM 1257 NZ LYS p 76 -18.887 12.695 -9.477 1.00 0.00 N ATOM 0 H LYS p 76 -13.607 11.767 -4.364 1.00 0.00 H new ATOM 0 HA LYS p 76 -15.067 13.716 -5.978 1.00 0.00 H new ATOM 0 HB2 LYS p 76 -15.260 10.894 -5.301 1.00 0.00 H new ATOM 0 HB3 LYS p 76 -16.793 11.728 -5.141 1.00 0.00 H new ATOM 0 HG2 LYS p 76 -15.223 12.285 -7.623 1.00 0.00 H new ATOM 0 HG3 LYS p 76 -15.905 10.678 -7.468 1.00 0.00 H new ATOM 0 HD2 LYS p 76 -18.154 11.675 -7.056 1.00 0.00 H new ATOM 0 HD3 LYS p 76 -17.470 13.280 -7.219 1.00 0.00 H new ATOM 0 HE2 LYS p 76 -16.771 12.749 -9.549 1.00 0.00 H new ATOM 0 HE3 LYS p 76 -17.451 11.142 -9.387 1.00 0.00 H new ATOM 0 HZ1 LYS p 76 -18.975 12.628 -10.511 1.00 0.00 H new ATOM 0 HZ2 LYS p 76 -19.637 12.132 -9.028 1.00 0.00 H new ATOM 0 HZ3 LYS p 76 -18.979 13.689 -9.185 1.00 0.00 H new ATOM 1271 N LYS p 77 -15.389 13.166 -2.768 1.00 0.00 N ATOM 1272 CA LYS p 77 -15.915 13.685 -1.523 1.00 0.00 C ATOM 1273 C LYS p 77 -15.111 14.906 -1.085 1.00 0.00 C ATOM 1274 O LYS p 77 -15.558 15.678 -0.232 1.00 0.00 O ATOM 1275 CB LYS p 77 -15.890 12.613 -0.443 1.00 0.00 C ATOM 1276 CG LYS p 77 -17.176 11.812 -0.346 1.00 0.00 C ATOM 1277 CD LYS p 77 -17.228 10.992 0.935 1.00 0.00 C ATOM 1278 CE LYS p 77 -18.523 10.199 1.047 1.00 0.00 C ATOM 1279 NZ LYS p 77 -18.557 9.038 0.113 1.00 0.00 N ATOM 0 H LYS p 77 -14.686 12.435 -2.655 1.00 0.00 H new ATOM 0 HA LYS p 77 -16.951 13.985 -1.679 1.00 0.00 H new ATOM 0 HB2 LYS p 77 -15.062 11.932 -0.639 1.00 0.00 H new ATOM 0 HB3 LYS p 77 -15.693 13.085 0.520 1.00 0.00 H new ATOM 0 HG2 LYS p 77 -18.030 12.488 -0.381 1.00 0.00 H new ATOM 0 HG3 LYS p 77 -17.259 11.149 -1.207 1.00 0.00 H new ATOM 0 HD2 LYS p 77 -16.380 10.308 0.964 1.00 0.00 H new ATOM 0 HD3 LYS p 77 -17.132 11.655 1.795 1.00 0.00 H new ATOM 0 HE2 LYS p 77 -18.641 9.843 2.070 1.00 0.00 H new ATOM 0 HE3 LYS p 77 -19.368 10.855 0.838 1.00 0.00 H new ATOM 0 HZ1 LYS p 77 -19.457 8.529 0.225 1.00 0.00 H new ATOM 0 HZ2 LYS p 77 -18.471 9.378 -0.866 1.00 0.00 H new ATOM 0 HZ3 LYS p 77 -17.767 8.397 0.328 1.00 0.00 H new ATOM 1293 N LEU p 78 -13.913 15.069 -1.684 1.00 0.00 N ATOM 1294 CA LEU p 78 -13.038 16.212 -1.391 1.00 0.00 C ATOM 1295 C LEU p 78 -13.669 17.528 -1.860 1.00 0.00 C ATOM 1296 O LEU p 78 -13.920 18.437 -1.063 1.00 0.00 O ATOM 1297 CB LEU p 78 -11.685 15.970 -2.086 1.00 0.00 C ATOM 1298 CG LEU p 78 -10.565 16.983 -1.847 1.00 0.00 C ATOM 1299 CD1 LEU p 78 -9.241 16.285 -2.031 1.00 0.00 C ATOM 1300 CD2 LEU p 78 -10.676 18.148 -2.818 1.00 0.00 C ATOM 0 H LEU p 78 -13.534 14.420 -2.373 1.00 0.00 H new ATOM 0 HA LEU p 78 -12.893 16.298 -0.314 1.00 0.00 H new ATOM 0 HB2 LEU p 78 -11.321 14.990 -1.777 1.00 0.00 H new ATOM 0 HB3 LEU p 78 -11.865 15.919 -3.160 1.00 0.00 H new ATOM 0 HG LEU p 78 -10.645 17.380 -0.835 1.00 0.00 H new ATOM 0 HD11 LEU p 78 -8.430 16.994 -1.864 1.00 0.00 H new ATOM 0 HD12 LEU p 78 -9.159 15.465 -1.317 1.00 0.00 H new ATOM 0 HD13 LEU p 78 -9.175 15.891 -3.045 1.00 0.00 H new ATOM 0 HD21 LEU p 78 -9.869 18.856 -2.630 1.00 0.00 H new ATOM 0 HD22 LEU p 78 -10.603 17.778 -3.841 1.00 0.00 H new ATOM 0 HD23 LEU p 78 -11.636 18.646 -2.680 1.00 0.00 H new ATOM 1312 N GLN p 79 -13.911 17.593 -3.161 1.00 0.00 N ATOM 1313 CA GLN p 79 -14.517 18.750 -3.812 1.00 0.00 C ATOM 1314 C GLN p 79 -16.044 18.676 -3.800 1.00 0.00 C ATOM 1315 O GLN p 79 -16.723 19.669 -3.525 1.00 0.00 O ATOM 1316 CB GLN p 79 -13.997 18.879 -5.254 1.00 0.00 C ATOM 1317 CG GLN p 79 -13.795 17.559 -6.000 1.00 0.00 C ATOM 1318 CD GLN p 79 -13.281 17.761 -7.413 1.00 0.00 C ATOM 1319 OE1 GLN p 79 -12.073 17.795 -7.647 1.00 0.00 O ATOM 1320 NE2 GLN p 79 -14.200 17.896 -8.362 1.00 0.00 N ATOM 0 H GLN p 79 -13.690 16.834 -3.805 1.00 0.00 H new ATOM 0 HA GLN p 79 -14.230 19.636 -3.246 1.00 0.00 H new ATOM 0 HB2 GLN p 79 -14.697 19.493 -5.821 1.00 0.00 H new ATOM 0 HB3 GLN p 79 -13.047 19.414 -5.233 1.00 0.00 H new ATOM 0 HG2 GLN p 79 -13.091 16.937 -5.447 1.00 0.00 H new ATOM 0 HG3 GLN p 79 -14.740 17.017 -6.035 1.00 0.00 H new ATOM 0 HE21 GLN p 79 -15.191 17.861 -8.121 1.00 0.00 H new ATOM 0 HE22 GLN p 79 -13.915 18.035 -9.332 1.00 0.00 H new ATOM 1329 N ALA p 80 -16.558 17.479 -4.099 1.00 0.00 N ATOM 1330 CA ALA p 80 -18.010 17.181 -4.151 1.00 0.00 C ATOM 1331 C ALA p 80 -18.740 18.025 -5.204 1.00 0.00 C ATOM 1332 O ALA p 80 -18.826 19.261 -5.029 1.00 0.00 O ATOM 1333 CB ALA p 80 -18.666 17.342 -2.775 1.00 0.00 C ATOM 1334 OXT ALA p 80 -19.218 17.438 -6.197 1.00 0.00 O ATOM 0 H ALA p 80 -15.975 16.671 -4.317 1.00 0.00 H new ATOM 0 HA ALA p 80 -18.102 16.137 -4.451 1.00 0.00 H new ATOM 0 HB1 ALA p 80 -19.730 17.116 -2.850 1.00 0.00 H new ATOM 0 HB2 ALA p 80 -18.199 16.658 -2.067 1.00 0.00 H new ATOM 0 HB3 ALA p 80 -18.537 18.367 -2.428 1.00 0.00 H new