USER MOD reduce.3.24.130724 H: found=0, std=0, add=523, rem=0, adj=0 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 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 11 ASN : amide:sc= -0.165 K(o=-0.17,f=-1.3!) USER MOD Single : p 16 GLN : amide:sc= 0 X(o=0,f=0.048) USER MOD Single : p 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : p 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : p 27 LYS NZ :NH3+ 180:sc= 0 (180deg=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+ 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 71 ASN : amide:sc= 0 K(o=0,f=-3.1!) 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 -6.545 20.089 6.410 1.00 0.00 N ATOM 38 CA ALA p 3 -7.291 19.003 7.052 1.00 0.00 C ATOM 39 C ALA p 3 -7.614 17.880 6.083 1.00 0.00 C ATOM 40 O ALA p 3 -7.578 16.709 6.439 1.00 0.00 O ATOM 41 CB ALA p 3 -8.563 19.543 7.694 1.00 0.00 C ATOM 0 HA ALA p 3 -6.653 18.581 7.828 1.00 0.00 H new ATOM 0 HB1 ALA p 3 -9.107 18.726 8.167 1.00 0.00 H new ATOM 0 HB2 ALA p 3 -8.303 20.289 8.445 1.00 0.00 H new ATOM 0 HB3 ALA p 3 -9.190 20.002 6.929 1.00 0.00 H new ATOM 47 N LEU p 4 -7.991 18.292 4.880 1.00 0.00 N ATOM 48 CA LEU p 4 -8.369 17.428 3.790 1.00 0.00 C ATOM 49 C LEU p 4 -7.177 17.191 2.879 1.00 0.00 C ATOM 50 O LEU p 4 -6.730 16.065 2.684 1.00 0.00 O ATOM 51 CB LEU p 4 -9.517 18.110 3.038 1.00 0.00 C ATOM 52 CG LEU p 4 -10.412 17.223 2.183 1.00 0.00 C ATOM 53 CD1 LEU p 4 -11.717 17.946 1.959 1.00 0.00 C ATOM 54 CD2 LEU p 4 -9.745 16.908 0.853 1.00 0.00 C ATOM 0 H LEU p 4 -8.041 19.281 4.636 1.00 0.00 H new ATOM 0 HA LEU p 4 -8.695 16.455 4.156 1.00 0.00 H new ATOM 0 HB2 LEU p 4 -10.145 18.619 3.769 1.00 0.00 H new ATOM 0 HB3 LEU p 4 -9.090 18.879 2.395 1.00 0.00 H new ATOM 0 HG LEU p 4 -10.591 16.277 2.694 1.00 0.00 H new ATOM 0 HD11 LEU p 4 -12.375 17.328 1.348 1.00 0.00 H new ATOM 0 HD12 LEU p 4 -12.193 18.143 2.919 1.00 0.00 H new ATOM 0 HD13 LEU p 4 -11.527 18.890 1.448 1.00 0.00 H new ATOM 0 HD21 LEU p 4 -10.402 16.273 0.258 1.00 0.00 H new ATOM 0 HD22 LEU p 4 -9.551 17.836 0.314 1.00 0.00 H new ATOM 0 HD23 LEU p 4 -8.803 16.389 1.032 1.00 0.00 H new ATOM 66 N GLU p 5 -6.696 18.306 2.330 1.00 0.00 N ATOM 67 CA GLU p 5 -5.553 18.355 1.396 1.00 0.00 C ATOM 68 C GLU p 5 -4.280 17.803 2.006 1.00 0.00 C ATOM 69 O GLU p 5 -3.448 17.248 1.296 1.00 0.00 O ATOM 70 CB GLU p 5 -5.286 19.789 0.930 1.00 0.00 C ATOM 71 CG GLU p 5 -6.537 20.641 0.801 1.00 0.00 C ATOM 72 CD GLU p 5 -6.677 21.281 -0.566 1.00 0.00 C ATOM 73 OE1 GLU p 5 -6.169 22.407 -0.750 1.00 0.00 O ATOM 74 OE2 GLU p 5 -7.295 20.656 -1.453 1.00 0.00 O ATOM 0 H GLU p 5 -7.094 19.225 2.522 1.00 0.00 H new ATOM 0 HA GLU p 5 -5.832 17.729 0.548 1.00 0.00 H new ATOM 0 HB2 GLU p 5 -4.604 20.267 1.633 1.00 0.00 H new ATOM 0 HB3 GLU p 5 -4.779 19.758 -0.034 1.00 0.00 H new ATOM 0 HG2 GLU p 5 -7.413 20.023 0.999 1.00 0.00 H new ATOM 0 HG3 GLU p 5 -6.519 21.421 1.562 1.00 0.00 H new ATOM 81 N LYS p 6 -4.147 17.978 3.317 1.00 0.00 N ATOM 82 CA LYS p 6 -2.979 17.488 4.058 1.00 0.00 C ATOM 83 C LYS p 6 -3.255 16.105 4.623 1.00 0.00 C ATOM 84 O LYS p 6 -2.352 15.442 5.119 1.00 0.00 O ATOM 85 CB LYS p 6 -2.554 18.441 5.162 1.00 0.00 C ATOM 86 CG LYS p 6 -1.512 19.461 4.721 1.00 0.00 C ATOM 87 CD LYS p 6 -0.769 20.055 5.908 1.00 0.00 C ATOM 88 CE LYS p 6 0.369 20.956 5.455 1.00 0.00 C ATOM 89 NZ LYS p 6 1.177 21.453 6.604 1.00 0.00 N ATOM 0 H LYS p 6 -4.836 18.458 3.896 1.00 0.00 H new ATOM 0 HA LYS p 6 -2.150 17.427 3.353 1.00 0.00 H new ATOM 0 HB2 LYS p 6 -3.433 18.969 5.533 1.00 0.00 H new ATOM 0 HB3 LYS p 6 -2.154 17.863 5.995 1.00 0.00 H new ATOM 0 HG2 LYS p 6 -0.800 18.985 4.047 1.00 0.00 H new ATOM 0 HG3 LYS p 6 -1.998 20.259 4.160 1.00 0.00 H new ATOM 0 HD2 LYS p 6 -1.463 20.625 6.525 1.00 0.00 H new ATOM 0 HD3 LYS p 6 -0.374 19.252 6.531 1.00 0.00 H new ATOM 0 HE2 LYS p 6 1.014 20.408 4.768 1.00 0.00 H new ATOM 0 HE3 LYS p 6 -0.037 21.804 4.903 1.00 0.00 H new ATOM 0 HZ1 LYS p 6 1.942 22.063 6.252 1.00 0.00 H new ATOM 0 HZ2 LYS p 6 0.568 21.998 7.247 1.00 0.00 H new ATOM 0 HZ3 LYS p 6 1.586 20.645 7.116 1.00 0.00 H new ATOM 103 N GLU p 7 -4.532 15.715 4.565 1.00 0.00 N ATOM 104 CA GLU p 7 -5.001 14.393 4.965 1.00 0.00 C ATOM 105 C GLU p 7 -4.896 13.509 3.726 1.00 0.00 C ATOM 106 O GLU p 7 -4.799 12.288 3.800 1.00 0.00 O ATOM 107 CB GLU p 7 -6.444 14.504 5.464 1.00 0.00 C ATOM 108 CG GLU p 7 -7.319 13.288 5.216 1.00 0.00 C ATOM 109 CD GLU p 7 -7.787 12.625 6.496 1.00 0.00 C ATOM 110 OE1 GLU p 7 -8.862 13.008 7.005 1.00 0.00 O ATOM 111 OE2 GLU p 7 -7.079 11.723 6.991 1.00 0.00 O ATOM 0 H GLU p 7 -5.280 16.324 4.232 1.00 0.00 H new ATOM 0 HA GLU p 7 -4.412 13.967 5.777 1.00 0.00 H new ATOM 0 HB2 GLU p 7 -6.425 14.703 6.535 1.00 0.00 H new ATOM 0 HB3 GLU p 7 -6.909 15.367 4.988 1.00 0.00 H new ATOM 0 HG2 GLU p 7 -8.188 13.586 4.629 1.00 0.00 H new ATOM 0 HG3 GLU p 7 -6.764 12.564 4.620 1.00 0.00 H new ATOM 118 N LEU p 8 -4.942 14.220 2.602 1.00 0.00 N ATOM 119 CA LEU p 8 -4.825 13.700 1.261 1.00 0.00 C ATOM 120 C LEU p 8 -3.356 13.806 0.860 1.00 0.00 C ATOM 121 O LEU p 8 -2.894 13.128 -0.054 1.00 0.00 O ATOM 122 CB LEU p 8 -5.746 14.500 0.306 1.00 0.00 C ATOM 123 CG LEU p 8 -5.834 14.039 -1.168 1.00 0.00 C ATOM 124 CD1 LEU p 8 -4.872 14.841 -2.026 1.00 0.00 C ATOM 125 CD2 LEU p 8 -5.551 12.550 -1.305 1.00 0.00 C ATOM 0 H LEU p 8 -5.070 15.232 2.614 1.00 0.00 H new ATOM 0 HA LEU p 8 -5.141 12.658 1.206 1.00 0.00 H new ATOM 0 HB2 LEU p 8 -6.753 14.485 0.722 1.00 0.00 H new ATOM 0 HB3 LEU p 8 -5.414 15.538 0.313 1.00 0.00 H new ATOM 0 HG LEU p 8 -6.852 14.216 -1.514 1.00 0.00 H new ATOM 0 HD11 LEU p 8 -4.943 14.507 -3.061 1.00 0.00 H new ATOM 0 HD12 LEU p 8 -5.128 15.899 -1.967 1.00 0.00 H new ATOM 0 HD13 LEU p 8 -3.854 14.693 -1.666 1.00 0.00 H new ATOM 0 HD21 LEU p 8 -5.622 12.261 -2.354 1.00 0.00 H new ATOM 0 HD22 LEU p 8 -4.548 12.335 -0.936 1.00 0.00 H new ATOM 0 HD23 LEU p 8 -6.280 11.986 -0.724 1.00 0.00 H new ATOM 137 N ALA p 9 -2.658 14.700 1.574 1.00 0.00 N ATOM 138 CA ALA p 9 -1.217 14.908 1.424 1.00 0.00 C ATOM 139 C ALA p 9 -0.540 13.985 2.419 1.00 0.00 C ATOM 140 O ALA p 9 0.647 13.671 2.312 1.00 0.00 O ATOM 141 CB ALA p 9 -0.786 16.349 1.654 1.00 0.00 C ATOM 0 H ALA p 9 -3.085 15.303 2.277 1.00 0.00 H new ATOM 0 HA ALA p 9 -0.929 14.686 0.396 1.00 0.00 H new ATOM 0 HB1 ALA p 9 0.293 16.431 1.527 1.00 0.00 H new ATOM 0 HB2 ALA p 9 -1.286 16.998 0.935 1.00 0.00 H new ATOM 0 HB3 ALA p 9 -1.056 16.653 2.665 1.00 0.00 H new ATOM 147 N GLN p 10 -1.360 13.572 3.400 1.00 0.00 N ATOM 148 CA GLN p 10 -0.985 12.621 4.423 1.00 0.00 C ATOM 149 C GLN p 10 -1.354 11.256 3.880 1.00 0.00 C ATOM 150 O GLN p 10 -0.734 10.265 4.211 1.00 0.00 O ATOM 151 CB GLN p 10 -1.718 12.938 5.732 1.00 0.00 C ATOM 152 CG GLN p 10 -2.053 11.741 6.605 1.00 0.00 C ATOM 153 CD GLN p 10 -1.273 11.720 7.905 1.00 0.00 C ATOM 154 OE1 GLN p 10 -1.712 12.267 8.916 1.00 0.00 O ATOM 155 NE2 GLN p 10 -0.105 11.086 7.883 1.00 0.00 N ATOM 0 H GLN p 10 -2.319 13.906 3.493 1.00 0.00 H new ATOM 0 HA GLN p 10 0.080 12.661 4.653 1.00 0.00 H new ATOM 0 HB2 GLN p 10 -1.105 13.628 6.312 1.00 0.00 H new ATOM 0 HB3 GLN p 10 -2.644 13.460 5.491 1.00 0.00 H new ATOM 0 HG2 GLN p 10 -3.120 11.748 6.828 1.00 0.00 H new ATOM 0 HG3 GLN p 10 -1.849 10.825 6.050 1.00 0.00 H new ATOM 0 HE21 GLN p 10 0.220 10.646 7.022 1.00 0.00 H new ATOM 0 HE22 GLN p 10 0.466 11.039 8.727 1.00 0.00 H new ATOM 164 N ASN p 11 -2.391 11.276 3.027 1.00 0.00 N ATOM 165 CA ASN p 11 -2.898 10.101 2.310 1.00 0.00 C ATOM 166 C ASN p 11 -2.024 9.918 1.092 1.00 0.00 C ATOM 167 O ASN p 11 -2.010 8.860 0.468 1.00 0.00 O ATOM 168 CB ASN p 11 -4.362 10.257 1.885 1.00 0.00 C ATOM 169 CG ASN p 11 -5.109 8.932 1.819 1.00 0.00 C ATOM 170 OD1 ASN p 11 -4.864 8.017 2.608 1.00 0.00 O ATOM 171 ND2 ASN p 11 -6.031 8.823 0.867 1.00 0.00 N ATOM 0 H ASN p 11 -2.909 12.128 2.814 1.00 0.00 H new ATOM 0 HA ASN p 11 -2.864 9.234 2.970 1.00 0.00 H new ATOM 0 HB2 ASN p 11 -4.869 10.919 2.587 1.00 0.00 H new ATOM 0 HB3 ASN p 11 -4.401 10.738 0.908 1.00 0.00 H new ATOM 0 HD21 ASN p 11 -6.565 7.959 0.771 1.00 0.00 H new ATOM 0 HD22 ASN p 11 -6.204 9.603 0.233 1.00 0.00 H new ATOM 178 N GLU p 12 -1.324 11.017 0.767 1.00 0.00 N ATOM 179 CA GLU p 12 -0.350 11.091 -0.275 1.00 0.00 C ATOM 180 C GLU p 12 0.942 10.597 0.338 1.00 0.00 C ATOM 181 O GLU p 12 1.812 10.040 -0.320 1.00 0.00 O ATOM 182 CB GLU p 12 -0.213 12.540 -0.651 1.00 0.00 C ATOM 183 CG GLU p 12 0.782 12.794 -1.728 1.00 0.00 C ATOM 184 CD GLU p 12 0.179 13.403 -2.979 1.00 0.00 C ATOM 185 OE1 GLU p 12 -0.239 12.636 -3.870 1.00 0.00 O ATOM 186 OE2 GLU p 12 0.127 14.648 -3.066 1.00 0.00 O ATOM 0 H GLU p 12 -1.444 11.903 1.258 1.00 0.00 H new ATOM 0 HA GLU p 12 -0.612 10.507 -1.157 1.00 0.00 H new ATOM 0 HB2 GLU p 12 -1.185 12.915 -0.972 1.00 0.00 H new ATOM 0 HB3 GLU p 12 0.071 13.109 0.234 1.00 0.00 H new ATOM 0 HG2 GLU p 12 1.556 13.460 -1.347 1.00 0.00 H new ATOM 0 HG3 GLU p 12 1.270 11.855 -1.990 1.00 0.00 H new ATOM 193 N TRP p 13 1.005 10.906 1.630 1.00 0.00 N ATOM 194 CA TRP p 13 2.091 10.522 2.532 1.00 0.00 C ATOM 195 C TRP p 13 1.874 9.081 2.996 1.00 0.00 C ATOM 196 O TRP p 13 2.813 8.411 3.418 1.00 0.00 O ATOM 197 CB TRP p 13 2.179 11.462 3.736 1.00 0.00 C ATOM 198 CG TRP p 13 3.557 11.548 4.333 1.00 0.00 C ATOM 199 CD1 TRP p 13 4.035 10.820 5.385 1.00 0.00 C ATOM 200 CD2 TRP p 13 4.631 12.406 3.917 1.00 0.00 C ATOM 201 NE1 TRP p 13 5.337 11.170 5.650 1.00 0.00 N ATOM 202 CE2 TRP p 13 5.725 12.141 4.764 1.00 0.00 C ATOM 203 CE3 TRP p 13 4.778 13.372 2.914 1.00 0.00 C ATOM 204 CZ2 TRP p 13 6.943 12.804 4.637 1.00 0.00 C ATOM 205 CZ3 TRP p 13 5.988 14.029 2.790 1.00 0.00 C ATOM 206 CH2 TRP p 13 7.057 13.742 3.648 1.00 0.00 C ATOM 0 H TRP p 13 0.278 11.449 2.095 1.00 0.00 H new ATOM 0 HA TRP p 13 3.034 10.597 1.991 1.00 0.00 H new ATOM 0 HB2 TRP p 13 1.861 12.459 3.432 1.00 0.00 H new ATOM 0 HB3 TRP p 13 1.481 11.124 4.502 1.00 0.00 H new ATOM 0 HD1 TRP p 13 3.471 10.077 5.930 1.00 0.00 H new ATOM 0 HE1 TRP p 13 5.920 10.772 6.386 1.00 0.00 H new ATOM 0 HE3 TRP p 13 3.959 13.600 2.248 1.00 0.00 H new ATOM 0 HZ2 TRP p 13 7.769 12.585 5.297 1.00 0.00 H new ATOM 0 HZ3 TRP p 13 6.111 14.775 2.019 1.00 0.00 H new ATOM 0 HH2 TRP p 13 7.990 14.272 3.526 1.00 0.00 H new ATOM 217 N GLU p 14 0.600 8.648 2.934 1.00 0.00 N ATOM 218 CA GLU p 14 0.201 7.259 3.253 1.00 0.00 C ATOM 219 C GLU p 14 0.312 6.498 1.972 1.00 0.00 C ATOM 220 O GLU p 14 0.425 5.281 1.946 1.00 0.00 O ATOM 221 CB GLU p 14 -1.226 7.123 3.774 1.00 0.00 C ATOM 222 CG GLU p 14 -1.505 8.004 4.957 1.00 0.00 C ATOM 223 CD GLU p 14 -2.116 7.261 6.128 1.00 0.00 C ATOM 224 OE1 GLU p 14 -1.350 6.753 6.974 1.00 0.00 O ATOM 225 OE2 GLU p 14 -3.361 7.189 6.201 1.00 0.00 O ATOM 0 H GLU p 14 -0.180 9.246 2.663 1.00 0.00 H new ATOM 0 HA GLU p 14 0.846 6.888 4.050 1.00 0.00 H new ATOM 0 HB2 GLU p 14 -1.924 7.367 2.973 1.00 0.00 H new ATOM 0 HB3 GLU p 14 -1.409 6.085 4.050 1.00 0.00 H new ATOM 0 HG2 GLU p 14 -0.575 8.473 5.279 1.00 0.00 H new ATOM 0 HG3 GLU p 14 -2.178 8.806 4.653 1.00 0.00 H new ATOM 232 N LEU p 15 0.212 7.297 0.913 1.00 0.00 N ATOM 233 CA LEU p 15 0.380 6.870 -0.462 1.00 0.00 C ATOM 234 C LEU p 15 1.869 6.702 -0.690 1.00 0.00 C ATOM 235 O LEU p 15 2.314 5.789 -1.359 1.00 0.00 O ATOM 236 CB LEU p 15 -0.197 7.927 -1.410 1.00 0.00 C ATOM 237 CG LEU p 15 0.285 7.898 -2.858 1.00 0.00 C ATOM 238 CD1 LEU p 15 -0.101 6.591 -3.507 1.00 0.00 C ATOM 239 CD2 LEU p 15 -0.282 9.086 -3.604 1.00 0.00 C ATOM 0 H LEU p 15 0.005 8.292 0.998 1.00 0.00 H new ATOM 0 HA LEU p 15 -0.145 5.934 -0.654 1.00 0.00 H new ATOM 0 HB2 LEU p 15 -1.282 7.823 -1.412 1.00 0.00 H new ATOM 0 HB3 LEU p 15 0.028 8.911 -0.998 1.00 0.00 H new ATOM 0 HG LEU p 15 1.372 7.969 -2.887 1.00 0.00 H new ATOM 0 HD11 LEU p 15 0.248 6.581 -4.540 1.00 0.00 H new ATOM 0 HD12 LEU p 15 0.356 5.765 -2.962 1.00 0.00 H new ATOM 0 HD13 LEU p 15 -1.185 6.482 -3.489 1.00 0.00 H new ATOM 0 HD21 LEU p 15 0.063 9.065 -4.638 1.00 0.00 H new ATOM 0 HD22 LEU p 15 -1.371 9.043 -3.583 1.00 0.00 H new ATOM 0 HD23 LEU p 15 0.053 10.008 -3.129 1.00 0.00 H new ATOM 251 N GLN p 16 2.592 7.640 -0.087 1.00 0.00 N ATOM 252 CA GLN p 16 4.024 7.718 -0.055 1.00 0.00 C ATOM 253 C GLN p 16 4.518 6.616 0.844 1.00 0.00 C ATOM 254 O GLN p 16 5.588 6.059 0.654 1.00 0.00 O ATOM 255 CB GLN p 16 4.360 9.057 0.544 1.00 0.00 C ATOM 256 CG GLN p 16 5.811 9.371 0.540 1.00 0.00 C ATOM 257 CD GLN p 16 6.173 10.557 -0.332 1.00 0.00 C ATOM 258 OE1 GLN p 16 6.193 11.698 0.130 1.00 0.00 O ATOM 259 NE2 GLN p 16 6.463 10.293 -1.600 1.00 0.00 N ATOM 0 H GLN p 16 2.153 8.408 0.420 1.00 0.00 H new ATOM 0 HA GLN p 16 4.477 7.613 -1.041 1.00 0.00 H new ATOM 0 HB2 GLN p 16 3.829 9.834 -0.006 1.00 0.00 H new ATOM 0 HB3 GLN p 16 3.995 9.087 1.571 1.00 0.00 H new ATOM 0 HG2 GLN p 16 6.134 9.570 1.562 1.00 0.00 H new ATOM 0 HG3 GLN p 16 6.363 8.496 0.196 1.00 0.00 H new ATOM 0 HE21 GLN p 16 6.434 9.332 -1.940 1.00 0.00 H new ATOM 0 HE22 GLN p 16 6.715 11.051 -2.234 1.00 0.00 H new ATOM 268 N ALA p 17 3.695 6.402 1.865 1.00 0.00 N ATOM 269 CA ALA p 17 3.874 5.338 2.853 1.00 0.00 C ATOM 270 C ALA p 17 3.445 4.033 2.215 1.00 0.00 C ATOM 271 O ALA p 17 3.912 2.973 2.594 1.00 0.00 O ATOM 272 CB ALA p 17 3.085 5.588 4.127 1.00 0.00 C ATOM 0 H ALA p 17 2.867 6.974 2.034 1.00 0.00 H new ATOM 0 HA ALA p 17 4.923 5.304 3.146 1.00 0.00 H new ATOM 0 HB1 ALA p 17 3.253 4.769 4.826 1.00 0.00 H new ATOM 0 HB2 ALA p 17 3.412 6.524 4.580 1.00 0.00 H new ATOM 0 HB3 ALA p 17 2.023 5.651 3.891 1.00 0.00 H new ATOM 278 N LEU p 18 2.542 4.176 1.227 1.00 0.00 N ATOM 279 CA LEU p 18 2.025 3.071 0.406 1.00 0.00 C ATOM 280 C LEU p 18 3.055 2.753 -0.635 1.00 0.00 C ATOM 281 O LEU p 18 3.211 1.621 -1.074 1.00 0.00 O ATOM 282 CB LEU p 18 0.761 3.502 -0.301 1.00 0.00 C ATOM 283 CG LEU p 18 -0.445 2.610 -0.148 1.00 0.00 C ATOM 284 CD1 LEU p 18 -0.979 2.719 1.265 1.00 0.00 C ATOM 285 CD2 LEU p 18 -1.467 3.048 -1.164 1.00 0.00 C ATOM 0 H LEU p 18 2.145 5.081 0.974 1.00 0.00 H new ATOM 0 HA LEU p 18 1.813 2.209 1.038 1.00 0.00 H new ATOM 0 HB2 LEU p 18 0.495 4.497 0.057 1.00 0.00 H new ATOM 0 HB3 LEU p 18 0.982 3.594 -1.364 1.00 0.00 H new ATOM 0 HG LEU p 18 -0.191 1.564 -0.320 1.00 0.00 H new ATOM 0 HD11 LEU p 18 -1.851 2.074 1.375 1.00 0.00 H new ATOM 0 HD12 LEU p 18 -0.208 2.410 1.970 1.00 0.00 H new ATOM 0 HD13 LEU p 18 -1.264 3.751 1.468 1.00 0.00 H new ATOM 0 HD21 LEU p 18 -2.355 2.421 -1.080 1.00 0.00 H new ATOM 0 HD22 LEU p 18 -1.738 4.088 -0.982 1.00 0.00 H new ATOM 0 HD23 LEU p 18 -1.048 2.952 -2.166 1.00 0.00 H new ATOM 297 N GLU p 19 3.670 3.844 -1.065 1.00 0.00 N ATOM 298 CA GLU p 19 4.804 3.829 -2.012 1.00 0.00 C ATOM 299 C GLU p 19 6.000 3.345 -1.245 1.00 0.00 C ATOM 300 O GLU p 19 6.921 2.760 -1.794 1.00 0.00 O ATOM 301 CB GLU p 19 5.132 5.204 -2.593 1.00 0.00 C ATOM 302 CG GLU p 19 3.963 5.852 -3.277 1.00 0.00 C ATOM 303 CD GLU p 19 4.242 6.216 -4.722 1.00 0.00 C ATOM 304 OE1 GLU p 19 4.725 7.341 -4.968 1.00 0.00 O ATOM 305 OE2 GLU p 19 3.979 5.376 -5.608 1.00 0.00 O ATOM 0 H GLU p 19 3.402 4.783 -0.770 1.00 0.00 H new ATOM 0 HA GLU p 19 4.538 3.189 -2.853 1.00 0.00 H new ATOM 0 HB2 GLU p 19 5.483 5.855 -1.792 1.00 0.00 H new ATOM 0 HB3 GLU p 19 5.951 5.104 -3.305 1.00 0.00 H new ATOM 0 HG2 GLU p 19 3.108 5.177 -3.238 1.00 0.00 H new ATOM 0 HG3 GLU p 19 3.684 6.752 -2.730 1.00 0.00 H new ATOM 312 N LYS p 20 5.952 3.688 0.044 1.00 0.00 N ATOM 313 CA LYS p 20 6.944 3.267 1.037 1.00 0.00 C ATOM 314 C LYS p 20 6.607 1.861 1.520 1.00 0.00 C ATOM 315 O LYS p 20 7.441 1.183 2.112 1.00 0.00 O ATOM 316 CB LYS p 20 6.990 4.234 2.209 1.00 0.00 C ATOM 317 CG LYS p 20 8.361 4.825 2.476 1.00 0.00 C ATOM 318 CD LYS p 20 8.993 4.235 3.727 1.00 0.00 C ATOM 319 CE LYS p 20 10.357 4.846 4.003 1.00 0.00 C ATOM 320 NZ LYS p 20 10.987 4.273 5.224 1.00 0.00 N ATOM 0 H LYS p 20 5.213 4.274 0.433 1.00 0.00 H new ATOM 0 HA LYS p 20 7.929 3.266 0.571 1.00 0.00 H new ATOM 0 HB2 LYS p 20 6.287 5.046 2.023 1.00 0.00 H new ATOM 0 HB3 LYS p 20 6.649 3.716 3.106 1.00 0.00 H new ATOM 0 HG2 LYS p 20 9.010 4.642 1.619 1.00 0.00 H new ATOM 0 HG3 LYS p 20 8.276 5.906 2.586 1.00 0.00 H new ATOM 0 HD2 LYS p 20 8.338 4.404 4.581 1.00 0.00 H new ATOM 0 HD3 LYS p 20 9.093 3.156 3.611 1.00 0.00 H new ATOM 0 HE2 LYS p 20 11.009 4.679 3.146 1.00 0.00 H new ATOM 0 HE3 LYS p 20 10.254 5.925 4.120 1.00 0.00 H new ATOM 0 HZ1 LYS p 20 11.915 4.717 5.376 1.00 0.00 H new ATOM 0 HZ2 LYS p 20 10.377 4.454 6.047 1.00 0.00 H new ATOM 0 HZ3 LYS p 20 11.109 3.247 5.103 1.00 0.00 H new ATOM 334 N GLU p 21 5.340 1.473 1.278 1.00 0.00 N ATOM 335 CA GLU p 21 4.826 0.134 1.542 1.00 0.00 C ATOM 336 C GLU p 21 5.238 -0.655 0.346 1.00 0.00 C ATOM 337 O GLU p 21 5.632 -1.821 0.406 1.00 0.00 O ATOM 338 CB GLU p 21 3.313 0.118 1.601 1.00 0.00 C ATOM 339 CG GLU p 21 2.730 0.701 2.851 1.00 0.00 C ATOM 340 CD GLU p 21 2.509 -0.325 3.947 1.00 0.00 C ATOM 341 OE1 GLU p 21 1.413 -0.920 3.990 1.00 0.00 O ATOM 342 OE2 GLU p 21 3.433 -0.531 4.761 1.00 0.00 O ATOM 0 H GLU p 21 4.639 2.101 0.886 1.00 0.00 H new ATOM 0 HA GLU p 21 5.199 -0.247 2.493 1.00 0.00 H new ATOM 0 HB2 GLU p 21 2.924 0.667 0.744 1.00 0.00 H new ATOM 0 HB3 GLU p 21 2.970 -0.912 1.502 1.00 0.00 H new ATOM 0 HG2 GLU p 21 3.393 1.482 3.223 1.00 0.00 H new ATOM 0 HG3 GLU p 21 1.779 1.177 2.612 1.00 0.00 H new ATOM 349 N LEU p 22 5.085 0.061 -0.767 1.00 0.00 N ATOM 350 CA LEU p 22 5.505 -0.405 -2.071 1.00 0.00 C ATOM 351 C LEU p 22 7.022 -0.522 -2.036 1.00 0.00 C ATOM 352 O LEU p 22 7.601 -1.504 -2.500 1.00 0.00 O ATOM 353 CB LEU p 22 5.071 0.610 -3.128 1.00 0.00 C ATOM 354 CG LEU p 22 4.909 0.126 -4.569 1.00 0.00 C ATOM 355 CD1 LEU p 22 4.486 1.306 -5.409 1.00 0.00 C ATOM 356 CD2 LEU p 22 6.200 -0.465 -5.110 1.00 0.00 C ATOM 0 H LEU p 22 4.661 0.989 -0.780 1.00 0.00 H new ATOM 0 HA LEU p 22 5.058 -1.368 -2.317 1.00 0.00 H new ATOM 0 HB2 LEU p 22 4.119 1.035 -2.810 1.00 0.00 H new ATOM 0 HB3 LEU p 22 5.798 1.422 -3.129 1.00 0.00 H new ATOM 0 HG LEU p 22 4.158 -0.663 -4.602 1.00 0.00 H new ATOM 0 HD11 LEU p 22 4.362 0.990 -6.445 1.00 0.00 H new ATOM 0 HD12 LEU p 22 3.541 1.699 -5.034 1.00 0.00 H new ATOM 0 HD13 LEU p 22 5.249 2.083 -5.355 1.00 0.00 H new ATOM 0 HD21 LEU p 22 6.046 -0.798 -6.136 1.00 0.00 H new ATOM 0 HD22 LEU p 22 6.984 0.292 -5.088 1.00 0.00 H new ATOM 0 HD23 LEU p 22 6.498 -1.314 -4.494 1.00 0.00 H new ATOM 368 N ALA p 23 7.632 0.516 -1.451 1.00 0.00 N ATOM 369 CA ALA p 23 9.090 0.581 -1.265 1.00 0.00 C ATOM 370 C ALA p 23 9.534 -0.328 -0.119 1.00 0.00 C ATOM 371 O ALA p 23 10.722 -0.589 0.037 1.00 0.00 O ATOM 372 CB ALA p 23 9.572 2.007 -1.025 1.00 0.00 C ATOM 0 H ALA p 23 7.134 1.331 -1.094 1.00 0.00 H new ATOM 0 HA ALA p 23 9.546 0.229 -2.191 1.00 0.00 H new ATOM 0 HB1 ALA p 23 10.654 2.008 -0.893 1.00 0.00 H new ATOM 0 HB2 ALA p 23 9.310 2.628 -1.881 1.00 0.00 H new ATOM 0 HB3 ALA p 23 9.097 2.406 -0.129 1.00 0.00 H new ATOM 378 N GLN p 24 8.548 -0.800 0.669 1.00 0.00 N ATOM 379 CA GLN p 24 8.754 -1.698 1.788 1.00 0.00 C ATOM 380 C GLN p 24 8.956 -3.121 1.262 1.00 0.00 C ATOM 381 O GLN p 24 9.634 -3.932 1.875 1.00 0.00 O ATOM 382 CB GLN p 24 7.524 -1.617 2.690 1.00 0.00 C ATOM 383 CG GLN p 24 7.395 -2.748 3.670 1.00 0.00 C ATOM 384 CD GLN p 24 7.196 -2.283 5.099 1.00 0.00 C ATOM 385 OE1 GLN p 24 8.160 -2.084 5.840 1.00 0.00 O ATOM 386 NE2 GLN p 24 5.941 -2.108 5.495 1.00 0.00 N ATOM 0 H GLN p 24 7.568 -0.553 0.529 1.00 0.00 H new ATOM 0 HA GLN p 24 9.640 -1.419 2.358 1.00 0.00 H new ATOM 0 HB2 GLN p 24 7.554 -0.677 3.241 1.00 0.00 H new ATOM 0 HB3 GLN p 24 6.632 -1.591 2.065 1.00 0.00 H new ATOM 0 HG2 GLN p 24 6.554 -3.377 3.379 1.00 0.00 H new ATOM 0 HG3 GLN p 24 8.290 -3.368 3.618 1.00 0.00 H new ATOM 0 HE21 GLN p 24 5.173 -2.285 4.848 1.00 0.00 H new ATOM 0 HE22 GLN p 24 5.745 -1.797 6.446 1.00 0.00 H new ATOM 395 N LEU p 25 8.363 -3.350 0.092 1.00 0.00 N ATOM 396 CA LEU p 25 8.400 -4.612 -0.641 1.00 0.00 C ATOM 397 C LEU p 25 9.741 -4.720 -1.305 1.00 0.00 C ATOM 398 O LEU p 25 10.396 -5.732 -1.256 1.00 0.00 O ATOM 399 CB LEU p 25 7.277 -4.626 -1.704 1.00 0.00 C ATOM 400 CG LEU p 25 6.014 -5.426 -1.363 1.00 0.00 C ATOM 401 CD1 LEU p 25 6.373 -6.874 -1.107 1.00 0.00 C ATOM 402 CD2 LEU p 25 5.292 -4.814 -0.170 1.00 0.00 C ATOM 0 H LEU p 25 7.822 -2.632 -0.390 1.00 0.00 H new ATOM 0 HA LEU p 25 8.247 -5.454 0.034 1.00 0.00 H new ATOM 0 HB2 LEU p 25 6.983 -3.595 -1.902 1.00 0.00 H new ATOM 0 HB3 LEU p 25 7.691 -5.023 -2.631 1.00 0.00 H new ATOM 0 HG LEU p 25 5.332 -5.388 -2.212 1.00 0.00 H new ATOM 0 HD11 LEU p 25 5.470 -7.435 -0.865 1.00 0.00 H new ATOM 0 HD12 LEU p 25 6.836 -7.297 -1.998 1.00 0.00 H new ATOM 0 HD13 LEU p 25 7.072 -6.934 -0.272 1.00 0.00 H new ATOM 0 HD21 LEU p 25 4.399 -5.398 0.054 1.00 0.00 H new ATOM 0 HD22 LEU p 25 5.954 -4.816 0.696 1.00 0.00 H new ATOM 0 HD23 LEU p 25 5.006 -3.789 -0.405 1.00 0.00 H new ATOM 414 N GLU p 26 10.087 -3.606 -1.918 1.00 0.00 N ATOM 415 CA GLU p 26 11.365 -3.339 -2.569 1.00 0.00 C ATOM 416 C GLU p 26 12.406 -3.233 -1.474 1.00 0.00 C ATOM 417 O GLU p 26 13.602 -3.305 -1.691 1.00 0.00 O ATOM 418 CB GLU p 26 11.278 -2.034 -3.351 1.00 0.00 C ATOM 419 CG GLU p 26 10.013 -1.915 -4.174 1.00 0.00 C ATOM 420 CD GLU p 26 10.277 -1.516 -5.613 1.00 0.00 C ATOM 421 OE1 GLU p 26 10.307 -0.301 -5.897 1.00 0.00 O ATOM 422 OE2 GLU p 26 10.455 -2.420 -6.456 1.00 0.00 O ATOM 0 H GLU p 26 9.449 -2.812 -1.982 1.00 0.00 H new ATOM 0 HA GLU p 26 11.627 -4.132 -3.269 1.00 0.00 H new ATOM 0 HB2 GLU p 26 11.331 -1.197 -2.655 1.00 0.00 H new ATOM 0 HB3 GLU p 26 12.142 -1.955 -4.011 1.00 0.00 H new ATOM 0 HG2 GLU p 26 9.485 -2.868 -4.158 1.00 0.00 H new ATOM 0 HG3 GLU p 26 9.355 -1.178 -3.714 1.00 0.00 H new ATOM 429 N LYS p 27 11.887 -2.977 -0.290 1.00 0.00 N ATOM 430 CA LYS p 27 12.706 -2.968 0.930 1.00 0.00 C ATOM 431 C LYS p 27 12.848 -4.411 1.388 1.00 0.00 C ATOM 432 O LYS p 27 13.806 -4.779 2.074 1.00 0.00 O ATOM 433 CB LYS p 27 12.106 -2.119 2.045 1.00 0.00 C ATOM 434 CG LYS p 27 12.762 -0.752 2.206 1.00 0.00 C ATOM 435 CD LYS p 27 13.885 -0.782 3.234 1.00 0.00 C ATOM 436 CE LYS p 27 14.523 0.588 3.401 1.00 0.00 C ATOM 437 NZ LYS p 27 15.613 0.574 4.415 1.00 0.00 N ATOM 0 H LYS p 27 10.900 -2.771 -0.135 1.00 0.00 H new ATOM 0 HA LYS p 27 13.673 -2.519 0.702 1.00 0.00 H new ATOM 0 HB2 LYS p 27 11.043 -1.979 1.849 1.00 0.00 H new ATOM 0 HB3 LYS p 27 12.188 -2.663 2.986 1.00 0.00 H new ATOM 0 HG2 LYS p 27 13.157 -0.423 1.245 1.00 0.00 H new ATOM 0 HG3 LYS p 27 12.011 -0.022 2.509 1.00 0.00 H new ATOM 0 HD2 LYS p 27 13.493 -1.122 4.193 1.00 0.00 H new ATOM 0 HD3 LYS p 27 14.643 -1.503 2.926 1.00 0.00 H new ATOM 0 HE2 LYS p 27 14.923 0.921 2.443 1.00 0.00 H new ATOM 0 HE3 LYS p 27 13.761 1.309 3.697 1.00 0.00 H new ATOM 0 HZ1 LYS p 27 16.022 1.527 4.499 1.00 0.00 H new ATOM 0 HZ2 LYS p 27 15.227 0.281 5.335 1.00 0.00 H new ATOM 0 HZ3 LYS p 27 16.353 -0.095 4.120 1.00 0.00 H new ATOM 451 N GLU p 28 11.846 -5.211 1.000 1.00 0.00 N ATOM 452 CA GLU p 28 11.851 -6.662 1.274 1.00 0.00 C ATOM 453 C GLU p 28 12.438 -7.394 0.083 1.00 0.00 C ATOM 454 O GLU p 28 13.174 -8.373 0.225 1.00 0.00 O ATOM 455 CB GLU p 28 10.444 -7.221 1.514 1.00 0.00 C ATOM 456 CG GLU p 28 9.656 -6.474 2.555 1.00 0.00 C ATOM 457 CD GLU p 28 9.341 -7.312 3.778 1.00 0.00 C ATOM 458 OE1 GLU p 28 8.282 -7.973 3.787 1.00 0.00 O ATOM 459 OE2 GLU p 28 10.154 -7.307 4.727 1.00 0.00 O ATOM 0 H GLU p 28 11.022 -4.883 0.496 1.00 0.00 H new ATOM 0 HA GLU p 28 12.443 -6.812 2.177 1.00 0.00 H new ATOM 0 HB2 GLU p 28 9.892 -7.203 0.574 1.00 0.00 H new ATOM 0 HB3 GLU p 28 10.526 -8.265 1.816 1.00 0.00 H new ATOM 0 HG2 GLU p 28 10.216 -5.591 2.862 1.00 0.00 H new ATOM 0 HG3 GLU p 28 8.724 -6.122 2.113 1.00 0.00 H new ATOM 466 N LEU p 29 12.077 -6.882 -1.087 1.00 0.00 N ATOM 467 CA LEU p 29 12.510 -7.450 -2.374 1.00 0.00 C ATOM 468 C LEU p 29 13.837 -6.906 -2.859 1.00 0.00 C ATOM 469 O LEU p 29 14.764 -7.671 -3.139 1.00 0.00 O ATOM 470 CB LEU p 29 11.464 -7.178 -3.455 1.00 0.00 C ATOM 471 CG LEU p 29 10.376 -8.227 -3.657 1.00 0.00 C ATOM 472 CD1 LEU p 29 9.486 -8.352 -2.427 1.00 0.00 C ATOM 473 CD2 LEU p 29 9.563 -7.829 -4.867 1.00 0.00 C ATOM 0 H LEU p 29 11.477 -6.062 -1.179 1.00 0.00 H new ATOM 0 HA LEU p 29 12.628 -8.519 -2.197 1.00 0.00 H new ATOM 0 HB2 LEU p 29 10.979 -6.230 -3.224 1.00 0.00 H new ATOM 0 HB3 LEU p 29 11.985 -7.046 -4.403 1.00 0.00 H new ATOM 0 HG LEU p 29 10.835 -9.203 -3.813 1.00 0.00 H new ATOM 0 HD11 LEU p 29 8.722 -9.108 -2.606 1.00 0.00 H new ATOM 0 HD12 LEU p 29 10.091 -8.644 -1.568 1.00 0.00 H new ATOM 0 HD13 LEU p 29 9.008 -7.394 -2.225 1.00 0.00 H new ATOM 0 HD21 LEU p 29 8.776 -8.564 -5.034 1.00 0.00 H new ATOM 0 HD22 LEU p 29 9.115 -6.850 -4.698 1.00 0.00 H new ATOM 0 HD23 LEU p 29 10.211 -7.786 -5.742 1.00 0.00 H new ATOM 791 N GLN p 51 1.980 -16.877 -4.218 1.00 0.00 N ATOM 792 CA GLN p 51 1.516 -15.696 -4.962 1.00 0.00 C ATOM 793 C GLN p 51 0.827 -14.694 -4.022 1.00 0.00 C ATOM 794 O GLN p 51 0.520 -13.568 -4.418 1.00 0.00 O ATOM 795 CB GLN p 51 0.555 -16.113 -6.083 1.00 0.00 C ATOM 796 CG GLN p 51 1.240 -16.796 -7.257 1.00 0.00 C ATOM 797 CD GLN p 51 0.270 -17.174 -8.359 1.00 0.00 C ATOM 798 OE1 GLN p 51 -0.292 -18.268 -8.358 1.00 0.00 O ATOM 799 NE2 GLN p 51 0.072 -16.268 -9.309 1.00 0.00 N ATOM 0 HA GLN p 51 2.386 -15.212 -5.405 1.00 0.00 H new ATOM 0 HB2 GLN p 51 -0.198 -16.786 -5.672 1.00 0.00 H new ATOM 0 HB3 GLN p 51 0.029 -15.230 -6.445 1.00 0.00 H new ATOM 0 HG2 GLN p 51 2.004 -16.133 -7.663 1.00 0.00 H new ATOM 0 HG3 GLN p 51 1.750 -17.692 -6.904 1.00 0.00 H new ATOM 0 HE21 GLN p 51 0.560 -15.373 -9.270 1.00 0.00 H new ATOM 0 HE22 GLN p 51 -0.568 -16.467 -10.078 1.00 0.00 H new ATOM 808 N ALA p 52 0.608 -15.136 -2.769 1.00 0.00 N ATOM 809 CA ALA p 52 -0.042 -14.353 -1.694 1.00 0.00 C ATOM 810 C ALA p 52 0.560 -12.945 -1.469 1.00 0.00 C ATOM 811 O ALA p 52 0.034 -12.167 -0.680 1.00 0.00 O ATOM 812 CB ALA p 52 0.016 -15.162 -0.404 1.00 0.00 C ATOM 0 H ALA p 52 0.884 -16.070 -2.466 1.00 0.00 H new ATOM 0 HA ALA p 52 -1.070 -14.175 -2.009 1.00 0.00 H new ATOM 0 HB1 ALA p 52 -0.459 -14.600 0.400 1.00 0.00 H new ATOM 0 HB2 ALA p 52 -0.508 -16.108 -0.544 1.00 0.00 H new ATOM 0 HB3 ALA p 52 1.056 -15.358 -0.144 1.00 0.00 H new ATOM 818 N LEU p 53 1.665 -12.651 -2.155 1.00 0.00 N ATOM 819 CA LEU p 53 2.371 -11.389 -2.074 1.00 0.00 C ATOM 820 C LEU p 53 1.867 -10.468 -3.175 1.00 0.00 C ATOM 821 O LEU p 53 1.193 -9.472 -2.916 1.00 0.00 O ATOM 822 CB LEU p 53 3.874 -11.685 -2.222 1.00 0.00 C ATOM 823 CG LEU p 53 4.835 -10.523 -2.012 1.00 0.00 C ATOM 824 CD1 LEU p 53 4.779 -10.045 -0.578 1.00 0.00 C ATOM 825 CD2 LEU p 53 6.233 -10.966 -2.387 1.00 0.00 C ATOM 0 H LEU p 53 2.100 -13.311 -2.800 1.00 0.00 H new ATOM 0 HA LEU p 53 2.199 -10.890 -1.120 1.00 0.00 H new ATOM 0 HB2 LEU p 53 4.135 -12.472 -1.514 1.00 0.00 H new ATOM 0 HB3 LEU p 53 4.043 -12.087 -3.221 1.00 0.00 H new ATOM 0 HG LEU p 53 4.546 -9.686 -2.648 1.00 0.00 H new ATOM 0 HD11 LEU p 53 5.472 -9.214 -0.444 1.00 0.00 H new ATOM 0 HD12 LEU p 53 3.767 -9.715 -0.344 1.00 0.00 H new ATOM 0 HD13 LEU p 53 5.058 -10.861 0.089 1.00 0.00 H new ATOM 0 HD21 LEU p 53 6.928 -10.140 -2.240 1.00 0.00 H new ATOM 0 HD22 LEU p 53 6.529 -11.806 -1.759 1.00 0.00 H new ATOM 0 HD23 LEU p 53 6.249 -11.272 -3.433 1.00 0.00 H new ATOM 837 N LYS p 54 2.189 -10.855 -4.408 1.00 0.00 N ATOM 838 CA LYS p 54 1.760 -10.145 -5.630 1.00 0.00 C ATOM 839 C LYS p 54 0.224 -10.092 -5.722 1.00 0.00 C ATOM 840 O LYS p 54 -0.339 -9.375 -6.548 1.00 0.00 O ATOM 841 CB LYS p 54 2.330 -10.835 -6.874 1.00 0.00 C ATOM 842 CG LYS p 54 3.821 -10.607 -7.075 1.00 0.00 C ATOM 843 CD LYS p 54 4.326 -11.289 -8.336 1.00 0.00 C ATOM 844 CE LYS p 54 5.812 -11.047 -8.544 1.00 0.00 C ATOM 845 NZ LYS p 54 6.315 -11.709 -9.779 1.00 0.00 N ATOM 0 H LYS p 54 2.761 -11.678 -4.598 1.00 0.00 H new ATOM 0 HA LYS p 54 2.141 -9.125 -5.580 1.00 0.00 H new ATOM 0 HB2 LYS p 54 2.142 -11.906 -6.802 1.00 0.00 H new ATOM 0 HB3 LYS p 54 1.795 -10.477 -7.754 1.00 0.00 H new ATOM 0 HG2 LYS p 54 4.021 -9.537 -7.134 1.00 0.00 H new ATOM 0 HG3 LYS p 54 4.367 -10.987 -6.212 1.00 0.00 H new ATOM 0 HD2 LYS p 54 4.136 -12.360 -8.272 1.00 0.00 H new ATOM 0 HD3 LYS p 54 3.772 -10.918 -9.198 1.00 0.00 H new ATOM 0 HE2 LYS p 54 6.000 -9.975 -8.604 1.00 0.00 H new ATOM 0 HE3 LYS p 54 6.365 -11.420 -7.682 1.00 0.00 H new ATOM 0 HZ1 LYS p 54 7.332 -11.520 -9.885 1.00 0.00 H new ATOM 0 HZ2 LYS p 54 6.159 -12.735 -9.711 1.00 0.00 H new ATOM 0 HZ3 LYS p 54 5.806 -11.335 -10.605 1.00 0.00 H new ATOM 859 N LYS p 55 -0.413 -10.882 -4.848 1.00 0.00 N ATOM 860 CA LYS p 55 -1.846 -10.992 -4.715 1.00 0.00 C ATOM 861 C LYS p 55 -2.316 -10.059 -3.618 1.00 0.00 C ATOM 862 O LYS p 55 -3.359 -9.425 -3.743 1.00 0.00 O ATOM 863 CB LYS p 55 -2.231 -12.430 -4.398 1.00 0.00 C ATOM 864 CG LYS p 55 -2.397 -13.299 -5.631 1.00 0.00 C ATOM 865 CD LYS p 55 -3.000 -14.651 -5.285 1.00 0.00 C ATOM 866 CE LYS p 55 -3.161 -15.521 -6.520 1.00 0.00 C ATOM 867 NZ LYS p 55 -3.757 -16.846 -6.193 1.00 0.00 N ATOM 0 H LYS p 55 0.090 -11.481 -4.193 1.00 0.00 H new ATOM 0 HA LYS p 55 -2.325 -10.710 -5.652 1.00 0.00 H new ATOM 0 HB2 LYS p 55 -1.468 -12.868 -3.755 1.00 0.00 H new ATOM 0 HB3 LYS p 55 -3.164 -12.432 -3.834 1.00 0.00 H new ATOM 0 HG2 LYS p 55 -3.035 -12.789 -6.353 1.00 0.00 H new ATOM 0 HG3 LYS p 55 -1.428 -13.444 -6.108 1.00 0.00 H new ATOM 0 HD2 LYS p 55 -2.364 -15.160 -4.561 1.00 0.00 H new ATOM 0 HD3 LYS p 55 -3.971 -14.507 -4.811 1.00 0.00 H new ATOM 0 HE2 LYS p 55 -3.793 -15.008 -7.245 1.00 0.00 H new ATOM 0 HE3 LYS p 55 -2.189 -15.667 -6.991 1.00 0.00 H new ATOM 0 HZ1 LYS p 55 -3.850 -17.409 -7.063 1.00 0.00 H new ATOM 0 HZ2 LYS p 55 -3.142 -17.347 -5.520 1.00 0.00 H new ATOM 0 HZ3 LYS p 55 -4.696 -16.709 -5.767 1.00 0.00 H new ATOM 881 N LYS p 56 -1.525 -10.002 -2.529 1.00 0.00 N ATOM 882 CA LYS p 56 -1.809 -9.082 -1.398 1.00 0.00 C ATOM 883 C LYS p 56 -1.483 -7.639 -1.812 1.00 0.00 C ATOM 884 O LYS p 56 -1.849 -6.669 -1.144 1.00 0.00 O ATOM 885 CB LYS p 56 -1.004 -9.455 -0.157 1.00 0.00 C ATOM 886 CG LYS p 56 -1.744 -10.386 0.787 1.00 0.00 C ATOM 887 CD LYS p 56 -1.008 -10.541 2.108 1.00 0.00 C ATOM 888 CE LYS p 56 -1.742 -11.485 3.047 1.00 0.00 C ATOM 889 NZ LYS p 56 -1.025 -11.652 4.341 1.00 0.00 N ATOM 0 H LYS p 56 -0.690 -10.575 -2.404 1.00 0.00 H new ATOM 0 HA LYS p 56 -2.867 -9.168 -1.151 1.00 0.00 H new ATOM 0 HB2 LYS p 56 -0.073 -9.929 -0.467 1.00 0.00 H new ATOM 0 HB3 LYS p 56 -0.735 -8.545 0.379 1.00 0.00 H new ATOM 0 HG2 LYS p 56 -2.746 -9.998 0.971 1.00 0.00 H new ATOM 0 HG3 LYS p 56 -1.862 -11.363 0.318 1.00 0.00 H new ATOM 0 HD2 LYS p 56 -0.002 -10.919 1.923 1.00 0.00 H new ATOM 0 HD3 LYS p 56 -0.900 -9.566 2.582 1.00 0.00 H new ATOM 0 HE2 LYS p 56 -2.745 -11.102 3.235 1.00 0.00 H new ATOM 0 HE3 LYS p 56 -1.856 -12.457 2.568 1.00 0.00 H new ATOM 0 HZ1 LYS p 56 -1.558 -12.303 4.952 1.00 0.00 H new ATOM 0 HZ2 LYS p 56 -0.077 -12.041 4.165 1.00 0.00 H new ATOM 0 HZ3 LYS p 56 -0.938 -10.729 4.811 1.00 0.00 H new ATOM 903 N LEU p 57 -0.778 -7.564 -2.938 1.00 0.00 N ATOM 904 CA LEU p 57 -0.356 -6.350 -3.601 1.00 0.00 C ATOM 905 C LEU p 57 -1.409 -6.029 -4.622 1.00 0.00 C ATOM 906 O LEU p 57 -1.816 -4.884 -4.795 1.00 0.00 O ATOM 907 CB LEU p 57 0.974 -6.585 -4.303 1.00 0.00 C ATOM 908 CG LEU p 57 2.240 -6.122 -3.585 1.00 0.00 C ATOM 909 CD1 LEU p 57 2.444 -6.867 -2.271 1.00 0.00 C ATOM 910 CD2 LEU p 57 3.410 -6.346 -4.513 1.00 0.00 C ATOM 0 H LEU p 57 -0.472 -8.401 -3.434 1.00 0.00 H new ATOM 0 HA LEU p 57 -0.231 -5.535 -2.888 1.00 0.00 H new ATOM 0 HB2 LEU p 57 1.068 -7.654 -4.496 1.00 0.00 H new ATOM 0 HB3 LEU p 57 0.936 -6.088 -5.272 1.00 0.00 H new ATOM 0 HG LEU p 57 2.150 -5.065 -3.335 1.00 0.00 H new ATOM 0 HD11 LEU p 57 3.354 -6.511 -1.788 1.00 0.00 H new ATOM 0 HD12 LEU p 57 1.592 -6.688 -1.615 1.00 0.00 H new ATOM 0 HD13 LEU p 57 2.532 -7.935 -2.468 1.00 0.00 H new ATOM 0 HD21 LEU p 57 4.329 -6.023 -4.024 1.00 0.00 H new ATOM 0 HD22 LEU p 57 3.482 -7.406 -4.758 1.00 0.00 H new ATOM 0 HD23 LEU p 57 3.264 -5.771 -5.428 1.00 0.00 H new ATOM 922 N ALA p 58 -1.816 -7.105 -5.314 1.00 0.00 N ATOM 923 CA ALA p 58 -2.905 -7.042 -6.312 1.00 0.00 C ATOM 924 C ALA p 58 -4.234 -6.722 -5.615 1.00 0.00 C ATOM 925 O ALA p 58 -5.206 -6.302 -6.248 1.00 0.00 O ATOM 926 CB ALA p 58 -3.023 -8.345 -7.088 1.00 0.00 C ATOM 0 H ALA p 58 -1.408 -8.033 -5.203 1.00 0.00 H new ATOM 0 HA ALA p 58 -2.667 -6.250 -7.022 1.00 0.00 H new ATOM 0 HB1 ALA p 58 -3.833 -8.265 -7.813 1.00 0.00 H new ATOM 0 HB2 ALA p 58 -2.087 -8.544 -7.610 1.00 0.00 H new ATOM 0 HB3 ALA p 58 -3.234 -9.162 -6.398 1.00 0.00 H new ATOM 932 N GLN p 59 -4.230 -6.941 -4.295 1.00 0.00 N ATOM 933 CA GLN p 59 -5.337 -6.676 -3.415 1.00 0.00 C ATOM 934 C GLN p 59 -5.142 -5.287 -2.809 1.00 0.00 C ATOM 935 O GLN p 59 -6.094 -4.643 -2.387 1.00 0.00 O ATOM 936 CB GLN p 59 -5.345 -7.764 -2.339 1.00 0.00 C ATOM 937 CG GLN p 59 -6.120 -7.414 -1.093 1.00 0.00 C ATOM 938 CD GLN p 59 -7.146 -8.463 -0.714 1.00 0.00 C ATOM 939 OE1 GLN p 59 -8.300 -8.402 -1.140 1.00 0.00 O ATOM 940 NE2 GLN p 59 -6.730 -9.434 0.090 1.00 0.00 N ATOM 0 H GLN p 59 -3.419 -7.322 -3.808 1.00 0.00 H new ATOM 0 HA GLN p 59 -6.293 -6.691 -3.938 1.00 0.00 H new ATOM 0 HB2 GLN p 59 -5.763 -8.675 -2.766 1.00 0.00 H new ATOM 0 HB3 GLN p 59 -4.315 -7.987 -2.059 1.00 0.00 H new ATOM 0 HG2 GLN p 59 -5.424 -7.280 -0.265 1.00 0.00 H new ATOM 0 HG3 GLN p 59 -6.624 -6.459 -1.243 1.00 0.00 H new ATOM 0 HE21 GLN p 59 -5.765 -9.445 0.419 1.00 0.00 H new ATOM 0 HE22 GLN p 59 -7.376 -10.169 0.379 1.00 0.00 H new ATOM 949 N LEU p 60 -3.872 -4.878 -2.771 1.00 0.00 N ATOM 950 CA LEU p 60 -3.439 -3.573 -2.264 1.00 0.00 C ATOM 951 C LEU p 60 -3.508 -2.535 -3.396 1.00 0.00 C ATOM 952 O LEU p 60 -3.431 -1.331 -3.172 1.00 0.00 O ATOM 953 CB LEU p 60 -2.003 -3.687 -1.711 1.00 0.00 C ATOM 954 CG LEU p 60 -1.436 -2.467 -0.953 1.00 0.00 C ATOM 955 CD1 LEU p 60 -0.634 -1.601 -1.906 1.00 0.00 C ATOM 956 CD2 LEU p 60 -2.545 -1.652 -0.302 1.00 0.00 C ATOM 0 H LEU p 60 -3.099 -5.457 -3.099 1.00 0.00 H new ATOM 0 HA LEU p 60 -4.097 -3.251 -1.457 1.00 0.00 H new ATOM 0 HB2 LEU p 60 -1.967 -4.546 -1.042 1.00 0.00 H new ATOM 0 HB3 LEU p 60 -1.337 -3.905 -2.546 1.00 0.00 H new ATOM 0 HG LEU p 60 -0.784 -2.830 -0.158 1.00 0.00 H new ATOM 0 HD11 LEU p 60 -0.235 -0.741 -1.368 1.00 0.00 H new ATOM 0 HD12 LEU p 60 0.189 -2.183 -2.321 1.00 0.00 H new ATOM 0 HD13 LEU p 60 -1.279 -1.256 -2.714 1.00 0.00 H new ATOM 0 HD21 LEU p 60 -2.111 -0.801 0.223 1.00 0.00 H new ATOM 0 HD22 LEU p 60 -3.231 -1.293 -1.069 1.00 0.00 H new ATOM 0 HD23 LEU p 60 -3.088 -2.277 0.407 1.00 0.00 H new ATOM 968 N LYS p 61 -3.634 -3.077 -4.597 1.00 0.00 N ATOM 969 CA LYS p 61 -3.757 -2.359 -5.854 1.00 0.00 C ATOM 970 C LYS p 61 -5.236 -2.254 -6.146 1.00 0.00 C ATOM 971 O LYS p 61 -5.719 -1.298 -6.760 1.00 0.00 O ATOM 972 CB LYS p 61 -3.032 -3.130 -6.959 1.00 0.00 C ATOM 973 CG LYS p 61 -1.669 -2.558 -7.322 1.00 0.00 C ATOM 974 CD LYS p 61 -1.757 -1.591 -8.494 1.00 0.00 C ATOM 975 CE LYS p 61 -0.397 -1.004 -8.833 1.00 0.00 C ATOM 976 NZ LYS p 61 -0.470 -0.068 -9.989 1.00 0.00 N ATOM 0 H LYS p 61 -3.654 -4.088 -4.727 1.00 0.00 H new ATOM 0 HA LYS p 61 -3.308 -1.367 -5.800 1.00 0.00 H new ATOM 0 HB2 LYS p 61 -2.907 -4.166 -6.643 1.00 0.00 H new ATOM 0 HB3 LYS p 61 -3.659 -3.142 -7.851 1.00 0.00 H new ATOM 0 HG2 LYS p 61 -1.248 -2.044 -6.458 1.00 0.00 H new ATOM 0 HG3 LYS p 61 -0.988 -3.372 -7.572 1.00 0.00 H new ATOM 0 HD2 LYS p 61 -2.159 -2.109 -9.365 1.00 0.00 H new ATOM 0 HD3 LYS p 61 -2.452 -0.787 -8.252 1.00 0.00 H new ATOM 0 HE2 LYS p 61 -0.002 -0.478 -7.964 1.00 0.00 H new ATOM 0 HE3 LYS p 61 0.300 -1.810 -9.062 1.00 0.00 H new ATOM 0 HZ1 LYS p 61 0.478 0.311 -10.189 1.00 0.00 H new ATOM 0 HZ2 LYS p 61 -0.823 -0.576 -10.825 1.00 0.00 H new ATOM 0 HZ3 LYS p 61 -1.115 0.715 -9.761 1.00 0.00 H new ATOM 990 N TRP p 62 -5.932 -3.294 -5.671 1.00 0.00 N ATOM 991 CA TRP p 62 -7.377 -3.398 -5.741 1.00 0.00 C ATOM 992 C TRP p 62 -7.940 -2.585 -4.595 1.00 0.00 C ATOM 993 O TRP p 62 -9.037 -2.033 -4.685 1.00 0.00 O ATOM 994 CB TRP p 62 -7.828 -4.854 -5.639 1.00 0.00 C ATOM 995 CG TRP p 62 -8.832 -5.244 -6.684 1.00 0.00 C ATOM 996 CD1 TRP p 62 -8.565 -5.807 -7.899 1.00 0.00 C ATOM 997 CD2 TRP p 62 -10.261 -5.103 -6.612 1.00 0.00 C ATOM 998 NE1 TRP p 62 -9.734 -6.025 -8.586 1.00 0.00 N ATOM 999 CE2 TRP p 62 -10.788 -5.602 -7.819 1.00 0.00 C ATOM 1000 CE3 TRP p 62 -11.147 -4.606 -5.647 1.00 0.00 C ATOM 1001 CZ2 TRP p 62 -12.155 -5.618 -8.087 1.00 0.00 C ATOM 1002 CZ3 TRP p 62 -12.503 -4.623 -5.916 1.00 0.00 C ATOM 1003 CH2 TRP p 62 -12.995 -5.126 -7.126 1.00 0.00 C ATOM 0 H TRP p 62 -5.490 -4.096 -5.221 1.00 0.00 H new ATOM 0 HA TRP p 62 -7.738 -3.020 -6.698 1.00 0.00 H new ATOM 0 HB2 TRP p 62 -6.956 -5.503 -5.724 1.00 0.00 H new ATOM 0 HB3 TRP p 62 -8.258 -5.025 -4.652 1.00 0.00 H new ATOM 0 HD1 TRP p 62 -7.578 -6.046 -8.266 1.00 0.00 H new ATOM 0 HE1 TRP p 62 -9.806 -6.436 -9.517 1.00 0.00 H new ATOM 0 HE3 TRP p 62 -10.777 -4.217 -4.710 1.00 0.00 H new ATOM 0 HZ2 TRP p 62 -12.538 -6.005 -9.020 1.00 0.00 H new ATOM 0 HZ3 TRP p 62 -13.195 -4.241 -5.180 1.00 0.00 H new ATOM 0 HH2 TRP p 62 -14.060 -5.126 -7.305 1.00 0.00 H new ATOM 1014 N LYS p 63 -7.148 -2.535 -3.508 1.00 0.00 N ATOM 1015 CA LYS p 63 -7.491 -1.720 -2.328 1.00 0.00 C ATOM 1016 C LYS p 63 -7.017 -0.278 -2.546 1.00 0.00 C ATOM 1017 O LYS p 63 -7.400 0.633 -1.814 1.00 0.00 O ATOM 1018 CB LYS p 63 -6.875 -2.280 -1.045 1.00 0.00 C ATOM 1019 CG LYS p 63 -7.782 -3.247 -0.290 1.00 0.00 C ATOM 1020 CD LYS p 63 -8.722 -2.519 0.665 1.00 0.00 C ATOM 1021 CE LYS p 63 -9.615 -3.486 1.431 1.00 0.00 C ATOM 1022 NZ LYS p 63 -10.682 -4.072 0.569 1.00 0.00 N ATOM 0 H LYS p 63 -6.270 -3.047 -3.422 1.00 0.00 H new ATOM 0 HA LYS p 63 -8.574 -1.745 -2.209 1.00 0.00 H new ATOM 0 HB2 LYS p 63 -5.945 -2.790 -1.294 1.00 0.00 H new ATOM 0 HB3 LYS p 63 -6.617 -1.451 -0.386 1.00 0.00 H new ATOM 0 HG2 LYS p 63 -8.367 -3.827 -1.003 1.00 0.00 H new ATOM 0 HG3 LYS p 63 -7.171 -3.954 0.271 1.00 0.00 H new ATOM 0 HD2 LYS p 63 -8.137 -1.929 1.370 1.00 0.00 H new ATOM 0 HD3 LYS p 63 -9.342 -1.821 0.102 1.00 0.00 H new ATOM 0 HE2 LYS p 63 -9.006 -4.288 1.847 1.00 0.00 H new ATOM 0 HE3 LYS p 63 -10.074 -2.965 2.271 1.00 0.00 H new ATOM 0 HZ1 LYS p 63 -11.265 -4.723 1.133 1.00 0.00 H new ATOM 0 HZ2 LYS p 63 -11.281 -3.310 0.192 1.00 0.00 H new ATOM 0 HZ3 LYS p 63 -10.245 -4.592 -0.219 1.00 0.00 H new ATOM 1036 N LEU p 64 -6.162 -0.121 -3.567 1.00 0.00 N ATOM 1037 CA LEU p 64 -5.587 1.156 -3.994 1.00 0.00 C ATOM 1038 C LEU p 64 -6.564 1.864 -4.919 1.00 0.00 C ATOM 1039 O LEU p 64 -6.696 3.076 -4.912 1.00 0.00 O ATOM 1040 CB LEU p 64 -4.285 0.849 -4.742 1.00 0.00 C ATOM 1041 CG LEU p 64 -3.225 1.943 -4.897 1.00 0.00 C ATOM 1042 CD1 LEU p 64 -2.074 1.352 -5.671 1.00 0.00 C ATOM 1043 CD2 LEU p 64 -3.757 3.167 -5.628 1.00 0.00 C ATOM 0 H LEU p 64 -5.844 -0.907 -4.134 1.00 0.00 H new ATOM 0 HA LEU p 64 -5.389 1.801 -3.138 1.00 0.00 H new ATOM 0 HB2 LEU p 64 -3.812 0.005 -4.240 1.00 0.00 H new ATOM 0 HB3 LEU p 64 -4.556 0.513 -5.743 1.00 0.00 H new ATOM 0 HG LEU p 64 -2.916 2.278 -3.907 1.00 0.00 H new ATOM 0 HD11 LEU p 64 -1.298 2.106 -5.801 1.00 0.00 H new ATOM 0 HD12 LEU p 64 -1.666 0.502 -5.124 1.00 0.00 H new ATOM 0 HD13 LEU p 64 -2.425 1.021 -6.648 1.00 0.00 H new ATOM 0 HD21 LEU p 64 -2.967 3.913 -5.712 1.00 0.00 H new ATOM 0 HD22 LEU p 64 -4.091 2.879 -6.625 1.00 0.00 H new ATOM 0 HD23 LEU p 64 -4.595 3.587 -5.072 1.00 0.00 H new ATOM 1055 N GLN p 65 -7.180 1.031 -5.731 1.00 0.00 N ATOM 1056 CA GLN p 65 -8.212 1.359 -6.688 1.00 0.00 C ATOM 1057 C GLN p 65 -9.519 1.513 -5.915 1.00 0.00 C ATOM 1058 O GLN p 65 -10.490 2.084 -6.394 1.00 0.00 O ATOM 1059 CB GLN p 65 -8.271 0.207 -7.701 1.00 0.00 C ATOM 1060 CG GLN p 65 -9.618 0.006 -8.363 1.00 0.00 C ATOM 1061 CD GLN p 65 -9.525 -0.156 -9.867 1.00 0.00 C ATOM 1062 OE1 GLN p 65 -9.588 0.821 -10.613 1.00 0.00 O ATOM 1063 NE2 GLN p 65 -9.372 -1.395 -10.320 1.00 0.00 N ATOM 0 H GLN p 65 -6.955 0.036 -5.739 1.00 0.00 H new ATOM 0 HA GLN p 65 -8.021 2.287 -7.227 1.00 0.00 H new ATOM 0 HB2 GLN p 65 -7.525 0.386 -8.476 1.00 0.00 H new ATOM 0 HB3 GLN p 65 -7.990 -0.717 -7.195 1.00 0.00 H new ATOM 0 HG2 GLN p 65 -10.097 -0.876 -7.938 1.00 0.00 H new ATOM 0 HG3 GLN p 65 -10.259 0.858 -8.135 1.00 0.00 H new ATOM 0 HE21 GLN p 65 -9.325 -2.175 -9.665 1.00 0.00 H new ATOM 0 HE22 GLN p 65 -9.302 -1.566 -11.323 1.00 0.00 H new ATOM 1072 N ALA p 66 -9.467 0.961 -4.705 1.00 0.00 N ATOM 1073 CA ALA p 66 -10.554 0.994 -3.730 1.00 0.00 C ATOM 1074 C ALA p 66 -10.316 2.175 -2.820 1.00 0.00 C ATOM 1075 O ALA p 66 -11.235 2.688 -2.187 1.00 0.00 O ATOM 1076 CB ALA p 66 -10.638 -0.291 -2.926 1.00 0.00 C ATOM 0 H ALA p 66 -8.643 0.464 -4.366 1.00 0.00 H new ATOM 0 HA ALA p 66 -11.506 1.092 -4.252 1.00 0.00 H new ATOM 0 HB1 ALA p 66 -11.460 -0.221 -2.214 1.00 0.00 H new ATOM 0 HB2 ALA p 66 -10.811 -1.131 -3.599 1.00 0.00 H new ATOM 0 HB3 ALA p 66 -9.703 -0.445 -2.387 1.00 0.00 H new ATOM 1082 N LEU p 67 -9.032 2.574 -2.771 1.00 0.00 N ATOM 1083 CA LEU p 67 -8.574 3.730 -2.035 1.00 0.00 C ATOM 1084 C LEU p 67 -8.764 4.916 -2.960 1.00 0.00 C ATOM 1085 O LEU p 67 -9.110 6.009 -2.535 1.00 0.00 O ATOM 1086 CB LEU p 67 -7.092 3.557 -1.625 1.00 0.00 C ATOM 1087 CG LEU p 67 -6.077 4.503 -2.301 1.00 0.00 C ATOM 1088 CD1 LEU p 67 -6.113 5.877 -1.669 1.00 0.00 C ATOM 1089 CD2 LEU p 67 -4.681 3.938 -2.266 1.00 0.00 C ATOM 0 H LEU p 67 -8.282 2.082 -3.257 1.00 0.00 H new ATOM 0 HA LEU p 67 -9.132 3.870 -1.109 1.00 0.00 H new ATOM 0 HB2 LEU p 67 -7.018 3.692 -0.546 1.00 0.00 H new ATOM 0 HB3 LEU p 67 -6.796 2.530 -1.839 1.00 0.00 H new ATOM 0 HG LEU p 67 -6.369 4.598 -3.347 1.00 0.00 H new ATOM 0 HD11 LEU p 67 -5.389 6.524 -2.164 1.00 0.00 H new ATOM 0 HD12 LEU p 67 -7.111 6.301 -1.777 1.00 0.00 H new ATOM 0 HD13 LEU p 67 -5.865 5.797 -0.611 1.00 0.00 H new ATOM 0 HD21 LEU p 67 -3.995 4.632 -2.751 1.00 0.00 H new ATOM 0 HD22 LEU p 67 -4.375 3.789 -1.231 1.00 0.00 H new ATOM 0 HD23 LEU p 67 -4.662 2.983 -2.791 1.00 0.00 H new ATOM 1101 N LYS p 68 -8.445 4.649 -4.233 1.00 0.00 N ATOM 1102 CA LYS p 68 -8.607 5.599 -5.332 1.00 0.00 C ATOM 1103 C LYS p 68 -10.079 5.722 -5.652 1.00 0.00 C ATOM 1104 O LYS p 68 -10.518 6.741 -6.174 1.00 0.00 O ATOM 1105 CB LYS p 68 -7.819 5.192 -6.576 1.00 0.00 C ATOM 1106 CG LYS p 68 -6.380 5.678 -6.572 1.00 0.00 C ATOM 1107 CD LYS p 68 -5.651 5.269 -7.842 1.00 0.00 C ATOM 1108 CE LYS p 68 -4.240 5.832 -7.881 1.00 0.00 C ATOM 1109 NZ LYS p 68 -3.519 5.436 -9.123 1.00 0.00 N ATOM 0 H LYS p 68 -8.061 3.751 -4.529 1.00 0.00 H new ATOM 0 HA LYS p 68 -8.206 6.562 -5.016 1.00 0.00 H new ATOM 0 HB2 LYS p 68 -7.826 4.105 -6.661 1.00 0.00 H new ATOM 0 HB3 LYS p 68 -8.323 5.584 -7.459 1.00 0.00 H new ATOM 0 HG2 LYS p 68 -6.362 6.763 -6.474 1.00 0.00 H new ATOM 0 HG3 LYS p 68 -5.860 5.271 -5.705 1.00 0.00 H new ATOM 0 HD2 LYS p 68 -5.612 4.182 -7.906 1.00 0.00 H new ATOM 0 HD3 LYS p 68 -6.208 5.619 -8.711 1.00 0.00 H new ATOM 0 HE2 LYS p 68 -4.281 6.919 -7.816 1.00 0.00 H new ATOM 0 HE3 LYS p 68 -3.685 5.481 -7.011 1.00 0.00 H new ATOM 0 HZ1 LYS p 68 -2.561 5.840 -9.112 1.00 0.00 H new ATOM 0 HZ2 LYS p 68 -3.457 4.399 -9.173 1.00 0.00 H new ATOM 0 HZ3 LYS p 68 -4.035 5.793 -9.953 1.00 0.00 H new ATOM 1123 N LYS p 69 -10.821 4.638 -5.361 1.00 0.00 N ATOM 1124 CA LYS p 69 -12.279 4.642 -5.489 1.00 0.00 C ATOM 1125 C LYS p 69 -12.838 5.270 -4.219 1.00 0.00 C ATOM 1126 O LYS p 69 -13.994 5.687 -4.160 1.00 0.00 O ATOM 1127 CB LYS p 69 -12.833 3.234 -5.670 1.00 0.00 C ATOM 1128 CG LYS p 69 -13.358 2.946 -7.069 1.00 0.00 C ATOM 1129 CD LYS p 69 -14.852 3.216 -7.178 1.00 0.00 C ATOM 1130 CE LYS p 69 -15.370 2.919 -8.575 1.00 0.00 C ATOM 1131 NZ LYS p 69 -16.834 3.163 -8.689 1.00 0.00 N ATOM 0 H LYS p 69 -10.431 3.753 -5.037 1.00 0.00 H new ATOM 0 HA LYS p 69 -12.572 5.209 -6.373 1.00 0.00 H new ATOM 0 HB2 LYS p 69 -12.050 2.514 -5.433 1.00 0.00 H new ATOM 0 HB3 LYS p 69 -13.638 3.077 -4.952 1.00 0.00 H new ATOM 0 HG2 LYS p 69 -12.823 3.562 -7.792 1.00 0.00 H new ATOM 0 HG3 LYS p 69 -13.157 1.906 -7.326 1.00 0.00 H new ATOM 0 HD2 LYS p 69 -15.387 2.604 -6.452 1.00 0.00 H new ATOM 0 HD3 LYS p 69 -15.054 4.257 -6.927 1.00 0.00 H new ATOM 0 HE2 LYS p 69 -14.841 3.540 -9.298 1.00 0.00 H new ATOM 0 HE3 LYS p 69 -15.154 1.881 -8.829 1.00 0.00 H new ATOM 0 HZ1 LYS p 69 -17.147 2.949 -9.657 1.00 0.00 H new ATOM 0 HZ2 LYS p 69 -17.341 2.552 -8.018 1.00 0.00 H new ATOM 0 HZ3 LYS p 69 -17.038 4.159 -8.472 1.00 0.00 H new ATOM 1145 N LYS p 70 -11.955 5.300 -3.204 1.00 0.00 N ATOM 1146 CA LYS p 70 -12.215 5.917 -1.912 1.00 0.00 C ATOM 1147 C LYS p 70 -11.720 7.352 -1.976 1.00 0.00 C ATOM 1148 O LYS p 70 -12.156 8.210 -1.215 1.00 0.00 O ATOM 1149 CB LYS p 70 -11.493 5.172 -0.800 1.00 0.00 C ATOM 1150 CG LYS p 70 -12.406 4.356 0.102 1.00 0.00 C ATOM 1151 CD LYS p 70 -12.793 5.125 1.358 1.00 0.00 C ATOM 1152 CE LYS p 70 -13.680 4.294 2.271 1.00 0.00 C ATOM 1153 NZ LYS p 70 -14.062 5.039 3.501 1.00 0.00 N ATOM 0 H LYS p 70 -11.026 4.885 -3.271 1.00 0.00 H new ATOM 0 HA LYS p 70 -13.283 5.884 -1.695 1.00 0.00 H new ATOM 0 HB2 LYS p 70 -10.753 4.507 -1.245 1.00 0.00 H new ATOM 0 HB3 LYS p 70 -10.948 5.893 -0.190 1.00 0.00 H new ATOM 0 HG2 LYS p 70 -13.306 4.079 -0.447 1.00 0.00 H new ATOM 0 HG3 LYS p 70 -11.906 3.429 0.383 1.00 0.00 H new ATOM 0 HD2 LYS p 70 -11.893 5.422 1.896 1.00 0.00 H new ATOM 0 HD3 LYS p 70 -13.314 6.041 1.079 1.00 0.00 H new ATOM 0 HE2 LYS p 70 -14.580 3.998 1.732 1.00 0.00 H new ATOM 0 HE3 LYS p 70 -13.158 3.378 2.549 1.00 0.00 H new ATOM 0 HZ1 LYS p 70 -14.666 4.438 4.097 1.00 0.00 H new ATOM 0 HZ2 LYS p 70 -13.205 5.300 4.029 1.00 0.00 H new ATOM 0 HZ3 LYS p 70 -14.582 5.900 3.238 1.00 0.00 H new ATOM 1167 N ASN p 71 -10.763 7.554 -2.896 1.00 0.00 N ATOM 1168 CA ASN p 71 -10.179 8.864 -3.196 1.00 0.00 C ATOM 1169 C ASN p 71 -11.021 9.508 -4.292 1.00 0.00 C ATOM 1170 O ASN p 71 -10.901 10.695 -4.572 1.00 0.00 O ATOM 1171 CB ASN p 71 -8.721 8.745 -3.648 1.00 0.00 C ATOM 1172 CG ASN p 71 -7.897 9.966 -3.277 1.00 0.00 C ATOM 1173 OD1 ASN p 71 -7.307 10.026 -2.199 1.00 0.00 O ATOM 1174 ND2 ASN p 71 -7.855 10.946 -4.173 1.00 0.00 N ATOM 0 H ASN p 71 -10.370 6.799 -3.458 1.00 0.00 H new ATOM 0 HA ASN p 71 -10.181 9.476 -2.294 1.00 0.00 H new ATOM 0 HB2 ASN p 71 -8.275 7.859 -3.197 1.00 0.00 H new ATOM 0 HB3 ASN p 71 -8.689 8.603 -4.728 1.00 0.00 H new ATOM 0 HD21 ASN p 71 -7.318 11.791 -3.980 1.00 0.00 H new ATOM 0 HD22 ASN p 71 -8.360 10.853 -5.054 1.00 0.00 H new ATOM 1181 N ALA p 72 -11.846 8.648 -4.915 1.00 0.00 N ATOM 1182 CA ALA p 72 -12.816 9.011 -5.941 1.00 0.00 C ATOM 1183 C ALA p 72 -14.112 9.259 -5.210 1.00 0.00 C ATOM 1184 O ALA p 72 -15.011 9.935 -5.698 1.00 0.00 O ATOM 1185 CB ALA p 72 -12.994 7.912 -6.978 1.00 0.00 C ATOM 0 H ALA p 72 -11.849 7.650 -4.705 1.00 0.00 H new ATOM 0 HA ALA p 72 -12.478 9.889 -6.492 1.00 0.00 H new ATOM 0 HB1 ALA p 72 -13.726 8.228 -7.721 1.00 0.00 H new ATOM 0 HB2 ALA p 72 -12.040 7.716 -7.468 1.00 0.00 H new ATOM 0 HB3 ALA p 72 -13.344 7.003 -6.488 1.00 0.00 H new ATOM 1191 N GLN p 73 -14.156 8.648 -4.011 1.00 0.00 N ATOM 1192 CA GLN p 73 -15.217 8.760 -3.064 1.00 0.00 C ATOM 1193 C GLN p 73 -14.950 10.018 -2.270 1.00 0.00 C ATOM 1194 O GLN p 73 -15.855 10.722 -1.842 1.00 0.00 O ATOM 1195 CB GLN p 73 -15.122 7.552 -2.169 1.00 0.00 C ATOM 1196 CG GLN p 73 -16.211 7.457 -1.160 1.00 0.00 C ATOM 1197 CD GLN p 73 -17.121 6.262 -1.361 1.00 0.00 C ATOM 1198 OE1 GLN p 73 -18.125 6.343 -2.069 1.00 0.00 O ATOM 1199 NE2 GLN p 73 -16.774 5.143 -0.735 1.00 0.00 N ATOM 0 H GLN p 73 -13.404 8.040 -3.687 1.00 0.00 H new ATOM 0 HA GLN p 73 -16.205 8.808 -3.522 1.00 0.00 H new ATOM 0 HB2 GLN p 73 -15.134 6.654 -2.786 1.00 0.00 H new ATOM 0 HB3 GLN p 73 -14.163 7.571 -1.652 1.00 0.00 H new ATOM 0 HG2 GLN p 73 -15.769 7.404 -0.165 1.00 0.00 H new ATOM 0 HG3 GLN p 73 -16.808 8.368 -1.195 1.00 0.00 H new ATOM 0 HE21 GLN p 73 -15.933 5.121 -0.158 1.00 0.00 H new ATOM 0 HE22 GLN p 73 -17.348 4.306 -0.831 1.00 0.00 H new ATOM 1208 N LEU p 74 -13.650 10.208 -2.061 1.00 0.00 N ATOM 1209 CA LEU p 74 -13.081 11.372 -1.397 1.00 0.00 C ATOM 1210 C LEU p 74 -13.066 12.520 -2.386 1.00 0.00 C ATOM 1211 O LEU p 74 -13.139 13.664 -2.014 1.00 0.00 O ATOM 1212 CB LEU p 74 -11.667 11.068 -0.915 1.00 0.00 C ATOM 1213 CG LEU p 74 -11.161 11.864 0.288 1.00 0.00 C ATOM 1214 CD1 LEU p 74 -11.758 11.350 1.595 1.00 0.00 C ATOM 1215 CD2 LEU p 74 -9.652 11.773 0.321 1.00 0.00 C ATOM 0 H LEU p 74 -12.944 9.535 -2.359 1.00 0.00 H new ATOM 0 HA LEU p 74 -13.681 11.637 -0.527 1.00 0.00 H new ATOM 0 HB2 LEU p 74 -11.613 10.008 -0.667 1.00 0.00 H new ATOM 0 HB3 LEU p 74 -10.982 11.236 -1.746 1.00 0.00 H new ATOM 0 HG LEU p 74 -11.473 12.903 0.185 1.00 0.00 H new ATOM 0 HD11 LEU p 74 -11.375 11.941 2.427 1.00 0.00 H new ATOM 0 HD12 LEU p 74 -12.844 11.437 1.558 1.00 0.00 H new ATOM 0 HD13 LEU p 74 -11.482 10.305 1.735 1.00 0.00 H new ATOM 0 HD21 LEU p 74 -9.272 12.336 1.174 1.00 0.00 H new ATOM 0 HD22 LEU p 74 -9.352 10.729 0.413 1.00 0.00 H new ATOM 0 HD23 LEU p 74 -9.242 12.189 -0.600 1.00 0.00 H new ATOM 1227 N LYS p 75 -12.990 12.159 -3.664 1.00 0.00 N ATOM 1228 CA LYS p 75 -13.037 13.108 -4.774 1.00 0.00 C ATOM 1229 C LYS p 75 -14.497 13.386 -5.026 1.00 0.00 C ATOM 1230 O LYS p 75 -14.879 14.394 -5.627 1.00 0.00 O ATOM 1231 CB LYS p 75 -12.392 12.525 -6.026 1.00 0.00 C ATOM 1232 CG LYS p 75 -11.221 13.332 -6.565 1.00 0.00 C ATOM 1233 CD LYS p 75 -11.563 13.994 -7.889 1.00 0.00 C ATOM 1234 CE LYS p 75 -10.386 14.786 -8.436 1.00 0.00 C ATOM 1235 NZ LYS p 75 -10.711 15.437 -9.735 1.00 0.00 N ATOM 0 H LYS p 75 -12.893 11.188 -3.962 1.00 0.00 H new ATOM 0 HA LYS p 75 -12.487 14.016 -4.529 1.00 0.00 H new ATOM 0 HB2 LYS p 75 -12.050 11.514 -5.806 1.00 0.00 H new ATOM 0 HB3 LYS p 75 -13.150 12.443 -6.805 1.00 0.00 H new ATOM 0 HG2 LYS p 75 -10.938 14.094 -5.839 1.00 0.00 H new ATOM 0 HG3 LYS p 75 -10.358 12.680 -6.696 1.00 0.00 H new ATOM 0 HD2 LYS p 75 -11.859 13.233 -8.612 1.00 0.00 H new ATOM 0 HD3 LYS p 75 -12.418 14.656 -7.756 1.00 0.00 H new ATOM 0 HE2 LYS p 75 -10.092 15.546 -7.712 1.00 0.00 H new ATOM 0 HE3 LYS p 75 -9.531 14.123 -8.566 1.00 0.00 H new ATOM 0 HZ1 LYS p 75 -9.883 15.967 -10.074 1.00 0.00 H new ATOM 0 HZ2 LYS p 75 -10.967 14.710 -10.433 1.00 0.00 H new ATOM 0 HZ3 LYS p 75 -11.510 16.089 -9.606 1.00 0.00 H new ATOM 1249 N LYS p 76 -15.299 12.433 -4.532 1.00 0.00 N ATOM 1250 CA LYS p 76 -16.750 12.520 -4.588 1.00 0.00 C ATOM 1251 C LYS p 76 -17.221 13.232 -3.341 1.00 0.00 C ATOM 1252 O LYS p 76 -18.229 13.943 -3.351 1.00 0.00 O ATOM 1253 CB LYS p 76 -17.382 11.138 -4.678 1.00 0.00 C ATOM 1254 CG LYS p 76 -17.920 10.787 -6.058 1.00 0.00 C ATOM 1255 CD LYS p 76 -19.403 11.108 -6.182 1.00 0.00 C ATOM 1256 CE LYS p 76 -19.940 10.737 -7.556 1.00 0.00 C ATOM 1257 NZ LYS p 76 -21.394 11.034 -7.681 1.00 0.00 N ATOM 0 H LYS p 76 -14.953 11.584 -4.084 1.00 0.00 H new ATOM 0 HA LYS p 76 -17.050 13.070 -5.480 1.00 0.00 H new ATOM 0 HB2 LYS p 76 -16.641 10.392 -4.389 1.00 0.00 H new ATOM 0 HB3 LYS p 76 -18.196 11.075 -3.956 1.00 0.00 H new ATOM 0 HG2 LYS p 76 -17.364 11.338 -6.816 1.00 0.00 H new ATOM 0 HG3 LYS p 76 -17.760 9.727 -6.252 1.00 0.00 H new ATOM 0 HD2 LYS p 76 -19.959 10.568 -5.415 1.00 0.00 H new ATOM 0 HD3 LYS p 76 -19.563 12.171 -6.003 1.00 0.00 H new ATOM 0 HE2 LYS p 76 -19.390 11.285 -8.321 1.00 0.00 H new ATOM 0 HE3 LYS p 76 -19.769 9.676 -7.739 1.00 0.00 H new ATOM 0 HZ1 LYS p 76 -21.722 10.767 -8.631 1.00 0.00 H new ATOM 0 HZ2 LYS p 76 -21.922 10.492 -6.967 1.00 0.00 H new ATOM 0 HZ3 LYS p 76 -21.555 12.051 -7.532 1.00 0.00 H new ATOM 1271 N LYS p 77 -16.459 13.018 -2.261 1.00 0.00 N ATOM 1272 CA LYS p 77 -16.724 13.674 -0.988 1.00 0.00 C ATOM 1273 C LYS p 77 -16.033 15.031 -0.945 1.00 0.00 C ATOM 1274 O LYS p 77 -16.386 15.892 -0.134 1.00 0.00 O ATOM 1275 CB LYS p 77 -16.256 12.803 0.174 1.00 0.00 C ATOM 1276 CG LYS p 77 -17.381 12.102 0.924 1.00 0.00 C ATOM 1277 CD LYS p 77 -17.890 12.939 2.093 1.00 0.00 C ATOM 1278 CE LYS p 77 -19.003 12.231 2.853 1.00 0.00 C ATOM 1279 NZ LYS p 77 -20.286 12.219 2.093 1.00 0.00 N ATOM 0 H LYS p 77 -15.653 12.393 -2.250 1.00 0.00 H new ATOM 0 HA LYS p 77 -17.799 13.823 -0.892 1.00 0.00 H new ATOM 0 HB2 LYS p 77 -15.565 12.051 -0.206 1.00 0.00 H new ATOM 0 HB3 LYS p 77 -15.698 13.423 0.876 1.00 0.00 H new ATOM 0 HG2 LYS p 77 -18.203 11.898 0.238 1.00 0.00 H new ATOM 0 HG3 LYS p 77 -17.027 11.139 1.293 1.00 0.00 H new ATOM 0 HD2 LYS p 77 -17.065 13.154 2.773 1.00 0.00 H new ATOM 0 HD3 LYS p 77 -18.255 13.897 1.722 1.00 0.00 H new ATOM 0 HE2 LYS p 77 -18.700 11.206 3.066 1.00 0.00 H new ATOM 0 HE3 LYS p 77 -19.156 12.725 3.813 1.00 0.00 H new ATOM 0 HZ1 LYS p 77 -21.014 11.727 2.649 1.00 0.00 H new ATOM 0 HZ2 LYS p 77 -20.591 13.197 1.911 1.00 0.00 H new ATOM 0 HZ3 LYS p 77 -20.149 11.725 1.188 1.00 0.00 H new ATOM 1293 N LEU p 78 -15.038 15.205 -1.835 1.00 0.00 N ATOM 1294 CA LEU p 78 -14.285 16.464 -1.950 1.00 0.00 C ATOM 1295 C LEU p 78 -15.189 17.664 -2.229 1.00 0.00 C ATOM 1296 O LEU p 78 -15.240 18.621 -1.451 1.00 0.00 O ATOM 1297 CB LEU p 78 -13.261 16.339 -3.083 1.00 0.00 C ATOM 1298 CG LEU p 78 -11.789 16.336 -2.675 1.00 0.00 C ATOM 1299 CD1 LEU p 78 -10.929 15.984 -3.873 1.00 0.00 C ATOM 1300 CD2 LEU p 78 -11.386 17.688 -2.117 1.00 0.00 C ATOM 0 H LEU p 78 -14.737 14.482 -2.489 1.00 0.00 H new ATOM 0 HA LEU p 78 -13.792 16.636 -0.993 1.00 0.00 H new ATOM 0 HB2 LEU p 78 -13.466 15.417 -3.628 1.00 0.00 H new ATOM 0 HB3 LEU p 78 -13.420 17.163 -3.779 1.00 0.00 H new ATOM 0 HG LEU p 78 -11.641 15.589 -1.895 1.00 0.00 H new ATOM 0 HD11 LEU p 78 -9.879 15.983 -3.579 1.00 0.00 H new ATOM 0 HD12 LEU p 78 -11.204 14.996 -4.241 1.00 0.00 H new ATOM 0 HD13 LEU p 78 -11.084 16.721 -4.661 1.00 0.00 H new ATOM 0 HD21 LEU p 78 -10.334 17.665 -1.832 1.00 0.00 H new ATOM 0 HD22 LEU p 78 -11.540 18.455 -2.876 1.00 0.00 H new ATOM 0 HD23 LEU p 78 -11.994 17.916 -1.242 1.00 0.00 H new ATOM 1312 N GLN p 79 -15.886 17.577 -3.351 1.00 0.00 N ATOM 1313 CA GLN p 79 -16.817 18.603 -3.811 1.00 0.00 C ATOM 1314 C GLN p 79 -18.191 18.470 -3.155 1.00 0.00 C ATOM 1315 O GLN p 79 -18.808 19.467 -2.768 1.00 0.00 O ATOM 1316 CB GLN p 79 -16.955 18.540 -5.342 1.00 0.00 C ATOM 1317 CG GLN p 79 -16.926 17.135 -5.946 1.00 0.00 C ATOM 1318 CD GLN p 79 -17.077 17.147 -7.456 1.00 0.00 C ATOM 1319 OE1 GLN p 79 -18.189 17.081 -7.980 1.00 0.00 O ATOM 1320 NE2 GLN p 79 -15.955 17.231 -8.162 1.00 0.00 N ATOM 0 H GLN p 79 -15.821 16.778 -3.981 1.00 0.00 H new ATOM 0 HA GLN p 79 -16.408 19.570 -3.519 1.00 0.00 H new ATOM 0 HB2 GLN p 79 -17.892 19.020 -5.625 1.00 0.00 H new ATOM 0 HB3 GLN p 79 -16.150 19.125 -5.787 1.00 0.00 H new ATOM 0 HG2 GLN p 79 -15.987 16.649 -5.682 1.00 0.00 H new ATOM 0 HG3 GLN p 79 -17.727 16.539 -5.509 1.00 0.00 H new ATOM 0 HE21 GLN p 79 -15.055 17.284 -7.685 1.00 0.00 H new ATOM 0 HE22 GLN p 79 -15.993 17.243 -9.181 1.00 0.00 H new ATOM 1329 N ALA p 80 -18.643 17.230 -3.043 1.00 0.00 N ATOM 1330 CA ALA p 80 -19.939 16.913 -2.445 1.00 0.00 C ATOM 1331 C ALA p 80 -19.787 16.488 -0.984 1.00 0.00 C ATOM 1332 O ALA p 80 -20.300 17.212 -0.105 1.00 0.00 O ATOM 1333 CB ALA p 80 -20.646 15.830 -3.254 1.00 0.00 C ATOM 1334 OXT ALA p 80 -19.149 15.443 -0.729 1.00 0.00 O ATOM 0 H ALA p 80 -18.124 16.412 -3.363 1.00 0.00 H new ATOM 0 HA ALA p 80 -20.550 17.815 -2.464 1.00 0.00 H new ATOM 0 HB1 ALA p 80 -21.609 15.605 -2.797 1.00 0.00 H new ATOM 0 HB2 ALA p 80 -20.802 16.181 -4.274 1.00 0.00 H new ATOM 0 HB3 ALA p 80 -20.033 14.929 -3.270 1.00 0.00 H new