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 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: p 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : p 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : p 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : p 11 ASN : 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 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 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 X(o=0,f=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+ -179:sc= 0 (180deg=-0.00235) USER MOD Single : p 79 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 37 N ALA p 3 -5.629 21.678 4.919 1.00 0.00 N ATOM 38 CA ALA p 3 -5.400 20.699 5.985 1.00 0.00 C ATOM 39 C ALA p 3 -6.003 19.362 5.588 1.00 0.00 C ATOM 40 O ALA p 3 -5.677 18.322 6.152 1.00 0.00 O ATOM 41 CB ALA p 3 -6.002 21.190 7.293 1.00 0.00 C ATOM 0 HA ALA p 3 -4.327 20.574 6.131 1.00 0.00 H new ATOM 0 HB1 ALA p 3 -5.824 20.452 8.075 1.00 0.00 H new ATOM 0 HB2 ALA p 3 -5.539 22.136 7.574 1.00 0.00 H new ATOM 0 HB3 ALA p 3 -7.075 21.334 7.168 1.00 0.00 H new ATOM 47 N LEU p 4 -6.907 19.448 4.606 1.00 0.00 N ATOM 48 CA LEU p 4 -7.622 18.320 4.041 1.00 0.00 C ATOM 49 C LEU p 4 -6.829 17.829 2.842 1.00 0.00 C ATOM 50 O LEU p 4 -6.744 16.632 2.563 1.00 0.00 O ATOM 51 CB LEU p 4 -9.056 18.756 3.647 1.00 0.00 C ATOM 52 CG LEU p 4 -10.016 17.660 3.126 1.00 0.00 C ATOM 53 CD1 LEU p 4 -9.947 17.570 1.612 1.00 0.00 C ATOM 54 CD2 LEU p 4 -9.701 16.309 3.749 1.00 0.00 C ATOM 0 H LEU p 4 -7.162 20.337 4.175 1.00 0.00 H new ATOM 0 HA LEU p 4 -7.721 17.509 4.762 1.00 0.00 H new ATOM 0 HB2 LEU p 4 -9.518 19.222 4.518 1.00 0.00 H new ATOM 0 HB3 LEU p 4 -8.975 19.525 2.879 1.00 0.00 H new ATOM 0 HG LEU p 4 -11.029 17.938 3.417 1.00 0.00 H new ATOM 0 HD11 LEU p 4 -10.628 16.794 1.262 1.00 0.00 H new ATOM 0 HD12 LEU p 4 -10.233 18.528 1.177 1.00 0.00 H new ATOM 0 HD13 LEU p 4 -8.930 17.323 1.308 1.00 0.00 H new ATOM 0 HD21 LEU p 4 -10.393 15.560 3.363 1.00 0.00 H new ATOM 0 HD22 LEU p 4 -8.679 16.022 3.499 1.00 0.00 H new ATOM 0 HD23 LEU p 4 -9.805 16.375 4.832 1.00 0.00 H new ATOM 66 N GLU p 5 -6.261 18.813 2.151 1.00 0.00 N ATOM 67 CA GLU p 5 -5.389 18.606 0.993 1.00 0.00 C ATOM 68 C GLU p 5 -4.023 18.202 1.502 1.00 0.00 C ATOM 69 O GLU p 5 -3.233 17.589 0.794 1.00 0.00 O ATOM 70 CB GLU p 5 -5.257 19.878 0.157 1.00 0.00 C ATOM 71 CG GLU p 5 -6.570 20.596 -0.051 1.00 0.00 C ATOM 72 CD GLU p 5 -6.836 20.942 -1.503 1.00 0.00 C ATOM 73 OE1 GLU p 5 -6.411 22.031 -1.942 1.00 0.00 O ATOM 74 OE2 GLU p 5 -7.471 20.123 -2.201 1.00 0.00 O ATOM 0 H GLU p 5 -6.395 19.797 2.383 1.00 0.00 H new ATOM 0 HA GLU p 5 -5.820 17.832 0.358 1.00 0.00 H new ATOM 0 HB2 GLU p 5 -4.555 20.554 0.645 1.00 0.00 H new ATOM 0 HB3 GLU p 5 -4.832 19.624 -0.814 1.00 0.00 H new ATOM 0 HG2 GLU p 5 -7.382 19.971 0.322 1.00 0.00 H new ATOM 0 HG3 GLU p 5 -6.574 21.511 0.541 1.00 0.00 H new ATOM 81 N LYS p 6 -3.785 18.603 2.755 1.00 0.00 N ATOM 82 CA LYS p 6 -2.550 18.282 3.494 1.00 0.00 C ATOM 83 C LYS p 6 -2.720 16.956 4.219 1.00 0.00 C ATOM 84 O LYS p 6 -1.750 16.343 4.650 1.00 0.00 O ATOM 85 CB LYS p 6 -2.190 19.363 4.501 1.00 0.00 C ATOM 86 CG LYS p 6 -0.952 20.160 4.122 1.00 0.00 C ATOM 87 CD LYS p 6 -0.672 21.267 5.126 1.00 0.00 C ATOM 88 CE LYS p 6 0.545 22.087 4.729 1.00 0.00 C ATOM 89 NZ LYS p 6 0.815 23.184 5.698 1.00 0.00 N ATOM 0 H LYS p 6 -4.446 19.164 3.293 1.00 0.00 H new ATOM 0 HA LYS p 6 -1.739 18.218 2.768 1.00 0.00 H new ATOM 0 HB2 LYS p 6 -3.033 20.046 4.606 1.00 0.00 H new ATOM 0 HB3 LYS p 6 -2.031 18.901 5.476 1.00 0.00 H new ATOM 0 HG2 LYS p 6 -0.092 19.493 4.065 1.00 0.00 H new ATOM 0 HG3 LYS p 6 -1.086 20.592 3.130 1.00 0.00 H new ATOM 0 HD2 LYS p 6 -1.542 21.919 5.202 1.00 0.00 H new ATOM 0 HD3 LYS p 6 -0.513 20.832 6.113 1.00 0.00 H new ATOM 0 HE2 LYS p 6 1.417 21.436 4.666 1.00 0.00 H new ATOM 0 HE3 LYS p 6 0.390 22.509 3.736 1.00 0.00 H new ATOM 0 HZ1 LYS p 6 1.652 23.719 5.392 1.00 0.00 H new ATOM 0 HZ2 LYS p 6 -0.007 23.820 5.740 1.00 0.00 H new ATOM 0 HZ3 LYS p 6 0.988 22.780 6.640 1.00 0.00 H new ATOM 103 N GLU p 7 -3.989 16.565 4.357 1.00 0.00 N ATOM 104 CA GLU p 7 -4.408 15.308 4.958 1.00 0.00 C ATOM 105 C GLU p 7 -4.454 14.284 3.832 1.00 0.00 C ATOM 106 O GLU p 7 -4.367 13.080 4.046 1.00 0.00 O ATOM 107 CB GLU p 7 -5.781 15.505 5.608 1.00 0.00 C ATOM 108 CG GLU p 7 -6.652 14.266 5.676 1.00 0.00 C ATOM 109 CD GLU p 7 -7.011 13.872 7.094 1.00 0.00 C ATOM 110 OE1 GLU p 7 -6.249 13.095 7.706 1.00 0.00 O ATOM 111 OE2 GLU p 7 -8.057 14.341 7.593 1.00 0.00 O ATOM 0 H GLU p 7 -4.773 17.136 4.042 1.00 0.00 H new ATOM 0 HA GLU p 7 -3.726 14.966 5.736 1.00 0.00 H new ATOM 0 HB2 GLU p 7 -5.634 15.881 6.620 1.00 0.00 H new ATOM 0 HB3 GLU p 7 -6.318 16.276 5.056 1.00 0.00 H new ATOM 0 HG2 GLU p 7 -7.567 14.441 5.110 1.00 0.00 H new ATOM 0 HG3 GLU p 7 -6.133 13.437 5.195 1.00 0.00 H new ATOM 118 N LEU p 8 -4.622 14.851 2.639 1.00 0.00 N ATOM 119 CA LEU p 8 -4.649 14.154 1.373 1.00 0.00 C ATOM 120 C LEU p 8 -3.229 14.185 0.816 1.00 0.00 C ATOM 121 O LEU p 8 -2.880 13.425 -0.080 1.00 0.00 O ATOM 122 CB LEU p 8 -5.651 14.828 0.408 1.00 0.00 C ATOM 123 CG LEU p 8 -5.897 14.142 -0.955 1.00 0.00 C ATOM 124 CD1 LEU p 8 -4.992 14.747 -2.015 1.00 0.00 C ATOM 125 CD2 LEU p 8 -5.675 12.641 -0.866 1.00 0.00 C ATOM 0 H LEU p 8 -4.748 15.858 2.534 1.00 0.00 H new ATOM 0 HA LEU p 8 -4.980 13.123 1.498 1.00 0.00 H new ATOM 0 HB2 LEU p 8 -6.609 14.911 0.921 1.00 0.00 H new ATOM 0 HB3 LEU p 8 -5.303 15.843 0.216 1.00 0.00 H new ATOM 0 HG LEU p 8 -6.937 14.310 -1.235 1.00 0.00 H new ATOM 0 HD11 LEU p 8 -5.173 14.257 -2.971 1.00 0.00 H new ATOM 0 HD12 LEU p 8 -5.202 15.812 -2.108 1.00 0.00 H new ATOM 0 HD13 LEU p 8 -3.950 14.607 -1.727 1.00 0.00 H new ATOM 0 HD21 LEU p 8 -5.856 12.188 -1.841 1.00 0.00 H new ATOM 0 HD22 LEU p 8 -4.648 12.443 -0.559 1.00 0.00 H new ATOM 0 HD23 LEU p 8 -6.361 12.214 -0.135 1.00 0.00 H new ATOM 137 N ALA p 9 -2.451 15.126 1.368 1.00 0.00 N ATOM 138 CA ALA p 9 -1.029 15.293 1.065 1.00 0.00 C ATOM 139 C ALA p 9 -0.271 14.451 2.072 1.00 0.00 C ATOM 140 O ALA p 9 0.886 14.071 1.871 1.00 0.00 O ATOM 141 CB ALA p 9 -0.568 16.740 1.133 1.00 0.00 C ATOM 0 H ALA p 9 -2.800 15.801 2.048 1.00 0.00 H new ATOM 0 HA ALA p 9 -0.840 14.977 0.039 1.00 0.00 H new ATOM 0 HB1 ALA p 9 0.495 16.795 0.898 1.00 0.00 H new ATOM 0 HB2 ALA p 9 -1.130 17.335 0.413 1.00 0.00 H new ATOM 0 HB3 ALA p 9 -0.738 17.129 2.137 1.00 0.00 H new ATOM 147 N GLN p 10 -0.989 14.178 3.173 1.00 0.00 N ATOM 148 CA GLN p 10 -0.531 13.328 4.246 1.00 0.00 C ATOM 149 C GLN p 10 -0.994 11.927 3.899 1.00 0.00 C ATOM 150 O GLN p 10 -0.352 10.953 4.249 1.00 0.00 O ATOM 151 CB GLN p 10 -1.103 13.819 5.581 1.00 0.00 C ATOM 152 CG GLN p 10 -1.373 12.743 6.620 1.00 0.00 C ATOM 153 CD GLN p 10 -0.449 12.838 7.819 1.00 0.00 C ATOM 154 OE1 GLN p 10 -0.756 13.513 8.802 1.00 0.00 O ATOM 155 NE2 GLN p 10 0.691 12.161 7.743 1.00 0.00 N ATOM 0 H GLN p 10 -1.922 14.558 3.330 1.00 0.00 H new ATOM 0 HA GLN p 10 0.553 13.345 4.357 1.00 0.00 H new ATOM 0 HB2 GLN p 10 -0.409 14.544 6.007 1.00 0.00 H new ATOM 0 HB3 GLN p 10 -2.035 14.348 5.383 1.00 0.00 H new ATOM 0 HG2 GLN p 10 -2.407 12.821 6.957 1.00 0.00 H new ATOM 0 HG3 GLN p 10 -1.261 11.762 6.158 1.00 0.00 H new ATOM 0 HE21 GLN p 10 0.905 11.614 6.909 1.00 0.00 H new ATOM 0 HE22 GLN p 10 1.353 12.188 8.519 1.00 0.00 H new ATOM 164 N ASN p 11 -2.129 11.894 3.179 1.00 0.00 N ATOM 165 CA ASN p 11 -2.745 10.667 2.658 1.00 0.00 C ATOM 166 C ASN p 11 -2.028 10.330 1.375 1.00 0.00 C ATOM 167 O ASN p 11 -2.097 9.209 0.875 1.00 0.00 O ATOM 168 CB ASN p 11 -4.244 10.822 2.396 1.00 0.00 C ATOM 169 CG ASN p 11 -5.006 9.526 2.606 1.00 0.00 C ATOM 170 OD1 ASN p 11 -5.462 9.234 3.712 1.00 0.00 O ATOM 171 ND2 ASN p 11 -5.148 8.744 1.543 1.00 0.00 N ATOM 0 H ASN p 11 -2.652 12.737 2.940 1.00 0.00 H new ATOM 0 HA ASN p 11 -2.650 9.874 3.400 1.00 0.00 H new ATOM 0 HB2 ASN p 11 -4.648 11.589 3.057 1.00 0.00 H new ATOM 0 HB3 ASN p 11 -4.397 11.169 1.374 1.00 0.00 H new ATOM 0 HD21 ASN p 11 -5.652 7.861 1.623 1.00 0.00 H new ATOM 0 HD22 ASN p 11 -4.753 9.026 0.646 1.00 0.00 H new ATOM 178 N GLU p 12 -1.355 11.369 0.851 1.00 0.00 N ATOM 179 CA GLU p 12 -0.513 11.293 -0.294 1.00 0.00 C ATOM 180 C GLU p 12 0.806 10.778 0.224 1.00 0.00 C ATOM 181 O GLU p 12 1.529 10.068 -0.443 1.00 0.00 O ATOM 182 CB GLU p 12 -0.347 12.687 -0.831 1.00 0.00 C ATOM 183 CG GLU p 12 0.512 12.771 -2.042 1.00 0.00 C ATOM 184 CD GLU p 12 -0.219 13.277 -3.270 1.00 0.00 C ATOM 185 OE1 GLU p 12 -0.783 12.443 -4.010 1.00 0.00 O ATOM 186 OE2 GLU p 12 -0.229 14.506 -3.491 1.00 0.00 O ATOM 0 H GLU p 12 -1.403 12.307 1.248 1.00 0.00 H new ATOM 0 HA GLU p 12 -0.907 10.654 -1.084 1.00 0.00 H new ATOM 0 HB2 GLU p 12 -1.330 13.094 -1.067 1.00 0.00 H new ATOM 0 HB3 GLU p 12 0.080 13.317 -0.051 1.00 0.00 H new ATOM 0 HG2 GLU p 12 1.355 13.430 -1.834 1.00 0.00 H new ATOM 0 HG3 GLU p 12 0.923 11.784 -2.255 1.00 0.00 H new ATOM 193 N TRP p 13 1.057 11.228 1.452 1.00 0.00 N ATOM 194 CA TRP p 13 2.218 10.856 2.261 1.00 0.00 C ATOM 195 C TRP p 13 1.964 9.490 2.886 1.00 0.00 C ATOM 196 O TRP p 13 2.893 8.831 3.339 1.00 0.00 O ATOM 197 CB TRP p 13 2.496 11.902 3.345 1.00 0.00 C ATOM 198 CG TRP p 13 3.935 11.950 3.779 1.00 0.00 C ATOM 199 CD1 TRP p 13 4.925 12.717 3.233 1.00 0.00 C ATOM 200 CD2 TRP p 13 4.546 11.207 4.847 1.00 0.00 C ATOM 201 NE1 TRP p 13 6.110 12.496 3.891 1.00 0.00 N ATOM 202 CE2 TRP p 13 5.905 11.576 4.884 1.00 0.00 C ATOM 203 CE3 TRP p 13 4.079 10.267 5.774 1.00 0.00 C ATOM 204 CZ2 TRP p 13 6.798 11.039 5.808 1.00 0.00 C ATOM 205 CZ3 TRP p 13 4.968 9.737 6.691 1.00 0.00 C ATOM 206 CH2 TRP p 13 6.313 10.124 6.702 1.00 0.00 C ATOM 0 H TRP p 13 0.437 11.884 1.928 1.00 0.00 H new ATOM 0 HA TRP p 13 3.099 10.810 1.621 1.00 0.00 H new ATOM 0 HB2 TRP p 13 2.204 12.884 2.974 1.00 0.00 H new ATOM 0 HB3 TRP p 13 1.870 11.690 4.212 1.00 0.00 H new ATOM 0 HD1 TRP p 13 4.795 13.398 2.405 1.00 0.00 H new ATOM 0 HE1 TRP p 13 7.000 12.945 3.675 1.00 0.00 H new ATOM 0 HE3 TRP p 13 3.043 9.961 5.773 1.00 0.00 H new ATOM 0 HZ2 TRP p 13 7.837 11.334 5.818 1.00 0.00 H new ATOM 0 HZ3 TRP p 13 4.618 9.012 7.411 1.00 0.00 H new ATOM 0 HH2 TRP p 13 6.982 9.691 7.431 1.00 0.00 H new ATOM 217 N GLU p 14 0.670 9.117 2.936 1.00 0.00 N ATOM 218 CA GLU p 14 0.230 7.784 3.400 1.00 0.00 C ATOM 219 C GLU p 14 0.191 6.929 2.173 1.00 0.00 C ATOM 220 O GLU p 14 0.152 5.702 2.224 1.00 0.00 O ATOM 221 CB GLU p 14 -1.148 7.779 4.051 1.00 0.00 C ATOM 222 CG GLU p 14 -1.252 8.766 5.174 1.00 0.00 C ATOM 223 CD GLU p 14 -1.936 8.206 6.407 1.00 0.00 C ATOM 224 OE1 GLU p 14 -1.232 7.649 7.275 1.00 0.00 O ATOM 225 OE2 GLU p 14 -3.175 8.326 6.505 1.00 0.00 O ATOM 0 H GLU p 14 -0.098 9.728 2.657 1.00 0.00 H new ATOM 0 HA GLU p 14 0.917 7.429 4.168 1.00 0.00 H new ATOM 0 HB2 GLU p 14 -1.903 8.007 3.299 1.00 0.00 H new ATOM 0 HB3 GLU p 14 -1.365 6.780 4.428 1.00 0.00 H new ATOM 0 HG2 GLU p 14 -0.252 9.104 5.445 1.00 0.00 H new ATOM 0 HG3 GLU p 14 -1.802 9.642 4.829 1.00 0.00 H new ATOM 232 N LEU p 15 0.150 7.671 1.070 1.00 0.00 N ATOM 233 CA LEU p 15 0.197 7.139 -0.280 1.00 0.00 C ATOM 234 C LEU p 15 1.670 6.954 -0.634 1.00 0.00 C ATOM 235 O LEU p 15 2.033 6.043 -1.359 1.00 0.00 O ATOM 236 CB LEU p 15 -0.508 8.083 -1.280 1.00 0.00 C ATOM 237 CG LEU p 15 -0.626 7.625 -2.749 1.00 0.00 C ATOM 238 CD1 LEU p 15 0.530 8.186 -3.557 1.00 0.00 C ATOM 239 CD2 LEU p 15 -0.661 6.111 -2.858 1.00 0.00 C ATOM 0 H LEU p 15 0.081 8.688 1.096 1.00 0.00 H new ATOM 0 HA LEU p 15 -0.332 6.188 -0.336 1.00 0.00 H new ATOM 0 HB2 LEU p 15 -1.515 8.272 -0.907 1.00 0.00 H new ATOM 0 HB3 LEU p 15 0.021 9.036 -1.269 1.00 0.00 H new ATOM 0 HG LEU p 15 -1.565 8.006 -3.150 1.00 0.00 H new ATOM 0 HD11 LEU p 15 0.442 7.860 -4.593 1.00 0.00 H new ATOM 0 HD12 LEU p 15 0.508 9.275 -3.516 1.00 0.00 H new ATOM 0 HD13 LEU p 15 1.472 7.827 -3.142 1.00 0.00 H new ATOM 0 HD21 LEU p 15 -0.745 5.824 -3.906 1.00 0.00 H new ATOM 0 HD22 LEU p 15 0.255 5.695 -2.439 1.00 0.00 H new ATOM 0 HD23 LEU p 15 -1.519 5.726 -2.307 1.00 0.00 H new ATOM 251 N GLN p 16 2.479 7.856 -0.063 1.00 0.00 N ATOM 252 CA GLN p 16 3.952 7.869 -0.179 1.00 0.00 C ATOM 253 C GLN p 16 4.456 6.896 0.830 1.00 0.00 C ATOM 254 O GLN p 16 5.551 6.367 0.725 1.00 0.00 O ATOM 255 CB GLN p 16 4.556 9.237 0.125 1.00 0.00 C ATOM 256 CG GLN p 16 4.039 10.315 -0.782 1.00 0.00 C ATOM 257 CD GLN p 16 5.139 11.102 -1.468 1.00 0.00 C ATOM 258 OE1 GLN p 16 5.584 10.746 -2.560 1.00 0.00 O ATOM 259 NE2 GLN p 16 5.584 12.177 -0.829 1.00 0.00 N ATOM 0 H GLN p 16 2.121 8.621 0.510 1.00 0.00 H new ATOM 0 HA GLN p 16 4.233 7.618 -1.202 1.00 0.00 H new ATOM 0 HB2 GLN p 16 4.339 9.503 1.159 1.00 0.00 H new ATOM 0 HB3 GLN p 16 5.640 9.179 0.032 1.00 0.00 H new ATOM 0 HG2 GLN p 16 3.397 9.866 -1.540 1.00 0.00 H new ATOM 0 HG3 GLN p 16 3.419 11.000 -0.204 1.00 0.00 H new ATOM 0 HE21 GLN p 16 5.186 12.435 0.074 1.00 0.00 H new ATOM 0 HE22 GLN p 16 6.324 12.745 -1.241 1.00 0.00 H new ATOM 268 N ALA p 17 3.612 6.759 1.846 1.00 0.00 N ATOM 269 CA ALA p 17 3.795 5.789 2.927 1.00 0.00 C ATOM 270 C ALA p 17 3.215 4.477 2.446 1.00 0.00 C ATOM 271 O ALA p 17 3.464 3.426 3.025 1.00 0.00 O ATOM 272 CB ALA p 17 3.149 6.214 4.237 1.00 0.00 C ATOM 0 H ALA p 17 2.769 7.325 1.946 1.00 0.00 H new ATOM 0 HA ALA p 17 4.859 5.704 3.150 1.00 0.00 H new ATOM 0 HB1 ALA p 17 3.324 5.449 4.994 1.00 0.00 H new ATOM 0 HB2 ALA p 17 3.583 7.157 4.568 1.00 0.00 H new ATOM 0 HB3 ALA p 17 2.076 6.340 4.090 1.00 0.00 H new ATOM 278 N LEU p 18 2.393 4.597 1.381 1.00 0.00 N ATOM 279 CA LEU p 18 1.802 3.467 0.680 1.00 0.00 C ATOM 280 C LEU p 18 2.782 3.072 -0.418 1.00 0.00 C ATOM 281 O LEU p 18 2.813 1.930 -0.872 1.00 0.00 O ATOM 282 CB LEU p 18 0.427 3.827 0.085 1.00 0.00 C ATOM 283 CG LEU p 18 -0.380 2.699 -0.595 1.00 0.00 C ATOM 284 CD1 LEU p 18 -0.128 2.717 -2.092 1.00 0.00 C ATOM 285 CD2 LEU p 18 -0.026 1.339 -0.015 1.00 0.00 C ATOM 0 H LEU p 18 2.126 5.500 0.989 1.00 0.00 H new ATOM 0 HA LEU p 18 1.629 2.640 1.368 1.00 0.00 H new ATOM 0 HB2 LEU p 18 -0.186 4.242 0.885 1.00 0.00 H new ATOM 0 HB3 LEU p 18 0.576 4.621 -0.647 1.00 0.00 H new ATOM 0 HG LEU p 18 -1.439 2.874 -0.406 1.00 0.00 H new ATOM 0 HD11 LEU p 18 -0.699 1.919 -2.567 1.00 0.00 H new ATOM 0 HD12 LEU p 18 -0.438 3.679 -2.502 1.00 0.00 H new ATOM 0 HD13 LEU p 18 0.934 2.566 -2.284 1.00 0.00 H new ATOM 0 HD21 LEU p 18 -0.611 0.567 -0.515 1.00 0.00 H new ATOM 0 HD22 LEU p 18 1.036 1.144 -0.166 1.00 0.00 H new ATOM 0 HD23 LEU p 18 -0.249 1.329 1.052 1.00 0.00 H new ATOM 297 N GLU p 19 3.558 4.080 -0.837 1.00 0.00 N ATOM 298 CA GLU p 19 4.637 3.916 -1.831 1.00 0.00 C ATOM 299 C GLU p 19 5.854 3.483 -1.069 1.00 0.00 C ATOM 300 O GLU p 19 6.741 2.827 -1.594 1.00 0.00 O ATOM 301 CB GLU p 19 4.975 5.197 -2.592 1.00 0.00 C ATOM 302 CG GLU p 19 3.785 5.826 -3.262 1.00 0.00 C ATOM 303 CD GLU p 19 3.953 5.974 -4.761 1.00 0.00 C ATOM 304 OE1 GLU p 19 3.582 5.035 -5.496 1.00 0.00 O ATOM 305 OE2 GLU p 19 4.455 7.030 -5.201 1.00 0.00 O ATOM 0 H GLU p 19 3.458 5.037 -0.498 1.00 0.00 H new ATOM 0 HA GLU p 19 4.307 3.194 -2.578 1.00 0.00 H new ATOM 0 HB2 GLU p 19 5.415 5.916 -1.901 1.00 0.00 H new ATOM 0 HB3 GLU p 19 5.731 4.975 -3.345 1.00 0.00 H new ATOM 0 HG2 GLU p 19 2.901 5.222 -3.060 1.00 0.00 H new ATOM 0 HG3 GLU p 19 3.607 6.808 -2.824 1.00 0.00 H new ATOM 312 N LYS p 20 5.870 3.957 0.176 1.00 0.00 N ATOM 313 CA LYS p 20 6.895 3.617 1.167 1.00 0.00 C ATOM 314 C LYS p 20 6.538 2.283 1.810 1.00 0.00 C ATOM 315 O LYS p 20 7.382 1.624 2.416 1.00 0.00 O ATOM 316 CB LYS p 20 7.004 4.697 2.234 1.00 0.00 C ATOM 317 CG LYS p 20 8.394 5.286 2.385 1.00 0.00 C ATOM 318 CD LYS p 20 9.070 4.807 3.659 1.00 0.00 C ATOM 319 CE LYS p 20 10.460 5.403 3.810 1.00 0.00 C ATOM 320 NZ LYS p 20 11.131 4.942 5.057 1.00 0.00 N ATOM 0 H LYS p 20 5.161 4.598 0.532 1.00 0.00 H new ATOM 0 HA LYS p 20 7.860 3.543 0.666 1.00 0.00 H new ATOM 0 HB2 LYS p 20 6.306 5.499 1.995 1.00 0.00 H new ATOM 0 HB3 LYS p 20 6.693 4.279 3.191 1.00 0.00 H new ATOM 0 HG2 LYS p 20 9.002 5.010 1.524 1.00 0.00 H new ATOM 0 HG3 LYS p 20 8.330 6.374 2.394 1.00 0.00 H new ATOM 0 HD2 LYS p 20 8.460 5.080 4.520 1.00 0.00 H new ATOM 0 HD3 LYS p 20 9.139 3.719 3.649 1.00 0.00 H new ATOM 0 HE2 LYS p 20 11.068 5.128 2.948 1.00 0.00 H new ATOM 0 HE3 LYS p 20 10.390 6.491 3.817 1.00 0.00 H new ATOM 0 HZ1 LYS p 20 12.076 5.371 5.122 1.00 0.00 H new ATOM 0 HZ2 LYS p 20 10.564 5.226 5.882 1.00 0.00 H new ATOM 0 HZ3 LYS p 20 11.222 3.906 5.040 1.00 0.00 H new ATOM 334 N GLU p 21 5.252 1.926 1.665 1.00 0.00 N ATOM 335 CA GLU p 21 4.704 0.661 2.113 1.00 0.00 C ATOM 336 C GLU p 21 4.916 -0.278 0.945 1.00 0.00 C ATOM 337 O GLU p 21 5.083 -1.491 1.097 1.00 0.00 O ATOM 338 CB GLU p 21 3.224 0.817 2.474 1.00 0.00 C ATOM 339 CG GLU p 21 2.368 -0.417 2.267 1.00 0.00 C ATOM 340 CD GLU p 21 1.906 -1.043 3.568 1.00 0.00 C ATOM 341 OE1 GLU p 21 2.631 -1.909 4.101 1.00 0.00 O ATOM 342 OE2 GLU p 21 0.818 -0.667 4.054 1.00 0.00 O ATOM 0 H GLU p 21 4.560 2.530 1.222 1.00 0.00 H new ATOM 0 HA GLU p 21 5.183 0.283 3.016 1.00 0.00 H new ATOM 0 HB2 GLU p 21 3.153 1.116 3.520 1.00 0.00 H new ATOM 0 HB3 GLU p 21 2.807 1.631 1.881 1.00 0.00 H new ATOM 0 HG2 GLU p 21 1.497 -0.152 1.668 1.00 0.00 H new ATOM 0 HG3 GLU p 21 2.934 -1.154 1.697 1.00 0.00 H new ATOM 349 N LEU p 22 4.890 0.355 -0.236 1.00 0.00 N ATOM 350 CA LEU p 22 5.180 -0.303 -1.491 1.00 0.00 C ATOM 351 C LEU p 22 6.685 -0.491 -1.526 1.00 0.00 C ATOM 352 O LEU p 22 7.195 -1.550 -1.895 1.00 0.00 O ATOM 353 CB LEU p 22 4.724 0.590 -2.643 1.00 0.00 C ATOM 354 CG LEU p 22 4.501 -0.054 -4.009 1.00 0.00 C ATOM 355 CD1 LEU p 22 3.912 0.995 -4.916 1.00 0.00 C ATOM 356 CD2 LEU p 22 5.801 -0.581 -4.597 1.00 0.00 C ATOM 0 H LEU p 22 4.664 1.345 -0.334 1.00 0.00 H new ATOM 0 HA LEU p 22 4.665 -1.259 -1.585 1.00 0.00 H new ATOM 0 HB2 LEU p 22 3.792 1.069 -2.344 1.00 0.00 H new ATOM 0 HB3 LEU p 22 5.464 1.381 -2.764 1.00 0.00 H new ATOM 0 HG LEU p 22 3.828 -0.905 -3.906 1.00 0.00 H new ATOM 0 HD11 LEU p 22 3.740 0.567 -5.904 1.00 0.00 H new ATOM 0 HD12 LEU p 22 2.966 1.345 -4.502 1.00 0.00 H new ATOM 0 HD13 LEU p 22 4.603 1.833 -5.000 1.00 0.00 H new ATOM 0 HD21 LEU p 22 5.604 -1.033 -5.569 1.00 0.00 H new ATOM 0 HD22 LEU p 22 6.507 0.241 -4.715 1.00 0.00 H new ATOM 0 HD23 LEU p 22 6.225 -1.330 -3.928 1.00 0.00 H new ATOM 368 N ALA p 23 7.369 0.584 -1.104 1.00 0.00 N ATOM 369 CA ALA p 23 8.836 0.602 -0.988 1.00 0.00 C ATOM 370 C ALA p 23 9.286 -0.251 0.199 1.00 0.00 C ATOM 371 O ALA p 23 10.466 -0.562 0.332 1.00 0.00 O ATOM 372 CB ALA p 23 9.379 2.019 -0.850 1.00 0.00 C ATOM 0 H ALA p 23 6.924 1.461 -0.835 1.00 0.00 H new ATOM 0 HA ALA p 23 9.241 0.181 -1.909 1.00 0.00 H new ATOM 0 HB1 ALA p 23 10.465 1.986 -0.767 1.00 0.00 H new ATOM 0 HB2 ALA p 23 9.100 2.603 -1.727 1.00 0.00 H new ATOM 0 HB3 ALA p 23 8.961 2.483 0.043 1.00 0.00 H new ATOM 378 N GLN p 24 8.307 -0.616 1.050 1.00 0.00 N ATOM 379 CA GLN p 24 8.502 -1.451 2.212 1.00 0.00 C ATOM 380 C GLN p 24 8.569 -2.918 1.774 1.00 0.00 C ATOM 381 O GLN p 24 9.216 -3.735 2.407 1.00 0.00 O ATOM 382 CB GLN p 24 7.326 -1.215 3.156 1.00 0.00 C ATOM 383 CG GLN p 24 7.179 -2.248 4.236 1.00 0.00 C ATOM 384 CD GLN p 24 7.105 -1.654 5.629 1.00 0.00 C ATOM 385 OE1 GLN p 24 8.125 -1.472 6.294 1.00 0.00 O ATOM 386 NE2 GLN p 24 5.894 -1.346 6.078 1.00 0.00 N ATOM 0 H GLN p 24 7.338 -0.321 0.929 1.00 0.00 H new ATOM 0 HA GLN p 24 9.434 -1.208 2.722 1.00 0.00 H new ATOM 0 HB2 GLN p 24 7.440 -0.235 3.620 1.00 0.00 H new ATOM 0 HB3 GLN p 24 6.407 -1.186 2.571 1.00 0.00 H new ATOM 0 HG2 GLN p 24 6.278 -2.833 4.050 1.00 0.00 H new ATOM 0 HG3 GLN p 24 8.022 -2.937 4.187 1.00 0.00 H new ATOM 0 HE21 GLN p 24 5.075 -1.514 5.493 1.00 0.00 H new ATOM 0 HE22 GLN p 24 5.782 -0.942 7.008 1.00 0.00 H new ATOM 395 N LEU p 25 7.890 -3.178 0.657 1.00 0.00 N ATOM 396 CA LEU p 25 7.784 -4.484 0.005 1.00 0.00 C ATOM 397 C LEU p 25 9.040 -4.751 -0.771 1.00 0.00 C ATOM 398 O LEU p 25 9.461 -5.879 -0.949 1.00 0.00 O ATOM 399 CB LEU p 25 6.576 -4.485 -0.952 1.00 0.00 C ATOM 400 CG LEU p 25 5.404 -5.374 -0.544 1.00 0.00 C ATOM 401 CD1 LEU p 25 5.883 -6.806 -0.410 1.00 0.00 C ATOM 402 CD2 LEU p 25 4.790 -4.866 0.752 1.00 0.00 C ATOM 0 H LEU p 25 7.375 -2.451 0.159 1.00 0.00 H new ATOM 0 HA LEU p 25 7.647 -5.260 0.758 1.00 0.00 H new ATOM 0 HB2 LEU p 25 6.214 -3.462 -1.050 1.00 0.00 H new ATOM 0 HB3 LEU p 25 6.918 -4.798 -1.938 1.00 0.00 H new ATOM 0 HG LEU p 25 4.630 -5.342 -1.310 1.00 0.00 H new ATOM 0 HD11 LEU p 25 5.048 -7.443 -0.119 1.00 0.00 H new ATOM 0 HD12 LEU p 25 6.283 -7.147 -1.365 1.00 0.00 H new ATOM 0 HD13 LEU p 25 6.662 -6.859 0.350 1.00 0.00 H new ATOM 0 HD21 LEU p 25 3.955 -5.507 1.035 1.00 0.00 H new ATOM 0 HD22 LEU p 25 5.542 -4.881 1.541 1.00 0.00 H new ATOM 0 HD23 LEU p 25 4.433 -3.846 0.610 1.00 0.00 H new ATOM 414 N GLU p 26 9.561 -3.640 -1.246 1.00 0.00 N ATOM 415 CA GLU p 26 10.811 -3.514 -1.970 1.00 0.00 C ATOM 416 C GLU p 26 11.896 -3.414 -0.929 1.00 0.00 C ATOM 417 O GLU p 26 13.077 -3.552 -1.194 1.00 0.00 O ATOM 418 CB GLU p 26 10.787 -2.265 -2.834 1.00 0.00 C ATOM 419 CG GLU p 26 9.513 -2.132 -3.641 1.00 0.00 C ATOM 420 CD GLU p 26 9.764 -1.810 -5.101 1.00 0.00 C ATOM 421 OE1 GLU p 26 9.899 -2.758 -5.903 1.00 0.00 O ATOM 422 OE2 GLU p 26 9.824 -0.610 -5.443 1.00 0.00 O ATOM 0 H GLU p 26 9.093 -2.741 -1.130 1.00 0.00 H new ATOM 0 HA GLU p 26 10.979 -4.365 -2.630 1.00 0.00 H new ATOM 0 HB2 GLU p 26 10.902 -1.387 -2.198 1.00 0.00 H new ATOM 0 HB3 GLU p 26 11.641 -2.282 -3.512 1.00 0.00 H new ATOM 0 HG2 GLU p 26 8.948 -3.062 -3.572 1.00 0.00 H new ATOM 0 HG3 GLU p 26 8.893 -1.349 -3.204 1.00 0.00 H new ATOM 429 N LYS p 27 11.433 -3.069 0.260 1.00 0.00 N ATOM 430 CA LYS p 27 12.281 -3.044 1.457 1.00 0.00 C ATOM 431 C LYS p 27 12.300 -4.453 2.023 1.00 0.00 C ATOM 432 O LYS p 27 13.233 -4.858 2.718 1.00 0.00 O ATOM 433 CB LYS p 27 11.793 -2.057 2.511 1.00 0.00 C ATOM 434 CG LYS p 27 12.527 -0.716 2.497 1.00 0.00 C ATOM 435 CD LYS p 27 13.745 -0.711 3.422 1.00 0.00 C ATOM 436 CE LYS p 27 13.400 -0.211 4.820 1.00 0.00 C ATOM 437 NZ LYS p 27 14.593 -0.189 5.712 1.00 0.00 N ATOM 0 H LYS p 27 10.465 -2.798 0.431 1.00 0.00 H new ATOM 0 HA LYS p 27 13.280 -2.709 1.177 1.00 0.00 H new ATOM 0 HB2 LYS p 27 10.728 -1.878 2.361 1.00 0.00 H new ATOM 0 HB3 LYS p 27 11.904 -2.510 3.496 1.00 0.00 H new ATOM 0 HG2 LYS p 27 12.845 -0.489 1.479 1.00 0.00 H new ATOM 0 HG3 LYS p 27 11.840 0.075 2.800 1.00 0.00 H new ATOM 0 HD2 LYS p 27 14.154 -1.719 3.488 1.00 0.00 H new ATOM 0 HD3 LYS p 27 14.523 -0.079 2.993 1.00 0.00 H new ATOM 0 HE2 LYS p 27 12.978 0.792 4.753 1.00 0.00 H new ATOM 0 HE3 LYS p 27 12.633 -0.851 5.256 1.00 0.00 H new ATOM 0 HZ1 LYS p 27 14.317 0.157 6.653 1.00 0.00 H new ATOM 0 HZ2 LYS p 27 14.981 -1.150 5.797 1.00 0.00 H new ATOM 0 HZ3 LYS p 27 15.316 0.442 5.310 1.00 0.00 H new ATOM 451 N GLU p 28 11.220 -5.185 1.724 1.00 0.00 N ATOM 452 CA GLU p 28 11.122 -6.604 2.103 1.00 0.00 C ATOM 453 C GLU p 28 11.690 -7.424 0.971 1.00 0.00 C ATOM 454 O GLU p 28 12.240 -8.509 1.166 1.00 0.00 O ATOM 455 CB GLU p 28 9.682 -7.063 2.350 1.00 0.00 C ATOM 456 CG GLU p 28 8.918 -6.175 3.293 1.00 0.00 C ATOM 457 CD GLU p 28 8.415 -6.904 4.524 1.00 0.00 C ATOM 458 OE1 GLU p 28 9.153 -6.949 5.530 1.00 0.00 O ATOM 459 OE2 GLU p 28 7.283 -7.429 4.481 1.00 0.00 O ATOM 0 H GLU p 28 10.407 -4.824 1.225 1.00 0.00 H new ATOM 0 HA GLU p 28 11.670 -6.737 3.036 1.00 0.00 H new ATOM 0 HB2 GLU p 28 9.155 -7.105 1.397 1.00 0.00 H new ATOM 0 HB3 GLU p 28 9.697 -8.076 2.751 1.00 0.00 H new ATOM 0 HG2 GLU p 28 9.558 -5.350 3.604 1.00 0.00 H new ATOM 0 HG3 GLU p 28 8.070 -5.739 2.765 1.00 0.00 H new ATOM 466 N LEU p 29 11.508 -6.871 -0.222 1.00 0.00 N ATOM 467 CA LEU p 29 11.987 -7.476 -1.455 1.00 0.00 C ATOM 468 C LEU p 29 13.449 -7.164 -1.742 1.00 0.00 C ATOM 469 O LEU p 29 14.260 -8.075 -1.933 1.00 0.00 O ATOM 470 CB LEU p 29 11.153 -6.976 -2.634 1.00 0.00 C ATOM 471 CG LEU p 29 10.700 -8.004 -3.660 1.00 0.00 C ATOM 472 CD1 LEU p 29 9.959 -7.270 -4.752 1.00 0.00 C ATOM 473 CD2 LEU p 29 11.882 -8.764 -4.238 1.00 0.00 C ATOM 0 H LEU p 29 11.021 -5.985 -0.360 1.00 0.00 H new ATOM 0 HA LEU p 29 11.890 -8.554 -1.327 1.00 0.00 H new ATOM 0 HB2 LEU p 29 10.265 -6.486 -2.234 1.00 0.00 H new ATOM 0 HB3 LEU p 29 11.731 -6.213 -3.155 1.00 0.00 H new ATOM 0 HG LEU p 29 10.051 -8.738 -3.184 1.00 0.00 H new ATOM 0 HD11 LEU p 29 9.621 -7.982 -5.505 1.00 0.00 H new ATOM 0 HD12 LEU p 29 9.097 -6.757 -4.325 1.00 0.00 H new ATOM 0 HD13 LEU p 29 10.623 -6.541 -5.215 1.00 0.00 H new ATOM 0 HD21 LEU p 29 11.525 -9.491 -4.968 1.00 0.00 H new ATOM 0 HD22 LEU p 29 12.561 -8.064 -4.725 1.00 0.00 H new ATOM 0 HD23 LEU p 29 12.408 -9.283 -3.437 1.00 0.00 H new ATOM 791 N GLN p 51 4.183 -15.433 -5.409 1.00 0.00 N ATOM 792 CA GLN p 51 2.732 -15.553 -5.593 1.00 0.00 C ATOM 793 C GLN p 51 1.953 -14.801 -4.501 1.00 0.00 C ATOM 794 O GLN p 51 0.730 -14.677 -4.583 1.00 0.00 O ATOM 795 CB GLN p 51 2.332 -17.035 -5.604 1.00 0.00 C ATOM 796 CG GLN p 51 1.126 -17.344 -6.483 1.00 0.00 C ATOM 797 CD GLN p 51 0.772 -18.818 -6.489 1.00 0.00 C ATOM 798 OE1 GLN p 51 -0.016 -19.283 -5.664 1.00 0.00 O ATOM 799 NE2 GLN p 51 1.354 -19.564 -7.421 1.00 0.00 N ATOM 0 HA GLN p 51 2.476 -15.097 -6.550 1.00 0.00 H new ATOM 0 HB2 GLN p 51 3.180 -17.627 -5.947 1.00 0.00 H new ATOM 0 HB3 GLN p 51 2.115 -17.350 -4.583 1.00 0.00 H new ATOM 0 HG2 GLN p 51 0.269 -16.770 -6.132 1.00 0.00 H new ATOM 0 HG3 GLN p 51 1.332 -17.019 -7.503 1.00 0.00 H new ATOM 0 HE21 GLN p 51 2.001 -19.138 -8.085 1.00 0.00 H new ATOM 0 HE22 GLN p 51 1.154 -20.563 -7.473 1.00 0.00 H new ATOM 808 N ALA p 52 2.671 -14.328 -3.479 1.00 0.00 N ATOM 809 CA ALA p 52 2.072 -13.597 -2.358 1.00 0.00 C ATOM 810 C ALA p 52 2.334 -12.083 -2.444 1.00 0.00 C ATOM 811 O ALA p 52 1.811 -11.314 -1.643 1.00 0.00 O ATOM 812 CB ALA p 52 2.609 -14.155 -1.050 1.00 0.00 C ATOM 0 H ALA p 52 3.682 -14.440 -3.405 1.00 0.00 H new ATOM 0 HA ALA p 52 0.992 -13.734 -2.404 1.00 0.00 H new ATOM 0 HB1 ALA p 52 2.166 -13.614 -0.214 1.00 0.00 H new ATOM 0 HB2 ALA p 52 2.354 -15.212 -0.974 1.00 0.00 H new ATOM 0 HB3 ALA p 52 3.693 -14.040 -1.023 1.00 0.00 H new ATOM 818 N LEU p 53 3.166 -11.682 -3.408 1.00 0.00 N ATOM 819 CA LEU p 53 3.552 -10.302 -3.629 1.00 0.00 C ATOM 820 C LEU p 53 2.667 -9.671 -4.695 1.00 0.00 C ATOM 821 O LEU p 53 1.837 -8.813 -4.406 1.00 0.00 O ATOM 822 CB LEU p 53 5.026 -10.294 -4.044 1.00 0.00 C ATOM 823 CG LEU p 53 5.764 -8.971 -3.935 1.00 0.00 C ATOM 824 CD1 LEU p 53 7.218 -9.259 -3.653 1.00 0.00 C ATOM 825 CD2 LEU p 53 5.617 -8.174 -5.222 1.00 0.00 C ATOM 0 H LEU p 53 3.596 -12.330 -4.068 1.00 0.00 H new ATOM 0 HA LEU p 53 3.424 -9.712 -2.721 1.00 0.00 H new ATOM 0 HB2 LEU p 53 5.554 -11.028 -3.435 1.00 0.00 H new ATOM 0 HB3 LEU p 53 5.089 -10.633 -5.078 1.00 0.00 H new ATOM 0 HG LEU p 53 5.342 -8.375 -3.126 1.00 0.00 H new ATOM 0 HD11 LEU p 53 7.766 -8.320 -3.571 1.00 0.00 H new ATOM 0 HD12 LEU p 53 7.305 -9.812 -2.718 1.00 0.00 H new ATOM 0 HD13 LEU p 53 7.636 -9.853 -4.466 1.00 0.00 H new ATOM 0 HD21 LEU p 53 6.151 -7.229 -5.128 1.00 0.00 H new ATOM 0 HD22 LEU p 53 6.032 -8.744 -6.053 1.00 0.00 H new ATOM 0 HD23 LEU p 53 4.561 -7.977 -5.409 1.00 0.00 H new ATOM 837 N LYS p 54 2.848 -10.153 -5.928 1.00 0.00 N ATOM 838 CA LYS p 54 2.084 -9.697 -7.110 1.00 0.00 C ATOM 839 C LYS p 54 0.577 -9.926 -6.931 1.00 0.00 C ATOM 840 O LYS p 54 -0.234 -9.411 -7.698 1.00 0.00 O ATOM 841 CB LYS p 54 2.572 -10.424 -8.372 1.00 0.00 C ATOM 842 CG LYS p 54 3.951 -9.981 -8.859 1.00 0.00 C ATOM 843 CD LYS p 54 3.870 -8.757 -9.763 1.00 0.00 C ATOM 844 CE LYS p 54 5.249 -8.316 -10.227 1.00 0.00 C ATOM 845 NZ LYS p 54 5.183 -7.112 -11.102 1.00 0.00 N ATOM 0 H LYS p 54 3.533 -10.877 -6.144 1.00 0.00 H new ATOM 0 HA LYS p 54 2.254 -8.626 -7.218 1.00 0.00 H new ATOM 0 HB2 LYS p 54 2.597 -11.495 -8.173 1.00 0.00 H new ATOM 0 HB3 LYS p 54 1.849 -10.265 -9.172 1.00 0.00 H new ATOM 0 HG2 LYS p 54 4.584 -9.757 -8.000 1.00 0.00 H new ATOM 0 HG3 LYS p 54 4.425 -10.800 -9.399 1.00 0.00 H new ATOM 0 HD2 LYS p 54 3.248 -8.983 -10.629 1.00 0.00 H new ATOM 0 HD3 LYS p 54 3.386 -7.940 -9.228 1.00 0.00 H new ATOM 0 HE2 LYS p 54 5.872 -8.100 -9.359 1.00 0.00 H new ATOM 0 HE3 LYS p 54 5.728 -9.132 -10.768 1.00 0.00 H new ATOM 0 HZ1 LYS p 54 6.144 -6.844 -11.397 1.00 0.00 H new ATOM 0 HZ2 LYS p 54 4.610 -7.325 -11.943 1.00 0.00 H new ATOM 0 HZ3 LYS p 54 4.749 -6.325 -10.578 1.00 0.00 H new ATOM 859 N LYS p 55 0.244 -10.718 -5.908 1.00 0.00 N ATOM 860 CA LYS p 55 -1.111 -11.056 -5.535 1.00 0.00 C ATOM 861 C LYS p 55 -1.579 -10.126 -4.436 1.00 0.00 C ATOM 862 O LYS p 55 -2.727 -9.691 -4.435 1.00 0.00 O ATOM 863 CB LYS p 55 -1.189 -12.510 -5.084 1.00 0.00 C ATOM 864 CG LYS p 55 -1.590 -13.479 -6.189 1.00 0.00 C ATOM 865 CD LYS p 55 -3.101 -13.677 -6.251 1.00 0.00 C ATOM 866 CE LYS p 55 -3.502 -14.618 -7.379 1.00 0.00 C ATOM 867 NZ LYS p 55 -3.164 -16.037 -7.074 1.00 0.00 N ATOM 0 H LYS p 55 0.942 -11.151 -5.303 1.00 0.00 H new ATOM 0 HA LYS p 55 -1.764 -10.936 -6.399 1.00 0.00 H new ATOM 0 HB2 LYS p 55 -0.219 -12.809 -4.686 1.00 0.00 H new ATOM 0 HB3 LYS p 55 -1.907 -12.589 -4.267 1.00 0.00 H new ATOM 0 HG2 LYS p 55 -1.233 -13.104 -7.148 1.00 0.00 H new ATOM 0 HG3 LYS p 55 -1.104 -14.441 -6.023 1.00 0.00 H new ATOM 0 HD2 LYS p 55 -3.454 -14.077 -5.301 1.00 0.00 H new ATOM 0 HD3 LYS p 55 -3.589 -12.712 -6.392 1.00 0.00 H new ATOM 0 HE2 LYS p 55 -4.574 -14.532 -7.558 1.00 0.00 H new ATOM 0 HE3 LYS p 55 -3.000 -14.316 -8.298 1.00 0.00 H new ATOM 0 HZ1 LYS p 55 -3.455 -16.642 -7.869 1.00 0.00 H new ATOM 0 HZ2 LYS p 55 -2.138 -16.126 -6.928 1.00 0.00 H new ATOM 0 HZ3 LYS p 55 -3.663 -16.335 -6.212 1.00 0.00 H new ATOM 881 N LYS p 56 -0.663 -9.834 -3.493 1.00 0.00 N ATOM 882 CA LYS p 56 -0.955 -8.892 -2.382 1.00 0.00 C ATOM 883 C LYS p 56 -0.927 -7.449 -2.903 1.00 0.00 C ATOM 884 O LYS p 56 -1.359 -6.505 -2.238 1.00 0.00 O ATOM 885 CB LYS p 56 0.045 -9.044 -1.237 1.00 0.00 C ATOM 886 CG LYS p 56 -0.407 -10.004 -0.139 1.00 0.00 C ATOM 887 CD LYS p 56 -1.307 -9.319 0.887 1.00 0.00 C ATOM 888 CE LYS p 56 -1.747 -10.279 1.984 1.00 0.00 C ATOM 889 NZ LYS p 56 -2.764 -11.257 1.503 1.00 0.00 N ATOM 0 H LYS p 56 0.277 -10.229 -3.473 1.00 0.00 H new ATOM 0 HA LYS p 56 -1.947 -9.128 -1.996 1.00 0.00 H new ATOM 0 HB2 LYS p 56 0.995 -9.393 -1.642 1.00 0.00 H new ATOM 0 HB3 LYS p 56 0.228 -8.064 -0.796 1.00 0.00 H new ATOM 0 HG2 LYS p 56 -0.941 -10.842 -0.587 1.00 0.00 H new ATOM 0 HG3 LYS p 56 0.468 -10.416 0.364 1.00 0.00 H new ATOM 0 HD2 LYS p 56 -0.776 -8.478 1.332 1.00 0.00 H new ATOM 0 HD3 LYS p 56 -2.185 -8.912 0.386 1.00 0.00 H new ATOM 0 HE2 LYS p 56 -0.878 -10.818 2.363 1.00 0.00 H new ATOM 0 HE3 LYS p 56 -2.158 -9.711 2.818 1.00 0.00 H new ATOM 0 HZ1 LYS p 56 -3.034 -11.890 2.283 1.00 0.00 H new ATOM 0 HZ2 LYS p 56 -3.605 -10.746 1.165 1.00 0.00 H new ATOM 0 HZ3 LYS p 56 -2.364 -11.819 0.724 1.00 0.00 H new ATOM 903 N LEU p 57 -0.396 -7.342 -4.119 1.00 0.00 N ATOM 904 CA LEU p 57 -0.264 -6.122 -4.888 1.00 0.00 C ATOM 905 C LEU p 57 -1.478 -6.029 -5.766 1.00 0.00 C ATOM 906 O LEU p 57 -2.081 -4.973 -5.924 1.00 0.00 O ATOM 907 CB LEU p 57 0.983 -6.197 -5.760 1.00 0.00 C ATOM 908 CG LEU p 57 2.229 -5.466 -5.270 1.00 0.00 C ATOM 909 CD1 LEU p 57 2.730 -6.039 -3.949 1.00 0.00 C ATOM 910 CD2 LEU p 57 3.288 -5.584 -6.340 1.00 0.00 C ATOM 0 H LEU p 57 -0.028 -8.154 -4.615 1.00 0.00 H new ATOM 0 HA LEU p 57 -0.179 -5.255 -4.233 1.00 0.00 H new ATOM 0 HB2 LEU p 57 1.239 -7.248 -5.891 1.00 0.00 H new ATOM 0 HB3 LEU p 57 0.729 -5.806 -6.745 1.00 0.00 H new ATOM 0 HG LEU p 57 1.990 -4.418 -5.087 1.00 0.00 H new ATOM 0 HD11 LEU p 57 3.619 -5.494 -3.630 1.00 0.00 H new ATOM 0 HD12 LEU p 57 1.952 -5.941 -3.191 1.00 0.00 H new ATOM 0 HD13 LEU p 57 2.978 -7.092 -4.080 1.00 0.00 H new ATOM 0 HD21 LEU p 57 4.192 -5.069 -6.015 1.00 0.00 H new ATOM 0 HD22 LEU p 57 3.513 -6.636 -6.515 1.00 0.00 H new ATOM 0 HD23 LEU p 57 2.925 -5.132 -7.263 1.00 0.00 H new ATOM 922 N ALA p 58 -1.793 -7.191 -6.357 1.00 0.00 N ATOM 923 CA ALA p 58 -2.997 -7.344 -7.200 1.00 0.00 C ATOM 924 C ALA p 58 -4.259 -7.231 -6.338 1.00 0.00 C ATOM 925 O ALA p 58 -5.364 -7.030 -6.848 1.00 0.00 O ATOM 926 CB ALA p 58 -2.993 -8.666 -7.950 1.00 0.00 C ATOM 0 H ALA p 58 -1.234 -8.040 -6.269 1.00 0.00 H new ATOM 0 HA ALA p 58 -2.990 -6.543 -7.939 1.00 0.00 H new ATOM 0 HB1 ALA p 58 -3.894 -8.742 -8.559 1.00 0.00 H new ATOM 0 HB2 ALA p 58 -2.115 -8.716 -8.594 1.00 0.00 H new ATOM 0 HB3 ALA p 58 -2.967 -9.489 -7.236 1.00 0.00 H new ATOM 932 N GLN p 59 -4.050 -7.375 -5.023 1.00 0.00 N ATOM 933 CA GLN p 59 -5.071 -7.258 -4.016 1.00 0.00 C ATOM 934 C GLN p 59 -5.053 -5.826 -3.487 1.00 0.00 C ATOM 935 O GLN p 59 -6.058 -5.316 -3.003 1.00 0.00 O ATOM 936 CB GLN p 59 -4.757 -8.269 -2.910 1.00 0.00 C ATOM 937 CG GLN p 59 -5.419 -7.982 -1.586 1.00 0.00 C ATOM 938 CD GLN p 59 -6.242 -9.143 -1.064 1.00 0.00 C ATOM 939 OE1 GLN p 59 -5.737 -10.003 -0.341 1.00 0.00 O ATOM 940 NE2 GLN p 59 -7.518 -9.176 -1.431 1.00 0.00 N ATOM 0 H GLN p 59 -3.130 -7.583 -4.635 1.00 0.00 H new ATOM 0 HA GLN p 59 -6.065 -7.469 -4.412 1.00 0.00 H new ATOM 0 HB2 GLN p 59 -5.062 -9.260 -3.246 1.00 0.00 H new ATOM 0 HB3 GLN p 59 -3.678 -8.301 -2.762 1.00 0.00 H new ATOM 0 HG2 GLN p 59 -4.654 -7.729 -0.852 1.00 0.00 H new ATOM 0 HG3 GLN p 59 -6.062 -7.108 -1.691 1.00 0.00 H new ATOM 0 HE21 GLN p 59 -7.895 -8.443 -2.031 1.00 0.00 H new ATOM 0 HE22 GLN p 59 -8.121 -9.935 -1.113 1.00 0.00 H new ATOM 949 N LEU p 60 -3.868 -5.217 -3.598 1.00 0.00 N ATOM 950 CA LEU p 60 -3.615 -3.837 -3.180 1.00 0.00 C ATOM 951 C LEU p 60 -4.091 -2.871 -4.273 1.00 0.00 C ATOM 952 O LEU p 60 -4.490 -1.742 -4.004 1.00 0.00 O ATOM 953 CB LEU p 60 -2.108 -3.651 -2.900 1.00 0.00 C ATOM 954 CG LEU p 60 -1.657 -2.307 -2.288 1.00 0.00 C ATOM 955 CD1 LEU p 60 -1.222 -1.362 -3.393 1.00 0.00 C ATOM 956 CD2 LEU p 60 -2.761 -1.675 -1.453 1.00 0.00 C ATOM 0 H LEU p 60 -3.045 -5.678 -3.987 1.00 0.00 H new ATOM 0 HA LEU p 60 -4.167 -3.621 -2.265 1.00 0.00 H new ATOM 0 HB2 LEU p 60 -1.789 -4.449 -2.230 1.00 0.00 H new ATOM 0 HB3 LEU p 60 -1.572 -3.790 -3.839 1.00 0.00 H new ATOM 0 HG LEU p 60 -0.814 -2.500 -1.624 1.00 0.00 H new ATOM 0 HD11 LEU p 60 -0.904 -0.415 -2.957 1.00 0.00 H new ATOM 0 HD12 LEU p 60 -0.392 -1.804 -3.944 1.00 0.00 H new ATOM 0 HD13 LEU p 60 -2.057 -1.187 -4.072 1.00 0.00 H new ATOM 0 HD21 LEU p 60 -2.408 -0.731 -1.038 1.00 0.00 H new ATOM 0 HD22 LEU p 60 -3.633 -1.492 -2.081 1.00 0.00 H new ATOM 0 HD23 LEU p 60 -3.034 -2.349 -0.641 1.00 0.00 H new ATOM 968 N LYS p 61 -4.044 -3.392 -5.491 1.00 0.00 N ATOM 969 CA LYS p 61 -4.454 -2.734 -6.723 1.00 0.00 C ATOM 970 C LYS p 61 -5.952 -2.903 -6.832 1.00 0.00 C ATOM 971 O LYS p 61 -6.667 -2.076 -7.403 1.00 0.00 O ATOM 972 CB LYS p 61 -3.744 -3.377 -7.922 1.00 0.00 C ATOM 973 CG LYS p 61 -2.680 -2.498 -8.563 1.00 0.00 C ATOM 974 CD LYS p 61 -3.243 -1.681 -9.718 1.00 0.00 C ATOM 975 CE LYS p 61 -2.198 -0.741 -10.297 1.00 0.00 C ATOM 976 NZ LYS p 61 -2.745 0.075 -11.416 1.00 0.00 N ATOM 0 H LYS p 61 -3.699 -4.338 -5.655 1.00 0.00 H new ATOM 0 HA LYS p 61 -4.189 -1.677 -6.715 1.00 0.00 H new ATOM 0 HB2 LYS p 61 -3.282 -4.310 -7.599 1.00 0.00 H new ATOM 0 HB3 LYS p 61 -4.489 -3.634 -8.675 1.00 0.00 H new ATOM 0 HG2 LYS p 61 -2.262 -1.827 -7.813 1.00 0.00 H new ATOM 0 HG3 LYS p 61 -1.862 -3.122 -8.924 1.00 0.00 H new ATOM 0 HD2 LYS p 61 -3.603 -2.352 -10.498 1.00 0.00 H new ATOM 0 HD3 LYS p 61 -4.101 -1.104 -9.373 1.00 0.00 H new ATOM 0 HE2 LYS p 61 -1.829 -0.080 -9.512 1.00 0.00 H new ATOM 0 HE3 LYS p 61 -1.346 -1.320 -10.653 1.00 0.00 H new ATOM 0 HZ1 LYS p 61 -2.002 0.703 -11.783 1.00 0.00 H new ATOM 0 HZ2 LYS p 61 -3.074 -0.554 -12.176 1.00 0.00 H new ATOM 0 HZ3 LYS p 61 -3.542 0.647 -11.071 1.00 0.00 H new ATOM 990 N TRP p 62 -6.389 -4.029 -6.253 1.00 0.00 N ATOM 991 CA TRP p 62 -7.793 -4.368 -6.123 1.00 0.00 C ATOM 992 C TRP p 62 -8.309 -3.556 -4.957 1.00 0.00 C ATOM 993 O TRP p 62 -9.491 -3.210 -4.879 1.00 0.00 O ATOM 994 CB TRP p 62 -7.979 -5.859 -5.864 1.00 0.00 C ATOM 995 CG TRP p 62 -9.068 -6.478 -6.690 1.00 0.00 C ATOM 996 CD1 TRP p 62 -8.925 -7.085 -7.904 1.00 0.00 C ATOM 997 CD2 TRP p 62 -10.468 -6.551 -6.369 1.00 0.00 C ATOM 998 NE1 TRP p 62 -10.142 -7.531 -8.358 1.00 0.00 N ATOM 999 CE2 TRP p 62 -11.104 -7.216 -7.435 1.00 0.00 C ATOM 1000 CE3 TRP p 62 -11.245 -6.122 -5.285 1.00 0.00 C ATOM 1001 CZ2 TRP p 62 -12.476 -7.460 -7.449 1.00 0.00 C ATOM 1002 CZ3 TRP p 62 -12.606 -6.366 -5.302 1.00 0.00 C ATOM 1003 CH2 TRP p 62 -13.209 -7.029 -6.377 1.00 0.00 C ATOM 0 H TRP p 62 -5.762 -4.731 -5.860 1.00 0.00 H new ATOM 0 HA TRP p 62 -8.337 -4.145 -7.041 1.00 0.00 H new ATOM 0 HB2 TRP p 62 -7.041 -6.375 -6.068 1.00 0.00 H new ATOM 0 HB3 TRP p 62 -8.203 -6.011 -4.808 1.00 0.00 H new ATOM 0 HD1 TRP p 62 -7.990 -7.198 -8.432 1.00 0.00 H new ATOM 0 HE1 TRP p 62 -10.303 -8.018 -9.240 1.00 0.00 H new ATOM 0 HE3 TRP p 62 -10.789 -5.610 -4.451 1.00 0.00 H new ATOM 0 HZ2 TRP p 62 -12.944 -7.971 -8.277 1.00 0.00 H new ATOM 0 HZ3 TRP p 62 -13.214 -6.039 -4.471 1.00 0.00 H new ATOM 0 HH2 TRP p 62 -14.275 -7.204 -6.360 1.00 0.00 H new ATOM 1014 N LYS p 63 -7.361 -3.263 -4.043 1.00 0.00 N ATOM 1015 CA LYS p 63 -7.635 -2.397 -2.892 1.00 0.00 C ATOM 1016 C LYS p 63 -7.650 -0.944 -3.351 1.00 0.00 C ATOM 1017 O LYS p 63 -8.327 -0.121 -2.766 1.00 0.00 O ATOM 1018 CB LYS p 63 -6.612 -2.575 -1.773 1.00 0.00 C ATOM 1019 CG LYS p 63 -6.971 -3.669 -0.782 1.00 0.00 C ATOM 1020 CD LYS p 63 -6.019 -3.684 0.403 1.00 0.00 C ATOM 1021 CE LYS p 63 -6.372 -4.786 1.387 1.00 0.00 C ATOM 1022 NZ LYS p 63 -5.442 -4.814 2.549 1.00 0.00 N ATOM 0 H LYS p 63 -6.405 -3.615 -4.085 1.00 0.00 H new ATOM 0 HA LYS p 63 -8.607 -2.679 -2.487 1.00 0.00 H new ATOM 0 HB2 LYS p 63 -5.641 -2.801 -2.214 1.00 0.00 H new ATOM 0 HB3 LYS p 63 -6.507 -1.632 -1.236 1.00 0.00 H new ATOM 0 HG2 LYS p 63 -7.991 -3.520 -0.428 1.00 0.00 H new ATOM 0 HG3 LYS p 63 -6.945 -4.637 -1.282 1.00 0.00 H new ATOM 0 HD2 LYS p 63 -4.998 -3.825 0.049 1.00 0.00 H new ATOM 0 HD3 LYS p 63 -6.051 -2.719 0.909 1.00 0.00 H new ATOM 0 HE2 LYS p 63 -7.392 -4.642 1.742 1.00 0.00 H new ATOM 0 HE3 LYS p 63 -6.345 -5.749 0.878 1.00 0.00 H new ATOM 0 HZ1 LYS p 63 -5.718 -5.580 3.196 1.00 0.00 H new ATOM 0 HZ2 LYS p 63 -4.471 -4.977 2.213 1.00 0.00 H new ATOM 0 HZ3 LYS p 63 -5.486 -3.904 3.051 1.00 0.00 H new ATOM 1036 N LEU p 64 -6.879 -0.670 -4.418 1.00 0.00 N ATOM 1037 CA LEU p 64 -6.794 0.658 -5.071 1.00 0.00 C ATOM 1038 C LEU p 64 -8.131 1.009 -5.667 1.00 0.00 C ATOM 1039 O LEU p 64 -8.641 2.093 -5.562 1.00 0.00 O ATOM 1040 CB LEU p 64 -5.788 0.609 -6.210 1.00 0.00 C ATOM 1041 CG LEU p 64 -4.515 1.419 -6.051 1.00 0.00 C ATOM 1042 CD1 LEU p 64 -3.528 0.685 -5.167 1.00 0.00 C ATOM 1043 CD2 LEU p 64 -3.940 1.650 -7.424 1.00 0.00 C ATOM 0 H LEU p 64 -6.287 -1.372 -4.861 1.00 0.00 H new ATOM 0 HA LEU p 64 -6.493 1.394 -4.325 1.00 0.00 H new ATOM 0 HB2 LEU p 64 -5.507 -0.432 -6.367 1.00 0.00 H new ATOM 0 HB3 LEU p 64 -6.290 0.944 -7.118 1.00 0.00 H new ATOM 0 HG LEU p 64 -4.730 2.375 -5.573 1.00 0.00 H new ATOM 0 HD11 LEU p 64 -2.620 1.280 -5.063 1.00 0.00 H new ATOM 0 HD12 LEU p 64 -3.970 0.523 -4.184 1.00 0.00 H new ATOM 0 HD13 LEU p 64 -3.282 -0.277 -5.617 1.00 0.00 H new ATOM 0 HD21 LEU p 64 -3.022 2.231 -7.341 1.00 0.00 H new ATOM 0 HD22 LEU p 64 -3.721 0.691 -7.893 1.00 0.00 H new ATOM 0 HD23 LEU p 64 -4.661 2.195 -8.033 1.00 0.00 H new ATOM 1055 N GLN p 65 -8.664 0.024 -6.307 1.00 0.00 N ATOM 1056 CA GLN p 65 -9.965 0.059 -6.922 1.00 0.00 C ATOM 1057 C GLN p 65 -11.002 0.306 -5.818 1.00 0.00 C ATOM 1058 O GLN p 65 -12.144 0.661 -6.073 1.00 0.00 O ATOM 1059 CB GLN p 65 -10.149 -1.287 -7.633 1.00 0.00 C ATOM 1060 CG GLN p 65 -11.581 -1.714 -7.827 1.00 0.00 C ATOM 1061 CD GLN p 65 -11.881 -2.170 -9.242 1.00 0.00 C ATOM 1062 OE1 GLN p 65 -12.265 -1.371 -10.096 1.00 0.00 O ATOM 1063 NE2 GLN p 65 -11.707 -3.461 -9.497 1.00 0.00 N ATOM 0 H GLN p 65 -8.190 -0.872 -6.426 1.00 0.00 H new ATOM 0 HA GLN p 65 -10.081 0.856 -7.656 1.00 0.00 H new ATOM 0 HB2 GLN p 65 -9.666 -1.235 -8.609 1.00 0.00 H new ATOM 0 HB3 GLN p 65 -9.630 -2.057 -7.061 1.00 0.00 H new ATOM 0 HG2 GLN p 65 -11.809 -2.525 -7.135 1.00 0.00 H new ATOM 0 HG3 GLN p 65 -12.239 -0.883 -7.573 1.00 0.00 H new ATOM 0 HE21 GLN p 65 -11.387 -4.088 -8.759 1.00 0.00 H new ATOM 0 HE22 GLN p 65 -11.893 -3.826 -10.431 1.00 0.00 H new ATOM 1072 N ALA p 66 -10.562 -0.017 -4.610 1.00 0.00 N ATOM 1073 CA ALA p 66 -11.318 0.162 -3.384 1.00 0.00 C ATOM 1074 C ALA p 66 -10.884 1.406 -2.614 1.00 0.00 C ATOM 1075 O ALA p 66 -11.716 2.103 -2.043 1.00 0.00 O ATOM 1076 CB ALA p 66 -11.233 -1.077 -2.505 1.00 0.00 C ATOM 0 H ALA p 66 -9.640 -0.424 -4.454 1.00 0.00 H new ATOM 0 HA ALA p 66 -12.359 0.310 -3.671 1.00 0.00 H new ATOM 0 HB1 ALA p 66 -11.808 -0.916 -1.593 1.00 0.00 H new ATOM 0 HB2 ALA p 66 -11.639 -1.934 -3.043 1.00 0.00 H new ATOM 0 HB3 ALA p 66 -10.191 -1.270 -2.248 1.00 0.00 H new ATOM 1082 N LEU p 67 -9.562 1.660 -2.621 1.00 0.00 N ATOM 1083 CA LEU p 67 -8.938 2.759 -1.896 1.00 0.00 C ATOM 1084 C LEU p 67 -8.951 4.018 -2.738 1.00 0.00 C ATOM 1085 O LEU p 67 -9.155 5.115 -2.231 1.00 0.00 O ATOM 1086 CB LEU p 67 -7.510 2.336 -1.490 1.00 0.00 C ATOM 1087 CG LEU p 67 -6.341 2.923 -2.299 1.00 0.00 C ATOM 1088 CD1 LEU p 67 -5.899 4.248 -1.718 1.00 0.00 C ATOM 1089 CD2 LEU p 67 -5.180 1.950 -2.362 1.00 0.00 C ATOM 0 H LEU p 67 -8.895 1.092 -3.143 1.00 0.00 H new ATOM 0 HA LEU p 67 -9.498 2.985 -0.989 1.00 0.00 H new ATOM 0 HB2 LEU p 67 -7.364 2.604 -0.444 1.00 0.00 H new ATOM 0 HB3 LEU p 67 -7.450 1.249 -1.552 1.00 0.00 H new ATOM 0 HG LEU p 67 -6.690 3.096 -3.317 1.00 0.00 H new ATOM 0 HD11 LEU p 67 -5.071 4.645 -2.306 1.00 0.00 H new ATOM 0 HD12 LEU p 67 -6.731 4.951 -1.742 1.00 0.00 H new ATOM 0 HD13 LEU p 67 -5.576 4.104 -0.687 1.00 0.00 H new ATOM 0 HD21 LEU p 67 -4.367 2.390 -2.940 1.00 0.00 H new ATOM 0 HD22 LEU p 67 -4.832 1.733 -1.352 1.00 0.00 H new ATOM 0 HD23 LEU p 67 -5.505 1.026 -2.839 1.00 0.00 H new ATOM 1101 N LYS p 68 -8.673 3.820 -4.021 1.00 0.00 N ATOM 1102 CA LYS p 68 -8.696 4.885 -5.021 1.00 0.00 C ATOM 1103 C LYS p 68 -10.141 5.182 -5.345 1.00 0.00 C ATOM 1104 O LYS p 68 -10.459 6.269 -5.816 1.00 0.00 O ATOM 1105 CB LYS p 68 -7.908 4.533 -6.293 1.00 0.00 C ATOM 1106 CG LYS p 68 -6.394 4.641 -6.140 1.00 0.00 C ATOM 1107 CD LYS p 68 -5.895 6.058 -6.402 1.00 0.00 C ATOM 1108 CE LYS p 68 -4.388 6.158 -6.235 1.00 0.00 C ATOM 1109 NZ LYS p 68 -3.894 7.542 -6.476 1.00 0.00 N ATOM 0 H LYS p 68 -8.423 2.908 -4.402 1.00 0.00 H new ATOM 0 HA LYS p 68 -8.201 5.764 -4.608 1.00 0.00 H new ATOM 0 HB2 LYS p 68 -8.160 3.516 -6.593 1.00 0.00 H new ATOM 0 HB3 LYS p 68 -8.228 5.192 -7.100 1.00 0.00 H new ATOM 0 HG2 LYS p 68 -6.108 4.336 -5.133 1.00 0.00 H new ATOM 0 HG3 LYS p 68 -5.909 3.952 -6.832 1.00 0.00 H new ATOM 0 HD2 LYS p 68 -6.171 6.361 -7.412 1.00 0.00 H new ATOM 0 HD3 LYS p 68 -6.385 6.750 -5.717 1.00 0.00 H new ATOM 0 HE2 LYS p 68 -4.113 5.844 -5.228 1.00 0.00 H new ATOM 0 HE3 LYS p 68 -3.900 5.472 -6.927 1.00 0.00 H new ATOM 0 HZ1 LYS p 68 -2.862 7.569 -6.352 1.00 0.00 H new ATOM 0 HZ2 LYS p 68 -4.134 7.833 -7.445 1.00 0.00 H new ATOM 0 HZ3 LYS p 68 -4.341 8.193 -5.799 1.00 0.00 H new ATOM 1123 N LYS p 69 -11.009 4.171 -5.114 1.00 0.00 N ATOM 1124 CA LYS p 69 -12.448 4.356 -5.252 1.00 0.00 C ATOM 1125 C LYS p 69 -12.950 4.948 -3.946 1.00 0.00 C ATOM 1126 O LYS p 69 -14.047 5.500 -3.871 1.00 0.00 O ATOM 1127 CB LYS p 69 -13.163 3.049 -5.549 1.00 0.00 C ATOM 1128 CG LYS p 69 -13.726 2.962 -6.962 1.00 0.00 C ATOM 1129 CD LYS p 69 -15.186 3.390 -7.015 1.00 0.00 C ATOM 1130 CE LYS p 69 -15.742 3.300 -8.427 1.00 0.00 C ATOM 1131 NZ LYS p 69 -17.171 3.711 -8.489 1.00 0.00 N ATOM 0 H LYS p 69 -10.729 3.231 -4.834 1.00 0.00 H new ATOM 0 HA LYS p 69 -12.654 5.018 -6.093 1.00 0.00 H new ATOM 0 HB2 LYS p 69 -12.469 2.223 -5.393 1.00 0.00 H new ATOM 0 HB3 LYS p 69 -13.977 2.921 -4.835 1.00 0.00 H new ATOM 0 HG2 LYS p 69 -13.137 3.594 -7.627 1.00 0.00 H new ATOM 0 HG3 LYS p 69 -13.633 1.940 -7.328 1.00 0.00 H new ATOM 0 HD2 LYS p 69 -15.776 2.759 -6.350 1.00 0.00 H new ATOM 0 HD3 LYS p 69 -15.280 4.413 -6.650 1.00 0.00 H new ATOM 0 HE2 LYS p 69 -15.153 3.934 -9.090 1.00 0.00 H new ATOM 0 HE3 LYS p 69 -15.642 2.278 -8.792 1.00 0.00 H new ATOM 0 HZ1 LYS p 69 -17.512 3.635 -9.469 1.00 0.00 H new ATOM 0 HZ2 LYS p 69 -17.738 3.090 -7.876 1.00 0.00 H new ATOM 0 HZ3 LYS p 69 -17.264 4.695 -8.165 1.00 0.00 H new ATOM 1145 N LYS p 70 -12.095 4.791 -2.919 1.00 0.00 N ATOM 1146 CA LYS p 70 -12.306 5.344 -1.588 1.00 0.00 C ATOM 1147 C LYS p 70 -11.677 6.725 -1.558 1.00 0.00 C ATOM 1148 O LYS p 70 -12.033 7.572 -0.742 1.00 0.00 O ATOM 1149 CB LYS p 70 -11.669 4.467 -0.520 1.00 0.00 C ATOM 1150 CG LYS p 70 -12.668 3.722 0.354 1.00 0.00 C ATOM 1151 CD LYS p 70 -12.952 4.469 1.648 1.00 0.00 C ATOM 1152 CE LYS p 70 -13.943 3.715 2.519 1.00 0.00 C ATOM 1153 NZ LYS p 70 -14.226 4.435 3.792 1.00 0.00 N ATOM 0 H LYS p 70 -11.225 4.265 -3.003 1.00 0.00 H new ATOM 0 HA LYS p 70 -13.374 5.394 -1.378 1.00 0.00 H new ATOM 0 HB2 LYS p 70 -11.015 3.742 -1.004 1.00 0.00 H new ATOM 0 HB3 LYS p 70 -11.039 5.089 0.117 1.00 0.00 H new ATOM 0 HG2 LYS p 70 -13.598 3.581 -0.196 1.00 0.00 H new ATOM 0 HG3 LYS p 70 -12.280 2.730 0.584 1.00 0.00 H new ATOM 0 HD2 LYS p 70 -12.022 4.616 2.197 1.00 0.00 H new ATOM 0 HD3 LYS p 70 -13.347 5.459 1.419 1.00 0.00 H new ATOM 0 HE2 LYS p 70 -14.873 3.571 1.969 1.00 0.00 H new ATOM 0 HE3 LYS p 70 -13.548 2.724 2.743 1.00 0.00 H new ATOM 0 HZ1 LYS p 70 -14.906 3.887 4.357 1.00 0.00 H new ATOM 0 HZ2 LYS p 70 -13.343 4.550 4.329 1.00 0.00 H new ATOM 0 HZ3 LYS p 70 -14.627 5.371 3.580 1.00 0.00 H new ATOM 1167 N ASN p 71 -10.703 6.894 -2.466 1.00 0.00 N ATOM 1168 CA ASN p 71 -9.998 8.159 -2.677 1.00 0.00 C ATOM 1169 C ASN p 71 -10.773 8.952 -3.726 1.00 0.00 C ATOM 1170 O ASN p 71 -10.567 10.148 -3.906 1.00 0.00 O ATOM 1171 CB ASN p 71 -8.555 7.933 -3.136 1.00 0.00 C ATOM 1172 CG ASN p 71 -7.625 9.053 -2.708 1.00 0.00 C ATOM 1173 OD1 ASN p 71 -7.028 9.004 -1.633 1.00 0.00 O ATOM 1174 ND2 ASN p 71 -7.501 10.073 -3.550 1.00 0.00 N ATOM 0 H ASN p 71 -10.382 6.145 -3.079 1.00 0.00 H new ATOM 0 HA ASN p 71 -9.946 8.708 -1.737 1.00 0.00 H new ATOM 0 HB2 ASN p 71 -8.192 6.989 -2.730 1.00 0.00 H new ATOM 0 HB3 ASN p 71 -8.533 7.842 -4.222 1.00 0.00 H new ATOM 0 HD21 ASN p 71 -6.892 10.857 -3.315 1.00 0.00 H new ATOM 0 HD22 ASN p 71 -8.015 10.072 -4.431 1.00 0.00 H new ATOM 1181 N ALA p 72 -11.649 8.207 -4.423 1.00 0.00 N ATOM 1182 CA ALA p 72 -12.571 8.720 -5.428 1.00 0.00 C ATOM 1183 C ALA p 72 -13.859 9.010 -4.702 1.00 0.00 C ATOM 1184 O ALA p 72 -14.700 9.774 -5.164 1.00 0.00 O ATOM 1185 CB ALA p 72 -12.809 7.726 -6.555 1.00 0.00 C ATOM 0 H ALA p 72 -11.730 7.199 -4.291 1.00 0.00 H new ATOM 0 HA ALA p 72 -12.156 9.611 -5.900 1.00 0.00 H new ATOM 0 HB1 ALA p 72 -13.503 8.155 -7.278 1.00 0.00 H new ATOM 0 HB2 ALA p 72 -11.863 7.502 -7.048 1.00 0.00 H new ATOM 0 HB3 ALA p 72 -13.232 6.808 -6.147 1.00 0.00 H new ATOM 1191 N GLN p 73 -13.976 8.328 -3.546 1.00 0.00 N ATOM 1192 CA GLN p 73 -15.046 8.465 -2.610 1.00 0.00 C ATOM 1193 C GLN p 73 -14.703 9.653 -1.743 1.00 0.00 C ATOM 1194 O GLN p 73 -15.559 10.392 -1.281 1.00 0.00 O ATOM 1195 CB GLN p 73 -15.060 7.208 -1.780 1.00 0.00 C ATOM 1196 CG GLN p 73 -16.168 7.147 -0.790 1.00 0.00 C ATOM 1197 CD GLN p 73 -17.170 6.044 -1.066 1.00 0.00 C ATOM 1198 OE1 GLN p 73 -17.015 4.917 -0.594 1.00 0.00 O ATOM 1199 NE2 GLN p 73 -18.204 6.362 -1.835 1.00 0.00 N ATOM 0 H GLN p 73 -13.282 7.642 -3.250 1.00 0.00 H new ATOM 0 HA GLN p 73 -16.018 8.609 -3.082 1.00 0.00 H new ATOM 0 HB2 GLN p 73 -15.133 6.347 -2.445 1.00 0.00 H new ATOM 0 HB3 GLN p 73 -14.110 7.123 -1.252 1.00 0.00 H new ATOM 0 HG2 GLN p 73 -15.747 7.003 0.205 1.00 0.00 H new ATOM 0 HG3 GLN p 73 -16.688 8.105 -0.780 1.00 0.00 H new ATOM 0 HE21 GLN p 73 -18.293 7.309 -2.205 1.00 0.00 H new ATOM 0 HE22 GLN p 73 -18.910 5.660 -2.056 1.00 0.00 H new ATOM 1208 N LEU p 74 -13.394 9.736 -1.515 1.00 0.00 N ATOM 1209 CA LEU p 74 -12.752 10.817 -0.782 1.00 0.00 C ATOM 1210 C LEU p 74 -12.678 12.025 -1.696 1.00 0.00 C ATOM 1211 O LEU p 74 -12.731 13.149 -1.256 1.00 0.00 O ATOM 1212 CB LEU p 74 -11.350 10.400 -0.343 1.00 0.00 C ATOM 1213 CG LEU p 74 -10.723 11.183 0.814 1.00 0.00 C ATOM 1214 CD1 LEU p 74 -11.311 10.769 2.161 1.00 0.00 C ATOM 1215 CD2 LEU p 74 -9.228 10.957 0.791 1.00 0.00 C ATOM 0 H LEU p 74 -12.735 9.031 -1.846 1.00 0.00 H new ATOM 0 HA LEU p 74 -13.326 11.057 0.113 1.00 0.00 H new ATOM 0 HB2 LEU p 74 -11.382 9.347 -0.062 1.00 0.00 H new ATOM 0 HB3 LEU p 74 -10.687 10.480 -1.205 1.00 0.00 H new ATOM 0 HG LEU p 74 -10.944 12.243 0.687 1.00 0.00 H new ATOM 0 HD11 LEU p 74 -10.841 11.347 2.956 1.00 0.00 H new ATOM 0 HD12 LEU p 74 -12.385 10.957 2.162 1.00 0.00 H new ATOM 0 HD13 LEU p 74 -11.128 9.707 2.327 1.00 0.00 H new ATOM 0 HD21 LEU p 74 -8.764 11.508 1.609 1.00 0.00 H new ATOM 0 HD22 LEU p 74 -9.019 9.893 0.905 1.00 0.00 H new ATOM 0 HD23 LEU p 74 -8.822 11.307 -0.158 1.00 0.00 H new ATOM 1227 N LYS p 75 -12.592 11.738 -2.992 1.00 0.00 N ATOM 1228 CA LYS p 75 -12.574 12.755 -4.039 1.00 0.00 C ATOM 1229 C LYS p 75 -14.013 13.113 -4.312 1.00 0.00 C ATOM 1230 O LYS p 75 -14.332 14.167 -4.869 1.00 0.00 O ATOM 1231 CB LYS p 75 -11.910 12.228 -5.304 1.00 0.00 C ATOM 1232 CG LYS p 75 -10.681 13.009 -5.739 1.00 0.00 C ATOM 1233 CD LYS p 75 -10.945 13.808 -7.005 1.00 0.00 C ATOM 1234 CE LYS p 75 -9.715 14.588 -7.438 1.00 0.00 C ATOM 1235 NZ LYS p 75 -9.964 15.378 -8.675 1.00 0.00 N ATOM 0 H LYS p 75 -12.532 10.784 -3.348 1.00 0.00 H new ATOM 0 HA LYS p 75 -12.000 13.625 -3.721 1.00 0.00 H new ATOM 0 HB2 LYS p 75 -11.627 11.187 -5.145 1.00 0.00 H new ATOM 0 HB3 LYS p 75 -12.639 12.240 -6.114 1.00 0.00 H new ATOM 0 HG2 LYS p 75 -10.376 13.684 -4.939 1.00 0.00 H new ATOM 0 HG3 LYS p 75 -9.853 12.321 -5.908 1.00 0.00 H new ATOM 0 HD2 LYS p 75 -11.250 13.134 -7.805 1.00 0.00 H new ATOM 0 HD3 LYS p 75 -11.773 14.497 -6.836 1.00 0.00 H new ATOM 0 HE2 LYS p 75 -9.409 15.258 -6.635 1.00 0.00 H new ATOM 0 HE3 LYS p 75 -8.889 13.898 -7.609 1.00 0.00 H new ATOM 0 HZ1 LYS p 75 -9.100 15.895 -8.936 1.00 0.00 H new ATOM 0 HZ2 LYS p 75 -10.231 14.736 -9.449 1.00 0.00 H new ATOM 0 HZ3 LYS p 75 -10.735 16.055 -8.505 1.00 0.00 H new ATOM 1249 N LYS p 76 -14.871 12.177 -3.891 1.00 0.00 N ATOM 1250 CA LYS p 76 -16.316 12.339 -3.972 1.00 0.00 C ATOM 1251 C LYS p 76 -16.769 13.028 -2.708 1.00 0.00 C ATOM 1252 O LYS p 76 -17.732 13.801 -2.709 1.00 0.00 O ATOM 1253 CB LYS p 76 -17.020 10.999 -4.128 1.00 0.00 C ATOM 1254 CG LYS p 76 -17.567 10.741 -5.523 1.00 0.00 C ATOM 1255 CD LYS p 76 -19.028 11.151 -5.641 1.00 0.00 C ATOM 1256 CE LYS p 76 -19.571 10.882 -7.034 1.00 0.00 C ATOM 1257 NZ LYS p 76 -21.007 11.260 -7.153 1.00 0.00 N ATOM 0 H LYS p 76 -14.577 11.288 -3.486 1.00 0.00 H new ATOM 0 HA LYS p 76 -16.571 12.933 -4.850 1.00 0.00 H new ATOM 0 HB2 LYS p 76 -16.322 10.202 -3.871 1.00 0.00 H new ATOM 0 HB3 LYS p 76 -17.841 10.947 -3.413 1.00 0.00 H new ATOM 0 HG2 LYS p 76 -16.975 11.292 -6.254 1.00 0.00 H new ATOM 0 HG3 LYS p 76 -17.466 9.683 -5.763 1.00 0.00 H new ATOM 0 HD2 LYS p 76 -19.621 10.605 -4.907 1.00 0.00 H new ATOM 0 HD3 LYS p 76 -19.129 12.211 -5.408 1.00 0.00 H new ATOM 0 HE2 LYS p 76 -18.987 11.440 -7.765 1.00 0.00 H new ATOM 0 HE3 LYS p 76 -19.453 9.825 -7.272 1.00 0.00 H new ATOM 0 HZ1 LYS p 76 -21.340 11.061 -8.118 1.00 0.00 H new ATOM 0 HZ2 LYS p 76 -21.569 10.709 -6.473 1.00 0.00 H new ATOM 0 HZ3 LYS p 76 -21.117 12.274 -6.951 1.00 0.00 H new ATOM 1271 N LYS p 77 -16.046 12.725 -1.623 1.00 0.00 N ATOM 1272 CA LYS p 77 -16.290 13.348 -0.338 1.00 0.00 C ATOM 1273 C LYS p 77 -15.515 14.660 -0.249 1.00 0.00 C ATOM 1274 O LYS p 77 -15.788 15.495 0.617 1.00 0.00 O ATOM 1275 CB LYS p 77 -15.896 12.413 0.796 1.00 0.00 C ATOM 1276 CG LYS p 77 -17.041 11.556 1.305 1.00 0.00 C ATOM 1277 CD LYS p 77 -16.692 10.883 2.625 1.00 0.00 C ATOM 1278 CE LYS p 77 -17.846 10.039 3.152 1.00 0.00 C ATOM 1279 NZ LYS p 77 -18.955 10.876 3.692 1.00 0.00 N ATOM 0 H LYS p 77 -15.285 12.046 -1.621 1.00 0.00 H new ATOM 0 HA LYS p 77 -17.355 13.559 -0.243 1.00 0.00 H new ATOM 0 HB2 LYS p 77 -15.090 11.763 0.456 1.00 0.00 H new ATOM 0 HB3 LYS p 77 -15.501 13.004 1.622 1.00 0.00 H new ATOM 0 HG2 LYS p 77 -17.929 12.174 1.435 1.00 0.00 H new ATOM 0 HG3 LYS p 77 -17.286 10.797 0.562 1.00 0.00 H new ATOM 0 HD2 LYS p 77 -15.813 10.253 2.491 1.00 0.00 H new ATOM 0 HD3 LYS p 77 -16.431 11.642 3.362 1.00 0.00 H new ATOM 0 HE2 LYS p 77 -18.227 9.407 2.350 1.00 0.00 H new ATOM 0 HE3 LYS p 77 -17.480 9.375 3.935 1.00 0.00 H new ATOM 0 HZ1 LYS p 77 -19.710 10.260 4.055 1.00 0.00 H new ATOM 0 HZ2 LYS p 77 -18.595 11.473 4.464 1.00 0.00 H new ATOM 0 HZ3 LYS p 77 -19.335 11.480 2.935 1.00 0.00 H new ATOM 1293 N LEU p 78 -14.536 14.821 -1.164 1.00 0.00 N ATOM 1294 CA LEU p 78 -13.717 16.034 -1.250 1.00 0.00 C ATOM 1295 C LEU p 78 -14.573 17.294 -1.449 1.00 0.00 C ATOM 1296 O LEU p 78 -14.540 18.223 -0.637 1.00 0.00 O ATOM 1297 CB LEU p 78 -12.704 15.850 -2.400 1.00 0.00 C ATOM 1298 CG LEU p 78 -11.889 17.073 -2.830 1.00 0.00 C ATOM 1299 CD1 LEU p 78 -10.942 17.488 -1.726 1.00 0.00 C ATOM 1300 CD2 LEU p 78 -11.132 16.757 -4.105 1.00 0.00 C ATOM 0 H LEU p 78 -14.297 14.113 -1.858 1.00 0.00 H new ATOM 0 HA LEU p 78 -13.187 16.180 -0.309 1.00 0.00 H new ATOM 0 HB2 LEU p 78 -12.005 15.066 -2.109 1.00 0.00 H new ATOM 0 HB3 LEU p 78 -13.248 15.485 -3.271 1.00 0.00 H new ATOM 0 HG LEU p 78 -12.564 17.907 -3.023 1.00 0.00 H new ATOM 0 HD11 LEU p 78 -10.369 18.358 -2.046 1.00 0.00 H new ATOM 0 HD12 LEU p 78 -11.513 17.738 -0.832 1.00 0.00 H new ATOM 0 HD13 LEU p 78 -10.260 16.667 -1.504 1.00 0.00 H new ATOM 0 HD21 LEU p 78 -10.553 17.629 -4.410 1.00 0.00 H new ATOM 0 HD22 LEU p 78 -10.460 15.917 -3.930 1.00 0.00 H new ATOM 0 HD23 LEU p 78 -11.839 16.498 -4.893 1.00 0.00 H new ATOM 1312 N GLN p 79 -15.322 17.288 -2.538 1.00 0.00 N ATOM 1313 CA GLN p 79 -16.212 18.380 -2.918 1.00 0.00 C ATOM 1314 C GLN p 79 -17.570 18.280 -2.224 1.00 0.00 C ATOM 1315 O GLN p 79 -18.129 19.285 -1.774 1.00 0.00 O ATOM 1316 CB GLN p 79 -16.400 18.402 -4.444 1.00 0.00 C ATOM 1317 CG GLN p 79 -16.451 17.029 -5.120 1.00 0.00 C ATOM 1318 CD GLN p 79 -16.647 17.126 -6.620 1.00 0.00 C ATOM 1319 OE1 GLN p 79 -15.683 17.194 -7.381 1.00 0.00 O ATOM 1320 NE2 GLN p 79 -17.903 17.131 -7.052 1.00 0.00 N ATOM 0 H GLN p 79 -15.331 16.510 -3.198 1.00 0.00 H new ATOM 0 HA GLN p 79 -15.745 19.311 -2.595 1.00 0.00 H new ATOM 0 HB2 GLN p 79 -17.323 18.935 -4.672 1.00 0.00 H new ATOM 0 HB3 GLN p 79 -15.585 18.975 -4.885 1.00 0.00 H new ATOM 0 HG2 GLN p 79 -15.526 16.491 -4.912 1.00 0.00 H new ATOM 0 HG3 GLN p 79 -17.264 16.445 -4.688 1.00 0.00 H new ATOM 0 HE21 GLN p 79 -18.672 17.073 -6.385 1.00 0.00 H new ATOM 0 HE22 GLN p 79 -18.098 17.193 -8.051 1.00 0.00 H new ATOM 1329 N ALA p 80 -18.074 17.056 -2.153 1.00 0.00 N ATOM 1330 CA ALA p 80 -19.365 16.766 -1.528 1.00 0.00 C ATOM 1331 C ALA p 80 -19.191 16.324 -0.074 1.00 0.00 C ATOM 1332 O ALA p 80 -18.556 15.272 0.160 1.00 0.00 O ATOM 1333 CB ALA p 80 -20.116 15.709 -2.329 1.00 0.00 C ATOM 1334 OXT ALA p 80 -19.692 17.037 0.821 1.00 0.00 O ATOM 0 H ALA p 80 -17.602 16.232 -2.526 1.00 0.00 H new ATOM 0 HA ALA p 80 -19.954 17.683 -1.526 1.00 0.00 H new ATOM 0 HB1 ALA p 80 -21.074 15.504 -1.852 1.00 0.00 H new ATOM 0 HB2 ALA p 80 -20.286 16.073 -3.342 1.00 0.00 H new ATOM 0 HB3 ALA p 80 -19.526 14.793 -2.366 1.00 0.00 H new