USER MOD reduce.3.24.130724 H: found=0, std=0, add=523, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 525 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: p 11 ASN : amide:sc= -0.121 K(o=-0.14,f=-1.4!) USER MOD Set 1.2: p 71 ASN : amide:sc= -0.0184 K(o=-0.14,f=-1.4) USER MOD Set 2.1: p 20 LYS NZ :NH3+ -174:sc= 0.111 (180deg=0) USER MOD Set 2.2: p 24 GLN : amide:sc= -0.739 K(o=-0.63,f=-3.9!) USER MOD Single : p 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : p 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : p 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : p 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 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+ 178:sc= 0 (180deg=-0.00343) 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 -6.082 20.130 6.154 1.00 0.00 N ATOM 38 CA ALA p 3 -6.931 19.060 6.682 1.00 0.00 C ATOM 39 C ALA p 3 -7.226 17.996 5.640 1.00 0.00 C ATOM 40 O ALA p 3 -7.284 16.810 5.947 1.00 0.00 O ATOM 41 CB ALA p 3 -8.226 19.639 7.238 1.00 0.00 C ATOM 0 HA ALA p 3 -6.381 18.575 7.489 1.00 0.00 H new ATOM 0 HB1 ALA p 3 -8.848 18.833 7.627 1.00 0.00 H new ATOM 0 HB2 ALA p 3 -7.996 20.340 8.041 1.00 0.00 H new ATOM 0 HB3 ALA p 3 -8.762 20.160 6.444 1.00 0.00 H new ATOM 47 N LEU p 4 -7.468 18.474 4.429 1.00 0.00 N ATOM 48 CA LEU p 4 -7.794 17.676 3.274 1.00 0.00 C ATOM 49 C LEU p 4 -6.542 17.395 2.463 1.00 0.00 C ATOM 50 O LEU p 4 -6.132 16.253 2.289 1.00 0.00 O ATOM 51 CB LEU p 4 -8.821 18.455 2.451 1.00 0.00 C ATOM 52 CG LEU p 4 -9.689 17.646 1.502 1.00 0.00 C ATOM 53 CD1 LEU p 4 -10.988 18.385 1.302 1.00 0.00 C ATOM 54 CD2 LEU p 4 -8.977 17.445 0.175 1.00 0.00 C ATOM 0 H LEU p 4 -7.439 19.473 4.224 1.00 0.00 H new ATOM 0 HA LEU p 4 -8.210 16.713 3.571 1.00 0.00 H new ATOM 0 HB2 LEU p 4 -9.476 18.988 3.140 1.00 0.00 H new ATOM 0 HB3 LEU p 4 -8.290 19.208 1.869 1.00 0.00 H new ATOM 0 HG LEU p 4 -9.886 16.661 1.924 1.00 0.00 H new ATOM 0 HD11 LEU p 4 -11.627 17.821 0.623 1.00 0.00 H new ATOM 0 HD12 LEU p 4 -11.492 18.501 2.262 1.00 0.00 H new ATOM 0 HD13 LEU p 4 -10.786 19.368 0.877 1.00 0.00 H new ATOM 0 HD21 LEU p 4 -9.612 16.864 -0.494 1.00 0.00 H new ATOM 0 HD22 LEU p 4 -8.767 18.415 -0.276 1.00 0.00 H new ATOM 0 HD23 LEU p 4 -8.041 16.912 0.341 1.00 0.00 H new ATOM 66 N GLU p 5 -5.967 18.495 1.973 1.00 0.00 N ATOM 67 CA GLU p 5 -4.744 18.503 1.144 1.00 0.00 C ATOM 68 C GLU p 5 -3.565 17.862 1.850 1.00 0.00 C ATOM 69 O GLU p 5 -2.692 17.290 1.201 1.00 0.00 O ATOM 70 CB GLU p 5 -4.358 19.930 0.744 1.00 0.00 C ATOM 71 CG GLU p 5 -5.543 20.854 0.525 1.00 0.00 C ATOM 72 CD GLU p 5 -5.530 21.519 -0.838 1.00 0.00 C ATOM 73 OE1 GLU p 5 -6.101 20.940 -1.786 1.00 0.00 O ATOM 74 OE2 GLU p 5 -4.951 22.619 -0.957 1.00 0.00 O ATOM 0 H GLU p 5 -6.341 19.429 2.141 1.00 0.00 H new ATOM 0 HA GLU p 5 -4.978 17.918 0.255 1.00 0.00 H new ATOM 0 HB2 GLU p 5 -3.719 20.353 1.519 1.00 0.00 H new ATOM 0 HB3 GLU p 5 -3.766 19.892 -0.171 1.00 0.00 H new ATOM 0 HG2 GLU p 5 -6.466 20.285 0.637 1.00 0.00 H new ATOM 0 HG3 GLU p 5 -5.546 21.622 1.298 1.00 0.00 H new ATOM 81 N LYS p 6 -3.544 17.994 3.172 1.00 0.00 N ATOM 82 CA LYS p 6 -2.483 17.402 3.996 1.00 0.00 C ATOM 83 C LYS p 6 -2.889 16.009 4.459 1.00 0.00 C ATOM 84 O LYS p 6 -2.076 15.271 5.001 1.00 0.00 O ATOM 85 CB LYS p 6 -2.117 18.276 5.183 1.00 0.00 C ATOM 86 CG LYS p 6 -0.977 19.247 4.897 1.00 0.00 C ATOM 87 CD LYS p 6 -0.332 19.749 6.180 1.00 0.00 C ATOM 88 CE LYS p 6 0.906 20.584 5.889 1.00 0.00 C ATOM 89 NZ LYS p 6 1.650 20.926 7.132 1.00 0.00 N ATOM 0 H LYS p 6 -4.249 18.506 3.702 1.00 0.00 H new ATOM 0 HA LYS p 6 -1.592 17.326 3.372 1.00 0.00 H new ATOM 0 HB2 LYS p 6 -2.996 18.842 5.492 1.00 0.00 H new ATOM 0 HB3 LYS p 6 -1.838 17.638 6.021 1.00 0.00 H new ATOM 0 HG2 LYS p 6 -0.225 18.755 4.280 1.00 0.00 H new ATOM 0 HG3 LYS p 6 -1.355 20.094 4.324 1.00 0.00 H new ATOM 0 HD2 LYS p 6 -1.051 20.345 6.741 1.00 0.00 H new ATOM 0 HD3 LYS p 6 -0.061 18.901 6.809 1.00 0.00 H new ATOM 0 HE2 LYS p 6 1.562 20.037 5.212 1.00 0.00 H new ATOM 0 HE3 LYS p 6 0.613 21.501 5.377 1.00 0.00 H new ATOM 0 HZ1 LYS p 6 2.486 21.495 6.891 1.00 0.00 H new ATOM 0 HZ2 LYS p 6 1.032 21.470 7.768 1.00 0.00 H new ATOM 0 HZ3 LYS p 6 1.952 20.052 7.608 1.00 0.00 H new ATOM 103 N GLU p 7 -4.175 15.700 4.258 1.00 0.00 N ATOM 104 CA GLU p 7 -4.761 14.389 4.532 1.00 0.00 C ATOM 105 C GLU p 7 -4.586 13.578 3.248 1.00 0.00 C ATOM 106 O GLU p 7 -4.617 12.350 3.229 1.00 0.00 O ATOM 107 CB GLU p 7 -6.238 14.569 4.895 1.00 0.00 C ATOM 108 CG GLU p 7 -7.154 13.428 4.489 1.00 0.00 C ATOM 109 CD GLU p 7 -7.874 12.799 5.666 1.00 0.00 C ATOM 110 OE1 GLU p 7 -8.982 13.268 6.004 1.00 0.00 O ATOM 111 OE2 GLU p 7 -7.329 11.839 6.251 1.00 0.00 O ATOM 0 H GLU p 7 -4.850 16.372 3.892 1.00 0.00 H new ATOM 0 HA GLU p 7 -4.286 13.877 5.369 1.00 0.00 H new ATOM 0 HB2 GLU p 7 -6.315 14.708 5.973 1.00 0.00 H new ATOM 0 HB3 GLU p 7 -6.600 15.486 4.429 1.00 0.00 H new ATOM 0 HG2 GLU p 7 -7.890 13.797 3.775 1.00 0.00 H new ATOM 0 HG3 GLU p 7 -6.569 12.664 3.978 1.00 0.00 H new ATOM 118 N LEU p 8 -4.410 14.372 2.196 1.00 0.00 N ATOM 119 CA LEU p 8 -4.169 13.971 0.832 1.00 0.00 C ATOM 120 C LEU p 8 -2.668 13.853 0.676 1.00 0.00 C ATOM 121 O LEU p 8 -2.164 13.003 -0.049 1.00 0.00 O ATOM 122 CB LEU p 8 -4.703 15.078 -0.080 1.00 0.00 C ATOM 123 CG LEU p 8 -5.019 14.745 -1.539 1.00 0.00 C ATOM 124 CD1 LEU p 8 -5.534 16.004 -2.187 1.00 0.00 C ATOM 125 CD2 LEU p 8 -3.796 14.240 -2.294 1.00 0.00 C ATOM 0 H LEU p 8 -4.436 15.387 2.293 1.00 0.00 H new ATOM 0 HA LEU p 8 -4.655 13.028 0.580 1.00 0.00 H new ATOM 0 HB2 LEU p 8 -5.614 15.468 0.374 1.00 0.00 H new ATOM 0 HB3 LEU p 8 -3.973 15.888 -0.077 1.00 0.00 H new ATOM 0 HG LEU p 8 -5.759 13.945 -1.570 1.00 0.00 H new ATOM 0 HD11 LEU p 8 -5.771 15.805 -3.232 1.00 0.00 H new ATOM 0 HD12 LEU p 8 -6.433 16.339 -1.669 1.00 0.00 H new ATOM 0 HD13 LEU p 8 -4.772 16.781 -2.130 1.00 0.00 H new ATOM 0 HD21 LEU p 8 -4.071 14.017 -3.325 1.00 0.00 H new ATOM 0 HD22 LEU p 8 -3.020 15.005 -2.283 1.00 0.00 H new ATOM 0 HD23 LEU p 8 -3.421 13.336 -1.815 1.00 0.00 H new ATOM 137 N ALA p 9 -1.992 14.784 1.362 1.00 0.00 N ATOM 138 CA ALA p 9 -0.530 14.837 1.441 1.00 0.00 C ATOM 139 C ALA p 9 -0.083 13.801 2.460 1.00 0.00 C ATOM 140 O ALA p 9 1.077 13.382 2.494 1.00 0.00 O ATOM 141 CB ALA p 9 -0.014 16.220 1.818 1.00 0.00 C ATOM 0 H ALA p 9 -2.453 15.530 1.883 1.00 0.00 H new ATOM 0 HA ALA p 9 -0.114 14.620 0.457 1.00 0.00 H new ATOM 0 HB1 ALA p 9 1.075 16.202 1.862 1.00 0.00 H new ATOM 0 HB2 ALA p 9 -0.335 16.945 1.070 1.00 0.00 H new ATOM 0 HB3 ALA p 9 -0.412 16.504 2.792 1.00 0.00 H new ATOM 147 N GLN p 10 -1.062 13.410 3.292 1.00 0.00 N ATOM 148 CA GLN p 10 -0.909 12.374 4.290 1.00 0.00 C ATOM 149 C GLN p 10 -1.293 11.077 3.608 1.00 0.00 C ATOM 150 O GLN p 10 -0.804 10.022 3.953 1.00 0.00 O ATOM 151 CB GLN p 10 -1.800 12.675 5.499 1.00 0.00 C ATOM 152 CG GLN p 10 -2.342 11.462 6.237 1.00 0.00 C ATOM 153 CD GLN p 10 -1.757 11.307 7.626 1.00 0.00 C ATOM 154 OE1 GLN p 10 -2.297 11.828 8.602 1.00 0.00 O ATOM 155 NE2 GLN p 10 -0.643 10.589 7.724 1.00 0.00 N ATOM 0 H GLN p 10 -1.995 13.822 3.278 1.00 0.00 H new ATOM 0 HA GLN p 10 0.111 12.313 4.670 1.00 0.00 H new ATOM 0 HB2 GLN p 10 -1.232 13.282 6.204 1.00 0.00 H new ATOM 0 HB3 GLN p 10 -2.643 13.280 5.164 1.00 0.00 H new ATOM 0 HG2 GLN p 10 -3.426 11.543 6.312 1.00 0.00 H new ATOM 0 HG3 GLN p 10 -2.129 10.565 5.656 1.00 0.00 H new ATOM 0 HE21 GLN p 10 -0.228 10.174 6.889 1.00 0.00 H new ATOM 0 HE22 GLN p 10 -0.203 10.452 8.634 1.00 0.00 H new ATOM 164 N ASN p 11 -2.186 11.237 2.619 1.00 0.00 N ATOM 165 CA ASN p 11 -2.675 10.157 1.754 1.00 0.00 C ATOM 166 C ASN p 11 -1.640 9.951 0.668 1.00 0.00 C ATOM 167 O ASN p 11 -1.625 8.932 -0.015 1.00 0.00 O ATOM 168 CB ASN p 11 -4.032 10.496 1.125 1.00 0.00 C ATOM 169 CG ASN p 11 -4.873 9.266 0.802 1.00 0.00 C ATOM 170 OD1 ASN p 11 -4.809 8.247 1.495 1.00 0.00 O ATOM 171 ND2 ASN p 11 -5.671 9.361 -0.255 1.00 0.00 N ATOM 0 H ASN p 11 -2.597 12.143 2.395 1.00 0.00 H new ATOM 0 HA ASN p 11 -2.820 9.253 2.346 1.00 0.00 H new ATOM 0 HB2 ASN p 11 -4.589 11.140 1.806 1.00 0.00 H new ATOM 0 HB3 ASN p 11 -3.868 11.066 0.210 1.00 0.00 H new ATOM 0 HD21 ASN p 11 -6.261 8.573 -0.521 1.00 0.00 H new ATOM 0 HD22 ASN p 11 -5.694 10.222 -0.801 1.00 0.00 H new ATOM 178 N GLU p 12 -0.802 10.991 0.530 1.00 0.00 N ATOM 179 CA GLU p 12 0.325 11.036 -0.348 1.00 0.00 C ATOM 180 C GLU p 12 1.459 10.402 0.422 1.00 0.00 C ATOM 181 O GLU p 12 2.383 9.818 -0.129 1.00 0.00 O ATOM 182 CB GLU p 12 0.625 12.487 -0.603 1.00 0.00 C ATOM 183 CG GLU p 12 1.801 12.717 -1.487 1.00 0.00 C ATOM 184 CD GLU p 12 1.461 13.446 -2.772 1.00 0.00 C ATOM 185 OE1 GLU p 12 1.137 12.770 -3.771 1.00 0.00 O ATOM 186 OE2 GLU p 12 1.517 14.694 -2.779 1.00 0.00 O ATOM 0 H GLU p 12 -0.918 11.853 1.063 1.00 0.00 H new ATOM 0 HA GLU p 12 0.164 10.525 -1.297 1.00 0.00 H new ATOM 0 HB2 GLU p 12 -0.251 12.955 -1.052 1.00 0.00 H new ATOM 0 HB3 GLU p 12 0.798 12.985 0.351 1.00 0.00 H new ATOM 0 HG2 GLU p 12 2.549 13.291 -0.940 1.00 0.00 H new ATOM 0 HG3 GLU p 12 2.254 11.756 -1.733 1.00 0.00 H new ATOM 193 N TRP p 13 1.330 10.623 1.724 1.00 0.00 N ATOM 194 CA TRP p 13 2.219 10.090 2.751 1.00 0.00 C ATOM 195 C TRP p 13 1.805 8.655 3.083 1.00 0.00 C ATOM 196 O TRP p 13 2.600 7.884 3.611 1.00 0.00 O ATOM 197 CB TRP p 13 2.204 10.959 4.010 1.00 0.00 C ATOM 198 CG TRP p 13 3.477 10.885 4.806 1.00 0.00 C ATOM 199 CD1 TRP p 13 3.751 10.021 5.828 1.00 0.00 C ATOM 200 CD2 TRP p 13 4.649 11.702 4.648 1.00 0.00 C ATOM 201 NE1 TRP p 13 5.014 10.250 6.316 1.00 0.00 N ATOM 202 CE2 TRP p 13 5.585 11.276 5.609 1.00 0.00 C ATOM 203 CE3 TRP p 13 4.998 12.753 3.790 1.00 0.00 C ATOM 204 CZ2 TRP p 13 6.844 11.859 5.735 1.00 0.00 C ATOM 205 CZ3 TRP p 13 6.248 13.331 3.917 1.00 0.00 C ATOM 206 CH2 TRP p 13 7.158 12.882 4.882 1.00 0.00 C ATOM 0 H TRP p 13 0.579 11.197 2.108 1.00 0.00 H new ATOM 0 HA TRP p 13 3.239 10.095 2.366 1.00 0.00 H new ATOM 0 HB2 TRP p 13 2.023 11.995 3.724 1.00 0.00 H new ATOM 0 HB3 TRP p 13 1.371 10.653 4.643 1.00 0.00 H new ATOM 0 HD1 TRP p 13 3.072 9.267 6.199 1.00 0.00 H new ATOM 0 HE1 TRP p 13 5.456 9.739 7.081 1.00 0.00 H new ATOM 0 HE3 TRP p 13 4.303 13.106 3.042 1.00 0.00 H new ATOM 0 HZ2 TRP p 13 7.547 11.516 6.479 1.00 0.00 H new ATOM 0 HZ3 TRP p 13 6.527 14.142 3.261 1.00 0.00 H new ATOM 0 HH2 TRP p 13 8.127 13.353 4.955 1.00 0.00 H new ATOM 217 N GLU p 14 0.528 8.343 2.785 1.00 0.00 N ATOM 218 CA GLU p 14 -0.039 6.982 2.950 1.00 0.00 C ATOM 219 C GLU p 14 0.152 6.286 1.638 1.00 0.00 C ATOM 220 O GLU p 14 0.056 5.071 1.524 1.00 0.00 O ATOM 221 CB GLU p 14 -1.524 6.968 3.299 1.00 0.00 C ATOM 222 CG GLU p 14 -1.847 7.831 4.482 1.00 0.00 C ATOM 223 CD GLU p 14 -2.767 7.162 5.484 1.00 0.00 C ATOM 224 OE1 GLU p 14 -4.001 7.294 5.338 1.00 0.00 O ATOM 225 OE2 GLU p 14 -2.255 6.505 6.415 1.00 0.00 O ATOM 0 H GLU p 14 -0.141 9.023 2.424 1.00 0.00 H new ATOM 0 HA GLU p 14 0.470 6.496 3.782 1.00 0.00 H new ATOM 0 HB2 GLU p 14 -2.099 7.309 2.438 1.00 0.00 H new ATOM 0 HB3 GLU p 14 -1.835 5.944 3.505 1.00 0.00 H new ATOM 0 HG2 GLU p 14 -0.920 8.111 4.982 1.00 0.00 H new ATOM 0 HG3 GLU p 14 -2.312 8.753 4.133 1.00 0.00 H new ATOM 232 N LEU p 15 0.357 7.151 0.652 1.00 0.00 N ATOM 233 CA LEU p 15 0.677 6.790 -0.722 1.00 0.00 C ATOM 234 C LEU p 15 2.159 6.482 -0.728 1.00 0.00 C ATOM 235 O LEU p 15 2.624 5.569 -1.384 1.00 0.00 O ATOM 236 CB LEU p 15 0.390 7.969 -1.643 1.00 0.00 C ATOM 237 CG LEU p 15 0.203 7.703 -3.135 1.00 0.00 C ATOM 238 CD1 LEU p 15 -0.099 9.025 -3.790 1.00 0.00 C ATOM 239 CD2 LEU p 15 1.441 7.083 -3.763 1.00 0.00 C ATOM 0 H LEU p 15 0.303 8.160 0.793 1.00 0.00 H new ATOM 0 HA LEU p 15 0.086 5.943 -1.069 1.00 0.00 H new ATOM 0 HB2 LEU p 15 -0.512 8.461 -1.279 1.00 0.00 H new ATOM 0 HB3 LEU p 15 1.208 8.681 -1.534 1.00 0.00 H new ATOM 0 HG LEU p 15 -0.610 6.991 -3.278 1.00 0.00 H new ATOM 0 HD11 LEU p 15 -0.240 8.877 -4.861 1.00 0.00 H new ATOM 0 HD12 LEU p 15 -1.008 9.445 -3.359 1.00 0.00 H new ATOM 0 HD13 LEU p 15 0.732 9.711 -3.625 1.00 0.00 H new ATOM 0 HD21 LEU p 15 1.263 6.911 -4.825 1.00 0.00 H new ATOM 0 HD22 LEU p 15 2.288 7.759 -3.642 1.00 0.00 H new ATOM 0 HD23 LEU p 15 1.661 6.134 -3.274 1.00 0.00 H new ATOM 251 N GLN p 16 2.858 7.313 0.041 1.00 0.00 N ATOM 252 CA GLN p 16 4.263 7.237 0.305 1.00 0.00 C ATOM 253 C GLN p 16 4.503 6.059 1.221 1.00 0.00 C ATOM 254 O GLN p 16 5.548 5.435 1.195 1.00 0.00 O ATOM 255 CB GLN p 16 4.628 8.512 1.015 1.00 0.00 C ATOM 256 CG GLN p 16 6.083 8.679 1.241 1.00 0.00 C ATOM 257 CD GLN p 16 6.681 9.859 0.499 1.00 0.00 C ATOM 258 OE1 GLN p 16 6.733 10.973 1.020 1.00 0.00 O ATOM 259 NE2 GLN p 16 7.136 9.619 -0.726 1.00 0.00 N ATOM 0 H GLN p 16 2.417 8.099 0.518 1.00 0.00 H new ATOM 0 HA GLN p 16 4.853 7.114 -0.603 1.00 0.00 H new ATOM 0 HB2 GLN p 16 4.261 9.358 0.433 1.00 0.00 H new ATOM 0 HB3 GLN p 16 4.115 8.540 1.977 1.00 0.00 H new ATOM 0 HG2 GLN p 16 6.265 8.802 2.309 1.00 0.00 H new ATOM 0 HG3 GLN p 16 6.597 7.768 0.933 1.00 0.00 H new ATOM 0 HE21 GLN p 16 7.073 8.680 -1.119 1.00 0.00 H new ATOM 0 HE22 GLN p 16 7.549 10.374 -1.274 1.00 0.00 H new ATOM 268 N ALA p 17 3.509 5.883 2.084 1.00 0.00 N ATOM 269 CA ALA p 17 3.425 4.768 3.035 1.00 0.00 C ATOM 270 C ALA p 17 2.878 3.555 2.304 1.00 0.00 C ATOM 271 O ALA p 17 3.004 2.427 2.768 1.00 0.00 O ATOM 272 CB ALA p 17 2.561 5.092 4.243 1.00 0.00 C ATOM 0 H ALA p 17 2.718 6.524 2.148 1.00 0.00 H new ATOM 0 HA ALA p 17 4.425 4.569 3.419 1.00 0.00 H new ATOM 0 HB1 ALA p 17 2.534 4.232 4.912 1.00 0.00 H new ATOM 0 HB2 ALA p 17 2.979 5.949 4.770 1.00 0.00 H new ATOM 0 HB3 ALA p 17 1.549 5.327 3.914 1.00 0.00 H new ATOM 278 N LEU p 18 2.244 3.845 1.152 1.00 0.00 N ATOM 279 CA LEU p 18 1.712 2.839 0.234 1.00 0.00 C ATOM 280 C LEU p 18 2.863 2.384 -0.601 1.00 0.00 C ATOM 281 O LEU p 18 2.977 1.231 -0.975 1.00 0.00 O ATOM 282 CB LEU p 18 0.675 3.453 -0.676 1.00 0.00 C ATOM 283 CG LEU p 18 -0.571 2.647 -0.919 1.00 0.00 C ATOM 284 CD1 LEU p 18 -1.437 2.696 0.319 1.00 0.00 C ATOM 285 CD2 LEU p 18 -1.273 3.232 -2.116 1.00 0.00 C ATOM 0 H LEU p 18 2.088 4.802 0.835 1.00 0.00 H new ATOM 0 HA LEU p 18 1.248 2.022 0.787 1.00 0.00 H new ATOM 0 HB2 LEU p 18 0.382 4.416 -0.257 1.00 0.00 H new ATOM 0 HB3 LEU p 18 1.144 3.654 -1.639 1.00 0.00 H new ATOM 0 HG LEU p 18 -0.341 1.601 -1.122 1.00 0.00 H new ATOM 0 HD11 LEU p 18 -2.343 2.114 0.152 1.00 0.00 H new ATOM 0 HD12 LEU p 18 -0.888 2.279 1.164 1.00 0.00 H new ATOM 0 HD13 LEU p 18 -1.705 3.730 0.535 1.00 0.00 H new ATOM 0 HD21 LEU p 18 -2.183 2.666 -2.317 1.00 0.00 H new ATOM 0 HD22 LEU p 18 -1.529 4.272 -1.915 1.00 0.00 H new ATOM 0 HD23 LEU p 18 -0.616 3.182 -2.984 1.00 0.00 H new ATOM 297 N GLU p 19 3.671 3.393 -0.914 1.00 0.00 N ATOM 298 CA GLU p 19 4.949 3.231 -1.633 1.00 0.00 C ATOM 299 C GLU p 19 5.895 2.593 -0.657 1.00 0.00 C ATOM 300 O GLU p 19 6.589 1.653 -0.947 1.00 0.00 O ATOM 301 CB GLU p 19 5.557 4.559 -2.099 1.00 0.00 C ATOM 302 CG GLU p 19 4.674 5.348 -3.030 1.00 0.00 C ATOM 303 CD GLU p 19 5.163 5.340 -4.466 1.00 0.00 C ATOM 304 OE1 GLU p 19 5.957 6.233 -4.828 1.00 0.00 O ATOM 305 OE2 GLU p 19 4.750 4.440 -5.228 1.00 0.00 O ATOM 0 H GLU p 19 3.461 4.362 -0.676 1.00 0.00 H new ATOM 0 HA GLU p 19 4.776 2.637 -2.531 1.00 0.00 H new ATOM 0 HB2 GLU p 19 5.782 5.170 -1.225 1.00 0.00 H new ATOM 0 HB3 GLU p 19 6.504 4.357 -2.599 1.00 0.00 H new ATOM 0 HG2 GLU p 19 3.664 4.941 -2.995 1.00 0.00 H new ATOM 0 HG3 GLU p 19 4.615 6.378 -2.679 1.00 0.00 H new ATOM 312 N LYS p 20 5.854 3.119 0.543 1.00 0.00 N ATOM 313 CA LYS p 20 6.646 2.592 1.660 1.00 0.00 C ATOM 314 C LYS p 20 6.099 1.218 2.046 1.00 0.00 C ATOM 315 O LYS p 20 6.668 0.492 2.856 1.00 0.00 O ATOM 316 CB LYS p 20 6.608 3.530 2.857 1.00 0.00 C ATOM 317 CG LYS p 20 7.976 3.884 3.410 1.00 0.00 C ATOM 318 CD LYS p 20 8.102 3.508 4.878 1.00 0.00 C ATOM 319 CE LYS p 20 9.411 4.006 5.469 1.00 0.00 C ATOM 320 NZ LYS p 20 9.547 3.638 6.906 1.00 0.00 N ATOM 0 H LYS p 20 5.276 3.923 0.786 1.00 0.00 H new ATOM 0 HA LYS p 20 7.686 2.505 1.346 1.00 0.00 H new ATOM 0 HB2 LYS p 20 6.095 4.448 2.570 1.00 0.00 H new ATOM 0 HB3 LYS p 20 6.016 3.069 3.648 1.00 0.00 H new ATOM 0 HG2 LYS p 20 8.746 3.369 2.835 1.00 0.00 H new ATOM 0 HG3 LYS p 20 8.151 4.953 3.292 1.00 0.00 H new ATOM 0 HD2 LYS p 20 7.266 3.929 5.436 1.00 0.00 H new ATOM 0 HD3 LYS p 20 8.042 2.425 4.984 1.00 0.00 H new ATOM 0 HE2 LYS p 20 10.246 3.588 4.907 1.00 0.00 H new ATOM 0 HE3 LYS p 20 9.467 5.090 5.365 1.00 0.00 H new ATOM 0 HZ1 LYS p 20 10.402 4.081 7.298 1.00 0.00 H new ATOM 0 HZ2 LYS p 20 8.713 3.971 7.430 1.00 0.00 H new ATOM 0 HZ3 LYS p 20 9.621 2.604 6.994 1.00 0.00 H new ATOM 334 N GLU p 21 4.940 0.924 1.485 1.00 0.00 N ATOM 335 CA GLU p 21 4.299 -0.370 1.622 1.00 0.00 C ATOM 336 C GLU p 21 4.663 -1.163 0.376 1.00 0.00 C ATOM 337 O GLU p 21 4.844 -2.383 0.412 1.00 0.00 O ATOM 338 CB GLU p 21 2.781 -0.195 1.784 1.00 0.00 C ATOM 339 CG GLU p 21 1.921 -1.276 1.145 1.00 0.00 C ATOM 340 CD GLU p 21 1.106 -2.056 2.159 1.00 0.00 C ATOM 341 OE1 GLU p 21 -0.031 -1.635 2.457 1.00 0.00 O ATOM 342 OE2 GLU p 21 1.607 -3.088 2.655 1.00 0.00 O ATOM 0 H GLU p 21 4.412 1.585 0.915 1.00 0.00 H new ATOM 0 HA GLU p 21 4.636 -0.903 2.511 1.00 0.00 H new ATOM 0 HB2 GLU p 21 2.550 -0.154 2.848 1.00 0.00 H new ATOM 0 HB3 GLU p 21 2.497 0.768 1.359 1.00 0.00 H new ATOM 0 HG2 GLU p 21 1.248 -0.817 0.421 1.00 0.00 H new ATOM 0 HG3 GLU p 21 2.561 -1.964 0.594 1.00 0.00 H new ATOM 349 N LEU p 22 4.754 -0.413 -0.723 1.00 0.00 N ATOM 350 CA LEU p 22 5.110 -0.953 -2.029 1.00 0.00 C ATOM 351 C LEU p 22 6.602 -0.895 -2.276 1.00 0.00 C ATOM 352 O LEU p 22 7.237 -1.912 -2.532 1.00 0.00 O ATOM 353 CB LEU p 22 4.411 -0.152 -3.123 1.00 0.00 C ATOM 354 CG LEU p 22 3.216 -0.800 -3.803 1.00 0.00 C ATOM 355 CD1 LEU p 22 2.047 -0.911 -2.840 1.00 0.00 C ATOM 356 CD2 LEU p 22 2.849 0.042 -5.000 1.00 0.00 C ATOM 0 H LEU p 22 4.581 0.592 -0.728 1.00 0.00 H new ATOM 0 HA LEU p 22 4.794 -1.996 -2.047 1.00 0.00 H new ATOM 0 HB2 LEU p 22 4.082 0.794 -2.692 1.00 0.00 H new ATOM 0 HB3 LEU p 22 5.148 0.087 -3.890 1.00 0.00 H new ATOM 0 HG LEU p 22 3.468 -1.811 -4.123 1.00 0.00 H new ATOM 0 HD11 LEU p 22 1.202 -1.377 -3.346 1.00 0.00 H new ATOM 0 HD12 LEU p 22 2.338 -1.519 -1.983 1.00 0.00 H new ATOM 0 HD13 LEU p 22 1.761 0.084 -2.498 1.00 0.00 H new ATOM 0 HD21 LEU p 22 1.992 -0.401 -5.508 1.00 0.00 H new ATOM 0 HD22 LEU p 22 2.595 1.050 -4.672 1.00 0.00 H new ATOM 0 HD23 LEU p 22 3.694 0.087 -5.687 1.00 0.00 H new ATOM 368 N ALA p 23 7.141 0.313 -2.144 1.00 0.00 N ATOM 369 CA ALA p 23 8.572 0.579 -2.418 1.00 0.00 C ATOM 370 C ALA p 23 9.507 0.230 -1.258 1.00 0.00 C ATOM 371 O ALA p 23 10.721 0.173 -1.461 1.00 0.00 O ATOM 372 CB ALA p 23 8.772 2.029 -2.843 1.00 0.00 C ATOM 0 H ALA p 23 6.615 1.135 -1.848 1.00 0.00 H new ATOM 0 HA ALA p 23 8.847 -0.089 -3.234 1.00 0.00 H new ATOM 0 HB1 ALA p 23 9.829 2.208 -3.041 1.00 0.00 H new ATOM 0 HB2 ALA p 23 8.196 2.226 -3.747 1.00 0.00 H new ATOM 0 HB3 ALA p 23 8.435 2.692 -2.046 1.00 0.00 H new ATOM 378 N GLN p 24 8.960 -0.015 -0.061 1.00 0.00 N ATOM 379 CA GLN p 24 9.777 -0.369 1.091 1.00 0.00 C ATOM 380 C GLN p 24 9.848 -1.887 1.206 1.00 0.00 C ATOM 381 O GLN p 24 10.759 -2.424 1.794 1.00 0.00 O ATOM 382 CB GLN p 24 9.209 0.280 2.350 1.00 0.00 C ATOM 383 CG GLN p 24 9.419 -0.500 3.637 1.00 0.00 C ATOM 384 CD GLN p 24 10.232 0.255 4.669 1.00 0.00 C ATOM 385 OE1 GLN p 24 9.681 0.958 5.516 1.00 0.00 O ATOM 386 NE2 GLN p 24 11.551 0.116 4.603 1.00 0.00 N ATOM 0 H GLN p 24 7.959 0.027 0.128 1.00 0.00 H new ATOM 0 HA GLN p 24 10.793 0.006 0.966 1.00 0.00 H new ATOM 0 HB2 GLN p 24 9.660 1.266 2.465 1.00 0.00 H new ATOM 0 HB3 GLN p 24 8.139 0.433 2.208 1.00 0.00 H new ATOM 0 HG2 GLN p 24 8.448 -0.753 4.063 1.00 0.00 H new ATOM 0 HG3 GLN p 24 9.920 -1.440 3.406 1.00 0.00 H new ATOM 0 HE21 GLN p 24 11.966 -0.477 3.884 1.00 0.00 H new ATOM 0 HE22 GLN p 24 12.149 0.602 5.271 1.00 0.00 H new ATOM 395 N LEU p 25 8.831 -2.517 0.631 1.00 0.00 N ATOM 396 CA LEU p 25 8.652 -3.967 0.536 1.00 0.00 C ATOM 397 C LEU p 25 9.680 -4.511 -0.440 1.00 0.00 C ATOM 398 O LEU p 25 10.219 -5.592 -0.270 1.00 0.00 O ATOM 399 CB LEU p 25 7.242 -4.237 -0.004 1.00 0.00 C ATOM 400 CG LEU p 25 6.550 -5.551 0.383 1.00 0.00 C ATOM 401 CD1 LEU p 25 5.324 -5.701 -0.485 1.00 0.00 C ATOM 402 CD2 LEU p 25 7.458 -6.761 0.210 1.00 0.00 C ATOM 0 H LEU p 25 8.065 -2.005 0.193 1.00 0.00 H new ATOM 0 HA LEU p 25 8.777 -4.444 1.508 1.00 0.00 H new ATOM 0 HB2 LEU p 25 6.601 -3.417 0.319 1.00 0.00 H new ATOM 0 HB3 LEU p 25 7.290 -4.195 -1.092 1.00 0.00 H new ATOM 0 HG LEU p 25 6.286 -5.509 1.440 1.00 0.00 H new ATOM 0 HD11 LEU p 25 4.810 -6.628 -0.232 1.00 0.00 H new ATOM 0 HD12 LEU p 25 4.654 -4.858 -0.317 1.00 0.00 H new ATOM 0 HD13 LEU p 25 5.621 -5.725 -1.533 1.00 0.00 H new ATOM 0 HD21 LEU p 25 6.920 -7.664 0.498 1.00 0.00 H new ATOM 0 HD22 LEU p 25 7.766 -6.839 -0.833 1.00 0.00 H new ATOM 0 HD23 LEU p 25 8.339 -6.648 0.841 1.00 0.00 H new ATOM 414 N GLU p 26 9.868 -3.706 -1.479 1.00 0.00 N ATOM 415 CA GLU p 26 10.832 -3.888 -2.550 1.00 0.00 C ATOM 416 C GLU p 26 12.186 -3.568 -1.989 1.00 0.00 C ATOM 417 O GLU p 26 13.212 -4.002 -2.494 1.00 0.00 O ATOM 418 CB GLU p 26 10.524 -2.930 -3.689 1.00 0.00 C ATOM 419 CG GLU p 26 9.105 -3.038 -4.178 1.00 0.00 C ATOM 420 CD GLU p 26 9.001 -3.263 -5.674 1.00 0.00 C ATOM 421 OE1 GLU p 26 8.935 -2.265 -6.422 1.00 0.00 O ATOM 422 OE2 GLU p 26 8.987 -4.439 -6.097 1.00 0.00 O ATOM 0 H GLU p 26 9.316 -2.857 -1.601 1.00 0.00 H new ATOM 0 HA GLU p 26 10.794 -4.908 -2.931 1.00 0.00 H new ATOM 0 HB2 GLU p 26 10.712 -1.908 -3.359 1.00 0.00 H new ATOM 0 HB3 GLU p 26 11.204 -3.128 -4.517 1.00 0.00 H new ATOM 0 HG2 GLU p 26 8.611 -3.859 -3.659 1.00 0.00 H new ATOM 0 HG3 GLU p 26 8.568 -2.126 -3.917 1.00 0.00 H new ATOM 429 N LYS p 27 12.124 -2.734 -0.951 1.00 0.00 N ATOM 430 CA LYS p 27 13.297 -2.335 -0.165 1.00 0.00 C ATOM 431 C LYS p 27 13.555 -3.403 0.879 1.00 0.00 C ATOM 432 O LYS p 27 14.700 -3.669 1.242 1.00 0.00 O ATOM 433 CB LYS p 27 13.125 -0.978 0.508 1.00 0.00 C ATOM 434 CG LYS p 27 13.442 0.199 -0.398 1.00 0.00 C ATOM 435 CD LYS p 27 13.418 1.513 0.364 1.00 0.00 C ATOM 436 CE LYS p 27 13.732 2.691 -0.545 1.00 0.00 C ATOM 437 NZ LYS p 27 13.707 3.984 0.192 1.00 0.00 N ATOM 0 H LYS p 27 11.253 -2.312 -0.628 1.00 0.00 H new ATOM 0 HA LYS p 27 14.144 -2.236 -0.844 1.00 0.00 H new ATOM 0 HB2 LYS p 27 12.098 -0.886 0.862 1.00 0.00 H new ATOM 0 HB3 LYS p 27 13.770 -0.933 1.385 1.00 0.00 H new ATOM 0 HG2 LYS p 27 14.424 0.057 -0.849 1.00 0.00 H new ATOM 0 HG3 LYS p 27 12.719 0.237 -1.213 1.00 0.00 H new ATOM 0 HD2 LYS p 27 12.437 1.654 0.818 1.00 0.00 H new ATOM 0 HD3 LYS p 27 14.143 1.476 1.177 1.00 0.00 H new ATOM 0 HE2 LYS p 27 14.714 2.549 -0.996 1.00 0.00 H new ATOM 0 HE3 LYS p 27 13.009 2.724 -1.360 1.00 0.00 H new ATOM 0 HZ1 LYS p 27 13.926 4.761 -0.463 1.00 0.00 H new ATOM 0 HZ2 LYS p 27 12.763 4.132 0.601 1.00 0.00 H new ATOM 0 HZ3 LYS p 27 14.415 3.963 0.953 1.00 0.00 H new ATOM 451 N GLU p 28 12.455 -4.004 1.361 1.00 0.00 N ATOM 452 CA GLU p 28 12.535 -5.133 2.308 1.00 0.00 C ATOM 453 C GLU p 28 12.947 -6.321 1.493 1.00 0.00 C ATOM 454 O GLU p 28 13.657 -7.220 1.947 1.00 0.00 O ATOM 455 CB GLU p 28 11.204 -5.445 2.997 1.00 0.00 C ATOM 456 CG GLU p 28 10.609 -4.267 3.722 1.00 0.00 C ATOM 457 CD GLU p 28 10.466 -4.495 5.213 1.00 0.00 C ATOM 458 OE1 GLU p 28 11.424 -4.192 5.955 1.00 0.00 O ATOM 459 OE2 GLU p 28 9.396 -4.978 5.641 1.00 0.00 O ATOM 0 H GLU p 28 11.504 -3.730 1.114 1.00 0.00 H new ATOM 0 HA GLU p 28 13.237 -4.882 3.104 1.00 0.00 H new ATOM 0 HB2 GLU p 28 10.493 -5.799 2.251 1.00 0.00 H new ATOM 0 HB3 GLU p 28 11.354 -6.259 3.706 1.00 0.00 H new ATOM 0 HG2 GLU p 28 11.235 -3.391 3.553 1.00 0.00 H new ATOM 0 HG3 GLU p 28 9.629 -4.045 3.299 1.00 0.00 H new ATOM 466 N LEU p 29 12.463 -6.277 0.256 1.00 0.00 N ATOM 467 CA LEU p 29 12.780 -7.272 -0.751 1.00 0.00 C ATOM 468 C LEU p 29 14.228 -7.102 -1.191 1.00 0.00 C ATOM 469 O LEU p 29 14.974 -8.074 -1.315 1.00 0.00 O ATOM 470 CB LEU p 29 11.861 -7.076 -1.952 1.00 0.00 C ATOM 471 CG LEU p 29 11.487 -8.303 -2.775 1.00 0.00 C ATOM 472 CD1 LEU p 29 10.546 -7.859 -3.869 1.00 0.00 C ATOM 473 CD2 LEU p 29 12.715 -8.965 -3.374 1.00 0.00 C ATOM 0 H LEU p 29 11.836 -5.543 -0.074 1.00 0.00 H new ATOM 0 HA LEU p 29 12.640 -8.271 -0.338 1.00 0.00 H new ATOM 0 HB2 LEU p 29 10.938 -6.619 -1.595 1.00 0.00 H new ATOM 0 HB3 LEU p 29 12.334 -6.357 -2.621 1.00 0.00 H new ATOM 0 HG LEU p 29 11.008 -9.040 -2.131 1.00 0.00 H new ATOM 0 HD11 LEU p 29 10.261 -8.719 -4.475 1.00 0.00 H new ATOM 0 HD12 LEU p 29 9.654 -7.417 -3.425 1.00 0.00 H new ATOM 0 HD13 LEU p 29 11.042 -7.120 -4.498 1.00 0.00 H new ATOM 0 HD21 LEU p 29 12.412 -9.836 -3.954 1.00 0.00 H new ATOM 0 HD22 LEU p 29 13.229 -8.257 -4.024 1.00 0.00 H new ATOM 0 HD23 LEU p 29 13.387 -9.277 -2.574 1.00 0.00 H new ATOM 791 N GLN p 51 2.645 -16.262 -4.942 1.00 0.00 N ATOM 792 CA GLN p 51 2.152 -15.049 -5.606 1.00 0.00 C ATOM 793 C GLN p 51 1.265 -14.233 -4.654 1.00 0.00 C ATOM 794 O GLN p 51 0.893 -13.099 -4.956 1.00 0.00 O ATOM 795 CB GLN p 51 1.369 -15.411 -6.874 1.00 0.00 C ATOM 796 CG GLN p 51 2.245 -15.883 -8.025 1.00 0.00 C ATOM 797 CD GLN p 51 1.444 -16.215 -9.269 1.00 0.00 C ATOM 798 OE1 GLN p 51 1.007 -17.350 -9.456 1.00 0.00 O ATOM 799 NE2 GLN p 51 1.248 -15.221 -10.128 1.00 0.00 N ATOM 0 HA GLN p 51 3.012 -14.442 -5.887 1.00 0.00 H new ATOM 0 HB2 GLN p 51 0.649 -16.193 -6.634 1.00 0.00 H new ATOM 0 HB3 GLN p 51 0.798 -14.541 -7.198 1.00 0.00 H new ATOM 0 HG2 GLN p 51 2.974 -15.109 -8.263 1.00 0.00 H new ATOM 0 HG3 GLN p 51 2.806 -16.764 -7.712 1.00 0.00 H new ATOM 0 HE21 GLN p 51 1.629 -14.295 -9.932 1.00 0.00 H new ATOM 0 HE22 GLN p 51 0.717 -15.383 -10.983 1.00 0.00 H new ATOM 808 N ALA p 52 0.954 -14.841 -3.492 1.00 0.00 N ATOM 809 CA ALA p 52 0.107 -14.253 -2.433 1.00 0.00 C ATOM 810 C ALA p 52 0.549 -12.844 -1.969 1.00 0.00 C ATOM 811 O ALA p 52 -0.155 -12.197 -1.195 1.00 0.00 O ATOM 812 CB ALA p 52 0.088 -15.212 -1.248 1.00 0.00 C ATOM 0 H ALA p 52 1.291 -15.775 -3.258 1.00 0.00 H new ATOM 0 HA ALA p 52 -0.888 -14.116 -2.857 1.00 0.00 H new ATOM 0 HB1 ALA p 52 -0.532 -14.797 -0.454 1.00 0.00 H new ATOM 0 HB2 ALA p 52 -0.321 -16.172 -1.563 1.00 0.00 H new ATOM 0 HB3 ALA p 52 1.104 -15.354 -0.878 1.00 0.00 H new ATOM 818 N LEU p 53 1.715 -12.401 -2.446 1.00 0.00 N ATOM 819 CA LEU p 53 2.289 -11.109 -2.135 1.00 0.00 C ATOM 820 C LEU p 53 1.896 -10.125 -3.223 1.00 0.00 C ATOM 821 O LEU p 53 1.212 -9.134 -2.974 1.00 0.00 O ATOM 822 CB LEU p 53 3.808 -11.258 -2.054 1.00 0.00 C ATOM 823 CG LEU p 53 4.523 -10.360 -1.059 1.00 0.00 C ATOM 824 CD1 LEU p 53 5.908 -10.911 -0.821 1.00 0.00 C ATOM 825 CD2 LEU p 53 4.594 -8.940 -1.587 1.00 0.00 C ATOM 0 H LEU p 53 2.295 -12.955 -3.077 1.00 0.00 H new ATOM 0 HA LEU p 53 1.921 -10.737 -1.179 1.00 0.00 H new ATOM 0 HB2 LEU p 53 4.037 -12.294 -1.805 1.00 0.00 H new ATOM 0 HB3 LEU p 53 4.223 -11.069 -3.044 1.00 0.00 H new ATOM 0 HG LEU p 53 3.973 -10.338 -0.118 1.00 0.00 H new ATOM 0 HD11 LEU p 53 6.434 -10.276 -0.108 1.00 0.00 H new ATOM 0 HD12 LEU p 53 5.834 -11.922 -0.421 1.00 0.00 H new ATOM 0 HD13 LEU p 53 6.458 -10.933 -1.762 1.00 0.00 H new ATOM 0 HD21 LEU p 53 5.109 -8.308 -0.863 1.00 0.00 H new ATOM 0 HD22 LEU p 53 5.139 -8.930 -2.531 1.00 0.00 H new ATOM 0 HD23 LEU p 53 3.585 -8.560 -1.747 1.00 0.00 H new ATOM 837 N LYS p 54 2.336 -10.451 -4.445 1.00 0.00 N ATOM 838 CA LYS p 54 2.033 -9.670 -5.661 1.00 0.00 C ATOM 839 C LYS p 54 0.521 -9.670 -5.938 1.00 0.00 C ATOM 840 O LYS p 54 0.025 -8.902 -6.761 1.00 0.00 O ATOM 841 CB LYS p 54 2.784 -10.247 -6.867 1.00 0.00 C ATOM 842 CG LYS p 54 4.281 -9.965 -6.853 1.00 0.00 C ATOM 843 CD LYS p 54 4.969 -10.551 -8.076 1.00 0.00 C ATOM 844 CE LYS p 54 6.461 -10.259 -8.068 1.00 0.00 C ATOM 845 NZ LYS p 54 7.144 -10.824 -9.264 1.00 0.00 N ATOM 0 H LYS p 54 2.917 -11.270 -4.624 1.00 0.00 H new ATOM 0 HA LYS p 54 2.360 -8.643 -5.499 1.00 0.00 H new ATOM 0 HB2 LYS p 54 2.627 -11.325 -6.898 1.00 0.00 H new ATOM 0 HB3 LYS p 54 2.355 -9.836 -7.781 1.00 0.00 H new ATOM 0 HG2 LYS p 54 4.449 -8.889 -6.820 1.00 0.00 H new ATOM 0 HG3 LYS p 54 4.723 -10.385 -5.949 1.00 0.00 H new ATOM 0 HD2 LYS p 54 4.808 -11.629 -8.104 1.00 0.00 H new ATOM 0 HD3 LYS p 54 4.521 -10.138 -8.980 1.00 0.00 H new ATOM 0 HE2 LYS p 54 6.620 -9.181 -8.035 1.00 0.00 H new ATOM 0 HE3 LYS p 54 6.907 -10.675 -7.165 1.00 0.00 H new ATOM 0 HZ1 LYS p 54 8.159 -10.603 -9.221 1.00 0.00 H new ATOM 0 HZ2 LYS p 54 7.015 -11.856 -9.283 1.00 0.00 H new ATOM 0 HZ3 LYS p 54 6.736 -10.408 -10.126 1.00 0.00 H new ATOM 859 N LYS p 55 -0.172 -10.563 -5.221 1.00 0.00 N ATOM 860 CA LYS p 55 -1.607 -10.741 -5.275 1.00 0.00 C ATOM 861 C LYS p 55 -2.239 -9.933 -4.161 1.00 0.00 C ATOM 862 O LYS p 55 -3.327 -9.385 -4.321 1.00 0.00 O ATOM 863 CB LYS p 55 -1.965 -12.219 -5.138 1.00 0.00 C ATOM 864 CG LYS p 55 -2.148 -12.939 -6.468 1.00 0.00 C ATOM 865 CD LYS p 55 -3.587 -12.865 -6.961 1.00 0.00 C ATOM 866 CE LYS p 55 -3.754 -13.575 -8.295 1.00 0.00 C ATOM 867 NZ LYS p 55 -5.162 -13.523 -8.779 1.00 0.00 N ATOM 0 H LYS p 55 0.280 -11.200 -4.565 1.00 0.00 H new ATOM 0 HA LYS p 55 -1.986 -10.394 -6.236 1.00 0.00 H new ATOM 0 HB2 LYS p 55 -1.182 -12.721 -4.570 1.00 0.00 H new ATOM 0 HB3 LYS p 55 -2.885 -12.307 -4.559 1.00 0.00 H new ATOM 0 HG2 LYS p 55 -1.486 -12.498 -7.213 1.00 0.00 H new ATOM 0 HG3 LYS p 55 -1.855 -13.983 -6.359 1.00 0.00 H new ATOM 0 HD2 LYS p 55 -4.250 -13.315 -6.222 1.00 0.00 H new ATOM 0 HD3 LYS p 55 -3.885 -11.821 -7.063 1.00 0.00 H new ATOM 0 HE2 LYS p 55 -3.098 -13.116 -9.035 1.00 0.00 H new ATOM 0 HE3 LYS p 55 -3.443 -14.615 -8.194 1.00 0.00 H new ATOM 0 HZ1 LYS p 55 -5.234 -14.018 -9.691 1.00 0.00 H new ATOM 0 HZ2 LYS p 55 -5.785 -13.983 -8.085 1.00 0.00 H new ATOM 0 HZ3 LYS p 55 -5.451 -12.531 -8.900 1.00 0.00 H new ATOM 881 N LYS p 56 -1.530 -9.884 -3.016 1.00 0.00 N ATOM 882 CA LYS p 56 -1.964 -9.076 -1.850 1.00 0.00 C ATOM 883 C LYS p 56 -1.698 -7.592 -2.137 1.00 0.00 C ATOM 884 O LYS p 56 -2.190 -6.693 -1.451 1.00 0.00 O ATOM 885 CB LYS p 56 -1.230 -9.497 -0.576 1.00 0.00 C ATOM 886 CG LYS p 56 -2.041 -10.419 0.332 1.00 0.00 C ATOM 887 CD LYS p 56 -2.962 -9.638 1.262 1.00 0.00 C ATOM 888 CE LYS p 56 -3.855 -10.566 2.071 1.00 0.00 C ATOM 889 NZ LYS p 56 -4.767 -9.810 2.975 1.00 0.00 N ATOM 0 H LYS p 56 -0.657 -10.391 -2.870 1.00 0.00 H new ATOM 0 HA LYS p 56 -3.030 -9.242 -1.692 1.00 0.00 H new ATOM 0 HB2 LYS p 56 -0.303 -9.999 -0.852 1.00 0.00 H new ATOM 0 HB3 LYS p 56 -0.954 -8.604 -0.016 1.00 0.00 H new ATOM 0 HG2 LYS p 56 -2.635 -11.099 -0.279 1.00 0.00 H new ATOM 0 HG3 LYS p 56 -1.363 -11.033 0.925 1.00 0.00 H new ATOM 0 HD2 LYS p 56 -2.364 -9.026 1.938 1.00 0.00 H new ATOM 0 HD3 LYS p 56 -3.579 -8.957 0.676 1.00 0.00 H new ATOM 0 HE2 LYS p 56 -4.445 -11.184 1.394 1.00 0.00 H new ATOM 0 HE3 LYS p 56 -3.236 -11.242 2.662 1.00 0.00 H new ATOM 0 HZ1 LYS p 56 -5.359 -10.478 3.509 1.00 0.00 H new ATOM 0 HZ2 LYS p 56 -4.204 -9.240 3.638 1.00 0.00 H new ATOM 0 HZ3 LYS p 56 -5.375 -9.184 2.410 1.00 0.00 H new ATOM 903 N LEU p 57 -0.892 -7.403 -3.180 1.00 0.00 N ATOM 904 CA LEU p 57 -0.488 -6.125 -3.728 1.00 0.00 C ATOM 905 C LEU p 57 -1.457 -5.809 -4.829 1.00 0.00 C ATOM 906 O LEU p 57 -1.915 -4.682 -4.985 1.00 0.00 O ATOM 907 CB LEU p 57 0.915 -6.233 -4.311 1.00 0.00 C ATOM 908 CG LEU p 57 2.072 -5.703 -3.469 1.00 0.00 C ATOM 909 CD1 LEU p 57 2.198 -6.455 -2.150 1.00 0.00 C ATOM 910 CD2 LEU p 57 3.338 -5.837 -4.283 1.00 0.00 C ATOM 0 H LEU p 57 -0.484 -8.187 -3.689 1.00 0.00 H new ATOM 0 HA LEU p 57 -0.484 -5.352 -2.960 1.00 0.00 H new ATOM 0 HB2 LEU p 57 1.110 -7.284 -4.526 1.00 0.00 H new ATOM 0 HB3 LEU p 57 0.924 -5.705 -5.265 1.00 0.00 H new ATOM 0 HG LEU p 57 1.890 -4.658 -3.216 1.00 0.00 H new ATOM 0 HD11 LEU p 57 3.033 -6.049 -1.578 1.00 0.00 H new ATOM 0 HD12 LEU p 57 1.277 -6.343 -1.578 1.00 0.00 H new ATOM 0 HD13 LEU p 57 2.374 -7.512 -2.349 1.00 0.00 H new ATOM 0 HD21 LEU p 57 4.184 -5.465 -3.705 1.00 0.00 H new ATOM 0 HD22 LEU p 57 3.502 -6.886 -4.531 1.00 0.00 H new ATOM 0 HD23 LEU p 57 3.243 -5.257 -5.201 1.00 0.00 H new ATOM 922 N ALA p 58 -1.730 -6.868 -5.609 1.00 0.00 N ATOM 923 CA ALA p 58 -2.721 -6.815 -6.704 1.00 0.00 C ATOM 924 C ALA p 58 -4.121 -6.583 -6.123 1.00 0.00 C ATOM 925 O ALA p 58 -5.047 -6.162 -6.824 1.00 0.00 O ATOM 926 CB ALA p 58 -2.702 -8.090 -7.532 1.00 0.00 C ATOM 0 H ALA p 58 -1.278 -7.776 -5.503 1.00 0.00 H new ATOM 0 HA ALA p 58 -2.458 -5.987 -7.362 1.00 0.00 H new ATOM 0 HB1 ALA p 58 -3.443 -8.018 -8.328 1.00 0.00 H new ATOM 0 HB2 ALA p 58 -1.712 -8.226 -7.968 1.00 0.00 H new ATOM 0 HB3 ALA p 58 -2.937 -8.942 -6.894 1.00 0.00 H new ATOM 932 N GLN p 59 -4.231 -6.876 -4.822 1.00 0.00 N ATOM 933 CA GLN p 59 -5.425 -6.704 -4.041 1.00 0.00 C ATOM 934 C GLN p 59 -5.357 -5.341 -3.354 1.00 0.00 C ATOM 935 O GLN p 59 -6.378 -4.753 -3.021 1.00 0.00 O ATOM 936 CB GLN p 59 -5.482 -7.845 -3.023 1.00 0.00 C ATOM 937 CG GLN p 59 -6.403 -7.599 -1.855 1.00 0.00 C ATOM 938 CD GLN p 59 -7.406 -8.716 -1.642 1.00 0.00 C ATOM 939 OE1 GLN p 59 -8.508 -8.688 -2.191 1.00 0.00 O ATOM 940 NE2 GLN p 59 -7.027 -9.706 -0.843 1.00 0.00 N ATOM 0 H GLN p 59 -3.453 -7.252 -4.280 1.00 0.00 H new ATOM 0 HA GLN p 59 -6.325 -6.733 -4.655 1.00 0.00 H new ATOM 0 HB2 GLN p 59 -5.799 -8.754 -3.534 1.00 0.00 H new ATOM 0 HB3 GLN p 59 -4.476 -8.027 -2.644 1.00 0.00 H new ATOM 0 HG2 GLN p 59 -5.808 -7.476 -0.950 1.00 0.00 H new ATOM 0 HG3 GLN p 59 -6.939 -6.663 -2.013 1.00 0.00 H new ATOM 0 HE21 GLN p 59 -6.104 -9.687 -0.410 1.00 0.00 H new ATOM 0 HE22 GLN p 59 -7.659 -10.486 -0.662 1.00 0.00 H new ATOM 949 N LEU p 60 -4.118 -4.886 -3.149 1.00 0.00 N ATOM 950 CA LEU p 60 -3.809 -3.595 -2.533 1.00 0.00 C ATOM 951 C LEU p 60 -3.792 -2.503 -3.611 1.00 0.00 C ATOM 952 O LEU p 60 -3.735 -1.308 -3.326 1.00 0.00 O ATOM 953 CB LEU p 60 -2.455 -3.672 -1.804 1.00 0.00 C ATOM 954 CG LEU p 60 -2.089 -2.496 -0.874 1.00 0.00 C ATOM 955 CD1 LEU p 60 -1.212 -1.512 -1.621 1.00 0.00 C ATOM 956 CD2 LEU p 60 -3.333 -1.797 -0.342 1.00 0.00 C ATOM 0 H LEU p 60 -3.287 -5.415 -3.412 1.00 0.00 H new ATOM 0 HA LEU p 60 -4.576 -3.346 -1.799 1.00 0.00 H new ATOM 0 HB2 LEU p 60 -2.441 -4.588 -1.213 1.00 0.00 H new ATOM 0 HB3 LEU p 60 -1.671 -3.765 -2.556 1.00 0.00 H new ATOM 0 HG LEU p 60 -1.544 -2.893 -0.018 1.00 0.00 H new ATOM 0 HD11 LEU p 60 -0.954 -0.682 -0.963 1.00 0.00 H new ATOM 0 HD12 LEU p 60 -0.301 -2.012 -1.948 1.00 0.00 H new ATOM 0 HD13 LEU p 60 -1.749 -1.133 -2.490 1.00 0.00 H new ATOM 0 HD21 LEU p 60 -3.038 -0.974 0.309 1.00 0.00 H new ATOM 0 HD22 LEU p 60 -3.917 -1.408 -1.176 1.00 0.00 H new ATOM 0 HD23 LEU p 60 -3.936 -2.508 0.222 1.00 0.00 H new ATOM 968 N LYS p 61 -3.830 -2.991 -4.840 1.00 0.00 N ATOM 969 CA LYS p 61 -3.862 -2.214 -6.070 1.00 0.00 C ATOM 970 C LYS p 61 -5.322 -2.091 -6.445 1.00 0.00 C ATOM 971 O LYS p 61 -5.769 -1.115 -7.054 1.00 0.00 O ATOM 972 CB LYS p 61 -3.077 -2.938 -7.168 1.00 0.00 C ATOM 973 CG LYS p 61 -1.718 -2.323 -7.476 1.00 0.00 C ATOM 974 CD LYS p 61 -1.751 -1.519 -8.765 1.00 0.00 C ATOM 975 CE LYS p 61 -0.432 -0.804 -9.010 1.00 0.00 C ATOM 976 NZ LYS p 61 -0.442 -0.045 -10.291 1.00 0.00 N ATOM 0 H LYS p 61 -3.840 -3.996 -5.017 1.00 0.00 H new ATOM 0 HA LYS p 61 -3.405 -1.233 -5.943 1.00 0.00 H new ATOM 0 HB2 LYS p 61 -2.934 -3.977 -6.871 1.00 0.00 H new ATOM 0 HB3 LYS p 61 -3.674 -2.946 -8.080 1.00 0.00 H new ATOM 0 HG2 LYS p 61 -1.414 -1.678 -6.651 1.00 0.00 H new ATOM 0 HG3 LYS p 61 -0.970 -3.112 -7.557 1.00 0.00 H new ATOM 0 HD2 LYS p 61 -1.968 -2.182 -9.603 1.00 0.00 H new ATOM 0 HD3 LYS p 61 -2.559 -0.789 -8.719 1.00 0.00 H new ATOM 0 HE2 LYS p 61 -0.230 -0.121 -8.185 1.00 0.00 H new ATOM 0 HE3 LYS p 61 0.379 -1.533 -9.026 1.00 0.00 H new ATOM 0 HZ1 LYS p 61 0.475 0.428 -10.421 1.00 0.00 H new ATOM 0 HZ2 LYS p 61 -0.609 -0.700 -11.081 1.00 0.00 H new ATOM 0 HZ3 LYS p 61 -1.199 0.668 -10.266 1.00 0.00 H new ATOM 990 N TRP p 62 -6.042 -3.147 -6.043 1.00 0.00 N ATOM 991 CA TRP p 62 -7.482 -3.256 -6.193 1.00 0.00 C ATOM 992 C TRP p 62 -8.105 -2.517 -5.028 1.00 0.00 C ATOM 993 O TRP p 62 -9.193 -1.944 -5.138 1.00 0.00 O ATOM 994 CB TRP p 62 -7.920 -4.719 -6.195 1.00 0.00 C ATOM 995 CG TRP p 62 -8.910 -5.043 -7.277 1.00 0.00 C ATOM 996 CD1 TRP p 62 -8.625 -5.526 -8.523 1.00 0.00 C ATOM 997 CD2 TRP p 62 -10.339 -4.910 -7.216 1.00 0.00 C ATOM 998 NE1 TRP p 62 -9.783 -5.700 -9.239 1.00 0.00 N ATOM 999 CE2 TRP p 62 -10.848 -5.331 -8.461 1.00 0.00 C ATOM 1000 CE3 TRP p 62 -11.239 -4.478 -6.234 1.00 0.00 C ATOM 1001 CZ2 TRP p 62 -12.211 -5.331 -8.746 1.00 0.00 C ATOM 1002 CZ3 TRP p 62 -12.591 -4.479 -6.520 1.00 0.00 C ATOM 1003 CH2 TRP p 62 -13.066 -4.904 -7.768 1.00 0.00 C ATOM 0 H TRP p 62 -5.622 -3.962 -5.596 1.00 0.00 H new ATOM 0 HA TRP p 62 -7.802 -2.826 -7.142 1.00 0.00 H new ATOM 0 HB2 TRP p 62 -7.042 -5.353 -6.314 1.00 0.00 H new ATOM 0 HB3 TRP p 62 -8.359 -4.961 -5.227 1.00 0.00 H new ATOM 0 HD1 TRP p 62 -7.632 -5.740 -8.891 1.00 0.00 H new ATOM 0 HE1 TRP p 62 -9.841 -6.048 -10.196 1.00 0.00 H new ATOM 0 HE3 TRP p 62 -10.882 -4.149 -5.269 1.00 0.00 H new ATOM 0 HZ2 TRP p 62 -12.580 -5.657 -9.707 1.00 0.00 H new ATOM 0 HZ3 TRP p 62 -13.293 -4.147 -5.769 1.00 0.00 H new ATOM 0 HH2 TRP p 62 -14.129 -4.894 -7.961 1.00 0.00 H new ATOM 1014 N LYS p 63 -7.376 -2.552 -3.897 1.00 0.00 N ATOM 1015 CA LYS p 63 -7.783 -1.811 -2.693 1.00 0.00 C ATOM 1016 C LYS p 63 -7.347 -0.349 -2.832 1.00 0.00 C ATOM 1017 O LYS p 63 -7.771 0.515 -2.066 1.00 0.00 O ATOM 1018 CB LYS p 63 -7.202 -2.414 -1.415 1.00 0.00 C ATOM 1019 CG LYS p 63 -8.028 -3.559 -0.853 1.00 0.00 C ATOM 1020 CD LYS p 63 -7.495 -4.022 0.492 1.00 0.00 C ATOM 1021 CE LYS p 63 -8.315 -5.176 1.047 1.00 0.00 C ATOM 1022 NZ LYS p 63 -7.790 -5.650 2.356 1.00 0.00 N ATOM 0 H LYS p 63 -6.510 -3.081 -3.794 1.00 0.00 H new ATOM 0 HA LYS p 63 -8.868 -1.876 -2.609 1.00 0.00 H new ATOM 0 HB2 LYS p 63 -6.192 -2.771 -1.618 1.00 0.00 H new ATOM 0 HB3 LYS p 63 -7.118 -1.632 -0.660 1.00 0.00 H new ATOM 0 HG2 LYS p 63 -9.065 -3.242 -0.745 1.00 0.00 H new ATOM 0 HG3 LYS p 63 -8.021 -4.393 -1.555 1.00 0.00 H new ATOM 0 HD2 LYS p 63 -6.455 -4.331 0.386 1.00 0.00 H new ATOM 0 HD3 LYS p 63 -7.511 -3.191 1.197 1.00 0.00 H new ATOM 0 HE2 LYS p 63 -9.352 -4.861 1.164 1.00 0.00 H new ATOM 0 HE3 LYS p 63 -8.311 -6.000 0.334 1.00 0.00 H new ATOM 0 HZ1 LYS p 63 -8.376 -6.437 2.701 1.00 0.00 H new ATOM 0 HZ2 LYS p 63 -6.809 -5.974 2.240 1.00 0.00 H new ATOM 0 HZ3 LYS p 63 -7.818 -4.871 3.044 1.00 0.00 H new ATOM 1036 N LEU p 64 -6.467 -0.121 -3.824 1.00 0.00 N ATOM 1037 CA LEU p 64 -5.922 1.186 -4.181 1.00 0.00 C ATOM 1038 C LEU p 64 -6.891 1.939 -5.088 1.00 0.00 C ATOM 1039 O LEU p 64 -6.944 3.160 -5.105 1.00 0.00 O ATOM 1040 CB LEU p 64 -4.590 0.962 -4.908 1.00 0.00 C ATOM 1041 CG LEU p 64 -4.076 2.110 -5.771 1.00 0.00 C ATOM 1042 CD1 LEU p 64 -3.719 3.280 -4.894 1.00 0.00 C ATOM 1043 CD2 LEU p 64 -2.899 1.648 -6.601 1.00 0.00 C ATOM 0 H LEU p 64 -6.109 -0.872 -4.414 1.00 0.00 H new ATOM 0 HA LEU p 64 -5.769 1.783 -3.282 1.00 0.00 H new ATOM 0 HB2 LEU p 64 -3.830 0.732 -4.161 1.00 0.00 H new ATOM 0 HB3 LEU p 64 -4.692 0.081 -5.541 1.00 0.00 H new ATOM 0 HG LEU p 64 -4.856 2.433 -6.461 1.00 0.00 H new ATOM 0 HD11 LEU p 64 -3.352 4.099 -5.512 1.00 0.00 H new ATOM 0 HD12 LEU p 64 -4.603 3.607 -4.346 1.00 0.00 H new ATOM 0 HD13 LEU p 64 -2.944 2.982 -4.188 1.00 0.00 H new ATOM 0 HD21 LEU p 64 -2.539 2.475 -7.214 1.00 0.00 H new ATOM 0 HD22 LEU p 64 -2.099 1.310 -5.942 1.00 0.00 H new ATOM 0 HD23 LEU p 64 -3.209 0.826 -7.246 1.00 0.00 H new ATOM 1055 N GLN p 65 -7.574 1.135 -5.868 1.00 0.00 N ATOM 1056 CA GLN p 65 -8.606 1.499 -6.808 1.00 0.00 C ATOM 1057 C GLN p 65 -9.900 1.617 -6.013 1.00 0.00 C ATOM 1058 O GLN p 65 -10.879 2.211 -6.448 1.00 0.00 O ATOM 1059 CB GLN p 65 -8.675 0.391 -7.869 1.00 0.00 C ATOM 1060 CG GLN p 65 -10.019 0.244 -8.550 1.00 0.00 C ATOM 1061 CD GLN p 65 -9.918 0.180 -10.061 1.00 0.00 C ATOM 1062 OE1 GLN p 65 -9.965 1.205 -10.742 1.00 0.00 O ATOM 1063 NE2 GLN p 65 -9.778 -1.028 -10.595 1.00 0.00 N ATOM 0 H GLN p 65 -7.408 0.129 -5.860 1.00 0.00 H new ATOM 0 HA GLN p 65 -8.417 2.444 -7.317 1.00 0.00 H new ATOM 0 HB2 GLN p 65 -7.919 0.588 -8.629 1.00 0.00 H new ATOM 0 HB3 GLN p 65 -8.416 -0.558 -7.400 1.00 0.00 H new ATOM 0 HG2 GLN p 65 -10.507 -0.660 -8.186 1.00 0.00 H new ATOM 0 HG3 GLN p 65 -10.655 1.084 -8.270 1.00 0.00 H new ATOM 0 HE21 GLN p 65 -9.744 -1.851 -9.993 1.00 0.00 H new ATOM 0 HE22 GLN p 65 -9.705 -1.133 -11.607 1.00 0.00 H new ATOM 1072 N ALA p 66 -9.828 0.999 -4.837 1.00 0.00 N ATOM 1073 CA ALA p 66 -10.882 0.988 -3.830 1.00 0.00 C ATOM 1074 C ALA p 66 -10.570 2.119 -2.872 1.00 0.00 C ATOM 1075 O ALA p 66 -11.423 2.587 -2.123 1.00 0.00 O ATOM 1076 CB ALA p 66 -10.943 -0.344 -3.100 1.00 0.00 C ATOM 0 H ALA p 66 -9.003 0.473 -4.550 1.00 0.00 H new ATOM 0 HA ALA p 66 -11.859 1.122 -4.294 1.00 0.00 H new ATOM 0 HB1 ALA p 66 -11.740 -0.316 -2.357 1.00 0.00 H new ATOM 0 HB2 ALA p 66 -11.142 -1.142 -3.815 1.00 0.00 H new ATOM 0 HB3 ALA p 66 -9.991 -0.531 -2.604 1.00 0.00 H new ATOM 1082 N LEU p 67 -9.288 2.515 -2.937 1.00 0.00 N ATOM 1083 CA LEU p 67 -8.722 3.633 -2.196 1.00 0.00 C ATOM 1084 C LEU p 67 -8.955 4.863 -3.067 1.00 0.00 C ATOM 1085 O LEU p 67 -9.280 5.945 -2.592 1.00 0.00 O ATOM 1086 CB LEU p 67 -7.210 3.385 -1.959 1.00 0.00 C ATOM 1087 CG LEU p 67 -6.381 4.439 -1.176 1.00 0.00 C ATOM 1088 CD1 LEU p 67 -5.256 4.952 -2.056 1.00 0.00 C ATOM 1089 CD2 LEU p 67 -7.228 5.603 -0.701 1.00 0.00 C ATOM 0 H LEU p 67 -8.603 2.045 -3.528 1.00 0.00 H new ATOM 0 HA LEU p 67 -9.181 3.761 -1.216 1.00 0.00 H new ATOM 0 HB2 LEU p 67 -7.112 2.435 -1.434 1.00 0.00 H new ATOM 0 HB3 LEU p 67 -6.742 3.259 -2.935 1.00 0.00 H new ATOM 0 HG LEU p 67 -5.977 3.948 -0.290 1.00 0.00 H new ATOM 0 HD11 LEU p 67 -4.673 5.692 -1.507 1.00 0.00 H new ATOM 0 HD12 LEU p 67 -4.611 4.122 -2.342 1.00 0.00 H new ATOM 0 HD13 LEU p 67 -5.675 5.411 -2.951 1.00 0.00 H new ATOM 0 HD21 LEU p 67 -6.602 6.312 -0.159 1.00 0.00 H new ATOM 0 HD22 LEU p 67 -7.678 6.100 -1.560 1.00 0.00 H new ATOM 0 HD23 LEU p 67 -8.014 5.236 -0.041 1.00 0.00 H new ATOM 1101 N LYS p 68 -8.775 4.627 -4.360 1.00 0.00 N ATOM 1102 CA LYS p 68 -9.001 5.617 -5.411 1.00 0.00 C ATOM 1103 C LYS p 68 -10.491 5.762 -5.620 1.00 0.00 C ATOM 1104 O LYS p 68 -10.958 6.803 -6.068 1.00 0.00 O ATOM 1105 CB LYS p 68 -8.309 5.247 -6.724 1.00 0.00 C ATOM 1106 CG LYS p 68 -6.851 5.672 -6.787 1.00 0.00 C ATOM 1107 CD LYS p 68 -6.224 5.311 -8.126 1.00 0.00 C ATOM 1108 CE LYS p 68 -4.770 5.746 -8.197 1.00 0.00 C ATOM 1109 NZ LYS p 68 -4.150 5.398 -9.506 1.00 0.00 N ATOM 0 H LYS p 68 -8.461 3.724 -4.717 1.00 0.00 H new ATOM 0 HA LYS p 68 -8.565 6.564 -5.092 1.00 0.00 H new ATOM 0 HB2 LYS p 68 -8.370 4.168 -6.865 1.00 0.00 H new ATOM 0 HB3 LYS p 68 -8.849 5.708 -7.551 1.00 0.00 H new ATOM 0 HG2 LYS p 68 -6.777 6.748 -6.627 1.00 0.00 H new ATOM 0 HG3 LYS p 68 -6.295 5.191 -5.982 1.00 0.00 H new ATOM 0 HD2 LYS p 68 -6.290 4.234 -8.281 1.00 0.00 H new ATOM 0 HD3 LYS p 68 -6.786 5.784 -8.931 1.00 0.00 H new ATOM 0 HE2 LYS p 68 -4.705 6.823 -8.039 1.00 0.00 H new ATOM 0 HE3 LYS p 68 -4.209 5.271 -7.392 1.00 0.00 H new ATOM 0 HZ1 LYS p 68 -3.158 5.711 -9.515 1.00 0.00 H new ATOM 0 HZ2 LYS p 68 -4.189 4.368 -9.646 1.00 0.00 H new ATOM 0 HZ3 LYS p 68 -4.669 5.871 -10.273 1.00 0.00 H new ATOM 1123 N LYS p 69 -11.221 4.672 -5.315 1.00 0.00 N ATOM 1124 CA LYS p 69 -12.680 4.684 -5.337 1.00 0.00 C ATOM 1125 C LYS p 69 -13.147 5.278 -4.014 1.00 0.00 C ATOM 1126 O LYS p 69 -14.297 5.688 -3.864 1.00 0.00 O ATOM 1127 CB LYS p 69 -13.253 3.286 -5.525 1.00 0.00 C ATOM 1128 CG LYS p 69 -13.768 3.022 -6.928 1.00 0.00 C ATOM 1129 CD LYS p 69 -14.802 1.909 -6.942 1.00 0.00 C ATOM 1130 CE LYS p 69 -15.321 1.648 -8.346 1.00 0.00 C ATOM 1131 NZ LYS p 69 -16.335 0.559 -8.369 1.00 0.00 N ATOM 0 H LYS p 69 -10.815 3.774 -5.051 1.00 0.00 H new ATOM 0 HA LYS p 69 -13.032 5.279 -6.180 1.00 0.00 H new ATOM 0 HB2 LYS p 69 -12.483 2.552 -5.286 1.00 0.00 H new ATOM 0 HB3 LYS p 69 -14.067 3.138 -4.815 1.00 0.00 H new ATOM 0 HG2 LYS p 69 -14.208 3.934 -7.333 1.00 0.00 H new ATOM 0 HG3 LYS p 69 -12.935 2.754 -7.578 1.00 0.00 H new ATOM 0 HD2 LYS p 69 -14.361 0.997 -6.541 1.00 0.00 H new ATOM 0 HD3 LYS p 69 -15.633 2.175 -6.289 1.00 0.00 H new ATOM 0 HE2 LYS p 69 -15.760 2.562 -8.746 1.00 0.00 H new ATOM 0 HE3 LYS p 69 -14.488 1.383 -8.997 1.00 0.00 H new ATOM 0 HZ1 LYS p 69 -16.664 0.412 -9.344 1.00 0.00 H new ATOM 0 HZ2 LYS p 69 -15.909 -0.320 -8.011 1.00 0.00 H new ATOM 0 HZ3 LYS p 69 -17.142 0.823 -7.768 1.00 0.00 H new ATOM 1145 N LYS p 70 -12.194 5.286 -3.064 1.00 0.00 N ATOM 1146 CA LYS p 70 -12.358 5.871 -1.746 1.00 0.00 C ATOM 1147 C LYS p 70 -11.887 7.313 -1.821 1.00 0.00 C ATOM 1148 O LYS p 70 -12.275 8.158 -1.016 1.00 0.00 O ATOM 1149 CB LYS p 70 -11.539 5.120 -0.710 1.00 0.00 C ATOM 1150 CG LYS p 70 -12.371 4.247 0.211 1.00 0.00 C ATOM 1151 CD LYS p 70 -11.708 4.075 1.567 1.00 0.00 C ATOM 1152 CE LYS p 70 -12.533 3.188 2.484 1.00 0.00 C ATOM 1153 NZ LYS p 70 -11.881 2.998 3.810 1.00 0.00 N ATOM 0 H LYS p 70 -11.272 4.873 -3.207 1.00 0.00 H new ATOM 0 HA LYS p 70 -13.404 5.814 -1.446 1.00 0.00 H new ATOM 0 HB2 LYS p 70 -10.806 4.497 -1.222 1.00 0.00 H new ATOM 0 HB3 LYS p 70 -10.982 5.839 -0.109 1.00 0.00 H new ATOM 0 HG2 LYS p 70 -13.358 4.691 0.341 1.00 0.00 H new ATOM 0 HG3 LYS p 70 -12.520 3.270 -0.249 1.00 0.00 H new ATOM 0 HD2 LYS p 70 -10.717 3.641 1.436 1.00 0.00 H new ATOM 0 HD3 LYS p 70 -11.570 5.051 2.032 1.00 0.00 H new ATOM 0 HE2 LYS p 70 -13.519 3.630 2.625 1.00 0.00 H new ATOM 0 HE3 LYS p 70 -12.683 2.217 2.011 1.00 0.00 H new ATOM 0 HZ1 LYS p 70 -12.476 2.387 4.405 1.00 0.00 H new ATOM 0 HZ2 LYS p 70 -10.950 2.553 3.679 1.00 0.00 H new ATOM 0 HZ3 LYS p 70 -11.761 3.921 4.273 1.00 0.00 H new ATOM 1167 N ASN p 71 -11.006 7.539 -2.807 1.00 0.00 N ATOM 1168 CA ASN p 71 -10.460 8.859 -3.129 1.00 0.00 C ATOM 1169 C ASN p 71 -11.395 9.514 -4.143 1.00 0.00 C ATOM 1170 O ASN p 71 -11.323 10.712 -4.399 1.00 0.00 O ATOM 1171 CB ASN p 71 -9.043 8.758 -3.699 1.00 0.00 C ATOM 1172 CG ASN p 71 -8.207 9.991 -3.400 1.00 0.00 C ATOM 1173 OD1 ASN p 71 -7.528 10.062 -2.376 1.00 0.00 O ATOM 1174 ND2 ASN p 71 -8.252 10.969 -4.297 1.00 0.00 N ATOM 0 H ASN p 71 -10.650 6.797 -3.410 1.00 0.00 H new ATOM 0 HA ASN p 71 -10.394 9.458 -2.221 1.00 0.00 H new ATOM 0 HB2 ASN p 71 -8.550 7.879 -3.284 1.00 0.00 H new ATOM 0 HB3 ASN p 71 -9.098 8.613 -4.778 1.00 0.00 H new ATOM 0 HD21 ASN p 71 -7.710 11.821 -4.151 1.00 0.00 H new ATOM 0 HD22 ASN p 71 -8.828 10.869 -5.132 1.00 0.00 H new ATOM 1181 N ALA p 72 -12.247 8.652 -4.725 1.00 0.00 N ATOM 1182 CA ALA p 72 -13.297 9.016 -5.668 1.00 0.00 C ATOM 1183 C ALA p 72 -14.543 9.222 -4.843 1.00 0.00 C ATOM 1184 O ALA p 72 -15.493 9.876 -5.259 1.00 0.00 O ATOM 1185 CB ALA p 72 -13.526 7.940 -6.720 1.00 0.00 C ATOM 0 H ALA p 72 -12.215 7.650 -4.539 1.00 0.00 H new ATOM 0 HA ALA p 72 -13.017 9.914 -6.219 1.00 0.00 H new ATOM 0 HB1 ALA p 72 -14.317 8.258 -7.399 1.00 0.00 H new ATOM 0 HB2 ALA p 72 -12.607 7.781 -7.283 1.00 0.00 H new ATOM 0 HB3 ALA p 72 -13.818 7.010 -6.232 1.00 0.00 H new ATOM 1191 N GLN p 73 -14.487 8.596 -3.652 1.00 0.00 N ATOM 1192 CA GLN p 73 -15.477 8.674 -2.627 1.00 0.00 C ATOM 1193 C GLN p 73 -15.178 9.932 -1.846 1.00 0.00 C ATOM 1194 O GLN p 73 -16.060 10.605 -1.334 1.00 0.00 O ATOM 1195 CB GLN p 73 -15.290 7.462 -1.753 1.00 0.00 C ATOM 1196 CG GLN p 73 -16.291 7.342 -0.659 1.00 0.00 C ATOM 1197 CD GLN p 73 -17.193 6.131 -0.796 1.00 0.00 C ATOM 1198 OE1 GLN p 73 -16.885 5.052 -0.291 1.00 0.00 O ATOM 1199 NE2 GLN p 73 -18.316 6.305 -1.483 1.00 0.00 N ATOM 0 H GLN p 73 -13.701 8.000 -3.392 1.00 0.00 H new ATOM 0 HA GLN p 73 -16.498 8.701 -3.008 1.00 0.00 H new ATOM 0 HB2 GLN p 73 -15.338 6.568 -2.375 1.00 0.00 H new ATOM 0 HB3 GLN p 73 -14.292 7.493 -1.316 1.00 0.00 H new ATOM 0 HG2 GLN p 73 -15.769 7.290 0.297 1.00 0.00 H new ATOM 0 HG3 GLN p 73 -16.905 8.242 -0.639 1.00 0.00 H new ATOM 0 HE21 GLN p 73 -18.532 7.217 -1.885 1.00 0.00 H new ATOM 0 HE22 GLN p 73 -18.963 5.526 -1.609 1.00 0.00 H new ATOM 1208 N LEU p 74 -13.868 10.154 -1.746 1.00 0.00 N ATOM 1209 CA LEU p 74 -13.274 11.330 -1.125 1.00 0.00 C ATOM 1210 C LEU p 74 -13.398 12.488 -2.100 1.00 0.00 C ATOM 1211 O LEU p 74 -13.510 13.625 -1.712 1.00 0.00 O ATOM 1212 CB LEU p 74 -11.805 11.067 -0.799 1.00 0.00 C ATOM 1213 CG LEU p 74 -11.147 11.980 0.241 1.00 0.00 C ATOM 1214 CD1 LEU p 74 -11.576 11.622 1.663 1.00 0.00 C ATOM 1215 CD2 LEU p 74 -9.645 11.869 0.096 1.00 0.00 C ATOM 0 H LEU p 74 -13.173 9.500 -2.106 1.00 0.00 H new ATOM 0 HA LEU p 74 -13.788 11.567 -0.194 1.00 0.00 H new ATOM 0 HB2 LEU p 74 -11.715 10.038 -0.451 1.00 0.00 H new ATOM 0 HB3 LEU p 74 -11.234 11.142 -1.725 1.00 0.00 H new ATOM 0 HG LEU p 74 -11.468 13.006 0.064 1.00 0.00 H new ATOM 0 HD11 LEU p 74 -11.087 12.292 2.370 1.00 0.00 H new ATOM 0 HD12 LEU p 74 -12.657 11.725 1.753 1.00 0.00 H new ATOM 0 HD13 LEU p 74 -11.290 10.593 1.881 1.00 0.00 H new ATOM 0 HD21 LEU p 74 -9.160 12.513 0.829 1.00 0.00 H new ATOM 0 HD22 LEU p 74 -9.339 10.836 0.261 1.00 0.00 H new ATOM 0 HD23 LEU p 74 -9.353 12.178 -0.908 1.00 0.00 H new ATOM 1227 N LYS p 75 -13.404 12.136 -3.382 1.00 0.00 N ATOM 1228 CA LYS p 75 -13.580 13.086 -4.476 1.00 0.00 C ATOM 1229 C LYS p 75 -15.066 13.309 -4.612 1.00 0.00 C ATOM 1230 O LYS p 75 -15.532 14.304 -5.175 1.00 0.00 O ATOM 1231 CB LYS p 75 -13.007 12.536 -5.776 1.00 0.00 C ATOM 1232 CG LYS p 75 -11.916 13.394 -6.396 1.00 0.00 C ATOM 1233 CD LYS p 75 -12.402 14.091 -7.656 1.00 0.00 C ATOM 1234 CE LYS p 75 -11.311 14.950 -8.274 1.00 0.00 C ATOM 1235 NZ LYS p 75 -11.783 15.647 -9.503 1.00 0.00 N ATOM 0 H LYS p 75 -13.285 11.172 -3.694 1.00 0.00 H new ATOM 0 HA LYS p 75 -13.054 14.017 -4.267 1.00 0.00 H new ATOM 0 HB2 LYS p 75 -12.606 11.540 -5.589 1.00 0.00 H new ATOM 0 HB3 LYS p 75 -13.817 12.424 -6.497 1.00 0.00 H new ATOM 0 HG2 LYS p 75 -11.583 14.138 -5.673 1.00 0.00 H new ATOM 0 HG3 LYS p 75 -11.053 12.771 -6.633 1.00 0.00 H new ATOM 0 HD2 LYS p 75 -12.734 13.347 -8.380 1.00 0.00 H new ATOM 0 HD3 LYS p 75 -13.265 14.713 -7.419 1.00 0.00 H new ATOM 0 HE2 LYS p 75 -10.973 15.687 -7.546 1.00 0.00 H new ATOM 0 HE3 LYS p 75 -10.452 14.326 -8.518 1.00 0.00 H new ATOM 0 HZ1 LYS p 75 -11.010 16.222 -9.894 1.00 0.00 H new ATOM 0 HZ2 LYS p 75 -12.082 14.943 -10.208 1.00 0.00 H new ATOM 0 HZ3 LYS p 75 -12.587 16.263 -9.266 1.00 0.00 H new ATOM 1249 N LYS p 76 -15.792 12.325 -4.065 1.00 0.00 N ATOM 1250 CA LYS p 76 -17.246 12.357 -4.004 1.00 0.00 C ATOM 1251 C LYS p 76 -17.640 13.046 -2.719 1.00 0.00 C ATOM 1252 O LYS p 76 -18.667 13.726 -2.645 1.00 0.00 O ATOM 1253 CB LYS p 76 -17.832 10.953 -4.055 1.00 0.00 C ATOM 1254 CG LYS p 76 -18.470 10.590 -5.387 1.00 0.00 C ATOM 1255 CD LYS p 76 -19.970 10.854 -5.387 1.00 0.00 C ATOM 1256 CE LYS p 76 -20.616 10.460 -6.709 1.00 0.00 C ATOM 1257 NZ LYS p 76 -20.713 8.980 -6.869 1.00 0.00 N ATOM 0 H LYS p 76 -15.381 11.487 -3.654 1.00 0.00 H new ATOM 0 HA LYS p 76 -17.638 12.899 -4.865 1.00 0.00 H new ATOM 0 HB2 LYS p 76 -17.043 10.234 -3.835 1.00 0.00 H new ATOM 0 HB3 LYS p 76 -18.580 10.855 -3.268 1.00 0.00 H new ATOM 0 HG2 LYS p 76 -18.000 11.166 -6.184 1.00 0.00 H new ATOM 0 HG3 LYS p 76 -18.286 9.538 -5.603 1.00 0.00 H new ATOM 0 HD2 LYS p 76 -20.437 10.297 -4.575 1.00 0.00 H new ATOM 0 HD3 LYS p 76 -20.153 11.911 -5.195 1.00 0.00 H new ATOM 0 HE2 LYS p 76 -21.613 10.896 -6.769 1.00 0.00 H new ATOM 0 HE3 LYS p 76 -20.036 10.876 -7.533 1.00 0.00 H new ATOM 0 HZ1 LYS p 76 -21.189 8.758 -7.767 1.00 0.00 H new ATOM 0 HZ2 LYS p 76 -19.758 8.568 -6.872 1.00 0.00 H new ATOM 0 HZ3 LYS p 76 -21.260 8.581 -6.079 1.00 0.00 H new ATOM 1271 N LYS p 77 -16.790 12.849 -1.703 1.00 0.00 N ATOM 1272 CA LYS p 77 -16.974 13.491 -0.408 1.00 0.00 C ATOM 1273 C LYS p 77 -16.365 14.886 -0.435 1.00 0.00 C ATOM 1274 O LYS p 77 -16.705 15.737 0.392 1.00 0.00 O ATOM 1275 CB LYS p 77 -16.347 12.657 0.707 1.00 0.00 C ATOM 1276 CG LYS p 77 -17.354 11.925 1.583 1.00 0.00 C ATOM 1277 CD LYS p 77 -17.759 12.755 2.796 1.00 0.00 C ATOM 1278 CE LYS p 77 -18.743 12.011 3.690 1.00 0.00 C ATOM 1279 NZ LYS p 77 -20.106 11.938 3.089 1.00 0.00 N ATOM 0 H LYS p 77 -15.968 12.248 -1.760 1.00 0.00 H new ATOM 0 HA LYS p 77 -18.042 13.571 -0.207 1.00 0.00 H new ATOM 0 HB2 LYS p 77 -15.671 11.927 0.262 1.00 0.00 H new ATOM 0 HB3 LYS p 77 -15.742 13.309 1.336 1.00 0.00 H new ATOM 0 HG2 LYS p 77 -18.240 11.685 0.995 1.00 0.00 H new ATOM 0 HG3 LYS p 77 -16.926 10.979 1.916 1.00 0.00 H new ATOM 0 HD2 LYS p 77 -16.870 13.015 3.371 1.00 0.00 H new ATOM 0 HD3 LYS p 77 -18.207 13.691 2.462 1.00 0.00 H new ATOM 0 HE2 LYS p 77 -18.374 11.002 3.873 1.00 0.00 H new ATOM 0 HE3 LYS p 77 -18.801 12.509 4.658 1.00 0.00 H new ATOM 0 HZ1 LYS p 77 -20.742 11.424 3.732 1.00 0.00 H new ATOM 0 HZ2 LYS p 77 -20.471 12.900 2.938 1.00 0.00 H new ATOM 0 HZ3 LYS p 77 -20.057 11.439 2.178 1.00 0.00 H new ATOM 1293 N LEU p 78 -15.453 15.102 -1.402 1.00 0.00 N ATOM 1294 CA LEU p 78 -14.795 16.403 -1.594 1.00 0.00 C ATOM 1295 C LEU p 78 -15.803 17.531 -1.817 1.00 0.00 C ATOM 1296 O LEU p 78 -15.860 18.500 -1.054 1.00 0.00 O ATOM 1297 CB LEU p 78 -13.858 16.322 -2.803 1.00 0.00 C ATOM 1298 CG LEU p 78 -12.366 16.485 -2.519 1.00 0.00 C ATOM 1299 CD1 LEU p 78 -11.572 16.105 -3.753 1.00 0.00 C ATOM 1300 CD2 LEU p 78 -12.057 17.912 -2.109 1.00 0.00 C ATOM 0 H LEU p 78 -15.156 14.386 -2.065 1.00 0.00 H new ATOM 0 HA LEU p 78 -14.236 16.629 -0.686 1.00 0.00 H new ATOM 0 HB2 LEU p 78 -14.010 15.358 -3.289 1.00 0.00 H new ATOM 0 HB3 LEU p 78 -14.155 17.089 -3.518 1.00 0.00 H new ATOM 0 HG LEU p 78 -12.085 15.827 -1.696 1.00 0.00 H new ATOM 0 HD11 LEU p 78 -10.507 16.221 -3.551 1.00 0.00 H new ATOM 0 HD12 LEU p 78 -11.781 15.068 -4.015 1.00 0.00 H new ATOM 0 HD13 LEU p 78 -11.856 16.753 -4.582 1.00 0.00 H new ATOM 0 HD21 LEU p 78 -10.990 18.011 -1.910 1.00 0.00 H new ATOM 0 HD22 LEU p 78 -12.341 18.591 -2.913 1.00 0.00 H new ATOM 0 HD23 LEU p 78 -12.618 18.161 -1.208 1.00 0.00 H new ATOM 1312 N GLN p 79 -16.582 17.371 -2.876 1.00 0.00 N ATOM 1313 CA GLN p 79 -17.618 18.317 -3.268 1.00 0.00 C ATOM 1314 C GLN p 79 -18.963 17.978 -2.625 1.00 0.00 C ATOM 1315 O GLN p 79 -19.681 18.861 -2.152 1.00 0.00 O ATOM 1316 CB GLN p 79 -17.754 18.350 -4.800 1.00 0.00 C ATOM 1317 CG GLN p 79 -17.558 17.007 -5.504 1.00 0.00 C ATOM 1318 CD GLN p 79 -17.708 17.111 -7.009 1.00 0.00 C ATOM 1319 OE1 GLN p 79 -16.737 17.352 -7.726 1.00 0.00 O ATOM 1320 NE2 GLN p 79 -18.930 16.929 -7.496 1.00 0.00 N ATOM 0 H GLN p 79 -16.511 16.566 -3.499 1.00 0.00 H new ATOM 0 HA GLN p 79 -17.320 19.303 -2.913 1.00 0.00 H new ATOM 0 HB2 GLN p 79 -18.743 18.732 -5.052 1.00 0.00 H new ATOM 0 HB3 GLN p 79 -17.028 19.059 -5.197 1.00 0.00 H new ATOM 0 HG2 GLN p 79 -16.568 16.618 -5.267 1.00 0.00 H new ATOM 0 HG3 GLN p 79 -18.283 16.290 -5.119 1.00 0.00 H new ATOM 0 HE21 GLN p 79 -19.706 16.731 -6.865 1.00 0.00 H new ATOM 0 HE22 GLN p 79 -19.092 16.987 -8.501 1.00 0.00 H new ATOM 1329 N ALA p 80 -19.274 16.676 -2.619 1.00 0.00 N ATOM 1330 CA ALA p 80 -20.525 16.117 -2.051 1.00 0.00 C ATOM 1331 C ALA p 80 -21.776 16.658 -2.758 1.00 0.00 C ATOM 1332 O ALA p 80 -22.458 15.860 -3.434 1.00 0.00 O ATOM 1333 CB ALA p 80 -20.610 16.353 -0.539 1.00 0.00 C ATOM 1334 OXT ALA p 80 -22.057 17.871 -2.636 1.00 0.00 O ATOM 0 H ALA p 80 -18.660 15.963 -3.013 1.00 0.00 H new ATOM 0 HA ALA p 80 -20.492 15.042 -2.225 1.00 0.00 H new ATOM 0 HB1 ALA p 80 -21.539 15.931 -0.156 1.00 0.00 H new ATOM 0 HB2 ALA p 80 -19.764 15.873 -0.048 1.00 0.00 H new ATOM 0 HB3 ALA p 80 -20.588 17.424 -0.336 1.00 0.00 H new