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 20 LYS NZ :NH3+ 166:sc= -0.547 (180deg=0) USER MOD Set 1.2: p 27 LYS NZ :NH3+ -145:sc= -1.29 (180deg=-0.392) 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= -0.139 K(o=-0.14,f=-1.2!) USER MOD Single : p 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : p 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : p 51 GLN : amide:sc= -0.905 K(o=-0.9,f=-0.25) USER MOD Single : p 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : p 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : p 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : p 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : p 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : p 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : p 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : p 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : p 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : p 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : p 71 ASN : amide:sc= 0 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+ 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 -5.256 20.826 6.295 1.00 0.00 N ATOM 38 CA ALA p 3 -5.911 19.913 7.231 1.00 0.00 C ATOM 39 C ALA p 3 -6.471 18.691 6.525 1.00 0.00 C ATOM 40 O ALA p 3 -6.383 17.576 7.025 1.00 0.00 O ATOM 41 CB ALA p 3 -7.004 20.640 8.005 1.00 0.00 C ATOM 0 HA ALA p 3 -5.157 19.563 7.936 1.00 0.00 H new ATOM 0 HB1 ALA p 3 -7.482 19.947 8.697 1.00 0.00 H new ATOM 0 HB2 ALA p 3 -6.566 21.467 8.564 1.00 0.00 H new ATOM 0 HB3 ALA p 3 -7.747 21.027 7.308 1.00 0.00 H new ATOM 47 N LEU p 4 -7.104 18.959 5.391 1.00 0.00 N ATOM 48 CA LEU p 4 -7.730 17.967 4.546 1.00 0.00 C ATOM 49 C LEU p 4 -6.793 17.572 3.413 1.00 0.00 C ATOM 50 O LEU p 4 -6.499 16.399 3.202 1.00 0.00 O ATOM 51 CB LEU p 4 -9.081 18.519 4.018 1.00 0.00 C ATOM 52 CG LEU p 4 -10.004 17.540 3.255 1.00 0.00 C ATOM 53 CD1 LEU p 4 -9.685 17.556 1.769 1.00 0.00 C ATOM 54 CD2 LEU p 4 -9.886 16.126 3.806 1.00 0.00 C ATOM 0 H LEU p 4 -7.196 19.907 5.027 1.00 0.00 H new ATOM 0 HA LEU p 4 -7.935 17.065 5.122 1.00 0.00 H new ATOM 0 HB2 LEU p 4 -9.638 18.913 4.868 1.00 0.00 H new ATOM 0 HB3 LEU p 4 -8.866 19.361 3.360 1.00 0.00 H new ATOM 0 HG LEU p 4 -11.032 17.872 3.397 1.00 0.00 H new ATOM 0 HD11 LEU p 4 -10.344 16.861 1.248 1.00 0.00 H new ATOM 0 HD12 LEU p 4 -9.834 18.562 1.376 1.00 0.00 H new ATOM 0 HD13 LEU p 4 -8.648 17.256 1.616 1.00 0.00 H new ATOM 0 HD21 LEU p 4 -10.547 15.462 3.249 1.00 0.00 H new ATOM 0 HD22 LEU p 4 -8.857 15.781 3.706 1.00 0.00 H new ATOM 0 HD23 LEU p 4 -10.170 16.121 4.858 1.00 0.00 H new ATOM 66 N GLU p 5 -6.344 18.609 2.705 1.00 0.00 N ATOM 67 CA GLU p 5 -5.451 18.502 1.536 1.00 0.00 C ATOM 68 C GLU p 5 -4.082 17.956 1.893 1.00 0.00 C ATOM 69 O GLU p 5 -3.457 17.275 1.086 1.00 0.00 O ATOM 70 CB GLU p 5 -5.272 19.865 0.855 1.00 0.00 C ATOM 71 CG GLU p 5 -6.496 20.764 0.932 1.00 0.00 C ATOM 72 CD GLU p 5 -6.949 21.260 -0.428 1.00 0.00 C ATOM 73 OE1 GLU p 5 -7.764 20.566 -1.071 1.00 0.00 O ATOM 74 OE2 GLU p 5 -6.490 22.343 -0.847 1.00 0.00 O ATOM 0 H GLU p 5 -6.593 19.572 2.929 1.00 0.00 H new ATOM 0 HA GLU p 5 -5.934 17.801 0.855 1.00 0.00 H new ATOM 0 HB2 GLU p 5 -4.427 20.380 1.313 1.00 0.00 H new ATOM 0 HB3 GLU p 5 -5.018 19.705 -0.193 1.00 0.00 H new ATOM 0 HG2 GLU p 5 -7.313 20.218 1.405 1.00 0.00 H new ATOM 0 HG3 GLU p 5 -6.273 21.619 1.570 1.00 0.00 H new ATOM 81 N LYS p 6 -3.637 18.278 3.101 1.00 0.00 N ATOM 82 CA LYS p 6 -2.340 17.821 3.610 1.00 0.00 C ATOM 83 C LYS p 6 -2.512 16.536 4.406 1.00 0.00 C ATOM 84 O LYS p 6 -1.535 15.900 4.779 1.00 0.00 O ATOM 85 CB LYS p 6 -1.644 18.887 4.454 1.00 0.00 C ATOM 86 CG LYS p 6 -0.940 19.970 3.640 1.00 0.00 C ATOM 87 CD LYS p 6 0.449 19.532 3.180 1.00 0.00 C ATOM 88 CE LYS p 6 1.152 20.623 2.383 1.00 0.00 C ATOM 89 NZ LYS p 6 0.572 20.786 1.019 1.00 0.00 N ATOM 0 H LYS p 6 -4.158 18.860 3.757 1.00 0.00 H new ATOM 0 HA LYS p 6 -1.700 17.626 2.749 1.00 0.00 H new ATOM 0 HB2 LYS p 6 -2.381 19.358 5.104 1.00 0.00 H new ATOM 0 HB3 LYS p 6 -0.913 18.402 5.101 1.00 0.00 H new ATOM 0 HG2 LYS p 6 -1.547 20.221 2.770 1.00 0.00 H new ATOM 0 HG3 LYS p 6 -0.854 20.876 4.241 1.00 0.00 H new ATOM 0 HD2 LYS p 6 1.053 19.270 4.048 1.00 0.00 H new ATOM 0 HD3 LYS p 6 0.363 18.634 2.569 1.00 0.00 H new ATOM 0 HE2 LYS p 6 1.080 21.568 2.922 1.00 0.00 H new ATOM 0 HE3 LYS p 6 2.212 20.384 2.299 1.00 0.00 H new ATOM 0 HZ1 LYS p 6 1.081 21.539 0.513 1.00 0.00 H new ATOM 0 HZ2 LYS p 6 0.663 19.893 0.494 1.00 0.00 H new ATOM 0 HZ3 LYS p 6 -0.433 21.040 1.097 1.00 0.00 H new ATOM 103 N GLU p 7 -3.780 16.202 4.683 1.00 0.00 N ATOM 104 CA GLU p 7 -4.172 14.968 5.356 1.00 0.00 C ATOM 105 C GLU p 7 -4.368 13.923 4.262 1.00 0.00 C ATOM 106 O GLU p 7 -4.297 12.719 4.483 1.00 0.00 O ATOM 107 CB GLU p 7 -5.463 15.220 6.141 1.00 0.00 C ATOM 108 CG GLU p 7 -6.392 14.026 6.274 1.00 0.00 C ATOM 109 CD GLU p 7 -6.608 13.602 7.713 1.00 0.00 C ATOM 110 OE1 GLU p 7 -7.532 14.140 8.358 1.00 0.00 O ATOM 111 OE2 GLU p 7 -5.852 12.732 8.196 1.00 0.00 O ATOM 0 H GLU p 7 -4.572 16.796 4.439 1.00 0.00 H new ATOM 0 HA GLU p 7 -3.422 14.621 6.067 1.00 0.00 H new ATOM 0 HB2 GLU p 7 -5.198 15.565 7.140 1.00 0.00 H new ATOM 0 HB3 GLU p 7 -6.009 16.031 5.658 1.00 0.00 H new ATOM 0 HG2 GLU p 7 -7.355 14.270 5.824 1.00 0.00 H new ATOM 0 HG3 GLU p 7 -5.980 13.188 5.712 1.00 0.00 H new ATOM 118 N LEU p 8 -4.624 14.484 3.083 1.00 0.00 N ATOM 119 CA LEU p 8 -4.816 13.798 1.832 1.00 0.00 C ATOM 120 C LEU p 8 -3.461 13.712 1.154 1.00 0.00 C ATOM 121 O LEU p 8 -3.194 12.797 0.385 1.00 0.00 O ATOM 122 CB LEU p 8 -5.823 14.596 0.979 1.00 0.00 C ATOM 123 CG LEU p 8 -5.621 14.571 -0.540 1.00 0.00 C ATOM 124 CD1 LEU p 8 -5.910 13.191 -1.074 1.00 0.00 C ATOM 125 CD2 LEU p 8 -6.492 15.617 -1.210 1.00 0.00 C ATOM 0 H LEU p 8 -4.706 15.496 2.982 1.00 0.00 H new ATOM 0 HA LEU p 8 -5.216 12.794 1.972 1.00 0.00 H new ATOM 0 HB2 LEU p 8 -6.823 14.219 1.194 1.00 0.00 H new ATOM 0 HB3 LEU p 8 -5.797 15.635 1.307 1.00 0.00 H new ATOM 0 HG LEU p 8 -4.583 14.813 -0.766 1.00 0.00 H new ATOM 0 HD11 LEU p 8 -5.764 13.181 -2.154 1.00 0.00 H new ATOM 0 HD12 LEU p 8 -5.234 12.472 -0.610 1.00 0.00 H new ATOM 0 HD13 LEU p 8 -6.941 12.920 -0.844 1.00 0.00 H new ATOM 0 HD21 LEU p 8 -6.335 15.585 -2.288 1.00 0.00 H new ATOM 0 HD22 LEU p 8 -7.540 15.414 -0.989 1.00 0.00 H new ATOM 0 HD23 LEU p 8 -6.228 16.605 -0.834 1.00 0.00 H new ATOM 137 N ALA p 9 -2.657 14.741 1.437 1.00 0.00 N ATOM 138 CA ALA p 9 -1.274 14.846 0.965 1.00 0.00 C ATOM 139 C ALA p 9 -0.404 14.038 1.913 1.00 0.00 C ATOM 140 O ALA p 9 0.718 13.645 1.584 1.00 0.00 O ATOM 141 CB ALA p 9 -0.782 16.283 0.882 1.00 0.00 C ATOM 0 H ALA p 9 -2.952 15.534 2.007 1.00 0.00 H new ATOM 0 HA ALA p 9 -1.219 14.457 -0.052 1.00 0.00 H new ATOM 0 HB1 ALA p 9 0.248 16.295 0.526 1.00 0.00 H new ATOM 0 HB2 ALA p 9 -1.411 16.844 0.191 1.00 0.00 H new ATOM 0 HB3 ALA p 9 -0.830 16.742 1.870 1.00 0.00 H new ATOM 147 N GLN p 10 -0.975 13.812 3.107 1.00 0.00 N ATOM 148 CA GLN p 10 -0.378 12.996 4.145 1.00 0.00 C ATOM 149 C GLN p 10 -0.869 11.584 3.905 1.00 0.00 C ATOM 150 O GLN p 10 -0.187 10.625 4.208 1.00 0.00 O ATOM 151 CB GLN p 10 -0.779 13.519 5.530 1.00 0.00 C ATOM 152 CG GLN p 10 -0.949 12.465 6.613 1.00 0.00 C ATOM 153 CD GLN p 10 0.106 12.563 7.698 1.00 0.00 C ATOM 154 OE1 GLN p 10 -0.077 13.259 8.696 1.00 0.00 O ATOM 155 NE2 GLN p 10 1.219 11.863 7.508 1.00 0.00 N ATOM 0 H GLN p 10 -1.879 14.203 3.370 1.00 0.00 H new ATOM 0 HA GLN p 10 0.711 13.027 4.114 1.00 0.00 H new ATOM 0 HB2 GLN p 10 -0.025 14.233 5.860 1.00 0.00 H new ATOM 0 HB3 GLN p 10 -1.716 14.067 5.433 1.00 0.00 H new ATOM 0 HG2 GLN p 10 -1.937 12.568 7.062 1.00 0.00 H new ATOM 0 HG3 GLN p 10 -0.907 11.475 6.160 1.00 0.00 H new ATOM 0 HE21 GLN p 10 1.329 11.299 6.665 1.00 0.00 H new ATOM 0 HE22 GLN p 10 1.963 11.890 8.205 1.00 0.00 H new ATOM 164 N ASN p 11 -2.079 11.527 3.328 1.00 0.00 N ATOM 165 CA ASN p 11 -2.750 10.285 2.927 1.00 0.00 C ATOM 166 C ASN p 11 -2.156 9.877 1.599 1.00 0.00 C ATOM 167 O ASN p 11 -2.244 8.724 1.180 1.00 0.00 O ATOM 168 CB ASN p 11 -4.266 10.461 2.788 1.00 0.00 C ATOM 169 CG ASN p 11 -5.046 9.180 3.056 1.00 0.00 C ATOM 170 OD1 ASN p 11 -4.665 8.364 3.899 1.00 0.00 O ATOM 171 ND2 ASN p 11 -6.147 9.000 2.337 1.00 0.00 N ATOM 0 H ASN p 11 -2.628 12.362 3.124 1.00 0.00 H new ATOM 0 HA ASN p 11 -2.597 9.525 3.693 1.00 0.00 H new ATOM 0 HB2 ASN p 11 -4.600 11.234 3.480 1.00 0.00 H new ATOM 0 HB3 ASN p 11 -4.494 10.814 1.782 1.00 0.00 H new ATOM 0 HD21 ASN p 11 -6.713 8.162 2.472 1.00 0.00 H new ATOM 0 HD22 ASN p 11 -6.427 9.700 1.650 1.00 0.00 H new ATOM 178 N GLU p 12 -1.562 10.892 0.953 1.00 0.00 N ATOM 179 CA GLU p 12 -0.850 10.773 -0.270 1.00 0.00 C ATOM 180 C GLU p 12 0.535 10.317 0.113 1.00 0.00 C ATOM 181 O GLU p 12 1.183 9.568 -0.591 1.00 0.00 O ATOM 182 CB GLU p 12 -0.790 12.141 -0.892 1.00 0.00 C ATOM 183 CG GLU p 12 -0.101 12.180 -2.209 1.00 0.00 C ATOM 184 CD GLU p 12 -1.005 12.592 -3.354 1.00 0.00 C ATOM 185 OE1 GLU p 12 -1.625 11.701 -3.971 1.00 0.00 O ATOM 186 OE2 GLU p 12 -1.093 13.806 -3.633 1.00 0.00 O ATOM 0 H GLU p 12 -1.582 11.848 1.308 1.00 0.00 H new ATOM 0 HA GLU p 12 -1.309 10.079 -0.974 1.00 0.00 H new ATOM 0 HB2 GLU p 12 -1.806 12.518 -1.014 1.00 0.00 H new ATOM 0 HB3 GLU p 12 -0.279 12.818 -0.207 1.00 0.00 H new ATOM 0 HG2 GLU p 12 0.737 12.874 -2.151 1.00 0.00 H new ATOM 0 HG3 GLU p 12 0.315 11.195 -2.422 1.00 0.00 H new ATOM 193 N TRP p 13 0.931 10.853 1.265 1.00 0.00 N ATOM 194 CA TRP p 13 2.199 10.557 1.936 1.00 0.00 C ATOM 195 C TRP p 13 2.074 9.218 2.645 1.00 0.00 C ATOM 196 O TRP p 13 3.074 8.616 3.013 1.00 0.00 O ATOM 197 CB TRP p 13 2.576 11.657 2.931 1.00 0.00 C ATOM 198 CG TRP p 13 4.056 11.772 3.170 1.00 0.00 C ATOM 199 CD1 TRP p 13 4.935 12.553 2.476 1.00 0.00 C ATOM 200 CD2 TRP p 13 4.830 11.088 4.169 1.00 0.00 C ATOM 201 NE1 TRP p 13 6.204 12.399 2.978 1.00 0.00 N ATOM 202 CE2 TRP p 13 6.167 11.505 4.015 1.00 0.00 C ATOM 203 CE3 TRP p 13 4.527 10.163 5.178 1.00 0.00 C ATOM 204 CZ2 TRP p 13 7.194 11.032 4.830 1.00 0.00 C ATOM 205 CZ3 TRP p 13 5.549 9.696 5.984 1.00 0.00 C ATOM 206 CH2 TRP p 13 6.868 10.131 5.806 1.00 0.00 C ATOM 0 H TRP p 13 0.361 11.528 1.776 1.00 0.00 H new ATOM 0 HA TRP p 13 2.993 10.512 1.191 1.00 0.00 H new ATOM 0 HB2 TRP p 13 2.201 12.612 2.563 1.00 0.00 H new ATOM 0 HB3 TRP p 13 2.077 11.463 3.881 1.00 0.00 H new ATOM 0 HD1 TRP p 13 4.671 13.199 1.652 1.00 0.00 H new ATOM 0 HE1 TRP p 13 7.039 12.874 2.634 1.00 0.00 H new ATOM 0 HE3 TRP p 13 3.513 9.821 5.323 1.00 0.00 H new ATOM 0 HZ2 TRP p 13 8.212 11.366 4.695 1.00 0.00 H new ATOM 0 HZ3 TRP p 13 5.326 8.983 6.764 1.00 0.00 H new ATOM 0 HH2 TRP p 13 7.643 9.747 6.452 1.00 0.00 H new ATOM 217 N GLU p 14 0.812 8.809 2.868 1.00 0.00 N ATOM 218 CA GLU p 14 0.478 7.489 3.441 1.00 0.00 C ATOM 219 C GLU p 14 0.281 6.579 2.270 1.00 0.00 C ATOM 220 O GLU p 14 0.222 5.364 2.392 1.00 0.00 O ATOM 221 CB GLU p 14 -0.786 7.490 4.287 1.00 0.00 C ATOM 222 CG GLU p 14 -0.732 8.514 5.378 1.00 0.00 C ATOM 223 CD GLU p 14 -1.255 8.010 6.709 1.00 0.00 C ATOM 224 OE1 GLU p 14 -2.471 8.149 6.960 1.00 0.00 O ATOM 225 OE2 GLU p 14 -0.449 7.478 7.500 1.00 0.00 O ATOM 0 H GLU p 14 -0.005 9.382 2.657 1.00 0.00 H new ATOM 0 HA GLU p 14 1.280 7.178 4.110 1.00 0.00 H new ATOM 0 HB2 GLU p 14 -1.648 7.685 3.650 1.00 0.00 H new ATOM 0 HB3 GLU p 14 -0.930 6.502 4.724 1.00 0.00 H new ATOM 0 HG2 GLU p 14 0.299 8.845 5.504 1.00 0.00 H new ATOM 0 HG3 GLU p 14 -1.312 9.386 5.076 1.00 0.00 H new ATOM 232 N LEU p 15 0.104 7.268 1.147 1.00 0.00 N ATOM 233 CA LEU p 15 -0.014 6.671 -0.180 1.00 0.00 C ATOM 234 C LEU p 15 1.402 6.555 -0.752 1.00 0.00 C ATOM 235 O LEU p 15 1.675 5.745 -1.633 1.00 0.00 O ATOM 236 CB LEU p 15 -0.915 7.523 -1.100 1.00 0.00 C ATOM 237 CG LEU p 15 -1.240 6.965 -2.502 1.00 0.00 C ATOM 238 CD1 LEU p 15 -0.252 7.511 -3.517 1.00 0.00 C ATOM 239 CD2 LEU p 15 -1.221 5.446 -2.509 1.00 0.00 C ATOM 0 H LEU p 15 0.037 8.286 1.134 1.00 0.00 H new ATOM 0 HA LEU p 15 -0.482 5.689 -0.113 1.00 0.00 H new ATOM 0 HB2 LEU p 15 -1.858 7.695 -0.581 1.00 0.00 H new ATOM 0 HB3 LEU p 15 -0.440 8.496 -1.228 1.00 0.00 H new ATOM 0 HG LEU p 15 -2.246 7.286 -2.773 1.00 0.00 H new ATOM 0 HD11 LEU p 15 -0.487 7.113 -4.504 1.00 0.00 H new ATOM 0 HD12 LEU p 15 -0.317 8.599 -3.539 1.00 0.00 H new ATOM 0 HD13 LEU p 15 0.759 7.214 -3.237 1.00 0.00 H new ATOM 0 HD21 LEU p 15 -1.454 5.084 -3.510 1.00 0.00 H new ATOM 0 HD22 LEU p 15 -0.232 5.093 -2.216 1.00 0.00 H new ATOM 0 HD23 LEU p 15 -1.964 5.070 -1.805 1.00 0.00 H new ATOM 251 N GLN p 16 2.264 7.422 -0.212 1.00 0.00 N ATOM 252 CA GLN p 16 3.704 7.484 -0.524 1.00 0.00 C ATOM 253 C GLN p 16 4.387 6.593 0.465 1.00 0.00 C ATOM 254 O GLN p 16 5.462 6.062 0.224 1.00 0.00 O ATOM 255 CB GLN p 16 4.285 8.888 -0.384 1.00 0.00 C ATOM 256 CG GLN p 16 3.613 9.892 -1.274 1.00 0.00 C ATOM 257 CD GLN p 16 4.578 10.630 -2.181 1.00 0.00 C ATOM 258 OE1 GLN p 16 5.112 11.679 -1.819 1.00 0.00 O ATOM 259 NE2 GLN p 16 4.807 10.085 -3.371 1.00 0.00 N ATOM 0 H GLN p 16 1.976 8.121 0.473 1.00 0.00 H new ATOM 0 HA GLN p 16 3.854 7.180 -1.560 1.00 0.00 H new ATOM 0 HB2 GLN p 16 4.194 9.211 0.653 1.00 0.00 H new ATOM 0 HB3 GLN p 16 5.350 8.860 -0.616 1.00 0.00 H new ATOM 0 HG2 GLN p 16 2.867 9.384 -1.885 1.00 0.00 H new ATOM 0 HG3 GLN p 16 3.080 10.615 -0.657 1.00 0.00 H new ATOM 0 HE21 GLN p 16 4.343 9.214 -3.631 1.00 0.00 H new ATOM 0 HE22 GLN p 16 5.446 10.537 -4.025 1.00 0.00 H new ATOM 268 N ALA p 17 3.721 6.522 1.615 1.00 0.00 N ATOM 269 CA ALA p 17 4.110 5.653 2.736 1.00 0.00 C ATOM 270 C ALA p 17 3.503 4.285 2.496 1.00 0.00 C ATOM 271 O ALA p 17 3.920 3.295 3.089 1.00 0.00 O ATOM 272 CB ALA p 17 3.679 6.195 4.092 1.00 0.00 C ATOM 0 H ALA p 17 2.883 7.072 1.803 1.00 0.00 H new ATOM 0 HA ALA p 17 5.198 5.602 2.770 1.00 0.00 H new ATOM 0 HB1 ALA p 17 3.996 5.508 4.876 1.00 0.00 H new ATOM 0 HB2 ALA p 17 4.138 7.170 4.257 1.00 0.00 H new ATOM 0 HB3 ALA p 17 2.594 6.296 4.115 1.00 0.00 H new ATOM 278 N LEU p 18 2.476 4.286 1.626 1.00 0.00 N ATOM 279 CA LEU p 18 1.798 3.091 1.156 1.00 0.00 C ATOM 280 C LEU p 18 2.614 2.597 -0.016 1.00 0.00 C ATOM 281 O LEU p 18 2.704 1.408 -0.289 1.00 0.00 O ATOM 282 CB LEU p 18 0.400 3.447 0.676 1.00 0.00 C ATOM 283 CG LEU p 18 -0.689 2.374 0.696 1.00 0.00 C ATOM 284 CD1 LEU p 18 -1.806 2.873 -0.178 1.00 0.00 C ATOM 285 CD2 LEU p 18 -0.202 1.020 0.198 1.00 0.00 C ATOM 0 H LEU p 18 2.095 5.145 1.228 1.00 0.00 H new ATOM 0 HA LEU p 18 1.708 2.342 1.943 1.00 0.00 H new ATOM 0 HB2 LEU p 18 0.048 4.283 1.280 1.00 0.00 H new ATOM 0 HB3 LEU p 18 0.487 3.808 -0.349 1.00 0.00 H new ATOM 0 HG LEU p 18 -1.012 2.213 1.725 1.00 0.00 H new ATOM 0 HD11 LEU p 18 -2.611 2.138 -0.195 1.00 0.00 H new ATOM 0 HD12 LEU p 18 -2.184 3.816 0.218 1.00 0.00 H new ATOM 0 HD13 LEU p 18 -1.434 3.028 -1.191 1.00 0.00 H new ATOM 0 HD21 LEU p 18 -1.021 0.302 0.237 1.00 0.00 H new ATOM 0 HD22 LEU p 18 0.149 1.115 -0.830 1.00 0.00 H new ATOM 0 HD23 LEU p 18 0.615 0.672 0.830 1.00 0.00 H new ATOM 297 N GLU p 19 3.165 3.598 -0.714 1.00 0.00 N ATOM 298 CA GLU p 19 4.055 3.443 -1.824 1.00 0.00 C ATOM 299 C GLU p 19 5.399 2.995 -1.285 1.00 0.00 C ATOM 300 O GLU p 19 6.109 2.220 -1.901 1.00 0.00 O ATOM 301 CB GLU p 19 4.183 4.800 -2.461 1.00 0.00 C ATOM 302 CG GLU p 19 4.893 4.792 -3.762 1.00 0.00 C ATOM 303 CD GLU p 19 3.997 5.108 -4.943 1.00 0.00 C ATOM 304 OE1 GLU p 19 3.862 6.302 -5.283 1.00 0.00 O ATOM 305 OE2 GLU p 19 3.429 4.163 -5.529 1.00 0.00 O ATOM 0 H GLU p 19 2.980 4.577 -0.493 1.00 0.00 H new ATOM 0 HA GLU p 19 3.697 2.712 -2.548 1.00 0.00 H new ATOM 0 HB2 GLU p 19 3.187 5.217 -2.605 1.00 0.00 H new ATOM 0 HB3 GLU p 19 4.710 5.463 -1.775 1.00 0.00 H new ATOM 0 HG2 GLU p 19 5.705 5.518 -3.728 1.00 0.00 H new ATOM 0 HG3 GLU p 19 5.347 3.813 -3.913 1.00 0.00 H new ATOM 312 N LYS p 20 5.722 3.600 -0.144 1.00 0.00 N ATOM 313 CA LYS p 20 6.921 3.303 0.641 1.00 0.00 C ATOM 314 C LYS p 20 6.698 2.012 1.413 1.00 0.00 C ATOM 315 O LYS p 20 7.640 1.403 1.916 1.00 0.00 O ATOM 316 CB LYS p 20 7.231 4.444 1.602 1.00 0.00 C ATOM 317 CG LYS p 20 8.658 4.953 1.523 1.00 0.00 C ATOM 318 CD LYS p 20 9.441 4.621 2.783 1.00 0.00 C ATOM 319 CE LYS p 20 10.854 5.177 2.725 1.00 0.00 C ATOM 320 NZ LYS p 20 11.610 4.903 3.978 1.00 0.00 N ATOM 0 H LYS p 20 5.143 4.329 0.272 1.00 0.00 H new ATOM 0 HA LYS p 20 7.772 3.188 -0.031 1.00 0.00 H new ATOM 0 HB2 LYS p 20 6.550 5.271 1.398 1.00 0.00 H new ATOM 0 HB3 LYS p 20 7.032 4.111 2.620 1.00 0.00 H new ATOM 0 HG2 LYS p 20 9.155 4.512 0.659 1.00 0.00 H new ATOM 0 HG3 LYS p 20 8.652 6.032 1.371 1.00 0.00 H new ATOM 0 HD2 LYS p 20 8.924 5.029 3.652 1.00 0.00 H new ATOM 0 HD3 LYS p 20 9.480 3.540 2.914 1.00 0.00 H new ATOM 0 HE2 LYS p 20 11.382 4.738 1.879 1.00 0.00 H new ATOM 0 HE3 LYS p 20 10.814 6.253 2.553 1.00 0.00 H new ATOM 0 HZ1 LYS p 20 12.622 5.080 3.818 1.00 0.00 H new ATOM 0 HZ2 LYS p 20 11.265 5.527 4.735 1.00 0.00 H new ATOM 0 HZ3 LYS p 20 11.471 3.911 4.257 1.00 0.00 H new ATOM 334 N GLU p 21 5.412 1.641 1.508 1.00 0.00 N ATOM 335 CA GLU p 21 4.965 0.401 2.111 1.00 0.00 C ATOM 336 C GLU p 21 4.976 -0.602 0.975 1.00 0.00 C ATOM 337 O GLU p 21 5.202 -1.802 1.156 1.00 0.00 O ATOM 338 CB GLU p 21 3.569 0.578 2.721 1.00 0.00 C ATOM 339 CG GLU p 21 2.677 -0.651 2.690 1.00 0.00 C ATOM 340 CD GLU p 21 2.416 -1.226 4.068 1.00 0.00 C ATOM 341 OE1 GLU p 21 1.428 -0.807 4.709 1.00 0.00 O ATOM 342 OE2 GLU p 21 3.199 -2.094 4.507 1.00 0.00 O ATOM 0 H GLU p 21 4.646 2.216 1.156 1.00 0.00 H new ATOM 0 HA GLU p 21 5.601 0.070 2.932 1.00 0.00 H new ATOM 0 HB2 GLU p 21 3.683 0.896 3.757 1.00 0.00 H new ATOM 0 HB3 GLU p 21 3.062 1.386 2.194 1.00 0.00 H new ATOM 0 HG2 GLU p 21 1.726 -0.392 2.224 1.00 0.00 H new ATOM 0 HG3 GLU p 21 3.141 -1.414 2.065 1.00 0.00 H new ATOM 349 N LEU p 22 4.713 -0.037 -0.212 1.00 0.00 N ATOM 350 CA LEU p 22 4.764 -0.753 -1.468 1.00 0.00 C ATOM 351 C LEU p 22 6.234 -0.922 -1.811 1.00 0.00 C ATOM 352 O LEU p 22 6.676 -1.978 -2.268 1.00 0.00 O ATOM 353 CB LEU p 22 4.060 0.082 -2.540 1.00 0.00 C ATOM 354 CG LEU p 22 3.560 -0.621 -3.801 1.00 0.00 C ATOM 355 CD1 LEU p 22 2.883 0.414 -4.663 1.00 0.00 C ATOM 356 CD2 LEU p 22 4.697 -1.275 -4.571 1.00 0.00 C ATOM 0 H LEU p 22 4.456 0.945 -0.314 1.00 0.00 H new ATOM 0 HA LEU p 22 4.271 -1.723 -1.407 1.00 0.00 H new ATOM 0 HB2 LEU p 22 3.205 0.570 -2.072 1.00 0.00 H new ATOM 0 HB3 LEU p 22 4.746 0.870 -2.850 1.00 0.00 H new ATOM 0 HG LEU p 22 2.867 -1.415 -3.521 1.00 0.00 H new ATOM 0 HD11 LEU p 22 2.513 -0.057 -5.574 1.00 0.00 H new ATOM 0 HD12 LEU p 22 2.048 0.853 -4.117 1.00 0.00 H new ATOM 0 HD13 LEU p 22 3.597 1.195 -4.922 1.00 0.00 H new ATOM 0 HD21 LEU p 22 4.300 -1.764 -5.461 1.00 0.00 H new ATOM 0 HD22 LEU p 22 5.420 -0.515 -4.867 1.00 0.00 H new ATOM 0 HD23 LEU p 22 5.187 -2.015 -3.938 1.00 0.00 H new ATOM 368 N ALA p 23 6.967 0.168 -1.555 1.00 0.00 N ATOM 369 CA ALA p 23 8.420 0.224 -1.758 1.00 0.00 C ATOM 370 C ALA p 23 9.142 -0.507 -0.631 1.00 0.00 C ATOM 371 O ALA p 23 10.328 -0.783 -0.734 1.00 0.00 O ATOM 372 CB ALA p 23 8.920 1.660 -1.861 1.00 0.00 C ATOM 0 H ALA p 23 6.569 1.038 -1.201 1.00 0.00 H new ATOM 0 HA ALA p 23 8.640 -0.272 -2.703 1.00 0.00 H new ATOM 0 HB1 ALA p 23 10.000 1.659 -2.011 1.00 0.00 H new ATOM 0 HB2 ALA p 23 8.437 2.154 -2.704 1.00 0.00 H new ATOM 0 HB3 ALA p 23 8.682 2.195 -0.942 1.00 0.00 H new ATOM 378 N GLN p 24 8.385 -0.815 0.438 1.00 0.00 N ATOM 379 CA GLN p 24 8.859 -1.530 1.609 1.00 0.00 C ATOM 380 C GLN p 24 9.050 -3.010 1.281 1.00 0.00 C ATOM 381 O GLN p 24 9.884 -3.673 1.865 1.00 0.00 O ATOM 382 CB GLN p 24 7.814 -1.351 2.708 1.00 0.00 C ATOM 383 CG GLN p 24 7.876 -2.368 3.818 1.00 0.00 C ATOM 384 CD GLN p 24 8.169 -1.757 5.174 1.00 0.00 C ATOM 385 OE1 GLN p 24 7.255 -1.379 5.907 1.00 0.00 O ATOM 386 NE2 GLN p 24 9.448 -1.656 5.515 1.00 0.00 N ATOM 0 H GLN p 24 7.399 -0.560 0.500 1.00 0.00 H new ATOM 0 HA GLN p 24 9.822 -1.140 1.937 1.00 0.00 H new ATOM 0 HB2 GLN p 24 7.929 -0.357 3.140 1.00 0.00 H new ATOM 0 HB3 GLN p 24 6.823 -1.389 2.256 1.00 0.00 H new ATOM 0 HG2 GLN p 24 6.927 -2.903 3.865 1.00 0.00 H new ATOM 0 HG3 GLN p 24 8.645 -3.104 3.585 1.00 0.00 H new ATOM 0 HE21 GLN p 24 10.173 -1.982 4.876 1.00 0.00 H new ATOM 0 HE22 GLN p 24 9.705 -1.252 6.416 1.00 0.00 H new ATOM 395 N LEU p 25 8.245 -3.466 0.327 1.00 0.00 N ATOM 396 CA LEU p 25 8.221 -4.842 -0.179 1.00 0.00 C ATOM 397 C LEU p 25 9.322 -5.019 -1.193 1.00 0.00 C ATOM 398 O LEU p 25 9.846 -6.106 -1.400 1.00 0.00 O ATOM 399 CB LEU p 25 6.877 -5.093 -0.855 1.00 0.00 C ATOM 400 CG LEU p 25 5.671 -5.454 0.042 1.00 0.00 C ATOM 401 CD1 LEU p 25 6.017 -5.452 1.530 1.00 0.00 C ATOM 402 CD2 LEU p 25 4.545 -4.475 -0.228 1.00 0.00 C ATOM 0 H LEU p 25 7.562 -2.866 -0.136 1.00 0.00 H new ATOM 0 HA LEU p 25 8.364 -5.543 0.644 1.00 0.00 H new ATOM 0 HB2 LEU p 25 6.616 -4.199 -1.422 1.00 0.00 H new ATOM 0 HB3 LEU p 25 7.011 -5.900 -1.576 1.00 0.00 H new ATOM 0 HG LEU p 25 5.366 -6.470 -0.207 1.00 0.00 H new ATOM 0 HD11 LEU p 25 5.132 -5.712 2.110 1.00 0.00 H new ATOM 0 HD12 LEU p 25 6.804 -6.182 1.722 1.00 0.00 H new ATOM 0 HD13 LEU p 25 6.363 -4.460 1.822 1.00 0.00 H new ATOM 0 HD21 LEU p 25 3.690 -4.722 0.401 1.00 0.00 H new ATOM 0 HD22 LEU p 25 4.881 -3.463 -0.002 1.00 0.00 H new ATOM 0 HD23 LEU p 25 4.254 -4.535 -1.277 1.00 0.00 H new ATOM 414 N GLU p 26 9.598 -3.893 -1.821 1.00 0.00 N ATOM 415 CA GLU p 26 10.633 -3.701 -2.809 1.00 0.00 C ATOM 416 C GLU p 26 11.899 -3.397 -2.052 1.00 0.00 C ATOM 417 O GLU p 26 12.995 -3.492 -2.574 1.00 0.00 O ATOM 418 CB GLU p 26 10.268 -2.543 -3.721 1.00 0.00 C ATOM 419 CG GLU p 26 8.845 -2.625 -4.230 1.00 0.00 C ATOM 420 CD GLU p 26 8.736 -2.425 -5.728 1.00 0.00 C ATOM 421 OE1 GLU p 26 8.580 -1.265 -6.164 1.00 0.00 O ATOM 422 OE2 GLU p 26 8.806 -3.430 -6.468 1.00 0.00 O ATOM 0 H GLU p 26 9.072 -3.038 -1.642 1.00 0.00 H new ATOM 0 HA GLU p 26 10.757 -4.586 -3.433 1.00 0.00 H new ATOM 0 HB2 GLU p 26 10.403 -1.605 -3.182 1.00 0.00 H new ATOM 0 HB3 GLU p 26 10.952 -2.525 -4.569 1.00 0.00 H new ATOM 0 HG2 GLU p 26 8.427 -3.597 -3.968 1.00 0.00 H new ATOM 0 HG3 GLU p 26 8.241 -1.872 -3.724 1.00 0.00 H new ATOM 429 N LYS p 27 11.671 -2.950 -0.817 1.00 0.00 N ATOM 430 CA LYS p 27 12.736 -2.696 0.158 1.00 0.00 C ATOM 431 C LYS p 27 12.994 -3.985 0.911 1.00 0.00 C ATOM 432 O LYS p 27 14.107 -4.249 1.354 1.00 0.00 O ATOM 433 CB LYS p 27 12.397 -1.573 1.134 1.00 0.00 C ATOM 434 CG LYS p 27 12.844 -0.199 0.663 1.00 0.00 C ATOM 435 CD LYS p 27 12.847 0.809 1.801 1.00 0.00 C ATOM 436 CE LYS p 27 13.330 2.173 1.336 1.00 0.00 C ATOM 437 NZ LYS p 27 13.370 3.158 2.453 1.00 0.00 N ATOM 0 H LYS p 27 10.736 -2.752 -0.461 1.00 0.00 H new ATOM 0 HA LYS p 27 13.625 -2.367 -0.381 1.00 0.00 H new ATOM 0 HB2 LYS p 27 11.319 -1.559 1.297 1.00 0.00 H new ATOM 0 HB3 LYS p 27 12.863 -1.787 2.096 1.00 0.00 H new ATOM 0 HG2 LYS p 27 13.844 -0.268 0.235 1.00 0.00 H new ATOM 0 HG3 LYS p 27 12.181 0.148 -0.130 1.00 0.00 H new ATOM 0 HD2 LYS p 27 11.841 0.899 2.212 1.00 0.00 H new ATOM 0 HD3 LYS p 27 13.489 0.449 2.605 1.00 0.00 H new ATOM 0 HE2 LYS p 27 14.325 2.077 0.901 1.00 0.00 H new ATOM 0 HE3 LYS p 27 12.672 2.542 0.549 1.00 0.00 H new ATOM 0 HZ1 LYS p 27 13.115 4.100 2.094 1.00 0.00 H new ATOM 0 HZ2 LYS p 27 12.694 2.874 3.191 1.00 0.00 H new ATOM 0 HZ3 LYS p 27 14.329 3.188 2.855 1.00 0.00 H new ATOM 451 N GLU p 28 11.930 -4.786 1.062 1.00 0.00 N ATOM 452 CA GLU p 28 12.070 -6.124 1.671 1.00 0.00 C ATOM 453 C GLU p 28 12.706 -6.983 0.617 1.00 0.00 C ATOM 454 O GLU p 28 13.456 -7.925 0.888 1.00 0.00 O ATOM 455 CB GLU p 28 10.740 -6.758 2.078 1.00 0.00 C ATOM 456 CG GLU p 28 9.949 -5.922 3.042 1.00 0.00 C ATOM 457 CD GLU p 28 9.671 -6.626 4.355 1.00 0.00 C ATOM 458 OE1 GLU p 28 10.499 -6.505 5.281 1.00 0.00 O ATOM 459 OE2 GLU p 28 8.622 -7.298 4.457 1.00 0.00 O ATOM 0 H GLU p 28 10.981 -4.542 0.779 1.00 0.00 H new ATOM 0 HA GLU p 28 12.654 -6.037 2.587 1.00 0.00 H new ATOM 0 HB2 GLU p 28 10.141 -6.933 1.184 1.00 0.00 H new ATOM 0 HB3 GLU p 28 10.933 -7.732 2.527 1.00 0.00 H new ATOM 0 HG2 GLU p 28 10.491 -4.997 3.241 1.00 0.00 H new ATOM 0 HG3 GLU p 28 9.002 -5.643 2.579 1.00 0.00 H new ATOM 466 N LEU p 29 12.358 -6.599 -0.608 1.00 0.00 N ATOM 467 CA LEU p 29 12.869 -7.222 -1.813 1.00 0.00 C ATOM 468 C LEU p 29 14.287 -6.753 -2.130 1.00 0.00 C ATOM 469 O LEU p 29 15.176 -7.570 -2.384 1.00 0.00 O ATOM 470 CB LEU p 29 11.958 -6.861 -2.981 1.00 0.00 C ATOM 471 CG LEU p 29 11.747 -7.908 -4.068 1.00 0.00 C ATOM 472 CD1 LEU p 29 10.787 -7.338 -5.086 1.00 0.00 C ATOM 473 CD2 LEU p 29 13.059 -8.285 -4.732 1.00 0.00 C ATOM 0 H LEU p 29 11.705 -5.837 -0.788 1.00 0.00 H new ATOM 0 HA LEU p 29 12.893 -8.300 -1.655 1.00 0.00 H new ATOM 0 HB2 LEU p 29 10.981 -6.598 -2.575 1.00 0.00 H new ATOM 0 HB3 LEU p 29 12.359 -5.964 -3.453 1.00 0.00 H new ATOM 0 HG LEU p 29 11.338 -8.816 -3.625 1.00 0.00 H new ATOM 0 HD11 LEU p 29 10.619 -8.069 -5.877 1.00 0.00 H new ATOM 0 HD12 LEU p 29 9.839 -7.103 -4.601 1.00 0.00 H new ATOM 0 HD13 LEU p 29 11.209 -6.430 -5.516 1.00 0.00 H new ATOM 0 HD21 LEU p 29 12.875 -9.034 -5.503 1.00 0.00 H new ATOM 0 HD22 LEU p 29 13.505 -7.400 -5.185 1.00 0.00 H new ATOM 0 HD23 LEU p 29 13.741 -8.693 -3.986 1.00 0.00 H new ATOM 791 N GLN p 51 3.157 -16.226 -2.960 1.00 0.00 N ATOM 792 CA GLN p 51 2.170 -15.460 -3.735 1.00 0.00 C ATOM 793 C GLN p 51 1.407 -14.442 -2.879 1.00 0.00 C ATOM 794 O GLN p 51 0.845 -13.488 -3.416 1.00 0.00 O ATOM 795 CB GLN p 51 1.174 -16.407 -4.410 1.00 0.00 C ATOM 796 CG GLN p 51 1.753 -17.167 -5.596 1.00 0.00 C ATOM 797 CD GLN p 51 0.742 -18.088 -6.248 1.00 0.00 C ATOM 798 OE1 GLN p 51 0.616 -19.255 -5.874 1.00 0.00 O ATOM 799 NE2 GLN p 51 0.014 -17.569 -7.230 1.00 0.00 N ATOM 0 HA GLN p 51 2.727 -14.904 -4.489 1.00 0.00 H new ATOM 0 HB2 GLN p 51 0.812 -17.124 -3.673 1.00 0.00 H new ATOM 0 HB3 GLN p 51 0.311 -15.832 -4.746 1.00 0.00 H new ATOM 0 HG2 GLN p 51 2.120 -16.455 -6.335 1.00 0.00 H new ATOM 0 HG3 GLN p 51 2.611 -17.752 -5.264 1.00 0.00 H new ATOM 0 HE21 GLN p 51 0.151 -16.597 -7.508 1.00 0.00 H new ATOM 0 HE22 GLN p 51 -0.682 -18.142 -7.706 1.00 0.00 H new ATOM 808 N ALA p 52 1.416 -14.635 -1.549 1.00 0.00 N ATOM 809 CA ALA p 52 0.703 -13.758 -0.590 1.00 0.00 C ATOM 810 C ALA p 52 1.099 -12.266 -0.675 1.00 0.00 C ATOM 811 O ALA p 52 0.501 -11.430 -0.003 1.00 0.00 O ATOM 812 CB ALA p 52 0.917 -14.278 0.826 1.00 0.00 C ATOM 0 H ALA p 52 1.917 -15.403 -1.103 1.00 0.00 H new ATOM 0 HA ALA p 52 -0.351 -13.797 -0.863 1.00 0.00 H new ATOM 0 HB1 ALA p 52 0.393 -13.634 1.533 1.00 0.00 H new ATOM 0 HB2 ALA p 52 0.529 -15.293 0.903 1.00 0.00 H new ATOM 0 HB3 ALA p 52 1.982 -14.279 1.056 1.00 0.00 H new ATOM 818 N LEU p 53 2.119 -11.957 -1.475 1.00 0.00 N ATOM 819 CA LEU p 53 2.614 -10.601 -1.663 1.00 0.00 C ATOM 820 C LEU p 53 1.990 -9.996 -2.900 1.00 0.00 C ATOM 821 O LEU p 53 1.141 -9.119 -2.824 1.00 0.00 O ATOM 822 CB LEU p 53 4.149 -10.579 -1.793 1.00 0.00 C ATOM 823 CG LEU p 53 4.840 -11.864 -2.276 1.00 0.00 C ATOM 824 CD1 LEU p 53 6.134 -11.515 -2.993 1.00 0.00 C ATOM 825 CD2 LEU p 53 5.125 -12.797 -1.105 1.00 0.00 C ATOM 0 H LEU p 53 2.629 -12.654 -2.017 1.00 0.00 H new ATOM 0 HA LEU p 53 2.338 -10.015 -0.786 1.00 0.00 H new ATOM 0 HB2 LEU p 53 4.417 -9.775 -2.479 1.00 0.00 H new ATOM 0 HB3 LEU p 53 4.565 -10.319 -0.820 1.00 0.00 H new ATOM 0 HG LEU p 53 4.173 -12.378 -2.968 1.00 0.00 H new ATOM 0 HD11 LEU p 53 6.620 -12.430 -3.333 1.00 0.00 H new ATOM 0 HD12 LEU p 53 5.915 -10.880 -3.851 1.00 0.00 H new ATOM 0 HD13 LEU p 53 6.797 -10.985 -2.309 1.00 0.00 H new ATOM 0 HD21 LEU p 53 5.614 -13.700 -1.470 1.00 0.00 H new ATOM 0 HD22 LEU p 53 5.777 -12.295 -0.390 1.00 0.00 H new ATOM 0 HD23 LEU p 53 4.188 -13.064 -0.616 1.00 0.00 H new ATOM 837 N LYS p 54 2.410 -10.546 -4.035 1.00 0.00 N ATOM 838 CA LYS p 54 1.936 -10.142 -5.381 1.00 0.00 C ATOM 839 C LYS p 54 0.410 -10.257 -5.510 1.00 0.00 C ATOM 840 O LYS p 54 -0.183 -9.738 -6.453 1.00 0.00 O ATOM 841 CB LYS p 54 2.609 -10.997 -6.460 1.00 0.00 C ATOM 842 CG LYS p 54 4.061 -10.626 -6.719 1.00 0.00 C ATOM 843 CD LYS p 54 4.679 -11.505 -7.793 1.00 0.00 C ATOM 844 CE LYS p 54 6.129 -11.132 -8.053 1.00 0.00 C ATOM 845 NZ LYS p 54 6.742 -11.981 -9.112 1.00 0.00 N ATOM 0 H LYS p 54 3.099 -11.297 -4.060 1.00 0.00 H new ATOM 0 HA LYS p 54 2.208 -9.095 -5.519 1.00 0.00 H new ATOM 0 HB2 LYS p 54 2.559 -12.045 -6.164 1.00 0.00 H new ATOM 0 HB3 LYS p 54 2.048 -10.901 -7.389 1.00 0.00 H new ATOM 0 HG2 LYS p 54 4.122 -9.581 -7.024 1.00 0.00 H new ATOM 0 HG3 LYS p 54 4.632 -10.722 -5.796 1.00 0.00 H new ATOM 0 HD2 LYS p 54 4.620 -12.550 -7.488 1.00 0.00 H new ATOM 0 HD3 LYS p 54 4.107 -11.410 -8.716 1.00 0.00 H new ATOM 0 HE2 LYS p 54 6.186 -10.085 -8.350 1.00 0.00 H new ATOM 0 HE3 LYS p 54 6.701 -11.234 -7.131 1.00 0.00 H new ATOM 0 HZ1 LYS p 54 7.731 -11.694 -9.258 1.00 0.00 H new ATOM 0 HZ2 LYS p 54 6.711 -12.978 -8.819 1.00 0.00 H new ATOM 0 HZ3 LYS p 54 6.213 -11.865 -10.000 1.00 0.00 H new ATOM 859 N LYS p 55 -0.185 -10.958 -4.546 1.00 0.00 N ATOM 860 CA LYS p 55 -1.609 -11.179 -4.446 1.00 0.00 C ATOM 861 C LYS p 55 -2.211 -10.154 -3.508 1.00 0.00 C ATOM 862 O LYS p 55 -3.275 -9.604 -3.781 1.00 0.00 O ATOM 863 CB LYS p 55 -1.888 -12.593 -3.953 1.00 0.00 C ATOM 864 CG LYS p 55 -1.914 -13.629 -5.062 1.00 0.00 C ATOM 865 CD LYS p 55 -2.467 -14.959 -4.575 1.00 0.00 C ATOM 866 CE LYS p 55 -2.545 -15.975 -5.702 1.00 0.00 C ATOM 867 NZ LYS p 55 -3.060 -17.290 -5.230 1.00 0.00 N ATOM 0 H LYS p 55 0.339 -11.400 -3.790 1.00 0.00 H new ATOM 0 HA LYS p 55 -2.065 -11.068 -5.430 1.00 0.00 H new ATOM 0 HB2 LYS p 55 -1.127 -12.872 -3.225 1.00 0.00 H new ATOM 0 HB3 LYS p 55 -2.846 -12.605 -3.433 1.00 0.00 H new ATOM 0 HG2 LYS p 55 -2.523 -13.262 -5.889 1.00 0.00 H new ATOM 0 HG3 LYS p 55 -0.905 -13.774 -5.449 1.00 0.00 H new ATOM 0 HD2 LYS p 55 -1.834 -15.347 -3.777 1.00 0.00 H new ATOM 0 HD3 LYS p 55 -3.459 -14.808 -4.150 1.00 0.00 H new ATOM 0 HE2 LYS p 55 -3.193 -15.593 -6.491 1.00 0.00 H new ATOM 0 HE3 LYS p 55 -1.556 -16.108 -6.139 1.00 0.00 H new ATOM 0 HZ1 LYS p 55 -3.098 -17.955 -6.029 1.00 0.00 H new ATOM 0 HZ2 LYS p 55 -2.428 -17.667 -4.495 1.00 0.00 H new ATOM 0 HZ3 LYS p 55 -4.015 -17.168 -4.836 1.00 0.00 H new ATOM 881 N LYS p 56 -1.500 -9.906 -2.393 1.00 0.00 N ATOM 882 CA LYS p 56 -1.927 -8.896 -1.396 1.00 0.00 C ATOM 883 C LYS p 56 -1.617 -7.484 -1.908 1.00 0.00 C ATOM 884 O LYS p 56 -2.072 -6.481 -1.358 1.00 0.00 O ATOM 885 CB LYS p 56 -1.251 -9.120 -0.048 1.00 0.00 C ATOM 886 CG LYS p 56 -2.011 -10.079 0.855 1.00 0.00 C ATOM 887 CD LYS p 56 -1.427 -10.106 2.257 1.00 0.00 C ATOM 888 CE LYS p 56 -2.230 -11.010 3.177 1.00 0.00 C ATOM 889 NZ LYS p 56 -1.720 -10.975 4.575 1.00 0.00 N ATOM 0 H LYS p 56 -0.631 -10.386 -2.157 1.00 0.00 H new ATOM 0 HA LYS p 56 -3.003 -9.002 -1.255 1.00 0.00 H new ATOM 0 HB2 LYS p 56 -0.246 -9.508 -0.214 1.00 0.00 H new ATOM 0 HB3 LYS p 56 -1.143 -8.162 0.460 1.00 0.00 H new ATOM 0 HG2 LYS p 56 -3.059 -9.783 0.902 1.00 0.00 H new ATOM 0 HG3 LYS p 56 -1.982 -11.082 0.429 1.00 0.00 H new ATOM 0 HD2 LYS p 56 -0.394 -10.452 2.216 1.00 0.00 H new ATOM 0 HD3 LYS p 56 -1.408 -9.095 2.664 1.00 0.00 H new ATOM 0 HE2 LYS p 56 -3.276 -10.703 3.165 1.00 0.00 H new ATOM 0 HE3 LYS p 56 -2.193 -12.033 2.803 1.00 0.00 H new ATOM 0 HZ1 LYS p 56 -2.295 -11.605 5.170 1.00 0.00 H new ATOM 0 HZ2 LYS p 56 -0.730 -11.292 4.591 1.00 0.00 H new ATOM 0 HZ3 LYS p 56 -1.779 -10.004 4.942 1.00 0.00 H new ATOM 903 N LEU p 57 -0.820 -7.470 -2.975 1.00 0.00 N ATOM 904 CA LEU p 57 -0.382 -6.290 -3.698 1.00 0.00 C ATOM 905 C LEU p 57 -1.358 -6.075 -4.815 1.00 0.00 C ATOM 906 O LEU p 57 -1.780 -4.958 -5.095 1.00 0.00 O ATOM 907 CB LEU p 57 1.004 -6.527 -4.287 1.00 0.00 C ATOM 908 CG LEU p 57 2.197 -5.926 -3.548 1.00 0.00 C ATOM 909 CD1 LEU p 57 2.347 -6.513 -2.149 1.00 0.00 C ATOM 910 CD2 LEU p 57 3.435 -6.190 -4.374 1.00 0.00 C ATOM 0 H LEU p 57 -0.446 -8.330 -3.375 1.00 0.00 H new ATOM 0 HA LEU p 57 -0.336 -5.426 -3.035 1.00 0.00 H new ATOM 0 HB2 LEU p 57 1.160 -7.604 -4.357 1.00 0.00 H new ATOM 0 HB3 LEU p 57 1.008 -6.137 -5.305 1.00 0.00 H new ATOM 0 HG LEU p 57 2.044 -4.854 -3.421 1.00 0.00 H new ATOM 0 HD11 LEU p 57 3.207 -6.060 -1.655 1.00 0.00 H new ATOM 0 HD12 LEU p 57 1.446 -6.308 -1.570 1.00 0.00 H new ATOM 0 HD13 LEU p 57 2.495 -7.590 -2.221 1.00 0.00 H new ATOM 0 HD21 LEU p 57 4.305 -5.771 -3.869 1.00 0.00 H new ATOM 0 HD22 LEU p 57 3.569 -7.265 -4.496 1.00 0.00 H new ATOM 0 HD23 LEU p 57 3.325 -5.725 -5.354 1.00 0.00 H new ATOM 922 N ALA p 58 -1.681 -7.200 -5.467 1.00 0.00 N ATOM 923 CA ALA p 58 -2.690 -7.219 -6.548 1.00 0.00 C ATOM 924 C ALA p 58 -4.085 -6.962 -5.967 1.00 0.00 C ATOM 925 O ALA p 58 -5.029 -6.637 -6.691 1.00 0.00 O ATOM 926 CB ALA p 58 -2.670 -8.537 -7.307 1.00 0.00 C ATOM 0 H ALA p 58 -1.263 -8.109 -5.269 1.00 0.00 H new ATOM 0 HA ALA p 58 -2.442 -6.426 -7.254 1.00 0.00 H new ATOM 0 HB1 ALA p 58 -3.424 -8.515 -8.094 1.00 0.00 H new ATOM 0 HB2 ALA p 58 -1.686 -8.686 -7.752 1.00 0.00 H new ATOM 0 HB3 ALA p 58 -2.885 -9.356 -6.620 1.00 0.00 H new ATOM 932 N GLN p 59 -4.174 -7.123 -4.641 1.00 0.00 N ATOM 933 CA GLN p 59 -5.366 -6.883 -3.867 1.00 0.00 C ATOM 934 C GLN p 59 -5.288 -5.459 -3.318 1.00 0.00 C ATOM 935 O GLN p 59 -6.299 -4.835 -3.038 1.00 0.00 O ATOM 936 CB GLN p 59 -5.416 -7.920 -2.744 1.00 0.00 C ATOM 937 CG GLN p 59 -6.282 -7.538 -1.567 1.00 0.00 C ATOM 938 CD GLN p 59 -7.358 -8.561 -1.262 1.00 0.00 C ATOM 939 OE1 GLN p 59 -7.146 -9.490 -0.484 1.00 0.00 O ATOM 940 NE2 GLN p 59 -8.523 -8.395 -1.878 1.00 0.00 N ATOM 0 H GLN p 59 -3.386 -7.434 -4.073 1.00 0.00 H new ATOM 0 HA GLN p 59 -6.273 -6.977 -4.464 1.00 0.00 H new ATOM 0 HB2 GLN p 59 -5.780 -8.862 -3.154 1.00 0.00 H new ATOM 0 HB3 GLN p 59 -4.401 -8.098 -2.388 1.00 0.00 H new ATOM 0 HG2 GLN p 59 -5.652 -7.409 -0.687 1.00 0.00 H new ATOM 0 HG3 GLN p 59 -6.751 -6.575 -1.767 1.00 0.00 H new ATOM 0 HE21 GLN p 59 -8.655 -7.610 -2.516 1.00 0.00 H new ATOM 0 HE22 GLN p 59 -9.285 -9.053 -1.713 1.00 0.00 H new ATOM 949 N LEU p 60 -4.041 -5.000 -3.178 1.00 0.00 N ATOM 950 CA LEU p 60 -3.684 -3.659 -2.701 1.00 0.00 C ATOM 951 C LEU p 60 -3.892 -2.655 -3.831 1.00 0.00 C ATOM 952 O LEU p 60 -4.338 -1.541 -3.625 1.00 0.00 O ATOM 953 CB LEU p 60 -2.208 -3.684 -2.295 1.00 0.00 C ATOM 954 CG LEU p 60 -1.696 -2.601 -1.344 1.00 0.00 C ATOM 955 CD1 LEU p 60 -0.256 -2.916 -1.023 1.00 0.00 C ATOM 956 CD2 LEU p 60 -1.793 -1.213 -1.961 1.00 0.00 C ATOM 0 H LEU p 60 -3.225 -5.570 -3.401 1.00 0.00 H new ATOM 0 HA LEU p 60 -4.304 -3.370 -1.852 1.00 0.00 H new ATOM 0 HB2 LEU p 60 -2.007 -4.652 -1.835 1.00 0.00 H new ATOM 0 HB3 LEU p 60 -1.612 -3.634 -3.206 1.00 0.00 H new ATOM 0 HG LEU p 60 -2.311 -2.596 -0.444 1.00 0.00 H new ATOM 0 HD11 LEU p 60 0.139 -2.160 -0.345 1.00 0.00 H new ATOM 0 HD12 LEU p 60 -0.195 -3.896 -0.549 1.00 0.00 H new ATOM 0 HD13 LEU p 60 0.329 -2.920 -1.943 1.00 0.00 H new ATOM 0 HD21 LEU p 60 -1.419 -0.473 -1.253 1.00 0.00 H new ATOM 0 HD22 LEU p 60 -1.196 -1.177 -2.872 1.00 0.00 H new ATOM 0 HD23 LEU p 60 -2.833 -0.993 -2.200 1.00 0.00 H new ATOM 968 N LYS p 61 -3.480 -3.111 -5.005 1.00 0.00 N ATOM 969 CA LYS p 61 -3.586 -2.429 -6.287 1.00 0.00 C ATOM 970 C LYS p 61 -5.045 -2.395 -6.695 1.00 0.00 C ATOM 971 O LYS p 61 -5.505 -1.490 -7.398 1.00 0.00 O ATOM 972 CB LYS p 61 -2.749 -3.184 -7.325 1.00 0.00 C ATOM 973 CG LYS p 61 -1.423 -2.516 -7.639 1.00 0.00 C ATOM 974 CD LYS p 61 -0.750 -3.148 -8.846 1.00 0.00 C ATOM 975 CE LYS p 61 0.582 -2.483 -9.152 1.00 0.00 C ATOM 976 NZ LYS p 61 1.249 -3.093 -10.336 1.00 0.00 N ATOM 0 H LYS p 61 -3.035 -4.024 -5.093 1.00 0.00 H new ATOM 0 HA LYS p 61 -3.212 -1.408 -6.215 1.00 0.00 H new ATOM 0 HB2 LYS p 61 -2.560 -4.194 -6.962 1.00 0.00 H new ATOM 0 HB3 LYS p 61 -3.326 -3.278 -8.245 1.00 0.00 H new ATOM 0 HG2 LYS p 61 -1.585 -1.455 -7.826 1.00 0.00 H new ATOM 0 HG3 LYS p 61 -0.764 -2.590 -6.774 1.00 0.00 H new ATOM 0 HD2 LYS p 61 -0.594 -4.211 -8.662 1.00 0.00 H new ATOM 0 HD3 LYS p 61 -1.406 -3.068 -9.713 1.00 0.00 H new ATOM 0 HE2 LYS p 61 0.424 -1.420 -9.332 1.00 0.00 H new ATOM 0 HE3 LYS p 61 1.237 -2.565 -8.284 1.00 0.00 H new ATOM 0 HZ1 LYS p 61 2.154 -2.611 -10.511 1.00 0.00 H new ATOM 0 HZ2 LYS p 61 1.423 -4.102 -10.155 1.00 0.00 H new ATOM 0 HZ3 LYS p 61 0.636 -2.992 -11.170 1.00 0.00 H new ATOM 990 N TRP p 62 -5.749 -3.426 -6.222 1.00 0.00 N ATOM 991 CA TRP p 62 -7.182 -3.566 -6.403 1.00 0.00 C ATOM 992 C TRP p 62 -7.853 -2.751 -5.315 1.00 0.00 C ATOM 993 O TRP p 62 -8.959 -2.231 -5.491 1.00 0.00 O ATOM 994 CB TRP p 62 -7.605 -5.032 -6.318 1.00 0.00 C ATOM 995 CG TRP p 62 -8.476 -5.467 -7.461 1.00 0.00 C ATOM 996 CD1 TRP p 62 -9.837 -5.580 -7.452 1.00 0.00 C ATOM 997 CD2 TRP p 62 -8.050 -5.847 -8.780 1.00 0.00 C ATOM 998 NE1 TRP p 62 -10.284 -6.007 -8.679 1.00 0.00 N ATOM 999 CE2 TRP p 62 -9.208 -6.176 -9.511 1.00 0.00 C ATOM 1000 CE3 TRP p 62 -6.805 -5.940 -9.417 1.00 0.00 C ATOM 1001 CZ2 TRP p 62 -9.159 -6.590 -10.840 1.00 0.00 C ATOM 1002 CZ3 TRP p 62 -6.759 -6.350 -10.736 1.00 0.00 C ATOM 1003 CH2 TRP p 62 -7.930 -6.671 -11.435 1.00 0.00 C ATOM 0 H TRP p 62 -5.328 -4.192 -5.697 1.00 0.00 H new ATOM 0 HA TRP p 62 -7.477 -3.209 -7.390 1.00 0.00 H new ATOM 0 HB2 TRP p 62 -6.714 -5.659 -6.291 1.00 0.00 H new ATOM 0 HB3 TRP p 62 -8.138 -5.195 -5.382 1.00 0.00 H new ATOM 0 HD1 TRP p 62 -10.470 -5.365 -6.604 1.00 0.00 H new ATOM 0 HE1 TRP p 62 -11.259 -6.172 -8.930 1.00 0.00 H new ATOM 0 HE3 TRP p 62 -5.897 -5.695 -8.886 1.00 0.00 H new ATOM 0 HZ2 TRP p 62 -10.060 -6.838 -11.382 1.00 0.00 H new ATOM 0 HZ3 TRP p 62 -5.805 -6.424 -11.236 1.00 0.00 H new ATOM 0 HH2 TRP p 62 -7.861 -6.989 -12.465 1.00 0.00 H new ATOM 1014 N LYS p 63 -7.142 -2.657 -4.179 1.00 0.00 N ATOM 1015 CA LYS p 63 -7.595 -1.848 -3.042 1.00 0.00 C ATOM 1016 C LYS p 63 -7.182 -0.383 -3.221 1.00 0.00 C ATOM 1017 O LYS p 63 -7.665 0.487 -2.505 1.00 0.00 O ATOM 1018 CB LYS p 63 -7.048 -2.378 -1.720 1.00 0.00 C ATOM 1019 CG LYS p 63 -7.945 -3.412 -1.061 1.00 0.00 C ATOM 1020 CD LYS p 63 -7.505 -3.709 0.363 1.00 0.00 C ATOM 1021 CE LYS p 63 -8.394 -4.756 1.014 1.00 0.00 C ATOM 1022 NZ LYS p 63 -7.965 -5.061 2.406 1.00 0.00 N ATOM 0 H LYS p 63 -6.252 -3.132 -4.027 1.00 0.00 H new ATOM 0 HA LYS p 63 -8.683 -1.914 -3.013 1.00 0.00 H new ATOM 0 HB2 LYS p 63 -6.066 -2.819 -1.893 1.00 0.00 H new ATOM 0 HB3 LYS p 63 -6.906 -1.543 -1.034 1.00 0.00 H new ATOM 0 HG2 LYS p 63 -8.974 -3.052 -1.057 1.00 0.00 H new ATOM 0 HG3 LYS p 63 -7.931 -4.332 -1.646 1.00 0.00 H new ATOM 0 HD2 LYS p 63 -6.472 -4.058 0.361 1.00 0.00 H new ATOM 0 HD3 LYS p 63 -7.530 -2.792 0.952 1.00 0.00 H new ATOM 0 HE2 LYS p 63 -9.425 -4.403 1.021 1.00 0.00 H new ATOM 0 HE3 LYS p 63 -8.374 -5.669 0.420 1.00 0.00 H new ATOM 0 HZ1 LYS p 63 -8.597 -5.779 2.814 1.00 0.00 H new ATOM 0 HZ2 LYS p 63 -6.990 -5.422 2.397 1.00 0.00 H new ATOM 0 HZ3 LYS p 63 -8.008 -4.195 2.980 1.00 0.00 H new ATOM 1036 N LEU p 64 -6.257 -0.148 -4.167 1.00 0.00 N ATOM 1037 CA LEU p 64 -5.746 1.180 -4.508 1.00 0.00 C ATOM 1038 C LEU p 64 -6.658 1.862 -5.519 1.00 0.00 C ATOM 1039 O LEU p 64 -6.681 3.077 -5.651 1.00 0.00 O ATOM 1040 CB LEU p 64 -4.310 1.024 -5.047 1.00 0.00 C ATOM 1041 CG LEU p 64 -3.980 1.675 -6.399 1.00 0.00 C ATOM 1042 CD1 LEU p 64 -3.695 3.143 -6.203 1.00 0.00 C ATOM 1043 CD2 LEU p 64 -2.804 0.986 -7.068 1.00 0.00 C ATOM 0 H LEU p 64 -5.839 -0.894 -4.724 1.00 0.00 H new ATOM 0 HA LEU p 64 -5.727 1.816 -3.623 1.00 0.00 H new ATOM 0 HB2 LEU p 64 -3.626 1.432 -4.303 1.00 0.00 H new ATOM 0 HB3 LEU p 64 -4.096 -0.042 -5.127 1.00 0.00 H new ATOM 0 HG LEU p 64 -4.843 1.565 -7.055 1.00 0.00 H new ATOM 0 HD11 LEU p 64 -3.462 3.600 -7.165 1.00 0.00 H new ATOM 0 HD12 LEU p 64 -4.571 3.629 -5.773 1.00 0.00 H new ATOM 0 HD13 LEU p 64 -2.846 3.262 -5.529 1.00 0.00 H new ATOM 0 HD21 LEU p 64 -2.594 1.469 -8.022 1.00 0.00 H new ATOM 0 HD22 LEU p 64 -1.927 1.057 -6.425 1.00 0.00 H new ATOM 0 HD23 LEU p 64 -3.045 -0.063 -7.238 1.00 0.00 H new ATOM 1055 N GLN p 65 -7.356 1.011 -6.219 1.00 0.00 N ATOM 1056 CA GLN p 65 -8.340 1.329 -7.227 1.00 0.00 C ATOM 1057 C GLN p 65 -9.666 1.439 -6.493 1.00 0.00 C ATOM 1058 O GLN p 65 -10.638 2.009 -6.977 1.00 0.00 O ATOM 1059 CB GLN p 65 -8.336 0.192 -8.260 1.00 0.00 C ATOM 1060 CG GLN p 65 -9.647 -0.010 -8.992 1.00 0.00 C ATOM 1061 CD GLN p 65 -9.481 -0.100 -10.496 1.00 0.00 C ATOM 1062 OE1 GLN p 65 -9.292 -1.184 -11.048 1.00 0.00 O ATOM 1063 NE2 GLN p 65 -9.550 1.043 -11.169 1.00 0.00 N ATOM 0 H GLN p 65 -7.247 0.005 -6.094 1.00 0.00 H new ATOM 0 HA GLN p 65 -8.142 2.259 -7.760 1.00 0.00 H new ATOM 0 HB2 GLN p 65 -7.554 0.390 -8.993 1.00 0.00 H new ATOM 0 HB3 GLN p 65 -8.072 -0.737 -7.755 1.00 0.00 H new ATOM 0 HG2 GLN p 65 -10.122 -0.922 -8.630 1.00 0.00 H new ATOM 0 HG3 GLN p 65 -10.319 0.815 -8.755 1.00 0.00 H new ATOM 0 HE21 GLN p 65 -9.708 1.919 -10.671 1.00 0.00 H new ATOM 0 HE22 GLN p 65 -9.445 1.045 -12.184 1.00 0.00 H new ATOM 1072 N ALA p 66 -9.626 0.844 -5.302 1.00 0.00 N ATOM 1073 CA ALA p 66 -10.719 0.820 -4.344 1.00 0.00 C ATOM 1074 C ALA p 66 -10.503 1.962 -3.374 1.00 0.00 C ATOM 1075 O ALA p 66 -11.443 2.464 -2.766 1.00 0.00 O ATOM 1076 CB ALA p 66 -10.791 -0.509 -3.610 1.00 0.00 C ATOM 0 H ALA p 66 -8.799 0.348 -4.970 1.00 0.00 H new ATOM 0 HA ALA p 66 -11.669 0.936 -4.865 1.00 0.00 H new ATOM 0 HB1 ALA p 66 -11.620 -0.489 -2.902 1.00 0.00 H new ATOM 0 HB2 ALA p 66 -10.946 -1.314 -4.329 1.00 0.00 H new ATOM 0 HB3 ALA p 66 -9.858 -0.678 -3.072 1.00 0.00 H new ATOM 1082 N LEU p 67 -9.215 2.346 -3.252 1.00 0.00 N ATOM 1083 CA LEU p 67 -8.779 3.461 -2.443 1.00 0.00 C ATOM 1084 C LEU p 67 -8.948 4.693 -3.305 1.00 0.00 C ATOM 1085 O LEU p 67 -9.320 5.753 -2.830 1.00 0.00 O ATOM 1086 CB LEU p 67 -7.309 3.276 -1.987 1.00 0.00 C ATOM 1087 CG LEU p 67 -6.262 4.242 -2.588 1.00 0.00 C ATOM 1088 CD1 LEU p 67 -6.332 5.598 -1.920 1.00 0.00 C ATOM 1089 CD2 LEU p 67 -4.864 3.682 -2.487 1.00 0.00 C ATOM 0 H LEU p 67 -8.449 1.869 -3.729 1.00 0.00 H new ATOM 0 HA LEU p 67 -9.365 3.545 -1.528 1.00 0.00 H new ATOM 0 HB2 LEU p 67 -7.276 3.373 -0.902 1.00 0.00 H new ATOM 0 HB3 LEU p 67 -7.006 2.257 -2.225 1.00 0.00 H new ATOM 0 HG LEU p 67 -6.501 4.359 -3.645 1.00 0.00 H new ATOM 0 HD11 LEU p 67 -5.586 6.259 -2.360 1.00 0.00 H new ATOM 0 HD12 LEU p 67 -7.325 6.024 -2.064 1.00 0.00 H new ATOM 0 HD13 LEU p 67 -6.136 5.489 -0.853 1.00 0.00 H new ATOM 0 HD21 LEU p 67 -4.157 4.389 -2.920 1.00 0.00 H new ATOM 0 HD22 LEU p 67 -4.614 3.514 -1.439 1.00 0.00 H new ATOM 0 HD23 LEU p 67 -4.810 2.738 -3.029 1.00 0.00 H new ATOM 1101 N LYS p 68 -8.589 4.506 -4.583 1.00 0.00 N ATOM 1102 CA LYS p 68 -8.749 5.529 -5.619 1.00 0.00 C ATOM 1103 C LYS p 68 -10.223 5.677 -5.924 1.00 0.00 C ATOM 1104 O LYS p 68 -10.665 6.734 -6.364 1.00 0.00 O ATOM 1105 CB LYS p 68 -7.972 5.207 -6.894 1.00 0.00 C ATOM 1106 CG LYS p 68 -6.589 5.830 -6.930 1.00 0.00 C ATOM 1107 CD LYS p 68 -5.926 5.644 -8.285 1.00 0.00 C ATOM 1108 CE LYS p 68 -4.557 6.302 -8.332 1.00 0.00 C ATOM 1109 NZ LYS p 68 -3.894 6.111 -9.651 1.00 0.00 N ATOM 0 H LYS p 68 -8.178 3.637 -4.925 1.00 0.00 H new ATOM 0 HA LYS p 68 -8.338 6.464 -5.240 1.00 0.00 H new ATOM 0 HB2 LYS p 68 -7.878 4.125 -6.990 1.00 0.00 H new ATOM 0 HB3 LYS p 68 -8.542 5.555 -7.756 1.00 0.00 H new ATOM 0 HG2 LYS p 68 -6.663 6.894 -6.703 1.00 0.00 H new ATOM 0 HG3 LYS p 68 -5.967 5.381 -6.155 1.00 0.00 H new ATOM 0 HD2 LYS p 68 -5.827 4.580 -8.499 1.00 0.00 H new ATOM 0 HD3 LYS p 68 -6.561 6.068 -9.063 1.00 0.00 H new ATOM 0 HE2 LYS p 68 -4.659 7.368 -8.128 1.00 0.00 H new ATOM 0 HE3 LYS p 68 -3.927 5.886 -7.546 1.00 0.00 H new ATOM 0 HZ1 LYS p 68 -2.963 6.575 -9.642 1.00 0.00 H new ATOM 0 HZ2 LYS p 68 -3.773 5.095 -9.835 1.00 0.00 H new ATOM 0 HZ3 LYS p 68 -4.482 6.530 -10.399 1.00 0.00 H new ATOM 1123 N LYS p 69 -10.965 4.577 -5.708 1.00 0.00 N ATOM 1124 CA LYS p 69 -12.423 4.587 -5.833 1.00 0.00 C ATOM 1125 C LYS p 69 -12.987 5.127 -4.526 1.00 0.00 C ATOM 1126 O LYS p 69 -14.143 5.544 -4.447 1.00 0.00 O ATOM 1127 CB LYS p 69 -12.972 3.194 -6.113 1.00 0.00 C ATOM 1128 CG LYS p 69 -13.495 3.002 -7.529 1.00 0.00 C ATOM 1129 CD LYS p 69 -14.985 3.299 -7.627 1.00 0.00 C ATOM 1130 CE LYS p 69 -15.502 3.100 -9.043 1.00 0.00 C ATOM 1131 NZ LYS p 69 -16.958 3.393 -9.149 1.00 0.00 N ATOM 0 H LYS p 69 -10.574 3.672 -5.446 1.00 0.00 H new ATOM 0 HA LYS p 69 -12.717 5.214 -6.675 1.00 0.00 H new ATOM 0 HB2 LYS p 69 -12.187 2.462 -5.926 1.00 0.00 H new ATOM 0 HB3 LYS p 69 -13.777 2.985 -5.409 1.00 0.00 H new ATOM 0 HG2 LYS p 69 -12.949 3.655 -8.210 1.00 0.00 H new ATOM 0 HG3 LYS p 69 -13.307 1.978 -7.850 1.00 0.00 H new ATOM 0 HD2 LYS p 69 -15.532 2.649 -6.944 1.00 0.00 H new ATOM 0 HD3 LYS p 69 -15.174 4.325 -7.311 1.00 0.00 H new ATOM 0 HE2 LYS p 69 -14.951 3.747 -9.725 1.00 0.00 H new ATOM 0 HE3 LYS p 69 -15.315 2.073 -9.357 1.00 0.00 H new ATOM 0 HZ1 LYS p 69 -17.271 3.245 -10.130 1.00 0.00 H new ATOM 0 HZ2 LYS p 69 -17.487 2.758 -8.517 1.00 0.00 H new ATOM 0 HZ3 LYS p 69 -17.134 4.380 -8.874 1.00 0.00 H new ATOM 1145 N LYS p 70 -12.114 5.086 -3.504 1.00 0.00 N ATOM 1146 CA LYS p 70 -12.381 5.610 -2.180 1.00 0.00 C ATOM 1147 C LYS p 70 -11.889 7.046 -2.134 1.00 0.00 C ATOM 1148 O LYS p 70 -12.341 7.847 -1.323 1.00 0.00 O ATOM 1149 CB LYS p 70 -11.671 4.792 -1.114 1.00 0.00 C ATOM 1150 CG LYS p 70 -12.592 3.876 -0.331 1.00 0.00 C ATOM 1151 CD LYS p 70 -12.059 3.611 1.067 1.00 0.00 C ATOM 1152 CE LYS p 70 -12.983 2.696 1.854 1.00 0.00 C ATOM 1153 NZ LYS p 70 -12.470 2.435 3.227 1.00 0.00 N ATOM 0 H LYS p 70 -11.185 4.675 -3.592 1.00 0.00 H new ATOM 0 HA LYS p 70 -13.451 5.560 -1.980 1.00 0.00 H new ATOM 0 HB2 LYS p 70 -10.894 4.192 -1.587 1.00 0.00 H new ATOM 0 HB3 LYS p 70 -11.173 5.470 -0.421 1.00 0.00 H new ATOM 0 HG2 LYS p 70 -13.583 4.325 -0.264 1.00 0.00 H new ATOM 0 HG3 LYS p 70 -12.706 2.931 -0.863 1.00 0.00 H new ATOM 0 HD2 LYS p 70 -11.069 3.159 1.000 1.00 0.00 H new ATOM 0 HD3 LYS p 70 -11.943 4.556 1.598 1.00 0.00 H new ATOM 0 HE2 LYS p 70 -13.973 3.147 1.916 1.00 0.00 H new ATOM 0 HE3 LYS p 70 -13.096 1.751 1.323 1.00 0.00 H new ATOM 0 HZ1 LYS p 70 -13.129 1.807 3.730 1.00 0.00 H new ATOM 0 HZ2 LYS p 70 -11.536 1.981 3.168 1.00 0.00 H new ATOM 0 HZ3 LYS p 70 -12.386 3.334 3.743 1.00 0.00 H new ATOM 1167 N ASN p 71 -10.912 7.312 -3.015 1.00 0.00 N ATOM 1168 CA ASN p 71 -10.324 8.642 -3.209 1.00 0.00 C ATOM 1169 C ASN p 71 -11.163 9.379 -4.247 1.00 0.00 C ATOM 1170 O ASN p 71 -11.045 10.587 -4.421 1.00 0.00 O ATOM 1171 CB ASN p 71 -8.867 8.557 -3.673 1.00 0.00 C ATOM 1172 CG ASN p 71 -8.036 9.733 -3.194 1.00 0.00 C ATOM 1173 OD1 ASN p 71 -7.441 9.688 -2.117 1.00 0.00 O ATOM 1174 ND2 ASN p 71 -7.994 10.792 -3.992 1.00 0.00 N ATOM 0 H ASN p 71 -10.505 6.598 -3.619 1.00 0.00 H new ATOM 0 HA ASN p 71 -10.324 9.176 -2.259 1.00 0.00 H new ATOM 0 HB2 ASN p 71 -8.425 7.631 -3.306 1.00 0.00 H new ATOM 0 HB3 ASN p 71 -8.837 8.515 -4.762 1.00 0.00 H new ATOM 0 HD21 ASN p 71 -7.453 11.613 -3.722 1.00 0.00 H new ATOM 0 HD22 ASN p 71 -8.503 10.785 -4.876 1.00 0.00 H new ATOM 1181 N ALA p 72 -11.984 8.577 -4.945 1.00 0.00 N ATOM 1182 CA ALA p 72 -12.950 9.030 -5.939 1.00 0.00 C ATOM 1183 C ALA p 72 -14.248 9.216 -5.197 1.00 0.00 C ATOM 1184 O ALA p 72 -15.143 9.935 -5.630 1.00 0.00 O ATOM 1185 CB ALA p 72 -13.123 8.025 -7.069 1.00 0.00 C ATOM 0 H ALA p 72 -11.988 7.564 -4.823 1.00 0.00 H new ATOM 0 HA ALA p 72 -12.610 9.953 -6.409 1.00 0.00 H new ATOM 0 HB1 ALA p 72 -13.852 8.405 -7.785 1.00 0.00 H new ATOM 0 HB2 ALA p 72 -12.167 7.873 -7.570 1.00 0.00 H new ATOM 0 HB3 ALA p 72 -13.474 7.077 -6.662 1.00 0.00 H new ATOM 1191 N GLN p 73 -14.301 8.506 -4.055 1.00 0.00 N ATOM 1192 CA GLN p 73 -15.367 8.538 -3.108 1.00 0.00 C ATOM 1193 C GLN p 73 -15.099 9.721 -2.205 1.00 0.00 C ATOM 1194 O GLN p 73 -16.004 10.387 -1.724 1.00 0.00 O ATOM 1195 CB GLN p 73 -15.284 7.256 -2.325 1.00 0.00 C ATOM 1196 CG GLN p 73 -16.381 7.078 -1.335 1.00 0.00 C ATOM 1197 CD GLN p 73 -17.302 5.916 -1.654 1.00 0.00 C ATOM 1198 OE1 GLN p 73 -17.068 4.787 -1.223 1.00 0.00 O ATOM 1199 NE2 GLN p 73 -18.356 6.188 -2.414 1.00 0.00 N ATOM 0 H GLN p 73 -13.552 7.871 -3.779 1.00 0.00 H new ATOM 0 HA GLN p 73 -16.353 8.631 -3.564 1.00 0.00 H new ATOM 0 HB2 GLN p 73 -15.296 6.417 -3.020 1.00 0.00 H new ATOM 0 HB3 GLN p 73 -14.328 7.223 -1.802 1.00 0.00 H new ATOM 0 HG2 GLN p 73 -15.947 6.926 -0.347 1.00 0.00 H new ATOM 0 HG3 GLN p 73 -16.969 7.995 -1.287 1.00 0.00 H new ATOM 0 HE21 GLN p 73 -18.511 7.139 -2.749 1.00 0.00 H new ATOM 0 HE22 GLN p 73 -19.011 5.446 -2.662 1.00 0.00 H new ATOM 1208 N LEU p 74 -13.799 9.886 -1.971 1.00 0.00 N ATOM 1209 CA LEU p 74 -13.230 10.984 -1.204 1.00 0.00 C ATOM 1210 C LEU p 74 -13.230 12.220 -2.081 1.00 0.00 C ATOM 1211 O LEU p 74 -13.330 13.321 -1.605 1.00 0.00 O ATOM 1212 CB LEU p 74 -11.805 10.648 -0.771 1.00 0.00 C ATOM 1213 CG LEU p 74 -11.241 11.423 0.421 1.00 0.00 C ATOM 1214 CD1 LEU p 74 -11.779 10.892 1.746 1.00 0.00 C ATOM 1215 CD2 LEU p 74 -9.732 11.329 0.382 1.00 0.00 C ATOM 0 H LEU p 74 -13.094 9.238 -2.322 1.00 0.00 H new ATOM 0 HA LEU p 74 -13.823 11.158 -0.306 1.00 0.00 H new ATOM 0 HB2 LEU p 74 -11.765 9.585 -0.534 1.00 0.00 H new ATOM 0 HB3 LEU p 74 -11.145 10.810 -1.623 1.00 0.00 H new ATOM 0 HG LEU p 74 -11.555 12.464 0.349 1.00 0.00 H new ATOM 0 HD11 LEU p 74 -11.355 11.468 2.568 1.00 0.00 H new ATOM 0 HD12 LEU p 74 -12.865 10.984 1.761 1.00 0.00 H new ATOM 0 HD13 LEU p 74 -11.502 9.844 1.857 1.00 0.00 H new ATOM 0 HD21 LEU p 74 -9.311 11.876 1.225 1.00 0.00 H new ATOM 0 HD22 LEU p 74 -9.431 10.283 0.442 1.00 0.00 H new ATOM 0 HD23 LEU p 74 -9.365 11.760 -0.549 1.00 0.00 H new ATOM 1227 N LYS p 75 -13.140 11.981 -3.386 1.00 0.00 N ATOM 1228 CA LYS p 75 -13.191 13.030 -4.401 1.00 0.00 C ATOM 1229 C LYS p 75 -14.651 13.319 -4.640 1.00 0.00 C ATOM 1230 O LYS p 75 -15.036 14.376 -5.148 1.00 0.00 O ATOM 1231 CB LYS p 75 -12.529 12.575 -5.695 1.00 0.00 C ATOM 1232 CG LYS p 75 -11.358 13.437 -6.140 1.00 0.00 C ATOM 1233 CD LYS p 75 -11.698 14.238 -7.386 1.00 0.00 C ATOM 1234 CE LYS p 75 -10.524 15.092 -7.837 1.00 0.00 C ATOM 1235 NZ LYS p 75 -10.848 15.880 -9.059 1.00 0.00 N ATOM 0 H LYS p 75 -13.028 11.044 -3.773 1.00 0.00 H new ATOM 0 HA LYS p 75 -12.655 13.917 -4.064 1.00 0.00 H new ATOM 0 HB2 LYS p 75 -12.182 11.549 -5.570 1.00 0.00 H new ATOM 0 HB3 LYS p 75 -13.278 12.564 -6.487 1.00 0.00 H new ATOM 0 HG2 LYS p 75 -11.078 14.116 -5.335 1.00 0.00 H new ATOM 0 HG3 LYS p 75 -10.493 12.804 -6.338 1.00 0.00 H new ATOM 0 HD2 LYS p 75 -11.985 13.559 -8.189 1.00 0.00 H new ATOM 0 HD3 LYS p 75 -12.558 14.877 -7.186 1.00 0.00 H new ATOM 0 HE2 LYS p 75 -10.238 15.770 -7.033 1.00 0.00 H new ATOM 0 HE3 LYS p 75 -9.664 14.452 -8.035 1.00 0.00 H new ATOM 0 HZ1 LYS p 75 -10.022 16.449 -9.334 1.00 0.00 H new ATOM 0 HZ2 LYS p 75 -11.096 15.232 -9.834 1.00 0.00 H new ATOM 0 HZ3 LYS p 75 -11.652 16.510 -8.863 1.00 0.00 H new ATOM 1249 N LYS p 76 -15.451 12.320 -4.245 1.00 0.00 N ATOM 1250 CA LYS p 76 -16.901 12.406 -4.309 1.00 0.00 C ATOM 1251 C LYS p 76 -17.390 12.998 -3.008 1.00 0.00 C ATOM 1252 O LYS p 76 -18.398 13.709 -2.968 1.00 0.00 O ATOM 1253 CB LYS p 76 -17.526 11.036 -4.539 1.00 0.00 C ATOM 1254 CG LYS p 76 -18.046 10.817 -5.952 1.00 0.00 C ATOM 1255 CD LYS p 76 -19.535 11.124 -6.060 1.00 0.00 C ATOM 1256 CE LYS p 76 -20.065 10.863 -7.462 1.00 0.00 C ATOM 1257 NZ LYS p 76 -19.648 11.919 -8.428 1.00 0.00 N ATOM 0 H LYS p 76 -15.105 11.435 -3.874 1.00 0.00 H new ATOM 0 HA LYS p 76 -17.194 13.037 -5.148 1.00 0.00 H new ATOM 0 HB2 LYS p 76 -16.785 10.269 -4.313 1.00 0.00 H new ATOM 0 HB3 LYS p 76 -18.348 10.902 -3.836 1.00 0.00 H new ATOM 0 HG2 LYS p 76 -17.493 11.451 -6.645 1.00 0.00 H new ATOM 0 HG3 LYS p 76 -17.865 9.784 -6.250 1.00 0.00 H new ATOM 0 HD2 LYS p 76 -20.085 10.513 -5.344 1.00 0.00 H new ATOM 0 HD3 LYS p 76 -19.712 12.166 -5.793 1.00 0.00 H new ATOM 0 HE2 LYS p 76 -19.707 9.894 -7.809 1.00 0.00 H new ATOM 0 HE3 LYS p 76 -21.153 10.809 -7.433 1.00 0.00 H new ATOM 0 HZ1 LYS p 76 -20.032 11.700 -9.369 1.00 0.00 H new ATOM 0 HZ2 LYS p 76 -20.011 12.841 -8.112 1.00 0.00 H new ATOM 0 HZ3 LYS p 76 -18.610 11.954 -8.477 1.00 0.00 H new ATOM 1271 N LYS p 77 -16.646 12.685 -1.940 1.00 0.00 N ATOM 1272 CA LYS p 77 -16.930 13.219 -0.623 1.00 0.00 C ATOM 1273 C LYS p 77 -16.230 14.562 -0.436 1.00 0.00 C ATOM 1274 O LYS p 77 -16.580 15.331 0.463 1.00 0.00 O ATOM 1275 CB LYS p 77 -16.499 12.237 0.458 1.00 0.00 C ATOM 1276 CG LYS p 77 -17.610 11.318 0.929 1.00 0.00 C ATOM 1277 CD LYS p 77 -17.248 10.633 2.238 1.00 0.00 C ATOM 1278 CE LYS p 77 -18.366 9.721 2.717 1.00 0.00 C ATOM 1279 NZ LYS p 77 -18.020 9.046 3.999 1.00 0.00 N ATOM 0 H LYS p 77 -15.841 12.060 -1.974 1.00 0.00 H new ATOM 0 HA LYS p 77 -18.006 13.372 -0.535 1.00 0.00 H new ATOM 0 HB2 LYS p 77 -15.676 11.632 0.078 1.00 0.00 H new ATOM 0 HB3 LYS p 77 -16.116 12.796 1.312 1.00 0.00 H new ATOM 0 HG2 LYS p 77 -18.528 11.891 1.059 1.00 0.00 H new ATOM 0 HG3 LYS p 77 -17.809 10.565 0.166 1.00 0.00 H new ATOM 0 HD2 LYS p 77 -16.335 10.053 2.106 1.00 0.00 H new ATOM 0 HD3 LYS p 77 -17.040 11.386 2.998 1.00 0.00 H new ATOM 0 HE2 LYS p 77 -19.279 10.303 2.848 1.00 0.00 H new ATOM 0 HE3 LYS p 77 -18.573 8.969 1.955 1.00 0.00 H new ATOM 0 HZ1 LYS p 77 -18.807 8.433 4.292 1.00 0.00 H new ATOM 0 HZ2 LYS p 77 -17.164 8.471 3.868 1.00 0.00 H new ATOM 0 HZ3 LYS p 77 -17.847 9.762 4.733 1.00 0.00 H new ATOM 1293 N LEU p 78 -15.230 14.830 -1.300 1.00 0.00 N ATOM 1294 CA LEU p 78 -14.476 16.093 -1.267 1.00 0.00 C ATOM 1295 C LEU p 78 -15.376 17.317 -1.447 1.00 0.00 C ATOM 1296 O LEU p 78 -15.450 18.189 -0.577 1.00 0.00 O ATOM 1297 CB LEU p 78 -13.420 16.080 -2.378 1.00 0.00 C ATOM 1298 CG LEU p 78 -11.961 15.985 -1.933 1.00 0.00 C ATOM 1299 CD1 LEU p 78 -11.071 15.770 -3.141 1.00 0.00 C ATOM 1300 CD2 LEU p 78 -11.546 17.239 -1.185 1.00 0.00 C ATOM 0 H LEU p 78 -14.928 14.185 -2.030 1.00 0.00 H new ATOM 0 HA LEU p 78 -14.009 16.169 -0.285 1.00 0.00 H new ATOM 0 HB2 LEU p 78 -13.630 15.239 -3.038 1.00 0.00 H new ATOM 0 HB3 LEU p 78 -13.537 16.987 -2.970 1.00 0.00 H new ATOM 0 HG LEU p 78 -11.854 15.137 -1.257 1.00 0.00 H new ATOM 0 HD11 LEU p 78 -10.032 15.703 -2.820 1.00 0.00 H new ATOM 0 HD12 LEU p 78 -11.356 14.846 -3.643 1.00 0.00 H new ATOM 0 HD13 LEU p 78 -11.184 16.607 -3.830 1.00 0.00 H new ATOM 0 HD21 LEU p 78 -10.504 17.151 -0.877 1.00 0.00 H new ATOM 0 HD22 LEU p 78 -11.660 18.106 -1.836 1.00 0.00 H new ATOM 0 HD23 LEU p 78 -12.176 17.362 -0.304 1.00 0.00 H new ATOM 1312 N GLN p 79 -16.042 17.347 -2.591 1.00 0.00 N ATOM 1313 CA GLN p 79 -16.965 18.412 -2.970 1.00 0.00 C ATOM 1314 C GLN p 79 -18.306 18.276 -2.254 1.00 0.00 C ATOM 1315 O GLN p 79 -18.883 19.262 -1.787 1.00 0.00 O ATOM 1316 CB GLN p 79 -17.190 18.384 -4.487 1.00 0.00 C ATOM 1317 CG GLN p 79 -15.942 18.079 -5.311 1.00 0.00 C ATOM 1318 CD GLN p 79 -15.536 19.232 -6.207 1.00 0.00 C ATOM 1319 OE1 GLN p 79 -14.761 20.100 -5.808 1.00 0.00 O ATOM 1320 NE2 GLN p 79 -16.061 19.246 -7.427 1.00 0.00 N ATOM 0 H GLN p 79 -15.956 16.617 -3.299 1.00 0.00 H new ATOM 0 HA GLN p 79 -16.519 19.362 -2.675 1.00 0.00 H new ATOM 0 HB2 GLN p 79 -17.950 17.637 -4.714 1.00 0.00 H new ATOM 0 HB3 GLN p 79 -17.588 19.349 -4.799 1.00 0.00 H new ATOM 0 HG2 GLN p 79 -15.118 17.839 -4.639 1.00 0.00 H new ATOM 0 HG3 GLN p 79 -16.123 17.195 -5.923 1.00 0.00 H new ATOM 0 HE21 GLN p 79 -16.700 18.505 -7.716 1.00 0.00 H new ATOM 0 HE22 GLN p 79 -15.825 19.998 -8.075 1.00 0.00 H new ATOM 1329 N ALA p 80 -18.775 17.037 -2.184 1.00 0.00 N ATOM 1330 CA ALA p 80 -20.046 16.705 -1.538 1.00 0.00 C ATOM 1331 C ALA p 80 -19.825 16.187 -0.117 1.00 0.00 C ATOM 1332 O ALA p 80 -19.190 15.121 0.039 1.00 0.00 O ATOM 1333 CB ALA p 80 -20.812 15.687 -2.374 1.00 0.00 C ATOM 1334 OXT ALA p 80 -20.289 16.855 0.832 1.00 0.00 O ATOM 0 H ALA p 80 -18.287 16.230 -2.573 1.00 0.00 H new ATOM 0 HA ALA p 80 -20.641 17.615 -1.468 1.00 0.00 H new ATOM 0 HB1 ALA p 80 -21.755 15.449 -1.883 1.00 0.00 H new ATOM 0 HB2 ALA p 80 -21.012 16.104 -3.361 1.00 0.00 H new ATOM 0 HB3 ALA p 80 -20.217 14.779 -2.477 1.00 0.00 H new