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+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: p 27 LYS NZ :NH3+ -178:sc= 0 (180deg=0) USER MOD Single : p 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : p 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : p 11 ASN : amide:sc= -0.103 K(o=-0.1,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 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+ -163:sc= -0.717 (180deg=-1.25) USER MOD Single : p 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : p 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : p 71 ASN : amide:sc= 0 K(o=0,f=-0.76) 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 -5.478 21.130 5.237 1.00 0.00 N ATOM 38 CA ALA p 3 -5.353 20.055 6.225 1.00 0.00 C ATOM 39 C ALA p 3 -6.126 18.833 5.763 1.00 0.00 C ATOM 40 O ALA p 3 -5.950 17.737 6.284 1.00 0.00 O ATOM 41 CB ALA p 3 -5.860 20.524 7.581 1.00 0.00 C ATOM 0 HA ALA p 3 -4.301 19.787 6.324 1.00 0.00 H new ATOM 0 HB1 ALA p 3 -5.761 19.716 8.306 1.00 0.00 H new ATOM 0 HB2 ALA p 3 -5.274 21.381 7.912 1.00 0.00 H new ATOM 0 HB3 ALA p 3 -6.908 20.811 7.498 1.00 0.00 H new ATOM 47 N LEU p 4 -7.004 19.078 4.788 1.00 0.00 N ATOM 48 CA LEU p 4 -7.850 18.077 4.168 1.00 0.00 C ATOM 49 C LEU p 4 -7.115 17.561 2.942 1.00 0.00 C ATOM 50 O LEU p 4 -7.194 16.386 2.583 1.00 0.00 O ATOM 51 CB LEU p 4 -9.217 18.705 3.798 1.00 0.00 C ATOM 52 CG LEU p 4 -10.296 17.770 3.204 1.00 0.00 C ATOM 53 CD1 LEU p 4 -10.222 17.774 1.686 1.00 0.00 C ATOM 54 CD2 LEU p 4 -10.151 16.351 3.734 1.00 0.00 C ATOM 0 H LEU p 4 -7.144 20.011 4.402 1.00 0.00 H new ATOM 0 HA LEU p 4 -8.053 17.248 4.846 1.00 0.00 H new ATOM 0 HB2 LEU p 4 -9.629 19.166 4.696 1.00 0.00 H new ATOM 0 HB3 LEU p 4 -9.036 19.507 3.082 1.00 0.00 H new ATOM 0 HG LEU p 4 -11.271 18.147 3.513 1.00 0.00 H new ATOM 0 HD11 LEU p 4 -10.988 17.111 1.283 1.00 0.00 H new ATOM 0 HD12 LEU p 4 -10.387 18.786 1.316 1.00 0.00 H new ATOM 0 HD13 LEU p 4 -9.238 17.428 1.369 1.00 0.00 H new ATOM 0 HD21 LEU p 4 -10.924 15.719 3.297 1.00 0.00 H new ATOM 0 HD22 LEU p 4 -9.169 15.961 3.466 1.00 0.00 H new ATOM 0 HD23 LEU p 4 -10.256 16.355 4.819 1.00 0.00 H new ATOM 66 N GLU p 5 -6.406 18.501 2.328 1.00 0.00 N ATOM 67 CA GLU p 5 -5.560 18.259 1.160 1.00 0.00 C ATOM 68 C GLU p 5 -4.239 17.698 1.637 1.00 0.00 C ATOM 69 O GLU p 5 -3.539 17.013 0.902 1.00 0.00 O ATOM 70 CB GLU p 5 -5.303 19.546 0.376 1.00 0.00 C ATOM 71 CG GLU p 5 -6.534 20.416 0.226 1.00 0.00 C ATOM 72 CD GLU p 5 -6.789 20.842 -1.207 1.00 0.00 C ATOM 73 OE1 GLU p 5 -7.483 20.099 -1.932 1.00 0.00 O ATOM 74 OE2 GLU p 5 -6.294 21.918 -1.603 1.00 0.00 O ATOM 0 H GLU p 5 -6.402 19.474 2.633 1.00 0.00 H new ATOM 0 HA GLU p 5 -6.070 17.559 0.498 1.00 0.00 H new ATOM 0 HB2 GLU p 5 -4.522 20.118 0.877 1.00 0.00 H new ATOM 0 HB3 GLU p 5 -4.925 19.290 -0.614 1.00 0.00 H new ATOM 0 HG2 GLU p 5 -7.403 19.873 0.598 1.00 0.00 H new ATOM 0 HG3 GLU p 5 -6.423 21.304 0.849 1.00 0.00 H new ATOM 81 N LYS p 6 -3.932 18.039 2.893 1.00 0.00 N ATOM 82 CA LYS p 6 -2.717 17.570 3.586 1.00 0.00 C ATOM 83 C LYS p 6 -2.989 16.257 4.304 1.00 0.00 C ATOM 84 O LYS p 6 -2.065 15.564 4.704 1.00 0.00 O ATOM 85 CB LYS p 6 -2.204 18.591 4.591 1.00 0.00 C ATOM 86 CG LYS p 6 -0.941 19.309 4.140 1.00 0.00 C ATOM 87 CD LYS p 6 -0.449 20.284 5.196 1.00 0.00 C ATOM 88 CE LYS p 6 0.865 20.930 4.789 1.00 0.00 C ATOM 89 NZ LYS p 6 1.361 21.880 5.823 1.00 0.00 N ATOM 0 H LYS p 6 -4.518 18.649 3.463 1.00 0.00 H new ATOM 0 HA LYS p 6 -1.952 17.425 2.824 1.00 0.00 H new ATOM 0 HB2 LYS p 6 -2.984 19.329 4.777 1.00 0.00 H new ATOM 0 HB3 LYS p 6 -2.008 18.089 5.538 1.00 0.00 H new ATOM 0 HG2 LYS p 6 -0.161 18.578 3.927 1.00 0.00 H new ATOM 0 HG3 LYS p 6 -1.138 19.845 3.211 1.00 0.00 H new ATOM 0 HD2 LYS p 6 -1.201 21.057 5.358 1.00 0.00 H new ATOM 0 HD3 LYS p 6 -0.320 19.761 6.144 1.00 0.00 H new ATOM 0 HE2 LYS p 6 1.613 20.155 4.619 1.00 0.00 H new ATOM 0 HE3 LYS p 6 0.733 21.458 3.845 1.00 0.00 H new ATOM 0 HZ1 LYS p 6 2.259 22.299 5.507 1.00 0.00 H new ATOM 0 HZ2 LYS p 6 0.659 22.634 5.967 1.00 0.00 H new ATOM 0 HZ3 LYS p 6 1.512 21.372 6.718 1.00 0.00 H new ATOM 103 N GLU p 7 -4.281 15.966 4.481 1.00 0.00 N ATOM 104 CA GLU p 7 -4.774 14.727 5.090 1.00 0.00 C ATOM 105 C GLU p 7 -4.908 13.707 3.968 1.00 0.00 C ATOM 106 O GLU p 7 -4.882 12.497 4.176 1.00 0.00 O ATOM 107 CB GLU p 7 -6.122 15.003 5.768 1.00 0.00 C ATOM 108 CG GLU p 7 -7.114 13.852 5.754 1.00 0.00 C ATOM 109 CD GLU p 7 -7.421 13.318 7.140 1.00 0.00 C ATOM 110 OE1 GLU p 7 -6.617 12.513 7.657 1.00 0.00 O ATOM 111 OE2 GLU p 7 -8.463 13.706 7.707 1.00 0.00 O ATOM 0 H GLU p 7 -5.030 16.599 4.199 1.00 0.00 H new ATOM 0 HA GLU p 7 -4.096 14.345 5.854 1.00 0.00 H new ATOM 0 HB2 GLU p 7 -5.936 15.285 6.804 1.00 0.00 H new ATOM 0 HB3 GLU p 7 -6.584 15.862 5.281 1.00 0.00 H new ATOM 0 HG2 GLU p 7 -8.040 14.184 5.285 1.00 0.00 H new ATOM 0 HG3 GLU p 7 -6.717 13.044 5.139 1.00 0.00 H new ATOM 118 N LEU p 8 -5.057 14.288 2.783 1.00 0.00 N ATOM 119 CA LEU p 8 -5.163 13.619 1.515 1.00 0.00 C ATOM 120 C LEU p 8 -3.755 13.479 0.967 1.00 0.00 C ATOM 121 O LEU p 8 -3.454 12.557 0.221 1.00 0.00 O ATOM 122 CB LEU p 8 -6.052 14.466 0.583 1.00 0.00 C ATOM 123 CG LEU p 8 -5.711 14.442 -0.912 1.00 0.00 C ATOM 124 CD1 LEU p 8 -6.007 13.078 -1.485 1.00 0.00 C ATOM 125 CD2 LEU p 8 -6.470 15.529 -1.649 1.00 0.00 C ATOM 0 H LEU p 8 -5.109 15.302 2.689 1.00 0.00 H new ATOM 0 HA LEU p 8 -5.618 12.632 1.605 1.00 0.00 H new ATOM 0 HB2 LEU p 8 -7.083 14.132 0.701 1.00 0.00 H new ATOM 0 HB3 LEU p 8 -6.012 15.501 0.924 1.00 0.00 H new ATOM 0 HG LEU p 8 -4.647 14.641 -1.038 1.00 0.00 H new ATOM 0 HD11 LEU p 8 -5.762 13.069 -2.547 1.00 0.00 H new ATOM 0 HD12 LEU p 8 -5.408 12.328 -0.968 1.00 0.00 H new ATOM 0 HD13 LEU p 8 -7.065 12.850 -1.354 1.00 0.00 H new ATOM 0 HD21 LEU p 8 -6.215 15.496 -2.708 1.00 0.00 H new ATOM 0 HD22 LEU p 8 -7.542 15.370 -1.528 1.00 0.00 H new ATOM 0 HD23 LEU p 8 -6.199 16.503 -1.241 1.00 0.00 H new ATOM 137 N ALA p 9 -2.939 14.471 1.337 1.00 0.00 N ATOM 138 CA ALA p 9 -1.513 14.522 1.004 1.00 0.00 C ATOM 139 C ALA p 9 -0.764 13.679 2.020 1.00 0.00 C ATOM 140 O ALA p 9 0.376 13.280 1.803 1.00 0.00 O ATOM 141 CB ALA p 9 -0.961 15.941 0.990 1.00 0.00 C ATOM 0 H ALA p 9 -3.255 15.272 1.884 1.00 0.00 H new ATOM 0 HA ALA p 9 -1.380 14.133 -0.006 1.00 0.00 H new ATOM 0 HB1 ALA p 9 0.099 15.917 0.737 1.00 0.00 H new ATOM 0 HB2 ALA p 9 -1.497 16.533 0.248 1.00 0.00 H new ATOM 0 HB3 ALA p 9 -1.089 16.391 1.975 1.00 0.00 H new ATOM 147 N GLN p 10 -1.456 13.455 3.150 1.00 0.00 N ATOM 148 CA GLN p 10 -0.990 12.609 4.242 1.00 0.00 C ATOM 149 C GLN p 10 -1.557 11.224 3.988 1.00 0.00 C ATOM 150 O GLN p 10 -1.063 10.225 4.498 1.00 0.00 O ATOM 151 CB GLN p 10 -1.452 13.184 5.590 1.00 0.00 C ATOM 152 CG GLN p 10 -1.837 12.167 6.657 1.00 0.00 C ATOM 153 CD GLN p 10 -1.004 12.290 7.918 1.00 0.00 C ATOM 154 OE1 GLN p 10 0.049 11.664 8.042 1.00 0.00 O ATOM 155 NE2 GLN p 10 -1.473 13.097 8.861 1.00 0.00 N ATOM 0 H GLN p 10 -2.372 13.869 3.325 1.00 0.00 H new ATOM 0 HA GLN p 10 0.098 12.563 4.285 1.00 0.00 H new ATOM 0 HB2 GLN p 10 -0.654 13.812 5.987 1.00 0.00 H new ATOM 0 HB3 GLN p 10 -2.309 13.833 5.410 1.00 0.00 H new ATOM 0 HG2 GLN p 10 -2.890 12.294 6.909 1.00 0.00 H new ATOM 0 HG3 GLN p 10 -1.725 11.162 6.251 1.00 0.00 H new ATOM 0 HE21 GLN p 10 -2.350 13.596 8.715 1.00 0.00 H new ATOM 0 HE22 GLN p 10 -0.956 13.218 9.732 1.00 0.00 H new ATOM 164 N ASN p 11 -2.638 11.238 3.200 1.00 0.00 N ATOM 165 CA ASN p 11 -3.328 10.035 2.731 1.00 0.00 C ATOM 166 C ASN p 11 -2.617 9.600 1.463 1.00 0.00 C ATOM 167 O ASN p 11 -2.681 8.443 1.045 1.00 0.00 O ATOM 168 CB ASN p 11 -4.812 10.289 2.436 1.00 0.00 C ATOM 169 CG ASN p 11 -5.671 9.039 2.566 1.00 0.00 C ATOM 170 OD1 ASN p 11 -5.428 8.179 3.416 1.00 0.00 O ATOM 171 ND2 ASN p 11 -6.688 8.934 1.718 1.00 0.00 N ATOM 0 H ASN p 11 -3.064 12.102 2.865 1.00 0.00 H new ATOM 0 HA ASN p 11 -3.298 9.268 3.505 1.00 0.00 H new ATOM 0 HB2 ASN p 11 -5.186 11.052 3.119 1.00 0.00 H new ATOM 0 HB3 ASN p 11 -4.912 10.688 1.426 1.00 0.00 H new ATOM 0 HD21 ASN p 11 -7.301 8.120 1.756 1.00 0.00 H new ATOM 0 HD22 ASN p 11 -6.856 9.667 1.029 1.00 0.00 H new ATOM 178 N GLU p 12 -1.940 10.597 0.871 1.00 0.00 N ATOM 179 CA GLU p 12 -1.129 10.462 -0.288 1.00 0.00 C ATOM 180 C GLU p 12 0.235 10.022 0.187 1.00 0.00 C ATOM 181 O GLU p 12 0.900 9.232 -0.446 1.00 0.00 O ATOM 182 CB GLU p 12 -1.033 11.825 -0.920 1.00 0.00 C ATOM 183 CG GLU p 12 -0.324 11.839 -2.225 1.00 0.00 C ATOM 184 CD GLU p 12 -1.222 12.179 -3.398 1.00 0.00 C ATOM 185 OE1 GLU p 12 -1.849 11.254 -3.955 1.00 0.00 O ATOM 186 OE2 GLU p 12 -1.300 13.373 -3.760 1.00 0.00 O ATOM 0 H GLU p 12 -1.963 11.553 1.226 1.00 0.00 H new ATOM 0 HA GLU p 12 -1.529 9.746 -1.006 1.00 0.00 H new ATOM 0 HB2 GLU p 12 -2.039 12.220 -1.061 1.00 0.00 H new ATOM 0 HB3 GLU p 12 -0.520 12.497 -0.232 1.00 0.00 H new ATOM 0 HG2 GLU p 12 0.490 12.562 -2.179 1.00 0.00 H new ATOM 0 HG3 GLU p 12 0.127 10.861 -2.395 1.00 0.00 H new ATOM 193 N TRP p 13 0.600 10.619 1.322 1.00 0.00 N ATOM 194 CA TRP p 13 1.846 10.337 2.049 1.00 0.00 C ATOM 195 C TRP p 13 1.674 9.035 2.804 1.00 0.00 C ATOM 196 O TRP p 13 2.641 8.447 3.271 1.00 0.00 O ATOM 197 CB TRP p 13 2.215 11.458 3.025 1.00 0.00 C ATOM 198 CG TRP p 13 3.699 11.618 3.213 1.00 0.00 C ATOM 199 CD1 TRP p 13 4.538 12.391 2.463 1.00 0.00 C ATOM 200 CD2 TRP p 13 4.520 10.986 4.210 1.00 0.00 C ATOM 201 NE1 TRP p 13 5.825 12.283 2.928 1.00 0.00 N ATOM 202 CE2 TRP p 13 5.841 11.428 3.999 1.00 0.00 C ATOM 203 CE3 TRP p 13 4.271 10.094 5.261 1.00 0.00 C ATOM 204 CZ2 TRP p 13 6.904 11.008 4.796 1.00 0.00 C ATOM 205 CZ3 TRP p 13 5.327 9.679 6.050 1.00 0.00 C ATOM 206 CH2 TRP p 13 6.629 10.136 5.814 1.00 0.00 C ATOM 0 H TRP p 13 0.026 11.330 1.775 1.00 0.00 H new ATOM 0 HA TRP p 13 2.658 10.264 1.326 1.00 0.00 H new ATOM 0 HB2 TRP p 13 1.798 12.398 2.663 1.00 0.00 H new ATOM 0 HB3 TRP p 13 1.753 11.256 3.991 1.00 0.00 H new ATOM 0 HD1 TRP p 13 4.233 13.000 1.625 1.00 0.00 H new ATOM 0 HE1 TRP p 13 6.638 12.762 2.539 1.00 0.00 H new ATOM 0 HE3 TRP p 13 3.270 9.736 5.452 1.00 0.00 H new ATOM 0 HZ2 TRP p 13 7.910 11.358 4.617 1.00 0.00 H new ATOM 0 HZ3 TRP p 13 5.145 8.991 6.862 1.00 0.00 H new ATOM 0 HH2 TRP p 13 7.433 9.793 6.448 1.00 0.00 H new ATOM 217 N GLU p 14 0.396 8.641 2.943 1.00 0.00 N ATOM 218 CA GLU p 14 -0.023 7.400 3.527 1.00 0.00 C ATOM 219 C GLU p 14 0.033 6.382 2.414 1.00 0.00 C ATOM 220 O GLU p 14 0.238 5.191 2.617 1.00 0.00 O ATOM 221 CB GLU p 14 -1.448 7.582 3.970 1.00 0.00 C ATOM 222 CG GLU p 14 -2.050 6.370 4.589 1.00 0.00 C ATOM 223 CD GLU p 14 -2.489 6.576 6.025 1.00 0.00 C ATOM 224 OE1 GLU p 14 -3.647 6.995 6.238 1.00 0.00 O ATOM 225 OE2 GLU p 14 -1.676 6.318 6.938 1.00 0.00 O ATOM 0 H GLU p 14 -0.387 9.216 2.633 1.00 0.00 H new ATOM 0 HA GLU p 14 0.592 7.090 4.372 1.00 0.00 H new ATOM 0 HB2 GLU p 14 -1.493 8.403 4.686 1.00 0.00 H new ATOM 0 HB3 GLU p 14 -2.050 7.875 3.110 1.00 0.00 H new ATOM 0 HG2 GLU p 14 -2.910 6.059 3.996 1.00 0.00 H new ATOM 0 HG3 GLU p 14 -1.326 5.556 4.552 1.00 0.00 H new ATOM 232 N LEU p 15 -0.232 6.950 1.243 1.00 0.00 N ATOM 233 CA LEU p 15 -0.201 6.278 -0.041 1.00 0.00 C ATOM 234 C LEU p 15 1.258 6.145 -0.466 1.00 0.00 C ATOM 235 O LEU p 15 1.639 5.172 -1.094 1.00 0.00 O ATOM 236 CB LEU p 15 -1.022 7.082 -1.077 1.00 0.00 C ATOM 237 CG LEU p 15 -1.177 6.492 -2.498 1.00 0.00 C ATOM 238 CD1 LEU p 15 -0.099 7.051 -3.409 1.00 0.00 C ATOM 239 CD2 LEU p 15 -1.119 4.974 -2.483 1.00 0.00 C ATOM 0 H LEU p 15 -0.485 7.935 1.165 1.00 0.00 H new ATOM 0 HA LEU p 15 -0.648 5.286 0.028 1.00 0.00 H new ATOM 0 HB2 LEU p 15 -2.021 7.232 -0.667 1.00 0.00 H new ATOM 0 HB3 LEU p 15 -0.565 8.067 -1.173 1.00 0.00 H new ATOM 0 HG LEU p 15 -2.157 6.780 -2.878 1.00 0.00 H new ATOM 0 HD11 LEU p 15 -0.214 6.631 -4.408 1.00 0.00 H new ATOM 0 HD12 LEU p 15 -0.191 8.136 -3.458 1.00 0.00 H new ATOM 0 HD13 LEU p 15 0.883 6.787 -3.015 1.00 0.00 H new ATOM 0 HD21 LEU p 15 -1.231 4.596 -3.499 1.00 0.00 H new ATOM 0 HD22 LEU p 15 -0.160 4.651 -2.079 1.00 0.00 H new ATOM 0 HD23 LEU p 15 -1.924 4.585 -1.860 1.00 0.00 H new ATOM 251 N GLN p 16 2.037 7.157 -0.071 1.00 0.00 N ATOM 252 CA GLN p 16 3.493 7.238 -0.303 1.00 0.00 C ATOM 253 C GLN p 16 4.132 6.432 0.774 1.00 0.00 C ATOM 254 O GLN p 16 5.267 6.004 0.669 1.00 0.00 O ATOM 255 CB GLN p 16 4.024 8.666 -0.226 1.00 0.00 C ATOM 256 CG GLN p 16 3.331 9.596 -1.181 1.00 0.00 C ATOM 257 CD GLN p 16 4.289 10.439 -2.000 1.00 0.00 C ATOM 258 OE1 GLN p 16 4.720 10.036 -3.081 1.00 0.00 O ATOM 259 NE2 GLN p 16 4.627 11.615 -1.487 1.00 0.00 N ATOM 0 H GLN p 16 1.669 7.965 0.432 1.00 0.00 H new ATOM 0 HA GLN p 16 3.718 6.872 -1.305 1.00 0.00 H new ATOM 0 HB2 GLN p 16 3.903 9.040 0.791 1.00 0.00 H new ATOM 0 HB3 GLN p 16 5.093 8.664 -0.439 1.00 0.00 H new ATOM 0 HG2 GLN p 16 2.704 9.012 -1.855 1.00 0.00 H new ATOM 0 HG3 GLN p 16 2.668 10.254 -0.619 1.00 0.00 H new ATOM 0 HE21 GLN p 16 4.245 11.908 -0.588 1.00 0.00 H new ATOM 0 HE22 GLN p 16 5.269 12.226 -1.992 1.00 0.00 H new ATOM 268 N ALA p 17 3.348 6.326 1.839 1.00 0.00 N ATOM 269 CA ALA p 17 3.666 5.500 3.007 1.00 0.00 C ATOM 270 C ALA p 17 3.168 4.102 2.711 1.00 0.00 C ATOM 271 O ALA p 17 3.546 3.142 3.371 1.00 0.00 O ATOM 272 CB ALA p 17 3.037 6.019 4.291 1.00 0.00 C ATOM 0 H ALA p 17 2.458 6.818 1.921 1.00 0.00 H new ATOM 0 HA ALA p 17 4.743 5.521 3.174 1.00 0.00 H new ATOM 0 HB1 ALA p 17 3.309 5.365 5.120 1.00 0.00 H new ATOM 0 HB2 ALA p 17 3.398 7.028 4.491 1.00 0.00 H new ATOM 0 HB3 ALA p 17 1.952 6.036 4.184 1.00 0.00 H new ATOM 278 N LEU p 18 2.274 4.044 1.706 1.00 0.00 N ATOM 279 CA LEU p 18 1.715 2.810 1.186 1.00 0.00 C ATOM 280 C LEU p 18 2.614 2.365 0.044 1.00 0.00 C ATOM 281 O LEU p 18 2.687 1.188 -0.288 1.00 0.00 O ATOM 282 CB LEU p 18 0.268 3.016 0.697 1.00 0.00 C ATOM 283 CG LEU p 18 -0.520 1.766 0.246 1.00 0.00 C ATOM 284 CD1 LEU p 18 -0.421 1.616 -1.262 1.00 0.00 C ATOM 285 CD2 LEU p 18 -0.011 0.510 0.935 1.00 0.00 C ATOM 0 H LEU p 18 1.922 4.876 1.233 1.00 0.00 H new ATOM 0 HA LEU p 18 1.673 2.050 1.967 1.00 0.00 H new ATOM 0 HB2 LEU p 18 -0.293 3.495 1.500 1.00 0.00 H new ATOM 0 HB3 LEU p 18 0.292 3.717 -0.137 1.00 0.00 H new ATOM 0 HG LEU p 18 -1.564 1.899 0.530 1.00 0.00 H new ATOM 0 HD11 LEU p 18 -0.978 0.733 -1.577 1.00 0.00 H new ATOM 0 HD12 LEU p 18 -0.839 2.500 -1.744 1.00 0.00 H new ATOM 0 HD13 LEU p 18 0.625 1.507 -1.549 1.00 0.00 H new ATOM 0 HD21 LEU p 18 -0.587 -0.350 0.595 1.00 0.00 H new ATOM 0 HD22 LEU p 18 1.041 0.362 0.691 1.00 0.00 H new ATOM 0 HD23 LEU p 18 -0.121 0.617 2.014 1.00 0.00 H new ATOM 297 N GLU p 19 3.270 3.371 -0.552 1.00 0.00 N ATOM 298 CA GLU p 19 4.258 3.172 -1.628 1.00 0.00 C ATOM 299 C GLU p 19 5.580 2.935 -0.962 1.00 0.00 C ATOM 300 O GLU p 19 6.435 2.253 -1.480 1.00 0.00 O ATOM 301 CB GLU p 19 4.413 4.373 -2.563 1.00 0.00 C ATOM 302 CG GLU p 19 3.124 4.837 -3.182 1.00 0.00 C ATOM 303 CD GLU p 19 3.093 4.669 -4.688 1.00 0.00 C ATOM 304 OE1 GLU p 19 3.533 5.597 -5.399 1.00 0.00 O ATOM 305 OE2 GLU p 19 2.631 3.607 -5.157 1.00 0.00 O ATOM 0 H GLU p 19 3.131 4.350 -0.302 1.00 0.00 H new ATOM 0 HA GLU p 19 3.916 2.340 -2.243 1.00 0.00 H new ATOM 0 HB2 GLU p 19 4.855 5.199 -2.006 1.00 0.00 H new ATOM 0 HB3 GLU p 19 5.113 4.114 -3.357 1.00 0.00 H new ATOM 0 HG2 GLU p 19 2.296 4.280 -2.743 1.00 0.00 H new ATOM 0 HG3 GLU p 19 2.967 5.887 -2.936 1.00 0.00 H new ATOM 312 N LYS p 20 5.713 3.599 0.181 1.00 0.00 N ATOM 313 CA LYS p 20 6.874 3.478 1.071 1.00 0.00 C ATOM 314 C LYS p 20 6.741 2.214 1.903 1.00 0.00 C ATOM 315 O LYS p 20 7.692 1.779 2.547 1.00 0.00 O ATOM 316 CB LYS p 20 6.977 4.680 1.996 1.00 0.00 C ATOM 317 CG LYS p 20 8.343 5.328 2.017 1.00 0.00 C ATOM 318 CD LYS p 20 9.057 5.077 3.337 1.00 0.00 C ATOM 319 CE LYS p 20 10.421 5.749 3.383 1.00 0.00 C ATOM 320 NZ LYS p 20 11.437 5.014 2.577 1.00 0.00 N ATOM 0 H LYS p 20 5.007 4.249 0.526 1.00 0.00 H new ATOM 0 HA LYS p 20 7.775 3.432 0.460 1.00 0.00 H new ATOM 0 HB2 LYS p 20 6.239 5.423 1.693 1.00 0.00 H new ATOM 0 HB3 LYS p 20 6.719 4.369 3.008 1.00 0.00 H new ATOM 0 HG2 LYS p 20 8.945 4.938 1.196 1.00 0.00 H new ATOM 0 HG3 LYS p 20 8.241 6.401 1.855 1.00 0.00 H new ATOM 0 HD2 LYS p 20 8.443 5.447 4.158 1.00 0.00 H new ATOM 0 HD3 LYS p 20 9.176 4.004 3.487 1.00 0.00 H new ATOM 0 HE2 LYS p 20 10.334 6.770 3.012 1.00 0.00 H new ATOM 0 HE3 LYS p 20 10.758 5.814 4.418 1.00 0.00 H new ATOM 0 HZ1 LYS p 20 12.351 5.507 2.637 1.00 0.00 H new ATOM 0 HZ2 LYS p 20 11.540 4.047 2.947 1.00 0.00 H new ATOM 0 HZ3 LYS p 20 11.130 4.974 1.584 1.00 0.00 H new ATOM 334 N GLU p 21 5.517 1.677 1.896 1.00 0.00 N ATOM 335 CA GLU p 21 5.178 0.426 2.548 1.00 0.00 C ATOM 336 C GLU p 21 5.282 -0.626 1.464 1.00 0.00 C ATOM 337 O GLU p 21 5.622 -1.787 1.708 1.00 0.00 O ATOM 338 CB GLU p 21 3.768 0.499 3.153 1.00 0.00 C ATOM 339 CG GLU p 21 2.981 -0.802 3.145 1.00 0.00 C ATOM 340 CD GLU p 21 2.605 -1.271 4.536 1.00 0.00 C ATOM 341 OE1 GLU p 21 1.527 -0.872 5.026 1.00 0.00 O ATOM 342 OE2 GLU p 21 3.386 -2.040 5.134 1.00 0.00 O ATOM 0 H GLU p 21 4.725 2.115 1.426 1.00 0.00 H new ATOM 0 HA GLU p 21 5.842 0.194 3.380 1.00 0.00 H new ATOM 0 HB2 GLU p 21 3.852 0.846 4.183 1.00 0.00 H new ATOM 0 HB3 GLU p 21 3.197 1.251 2.609 1.00 0.00 H new ATOM 0 HG2 GLU p 21 2.075 -0.669 2.554 1.00 0.00 H new ATOM 0 HG3 GLU p 21 3.571 -1.575 2.653 1.00 0.00 H new ATOM 349 N LEU p 22 4.966 -0.158 0.250 1.00 0.00 N ATOM 350 CA LEU p 22 5.068 -0.951 -0.956 1.00 0.00 C ATOM 351 C LEU p 22 6.532 -1.026 -1.344 1.00 0.00 C ATOM 352 O LEU p 22 7.055 -2.096 -1.657 1.00 0.00 O ATOM 353 CB LEU p 22 4.276 -0.277 -2.072 1.00 0.00 C ATOM 354 CG LEU p 22 3.667 -1.165 -3.152 1.00 0.00 C ATOM 355 CD1 LEU p 22 2.912 -0.275 -4.108 1.00 0.00 C ATOM 356 CD2 LEU p 22 4.733 -1.952 -3.895 1.00 0.00 C ATOM 0 H LEU p 22 4.631 0.792 0.088 1.00 0.00 H new ATOM 0 HA LEU p 22 4.668 -1.952 -0.792 1.00 0.00 H new ATOM 0 HB2 LEU p 22 3.468 0.292 -1.612 1.00 0.00 H new ATOM 0 HB3 LEU p 22 4.933 0.442 -2.561 1.00 0.00 H new ATOM 0 HG LEU p 22 2.999 -1.893 -2.691 1.00 0.00 H new ATOM 0 HD11 LEU p 22 2.464 -0.883 -4.894 1.00 0.00 H new ATOM 0 HD12 LEU p 22 2.128 0.256 -3.568 1.00 0.00 H new ATOM 0 HD13 LEU p 22 3.598 0.446 -4.553 1.00 0.00 H new ATOM 0 HD21 LEU p 22 4.262 -2.573 -4.657 1.00 0.00 H new ATOM 0 HD22 LEU p 22 5.430 -1.262 -4.370 1.00 0.00 H new ATOM 0 HD23 LEU p 22 5.273 -2.586 -3.192 1.00 0.00 H new ATOM 368 N ALA p 23 7.176 0.144 -1.288 1.00 0.00 N ATOM 369 CA ALA p 23 8.610 0.267 -1.603 1.00 0.00 C ATOM 370 C ALA p 23 9.470 -0.264 -0.464 1.00 0.00 C ATOM 371 O ALA p 23 10.654 -0.461 -0.644 1.00 0.00 O ATOM 372 CB ALA p 23 9.006 1.700 -1.941 1.00 0.00 C ATOM 0 H ALA p 23 6.729 1.023 -1.027 1.00 0.00 H new ATOM 0 HA ALA p 23 8.788 -0.341 -2.490 1.00 0.00 H new ATOM 0 HB1 ALA p 23 10.072 1.740 -2.166 1.00 0.00 H new ATOM 0 HB2 ALA p 23 8.439 2.039 -2.808 1.00 0.00 H new ATOM 0 HB3 ALA p 23 8.790 2.347 -1.091 1.00 0.00 H new ATOM 378 N GLN p 24 8.840 -0.494 0.700 1.00 0.00 N ATOM 379 CA GLN p 24 9.493 -1.034 1.895 1.00 0.00 C ATOM 380 C GLN p 24 9.696 -2.540 1.733 1.00 0.00 C ATOM 381 O GLN p 24 10.597 -3.136 2.317 1.00 0.00 O ATOM 382 CB GLN p 24 8.590 -0.742 3.091 1.00 0.00 C ATOM 383 CG GLN p 24 8.718 -1.706 4.249 1.00 0.00 C ATOM 384 CD GLN p 24 9.325 -1.071 5.485 1.00 0.00 C ATOM 385 OE1 GLN p 24 10.540 -1.097 5.677 1.00 0.00 O ATOM 386 NE2 GLN p 24 8.479 -0.490 6.328 1.00 0.00 N ATOM 0 H GLN p 24 7.847 -0.306 0.835 1.00 0.00 H new ATOM 0 HA GLN p 24 10.470 -0.574 2.045 1.00 0.00 H new ATOM 0 HB2 GLN p 24 8.806 0.264 3.451 1.00 0.00 H new ATOM 0 HB3 GLN p 24 7.554 -0.743 2.752 1.00 0.00 H new ATOM 0 HG2 GLN p 24 7.733 -2.100 4.497 1.00 0.00 H new ATOM 0 HG3 GLN p 24 9.333 -2.553 3.943 1.00 0.00 H new ATOM 0 HE21 GLN p 24 7.479 -0.492 6.129 1.00 0.00 H new ATOM 0 HE22 GLN p 24 8.830 -0.042 7.174 1.00 0.00 H new ATOM 395 N LEU p 25 8.816 -3.097 0.917 1.00 0.00 N ATOM 396 CA LEU p 25 8.759 -4.499 0.572 1.00 0.00 C ATOM 397 C LEU p 25 9.790 -4.766 -0.500 1.00 0.00 C ATOM 398 O LEU p 25 10.510 -5.737 -0.446 1.00 0.00 O ATOM 399 CB LEU p 25 7.357 -4.812 0.045 1.00 0.00 C ATOM 400 CG LEU p 25 6.773 -6.186 0.370 1.00 0.00 C ATOM 401 CD1 LEU p 25 5.429 -6.297 -0.307 1.00 0.00 C ATOM 402 CD2 LEU p 25 7.693 -7.309 -0.088 1.00 0.00 C ATOM 0 H LEU p 25 8.087 -2.552 0.457 1.00 0.00 H new ATOM 0 HA LEU p 25 8.966 -5.126 1.439 1.00 0.00 H new ATOM 0 HB2 LEU p 25 6.675 -4.056 0.434 1.00 0.00 H new ATOM 0 HB3 LEU p 25 7.372 -4.701 -1.039 1.00 0.00 H new ATOM 0 HG LEU p 25 6.665 -6.285 1.450 1.00 0.00 H new ATOM 0 HD11 LEU p 25 4.991 -7.271 -0.089 1.00 0.00 H new ATOM 0 HD12 LEU p 25 4.769 -5.512 0.063 1.00 0.00 H new ATOM 0 HD13 LEU p 25 5.554 -6.188 -1.384 1.00 0.00 H new ATOM 0 HD21 LEU p 25 7.244 -8.271 0.160 1.00 0.00 H new ATOM 0 HD22 LEU p 25 7.838 -7.244 -1.166 1.00 0.00 H new ATOM 0 HD23 LEU p 25 8.656 -7.218 0.414 1.00 0.00 H new ATOM 414 N GLU p 26 9.782 -3.869 -1.481 1.00 0.00 N ATOM 415 CA GLU p 26 10.716 -3.824 -2.599 1.00 0.00 C ATOM 416 C GLU p 26 12.043 -3.309 -2.082 1.00 0.00 C ATOM 417 O GLU p 26 13.089 -3.498 -2.673 1.00 0.00 O ATOM 418 CB GLU p 26 10.188 -2.898 -3.689 1.00 0.00 C ATOM 419 CG GLU p 26 8.698 -3.035 -3.939 1.00 0.00 C ATOM 420 CD GLU p 26 8.362 -3.294 -5.395 1.00 0.00 C ATOM 421 OE1 GLU p 26 8.393 -2.332 -6.192 1.00 0.00 O ATOM 422 OE2 GLU p 26 8.068 -4.460 -5.738 1.00 0.00 O ATOM 0 H GLU p 26 9.092 -3.119 -1.519 1.00 0.00 H new ATOM 0 HA GLU p 26 10.836 -4.819 -3.026 1.00 0.00 H new ATOM 0 HB2 GLU p 26 10.408 -1.866 -3.414 1.00 0.00 H new ATOM 0 HB3 GLU p 26 10.723 -3.102 -4.617 1.00 0.00 H new ATOM 0 HG2 GLU p 26 8.307 -3.851 -3.331 1.00 0.00 H new ATOM 0 HG3 GLU p 26 8.195 -2.125 -3.612 1.00 0.00 H new ATOM 429 N LYS p 27 11.953 -2.584 -0.984 1.00 0.00 N ATOM 430 CA LYS p 27 13.154 -2.115 -0.278 1.00 0.00 C ATOM 431 C LYS p 27 13.666 -3.280 0.543 1.00 0.00 C ATOM 432 O LYS p 27 14.835 -3.338 0.931 1.00 0.00 O ATOM 433 CB LYS p 27 12.906 -0.901 0.617 1.00 0.00 C ATOM 434 CG LYS p 27 13.361 0.412 -0.003 1.00 0.00 C ATOM 435 CD LYS p 27 13.677 1.454 1.056 1.00 0.00 C ATOM 436 CE LYS p 27 14.170 2.750 0.432 1.00 0.00 C ATOM 437 NZ LYS p 27 14.520 3.768 1.462 1.00 0.00 N ATOM 0 H LYS p 27 11.072 -2.302 -0.555 1.00 0.00 H new ATOM 0 HA LYS p 27 13.884 -1.780 -1.015 1.00 0.00 H new ATOM 0 HB2 LYS p 27 11.842 -0.837 0.843 1.00 0.00 H new ATOM 0 HB3 LYS p 27 13.425 -1.046 1.564 1.00 0.00 H new ATOM 0 HG2 LYS p 27 14.245 0.238 -0.617 1.00 0.00 H new ATOM 0 HG3 LYS p 27 12.582 0.791 -0.665 1.00 0.00 H new ATOM 0 HD2 LYS p 27 12.785 1.651 1.651 1.00 0.00 H new ATOM 0 HD3 LYS p 27 14.435 1.065 1.736 1.00 0.00 H new ATOM 0 HE2 LYS p 27 15.044 2.545 -0.187 1.00 0.00 H new ATOM 0 HE3 LYS p 27 13.400 3.151 -0.227 1.00 0.00 H new ATOM 0 HZ1 LYS p 27 14.819 4.647 0.994 1.00 0.00 H new ATOM 0 HZ2 LYS p 27 13.689 3.958 2.058 1.00 0.00 H new ATOM 0 HZ3 LYS p 27 15.296 3.410 2.054 1.00 0.00 H new ATOM 451 N GLU p 28 12.734 -4.199 0.813 1.00 0.00 N ATOM 452 CA GLU p 28 13.003 -5.419 1.494 1.00 0.00 C ATOM 453 C GLU p 28 13.310 -6.514 0.470 1.00 0.00 C ATOM 454 O GLU p 28 14.221 -7.326 0.642 1.00 0.00 O ATOM 455 CB GLU p 28 11.744 -5.751 2.257 1.00 0.00 C ATOM 456 CG GLU p 28 11.887 -6.892 3.197 1.00 0.00 C ATOM 457 CD GLU p 28 11.818 -6.484 4.656 1.00 0.00 C ATOM 458 OE1 GLU p 28 12.871 -6.123 5.221 1.00 0.00 O ATOM 459 OE2 GLU p 28 10.712 -6.528 5.233 1.00 0.00 O ATOM 0 H GLU p 28 11.755 -4.090 0.548 1.00 0.00 H new ATOM 0 HA GLU p 28 13.860 -5.338 2.163 1.00 0.00 H new ATOM 0 HB2 GLU p 28 11.428 -4.871 2.817 1.00 0.00 H new ATOM 0 HB3 GLU p 28 10.950 -5.978 1.545 1.00 0.00 H new ATOM 0 HG2 GLU p 28 11.102 -7.621 2.994 1.00 0.00 H new ATOM 0 HG3 GLU p 28 12.839 -7.389 3.011 1.00 0.00 H new ATOM 466 N LEU p 29 12.501 -6.500 -0.582 1.00 0.00 N ATOM 467 CA LEU p 29 12.577 -7.459 -1.674 1.00 0.00 C ATOM 468 C LEU p 29 13.587 -7.091 -2.750 1.00 0.00 C ATOM 469 O LEU p 29 14.445 -7.904 -3.103 1.00 0.00 O ATOM 470 CB LEU p 29 11.201 -7.573 -2.330 1.00 0.00 C ATOM 471 CG LEU p 29 10.707 -8.970 -2.686 1.00 0.00 C ATOM 472 CD1 LEU p 29 9.342 -8.838 -3.317 1.00 0.00 C ATOM 473 CD2 LEU p 29 11.668 -9.665 -3.634 1.00 0.00 C ATOM 0 H LEU p 29 11.761 -5.809 -0.701 1.00 0.00 H new ATOM 0 HA LEU p 29 12.906 -8.401 -1.234 1.00 0.00 H new ATOM 0 HB2 LEU p 29 10.470 -7.118 -1.661 1.00 0.00 H new ATOM 0 HB3 LEU p 29 11.213 -6.977 -3.243 1.00 0.00 H new ATOM 0 HG LEU p 29 10.648 -9.579 -1.784 1.00 0.00 H new ATOM 0 HD11 LEU p 29 8.966 -9.826 -3.581 1.00 0.00 H new ATOM 0 HD12 LEU p 29 8.659 -8.367 -2.611 1.00 0.00 H new ATOM 0 HD13 LEU p 29 9.414 -8.225 -4.216 1.00 0.00 H new ATOM 0 HD21 LEU p 29 11.290 -10.660 -3.871 1.00 0.00 H new ATOM 0 HD22 LEU p 29 11.758 -9.083 -4.551 1.00 0.00 H new ATOM 0 HD23 LEU p 29 12.646 -9.752 -3.161 1.00 0.00 H new ATOM 791 N GLN p 51 3.347 -15.844 -4.258 1.00 0.00 N ATOM 792 CA GLN p 51 2.077 -15.528 -4.930 1.00 0.00 C ATOM 793 C GLN p 51 1.146 -14.690 -4.046 1.00 0.00 C ATOM 794 O GLN p 51 0.566 -13.709 -4.508 1.00 0.00 O ATOM 795 CB GLN p 51 1.367 -16.818 -5.403 1.00 0.00 C ATOM 796 CG GLN p 51 1.211 -17.907 -4.339 1.00 0.00 C ATOM 797 CD GLN p 51 0.509 -19.144 -4.866 1.00 0.00 C ATOM 798 OE1 GLN p 51 -0.716 -19.248 -4.805 1.00 0.00 O ATOM 799 NE2 GLN p 51 1.284 -20.089 -5.386 1.00 0.00 N ATOM 0 HA GLN p 51 2.321 -14.924 -5.804 1.00 0.00 H new ATOM 0 HB2 GLN p 51 0.378 -16.553 -5.775 1.00 0.00 H new ATOM 0 HB3 GLN p 51 1.924 -17.232 -6.244 1.00 0.00 H new ATOM 0 HG2 GLN p 51 2.195 -18.185 -3.963 1.00 0.00 H new ATOM 0 HG3 GLN p 51 0.649 -17.507 -3.495 1.00 0.00 H new ATOM 0 HE21 GLN p 51 2.295 -19.960 -5.416 1.00 0.00 H new ATOM 0 HE22 GLN p 51 0.868 -20.944 -5.756 1.00 0.00 H new ATOM 808 N ALA p 52 1.036 -15.083 -2.769 1.00 0.00 N ATOM 809 CA ALA p 52 0.175 -14.412 -1.774 1.00 0.00 C ATOM 810 C ALA p 52 0.596 -12.952 -1.481 1.00 0.00 C ATOM 811 O ALA p 52 -0.097 -12.235 -0.757 1.00 0.00 O ATOM 812 CB ALA p 52 0.170 -15.240 -0.496 1.00 0.00 C ATOM 0 H ALA p 52 1.545 -15.882 -2.391 1.00 0.00 H new ATOM 0 HA ALA p 52 -0.829 -14.348 -2.193 1.00 0.00 H new ATOM 0 HB1 ALA p 52 -0.462 -14.756 0.248 1.00 0.00 H new ATOM 0 HB2 ALA p 52 -0.218 -16.236 -0.709 1.00 0.00 H new ATOM 0 HB3 ALA p 52 1.187 -15.321 -0.111 1.00 0.00 H new ATOM 818 N LEU p 53 1.734 -12.545 -2.049 1.00 0.00 N ATOM 819 CA LEU p 53 2.313 -11.224 -1.898 1.00 0.00 C ATOM 820 C LEU p 53 1.857 -10.347 -3.055 1.00 0.00 C ATOM 821 O LEU p 53 1.134 -9.371 -2.871 1.00 0.00 O ATOM 822 CB LEU p 53 3.839 -11.384 -1.882 1.00 0.00 C ATOM 823 CG LEU p 53 4.663 -10.203 -1.384 1.00 0.00 C ATOM 824 CD1 LEU p 53 5.962 -10.732 -0.826 1.00 0.00 C ATOM 825 CD2 LEU p 53 4.931 -9.220 -2.516 1.00 0.00 C ATOM 0 H LEU p 53 2.292 -13.155 -2.647 1.00 0.00 H new ATOM 0 HA LEU p 53 1.992 -10.748 -0.971 1.00 0.00 H new ATOM 0 HB2 LEU p 53 4.081 -12.248 -1.263 1.00 0.00 H new ATOM 0 HB3 LEU p 53 4.164 -11.618 -2.896 1.00 0.00 H new ATOM 0 HG LEU p 53 4.113 -9.671 -0.608 1.00 0.00 H new ATOM 0 HD11 LEU p 53 6.567 -9.901 -0.464 1.00 0.00 H new ATOM 0 HD12 LEU p 53 5.753 -11.415 -0.003 1.00 0.00 H new ATOM 0 HD13 LEU p 53 6.505 -11.262 -1.608 1.00 0.00 H new ATOM 0 HD21 LEU p 53 5.521 -8.384 -2.140 1.00 0.00 H new ATOM 0 HD22 LEU p 53 5.481 -9.723 -3.312 1.00 0.00 H new ATOM 0 HD23 LEU p 53 3.984 -8.849 -2.907 1.00 0.00 H new ATOM 837 N LYS p 54 2.285 -10.751 -4.255 1.00 0.00 N ATOM 838 CA LYS p 54 1.940 -10.076 -5.522 1.00 0.00 C ATOM 839 C LYS p 54 0.422 -10.076 -5.757 1.00 0.00 C ATOM 840 O LYS p 54 -0.084 -9.368 -6.624 1.00 0.00 O ATOM 841 CB LYS p 54 2.650 -10.760 -6.701 1.00 0.00 C ATOM 842 CG LYS p 54 4.158 -10.529 -6.744 1.00 0.00 C ATOM 843 CD LYS p 54 4.515 -9.233 -7.464 1.00 0.00 C ATOM 844 CE LYS p 54 6.017 -9.002 -7.480 1.00 0.00 C ATOM 845 NZ LYS p 54 6.375 -7.728 -8.161 1.00 0.00 N ATOM 0 H LYS p 54 2.888 -11.564 -4.381 1.00 0.00 H new ATOM 0 HA LYS p 54 2.276 -9.041 -5.451 1.00 0.00 H new ATOM 0 HB2 LYS p 54 2.459 -11.832 -6.652 1.00 0.00 H new ATOM 0 HB3 LYS p 54 2.212 -10.400 -7.632 1.00 0.00 H new ATOM 0 HG2 LYS p 54 4.550 -10.499 -5.727 1.00 0.00 H new ATOM 0 HG3 LYS p 54 4.639 -11.368 -7.247 1.00 0.00 H new ATOM 0 HD2 LYS p 54 4.140 -9.268 -8.487 1.00 0.00 H new ATOM 0 HD3 LYS p 54 4.022 -8.394 -6.973 1.00 0.00 H new ATOM 0 HE2 LYS p 54 6.393 -8.985 -6.457 1.00 0.00 H new ATOM 0 HE3 LYS p 54 6.507 -9.834 -7.986 1.00 0.00 H new ATOM 0 HZ1 LYS p 54 7.408 -7.607 -8.151 1.00 0.00 H new ATOM 0 HZ2 LYS p 54 6.039 -7.754 -9.145 1.00 0.00 H new ATOM 0 HZ3 LYS p 54 5.928 -6.931 -7.664 1.00 0.00 H new ATOM 859 N LYS p 55 -0.266 -10.901 -4.960 1.00 0.00 N ATOM 860 CA LYS p 55 -1.705 -11.053 -4.974 1.00 0.00 C ATOM 861 C LYS p 55 -2.308 -10.164 -3.909 1.00 0.00 C ATOM 862 O LYS p 55 -3.365 -9.571 -4.115 1.00 0.00 O ATOM 863 CB LYS p 55 -2.092 -12.512 -4.740 1.00 0.00 C ATOM 864 CG LYS p 55 -2.260 -13.323 -6.020 1.00 0.00 C ATOM 865 CD LYS p 55 -3.677 -13.231 -6.574 1.00 0.00 C ATOM 866 CE LYS p 55 -3.833 -14.048 -7.846 1.00 0.00 C ATOM 867 NZ LYS p 55 -5.210 -13.949 -8.403 1.00 0.00 N ATOM 0 H LYS p 55 0.189 -11.496 -4.268 1.00 0.00 H new ATOM 0 HA LYS p 55 -2.090 -10.758 -5.950 1.00 0.00 H new ATOM 0 HB2 LYS p 55 -1.330 -12.984 -4.120 1.00 0.00 H new ATOM 0 HB3 LYS p 55 -3.025 -12.544 -4.177 1.00 0.00 H new ATOM 0 HG2 LYS p 55 -1.554 -12.967 -6.770 1.00 0.00 H new ATOM 0 HG3 LYS p 55 -2.015 -14.367 -5.822 1.00 0.00 H new ATOM 0 HD2 LYS p 55 -4.385 -13.584 -5.825 1.00 0.00 H new ATOM 0 HD3 LYS p 55 -3.922 -12.189 -6.778 1.00 0.00 H new ATOM 0 HE2 LYS p 55 -3.115 -13.703 -8.590 1.00 0.00 H new ATOM 0 HE3 LYS p 55 -3.600 -15.092 -7.638 1.00 0.00 H new ATOM 0 HZ1 LYS p 55 -5.276 -14.520 -9.270 1.00 0.00 H new ATOM 0 HZ2 LYS p 55 -5.894 -14.302 -7.703 1.00 0.00 H new ATOM 0 HZ3 LYS p 55 -5.424 -12.956 -8.626 1.00 0.00 H new ATOM 881 N LYS p 56 -1.615 -10.093 -2.756 1.00 0.00 N ATOM 882 CA LYS p 56 -2.043 -9.216 -1.637 1.00 0.00 C ATOM 883 C LYS p 56 -1.721 -7.756 -1.969 1.00 0.00 C ATOM 884 O LYS p 56 -2.190 -6.822 -1.320 1.00 0.00 O ATOM 885 CB LYS p 56 -1.351 -9.603 -0.333 1.00 0.00 C ATOM 886 CG LYS p 56 -2.208 -10.453 0.597 1.00 0.00 C ATOM 887 CD LYS p 56 -3.199 -9.607 1.393 1.00 0.00 C ATOM 888 CE LYS p 56 -4.074 -10.468 2.288 1.00 0.00 C ATOM 889 NZ LYS p 56 -5.101 -9.661 3.002 1.00 0.00 N ATOM 0 H LYS p 56 -0.764 -10.625 -2.571 1.00 0.00 H new ATOM 0 HA LYS p 56 -3.118 -9.339 -1.506 1.00 0.00 H new ATOM 0 HB2 LYS p 56 -0.437 -10.149 -0.567 1.00 0.00 H new ATOM 0 HB3 LYS p 56 -1.055 -8.695 0.192 1.00 0.00 H new ATOM 0 HG2 LYS p 56 -2.752 -11.195 0.012 1.00 0.00 H new ATOM 0 HG3 LYS p 56 -1.564 -11.000 1.285 1.00 0.00 H new ATOM 0 HD2 LYS p 56 -2.655 -8.884 2.001 1.00 0.00 H new ATOM 0 HD3 LYS p 56 -3.827 -9.039 0.707 1.00 0.00 H new ATOM 0 HE2 LYS p 56 -4.566 -11.233 1.687 1.00 0.00 H new ATOM 0 HE3 LYS p 56 -3.450 -10.987 3.015 1.00 0.00 H new ATOM 0 HZ1 LYS p 56 -5.677 -10.285 3.602 1.00 0.00 H new ATOM 0 HZ2 LYS p 56 -4.631 -8.948 3.595 1.00 0.00 H new ATOM 0 HZ3 LYS p 56 -5.713 -9.186 2.308 1.00 0.00 H new ATOM 903 N LEU p 57 -0.899 -7.625 -3.003 1.00 0.00 N ATOM 904 CA LEU p 57 -0.441 -6.378 -3.576 1.00 0.00 C ATOM 905 C LEU p 57 -1.384 -6.049 -4.691 1.00 0.00 C ATOM 906 O LEU p 57 -1.818 -4.916 -4.851 1.00 0.00 O ATOM 907 CB LEU p 57 0.964 -6.552 -4.137 1.00 0.00 C ATOM 908 CG LEU p 57 2.123 -6.031 -3.294 1.00 0.00 C ATOM 909 CD1 LEU p 57 2.228 -6.773 -1.967 1.00 0.00 C ATOM 910 CD2 LEU p 57 3.390 -6.193 -4.098 1.00 0.00 C ATOM 0 H LEU p 57 -0.516 -8.437 -3.488 1.00 0.00 H new ATOM 0 HA LEU p 57 -0.416 -5.587 -2.826 1.00 0.00 H new ATOM 0 HB2 LEU p 57 1.127 -7.615 -4.314 1.00 0.00 H new ATOM 0 HB3 LEU p 57 1.003 -6.057 -5.107 1.00 0.00 H new ATOM 0 HG LEU p 57 1.957 -4.981 -3.053 1.00 0.00 H new ATOM 0 HD11 LEU p 57 3.065 -6.375 -1.393 1.00 0.00 H new ATOM 0 HD12 LEU p 57 1.305 -6.641 -1.402 1.00 0.00 H new ATOM 0 HD13 LEU p 57 2.389 -7.834 -2.155 1.00 0.00 H new ATOM 0 HD21 LEU p 57 4.238 -5.828 -3.519 1.00 0.00 H new ATOM 0 HD22 LEU p 57 3.539 -7.247 -4.334 1.00 0.00 H new ATOM 0 HD23 LEU p 57 3.310 -5.622 -5.023 1.00 0.00 H new ATOM 922 N ALA p 58 -1.675 -7.104 -5.468 1.00 0.00 N ATOM 923 CA ALA p 58 -2.649 -7.024 -6.581 1.00 0.00 C ATOM 924 C ALA p 58 -4.057 -6.764 -6.031 1.00 0.00 C ATOM 925 O ALA p 58 -4.961 -6.343 -6.758 1.00 0.00 O ATOM 926 CB ALA p 58 -2.644 -8.294 -7.417 1.00 0.00 C ATOM 0 H ALA p 58 -1.253 -8.025 -5.350 1.00 0.00 H new ATOM 0 HA ALA p 58 -2.353 -6.196 -7.225 1.00 0.00 H new ATOM 0 HB1 ALA p 58 -3.370 -8.201 -8.225 1.00 0.00 H new ATOM 0 HB2 ALA p 58 -1.651 -8.448 -7.838 1.00 0.00 H new ATOM 0 HB3 ALA p 58 -2.908 -9.144 -6.788 1.00 0.00 H new ATOM 932 N GLN p 59 -4.202 -7.034 -4.728 1.00 0.00 N ATOM 933 CA GLN p 59 -5.416 -6.831 -3.980 1.00 0.00 C ATOM 934 C GLN p 59 -5.348 -5.461 -3.307 1.00 0.00 C ATOM 935 O GLN p 59 -6.365 -4.839 -3.036 1.00 0.00 O ATOM 936 CB GLN p 59 -5.514 -7.956 -2.945 1.00 0.00 C ATOM 937 CG GLN p 59 -6.442 -7.674 -1.788 1.00 0.00 C ATOM 938 CD GLN p 59 -7.541 -8.708 -1.635 1.00 0.00 C ATOM 939 OE1 GLN p 59 -7.373 -9.711 -0.942 1.00 0.00 O ATOM 940 NE2 GLN p 59 -8.675 -8.468 -2.283 1.00 0.00 N ATOM 0 H GLN p 59 -3.443 -7.412 -4.161 1.00 0.00 H new ATOM 0 HA GLN p 59 -6.298 -6.854 -4.620 1.00 0.00 H new ATOM 0 HB2 GLN p 59 -5.848 -8.864 -3.447 1.00 0.00 H new ATOM 0 HB3 GLN p 59 -4.517 -8.157 -2.552 1.00 0.00 H new ATOM 0 HG2 GLN p 59 -5.861 -7.633 -0.867 1.00 0.00 H new ATOM 0 HG3 GLN p 59 -6.894 -6.691 -1.925 1.00 0.00 H new ATOM 0 HE21 GLN p 59 -8.771 -7.623 -2.847 1.00 0.00 H new ATOM 0 HE22 GLN p 59 -9.450 -9.128 -2.217 1.00 0.00 H new ATOM 949 N LEU p 60 -4.108 -5.038 -3.049 1.00 0.00 N ATOM 950 CA LEU p 60 -3.788 -3.750 -2.421 1.00 0.00 C ATOM 951 C LEU p 60 -3.686 -2.653 -3.459 1.00 0.00 C ATOM 952 O LEU p 60 -3.613 -1.464 -3.161 1.00 0.00 O ATOM 953 CB LEU p 60 -2.470 -3.861 -1.662 1.00 0.00 C ATOM 954 CG LEU p 60 -2.572 -3.588 -0.165 1.00 0.00 C ATOM 955 CD1 LEU p 60 -3.181 -2.218 0.062 1.00 0.00 C ATOM 956 CD2 LEU p 60 -3.407 -4.677 0.486 1.00 0.00 C ATOM 0 H LEU p 60 -3.281 -5.591 -3.275 1.00 0.00 H new ATOM 0 HA LEU p 60 -4.591 -3.497 -1.728 1.00 0.00 H new ATOM 0 HB2 LEU p 60 -2.065 -4.863 -1.808 1.00 0.00 H new ATOM 0 HB3 LEU p 60 -1.756 -3.162 -2.097 1.00 0.00 H new ATOM 0 HG LEU p 60 -1.580 -3.596 0.287 1.00 0.00 H new ATOM 0 HD11 LEU p 60 -3.253 -2.025 1.132 1.00 0.00 H new ATOM 0 HD12 LEU p 60 -2.552 -1.459 -0.402 1.00 0.00 H new ATOM 0 HD13 LEU p 60 -4.177 -2.184 -0.381 1.00 0.00 H new ATOM 0 HD21 LEU p 60 -3.483 -4.486 1.557 1.00 0.00 H new ATOM 0 HD22 LEU p 60 -4.405 -4.682 0.047 1.00 0.00 H new ATOM 0 HD23 LEU p 60 -2.934 -5.645 0.323 1.00 0.00 H new ATOM 968 N LYS p 61 -3.667 -3.143 -4.665 1.00 0.00 N ATOM 969 CA LYS p 61 -3.615 -2.396 -5.905 1.00 0.00 C ATOM 970 C LYS p 61 -5.040 -2.229 -6.370 1.00 0.00 C ATOM 971 O LYS p 61 -5.420 -1.229 -6.984 1.00 0.00 O ATOM 972 CB LYS p 61 -2.796 -3.162 -6.939 1.00 0.00 C ATOM 973 CG LYS p 61 -1.336 -2.754 -6.988 1.00 0.00 C ATOM 974 CD LYS p 61 -0.671 -3.219 -8.273 1.00 0.00 C ATOM 975 CE LYS p 61 0.787 -2.794 -8.331 1.00 0.00 C ATOM 976 NZ LYS p 61 1.445 -3.242 -9.590 1.00 0.00 N ATOM 0 H LYS p 61 -3.689 -4.150 -4.828 1.00 0.00 H new ATOM 0 HA LYS p 61 -3.140 -1.425 -5.766 1.00 0.00 H new ATOM 0 HB2 LYS p 61 -2.859 -4.228 -6.721 1.00 0.00 H new ATOM 0 HB3 LYS p 61 -3.239 -3.012 -7.924 1.00 0.00 H new ATOM 0 HG2 LYS p 61 -1.257 -1.670 -6.908 1.00 0.00 H new ATOM 0 HG3 LYS p 61 -0.810 -3.176 -6.132 1.00 0.00 H new ATOM 0 HD2 LYS p 61 -0.738 -4.304 -8.346 1.00 0.00 H new ATOM 0 HD3 LYS p 61 -1.205 -2.808 -9.130 1.00 0.00 H new ATOM 0 HE2 LYS p 61 0.852 -1.709 -8.253 1.00 0.00 H new ATOM 0 HE3 LYS p 61 1.320 -3.208 -7.475 1.00 0.00 H new ATOM 0 HZ1 LYS p 61 2.438 -2.933 -9.592 1.00 0.00 H new ATOM 0 HZ2 LYS p 61 1.405 -4.279 -9.652 1.00 0.00 H new ATOM 0 HZ3 LYS p 61 0.952 -2.827 -10.406 1.00 0.00 H new ATOM 990 N TRP p 62 -5.812 -3.270 -6.045 1.00 0.00 N ATOM 991 CA TRP p 62 -7.238 -3.313 -6.289 1.00 0.00 C ATOM 992 C TRP p 62 -7.900 -2.552 -5.160 1.00 0.00 C ATOM 993 O TRP p 62 -8.984 -1.988 -5.320 1.00 0.00 O ATOM 994 CB TRP p 62 -7.748 -4.752 -6.343 1.00 0.00 C ATOM 995 CG TRP p 62 -8.526 -5.059 -7.589 1.00 0.00 C ATOM 996 CD1 TRP p 62 -8.048 -5.655 -8.720 1.00 0.00 C ATOM 997 CD2 TRP p 62 -9.916 -4.783 -7.836 1.00 0.00 C ATOM 998 NE1 TRP p 62 -9.049 -5.770 -9.655 1.00 0.00 N ATOM 999 CE2 TRP p 62 -10.203 -5.243 -9.137 1.00 0.00 C ATOM 1000 CE3 TRP p 62 -10.946 -4.194 -7.089 1.00 0.00 C ATOM 1001 CZ2 TRP p 62 -11.472 -5.132 -9.704 1.00 0.00 C ATOM 1002 CZ3 TRP p 62 -12.203 -4.086 -7.655 1.00 0.00 C ATOM 1003 CH2 TRP p 62 -12.456 -4.554 -8.950 1.00 0.00 C ATOM 0 H TRP p 62 -5.449 -4.113 -5.599 1.00 0.00 H new ATOM 0 HA TRP p 62 -7.473 -2.863 -7.254 1.00 0.00 H new ATOM 0 HB2 TRP p 62 -6.900 -5.434 -6.275 1.00 0.00 H new ATOM 0 HB3 TRP p 62 -8.378 -4.940 -5.474 1.00 0.00 H new ATOM 0 HD1 TRP p 62 -7.030 -5.988 -8.860 1.00 0.00 H new ATOM 0 HE1 TRP p 62 -8.949 -6.181 -10.583 1.00 0.00 H new ATOM 0 HE3 TRP p 62 -10.761 -3.831 -6.089 1.00 0.00 H new ATOM 0 HZ2 TRP p 62 -11.671 -5.490 -10.703 1.00 0.00 H new ATOM 0 HZ3 TRP p 62 -13.003 -3.633 -7.088 1.00 0.00 H new ATOM 0 HH2 TRP p 62 -13.449 -4.457 -9.362 1.00 0.00 H new ATOM 1014 N LYS p 63 -7.207 -2.557 -4.004 1.00 0.00 N ATOM 1015 CA LYS p 63 -7.660 -1.803 -2.827 1.00 0.00 C ATOM 1016 C LYS p 63 -7.152 -0.357 -2.885 1.00 0.00 C ATOM 1017 O LYS p 63 -7.618 0.496 -2.133 1.00 0.00 O ATOM 1018 CB LYS p 63 -7.214 -2.459 -1.523 1.00 0.00 C ATOM 1019 CG LYS p 63 -8.148 -3.559 -1.044 1.00 0.00 C ATOM 1020 CD LYS p 63 -7.774 -4.039 0.349 1.00 0.00 C ATOM 1021 CE LYS p 63 -8.682 -5.167 0.812 1.00 0.00 C ATOM 1022 NZ LYS p 63 -8.320 -5.648 2.174 1.00 0.00 N ATOM 0 H LYS p 63 -6.338 -3.072 -3.864 1.00 0.00 H new ATOM 0 HA LYS p 63 -8.750 -1.803 -2.845 1.00 0.00 H new ATOM 0 HB2 LYS p 63 -6.216 -2.875 -1.658 1.00 0.00 H new ATOM 0 HB3 LYS p 63 -7.139 -1.695 -0.749 1.00 0.00 H new ATOM 0 HG2 LYS p 63 -9.174 -3.191 -1.040 1.00 0.00 H new ATOM 0 HG3 LYS p 63 -8.113 -4.397 -1.740 1.00 0.00 H new ATOM 0 HD2 LYS p 63 -6.739 -4.380 0.352 1.00 0.00 H new ATOM 0 HD3 LYS p 63 -7.838 -3.208 1.051 1.00 0.00 H new ATOM 0 HE2 LYS p 63 -9.717 -4.824 0.811 1.00 0.00 H new ATOM 0 HE3 LYS p 63 -8.621 -5.995 0.106 1.00 0.00 H new ATOM 0 HZ1 LYS p 63 -8.963 -6.417 2.453 1.00 0.00 H new ATOM 0 HZ2 LYS p 63 -7.341 -5.999 2.169 1.00 0.00 H new ATOM 0 HZ3 LYS p 63 -8.403 -4.864 2.852 1.00 0.00 H new ATOM 1036 N LEU p 64 -6.176 -0.118 -3.778 1.00 0.00 N ATOM 1037 CA LEU p 64 -5.581 1.198 -4.009 1.00 0.00 C ATOM 1038 C LEU p 64 -6.367 1.947 -5.078 1.00 0.00 C ATOM 1039 O LEU p 64 -6.322 3.165 -5.185 1.00 0.00 O ATOM 1040 CB LEU p 64 -4.105 1.009 -4.415 1.00 0.00 C ATOM 1041 CG LEU p 64 -3.638 1.640 -5.739 1.00 0.00 C ATOM 1042 CD1 LEU p 64 -3.324 3.099 -5.528 1.00 0.00 C ATOM 1043 CD2 LEU p 64 -2.429 0.912 -6.301 1.00 0.00 C ATOM 0 H LEU p 64 -5.776 -0.849 -4.366 1.00 0.00 H new ATOM 0 HA LEU p 64 -5.620 1.797 -3.099 1.00 0.00 H new ATOM 0 HB2 LEU p 64 -3.484 1.411 -3.615 1.00 0.00 H new ATOM 0 HB3 LEU p 64 -3.906 -0.061 -4.466 1.00 0.00 H new ATOM 0 HG LEU p 64 -4.446 1.549 -6.465 1.00 0.00 H new ATOM 0 HD11 LEU p 64 -2.994 3.540 -6.469 1.00 0.00 H new ATOM 0 HD12 LEU p 64 -4.217 3.617 -5.178 1.00 0.00 H new ATOM 0 HD13 LEU p 64 -2.533 3.197 -4.784 1.00 0.00 H new ATOM 0 HD21 LEU p 64 -2.124 1.382 -7.236 1.00 0.00 H new ATOM 0 HD22 LEU p 64 -1.609 0.962 -5.585 1.00 0.00 H new ATOM 0 HD23 LEU p 64 -2.686 -0.131 -6.486 1.00 0.00 H new ATOM 1055 N GLN p 65 -7.040 1.139 -5.851 1.00 0.00 N ATOM 1056 CA GLN p 65 -7.916 1.508 -6.937 1.00 0.00 C ATOM 1057 C GLN p 65 -9.302 1.645 -6.327 1.00 0.00 C ATOM 1058 O GLN p 65 -10.203 2.255 -6.888 1.00 0.00 O ATOM 1059 CB GLN p 65 -7.850 0.392 -7.990 1.00 0.00 C ATOM 1060 CG GLN p 65 -9.092 0.244 -8.845 1.00 0.00 C ATOM 1061 CD GLN p 65 -8.786 0.164 -10.328 1.00 0.00 C ATOM 1062 OE1 GLN p 65 -8.736 1.180 -11.020 1.00 0.00 O ATOM 1063 NE2 GLN p 65 -8.577 -1.051 -10.824 1.00 0.00 N ATOM 0 H GLN p 65 -6.988 0.127 -5.731 1.00 0.00 H new ATOM 0 HA GLN p 65 -7.642 2.442 -7.427 1.00 0.00 H new ATOM 0 HB2 GLN p 65 -6.998 0.579 -8.643 1.00 0.00 H new ATOM 0 HB3 GLN p 65 -7.661 -0.554 -7.483 1.00 0.00 H new ATOM 0 HG2 GLN p 65 -9.630 -0.654 -8.542 1.00 0.00 H new ATOM 0 HG3 GLN p 65 -9.755 1.090 -8.662 1.00 0.00 H new ATOM 0 HE21 GLN p 65 -8.628 -1.867 -10.214 1.00 0.00 H new ATOM 0 HE22 GLN p 65 -8.365 -1.168 -11.815 1.00 0.00 H new ATOM 1072 N ALA p 66 -9.397 1.029 -5.150 1.00 0.00 N ATOM 1073 CA ALA p 66 -10.580 1.031 -4.302 1.00 0.00 C ATOM 1074 C ALA p 66 -10.415 2.152 -3.301 1.00 0.00 C ATOM 1075 O ALA p 66 -11.389 2.670 -2.763 1.00 0.00 O ATOM 1076 CB ALA p 66 -10.774 -0.299 -3.590 1.00 0.00 C ATOM 0 H ALA p 66 -8.624 0.497 -4.750 1.00 0.00 H new ATOM 0 HA ALA p 66 -11.469 1.181 -4.915 1.00 0.00 H new ATOM 0 HB1 ALA p 66 -11.668 -0.252 -2.969 1.00 0.00 H new ATOM 0 HB2 ALA p 66 -10.886 -1.094 -4.328 1.00 0.00 H new ATOM 0 HB3 ALA p 66 -9.907 -0.506 -2.963 1.00 0.00 H new ATOM 1082 N LEU p 67 -9.131 2.490 -3.065 1.00 0.00 N ATOM 1083 CA LEU p 67 -8.731 3.589 -2.212 1.00 0.00 C ATOM 1084 C LEU p 67 -8.763 4.829 -3.081 1.00 0.00 C ATOM 1085 O LEU p 67 -9.122 5.906 -2.634 1.00 0.00 O ATOM 1086 CB LEU p 67 -7.324 3.342 -1.617 1.00 0.00 C ATOM 1087 CG LEU p 67 -6.187 4.266 -2.111 1.00 0.00 C ATOM 1088 CD1 LEU p 67 -6.266 5.622 -1.444 1.00 0.00 C ATOM 1089 CD2 LEU p 67 -4.827 3.650 -1.888 1.00 0.00 C ATOM 0 H LEU p 67 -8.343 1.989 -3.476 1.00 0.00 H new ATOM 0 HA LEU p 67 -9.401 3.699 -1.359 1.00 0.00 H new ATOM 0 HB2 LEU p 67 -7.392 3.436 -0.533 1.00 0.00 H new ATOM 0 HB3 LEU p 67 -7.041 2.311 -1.830 1.00 0.00 H new ATOM 0 HG LEU p 67 -6.321 4.396 -3.185 1.00 0.00 H new ATOM 0 HD11 LEU p 67 -5.456 6.254 -1.808 1.00 0.00 H new ATOM 0 HD12 LEU p 67 -7.223 6.088 -1.679 1.00 0.00 H new ATOM 0 HD13 LEU p 67 -6.176 5.502 -0.364 1.00 0.00 H new ATOM 0 HD21 LEU p 67 -4.056 4.331 -2.249 1.00 0.00 H new ATOM 0 HD22 LEU p 67 -4.681 3.467 -0.824 1.00 0.00 H new ATOM 0 HD23 LEU p 67 -4.761 2.707 -2.431 1.00 0.00 H new ATOM 1101 N LYS p 68 -8.298 4.629 -4.322 1.00 0.00 N ATOM 1102 CA LYS p 68 -8.314 5.660 -5.364 1.00 0.00 C ATOM 1103 C LYS p 68 -9.750 5.891 -5.777 1.00 0.00 C ATOM 1104 O LYS p 68 -10.127 6.997 -6.175 1.00 0.00 O ATOM 1105 CB LYS p 68 -7.467 5.285 -6.577 1.00 0.00 C ATOM 1106 CG LYS p 68 -6.084 5.915 -6.569 1.00 0.00 C ATOM 1107 CD LYS p 68 -5.414 5.812 -7.931 1.00 0.00 C ATOM 1108 CE LYS p 68 -4.098 6.579 -7.979 1.00 0.00 C ATOM 1109 NZ LYS p 68 -3.027 5.916 -7.180 1.00 0.00 N ATOM 0 H LYS p 68 -7.899 3.743 -4.631 1.00 0.00 H new ATOM 0 HA LYS p 68 -7.875 6.570 -4.956 1.00 0.00 H new ATOM 0 HB2 LYS p 68 -7.363 4.201 -6.617 1.00 0.00 H new ATOM 0 HB3 LYS p 68 -7.991 5.588 -7.484 1.00 0.00 H new ATOM 0 HG2 LYS p 68 -6.163 6.963 -6.280 1.00 0.00 H new ATOM 0 HG3 LYS p 68 -5.464 5.423 -5.820 1.00 0.00 H new ATOM 0 HD2 LYS p 68 -5.231 4.764 -8.167 1.00 0.00 H new ATOM 0 HD3 LYS p 68 -6.087 6.198 -8.696 1.00 0.00 H new ATOM 0 HE2 LYS p 68 -3.771 6.671 -9.015 1.00 0.00 H new ATOM 0 HE3 LYS p 68 -4.255 7.590 -7.603 1.00 0.00 H new ATOM 0 HZ1 LYS p 68 -2.258 6.593 -7.001 1.00 0.00 H new ATOM 0 HZ2 LYS p 68 -3.421 5.591 -6.274 1.00 0.00 H new ATOM 0 HZ3 LYS p 68 -2.655 5.101 -7.708 1.00 0.00 H new ATOM 1123 N LYS p 69 -10.543 4.809 -5.691 1.00 0.00 N ATOM 1124 CA LYS p 69 -11.971 4.886 -5.938 1.00 0.00 C ATOM 1125 C LYS p 69 -12.616 5.490 -4.702 1.00 0.00 C ATOM 1126 O LYS p 69 -13.656 6.127 -4.784 1.00 0.00 O ATOM 1127 CB LYS p 69 -12.569 3.518 -6.234 1.00 0.00 C ATOM 1128 CG LYS p 69 -12.914 3.308 -7.701 1.00 0.00 C ATOM 1129 CD LYS p 69 -13.958 2.212 -7.890 1.00 0.00 C ATOM 1130 CE LYS p 69 -15.371 2.778 -7.957 1.00 0.00 C ATOM 1131 NZ LYS p 69 -16.395 1.700 -8.047 1.00 0.00 N ATOM 0 H LYS p 69 -10.208 3.876 -5.451 1.00 0.00 H new ATOM 0 HA LYS p 69 -12.157 5.503 -6.817 1.00 0.00 H new ATOM 0 HB2 LYS p 69 -11.864 2.747 -5.921 1.00 0.00 H new ATOM 0 HB3 LYS p 69 -13.470 3.388 -5.635 1.00 0.00 H new ATOM 0 HG2 LYS p 69 -13.287 4.241 -8.123 1.00 0.00 H new ATOM 0 HG3 LYS p 69 -12.011 3.047 -8.252 1.00 0.00 H new ATOM 0 HD2 LYS p 69 -13.744 1.661 -8.806 1.00 0.00 H new ATOM 0 HD3 LYS p 69 -13.891 1.501 -7.067 1.00 0.00 H new ATOM 0 HE2 LYS p 69 -15.561 3.387 -7.073 1.00 0.00 H new ATOM 0 HE3 LYS p 69 -15.459 3.436 -8.822 1.00 0.00 H new ATOM 0 HZ1 LYS p 69 -17.343 2.125 -8.091 1.00 0.00 H new ATOM 0 HZ2 LYS p 69 -16.229 1.134 -8.904 1.00 0.00 H new ATOM 0 HZ3 LYS p 69 -16.328 1.087 -7.209 1.00 0.00 H new ATOM 1145 N LYS p 70 -11.925 5.280 -3.563 1.00 0.00 N ATOM 1146 CA LYS p 70 -12.303 5.816 -2.259 1.00 0.00 C ATOM 1147 C LYS p 70 -11.734 7.213 -2.144 1.00 0.00 C ATOM 1148 O LYS p 70 -12.150 7.997 -1.301 1.00 0.00 O ATOM 1149 CB LYS p 70 -11.777 4.936 -1.132 1.00 0.00 C ATOM 1150 CG LYS p 70 -12.858 4.361 -0.230 1.00 0.00 C ATOM 1151 CD LYS p 70 -12.826 4.993 1.151 1.00 0.00 C ATOM 1152 CE LYS p 70 -13.900 4.410 2.055 1.00 0.00 C ATOM 1153 NZ LYS p 70 -13.871 5.017 3.415 1.00 0.00 N ATOM 0 H LYS p 70 -11.073 4.720 -3.534 1.00 0.00 H new ATOM 0 HA LYS p 70 -13.389 5.840 -2.173 1.00 0.00 H new ATOM 0 HB2 LYS p 70 -11.206 4.114 -1.565 1.00 0.00 H new ATOM 0 HB3 LYS p 70 -11.085 5.519 -0.524 1.00 0.00 H new ATOM 0 HG2 LYS p 70 -13.836 4.524 -0.683 1.00 0.00 H new ATOM 0 HG3 LYS p 70 -12.724 3.283 -0.141 1.00 0.00 H new ATOM 0 HD2 LYS p 70 -11.846 4.837 1.601 1.00 0.00 H new ATOM 0 HD3 LYS p 70 -12.968 6.070 1.063 1.00 0.00 H new ATOM 0 HE2 LYS p 70 -14.880 4.572 1.606 1.00 0.00 H new ATOM 0 HE3 LYS p 70 -13.761 3.332 2.136 1.00 0.00 H new ATOM 0 HZ1 LYS p 70 -14.618 4.593 4.001 1.00 0.00 H new ATOM 0 HZ2 LYS p 70 -12.945 4.841 3.854 1.00 0.00 H new ATOM 0 HZ3 LYS p 70 -14.029 6.042 3.341 1.00 0.00 H new ATOM 1167 N ASN p 71 -10.723 7.463 -2.995 1.00 0.00 N ATOM 1168 CA ASN p 71 -10.096 8.775 -3.140 1.00 0.00 C ATOM 1169 C ASN p 71 -10.932 9.529 -4.167 1.00 0.00 C ATOM 1170 O ASN p 71 -10.801 10.734 -4.349 1.00 0.00 O ATOM 1171 CB ASN p 71 -8.640 8.668 -3.608 1.00 0.00 C ATOM 1172 CG ASN p 71 -7.821 9.897 -3.252 1.00 0.00 C ATOM 1173 OD1 ASN p 71 -7.235 9.976 -2.173 1.00 0.00 O ATOM 1174 ND2 ASN p 71 -7.776 10.862 -4.163 1.00 0.00 N ATOM 0 H ASN p 71 -10.320 6.750 -3.603 1.00 0.00 H new ATOM 0 HA ASN p 71 -10.066 9.291 -2.180 1.00 0.00 H new ATOM 0 HB2 ASN p 71 -8.181 7.787 -3.158 1.00 0.00 H new ATOM 0 HB3 ASN p 71 -8.619 8.522 -4.688 1.00 0.00 H new ATOM 0 HD21 ASN p 71 -7.240 11.711 -3.981 1.00 0.00 H new ATOM 0 HD22 ASN p 71 -8.277 10.755 -5.045 1.00 0.00 H new ATOM 1181 N ALA p 72 -11.765 8.722 -4.847 1.00 0.00 N ATOM 1182 CA ALA p 72 -12.739 9.153 -5.833 1.00 0.00 C ATOM 1183 C ALA p 72 -14.049 9.347 -5.098 1.00 0.00 C ATOM 1184 O ALA p 72 -14.927 10.080 -5.541 1.00 0.00 O ATOM 1185 CB ALA p 72 -12.888 8.134 -6.952 1.00 0.00 C ATOM 0 H ALA p 72 -11.768 7.711 -4.710 1.00 0.00 H new ATOM 0 HA ALA p 72 -12.416 10.080 -6.307 1.00 0.00 H new ATOM 0 HB1 ALA p 72 -13.625 8.489 -7.672 1.00 0.00 H new ATOM 0 HB2 ALA p 72 -11.929 7.999 -7.451 1.00 0.00 H new ATOM 0 HB3 ALA p 72 -13.217 7.182 -6.536 1.00 0.00 H new ATOM 1191 N GLN p 73 -14.146 8.620 -3.961 1.00 0.00 N ATOM 1192 CA GLN p 73 -15.262 8.698 -3.028 1.00 0.00 C ATOM 1193 C GLN p 73 -14.949 9.829 -2.095 1.00 0.00 C ATOM 1194 O GLN p 73 -15.826 10.462 -1.521 1.00 0.00 O ATOM 1195 CB GLN p 73 -15.391 7.425 -2.215 1.00 0.00 C ATOM 1196 CG GLN p 73 -15.633 6.206 -3.058 1.00 0.00 C ATOM 1197 CD GLN p 73 -16.933 5.498 -2.734 1.00 0.00 C ATOM 1198 OE1 GLN p 73 -16.978 4.616 -1.876 1.00 0.00 O ATOM 1199 NE2 GLN p 73 -18.002 5.882 -3.422 1.00 0.00 N ATOM 0 H GLN p 73 -13.429 7.954 -3.673 1.00 0.00 H new ATOM 0 HA GLN p 73 -16.195 8.844 -3.572 1.00 0.00 H new ATOM 0 HB2 GLN p 73 -14.482 7.281 -1.632 1.00 0.00 H new ATOM 0 HB3 GLN p 73 -16.211 7.536 -1.505 1.00 0.00 H new ATOM 0 HG2 GLN p 73 -15.638 6.495 -4.109 1.00 0.00 H new ATOM 0 HG3 GLN p 73 -14.805 5.510 -2.923 1.00 0.00 H new ATOM 0 HE21 GLN p 73 -17.920 6.617 -4.124 1.00 0.00 H new ATOM 0 HE22 GLN p 73 -18.906 5.442 -3.248 1.00 0.00 H new ATOM 1208 N LEU p 74 -13.637 9.997 -1.942 1.00 0.00 N ATOM 1209 CA LEU p 74 -13.038 11.074 -1.160 1.00 0.00 C ATOM 1210 C LEU p 74 -13.029 12.323 -2.017 1.00 0.00 C ATOM 1211 O LEU p 74 -13.136 13.418 -1.522 1.00 0.00 O ATOM 1212 CB LEU p 74 -11.616 10.714 -0.745 1.00 0.00 C ATOM 1213 CG LEU p 74 -11.021 11.478 0.440 1.00 0.00 C ATOM 1214 CD1 LEU p 74 -11.554 10.957 1.770 1.00 0.00 C ATOM 1215 CD2 LEU p 74 -9.517 11.353 0.379 1.00 0.00 C ATOM 0 H LEU p 74 -12.948 9.376 -2.367 1.00 0.00 H new ATOM 0 HA LEU p 74 -13.617 11.238 -0.251 1.00 0.00 H new ATOM 0 HB2 LEU p 74 -11.592 9.650 -0.508 1.00 0.00 H new ATOM 0 HB3 LEU p 74 -10.964 10.864 -1.606 1.00 0.00 H new ATOM 0 HG LEU p 74 -11.313 12.526 0.375 1.00 0.00 H new ATOM 0 HD11 LEU p 74 -11.109 11.524 2.588 1.00 0.00 H new ATOM 0 HD12 LEU p 74 -12.638 11.071 1.797 1.00 0.00 H new ATOM 0 HD13 LEU p 74 -11.297 9.903 1.877 1.00 0.00 H new ATOM 0 HD21 LEU p 74 -9.073 11.891 1.216 1.00 0.00 H new ATOM 0 HD22 LEU p 74 -9.237 10.301 0.434 1.00 0.00 H new ATOM 0 HD23 LEU p 74 -9.154 11.776 -0.558 1.00 0.00 H new ATOM 1227 N LYS p 75 -12.920 12.106 -3.325 1.00 0.00 N ATOM 1228 CA LYS p 75 -12.961 13.171 -4.320 1.00 0.00 C ATOM 1229 C LYS p 75 -14.419 13.458 -4.573 1.00 0.00 C ATOM 1230 O LYS p 75 -14.803 14.518 -5.074 1.00 0.00 O ATOM 1231 CB LYS p 75 -12.278 12.749 -5.614 1.00 0.00 C ATOM 1232 CG LYS p 75 -11.100 13.624 -6.015 1.00 0.00 C ATOM 1233 CD LYS p 75 -11.409 14.441 -7.258 1.00 0.00 C ATOM 1234 CE LYS p 75 -10.224 15.300 -7.668 1.00 0.00 C ATOM 1235 NZ LYS p 75 -10.512 16.099 -8.892 1.00 0.00 N ATOM 0 H LYS p 75 -12.800 11.176 -3.727 1.00 0.00 H new ATOM 0 HA LYS p 75 -12.432 14.053 -3.958 1.00 0.00 H new ATOM 0 HB2 LYS p 75 -11.933 11.720 -5.510 1.00 0.00 H new ATOM 0 HB3 LYS p 75 -13.013 12.759 -6.419 1.00 0.00 H new ATOM 0 HG2 LYS p 75 -10.846 14.293 -5.193 1.00 0.00 H new ATOM 0 HG3 LYS p 75 -10.227 12.998 -6.198 1.00 0.00 H new ATOM 0 HD2 LYS p 75 -11.676 13.773 -8.077 1.00 0.00 H new ATOM 0 HD3 LYS p 75 -12.274 15.078 -7.071 1.00 0.00 H new ATOM 0 HE2 LYS p 75 -9.962 15.971 -6.850 1.00 0.00 H new ATOM 0 HE3 LYS p 75 -9.358 14.662 -7.847 1.00 0.00 H new ATOM 0 HZ1 LYS p 75 -9.679 16.671 -9.138 1.00 0.00 H new ATOM 0 HZ2 LYS p 75 -10.737 15.458 -9.680 1.00 0.00 H new ATOM 0 HZ3 LYS p 75 -11.322 16.727 -8.714 1.00 0.00 H new ATOM 1249 N LYS p 76 -15.219 12.449 -4.200 1.00 0.00 N ATOM 1250 CA LYS p 76 -16.670 12.529 -4.271 1.00 0.00 C ATOM 1251 C LYS p 76 -17.156 13.167 -2.992 1.00 0.00 C ATOM 1252 O LYS p 76 -18.161 13.883 -2.973 1.00 0.00 O ATOM 1253 CB LYS p 76 -17.293 11.150 -4.440 1.00 0.00 C ATOM 1254 CG LYS p 76 -17.876 10.889 -5.819 1.00 0.00 C ATOM 1255 CD LYS p 76 -19.349 11.267 -5.888 1.00 0.00 C ATOM 1256 CE LYS p 76 -19.943 10.967 -7.254 1.00 0.00 C ATOM 1257 NZ LYS p 76 -21.410 11.219 -7.285 1.00 0.00 N ATOM 0 H LYS p 76 -14.871 11.559 -3.842 1.00 0.00 H new ATOM 0 HA LYS p 76 -16.964 13.122 -5.137 1.00 0.00 H new ATOM 0 HB2 LYS p 76 -16.536 10.394 -4.230 1.00 0.00 H new ATOM 0 HB3 LYS p 76 -18.081 11.027 -3.697 1.00 0.00 H new ATOM 0 HG2 LYS p 76 -17.319 11.458 -6.563 1.00 0.00 H new ATOM 0 HG3 LYS p 76 -17.759 9.835 -6.070 1.00 0.00 H new ATOM 0 HD2 LYS p 76 -19.901 10.721 -5.123 1.00 0.00 H new ATOM 0 HD3 LYS p 76 -19.463 12.328 -5.667 1.00 0.00 H new ATOM 0 HE2 LYS p 76 -19.452 11.583 -8.007 1.00 0.00 H new ATOM 0 HE3 LYS p 76 -19.747 9.927 -7.515 1.00 0.00 H new ATOM 0 HZ1 LYS p 76 -21.779 11.003 -8.233 1.00 0.00 H new ATOM 0 HZ2 LYS p 76 -21.881 10.613 -6.584 1.00 0.00 H new ATOM 0 HZ3 LYS p 76 -21.596 12.217 -7.060 1.00 0.00 H new ATOM 1271 N LYS p 77 -16.412 12.881 -1.918 1.00 0.00 N ATOM 1272 CA LYS p 77 -16.687 13.459 -0.619 1.00 0.00 C ATOM 1273 C LYS p 77 -15.957 14.792 -0.470 1.00 0.00 C ATOM 1274 O LYS p 77 -16.281 15.589 0.415 1.00 0.00 O ATOM 1275 CB LYS p 77 -16.280 12.495 0.486 1.00 0.00 C ATOM 1276 CG LYS p 77 -17.412 11.601 0.961 1.00 0.00 C ATOM 1277 CD LYS p 77 -17.085 10.942 2.294 1.00 0.00 C ATOM 1278 CE LYS p 77 -18.216 10.041 2.770 1.00 0.00 C ATOM 1279 NZ LYS p 77 -18.294 8.777 1.985 1.00 0.00 N ATOM 0 H LYS p 77 -15.613 12.248 -1.934 1.00 0.00 H new ATOM 0 HA LYS p 77 -17.758 13.642 -0.535 1.00 0.00 H new ATOM 0 HB2 LYS p 77 -15.461 11.871 0.129 1.00 0.00 H new ATOM 0 HB3 LYS p 77 -15.900 13.066 1.333 1.00 0.00 H new ATOM 0 HG2 LYS p 77 -18.324 12.190 1.060 1.00 0.00 H new ATOM 0 HG3 LYS p 77 -17.608 10.833 0.213 1.00 0.00 H new ATOM 0 HD2 LYS p 77 -16.171 10.357 2.196 1.00 0.00 H new ATOM 0 HD3 LYS p 77 -16.893 11.711 3.042 1.00 0.00 H new ATOM 0 HE2 LYS p 77 -18.071 9.804 3.824 1.00 0.00 H new ATOM 0 HE3 LYS p 77 -19.163 10.576 2.691 1.00 0.00 H new ATOM 0 HZ1 LYS p 77 -19.077 8.194 2.343 1.00 0.00 H new ATOM 0 HZ2 LYS p 77 -18.458 9.000 0.983 1.00 0.00 H new ATOM 0 HZ3 LYS p 77 -17.401 8.253 2.081 1.00 0.00 H new ATOM 1293 N LEU p 78 -14.965 15.019 -1.353 1.00 0.00 N ATOM 1294 CA LEU p 78 -14.181 16.261 -1.365 1.00 0.00 C ATOM 1295 C LEU p 78 -15.065 17.501 -1.559 1.00 0.00 C ATOM 1296 O LEU p 78 -15.099 18.400 -0.714 1.00 0.00 O ATOM 1297 CB LEU p 78 -13.119 16.150 -2.481 1.00 0.00 C ATOM 1298 CG LEU p 78 -12.271 17.388 -2.783 1.00 0.00 C ATOM 1299 CD1 LEU p 78 -11.403 17.741 -1.594 1.00 0.00 C ATOM 1300 CD2 LEU p 78 -11.423 17.132 -4.014 1.00 0.00 C ATOM 0 H LEU p 78 -14.689 14.350 -2.071 1.00 0.00 H new ATOM 0 HA LEU p 78 -13.695 16.387 -0.397 1.00 0.00 H new ATOM 0 HB2 LEU p 78 -12.443 15.336 -2.220 1.00 0.00 H new ATOM 0 HB3 LEU p 78 -13.628 15.860 -3.400 1.00 0.00 H new ATOM 0 HG LEU p 78 -12.929 18.235 -2.978 1.00 0.00 H new ATOM 0 HD11 LEU p 78 -10.807 18.624 -1.828 1.00 0.00 H new ATOM 0 HD12 LEU p 78 -12.035 17.948 -0.731 1.00 0.00 H new ATOM 0 HD13 LEU p 78 -10.740 16.906 -1.367 1.00 0.00 H new ATOM 0 HD21 LEU p 78 -10.819 18.013 -4.229 1.00 0.00 H new ATOM 0 HD22 LEU p 78 -10.769 16.279 -3.834 1.00 0.00 H new ATOM 0 HD23 LEU p 78 -12.071 16.919 -4.864 1.00 0.00 H new ATOM 1312 N GLN p 79 -15.762 17.512 -2.680 1.00 0.00 N ATOM 1313 CA GLN p 79 -16.668 18.589 -3.057 1.00 0.00 C ATOM 1314 C GLN p 79 -18.084 18.343 -2.542 1.00 0.00 C ATOM 1315 O GLN p 79 -18.746 19.255 -2.044 1.00 0.00 O ATOM 1316 CB GLN p 79 -16.678 18.762 -4.586 1.00 0.00 C ATOM 1317 CG GLN p 79 -16.553 17.468 -5.394 1.00 0.00 C ATOM 1318 CD GLN p 79 -16.613 17.707 -6.889 1.00 0.00 C ATOM 1319 OE1 GLN p 79 -15.590 17.927 -7.536 1.00 0.00 O ATOM 1320 NE2 GLN p 79 -17.817 17.665 -7.445 1.00 0.00 N ATOM 0 H GLN p 79 -15.716 16.761 -3.369 1.00 0.00 H new ATOM 0 HA GLN p 79 -16.305 19.506 -2.594 1.00 0.00 H new ATOM 0 HB2 GLN p 79 -17.604 19.261 -4.872 1.00 0.00 H new ATOM 0 HB3 GLN p 79 -15.859 19.425 -4.865 1.00 0.00 H new ATOM 0 HG2 GLN p 79 -15.611 16.978 -5.146 1.00 0.00 H new ATOM 0 HG3 GLN p 79 -17.353 16.786 -5.106 1.00 0.00 H new ATOM 0 HE21 GLN p 79 -18.638 17.479 -6.869 1.00 0.00 H new ATOM 0 HE22 GLN p 79 -17.921 17.819 -8.448 1.00 0.00 H new ATOM 1329 N ALA p 80 -18.523 17.085 -2.671 1.00 0.00 N ATOM 1330 CA ALA p 80 -19.863 16.617 -2.246 1.00 0.00 C ATOM 1331 C ALA p 80 -20.997 17.364 -2.965 1.00 0.00 C ATOM 1332 O ALA p 80 -21.181 18.573 -2.701 1.00 0.00 O ATOM 1333 CB ALA p 80 -20.032 16.707 -0.725 1.00 0.00 C ATOM 1334 OXT ALA p 80 -21.690 16.729 -3.788 1.00 0.00 O ATOM 0 H ALA p 80 -17.953 16.345 -3.080 1.00 0.00 H new ATOM 0 HA ALA p 80 -19.931 15.568 -2.535 1.00 0.00 H new ATOM 0 HB1 ALA p 80 -21.026 16.356 -0.448 1.00 0.00 H new ATOM 0 HB2 ALA p 80 -19.279 16.087 -0.238 1.00 0.00 H new ATOM 0 HB3 ALA p 80 -19.911 17.742 -0.406 1.00 0.00 H new