USER MOD reduce.3.24.130724 H: found=0, std=0, add=523, rem=0, adj=0 USER MOD reduce.3.24.130724 removed 525 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : p 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : p 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : p 11 ASN : amide:sc= -0.102 K(o=-0.1,f=-1.1!) USER MOD Single : p 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : p 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : p 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : p 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : p 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : p 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : p 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : p 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 -5.187 21.419 5.511 1.00 0.00 N ATOM 38 CA ALA p 3 -5.733 20.560 6.564 1.00 0.00 C ATOM 39 C ALA p 3 -6.255 19.242 6.017 1.00 0.00 C ATOM 40 O ALA p 3 -6.025 18.183 6.591 1.00 0.00 O ATOM 41 CB ALA p 3 -6.823 21.296 7.336 1.00 0.00 C ATOM 0 HA ALA p 3 -4.917 20.320 7.246 1.00 0.00 H new ATOM 0 HB1 ALA p 3 -7.220 20.645 8.115 1.00 0.00 H new ATOM 0 HB2 ALA p 3 -6.404 22.193 7.791 1.00 0.00 H new ATOM 0 HB3 ALA p 3 -7.626 21.576 6.654 1.00 0.00 H new ATOM 47 N LEU p 4 -6.997 19.361 4.924 1.00 0.00 N ATOM 48 CA LEU p 4 -7.625 18.260 4.227 1.00 0.00 C ATOM 49 C LEU p 4 -6.747 17.807 3.070 1.00 0.00 C ATOM 50 O LEU p 4 -6.448 16.627 2.915 1.00 0.00 O ATOM 51 CB LEU p 4 -9.036 18.694 3.748 1.00 0.00 C ATOM 52 CG LEU p 4 -9.944 17.611 3.120 1.00 0.00 C ATOM 53 CD1 LEU p 4 -9.716 17.531 1.620 1.00 0.00 C ATOM 54 CD2 LEU p 4 -9.711 16.253 3.765 1.00 0.00 C ATOM 0 H LEU p 4 -7.181 20.264 4.487 1.00 0.00 H new ATOM 0 HA LEU p 4 -7.742 17.410 4.899 1.00 0.00 H new ATOM 0 HB2 LEU p 4 -9.563 19.121 4.601 1.00 0.00 H new ATOM 0 HB3 LEU p 4 -8.912 19.493 3.017 1.00 0.00 H new ATOM 0 HG LEU p 4 -10.980 17.896 3.303 1.00 0.00 H new ATOM 0 HD11 LEU p 4 -10.363 16.764 1.194 1.00 0.00 H new ATOM 0 HD12 LEU p 4 -9.947 18.494 1.165 1.00 0.00 H new ATOM 0 HD13 LEU p 4 -8.674 17.277 1.423 1.00 0.00 H new ATOM 0 HD21 LEU p 4 -10.364 15.513 3.302 1.00 0.00 H new ATOM 0 HD22 LEU p 4 -8.671 15.957 3.625 1.00 0.00 H new ATOM 0 HD23 LEU p 4 -9.931 16.314 4.831 1.00 0.00 H new ATOM 66 N GLU p 5 -6.360 18.800 2.270 1.00 0.00 N ATOM 67 CA GLU p 5 -5.521 18.623 1.070 1.00 0.00 C ATOM 68 C GLU p 5 -4.132 18.121 1.418 1.00 0.00 C ATOM 69 O GLU p 5 -3.515 17.403 0.635 1.00 0.00 O ATOM 70 CB GLU p 5 -5.392 19.939 0.294 1.00 0.00 C ATOM 71 CG GLU p 5 -6.633 20.815 0.346 1.00 0.00 C ATOM 72 CD GLU p 5 -7.141 21.202 -1.030 1.00 0.00 C ATOM 73 OE1 GLU p 5 -6.670 22.223 -1.571 1.00 0.00 O ATOM 74 OE2 GLU p 5 -8.010 20.482 -1.566 1.00 0.00 O ATOM 0 H GLU p 5 -6.622 19.772 2.435 1.00 0.00 H new ATOM 0 HA GLU p 5 -6.018 17.876 0.451 1.00 0.00 H new ATOM 0 HB2 GLU p 5 -4.547 20.501 0.691 1.00 0.00 H new ATOM 0 HB3 GLU p 5 -5.163 19.713 -0.748 1.00 0.00 H new ATOM 0 HG2 GLU p 5 -7.421 20.288 0.884 1.00 0.00 H new ATOM 0 HG3 GLU p 5 -6.410 21.719 0.913 1.00 0.00 H new ATOM 81 N LYS p 6 -3.666 18.522 2.594 1.00 0.00 N ATOM 82 CA LYS p 6 -2.356 18.118 3.105 1.00 0.00 C ATOM 83 C LYS p 6 -2.493 16.884 3.987 1.00 0.00 C ATOM 84 O LYS p 6 -1.497 16.287 4.377 1.00 0.00 O ATOM 85 CB LYS p 6 -1.666 19.246 3.866 1.00 0.00 C ATOM 86 CG LYS p 6 -0.987 20.282 2.971 1.00 0.00 C ATOM 87 CD LYS p 6 0.405 19.833 2.535 1.00 0.00 C ATOM 88 CE LYS p 6 1.026 20.801 1.537 1.00 0.00 C ATOM 89 NZ LYS p 6 1.492 22.057 2.188 1.00 0.00 N ATOM 0 H LYS p 6 -4.183 19.136 3.223 1.00 0.00 H new ATOM 0 HA LYS p 6 -1.728 17.876 2.247 1.00 0.00 H new ATOM 0 HB2 LYS p 6 -2.402 19.750 4.492 1.00 0.00 H new ATOM 0 HB3 LYS p 6 -0.920 18.815 4.534 1.00 0.00 H new ATOM 0 HG2 LYS p 6 -1.603 20.460 2.090 1.00 0.00 H new ATOM 0 HG3 LYS p 6 -0.912 21.229 3.505 1.00 0.00 H new ATOM 0 HD2 LYS p 6 1.050 19.749 3.410 1.00 0.00 H new ATOM 0 HD3 LYS p 6 0.343 18.841 2.088 1.00 0.00 H new ATOM 0 HE2 LYS p 6 1.867 20.318 1.040 1.00 0.00 H new ATOM 0 HE3 LYS p 6 0.295 21.043 0.765 1.00 0.00 H new ATOM 0 HZ1 LYS p 6 1.907 22.686 1.471 1.00 0.00 H new ATOM 0 HZ2 LYS p 6 0.686 22.533 2.641 1.00 0.00 H new ATOM 0 HZ3 LYS p 6 2.209 21.830 2.907 1.00 0.00 H new ATOM 103 N GLU p 7 -3.750 16.549 4.313 1.00 0.00 N ATOM 104 CA GLU p 7 -4.106 15.353 5.073 1.00 0.00 C ATOM 105 C GLU p 7 -4.305 14.235 4.050 1.00 0.00 C ATOM 106 O GLU p 7 -4.206 13.047 4.346 1.00 0.00 O ATOM 107 CB GLU p 7 -5.385 15.629 5.870 1.00 0.00 C ATOM 108 CG GLU p 7 -6.299 14.434 6.079 1.00 0.00 C ATOM 109 CD GLU p 7 -6.459 14.061 7.540 1.00 0.00 C ATOM 110 OE1 GLU p 7 -7.382 14.595 8.192 1.00 0.00 O ATOM 111 OE2 GLU p 7 -5.661 13.237 8.032 1.00 0.00 O ATOM 0 H GLU p 7 -4.557 17.114 4.049 1.00 0.00 H new ATOM 0 HA GLU p 7 -3.335 15.067 5.788 1.00 0.00 H new ATOM 0 HB2 GLU p 7 -5.105 16.025 6.846 1.00 0.00 H new ATOM 0 HB3 GLU p 7 -5.949 16.410 5.359 1.00 0.00 H new ATOM 0 HG2 GLU p 7 -7.279 14.655 5.656 1.00 0.00 H new ATOM 0 HG3 GLU p 7 -5.901 13.579 5.533 1.00 0.00 H new ATOM 118 N LEU p 8 -4.597 14.716 2.846 1.00 0.00 N ATOM 119 CA LEU p 8 -4.802 13.950 1.645 1.00 0.00 C ATOM 120 C LEU p 8 -3.455 13.835 0.955 1.00 0.00 C ATOM 121 O LEU p 8 -3.182 12.871 0.248 1.00 0.00 O ATOM 122 CB LEU p 8 -5.828 14.686 0.758 1.00 0.00 C ATOM 123 CG LEU p 8 -5.665 14.544 -0.758 1.00 0.00 C ATOM 124 CD1 LEU p 8 -5.966 13.127 -1.173 1.00 0.00 C ATOM 125 CD2 LEU p 8 -6.554 15.535 -1.483 1.00 0.00 C ATOM 0 H LEU p 8 -4.701 15.718 2.684 1.00 0.00 H new ATOM 0 HA LEU p 8 -5.192 12.954 1.853 1.00 0.00 H new ATOM 0 HB2 LEU p 8 -6.823 14.332 1.026 1.00 0.00 H new ATOM 0 HB3 LEU p 8 -5.790 15.747 1.005 1.00 0.00 H new ATOM 0 HG LEU p 8 -4.634 14.768 -1.031 1.00 0.00 H new ATOM 0 HD11 LEU p 8 -5.849 13.031 -2.252 1.00 0.00 H new ATOM 0 HD12 LEU p 8 -5.278 12.447 -0.671 1.00 0.00 H new ATOM 0 HD13 LEU p 8 -6.990 12.876 -0.896 1.00 0.00 H new ATOM 0 HD21 LEU p 8 -6.425 15.420 -2.559 1.00 0.00 H new ATOM 0 HD22 LEU p 8 -7.595 15.349 -1.220 1.00 0.00 H new ATOM 0 HD23 LEU p 8 -6.281 16.549 -1.191 1.00 0.00 H new ATOM 137 N ALA p 9 -2.662 14.891 1.158 1.00 0.00 N ATOM 138 CA ALA p 9 -1.284 14.977 0.668 1.00 0.00 C ATOM 139 C ALA p 9 -0.402 14.243 1.663 1.00 0.00 C ATOM 140 O ALA p 9 0.728 13.852 1.363 1.00 0.00 O ATOM 141 CB ALA p 9 -0.808 16.410 0.484 1.00 0.00 C ATOM 0 H ALA p 9 -2.962 15.719 1.673 1.00 0.00 H new ATOM 0 HA ALA p 9 -1.231 14.522 -0.321 1.00 0.00 H new ATOM 0 HB1 ALA p 9 0.219 16.408 0.119 1.00 0.00 H new ATOM 0 HB2 ALA p 9 -1.448 16.916 -0.238 1.00 0.00 H new ATOM 0 HB3 ALA p 9 -0.853 16.934 1.439 1.00 0.00 H new ATOM 147 N GLN p 10 -0.974 14.080 2.869 1.00 0.00 N ATOM 148 CA GLN p 10 -0.373 13.340 3.957 1.00 0.00 C ATOM 149 C GLN p 10 -0.830 11.906 3.793 1.00 0.00 C ATOM 150 O GLN p 10 -0.133 10.980 4.156 1.00 0.00 O ATOM 151 CB GLN p 10 -0.808 13.933 5.301 1.00 0.00 C ATOM 152 CG GLN p 10 -0.933 12.945 6.450 1.00 0.00 C ATOM 153 CD GLN p 10 0.117 13.153 7.523 1.00 0.00 C ATOM 154 OE1 GLN p 10 1.198 12.567 7.471 1.00 0.00 O ATOM 155 NE2 GLN p 10 -0.196 13.991 8.505 1.00 0.00 N ATOM 0 H GLN p 10 -1.885 14.473 3.104 1.00 0.00 H new ATOM 0 HA GLN p 10 0.716 13.393 3.939 1.00 0.00 H new ATOM 0 HB2 GLN p 10 -0.092 14.704 5.586 1.00 0.00 H new ATOM 0 HB3 GLN p 10 -1.770 14.427 5.165 1.00 0.00 H new ATOM 0 HG2 GLN p 10 -1.924 13.037 6.895 1.00 0.00 H new ATOM 0 HG3 GLN p 10 -0.851 11.930 6.061 1.00 0.00 H new ATOM 0 HE21 GLN p 10 -1.104 14.456 8.509 1.00 0.00 H new ATOM 0 HE22 GLN p 10 0.472 14.170 9.255 1.00 0.00 H new ATOM 164 N ASN p 11 -2.033 11.792 3.210 1.00 0.00 N ATOM 165 CA ASN p 11 -2.676 10.518 2.875 1.00 0.00 C ATOM 166 C ASN p 11 -2.077 10.049 1.568 1.00 0.00 C ATOM 167 O ASN p 11 -2.172 8.881 1.205 1.00 0.00 O ATOM 168 CB ASN p 11 -4.197 10.658 2.733 1.00 0.00 C ATOM 169 CG ASN p 11 -4.949 9.369 3.036 1.00 0.00 C ATOM 170 OD1 ASN p 11 -4.558 8.588 3.907 1.00 0.00 O ATOM 171 ND2 ASN p 11 -6.037 9.140 2.311 1.00 0.00 N ATOM 0 H ASN p 11 -2.596 12.603 2.954 1.00 0.00 H new ATOM 0 HA ASN p 11 -2.503 9.801 3.678 1.00 0.00 H new ATOM 0 HB2 ASN p 11 -4.547 11.442 3.404 1.00 0.00 H new ATOM 0 HB3 ASN p 11 -4.433 10.979 1.718 1.00 0.00 H new ATOM 0 HD21 ASN p 11 -6.583 8.293 2.465 1.00 0.00 H new ATOM 0 HD22 ASN p 11 -6.327 9.812 1.600 1.00 0.00 H new ATOM 178 N GLU p 12 -1.479 11.032 0.874 1.00 0.00 N ATOM 179 CA GLU p 12 -0.757 10.855 -0.344 1.00 0.00 C ATOM 180 C GLU p 12 0.645 10.467 0.064 1.00 0.00 C ATOM 181 O GLU p 12 1.361 9.759 -0.633 1.00 0.00 O ATOM 182 CB GLU p 12 -0.737 12.186 -1.041 1.00 0.00 C ATOM 183 CG GLU p 12 -0.011 12.179 -2.340 1.00 0.00 C ATOM 184 CD GLU p 12 -0.885 12.530 -3.527 1.00 0.00 C ATOM 185 OE1 GLU p 12 -0.983 13.731 -3.857 1.00 0.00 O ATOM 186 OE2 GLU p 12 -1.474 11.606 -4.125 1.00 0.00 O ATOM 0 H GLU p 12 -1.501 12.004 1.181 1.00 0.00 H new ATOM 0 HA GLU p 12 -1.192 10.103 -1.003 1.00 0.00 H new ATOM 0 HB2 GLU p 12 -1.763 12.510 -1.212 1.00 0.00 H new ATOM 0 HB3 GLU p 12 -0.276 12.922 -0.383 1.00 0.00 H new ATOM 0 HG2 GLU p 12 0.817 12.886 -2.288 1.00 0.00 H new ATOM 0 HG3 GLU p 12 0.423 11.192 -2.499 1.00 0.00 H new ATOM 193 N TRP p 13 0.985 11.042 1.215 1.00 0.00 N ATOM 194 CA TRP p 13 2.247 10.824 1.918 1.00 0.00 C ATOM 195 C TRP p 13 2.160 9.503 2.679 1.00 0.00 C ATOM 196 O TRP p 13 3.177 8.912 3.028 1.00 0.00 O ATOM 197 CB TRP p 13 2.573 11.973 2.874 1.00 0.00 C ATOM 198 CG TRP p 13 4.045 12.133 3.143 1.00 0.00 C ATOM 199 CD1 TRP p 13 4.925 12.900 2.433 1.00 0.00 C ATOM 200 CD2 TRP p 13 4.809 11.513 4.191 1.00 0.00 C ATOM 201 NE1 TRP p 13 6.184 12.796 2.971 1.00 0.00 N ATOM 202 CE2 TRP p 13 6.140 11.952 4.050 1.00 0.00 C ATOM 203 CE3 TRP p 13 4.501 10.631 5.235 1.00 0.00 C ATOM 204 CZ2 TRP p 13 7.156 11.542 4.910 1.00 0.00 C ATOM 205 CZ3 TRP p 13 5.512 10.225 6.086 1.00 0.00 C ATOM 206 CH2 TRP p 13 6.824 10.680 5.920 1.00 0.00 C ATOM 0 H TRP p 13 0.369 11.694 1.700 1.00 0.00 H new ATOM 0 HA TRP p 13 3.054 10.784 1.186 1.00 0.00 H new ATOM 0 HB2 TRP p 13 2.185 12.903 2.457 1.00 0.00 H new ATOM 0 HB3 TRP p 13 2.055 11.807 3.819 1.00 0.00 H new ATOM 0 HD1 TRP p 13 4.668 13.501 1.573 1.00 0.00 H new ATOM 0 HE1 TRP p 13 7.018 13.270 2.624 1.00 0.00 H new ATOM 0 HE3 TRP p 13 3.491 10.274 5.373 1.00 0.00 H new ATOM 0 HZ2 TRP p 13 8.170 11.892 4.784 1.00 0.00 H new ATOM 0 HZ3 TRP p 13 5.285 9.544 6.893 1.00 0.00 H new ATOM 0 HH2 TRP p 13 7.591 10.344 6.603 1.00 0.00 H new ATOM 217 N GLU p 14 0.908 9.093 2.953 1.00 0.00 N ATOM 218 CA GLU p 14 0.598 7.797 3.596 1.00 0.00 C ATOM 219 C GLU p 14 0.386 6.819 2.483 1.00 0.00 C ATOM 220 O GLU p 14 0.379 5.609 2.673 1.00 0.00 O ATOM 221 CB GLU p 14 -0.651 7.829 4.469 1.00 0.00 C ATOM 222 CG GLU p 14 -0.611 8.932 5.481 1.00 0.00 C ATOM 223 CD GLU p 14 -1.064 8.501 6.863 1.00 0.00 C ATOM 224 OE1 GLU p 14 -2.275 8.600 7.149 1.00 0.00 O ATOM 225 OE2 GLU p 14 -0.205 8.062 7.659 1.00 0.00 O ATOM 0 H GLU p 14 0.081 9.649 2.736 1.00 0.00 H new ATOM 0 HA GLU p 14 1.421 7.530 4.259 1.00 0.00 H new ATOM 0 HB2 GLU p 14 -1.530 7.951 3.836 1.00 0.00 H new ATOM 0 HB3 GLU p 14 -0.758 6.873 4.981 1.00 0.00 H new ATOM 0 HG2 GLU p 14 0.406 9.319 5.545 1.00 0.00 H new ATOM 0 HG3 GLU p 14 -1.243 9.751 5.139 1.00 0.00 H new ATOM 232 N LEU p 15 0.145 7.432 1.329 1.00 0.00 N ATOM 233 CA LEU p 15 -0.010 6.753 0.048 1.00 0.00 C ATOM 234 C LEU p 15 1.389 6.584 -0.533 1.00 0.00 C ATOM 235 O LEU p 15 1.650 5.710 -1.356 1.00 0.00 O ATOM 236 CB LEU p 15 -0.898 7.568 -0.912 1.00 0.00 C ATOM 237 CG LEU p 15 -1.271 6.926 -2.266 1.00 0.00 C ATOM 238 CD1 LEU p 15 -0.300 7.388 -3.337 1.00 0.00 C ATOM 239 CD2 LEU p 15 -1.275 5.410 -2.174 1.00 0.00 C ATOM 0 H LEU p 15 0.049 8.445 1.257 1.00 0.00 H new ATOM 0 HA LEU p 15 -0.499 5.788 0.185 1.00 0.00 H new ATOM 0 HB2 LEU p 15 -1.824 7.809 -0.389 1.00 0.00 H new ATOM 0 HB3 LEU p 15 -0.392 8.512 -1.117 1.00 0.00 H new ATOM 0 HG LEU p 15 -2.279 7.245 -2.532 1.00 0.00 H new ATOM 0 HD11 LEU p 15 -0.567 6.933 -4.291 1.00 0.00 H new ATOM 0 HD12 LEU p 15 -0.347 8.473 -3.427 1.00 0.00 H new ATOM 0 HD13 LEU p 15 0.712 7.090 -3.063 1.00 0.00 H new ATOM 0 HD21 LEU p 15 -1.541 4.987 -3.143 1.00 0.00 H new ATOM 0 HD22 LEU p 15 -0.284 5.060 -1.886 1.00 0.00 H new ATOM 0 HD23 LEU p 15 -2.003 5.093 -1.427 1.00 0.00 H new ATOM 251 N GLN p 16 2.250 7.488 -0.066 1.00 0.00 N ATOM 252 CA GLN p 16 3.644 7.558 -0.366 1.00 0.00 C ATOM 253 C GLN p 16 4.337 6.646 0.616 1.00 0.00 C ATOM 254 O GLN p 16 5.385 6.084 0.346 1.00 0.00 O ATOM 255 CB GLN p 16 4.074 8.980 -0.132 1.00 0.00 C ATOM 256 CG GLN p 16 5.503 9.240 -0.449 1.00 0.00 C ATOM 257 CD GLN p 16 5.705 10.226 -1.583 1.00 0.00 C ATOM 258 OE1 GLN p 16 5.801 11.432 -1.362 1.00 0.00 O ATOM 259 NE2 GLN p 16 5.768 9.715 -2.807 1.00 0.00 N ATOM 0 H GLN p 16 1.954 8.229 0.570 1.00 0.00 H new ATOM 0 HA GLN p 16 3.877 7.264 -1.389 1.00 0.00 H new ATOM 0 HB2 GLN p 16 3.452 9.641 -0.736 1.00 0.00 H new ATOM 0 HB3 GLN p 16 3.891 9.237 0.911 1.00 0.00 H new ATOM 0 HG2 GLN p 16 6.001 9.619 0.443 1.00 0.00 H new ATOM 0 HG3 GLN p 16 5.986 8.298 -0.708 1.00 0.00 H new ATOM 0 HE21 GLN p 16 5.683 8.708 -2.944 1.00 0.00 H new ATOM 0 HE22 GLN p 16 5.901 10.330 -3.610 1.00 0.00 H new ATOM 268 N ALA p 17 3.720 6.633 1.793 1.00 0.00 N ATOM 269 CA ALA p 17 4.096 5.771 2.913 1.00 0.00 C ATOM 270 C ALA p 17 3.454 4.415 2.694 1.00 0.00 C ATOM 271 O ALA p 17 3.822 3.434 3.330 1.00 0.00 O ATOM 272 CB ALA p 17 3.685 6.350 4.260 1.00 0.00 C ATOM 0 H ALA p 17 2.924 7.236 2.002 1.00 0.00 H new ATOM 0 HA ALA p 17 5.182 5.685 2.942 1.00 0.00 H new ATOM 0 HB1 ALA p 17 3.988 5.670 5.056 1.00 0.00 H new ATOM 0 HB2 ALA p 17 4.169 7.316 4.404 1.00 0.00 H new ATOM 0 HB3 ALA p 17 2.603 6.479 4.286 1.00 0.00 H new ATOM 278 N LEU p 18 2.449 4.415 1.792 1.00 0.00 N ATOM 279 CA LEU p 18 1.761 3.211 1.345 1.00 0.00 C ATOM 280 C LEU p 18 2.559 2.699 0.159 1.00 0.00 C ATOM 281 O LEU p 18 2.541 1.518 -0.180 1.00 0.00 O ATOM 282 CB LEU p 18 0.306 3.505 0.925 1.00 0.00 C ATOM 283 CG LEU p 18 -0.584 2.302 0.542 1.00 0.00 C ATOM 284 CD1 LEU p 18 -0.579 2.122 -0.965 1.00 0.00 C ATOM 285 CD2 LEU p 18 -0.118 1.028 1.226 1.00 0.00 C ATOM 0 H LEU p 18 2.098 5.267 1.356 1.00 0.00 H new ATOM 0 HA LEU p 18 1.702 2.478 2.150 1.00 0.00 H new ATOM 0 HB2 LEU p 18 -0.180 4.035 1.744 1.00 0.00 H new ATOM 0 HB3 LEU p 18 0.333 4.187 0.075 1.00 0.00 H new ATOM 0 HG LEU p 18 -1.600 2.506 0.880 1.00 0.00 H new ATOM 0 HD11 LEU p 18 -1.208 1.273 -1.232 1.00 0.00 H new ATOM 0 HD12 LEU p 18 -0.966 3.023 -1.440 1.00 0.00 H new ATOM 0 HD13 LEU p 18 0.440 1.941 -1.306 1.00 0.00 H new ATOM 0 HD21 LEU p 18 -0.766 0.201 0.935 1.00 0.00 H new ATOM 0 HD22 LEU p 18 0.907 0.809 0.927 1.00 0.00 H new ATOM 0 HD23 LEU p 18 -0.161 1.159 2.307 1.00 0.00 H new ATOM 297 N GLU p 19 3.237 3.669 -0.459 1.00 0.00 N ATOM 298 CA GLU p 19 4.128 3.485 -1.559 1.00 0.00 C ATOM 299 C GLU p 19 5.463 3.053 -0.987 1.00 0.00 C ATOM 300 O GLU p 19 6.195 2.277 -1.579 1.00 0.00 O ATOM 301 CB GLU p 19 4.258 4.827 -2.233 1.00 0.00 C ATOM 302 CG GLU p 19 5.027 4.793 -3.502 1.00 0.00 C ATOM 303 CD GLU p 19 4.188 5.094 -4.728 1.00 0.00 C ATOM 304 OE1 GLU p 19 4.082 6.283 -5.097 1.00 0.00 O ATOM 305 OE2 GLU p 19 3.634 4.142 -5.317 1.00 0.00 O ATOM 0 H GLU p 19 3.161 4.646 -0.176 1.00 0.00 H new ATOM 0 HA GLU p 19 3.779 2.738 -2.272 1.00 0.00 H new ATOM 0 HB2 GLU p 19 3.261 5.219 -2.435 1.00 0.00 H new ATOM 0 HB3 GLU p 19 4.741 5.522 -1.546 1.00 0.00 H new ATOM 0 HG2 GLU p 19 5.841 5.515 -3.443 1.00 0.00 H new ATOM 0 HG3 GLU p 19 5.481 3.809 -3.616 1.00 0.00 H new ATOM 312 N LYS p 20 5.750 3.675 0.153 1.00 0.00 N ATOM 313 CA LYS p 20 6.928 3.408 0.974 1.00 0.00 C ATOM 314 C LYS p 20 6.689 2.150 1.793 1.00 0.00 C ATOM 315 O LYS p 20 7.619 1.572 2.351 1.00 0.00 O ATOM 316 CB LYS p 20 7.217 4.589 1.891 1.00 0.00 C ATOM 317 CG LYS p 20 8.640 5.107 1.818 1.00 0.00 C ATOM 318 CD LYS p 20 9.467 4.646 3.008 1.00 0.00 C ATOM 319 CE LYS p 20 10.896 5.158 2.928 1.00 0.00 C ATOM 320 NZ LYS p 20 11.709 4.716 4.095 1.00 0.00 N ATOM 0 H LYS p 20 5.150 4.402 0.544 1.00 0.00 H new ATOM 0 HA LYS p 20 7.793 3.262 0.327 1.00 0.00 H new ATOM 0 HB2 LYS p 20 6.535 5.402 1.642 1.00 0.00 H new ATOM 0 HB3 LYS p 20 7.002 4.296 2.919 1.00 0.00 H new ATOM 0 HG2 LYS p 20 9.106 4.762 0.895 1.00 0.00 H new ATOM 0 HG3 LYS p 20 8.630 6.196 1.782 1.00 0.00 H new ATOM 0 HD2 LYS p 20 9.005 4.997 3.931 1.00 0.00 H new ATOM 0 HD3 LYS p 20 9.472 3.557 3.048 1.00 0.00 H new ATOM 0 HE2 LYS p 20 11.358 4.802 2.007 1.00 0.00 H new ATOM 0 HE3 LYS p 20 10.890 6.247 2.881 1.00 0.00 H new ATOM 0 HZ1 LYS p 20 12.677 5.085 4.004 1.00 0.00 H new ATOM 0 HZ2 LYS p 20 11.282 5.077 4.972 1.00 0.00 H new ATOM 0 HZ3 LYS p 20 11.736 3.677 4.125 1.00 0.00 H new ATOM 334 N GLU p 21 5.401 1.773 1.871 1.00 0.00 N ATOM 335 CA GLU p 21 4.952 0.554 2.508 1.00 0.00 C ATOM 336 C GLU p 21 4.998 -0.487 1.405 1.00 0.00 C ATOM 337 O GLU p 21 5.214 -1.681 1.633 1.00 0.00 O ATOM 338 CB GLU p 21 3.543 0.740 3.076 1.00 0.00 C ATOM 339 CG GLU p 21 2.703 -0.517 3.154 1.00 0.00 C ATOM 340 CD GLU p 21 2.483 -0.999 4.575 1.00 0.00 C ATOM 341 OE1 GLU p 21 3.318 -1.784 5.071 1.00 0.00 O ATOM 342 OE2 GLU p 21 1.478 -0.590 5.192 1.00 0.00 O ATOM 0 H GLU p 21 4.639 2.328 1.481 1.00 0.00 H new ATOM 0 HA GLU p 21 5.570 0.258 3.356 1.00 0.00 H new ATOM 0 HB2 GLU p 21 3.626 1.164 4.077 1.00 0.00 H new ATOM 0 HB3 GLU p 21 3.016 1.471 2.463 1.00 0.00 H new ATOM 0 HG2 GLU p 21 1.736 -0.330 2.686 1.00 0.00 H new ATOM 0 HG3 GLU p 21 3.188 -1.307 2.580 1.00 0.00 H new ATOM 349 N LEU p 22 4.775 0.041 0.193 1.00 0.00 N ATOM 350 CA LEU p 22 4.868 -0.715 -1.039 1.00 0.00 C ATOM 351 C LEU p 22 6.353 -0.875 -1.337 1.00 0.00 C ATOM 352 O LEU p 22 6.823 -1.934 -1.761 1.00 0.00 O ATOM 353 CB LEU p 22 4.187 0.083 -2.154 1.00 0.00 C ATOM 354 CG LEU p 22 3.721 -0.663 -3.404 1.00 0.00 C ATOM 355 CD1 LEU p 22 3.083 0.346 -4.326 1.00 0.00 C ATOM 356 CD2 LEU p 22 4.873 -1.358 -4.114 1.00 0.00 C ATOM 0 H LEU p 22 4.522 1.019 0.052 1.00 0.00 H new ATOM 0 HA LEU p 22 4.384 -1.689 -0.963 1.00 0.00 H new ATOM 0 HB2 LEU p 22 3.319 0.581 -1.722 1.00 0.00 H new ATOM 0 HB3 LEU p 22 4.878 0.864 -2.472 1.00 0.00 H new ATOM 0 HG LEU p 22 3.012 -1.439 -3.116 1.00 0.00 H new ATOM 0 HD11 LEU p 22 2.738 -0.155 -5.231 1.00 0.00 H new ATOM 0 HD12 LEU p 22 2.235 0.813 -3.824 1.00 0.00 H new ATOM 0 HD13 LEU p 22 3.814 1.110 -4.590 1.00 0.00 H new ATOM 0 HD21 LEU p 22 4.497 -1.876 -4.997 1.00 0.00 H new ATOM 0 HD22 LEU p 22 5.614 -0.618 -4.416 1.00 0.00 H new ATOM 0 HD23 LEU p 22 5.334 -2.079 -3.439 1.00 0.00 H new ATOM 368 N ALA p 23 7.063 0.231 -1.088 1.00 0.00 N ATOM 369 CA ALA p 23 8.519 0.305 -1.245 1.00 0.00 C ATOM 370 C ALA p 23 9.214 -0.363 -0.064 1.00 0.00 C ATOM 371 O ALA p 23 10.411 -0.595 -0.110 1.00 0.00 O ATOM 372 CB ALA p 23 9.001 1.744 -1.403 1.00 0.00 C ATOM 0 H ALA p 23 6.641 1.104 -0.770 1.00 0.00 H new ATOM 0 HA ALA p 23 8.779 -0.229 -2.159 1.00 0.00 H new ATOM 0 HB1 ALA p 23 10.085 1.754 -1.516 1.00 0.00 H new ATOM 0 HB2 ALA p 23 8.540 2.187 -2.285 1.00 0.00 H new ATOM 0 HB3 ALA p 23 8.723 2.320 -0.520 1.00 0.00 H new ATOM 378 N GLN p 24 8.424 -0.651 0.991 1.00 0.00 N ATOM 379 CA GLN p 24 8.874 -1.320 2.207 1.00 0.00 C ATOM 380 C GLN p 24 9.142 -2.795 1.909 1.00 0.00 C ATOM 381 O GLN p 24 10.026 -3.408 2.482 1.00 0.00 O ATOM 382 CB GLN p 24 7.774 -1.167 3.259 1.00 0.00 C ATOM 383 CG GLN p 24 7.760 -2.221 4.338 1.00 0.00 C ATOM 384 CD GLN p 24 8.259 -1.712 5.676 1.00 0.00 C ATOM 385 OE1 GLN p 24 7.483 -1.221 6.495 1.00 0.00 O ATOM 386 NE2 GLN p 24 9.563 -1.824 5.903 1.00 0.00 N ATOM 0 H GLN p 24 7.432 -0.414 1.011 1.00 0.00 H new ATOM 0 HA GLN p 24 9.799 -0.879 2.577 1.00 0.00 H new ATOM 0 HB2 GLN p 24 7.879 -0.190 3.730 1.00 0.00 H new ATOM 0 HB3 GLN p 24 6.808 -1.175 2.754 1.00 0.00 H new ATOM 0 HG2 GLN p 24 6.744 -2.598 4.456 1.00 0.00 H new ATOM 0 HG3 GLN p 24 8.377 -3.062 4.023 1.00 0.00 H new ATOM 0 HE21 GLN p 24 10.170 -2.238 5.196 1.00 0.00 H new ATOM 0 HE22 GLN p 24 9.957 -1.496 6.785 1.00 0.00 H new ATOM 395 N LEU p 25 8.351 -3.295 0.964 1.00 0.00 N ATOM 396 CA LEU p 25 8.376 -4.667 0.457 1.00 0.00 C ATOM 397 C LEU p 25 9.612 -4.812 -0.396 1.00 0.00 C ATOM 398 O LEU p 25 10.389 -5.732 -0.249 1.00 0.00 O ATOM 399 CB LEU p 25 7.099 -4.867 -0.374 1.00 0.00 C ATOM 400 CG LEU p 25 6.822 -6.261 -0.928 1.00 0.00 C ATOM 401 CD1 LEU p 25 5.332 -6.450 -1.034 1.00 0.00 C ATOM 402 CD2 LEU p 25 7.464 -6.427 -2.297 1.00 0.00 C ATOM 0 H LEU p 25 7.638 -2.727 0.507 1.00 0.00 H new ATOM 0 HA LEU p 25 8.406 -5.412 1.252 1.00 0.00 H new ATOM 0 HB2 LEU p 25 6.249 -4.577 0.243 1.00 0.00 H new ATOM 0 HB3 LEU p 25 7.134 -4.174 -1.214 1.00 0.00 H new ATOM 0 HG LEU p 25 7.247 -7.009 -0.259 1.00 0.00 H new ATOM 0 HD11 LEU p 25 5.118 -7.443 -1.429 1.00 0.00 H new ATOM 0 HD12 LEU p 25 4.881 -6.347 -0.047 1.00 0.00 H new ATOM 0 HD13 LEU p 25 4.916 -5.696 -1.703 1.00 0.00 H new ATOM 0 HD21 LEU p 25 7.256 -7.427 -2.677 1.00 0.00 H new ATOM 0 HD22 LEU p 25 7.055 -5.686 -2.983 1.00 0.00 H new ATOM 0 HD23 LEU p 25 8.542 -6.287 -2.213 1.00 0.00 H new ATOM 414 N GLU p 26 9.702 -3.861 -1.309 1.00 0.00 N ATOM 415 CA GLU p 26 10.823 -3.645 -2.212 1.00 0.00 C ATOM 416 C GLU p 26 12.019 -3.225 -1.375 1.00 0.00 C ATOM 417 O GLU p 26 13.161 -3.272 -1.790 1.00 0.00 O ATOM 418 CB GLU p 26 10.460 -2.553 -3.215 1.00 0.00 C ATOM 419 CG GLU p 26 9.043 -2.674 -3.749 1.00 0.00 C ATOM 420 CD GLU p 26 8.973 -2.610 -5.262 1.00 0.00 C ATOM 421 OE1 GLU p 26 9.068 -3.676 -5.906 1.00 0.00 O ATOM 422 OE2 GLU p 26 8.826 -1.494 -5.803 1.00 0.00 O ATOM 0 H GLU p 26 8.955 -3.181 -1.449 1.00 0.00 H new ATOM 0 HA GLU p 26 11.061 -4.553 -2.766 1.00 0.00 H new ATOM 0 HB2 GLU p 26 10.580 -1.579 -2.740 1.00 0.00 H new ATOM 0 HB3 GLU p 26 11.160 -2.589 -4.050 1.00 0.00 H new ATOM 0 HG2 GLU p 26 8.612 -3.616 -3.410 1.00 0.00 H new ATOM 0 HG3 GLU p 26 8.433 -1.875 -3.328 1.00 0.00 H new ATOM 429 N LYS p 27 11.692 -2.738 -0.192 1.00 0.00 N ATOM 430 CA LYS p 27 12.709 -2.403 0.816 1.00 0.00 C ATOM 431 C LYS p 27 13.084 -3.690 1.528 1.00 0.00 C ATOM 432 O LYS p 27 14.180 -3.831 2.074 1.00 0.00 O ATOM 433 CB LYS p 27 12.233 -1.367 1.828 1.00 0.00 C ATOM 434 CG LYS p 27 12.785 0.034 1.591 1.00 0.00 C ATOM 435 CD LYS p 27 14.067 0.279 2.379 1.00 0.00 C ATOM 436 CE LYS p 27 14.603 1.688 2.165 1.00 0.00 C ATOM 437 NZ LYS p 27 15.220 1.855 0.818 1.00 0.00 N ATOM 0 H LYS p 27 10.732 -2.562 0.105 1.00 0.00 H new ATOM 0 HA LYS p 27 13.564 -1.955 0.310 1.00 0.00 H new ATOM 0 HB2 LYS p 27 11.144 -1.326 1.805 1.00 0.00 H new ATOM 0 HB3 LYS p 27 12.518 -1.694 2.828 1.00 0.00 H new ATOM 0 HG2 LYS p 27 12.980 0.173 0.528 1.00 0.00 H new ATOM 0 HG3 LYS p 27 12.036 0.773 1.877 1.00 0.00 H new ATOM 0 HD2 LYS p 27 13.877 0.120 3.440 1.00 0.00 H new ATOM 0 HD3 LYS p 27 14.823 -0.447 2.078 1.00 0.00 H new ATOM 0 HE2 LYS p 27 13.791 2.406 2.283 1.00 0.00 H new ATOM 0 HE3 LYS p 27 15.343 1.914 2.933 1.00 0.00 H new ATOM 0 HZ1 LYS p 27 15.571 2.828 0.715 1.00 0.00 H new ATOM 0 HZ2 LYS p 27 16.011 1.188 0.714 1.00 0.00 H new ATOM 0 HZ3 LYS p 27 14.508 1.665 0.084 1.00 0.00 H new ATOM 451 N GLU p 28 12.119 -4.619 1.522 1.00 0.00 N ATOM 452 CA GLU p 28 12.330 -5.966 2.082 1.00 0.00 C ATOM 453 C GLU p 28 12.845 -6.874 0.988 1.00 0.00 C ATOM 454 O GLU p 28 13.736 -7.703 1.201 1.00 0.00 O ATOM 455 CB GLU p 28 11.040 -6.587 2.634 1.00 0.00 C ATOM 456 CG GLU p 28 10.311 -5.725 3.629 1.00 0.00 C ATOM 457 CD GLU p 28 10.316 -6.297 5.032 1.00 0.00 C ATOM 458 OE1 GLU p 28 11.262 -5.999 5.792 1.00 0.00 O ATOM 459 OE2 GLU p 28 9.374 -7.043 5.373 1.00 0.00 O ATOM 0 H GLU p 28 11.187 -4.466 1.138 1.00 0.00 H new ATOM 0 HA GLU p 28 13.040 -5.865 2.903 1.00 0.00 H new ATOM 0 HB2 GLU p 28 10.371 -6.805 1.802 1.00 0.00 H new ATOM 0 HB3 GLU p 28 11.283 -7.539 3.106 1.00 0.00 H new ATOM 0 HG2 GLU p 28 10.767 -4.735 3.646 1.00 0.00 H new ATOM 0 HG3 GLU p 28 9.280 -5.595 3.300 1.00 0.00 H new ATOM 466 N LEU p 29 12.252 -6.688 -0.186 1.00 0.00 N ATOM 467 CA LEU p 29 12.585 -7.481 -1.371 1.00 0.00 C ATOM 468 C LEU p 29 13.729 -6.924 -2.191 1.00 0.00 C ATOM 469 O LEU p 29 14.723 -7.617 -2.432 1.00 0.00 O ATOM 470 CB LEU p 29 11.368 -7.601 -2.277 1.00 0.00 C ATOM 471 CG LEU p 29 10.476 -8.810 -2.059 1.00 0.00 C ATOM 472 CD1 LEU p 29 9.647 -8.665 -0.788 1.00 0.00 C ATOM 473 CD2 LEU p 29 9.591 -8.943 -3.269 1.00 0.00 C ATOM 0 H LEU p 29 11.529 -5.987 -0.346 1.00 0.00 H new ATOM 0 HA LEU p 29 12.902 -8.451 -0.988 1.00 0.00 H new ATOM 0 HB2 LEU p 29 10.762 -6.704 -2.154 1.00 0.00 H new ATOM 0 HB3 LEU p 29 11.713 -7.614 -3.311 1.00 0.00 H new ATOM 0 HG LEU p 29 11.083 -9.706 -1.932 1.00 0.00 H new ATOM 0 HD11 LEU p 29 9.019 -9.547 -0.661 1.00 0.00 H new ATOM 0 HD12 LEU p 29 10.311 -8.565 0.070 1.00 0.00 H new ATOM 0 HD13 LEU p 29 9.017 -7.779 -0.864 1.00 0.00 H new ATOM 0 HD21 LEU p 29 8.934 -9.804 -3.147 1.00 0.00 H new ATOM 0 HD22 LEU p 29 8.989 -8.041 -3.381 1.00 0.00 H new ATOM 0 HD23 LEU p 29 10.208 -9.080 -4.157 1.00 0.00 H new ATOM 791 N GLN p 51 2.397 -16.445 -4.598 1.00 0.00 N ATOM 792 CA GLN p 51 0.959 -16.311 -4.883 1.00 0.00 C ATOM 793 C GLN p 51 0.208 -15.479 -3.837 1.00 0.00 C ATOM 794 O GLN p 51 -0.968 -15.167 -4.026 1.00 0.00 O ATOM 795 CB GLN p 51 0.317 -17.699 -4.998 1.00 0.00 C ATOM 796 CG GLN p 51 0.668 -18.435 -6.283 1.00 0.00 C ATOM 797 CD GLN p 51 0.017 -19.801 -6.368 1.00 0.00 C ATOM 798 OE1 GLN p 51 -1.092 -19.943 -6.885 1.00 0.00 O ATOM 799 NE2 GLN p 51 0.704 -20.817 -5.859 1.00 0.00 N ATOM 0 HA GLN p 51 0.878 -15.775 -5.829 1.00 0.00 H new ATOM 0 HB2 GLN p 51 0.629 -18.305 -4.147 1.00 0.00 H new ATOM 0 HB3 GLN p 51 -0.766 -17.594 -4.935 1.00 0.00 H new ATOM 0 HG2 GLN p 51 0.357 -17.835 -7.138 1.00 0.00 H new ATOM 0 HG3 GLN p 51 1.750 -18.547 -6.349 1.00 0.00 H new ATOM 0 HE21 GLN p 51 1.620 -20.654 -5.440 1.00 0.00 H new ATOM 0 HE22 GLN p 51 0.316 -21.760 -5.887 1.00 0.00 H new ATOM 808 N ALA p 52 0.875 -15.146 -2.733 1.00 0.00 N ATOM 809 CA ALA p 52 0.252 -14.364 -1.661 1.00 0.00 C ATOM 810 C ALA p 52 0.789 -12.925 -1.596 1.00 0.00 C ATOM 811 O ALA p 52 0.291 -12.109 -0.823 1.00 0.00 O ATOM 812 CB ALA p 52 0.461 -15.082 -0.335 1.00 0.00 C ATOM 0 H ALA p 52 1.846 -15.404 -2.556 1.00 0.00 H new ATOM 0 HA ALA p 52 -0.814 -14.283 -1.874 1.00 0.00 H new ATOM 0 HB1 ALA p 52 0.000 -14.506 0.467 1.00 0.00 H new ATOM 0 HB2 ALA p 52 0.004 -16.071 -0.381 1.00 0.00 H new ATOM 0 HB3 ALA p 52 1.529 -15.184 -0.141 1.00 0.00 H new ATOM 818 N LEU p 53 1.825 -12.640 -2.388 1.00 0.00 N ATOM 819 CA LEU p 53 2.462 -11.340 -2.448 1.00 0.00 C ATOM 820 C LEU p 53 1.914 -10.525 -3.614 1.00 0.00 C ATOM 821 O LEU p 53 1.171 -9.567 -3.427 1.00 0.00 O ATOM 822 CB LEU p 53 3.968 -11.568 -2.584 1.00 0.00 C ATOM 823 CG LEU p 53 4.876 -10.382 -2.303 1.00 0.00 C ATOM 824 CD1 LEU p 53 6.176 -10.901 -1.744 1.00 0.00 C ATOM 825 CD2 LEU p 53 5.121 -9.597 -3.583 1.00 0.00 C ATOM 0 H LEU p 53 2.246 -13.326 -3.015 1.00 0.00 H new ATOM 0 HA LEU p 53 2.255 -10.770 -1.543 1.00 0.00 H new ATOM 0 HB2 LEU p 53 4.250 -12.377 -1.910 1.00 0.00 H new ATOM 0 HB3 LEU p 53 4.168 -11.914 -3.598 1.00 0.00 H new ATOM 0 HG LEU p 53 4.407 -9.712 -1.582 1.00 0.00 H new ATOM 0 HD11 LEU p 53 6.842 -10.064 -1.535 1.00 0.00 H new ATOM 0 HD12 LEU p 53 5.983 -11.449 -0.822 1.00 0.00 H new ATOM 0 HD13 LEU p 53 6.645 -11.566 -2.470 1.00 0.00 H new ATOM 0 HD21 LEU p 53 5.773 -8.749 -3.371 1.00 0.00 H new ATOM 0 HD22 LEU p 53 5.595 -10.244 -4.321 1.00 0.00 H new ATOM 0 HD23 LEU p 53 4.171 -9.235 -3.975 1.00 0.00 H new ATOM 837 N LYS p 54 2.268 -10.977 -4.822 1.00 0.00 N ATOM 838 CA LYS p 54 1.858 -10.343 -6.094 1.00 0.00 C ATOM 839 C LYS p 54 0.338 -10.348 -6.281 1.00 0.00 C ATOM 840 O LYS p 54 -0.188 -9.662 -7.154 1.00 0.00 O ATOM 841 CB LYS p 54 2.525 -11.053 -7.278 1.00 0.00 C ATOM 842 CG LYS p 54 4.012 -10.758 -7.417 1.00 0.00 C ATOM 843 CD LYS p 54 4.610 -11.462 -8.625 1.00 0.00 C ATOM 844 CE LYS p 54 6.089 -11.143 -8.781 1.00 0.00 C ATOM 845 NZ LYS p 54 6.676 -11.802 -9.980 1.00 0.00 N ATOM 0 H LYS p 54 2.854 -11.802 -4.953 1.00 0.00 H new ATOM 0 HA LYS p 54 2.184 -9.304 -6.054 1.00 0.00 H new ATOM 0 HB2 LYS p 54 2.387 -12.129 -7.168 1.00 0.00 H new ATOM 0 HB3 LYS p 54 2.019 -10.759 -8.197 1.00 0.00 H new ATOM 0 HG2 LYS p 54 4.163 -9.683 -7.510 1.00 0.00 H new ATOM 0 HG3 LYS p 54 4.533 -11.077 -6.514 1.00 0.00 H new ATOM 0 HD2 LYS p 54 4.478 -12.539 -8.522 1.00 0.00 H new ATOM 0 HD3 LYS p 54 4.075 -11.160 -9.525 1.00 0.00 H new ATOM 0 HE2 LYS p 54 6.221 -10.064 -8.859 1.00 0.00 H new ATOM 0 HE3 LYS p 54 6.626 -11.467 -7.889 1.00 0.00 H new ATOM 0 HZ1 LYS p 54 7.685 -11.560 -10.050 1.00 0.00 H new ATOM 0 HZ2 LYS p 54 6.573 -12.833 -9.895 1.00 0.00 H new ATOM 0 HZ3 LYS p 54 6.181 -11.474 -10.834 1.00 0.00 H new ATOM 859 N LYS p 55 -0.335 -11.147 -5.453 1.00 0.00 N ATOM 860 CA LYS p 55 -1.771 -11.289 -5.445 1.00 0.00 C ATOM 861 C LYS p 55 -2.368 -10.377 -4.393 1.00 0.00 C ATOM 862 O LYS p 55 -3.408 -9.761 -4.619 1.00 0.00 O ATOM 863 CB LYS p 55 -2.155 -12.739 -5.189 1.00 0.00 C ATOM 864 CG LYS p 55 -2.267 -13.571 -6.457 1.00 0.00 C ATOM 865 CD LYS p 55 -3.045 -14.855 -6.218 1.00 0.00 C ATOM 866 CE LYS p 55 -3.172 -15.675 -7.491 1.00 0.00 C ATOM 867 NZ LYS p 55 -3.942 -16.929 -7.268 1.00 0.00 N ATOM 0 H LYS p 55 0.128 -11.726 -4.753 1.00 0.00 H new ATOM 0 HA LYS p 55 -2.167 -11.002 -6.419 1.00 0.00 H new ATOM 0 HB2 LYS p 55 -1.413 -13.192 -4.531 1.00 0.00 H new ATOM 0 HB3 LYS p 55 -3.108 -12.766 -4.661 1.00 0.00 H new ATOM 0 HG2 LYS p 55 -2.759 -12.986 -7.234 1.00 0.00 H new ATOM 0 HG3 LYS p 55 -1.269 -13.812 -6.824 1.00 0.00 H new ATOM 0 HD2 LYS p 55 -2.545 -15.447 -5.451 1.00 0.00 H new ATOM 0 HD3 LYS p 55 -4.038 -14.615 -5.838 1.00 0.00 H new ATOM 0 HE2 LYS p 55 -3.664 -15.079 -8.260 1.00 0.00 H new ATOM 0 HE3 LYS p 55 -2.178 -15.921 -7.865 1.00 0.00 H new ATOM 0 HZ1 LYS p 55 -4.006 -17.460 -8.160 1.00 0.00 H new ATOM 0 HZ2 LYS p 55 -3.460 -17.510 -6.553 1.00 0.00 H new ATOM 0 HZ3 LYS p 55 -4.899 -16.694 -6.935 1.00 0.00 H new ATOM 881 N LYS p 56 -1.689 -10.306 -3.234 1.00 0.00 N ATOM 882 CA LYS p 56 -2.127 -9.414 -2.131 1.00 0.00 C ATOM 883 C LYS p 56 -1.753 -7.961 -2.452 1.00 0.00 C ATOM 884 O LYS p 56 -2.205 -7.015 -1.804 1.00 0.00 O ATOM 885 CB LYS p 56 -1.524 -9.831 -0.793 1.00 0.00 C ATOM 886 CG LYS p 56 -2.347 -10.886 -0.057 1.00 0.00 C ATOM 887 CD LYS p 56 -2.308 -10.685 1.451 1.00 0.00 C ATOM 888 CE LYS p 56 -3.311 -11.589 2.152 1.00 0.00 C ATOM 889 NZ LYS p 56 -3.381 -11.315 3.615 1.00 0.00 N ATOM 0 H LYS p 56 -0.847 -10.845 -3.032 1.00 0.00 H new ATOM 0 HA LYS p 56 -3.210 -9.498 -2.044 1.00 0.00 H new ATOM 0 HB2 LYS p 56 -0.519 -10.218 -0.961 1.00 0.00 H new ATOM 0 HB3 LYS p 56 -1.425 -8.951 -0.158 1.00 0.00 H new ATOM 0 HG2 LYS p 56 -3.380 -10.846 -0.402 1.00 0.00 H new ATOM 0 HG3 LYS p 56 -1.967 -11.878 -0.301 1.00 0.00 H new ATOM 0 HD2 LYS p 56 -1.305 -10.893 1.823 1.00 0.00 H new ATOM 0 HD3 LYS p 56 -2.526 -9.643 1.688 1.00 0.00 H new ATOM 0 HE2 LYS p 56 -4.297 -11.449 1.709 1.00 0.00 H new ATOM 0 HE3 LYS p 56 -3.035 -12.631 1.991 1.00 0.00 H new ATOM 0 HZ1 LYS p 56 -4.076 -11.952 4.055 1.00 0.00 H new ATOM 0 HZ2 LYS p 56 -2.446 -11.473 4.043 1.00 0.00 H new ATOM 0 HZ3 LYS p 56 -3.670 -10.328 3.770 1.00 0.00 H new ATOM 903 N LEU p 57 -0.911 -7.845 -3.477 1.00 0.00 N ATOM 904 CA LEU p 57 -0.415 -6.601 -4.033 1.00 0.00 C ATOM 905 C LEU p 57 -1.334 -6.240 -5.164 1.00 0.00 C ATOM 906 O LEU p 57 -1.714 -5.085 -5.349 1.00 0.00 O ATOM 907 CB LEU p 57 0.999 -6.798 -4.568 1.00 0.00 C ATOM 908 CG LEU p 57 2.150 -6.330 -3.681 1.00 0.00 C ATOM 909 CD1 LEU p 57 2.142 -7.036 -2.330 1.00 0.00 C ATOM 910 CD2 LEU p 57 3.446 -6.594 -4.414 1.00 0.00 C ATOM 0 H LEU p 57 -0.541 -8.662 -3.963 1.00 0.00 H new ATOM 0 HA LEU p 57 -0.387 -5.817 -3.276 1.00 0.00 H new ATOM 0 HB2 LEU p 57 1.139 -7.860 -4.771 1.00 0.00 H new ATOM 0 HB3 LEU p 57 1.075 -6.278 -5.523 1.00 0.00 H new ATOM 0 HG LEU p 57 2.040 -5.265 -3.479 1.00 0.00 H new ATOM 0 HD11 LEU p 57 2.976 -6.677 -1.727 1.00 0.00 H new ATOM 0 HD12 LEU p 57 1.205 -6.826 -1.815 1.00 0.00 H new ATOM 0 HD13 LEU p 57 2.240 -8.111 -2.481 1.00 0.00 H new ATOM 0 HD21 LEU p 57 4.285 -6.267 -3.799 1.00 0.00 H new ATOM 0 HD22 LEU p 57 3.539 -7.661 -4.617 1.00 0.00 H new ATOM 0 HD23 LEU p 57 3.450 -6.044 -5.355 1.00 0.00 H new ATOM 922 N ALA p 58 -1.654 -7.289 -5.935 1.00 0.00 N ATOM 923 CA ALA p 58 -2.618 -7.182 -7.054 1.00 0.00 C ATOM 924 C ALA p 58 -4.017 -6.880 -6.507 1.00 0.00 C ATOM 925 O ALA p 58 -4.901 -6.408 -7.228 1.00 0.00 O ATOM 926 CB ALA p 58 -2.651 -8.452 -7.889 1.00 0.00 C ATOM 0 H ALA p 58 -1.263 -8.223 -5.809 1.00 0.00 H new ATOM 0 HA ALA p 58 -2.292 -6.367 -7.700 1.00 0.00 H new ATOM 0 HB1 ALA p 58 -3.370 -8.336 -8.700 1.00 0.00 H new ATOM 0 HB2 ALA p 58 -1.661 -8.640 -8.305 1.00 0.00 H new ATOM 0 HB3 ALA p 58 -2.946 -9.293 -7.261 1.00 0.00 H new ATOM 932 N GLN p 59 -4.176 -7.173 -5.211 1.00 0.00 N ATOM 933 CA GLN p 59 -5.380 -6.936 -4.460 1.00 0.00 C ATOM 934 C GLN p 59 -5.257 -5.575 -3.776 1.00 0.00 C ATOM 935 O GLN p 59 -6.250 -4.948 -3.445 1.00 0.00 O ATOM 936 CB GLN p 59 -5.526 -8.070 -3.445 1.00 0.00 C ATOM 937 CG GLN p 59 -6.441 -7.765 -2.284 1.00 0.00 C ATOM 938 CD GLN p 59 -7.518 -8.812 -2.083 1.00 0.00 C ATOM 939 OE1 GLN p 59 -8.610 -8.711 -2.642 1.00 0.00 O ATOM 940 NE2 GLN p 59 -7.215 -9.827 -1.281 1.00 0.00 N ATOM 0 H GLN p 59 -3.435 -7.596 -4.652 1.00 0.00 H new ATOM 0 HA GLN p 59 -6.266 -6.919 -5.095 1.00 0.00 H new ATOM 0 HB2 GLN p 59 -5.899 -8.955 -3.961 1.00 0.00 H new ATOM 0 HB3 GLN p 59 -4.539 -8.320 -3.056 1.00 0.00 H new ATOM 0 HG2 GLN p 59 -5.848 -7.684 -1.373 1.00 0.00 H new ATOM 0 HG3 GLN p 59 -6.912 -6.795 -2.445 1.00 0.00 H new ATOM 0 HE21 GLN p 59 -6.297 -9.871 -0.838 1.00 0.00 H new ATOM 0 HE22 GLN p 59 -7.900 -10.563 -1.108 1.00 0.00 H new ATOM 949 N LEU p 60 -4.001 -5.176 -3.565 1.00 0.00 N ATOM 950 CA LEU p 60 -3.628 -3.892 -2.959 1.00 0.00 C ATOM 951 C LEU p 60 -3.576 -2.810 -4.049 1.00 0.00 C ATOM 952 O LEU p 60 -3.469 -1.616 -3.779 1.00 0.00 O ATOM 953 CB LEU p 60 -2.259 -4.031 -2.265 1.00 0.00 C ATOM 954 CG LEU p 60 -1.783 -2.857 -1.386 1.00 0.00 C ATOM 955 CD1 LEU p 60 -0.868 -1.958 -2.193 1.00 0.00 C ATOM 956 CD2 LEU p 60 -2.957 -2.061 -0.834 1.00 0.00 C ATOM 0 H LEU p 60 -3.195 -5.748 -3.816 1.00 0.00 H new ATOM 0 HA LEU p 60 -4.369 -3.603 -2.214 1.00 0.00 H new ATOM 0 HB2 LEU p 60 -2.286 -4.926 -1.644 1.00 0.00 H new ATOM 0 HB3 LEU p 60 -1.507 -4.200 -3.036 1.00 0.00 H new ATOM 0 HG LEU p 60 -1.236 -3.265 -0.536 1.00 0.00 H new ATOM 0 HD11 LEU p 60 -0.532 -1.128 -1.571 1.00 0.00 H new ATOM 0 HD12 LEU p 60 -0.004 -2.529 -2.534 1.00 0.00 H new ATOM 0 HD13 LEU p 60 -1.409 -1.569 -3.056 1.00 0.00 H new ATOM 0 HD21 LEU p 60 -2.584 -1.242 -0.219 1.00 0.00 H new ATOM 0 HD22 LEU p 60 -3.543 -1.658 -1.660 1.00 0.00 H new ATOM 0 HD23 LEU p 60 -3.585 -2.713 -0.227 1.00 0.00 H new ATOM 968 N LYS p 61 -3.642 -3.310 -5.269 1.00 0.00 N ATOM 969 CA LYS p 61 -3.643 -2.552 -6.507 1.00 0.00 C ATOM 970 C LYS p 61 -5.092 -2.373 -6.901 1.00 0.00 C ATOM 971 O LYS p 61 -5.492 -1.374 -7.505 1.00 0.00 O ATOM 972 CB LYS p 61 -2.869 -3.325 -7.577 1.00 0.00 C ATOM 973 CG LYS p 61 -1.456 -2.812 -7.815 1.00 0.00 C ATOM 974 CD LYS p 61 -1.396 -1.847 -8.991 1.00 0.00 C ATOM 975 CE LYS p 61 0.006 -1.289 -9.182 1.00 0.00 C ATOM 976 NZ LYS p 61 0.081 -0.361 -10.345 1.00 0.00 N ATOM 0 H LYS p 61 -3.700 -4.315 -5.432 1.00 0.00 H new ATOM 0 HA LYS p 61 -3.161 -1.581 -6.393 1.00 0.00 H new ATOM 0 HB2 LYS p 61 -2.819 -4.374 -7.287 1.00 0.00 H new ATOM 0 HB3 LYS p 61 -3.423 -3.280 -8.515 1.00 0.00 H new ATOM 0 HG2 LYS p 61 -1.094 -2.313 -6.916 1.00 0.00 H new ATOM 0 HG3 LYS p 61 -0.790 -3.654 -8.002 1.00 0.00 H new ATOM 0 HD2 LYS p 61 -1.712 -2.359 -9.900 1.00 0.00 H new ATOM 0 HD3 LYS p 61 -2.096 -1.028 -8.827 1.00 0.00 H new ATOM 0 HE2 LYS p 61 0.314 -0.764 -8.278 1.00 0.00 H new ATOM 0 HE3 LYS p 61 0.707 -2.111 -9.328 1.00 0.00 H new ATOM 0 HZ1 LYS p 61 1.053 -0.003 -10.441 1.00 0.00 H new ATOM 0 HZ2 LYS p 61 -0.188 -0.868 -11.212 1.00 0.00 H new ATOM 0 HZ3 LYS p 61 -0.569 0.437 -10.195 1.00 0.00 H new ATOM 990 N TRP p 62 -5.857 -3.403 -6.522 1.00 0.00 N ATOM 991 CA TRP p 62 -7.295 -3.455 -6.706 1.00 0.00 C ATOM 992 C TRP p 62 -7.932 -2.760 -5.518 1.00 0.00 C ATOM 993 O TRP p 62 -9.015 -2.178 -5.624 1.00 0.00 O ATOM 994 CB TRP p 62 -7.782 -4.900 -6.812 1.00 0.00 C ATOM 995 CG TRP p 62 -8.625 -5.157 -8.028 1.00 0.00 C ATOM 996 CD1 TRP p 62 -8.194 -5.645 -9.230 1.00 0.00 C ATOM 997 CD2 TRP p 62 -10.038 -4.940 -8.166 1.00 0.00 C ATOM 998 NE1 TRP p 62 -9.249 -5.747 -10.103 1.00 0.00 N ATOM 999 CE2 TRP p 62 -10.391 -5.321 -9.476 1.00 0.00 C ATOM 1000 CE3 TRP p 62 -11.044 -4.464 -7.312 1.00 0.00 C ATOM 1001 CZ2 TRP p 62 -11.698 -5.241 -9.950 1.00 0.00 C ATOM 1002 CZ3 TRP p 62 -12.340 -4.385 -7.786 1.00 0.00 C ATOM 1003 CH2 TRP p 62 -12.657 -4.772 -9.093 1.00 0.00 C ATOM 0 H TRP p 62 -5.478 -4.235 -6.071 1.00 0.00 H new ATOM 0 HA TRP p 62 -7.574 -2.957 -7.634 1.00 0.00 H new ATOM 0 HB2 TRP p 62 -6.919 -5.566 -6.830 1.00 0.00 H new ATOM 0 HB3 TRP p 62 -8.358 -5.148 -5.920 1.00 0.00 H new ATOM 0 HD1 TRP p 62 -7.173 -5.911 -9.459 1.00 0.00 H new ATOM 0 HE1 TRP p 62 -9.192 -6.085 -11.064 1.00 0.00 H new ATOM 0 HE3 TRP p 62 -10.810 -4.164 -6.301 1.00 0.00 H new ATOM 0 HZ2 TRP p 62 -11.946 -5.538 -10.958 1.00 0.00 H new ATOM 0 HZ3 TRP p 62 -13.121 -4.018 -7.137 1.00 0.00 H new ATOM 0 HH2 TRP p 62 -13.680 -4.699 -9.433 1.00 0.00 H new ATOM 1014 N LYS p 63 -7.223 -2.836 -4.376 1.00 0.00 N ATOM 1015 CA LYS p 63 -7.656 -2.142 -3.151 1.00 0.00 C ATOM 1016 C LYS p 63 -7.222 -0.677 -3.221 1.00 0.00 C ATOM 1017 O LYS p 63 -7.665 0.152 -2.431 1.00 0.00 O ATOM 1018 CB LYS p 63 -7.097 -2.793 -1.883 1.00 0.00 C ATOM 1019 CG LYS p 63 -8.027 -3.827 -1.251 1.00 0.00 C ATOM 1020 CD LYS p 63 -9.014 -3.186 -0.283 1.00 0.00 C ATOM 1021 CE LYS p 63 -9.933 -4.221 0.346 1.00 0.00 C ATOM 1022 NZ LYS p 63 -10.912 -3.600 1.281 1.00 0.00 N ATOM 0 H LYS p 63 -6.357 -3.365 -4.277 1.00 0.00 H new ATOM 0 HA LYS p 63 -8.742 -2.213 -3.094 1.00 0.00 H new ATOM 0 HB2 LYS p 63 -6.147 -3.272 -2.122 1.00 0.00 H new ATOM 0 HB3 LYS p 63 -6.886 -2.014 -1.150 1.00 0.00 H new ATOM 0 HG2 LYS p 63 -8.575 -4.350 -2.035 1.00 0.00 H new ATOM 0 HG3 LYS p 63 -7.434 -4.574 -0.723 1.00 0.00 H new ATOM 0 HD2 LYS p 63 -8.467 -2.660 0.500 1.00 0.00 H new ATOM 0 HD3 LYS p 63 -9.610 -2.442 -0.810 1.00 0.00 H new ATOM 0 HE2 LYS p 63 -10.469 -4.755 -0.439 1.00 0.00 H new ATOM 0 HE3 LYS p 63 -9.336 -4.958 0.883 1.00 0.00 H new ATOM 0 HZ1 LYS p 63 -11.520 -4.339 1.689 1.00 0.00 H new ATOM 0 HZ2 LYS p 63 -10.401 -3.112 2.044 1.00 0.00 H new ATOM 0 HZ3 LYS p 63 -11.499 -2.915 0.764 1.00 0.00 H new ATOM 1036 N LEU p 64 -6.318 -0.410 -4.179 1.00 0.00 N ATOM 1037 CA LEU p 64 -5.778 0.916 -4.472 1.00 0.00 C ATOM 1038 C LEU p 64 -6.739 1.693 -5.372 1.00 0.00 C ATOM 1039 O LEU p 64 -6.775 2.915 -5.372 1.00 0.00 O ATOM 1040 CB LEU p 64 -4.419 0.744 -5.168 1.00 0.00 C ATOM 1041 CG LEU p 64 -3.963 1.886 -6.074 1.00 0.00 C ATOM 1042 CD1 LEU p 64 -3.659 3.106 -5.242 1.00 0.00 C ATOM 1043 CD2 LEU p 64 -2.770 1.455 -6.900 1.00 0.00 C ATOM 0 H LEU p 64 -5.936 -1.136 -4.785 1.00 0.00 H new ATOM 0 HA LEU p 64 -5.653 1.478 -3.547 1.00 0.00 H new ATOM 0 HB2 LEU p 64 -3.660 0.595 -4.400 1.00 0.00 H new ATOM 0 HB3 LEU p 64 -4.454 -0.169 -5.763 1.00 0.00 H new ATOM 0 HG LEU p 64 -4.763 2.144 -6.768 1.00 0.00 H new ATOM 0 HD11 LEU p 64 -3.334 3.918 -5.892 1.00 0.00 H new ATOM 0 HD12 LEU p 64 -4.555 3.410 -4.701 1.00 0.00 H new ATOM 0 HD13 LEU p 64 -2.868 2.873 -4.530 1.00 0.00 H new ATOM 0 HD21 LEU p 64 -2.455 2.278 -7.541 1.00 0.00 H new ATOM 0 HD22 LEU p 64 -1.950 1.177 -6.238 1.00 0.00 H new ATOM 0 HD23 LEU p 64 -3.045 0.599 -7.517 1.00 0.00 H new ATOM 1055 N GLN p 65 -7.429 0.910 -6.168 1.00 0.00 N ATOM 1056 CA GLN p 65 -8.456 1.305 -7.102 1.00 0.00 C ATOM 1057 C GLN p 65 -9.755 1.397 -6.309 1.00 0.00 C ATOM 1058 O GLN p 65 -10.732 2.006 -6.728 1.00 0.00 O ATOM 1059 CB GLN p 65 -8.518 0.233 -8.201 1.00 0.00 C ATOM 1060 CG GLN p 65 -9.858 0.104 -8.893 1.00 0.00 C ATOM 1061 CD GLN p 65 -9.747 0.078 -10.406 1.00 0.00 C ATOM 1062 OE1 GLN p 65 -9.776 1.119 -11.061 1.00 0.00 O ATOM 1063 NE2 GLN p 65 -9.621 -1.119 -10.968 1.00 0.00 N ATOM 0 H GLN p 65 -7.274 -0.098 -6.180 1.00 0.00 H new ATOM 0 HA GLN p 65 -8.265 2.266 -7.579 1.00 0.00 H new ATOM 0 HB2 GLN p 65 -7.759 0.458 -8.950 1.00 0.00 H new ATOM 0 HB3 GLN p 65 -8.258 -0.731 -7.763 1.00 0.00 H new ATOM 0 HG2 GLN p 65 -10.348 -0.809 -8.555 1.00 0.00 H new ATOM 0 HG3 GLN p 65 -10.495 0.937 -8.596 1.00 0.00 H new ATOM 0 HE21 GLN p 65 -9.602 -1.956 -10.386 1.00 0.00 H new ATOM 0 HE22 GLN p 65 -9.544 -1.201 -11.982 1.00 0.00 H new ATOM 1072 N ALA p 66 -9.690 0.735 -5.156 1.00 0.00 N ATOM 1073 CA ALA p 66 -10.750 0.692 -4.154 1.00 0.00 C ATOM 1074 C ALA p 66 -10.433 1.778 -3.149 1.00 0.00 C ATOM 1075 O ALA p 66 -11.279 2.204 -2.368 1.00 0.00 O ATOM 1076 CB ALA p 66 -10.834 -0.667 -3.478 1.00 0.00 C ATOM 0 H ALA p 66 -8.868 0.195 -4.885 1.00 0.00 H new ATOM 0 HA ALA p 66 -11.722 0.854 -4.620 1.00 0.00 H new ATOM 0 HB1 ALA p 66 -11.635 -0.657 -2.739 1.00 0.00 H new ATOM 0 HB2 ALA p 66 -11.039 -1.433 -4.226 1.00 0.00 H new ATOM 0 HB3 ALA p 66 -9.888 -0.887 -2.984 1.00 0.00 H new ATOM 1082 N LEU p 67 -9.149 2.177 -3.200 1.00 0.00 N ATOM 1083 CA LEU p 67 -8.582 3.263 -2.412 1.00 0.00 C ATOM 1084 C LEU p 67 -8.805 4.525 -3.235 1.00 0.00 C ATOM 1085 O LEU p 67 -9.151 5.579 -2.719 1.00 0.00 O ATOM 1086 CB LEU p 67 -7.072 3.004 -2.176 1.00 0.00 C ATOM 1087 CG LEU p 67 -6.248 4.025 -1.345 1.00 0.00 C ATOM 1088 CD1 LEU p 67 -5.130 4.585 -2.203 1.00 0.00 C ATOM 1089 CD2 LEU p 67 -7.101 5.160 -0.818 1.00 0.00 C ATOM 0 H LEU p 67 -8.465 1.733 -3.812 1.00 0.00 H new ATOM 0 HA LEU p 67 -9.046 3.352 -1.430 1.00 0.00 H new ATOM 0 HB2 LEU p 67 -6.978 2.033 -1.689 1.00 0.00 H new ATOM 0 HB3 LEU p 67 -6.597 2.918 -3.153 1.00 0.00 H new ATOM 0 HG LEU p 67 -5.840 3.497 -0.483 1.00 0.00 H new ATOM 0 HD11 LEU p 67 -4.550 5.302 -1.622 1.00 0.00 H new ATOM 0 HD12 LEU p 67 -4.481 3.773 -2.530 1.00 0.00 H new ATOM 0 HD13 LEU p 67 -5.555 5.083 -3.075 1.00 0.00 H new ATOM 0 HD21 LEU p 67 -6.479 5.847 -0.244 1.00 0.00 H new ATOM 0 HD22 LEU p 67 -7.554 5.693 -1.654 1.00 0.00 H new ATOM 0 HD23 LEU p 67 -7.885 4.758 -0.176 1.00 0.00 H new ATOM 1101 N LYS p 68 -8.598 4.348 -4.534 1.00 0.00 N ATOM 1102 CA LYS p 68 -8.805 5.386 -5.544 1.00 0.00 C ATOM 1103 C LYS p 68 -10.291 5.553 -5.767 1.00 0.00 C ATOM 1104 O LYS p 68 -10.745 6.618 -6.170 1.00 0.00 O ATOM 1105 CB LYS p 68 -8.101 5.071 -6.863 1.00 0.00 C ATOM 1106 CG LYS p 68 -6.658 5.544 -6.911 1.00 0.00 C ATOM 1107 CD LYS p 68 -6.039 5.308 -8.279 1.00 0.00 C ATOM 1108 CE LYS p 68 -4.637 5.887 -8.364 1.00 0.00 C ATOM 1109 NZ LYS p 68 -4.025 5.667 -9.704 1.00 0.00 N ATOM 0 H LYS p 68 -8.275 3.463 -4.925 1.00 0.00 H new ATOM 0 HA LYS p 68 -8.367 6.313 -5.175 1.00 0.00 H new ATOM 0 HB2 LYS p 68 -8.127 3.994 -7.031 1.00 0.00 H new ATOM 0 HB3 LYS p 68 -8.654 5.535 -7.680 1.00 0.00 H new ATOM 0 HG2 LYS p 68 -6.614 6.606 -6.669 1.00 0.00 H new ATOM 0 HG3 LYS p 68 -6.077 5.020 -6.152 1.00 0.00 H new ATOM 0 HD2 LYS p 68 -6.005 4.238 -8.484 1.00 0.00 H new ATOM 0 HD3 LYS p 68 -6.667 5.760 -9.047 1.00 0.00 H new ATOM 0 HE2 LYS p 68 -4.672 6.956 -8.152 1.00 0.00 H new ATOM 0 HE3 LYS p 68 -4.009 5.431 -7.599 1.00 0.00 H new ATOM 0 HZ1 LYS p 68 -3.069 6.077 -9.721 1.00 0.00 H new ATOM 0 HZ2 LYS p 68 -3.968 4.647 -9.896 1.00 0.00 H new ATOM 0 HZ3 LYS p 68 -4.610 6.124 -10.432 1.00 0.00 H new ATOM 1123 N LYS p 69 -11.031 4.456 -5.523 1.00 0.00 N ATOM 1124 CA LYS p 69 -12.493 4.481 -5.569 1.00 0.00 C ATOM 1125 C LYS p 69 -12.974 5.005 -4.222 1.00 0.00 C ATOM 1126 O LYS p 69 -14.122 5.420 -4.062 1.00 0.00 O ATOM 1127 CB LYS p 69 -13.072 3.097 -5.837 1.00 0.00 C ATOM 1128 CG LYS p 69 -13.676 2.932 -7.224 1.00 0.00 C ATOM 1129 CD LYS p 69 -15.170 3.223 -7.228 1.00 0.00 C ATOM 1130 CE LYS p 69 -15.773 3.031 -8.610 1.00 0.00 C ATOM 1131 NZ LYS p 69 -17.240 3.286 -8.618 1.00 0.00 N ATOM 0 H LYS p 69 -10.635 3.545 -5.293 1.00 0.00 H new ATOM 0 HA LYS p 69 -12.828 5.122 -6.385 1.00 0.00 H new ATOM 0 HB2 LYS p 69 -12.285 2.354 -5.705 1.00 0.00 H new ATOM 0 HB3 LYS p 69 -13.839 2.885 -5.092 1.00 0.00 H new ATOM 0 HG2 LYS p 69 -13.173 3.602 -7.921 1.00 0.00 H new ATOM 0 HG3 LYS p 69 -13.503 1.916 -7.577 1.00 0.00 H new ATOM 0 HD2 LYS p 69 -15.671 2.566 -6.517 1.00 0.00 H new ATOM 0 HD3 LYS p 69 -15.343 4.246 -6.894 1.00 0.00 H new ATOM 0 HE2 LYS p 69 -15.284 3.703 -9.315 1.00 0.00 H new ATOM 0 HE3 LYS p 69 -15.580 2.014 -8.952 1.00 0.00 H new ATOM 0 HZ1 LYS p 69 -17.612 3.144 -9.579 1.00 0.00 H new ATOM 0 HZ2 LYS p 69 -17.710 2.628 -7.964 1.00 0.00 H new ATOM 0 HZ3 LYS p 69 -17.424 4.264 -8.317 1.00 0.00 H new ATOM 1145 N LYS p 70 -12.035 4.949 -3.262 1.00 0.00 N ATOM 1146 CA LYS p 70 -12.213 5.458 -1.911 1.00 0.00 C ATOM 1147 C LYS p 70 -11.709 6.892 -1.892 1.00 0.00 C ATOM 1148 O LYS p 70 -12.074 7.686 -1.028 1.00 0.00 O ATOM 1149 CB LYS p 70 -11.443 4.620 -0.900 1.00 0.00 C ATOM 1150 CG LYS p 70 -12.318 3.872 0.095 1.00 0.00 C ATOM 1151 CD LYS p 70 -12.127 4.398 1.507 1.00 0.00 C ATOM 1152 CE LYS p 70 -12.989 3.642 2.504 1.00 0.00 C ATOM 1153 NZ LYS p 70 -12.801 4.145 3.892 1.00 0.00 N ATOM 0 H LYS p 70 -11.115 4.538 -3.417 1.00 0.00 H new ATOM 0 HA LYS p 70 -13.266 5.411 -1.634 1.00 0.00 H new ATOM 0 HB2 LYS p 70 -10.828 3.899 -1.438 1.00 0.00 H new ATOM 0 HB3 LYS p 70 -10.763 5.271 -0.350 1.00 0.00 H new ATOM 0 HG2 LYS p 70 -13.365 3.970 -0.193 1.00 0.00 H new ATOM 0 HG3 LYS p 70 -12.078 2.809 0.066 1.00 0.00 H new ATOM 0 HD2 LYS p 70 -11.078 4.310 1.791 1.00 0.00 H new ATOM 0 HD3 LYS p 70 -12.377 5.458 1.538 1.00 0.00 H new ATOM 0 HE2 LYS p 70 -14.038 3.736 2.222 1.00 0.00 H new ATOM 0 HE3 LYS p 70 -12.743 2.581 2.466 1.00 0.00 H new ATOM 0 HZ1 LYS p 70 -13.406 3.604 4.542 1.00 0.00 H new ATOM 0 HZ2 LYS p 70 -11.805 4.032 4.170 1.00 0.00 H new ATOM 0 HZ3 LYS p 70 -13.060 5.151 3.935 1.00 0.00 H new ATOM 1167 N ASN p 71 -10.828 7.169 -2.867 1.00 0.00 N ATOM 1168 CA ASN p 71 -10.258 8.498 -3.099 1.00 0.00 C ATOM 1169 C ASN p 71 -11.164 9.221 -4.090 1.00 0.00 C ATOM 1170 O ASN p 71 -11.058 10.426 -4.291 1.00 0.00 O ATOM 1171 CB ASN p 71 -8.828 8.414 -3.643 1.00 0.00 C ATOM 1172 CG ASN p 71 -7.980 9.605 -3.233 1.00 0.00 C ATOM 1173 OD1 ASN p 71 -7.327 9.587 -2.189 1.00 0.00 O ATOM 1174 ND2 ASN p 71 -7.985 10.648 -4.056 1.00 0.00 N ATOM 0 H ASN p 71 -10.490 6.464 -3.522 1.00 0.00 H new ATOM 0 HA ASN p 71 -10.202 9.042 -2.156 1.00 0.00 H new ATOM 0 HB2 ASN p 71 -8.359 7.498 -3.284 1.00 0.00 H new ATOM 0 HB3 ASN p 71 -8.859 8.351 -4.731 1.00 0.00 H new ATOM 0 HD21 ASN p 71 -7.433 11.476 -3.833 1.00 0.00 H new ATOM 0 HD22 ASN p 71 -8.541 10.620 -4.911 1.00 0.00 H new ATOM 1181 N ALA p 72 -12.028 8.407 -4.722 1.00 0.00 N ATOM 1182 CA ALA p 72 -13.062 8.841 -5.654 1.00 0.00 C ATOM 1183 C ALA p 72 -14.310 9.027 -4.827 1.00 0.00 C ATOM 1184 O ALA p 72 -15.240 9.727 -5.209 1.00 0.00 O ATOM 1185 CB ALA p 72 -13.302 7.824 -6.760 1.00 0.00 C ATOM 0 H ALA p 72 -12.018 7.396 -4.587 1.00 0.00 H new ATOM 0 HA ALA p 72 -12.761 9.760 -6.156 1.00 0.00 H new ATOM 0 HB1 ALA p 72 -14.080 8.191 -7.429 1.00 0.00 H new ATOM 0 HB2 ALA p 72 -12.381 7.674 -7.323 1.00 0.00 H new ATOM 0 HB3 ALA p 72 -13.617 6.877 -6.322 1.00 0.00 H new ATOM 1191 N GLN p 73 -14.275 8.333 -3.673 1.00 0.00 N ATOM 1192 CA GLN p 73 -15.272 8.370 -2.653 1.00 0.00 C ATOM 1193 C GLN p 73 -14.956 9.570 -1.790 1.00 0.00 C ATOM 1194 O GLN p 73 -15.830 10.231 -1.249 1.00 0.00 O ATOM 1195 CB GLN p 73 -15.119 7.102 -1.856 1.00 0.00 C ATOM 1196 CG GLN p 73 -16.131 6.938 -0.775 1.00 0.00 C ATOM 1197 CD GLN p 73 -17.058 5.757 -0.985 1.00 0.00 C ATOM 1198 OE1 GLN p 73 -16.771 4.642 -0.547 1.00 0.00 O ATOM 1199 NE2 GLN p 73 -18.178 5.995 -1.658 1.00 0.00 N ATOM 0 H GLN p 73 -13.502 7.709 -3.442 1.00 0.00 H new ATOM 0 HA GLN p 73 -16.288 8.445 -3.041 1.00 0.00 H new ATOM 0 HB2 GLN p 73 -15.184 6.250 -2.533 1.00 0.00 H new ATOM 0 HB3 GLN p 73 -14.123 7.082 -1.413 1.00 0.00 H new ATOM 0 HG2 GLN p 73 -15.616 6.820 0.178 1.00 0.00 H new ATOM 0 HG3 GLN p 73 -16.726 7.848 -0.705 1.00 0.00 H new ATOM 0 HE21 GLN p 73 -18.376 6.934 -2.003 1.00 0.00 H new ATOM 0 HE22 GLN p 73 -18.840 5.239 -1.830 1.00 0.00 H new ATOM 1208 N LEU p 74 -13.644 9.755 -1.659 1.00 0.00 N ATOM 1209 CA LEU p 74 -13.035 10.875 -0.953 1.00 0.00 C ATOM 1210 C LEU p 74 -13.097 12.090 -1.858 1.00 0.00 C ATOM 1211 O LEU p 74 -13.156 13.204 -1.402 1.00 0.00 O ATOM 1212 CB LEU p 74 -11.587 10.554 -0.599 1.00 0.00 C ATOM 1213 CG LEU p 74 -10.971 11.331 0.567 1.00 0.00 C ATOM 1214 CD1 LEU p 74 -11.460 10.807 1.915 1.00 0.00 C ATOM 1215 CD2 LEU p 74 -9.466 11.229 0.470 1.00 0.00 C ATOM 0 H LEU p 74 -12.958 9.111 -2.053 1.00 0.00 H new ATOM 0 HA LEU p 74 -13.572 11.069 -0.024 1.00 0.00 H new ATOM 0 HB2 LEU p 74 -11.521 9.490 -0.370 1.00 0.00 H new ATOM 0 HB3 LEU p 74 -10.975 10.728 -1.484 1.00 0.00 H new ATOM 0 HG LEU p 74 -11.281 12.374 0.502 1.00 0.00 H new ATOM 0 HD11 LEU p 74 -11.001 11.384 2.718 1.00 0.00 H new ATOM 0 HD12 LEU p 74 -12.544 10.905 1.972 1.00 0.00 H new ATOM 0 HD13 LEU p 74 -11.185 9.757 2.019 1.00 0.00 H new ATOM 0 HD21 LEU p 74 -9.010 11.778 1.294 1.00 0.00 H new ATOM 0 HD22 LEU p 74 -9.168 10.182 0.523 1.00 0.00 H new ATOM 0 HD23 LEU p 74 -9.133 11.654 -0.477 1.00 0.00 H new ATOM 1227 N LYS p 75 -13.103 11.819 -3.160 1.00 0.00 N ATOM 1228 CA LYS p 75 -13.229 12.842 -4.195 1.00 0.00 C ATOM 1229 C LYS p 75 -14.705 13.126 -4.328 1.00 0.00 C ATOM 1230 O LYS p 75 -15.130 14.172 -4.827 1.00 0.00 O ATOM 1231 CB LYS p 75 -12.667 12.354 -5.525 1.00 0.00 C ATOM 1232 CG LYS p 75 -11.539 13.207 -6.082 1.00 0.00 C ATOM 1233 CD LYS p 75 -11.968 13.953 -7.334 1.00 0.00 C ATOM 1234 CE LYS p 75 -10.834 14.793 -7.898 1.00 0.00 C ATOM 1235 NZ LYS p 75 -11.243 15.525 -9.128 1.00 0.00 N ATOM 0 H LYS p 75 -13.020 10.872 -3.531 1.00 0.00 H new ATOM 0 HA LYS p 75 -12.667 13.736 -3.924 1.00 0.00 H new ATOM 0 HB2 LYS p 75 -12.306 11.333 -5.400 1.00 0.00 H new ATOM 0 HB3 LYS p 75 -13.475 12.320 -6.256 1.00 0.00 H new ATOM 0 HG2 LYS p 75 -11.214 13.921 -5.325 1.00 0.00 H new ATOM 0 HG3 LYS p 75 -10.682 12.574 -6.311 1.00 0.00 H new ATOM 0 HD2 LYS p 75 -12.303 13.240 -8.087 1.00 0.00 H new ATOM 0 HD3 LYS p 75 -12.818 14.595 -7.103 1.00 0.00 H new ATOM 0 HE2 LYS p 75 -10.502 15.507 -7.144 1.00 0.00 H new ATOM 0 HE3 LYS p 75 -9.984 14.150 -8.124 1.00 0.00 H new ATOM 0 HZ1 LYS p 75 -10.441 16.086 -9.481 1.00 0.00 H new ATOM 0 HZ2 LYS p 75 -11.536 14.843 -9.857 1.00 0.00 H new ATOM 0 HZ3 LYS p 75 -12.038 16.158 -8.907 1.00 0.00 H new ATOM 1249 N LYS p 76 -15.468 12.133 -3.852 1.00 0.00 N ATOM 1250 CA LYS p 76 -16.920 12.209 -3.805 1.00 0.00 C ATOM 1251 C LYS p 76 -17.312 12.824 -2.481 1.00 0.00 C ATOM 1252 O LYS p 76 -18.317 13.532 -2.377 1.00 0.00 O ATOM 1253 CB LYS p 76 -17.548 10.830 -3.956 1.00 0.00 C ATOM 1254 CG LYS p 76 -18.167 10.573 -5.321 1.00 0.00 C ATOM 1255 CD LYS p 76 -19.653 10.904 -5.339 1.00 0.00 C ATOM 1256 CE LYS p 76 -20.270 10.629 -6.700 1.00 0.00 C ATOM 1257 NZ LYS p 76 -21.730 10.918 -6.716 1.00 0.00 N ATOM 0 H LYS p 76 -15.089 11.258 -3.491 1.00 0.00 H new ATOM 0 HA LYS p 76 -17.282 12.821 -4.631 1.00 0.00 H new ATOM 0 HB2 LYS p 76 -16.786 10.074 -3.767 1.00 0.00 H new ATOM 0 HB3 LYS p 76 -18.316 10.707 -3.192 1.00 0.00 H new ATOM 0 HG2 LYS p 76 -17.652 11.172 -6.072 1.00 0.00 H new ATOM 0 HG3 LYS p 76 -18.024 9.527 -5.594 1.00 0.00 H new ATOM 0 HD2 LYS p 76 -20.167 10.314 -4.580 1.00 0.00 H new ATOM 0 HD3 LYS p 76 -19.796 11.953 -5.079 1.00 0.00 H new ATOM 0 HE2 LYS p 76 -19.771 11.237 -7.454 1.00 0.00 H new ATOM 0 HE3 LYS p 76 -20.103 9.586 -6.970 1.00 0.00 H new ATOM 0 HZ1 LYS p 76 -22.113 10.718 -7.662 1.00 0.00 H new ATOM 0 HZ2 LYS p 76 -22.210 10.319 -6.014 1.00 0.00 H new ATOM 0 HZ3 LYS p 76 -21.888 11.919 -6.483 1.00 0.00 H new ATOM 1271 N LYS p 77 -16.484 12.534 -1.469 1.00 0.00 N ATOM 1272 CA LYS p 77 -16.669 13.090 -0.136 1.00 0.00 C ATOM 1273 C LYS p 77 -15.987 14.449 -0.042 1.00 0.00 C ATOM 1274 O LYS p 77 -16.289 15.245 0.852 1.00 0.00 O ATOM 1275 CB LYS p 77 -16.116 12.144 0.926 1.00 0.00 C ATOM 1276 CG LYS p 77 -17.182 11.389 1.709 1.00 0.00 C ATOM 1277 CD LYS p 77 -17.581 12.129 2.979 1.00 0.00 C ATOM 1278 CE LYS p 77 -18.640 11.366 3.759 1.00 0.00 C ATOM 1279 NZ LYS p 77 -19.031 12.078 5.008 1.00 0.00 N ATOM 0 H LYS p 77 -15.678 11.914 -1.556 1.00 0.00 H new ATOM 0 HA LYS p 77 -17.737 13.215 0.044 1.00 0.00 H new ATOM 0 HB2 LYS p 77 -15.456 11.422 0.445 1.00 0.00 H new ATOM 0 HB3 LYS p 77 -15.506 12.717 1.625 1.00 0.00 H new ATOM 0 HG2 LYS p 77 -18.061 11.245 1.081 1.00 0.00 H new ATOM 0 HG3 LYS p 77 -16.809 10.398 1.968 1.00 0.00 H new ATOM 0 HD2 LYS p 77 -16.702 12.277 3.606 1.00 0.00 H new ATOM 0 HD3 LYS p 77 -17.959 13.118 2.721 1.00 0.00 H new ATOM 0 HE2 LYS p 77 -19.520 11.223 3.132 1.00 0.00 H new ATOM 0 HE3 LYS p 77 -18.263 10.375 4.009 1.00 0.00 H new ATOM 0 HZ1 LYS p 77 -19.755 11.525 5.511 1.00 0.00 H new ATOM 0 HZ2 LYS p 77 -18.197 12.192 5.618 1.00 0.00 H new ATOM 0 HZ3 LYS p 77 -19.415 13.014 4.768 1.00 0.00 H new ATOM 1293 N LEU p 78 -15.057 14.696 -0.981 1.00 0.00 N ATOM 1294 CA LEU p 78 -14.322 15.968 -1.059 1.00 0.00 C ATOM 1295 C LEU p 78 -15.255 17.174 -1.174 1.00 0.00 C ATOM 1296 O LEU p 78 -15.249 18.072 -0.326 1.00 0.00 O ATOM 1297 CB LEU p 78 -13.391 15.942 -2.277 1.00 0.00 C ATOM 1298 CG LEU p 78 -11.891 15.958 -1.988 1.00 0.00 C ATOM 1299 CD1 LEU p 78 -11.122 15.716 -3.270 1.00 0.00 C ATOM 1300 CD2 LEU p 78 -11.477 17.281 -1.370 1.00 0.00 C ATOM 0 H LEU p 78 -14.796 14.024 -1.702 1.00 0.00 H new ATOM 0 HA LEU p 78 -13.753 16.073 -0.135 1.00 0.00 H new ATOM 0 HB2 LEU p 78 -13.617 15.049 -2.860 1.00 0.00 H new ATOM 0 HB3 LEU p 78 -13.627 16.801 -2.905 1.00 0.00 H new ATOM 0 HG LEU p 78 -11.663 15.164 -1.277 1.00 0.00 H new ATOM 0 HD11 LEU p 78 -10.052 15.728 -3.060 1.00 0.00 H new ATOM 0 HD12 LEU p 78 -11.400 14.747 -3.683 1.00 0.00 H new ATOM 0 HD13 LEU p 78 -11.359 16.499 -3.990 1.00 0.00 H new ATOM 0 HD21 LEU p 78 -10.405 17.271 -1.172 1.00 0.00 H new ATOM 0 HD22 LEU p 78 -11.711 18.093 -2.058 1.00 0.00 H new ATOM 0 HD23 LEU p 78 -12.017 17.431 -0.435 1.00 0.00 H new ATOM 1312 N GLN p 79 -16.043 17.158 -2.238 1.00 0.00 N ATOM 1313 CA GLN p 79 -17.019 18.200 -2.542 1.00 0.00 C ATOM 1314 C GLN p 79 -18.319 18.012 -1.762 1.00 0.00 C ATOM 1315 O GLN p 79 -18.903 18.976 -1.259 1.00 0.00 O ATOM 1316 CB GLN p 79 -17.305 18.229 -4.053 1.00 0.00 C ATOM 1317 CG GLN p 79 -17.329 16.864 -4.744 1.00 0.00 C ATOM 1318 CD GLN p 79 -17.624 16.968 -6.228 1.00 0.00 C ATOM 1319 OE1 GLN p 79 -18.781 16.928 -6.646 1.00 0.00 O ATOM 1320 NE2 GLN p 79 -16.576 17.103 -7.032 1.00 0.00 N ATOM 0 H GLN p 79 -16.024 16.408 -2.929 1.00 0.00 H new ATOM 0 HA GLN p 79 -16.590 19.154 -2.235 1.00 0.00 H new ATOM 0 HB2 GLN p 79 -18.267 18.715 -4.214 1.00 0.00 H new ATOM 0 HB3 GLN p 79 -16.550 18.849 -4.536 1.00 0.00 H new ATOM 0 HG2 GLN p 79 -16.367 16.372 -4.602 1.00 0.00 H new ATOM 0 HG3 GLN p 79 -18.082 16.234 -4.271 1.00 0.00 H new ATOM 0 HE21 GLN p 79 -15.634 17.131 -6.642 1.00 0.00 H new ATOM 0 HE22 GLN p 79 -16.713 17.178 -8.040 1.00 0.00 H new ATOM 1329 N ALA p 80 -18.747 16.761 -1.678 1.00 0.00 N ATOM 1330 CA ALA p 80 -19.973 16.389 -0.972 1.00 0.00 C ATOM 1331 C ALA p 80 -19.671 15.913 0.450 1.00 0.00 C ATOM 1332 O ALA p 80 -20.127 16.581 1.402 1.00 0.00 O ATOM 1333 CB ALA p 80 -20.731 15.321 -1.750 1.00 0.00 C ATOM 1334 OXT ALA p 80 -18.974 14.887 0.601 1.00 0.00 O ATOM 0 H ALA p 80 -18.256 15.971 -2.097 1.00 0.00 H new ATOM 0 HA ALA p 80 -20.602 17.276 -0.897 1.00 0.00 H new ATOM 0 HB1 ALA p 80 -21.641 15.055 -1.211 1.00 0.00 H new ATOM 0 HB2 ALA p 80 -20.992 15.706 -2.736 1.00 0.00 H new ATOM 0 HB3 ALA p 80 -20.103 14.437 -1.860 1.00 0.00 H new