USER MOD reduce.3.24.130724 H: found=0, std=0, add=523, rem=0, adj=5 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 70 LYS NZ :NH3+ -171:sc= -0.384 (180deg=-0.000167) USER MOD Set 1.2: p 73 GLN : amide:sc= -0.403 K(o=-0.79,f=0) USER MOD Set 2.1: p 51 GLN : amide:sc= -1.29 K(o=-2.3,f=0.26) USER MOD Set 2.2: p 55 LYS NZ :NH3+ -152:sc= -1.06 (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 X(o=0,f=0) USER MOD Single : p 16 GLN : amide:sc= 0 X(o=0,f=0.14) USER MOD Single : p 20 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0368) 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 54 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+ 170:sc= -0.778 (180deg=-1.05) USER MOD Single : p 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : p 65 GLN : amide:sc= -0.41 K(o=-0.41,f=0.76) USER MOD Single : p 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : p 69 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0107) USER MOD Single : p 71 ASN : 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 -6.030 20.966 6.037 1.00 0.00 N ATOM 38 CA ALA p 3 -6.537 20.049 7.061 1.00 0.00 C ATOM 39 C ALA p 3 -6.992 18.728 6.462 1.00 0.00 C ATOM 40 O ALA p 3 -6.772 17.665 7.031 1.00 0.00 O ATOM 41 CB ALA p 3 -7.668 20.703 7.847 1.00 0.00 C ATOM 0 HA ALA p 3 -5.716 19.829 7.743 1.00 0.00 H new ATOM 0 HB1 ALA p 3 -8.034 20.009 8.604 1.00 0.00 H new ATOM 0 HB2 ALA p 3 -7.299 21.607 8.332 1.00 0.00 H new ATOM 0 HB3 ALA p 3 -8.481 20.961 7.168 1.00 0.00 H new ATOM 47 N LEU p 4 -7.674 18.854 5.332 1.00 0.00 N ATOM 48 CA LEU p 4 -8.229 17.763 4.571 1.00 0.00 C ATOM 49 C LEU p 4 -7.264 17.371 3.467 1.00 0.00 C ATOM 50 O LEU p 4 -6.772 16.251 3.413 1.00 0.00 O ATOM 51 CB LEU p 4 -9.570 18.234 3.997 1.00 0.00 C ATOM 52 CG LEU p 4 -10.541 17.162 3.519 1.00 0.00 C ATOM 53 CD1 LEU p 4 -11.933 17.740 3.555 1.00 0.00 C ATOM 54 CD2 LEU p 4 -10.195 16.708 2.108 1.00 0.00 C ATOM 0 H LEU p 4 -7.859 19.764 4.909 1.00 0.00 H new ATOM 0 HA LEU p 4 -8.388 16.885 5.196 1.00 0.00 H new ATOM 0 HB2 LEU p 4 -10.073 18.829 4.760 1.00 0.00 H new ATOM 0 HB3 LEU p 4 -9.363 18.899 3.159 1.00 0.00 H new ATOM 0 HG LEU p 4 -10.476 16.290 4.170 1.00 0.00 H new ATOM 0 HD11 LEU p 4 -12.647 16.990 3.216 1.00 0.00 H new ATOM 0 HD12 LEU p 4 -12.177 18.039 4.575 1.00 0.00 H new ATOM 0 HD13 LEU p 4 -11.983 18.610 2.900 1.00 0.00 H new ATOM 0 HD21 LEU p 4 -10.902 15.942 1.788 1.00 0.00 H new ATOM 0 HD22 LEU p 4 -10.249 17.559 1.429 1.00 0.00 H new ATOM 0 HD23 LEU p 4 -9.185 16.297 2.095 1.00 0.00 H new ATOM 66 N GLU p 5 -7.023 18.354 2.599 1.00 0.00 N ATOM 67 CA GLU p 5 -6.136 18.243 1.424 1.00 0.00 C ATOM 68 C GLU p 5 -4.720 17.853 1.801 1.00 0.00 C ATOM 69 O GLU p 5 -4.031 17.207 1.020 1.00 0.00 O ATOM 70 CB GLU p 5 -6.087 19.562 0.646 1.00 0.00 C ATOM 71 CG GLU p 5 -7.389 20.347 0.674 1.00 0.00 C ATOM 72 CD GLU p 5 -7.888 20.711 -0.710 1.00 0.00 C ATOM 73 OE1 GLU p 5 -8.650 19.912 -1.295 1.00 0.00 O ATOM 74 OE2 GLU p 5 -7.519 21.795 -1.208 1.00 0.00 O ATOM 0 H GLU p 5 -7.447 19.277 2.690 1.00 0.00 H new ATOM 0 HA GLU p 5 -6.560 17.455 0.801 1.00 0.00 H new ATOM 0 HB2 GLU p 5 -5.291 20.184 1.056 1.00 0.00 H new ATOM 0 HB3 GLU p 5 -5.825 19.351 -0.391 1.00 0.00 H new ATOM 0 HG2 GLU p 5 -8.151 19.759 1.186 1.00 0.00 H new ATOM 0 HG3 GLU p 5 -7.245 21.258 1.254 1.00 0.00 H new ATOM 81 N LYS p 6 -4.304 18.278 2.989 1.00 0.00 N ATOM 82 CA LYS p 6 -2.969 17.958 3.511 1.00 0.00 C ATOM 83 C LYS p 6 -3.020 16.691 4.354 1.00 0.00 C ATOM 84 O LYS p 6 -1.986 16.139 4.712 1.00 0.00 O ATOM 85 CB LYS p 6 -2.371 19.109 4.316 1.00 0.00 C ATOM 86 CG LYS p 6 -1.736 20.207 3.468 1.00 0.00 C ATOM 87 CD LYS p 6 -0.320 19.849 3.026 1.00 0.00 C ATOM 88 CE LYS p 6 0.299 20.957 2.191 1.00 0.00 C ATOM 89 NZ LYS p 6 1.675 20.610 1.737 1.00 0.00 N ATOM 0 H LYS p 6 -4.871 18.848 3.616 1.00 0.00 H new ATOM 0 HA LYS p 6 -2.318 17.793 2.653 1.00 0.00 H new ATOM 0 HB2 LYS p 6 -3.154 19.550 4.933 1.00 0.00 H new ATOM 0 HB3 LYS p 6 -1.618 18.709 4.995 1.00 0.00 H new ATOM 0 HG2 LYS p 6 -2.354 20.388 2.589 1.00 0.00 H new ATOM 0 HG3 LYS p 6 -1.713 21.136 4.038 1.00 0.00 H new ATOM 0 HD2 LYS p 6 0.300 19.663 3.903 1.00 0.00 H new ATOM 0 HD3 LYS p 6 -0.341 18.925 2.448 1.00 0.00 H new ATOM 0 HE2 LYS p 6 -0.331 21.152 1.323 1.00 0.00 H new ATOM 0 HE3 LYS p 6 0.331 21.877 2.775 1.00 0.00 H new ATOM 0 HZ1 LYS p 6 2.061 21.392 1.171 1.00 0.00 H new ATOM 0 HZ2 LYS p 6 2.283 20.449 2.565 1.00 0.00 H new ATOM 0 HZ3 LYS p 6 1.642 19.747 1.158 1.00 0.00 H new ATOM 103 N GLU p 7 -4.249 16.269 4.675 1.00 0.00 N ATOM 104 CA GLU p 7 -4.530 15.033 5.403 1.00 0.00 C ATOM 105 C GLU p 7 -4.689 13.947 4.342 1.00 0.00 C ATOM 106 O GLU p 7 -4.549 12.752 4.589 1.00 0.00 O ATOM 107 CB GLU p 7 -5.810 15.223 6.225 1.00 0.00 C ATOM 108 CG GLU p 7 -6.645 13.970 6.429 1.00 0.00 C ATOM 109 CD GLU p 7 -6.833 13.615 7.890 1.00 0.00 C ATOM 110 OE1 GLU p 7 -7.812 14.099 8.498 1.00 0.00 O ATOM 111 OE2 GLU p 7 -6.001 12.855 8.429 1.00 0.00 O ATOM 0 H GLU p 7 -5.091 16.790 4.429 1.00 0.00 H new ATOM 0 HA GLU p 7 -3.738 14.759 6.100 1.00 0.00 H new ATOM 0 HB2 GLU p 7 -5.538 15.621 7.203 1.00 0.00 H new ATOM 0 HB3 GLU p 7 -6.428 15.975 5.735 1.00 0.00 H new ATOM 0 HG2 GLU p 7 -7.622 14.112 5.967 1.00 0.00 H new ATOM 0 HG3 GLU p 7 -6.168 13.135 5.916 1.00 0.00 H new ATOM 118 N LEU p 8 -4.994 14.468 3.157 1.00 0.00 N ATOM 119 CA LEU p 8 -5.180 13.759 1.919 1.00 0.00 C ATOM 120 C LEU p 8 -3.830 13.700 1.238 1.00 0.00 C ATOM 121 O LEU p 8 -3.506 12.744 0.550 1.00 0.00 O ATOM 122 CB LEU p 8 -6.153 14.565 1.062 1.00 0.00 C ATOM 123 CG LEU p 8 -6.978 13.831 0.008 1.00 0.00 C ATOM 124 CD1 LEU p 8 -7.756 14.867 -0.754 1.00 0.00 C ATOM 125 CD2 LEU p 8 -6.113 13.023 -0.949 1.00 0.00 C ATOM 0 H LEU p 8 -5.125 15.473 3.041 1.00 0.00 H new ATOM 0 HA LEU p 8 -5.573 12.754 2.073 1.00 0.00 H new ATOM 0 HB2 LEU p 8 -6.847 15.069 1.734 1.00 0.00 H new ATOM 0 HB3 LEU p 8 -5.582 15.342 0.554 1.00 0.00 H new ATOM 0 HG LEU p 8 -7.637 13.118 0.504 1.00 0.00 H new ATOM 0 HD11 LEU p 8 -8.360 14.379 -1.519 1.00 0.00 H new ATOM 0 HD12 LEU p 8 -8.407 15.410 -0.069 1.00 0.00 H new ATOM 0 HD13 LEU p 8 -7.066 15.565 -1.228 1.00 0.00 H new ATOM 0 HD21 LEU p 8 -6.749 12.521 -1.678 1.00 0.00 H new ATOM 0 HD22 LEU p 8 -5.423 13.689 -1.467 1.00 0.00 H new ATOM 0 HD23 LEU p 8 -5.547 12.279 -0.388 1.00 0.00 H new ATOM 137 N ALA p 9 -3.091 14.803 1.427 1.00 0.00 N ATOM 138 CA ALA p 9 -1.715 14.956 0.940 1.00 0.00 C ATOM 139 C ALA p 9 -0.799 14.202 1.890 1.00 0.00 C ATOM 140 O ALA p 9 0.333 13.848 1.554 1.00 0.00 O ATOM 141 CB ALA p 9 -1.286 16.413 0.832 1.00 0.00 C ATOM 0 H ALA p 9 -3.437 15.622 1.928 1.00 0.00 H new ATOM 0 HA ALA p 9 -1.654 14.550 -0.070 1.00 0.00 H new ATOM 0 HB1 ALA p 9 -0.260 16.464 0.467 1.00 0.00 H new ATOM 0 HB2 ALA p 9 -1.944 16.936 0.138 1.00 0.00 H new ATOM 0 HB3 ALA p 9 -1.346 16.884 1.813 1.00 0.00 H new ATOM 147 N GLN p 10 -1.343 13.978 3.097 1.00 0.00 N ATOM 148 CA GLN p 10 -0.700 13.210 4.140 1.00 0.00 C ATOM 149 C GLN p 10 -1.126 11.769 3.928 1.00 0.00 C ATOM 150 O GLN p 10 -0.398 10.849 4.248 1.00 0.00 O ATOM 151 CB GLN p 10 -1.118 13.740 5.515 1.00 0.00 C ATOM 152 CG GLN p 10 -1.208 12.706 6.625 1.00 0.00 C ATOM 153 CD GLN p 10 -0.137 12.883 7.684 1.00 0.00 C ATOM 154 OE1 GLN p 10 -0.336 13.591 8.672 1.00 0.00 O ATOM 155 NE2 GLN p 10 1.007 12.241 7.483 1.00 0.00 N ATOM 0 H GLN p 10 -2.259 14.338 3.366 1.00 0.00 H new ATOM 0 HA GLN p 10 0.386 13.289 4.100 1.00 0.00 H new ATOM 0 HB2 GLN p 10 -0.408 14.509 5.818 1.00 0.00 H new ATOM 0 HB3 GLN p 10 -2.089 14.224 5.416 1.00 0.00 H new ATOM 0 HG2 GLN p 10 -2.190 12.769 7.094 1.00 0.00 H new ATOM 0 HG3 GLN p 10 -1.124 11.709 6.193 1.00 0.00 H new ATOM 0 HE21 GLN p 10 1.129 11.665 6.650 1.00 0.00 H new ATOM 0 HE22 GLN p 10 1.764 12.324 8.161 1.00 0.00 H new ATOM 164 N ASN p 11 -2.335 11.645 3.359 1.00 0.00 N ATOM 165 CA ASN p 11 -2.951 10.367 2.983 1.00 0.00 C ATOM 166 C ASN p 11 -2.356 9.964 1.653 1.00 0.00 C ATOM 167 O ASN p 11 -2.404 8.803 1.250 1.00 0.00 O ATOM 168 CB ASN p 11 -4.474 10.475 2.862 1.00 0.00 C ATOM 169 CG ASN p 11 -5.177 9.163 3.161 1.00 0.00 C ATOM 170 OD1 ASN p 11 -5.531 8.880 4.305 1.00 0.00 O ATOM 171 ND2 ASN p 11 -5.382 8.354 2.128 1.00 0.00 N ATOM 0 H ASN p 11 -2.923 12.450 3.143 1.00 0.00 H new ATOM 0 HA ASN p 11 -2.752 9.625 3.756 1.00 0.00 H new ATOM 0 HB2 ASN p 11 -4.836 11.241 3.547 1.00 0.00 H new ATOM 0 HB3 ASN p 11 -4.733 10.800 1.854 1.00 0.00 H new ATOM 0 HD21 ASN p 11 -5.850 7.458 2.267 1.00 0.00 H new ATOM 0 HD22 ASN p 11 -5.072 8.629 1.196 1.00 0.00 H new ATOM 178 N GLU p 12 -1.811 10.993 0.986 1.00 0.00 N ATOM 179 CA GLU p 12 -1.105 10.888 -0.243 1.00 0.00 C ATOM 180 C GLU p 12 0.299 10.497 0.136 1.00 0.00 C ATOM 181 O GLU p 12 0.979 9.782 -0.570 1.00 0.00 O ATOM 182 CB GLU p 12 -1.112 12.250 -0.881 1.00 0.00 C ATOM 183 CG GLU p 12 -0.427 12.306 -2.200 1.00 0.00 C ATOM 184 CD GLU p 12 -1.350 12.666 -3.348 1.00 0.00 C ATOM 185 OE1 GLU p 12 -1.934 11.742 -3.952 1.00 0.00 O ATOM 186 OE2 GLU p 12 -1.489 13.872 -3.642 1.00 0.00 O ATOM 0 H GLU p 12 -1.868 11.953 1.327 1.00 0.00 H new ATOM 0 HA GLU p 12 -1.537 10.167 -0.937 1.00 0.00 H new ATOM 0 HB2 GLU p 12 -2.145 12.576 -1.006 1.00 0.00 H new ATOM 0 HB3 GLU p 12 -0.634 12.959 -0.205 1.00 0.00 H new ATOM 0 HG2 GLU p 12 0.380 13.037 -2.150 1.00 0.00 H new ATOM 0 HG3 GLU p 12 0.032 11.338 -2.403 1.00 0.00 H new ATOM 193 N TRP p 13 0.672 11.054 1.284 1.00 0.00 N ATOM 194 CA TRP p 13 1.951 10.812 1.954 1.00 0.00 C ATOM 195 C TRP p 13 1.874 9.481 2.691 1.00 0.00 C ATOM 196 O TRP p 13 2.896 8.919 3.064 1.00 0.00 O ATOM 197 CB TRP p 13 2.297 11.945 2.924 1.00 0.00 C ATOM 198 CG TRP p 13 3.774 12.117 3.146 1.00 0.00 C ATOM 199 CD1 TRP p 13 4.526 11.528 4.121 1.00 0.00 C ATOM 200 CD2 TRP p 13 4.679 12.931 2.379 1.00 0.00 C ATOM 201 NE1 TRP p 13 5.838 11.921 4.012 1.00 0.00 N ATOM 202 CE2 TRP p 13 5.957 12.781 2.951 1.00 0.00 C ATOM 203 CE3 TRP p 13 4.535 13.769 1.266 1.00 0.00 C ATOM 204 CZ2 TRP p 13 7.079 13.437 2.450 1.00 0.00 C ATOM 205 CZ3 TRP p 13 5.650 14.418 0.771 1.00 0.00 C ATOM 206 CH2 TRP p 13 6.908 14.248 1.362 1.00 0.00 C ATOM 0 H TRP p 13 0.076 11.707 1.792 1.00 0.00 H new ATOM 0 HA TRP p 13 2.743 10.776 1.206 1.00 0.00 H new ATOM 0 HB2 TRP p 13 1.884 12.878 2.541 1.00 0.00 H new ATOM 0 HB3 TRP p 13 1.814 11.752 3.882 1.00 0.00 H new ATOM 0 HD1 TRP p 13 4.145 10.850 4.870 1.00 0.00 H new ATOM 0 HE1 TRP p 13 6.599 11.622 4.621 1.00 0.00 H new ATOM 0 HE3 TRP p 13 3.569 13.906 0.803 1.00 0.00 H new ATOM 0 HZ2 TRP p 13 8.050 13.310 2.905 1.00 0.00 H new ATOM 0 HZ3 TRP p 13 5.549 15.067 -0.086 1.00 0.00 H new ATOM 0 HH2 TRP p 13 7.761 14.768 0.950 1.00 0.00 H new ATOM 217 N GLU p 14 0.626 9.031 2.928 1.00 0.00 N ATOM 218 CA GLU p 14 0.342 7.708 3.527 1.00 0.00 C ATOM 219 C GLU p 14 0.211 6.765 2.374 1.00 0.00 C ATOM 220 O GLU p 14 0.268 5.547 2.507 1.00 0.00 O ATOM 221 CB GLU p 14 -0.942 7.665 4.347 1.00 0.00 C ATOM 222 CG GLU p 14 -0.961 8.707 5.422 1.00 0.00 C ATOM 223 CD GLU p 14 -1.458 8.189 6.758 1.00 0.00 C ATOM 224 OE1 GLU p 14 -0.626 7.714 7.558 1.00 0.00 O ATOM 225 OE2 GLU p 14 -2.681 8.256 7.002 1.00 0.00 O ATOM 0 H GLU p 14 -0.212 9.571 2.711 1.00 0.00 H new ATOM 0 HA GLU p 14 1.144 7.453 4.220 1.00 0.00 H new ATOM 0 HB2 GLU p 14 -1.798 7.810 3.687 1.00 0.00 H new ATOM 0 HB3 GLU p 14 -1.051 6.678 4.798 1.00 0.00 H new ATOM 0 HG2 GLU p 14 0.045 9.106 5.548 1.00 0.00 H new ATOM 0 HG3 GLU p 14 -1.595 9.535 5.104 1.00 0.00 H new ATOM 232 N LEU p 15 -0.023 7.421 1.241 1.00 0.00 N ATOM 233 CA LEU p 15 -0.110 6.794 -0.067 1.00 0.00 C ATOM 234 C LEU p 15 1.315 6.679 -0.602 1.00 0.00 C ATOM 235 O LEU p 15 1.650 5.739 -1.303 1.00 0.00 O ATOM 236 CB LEU p 15 -1.004 7.617 -1.020 1.00 0.00 C ATOM 237 CG LEU p 15 -1.282 7.044 -2.427 1.00 0.00 C ATOM 238 CD1 LEU p 15 -0.284 7.612 -3.420 1.00 0.00 C ATOM 239 CD2 LEU p 15 -1.224 5.526 -2.430 1.00 0.00 C ATOM 0 H LEU p 15 -0.161 8.431 1.210 1.00 0.00 H new ATOM 0 HA LEU p 15 -0.569 5.808 0.008 1.00 0.00 H new ATOM 0 HB2 LEU p 15 -1.964 7.773 -0.527 1.00 0.00 H new ATOM 0 HB3 LEU p 15 -0.546 8.598 -1.143 1.00 0.00 H new ATOM 0 HG LEU p 15 -2.290 7.337 -2.721 1.00 0.00 H new ATOM 0 HD11 LEU p 15 -0.485 7.205 -4.411 1.00 0.00 H new ATOM 0 HD12 LEU p 15 -0.377 8.698 -3.448 1.00 0.00 H new ATOM 0 HD13 LEU p 15 0.727 7.342 -3.115 1.00 0.00 H new ATOM 0 HD21 LEU p 15 -1.424 5.156 -3.436 1.00 0.00 H new ATOM 0 HD22 LEU p 15 -0.233 5.199 -2.114 1.00 0.00 H new ATOM 0 HD23 LEU p 15 -1.973 5.132 -1.743 1.00 0.00 H new ATOM 251 N GLN p 16 2.121 7.673 -0.207 1.00 0.00 N ATOM 252 CA GLN p 16 3.560 7.773 -0.522 1.00 0.00 C ATOM 253 C GLN p 16 4.263 6.924 0.480 1.00 0.00 C ATOM 254 O GLN p 16 5.374 6.467 0.269 1.00 0.00 O ATOM 255 CB GLN p 16 4.091 9.199 -0.404 1.00 0.00 C ATOM 256 CG GLN p 16 3.378 10.161 -1.308 1.00 0.00 C ATOM 257 CD GLN p 16 4.315 10.964 -2.190 1.00 0.00 C ATOM 258 OE1 GLN p 16 4.773 12.042 -1.810 1.00 0.00 O ATOM 259 NE2 GLN p 16 4.604 10.443 -3.377 1.00 0.00 N ATOM 0 H GLN p 16 1.785 8.454 0.357 1.00 0.00 H new ATOM 0 HA GLN p 16 3.725 7.456 -1.552 1.00 0.00 H new ATOM 0 HB2 GLN p 16 3.991 9.535 0.628 1.00 0.00 H new ATOM 0 HB3 GLN p 16 5.155 9.206 -0.640 1.00 0.00 H new ATOM 0 HG2 GLN p 16 2.682 9.608 -1.939 1.00 0.00 H new ATOM 0 HG3 GLN p 16 2.785 10.846 -0.702 1.00 0.00 H new ATOM 0 HE21 GLN p 16 4.202 9.547 -3.652 1.00 0.00 H new ATOM 0 HE22 GLN p 16 5.228 10.939 -4.014 1.00 0.00 H new ATOM 268 N ALA p 17 3.567 6.812 1.606 1.00 0.00 N ATOM 269 CA ALA p 17 3.964 5.949 2.721 1.00 0.00 C ATOM 270 C ALA p 17 3.425 4.566 2.424 1.00 0.00 C ATOM 271 O ALA p 17 3.813 3.591 3.053 1.00 0.00 O ATOM 272 CB ALA p 17 3.468 6.439 4.073 1.00 0.00 C ATOM 0 H ALA p 17 2.700 7.323 1.776 1.00 0.00 H new ATOM 0 HA ALA p 17 5.051 5.952 2.799 1.00 0.00 H new ATOM 0 HB1 ALA p 17 3.798 5.752 4.852 1.00 0.00 H new ATOM 0 HB2 ALA p 17 3.871 7.433 4.270 1.00 0.00 H new ATOM 0 HB3 ALA p 17 2.379 6.484 4.067 1.00 0.00 H new ATOM 278 N LEU p 18 2.471 4.539 1.467 1.00 0.00 N ATOM 279 CA LEU p 18 1.886 3.314 0.940 1.00 0.00 C ATOM 280 C LEU p 18 2.759 2.882 -0.234 1.00 0.00 C ATOM 281 O LEU p 18 2.830 1.706 -0.585 1.00 0.00 O ATOM 282 CB LEU p 18 0.430 3.534 0.485 1.00 0.00 C ATOM 283 CG LEU p 18 -0.368 2.300 0.008 1.00 0.00 C ATOM 284 CD1 LEU p 18 -0.292 2.192 -1.504 1.00 0.00 C ATOM 285 CD2 LEU p 18 0.146 1.024 0.656 1.00 0.00 C ATOM 0 H LEU p 18 2.090 5.385 1.042 1.00 0.00 H new ATOM 0 HA LEU p 18 1.854 2.545 1.712 1.00 0.00 H new ATOM 0 HB2 LEU p 18 -0.115 3.986 1.313 1.00 0.00 H new ATOM 0 HB3 LEU p 18 0.439 4.262 -0.326 1.00 0.00 H new ATOM 0 HG LEU p 18 -1.408 2.428 0.308 1.00 0.00 H new ATOM 0 HD11 LEU p 18 -0.856 1.320 -1.835 1.00 0.00 H new ATOM 0 HD12 LEU p 18 -0.714 3.090 -1.955 1.00 0.00 H new ATOM 0 HD13 LEU p 18 0.749 2.088 -1.809 1.00 0.00 H new ATOM 0 HD21 LEU p 18 -0.437 0.175 0.299 1.00 0.00 H new ATOM 0 HD22 LEU p 18 1.194 0.880 0.395 1.00 0.00 H new ATOM 0 HD23 LEU p 18 0.049 1.101 1.739 1.00 0.00 H new ATOM 297 N GLU p 19 3.398 3.897 -0.828 1.00 0.00 N ATOM 298 CA GLU p 19 4.359 3.716 -1.935 1.00 0.00 C ATOM 299 C GLU p 19 5.695 3.456 -1.305 1.00 0.00 C ATOM 300 O GLU p 19 6.562 2.811 -1.877 1.00 0.00 O ATOM 301 CB GLU p 19 4.486 4.937 -2.846 1.00 0.00 C ATOM 302 CG GLU p 19 3.171 5.407 -3.402 1.00 0.00 C ATOM 303 CD GLU p 19 3.135 5.419 -4.919 1.00 0.00 C ATOM 304 OE1 GLU p 19 2.761 4.385 -5.511 1.00 0.00 O ATOM 305 OE2 GLU p 19 3.480 6.462 -5.513 1.00 0.00 O ATOM 0 H GLU p 19 3.266 4.872 -0.557 1.00 0.00 H new ATOM 0 HA GLU p 19 4.005 2.898 -2.562 1.00 0.00 H new ATOM 0 HB2 GLU p 19 4.948 5.751 -2.287 1.00 0.00 H new ATOM 0 HB3 GLU p 19 5.156 4.697 -3.672 1.00 0.00 H new ATOM 0 HG2 GLU p 19 2.375 4.761 -3.031 1.00 0.00 H new ATOM 0 HG3 GLU p 19 2.965 6.411 -3.032 1.00 0.00 H new ATOM 312 N LYS p 20 5.828 4.055 -0.122 1.00 0.00 N ATOM 313 CA LYS p 20 6.997 3.899 0.747 1.00 0.00 C ATOM 314 C LYS p 20 6.838 2.623 1.561 1.00 0.00 C ATOM 315 O LYS p 20 7.802 2.102 2.119 1.00 0.00 O ATOM 316 CB LYS p 20 7.155 5.094 1.675 1.00 0.00 C ATOM 317 CG LYS p 20 8.494 5.799 1.561 1.00 0.00 C ATOM 318 CD LYS p 20 9.378 5.523 2.767 1.00 0.00 C ATOM 319 CE LYS p 20 10.716 6.237 2.652 1.00 0.00 C ATOM 320 NZ LYS p 20 11.591 5.970 3.826 1.00 0.00 N ATOM 0 H LYS p 20 5.116 4.673 0.267 1.00 0.00 H new ATOM 0 HA LYS p 20 7.892 3.839 0.128 1.00 0.00 H new ATOM 0 HB2 LYS p 20 6.361 5.810 1.464 1.00 0.00 H new ATOM 0 HB3 LYS p 20 7.019 4.761 2.704 1.00 0.00 H new ATOM 0 HG2 LYS p 20 9.002 5.471 0.654 1.00 0.00 H new ATOM 0 HG3 LYS p 20 8.333 6.873 1.465 1.00 0.00 H new ATOM 0 HD2 LYS p 20 8.869 5.847 3.675 1.00 0.00 H new ATOM 0 HD3 LYS p 20 9.544 4.450 2.860 1.00 0.00 H new ATOM 0 HE2 LYS p 20 11.222 5.915 1.742 1.00 0.00 H new ATOM 0 HE3 LYS p 20 10.548 7.310 2.561 1.00 0.00 H new ATOM 0 HZ1 LYS p 20 12.538 6.360 3.649 1.00 0.00 H new ATOM 0 HZ2 LYS p 20 11.184 6.419 4.671 1.00 0.00 H new ATOM 0 HZ3 LYS p 20 11.663 4.944 3.979 1.00 0.00 H new ATOM 334 N GLU p 21 5.579 2.159 1.624 1.00 0.00 N ATOM 335 CA GLU p 21 5.204 0.910 2.261 1.00 0.00 C ATOM 336 C GLU p 21 5.365 -0.130 1.174 1.00 0.00 C ATOM 337 O GLU p 21 5.680 -1.297 1.420 1.00 0.00 O ATOM 338 CB GLU p 21 3.766 0.980 2.788 1.00 0.00 C ATOM 339 CG GLU p 21 2.994 -0.328 2.768 1.00 0.00 C ATOM 340 CD GLU p 21 2.717 -0.875 4.154 1.00 0.00 C ATOM 341 OE1 GLU p 21 3.560 -1.638 4.670 1.00 0.00 O ATOM 342 OE2 GLU p 21 1.658 -0.539 4.725 1.00 0.00 O ATOM 0 H GLU p 21 4.786 2.660 1.222 1.00 0.00 H new ATOM 0 HA GLU p 21 5.817 0.676 3.131 1.00 0.00 H new ATOM 0 HB2 GLU p 21 3.792 1.350 3.813 1.00 0.00 H new ATOM 0 HB3 GLU p 21 3.217 1.714 2.198 1.00 0.00 H new ATOM 0 HG2 GLU p 21 2.048 -0.177 2.248 1.00 0.00 H new ATOM 0 HG3 GLU p 21 3.557 -1.067 2.198 1.00 0.00 H new ATOM 349 N LEU p 22 5.123 0.363 -0.050 1.00 0.00 N ATOM 350 CA LEU p 22 5.318 -0.400 -1.263 1.00 0.00 C ATOM 351 C LEU p 22 6.820 -0.483 -1.473 1.00 0.00 C ATOM 352 O LEU p 22 7.369 -1.530 -1.819 1.00 0.00 O ATOM 353 CB LEU p 22 4.656 0.335 -2.429 1.00 0.00 C ATOM 354 CG LEU p 22 4.337 -0.455 -3.697 1.00 0.00 C ATOM 355 CD1 LEU p 22 3.624 0.473 -4.649 1.00 0.00 C ATOM 356 CD2 LEU p 22 5.596 -1.002 -4.353 1.00 0.00 C ATOM 0 H LEU p 22 4.784 1.311 -0.213 1.00 0.00 H new ATOM 0 HA LEU p 22 4.878 -1.395 -1.198 1.00 0.00 H new ATOM 0 HB2 LEU p 22 3.724 0.767 -2.063 1.00 0.00 H new ATOM 0 HB3 LEU p 22 5.304 1.165 -2.709 1.00 0.00 H new ATOM 0 HG LEU p 22 3.713 -1.311 -3.440 1.00 0.00 H new ATOM 0 HD11 LEU p 22 3.382 -0.063 -5.567 1.00 0.00 H new ATOM 0 HD12 LEU p 22 2.705 0.833 -4.186 1.00 0.00 H new ATOM 0 HD13 LEU p 22 4.269 1.320 -4.883 1.00 0.00 H new ATOM 0 HD21 LEU p 22 5.326 -1.557 -5.251 1.00 0.00 H new ATOM 0 HD22 LEU p 22 6.255 -0.176 -4.621 1.00 0.00 H new ATOM 0 HD23 LEU p 22 6.110 -1.665 -3.657 1.00 0.00 H new ATOM 368 N ALA p 23 7.456 0.673 -1.234 1.00 0.00 N ATOM 369 CA ALA p 23 8.918 0.804 -1.313 1.00 0.00 C ATOM 370 C ALA p 23 9.580 0.142 -0.106 1.00 0.00 C ATOM 371 O ALA p 23 10.783 -0.082 -0.108 1.00 0.00 O ATOM 372 CB ALA p 23 9.349 2.262 -1.415 1.00 0.00 C ATOM 0 H ALA p 23 6.976 1.537 -0.982 1.00 0.00 H new ATOM 0 HA ALA p 23 9.243 0.296 -2.221 1.00 0.00 H new ATOM 0 HB1 ALA p 23 10.436 2.317 -1.471 1.00 0.00 H new ATOM 0 HB2 ALA p 23 8.916 2.708 -2.311 1.00 0.00 H new ATOM 0 HB3 ALA p 23 9.003 2.806 -0.536 1.00 0.00 H new ATOM 378 N GLN p 24 8.753 -0.174 0.909 1.00 0.00 N ATOM 379 CA GLN p 24 9.165 -0.835 2.131 1.00 0.00 C ATOM 380 C GLN p 24 9.321 -2.336 1.869 1.00 0.00 C ATOM 381 O GLN p 24 10.108 -3.015 2.512 1.00 0.00 O ATOM 382 CB GLN p 24 8.090 -0.581 3.182 1.00 0.00 C ATOM 383 CG GLN p 24 8.162 -1.490 4.376 1.00 0.00 C ATOM 384 CD GLN p 24 8.179 -0.747 5.697 1.00 0.00 C ATOM 385 OE1 GLN p 24 7.130 -0.470 6.280 1.00 0.00 O ATOM 386 NE2 GLN p 24 9.373 -0.417 6.175 1.00 0.00 N ATOM 0 H GLN p 24 7.755 0.036 0.886 1.00 0.00 H new ATOM 0 HA GLN p 24 10.122 -0.450 2.482 1.00 0.00 H new ATOM 0 HB2 GLN p 24 8.168 0.452 3.522 1.00 0.00 H new ATOM 0 HB3 GLN p 24 7.111 -0.690 2.716 1.00 0.00 H new ATOM 0 HG2 GLN p 24 7.308 -2.168 4.360 1.00 0.00 H new ATOM 0 HG3 GLN p 24 9.059 -2.105 4.302 1.00 0.00 H new ATOM 0 HE21 GLN p 24 10.216 -0.667 5.658 1.00 0.00 H new ATOM 0 HE22 GLN p 24 9.447 0.086 7.059 1.00 0.00 H new ATOM 395 N LEU p 25 8.555 -2.785 0.879 1.00 0.00 N ATOM 396 CA LEU p 25 8.492 -4.156 0.401 1.00 0.00 C ATOM 397 C LEU p 25 9.726 -4.388 -0.432 1.00 0.00 C ATOM 398 O LEU p 25 10.384 -5.399 -0.313 1.00 0.00 O ATOM 399 CB LEU p 25 7.220 -4.302 -0.445 1.00 0.00 C ATOM 400 CG LEU p 25 6.655 -5.708 -0.656 1.00 0.00 C ATOM 401 CD1 LEU p 25 5.293 -5.576 -1.293 1.00 0.00 C ATOM 402 CD2 LEU p 25 7.560 -6.544 -1.546 1.00 0.00 C ATOM 0 H LEU p 25 7.929 -2.166 0.363 1.00 0.00 H new ATOM 0 HA LEU p 25 8.457 -4.883 1.213 1.00 0.00 H new ATOM 0 HB2 LEU p 25 6.441 -3.695 0.016 1.00 0.00 H new ATOM 0 HB3 LEU p 25 7.420 -3.872 -1.426 1.00 0.00 H new ATOM 0 HG LEU p 25 6.586 -6.214 0.307 1.00 0.00 H new ATOM 0 HD11 LEU p 25 4.869 -6.567 -1.454 1.00 0.00 H new ATOM 0 HD12 LEU p 25 4.638 -5.003 -0.636 1.00 0.00 H new ATOM 0 HD13 LEU p 25 5.387 -5.062 -2.250 1.00 0.00 H new ATOM 0 HD21 LEU p 25 7.128 -7.536 -1.674 1.00 0.00 H new ATOM 0 HD22 LEU p 25 7.659 -6.063 -2.519 1.00 0.00 H new ATOM 0 HD23 LEU p 25 8.543 -6.633 -1.084 1.00 0.00 H new ATOM 414 N GLU p 26 9.970 -3.398 -1.286 1.00 0.00 N ATOM 415 CA GLU p 26 11.140 -3.281 -2.141 1.00 0.00 C ATOM 416 C GLU p 26 12.321 -2.962 -1.249 1.00 0.00 C ATOM 417 O GLU p 26 13.475 -3.101 -1.613 1.00 0.00 O ATOM 418 CB GLU p 26 10.929 -2.171 -3.162 1.00 0.00 C ATOM 419 CG GLU p 26 9.550 -2.190 -3.791 1.00 0.00 C ATOM 420 CD GLU p 26 9.587 -2.126 -5.305 1.00 0.00 C ATOM 421 OE1 GLU p 26 9.570 -1.004 -5.852 1.00 0.00 O ATOM 422 OE2 GLU p 26 9.633 -3.199 -5.943 1.00 0.00 O ATOM 0 H GLU p 26 9.323 -2.618 -1.404 1.00 0.00 H new ATOM 0 HA GLU p 26 11.316 -4.207 -2.688 1.00 0.00 H new ATOM 0 HB2 GLU p 26 11.087 -1.207 -2.678 1.00 0.00 H new ATOM 0 HB3 GLU p 26 11.680 -2.261 -3.947 1.00 0.00 H new ATOM 0 HG2 GLU p 26 9.030 -3.097 -3.484 1.00 0.00 H new ATOM 0 HG3 GLU p 26 8.972 -1.347 -3.412 1.00 0.00 H new ATOM 429 N LYS p 27 11.980 -2.441 -0.085 1.00 0.00 N ATOM 430 CA LYS p 27 12.973 -2.204 0.973 1.00 0.00 C ATOM 431 C LYS p 27 13.242 -3.548 1.626 1.00 0.00 C ATOM 432 O LYS p 27 14.298 -3.783 2.218 1.00 0.00 O ATOM 433 CB LYS p 27 12.521 -1.199 2.025 1.00 0.00 C ATOM 434 CG LYS p 27 12.950 0.229 1.739 1.00 0.00 C ATOM 435 CD LYS p 27 12.796 1.115 2.966 1.00 0.00 C ATOM 436 CE LYS p 27 13.216 2.551 2.683 1.00 0.00 C ATOM 437 NZ LYS p 27 14.696 2.693 2.564 1.00 0.00 N ATOM 0 H LYS p 27 11.028 -2.171 0.162 1.00 0.00 H new ATOM 0 HA LYS p 27 13.866 -1.770 0.523 1.00 0.00 H new ATOM 0 HB2 LYS p 27 11.434 -1.233 2.102 1.00 0.00 H new ATOM 0 HB3 LYS p 27 12.918 -1.500 2.994 1.00 0.00 H new ATOM 0 HG2 LYS p 27 13.989 0.239 1.410 1.00 0.00 H new ATOM 0 HG3 LYS p 27 12.353 0.632 0.921 1.00 0.00 H new ATOM 0 HD2 LYS p 27 11.758 1.099 3.298 1.00 0.00 H new ATOM 0 HD3 LYS p 27 13.398 0.714 3.782 1.00 0.00 H new ATOM 0 HE2 LYS p 27 12.745 2.890 1.760 1.00 0.00 H new ATOM 0 HE3 LYS p 27 12.854 3.198 3.482 1.00 0.00 H new ATOM 0 HZ1 LYS p 27 14.935 3.687 2.371 1.00 0.00 H new ATOM 0 HZ2 LYS p 27 15.146 2.395 3.453 1.00 0.00 H new ATOM 0 HZ3 LYS p 27 15.040 2.097 1.785 1.00 0.00 H new ATOM 451 N GLU p 28 12.228 -4.417 1.518 1.00 0.00 N ATOM 452 CA GLU p 28 12.330 -5.804 2.005 1.00 0.00 C ATOM 453 C GLU p 28 12.770 -6.695 0.863 1.00 0.00 C ATOM 454 O GLU p 28 13.516 -7.658 1.044 1.00 0.00 O ATOM 455 CB GLU p 28 10.995 -6.338 2.533 1.00 0.00 C ATOM 456 CG GLU p 28 10.332 -5.438 3.538 1.00 0.00 C ATOM 457 CD GLU p 28 10.192 -6.070 4.908 1.00 0.00 C ATOM 458 OE1 GLU p 28 11.122 -5.921 5.729 1.00 0.00 O ATOM 459 OE2 GLU p 28 9.153 -6.715 5.162 1.00 0.00 O ATOM 0 H GLU p 28 11.327 -4.187 1.098 1.00 0.00 H new ATOM 0 HA GLU p 28 13.049 -5.808 2.824 1.00 0.00 H new ATOM 0 HB2 GLU p 28 10.317 -6.489 1.693 1.00 0.00 H new ATOM 0 HB3 GLU p 28 11.160 -7.315 2.988 1.00 0.00 H new ATOM 0 HG2 GLU p 28 10.909 -4.518 3.627 1.00 0.00 H new ATOM 0 HG3 GLU p 28 9.344 -5.161 3.171 1.00 0.00 H new ATOM 466 N LEU p 29 12.263 -6.346 -0.315 1.00 0.00 N ATOM 467 CA LEU p 29 12.537 -7.069 -1.547 1.00 0.00 C ATOM 468 C LEU p 29 13.826 -6.649 -2.235 1.00 0.00 C ATOM 469 O LEU p 29 14.695 -7.483 -2.503 1.00 0.00 O ATOM 470 CB LEU p 29 11.383 -6.859 -2.526 1.00 0.00 C ATOM 471 CG LEU p 29 10.808 -8.102 -3.192 1.00 0.00 C ATOM 472 CD1 LEU p 29 9.662 -7.680 -4.081 1.00 0.00 C ATOM 473 CD2 LEU p 29 11.875 -8.821 -4.000 1.00 0.00 C ATOM 0 H LEU p 29 11.644 -5.545 -0.440 1.00 0.00 H new ATOM 0 HA LEU p 29 12.647 -8.116 -1.264 1.00 0.00 H new ATOM 0 HB2 LEU p 29 10.576 -6.355 -1.995 1.00 0.00 H new ATOM 0 HB3 LEU p 29 11.722 -6.181 -3.309 1.00 0.00 H new ATOM 0 HG LEU p 29 10.450 -8.795 -2.431 1.00 0.00 H new ATOM 0 HD11 LEU p 29 9.237 -8.558 -4.567 1.00 0.00 H new ATOM 0 HD12 LEU p 29 8.896 -7.191 -3.479 1.00 0.00 H new ATOM 0 HD13 LEU p 29 10.026 -6.986 -4.839 1.00 0.00 H new ATOM 0 HD21 LEU p 29 11.443 -9.706 -4.467 1.00 0.00 H new ATOM 0 HD22 LEU p 29 12.258 -8.154 -4.772 1.00 0.00 H new ATOM 0 HD23 LEU p 29 12.690 -9.120 -3.341 1.00 0.00 H new ATOM 791 N GLN p 51 1.865 -15.959 -5.600 1.00 0.00 N ATOM 792 CA GLN p 51 0.463 -15.973 -5.160 1.00 0.00 C ATOM 793 C GLN p 51 0.285 -15.179 -3.858 1.00 0.00 C ATOM 794 O GLN p 51 -0.836 -14.983 -3.380 1.00 0.00 O ATOM 795 CB GLN p 51 -0.018 -17.417 -4.964 1.00 0.00 C ATOM 796 CG GLN p 51 -0.230 -18.179 -6.266 1.00 0.00 C ATOM 797 CD GLN p 51 -0.710 -19.599 -6.039 1.00 0.00 C ATOM 798 OE1 GLN p 51 0.090 -20.524 -5.906 1.00 0.00 O ATOM 799 NE2 GLN p 51 -2.026 -19.779 -5.996 1.00 0.00 N ATOM 0 HA GLN p 51 -0.138 -15.498 -5.935 1.00 0.00 H new ATOM 0 HB2 GLN p 51 0.710 -17.953 -4.355 1.00 0.00 H new ATOM 0 HB3 GLN p 51 -0.954 -17.405 -4.405 1.00 0.00 H new ATOM 0 HG2 GLN p 51 -0.957 -17.647 -6.880 1.00 0.00 H new ATOM 0 HG3 GLN p 51 0.705 -18.201 -6.826 1.00 0.00 H new ATOM 0 HE21 GLN p 51 -2.654 -18.983 -6.111 1.00 0.00 H new ATOM 0 HE22 GLN p 51 -2.408 -20.713 -5.848 1.00 0.00 H new ATOM 808 N ALA p 52 1.417 -14.769 -3.276 1.00 0.00 N ATOM 809 CA ALA p 52 1.440 -14.014 -2.026 1.00 0.00 C ATOM 810 C ALA p 52 1.828 -12.544 -2.226 1.00 0.00 C ATOM 811 O ALA p 52 1.516 -11.700 -1.393 1.00 0.00 O ATOM 812 CB ALA p 52 2.419 -14.687 -1.078 1.00 0.00 C ATOM 0 H ALA p 52 2.343 -14.953 -3.662 1.00 0.00 H new ATOM 0 HA ALA p 52 0.432 -14.013 -1.611 1.00 0.00 H new ATOM 0 HB1 ALA p 52 2.451 -14.137 -0.137 1.00 0.00 H new ATOM 0 HB2 ALA p 52 2.097 -15.711 -0.889 1.00 0.00 H new ATOM 0 HB3 ALA p 52 3.412 -14.696 -1.527 1.00 0.00 H new ATOM 818 N LEU p 53 2.545 -12.271 -3.309 1.00 0.00 N ATOM 819 CA LEU p 53 3.026 -10.940 -3.645 1.00 0.00 C ATOM 820 C LEU p 53 2.116 -10.246 -4.640 1.00 0.00 C ATOM 821 O LEU p 53 1.392 -9.306 -4.311 1.00 0.00 O ATOM 822 CB LEU p 53 4.458 -11.051 -4.209 1.00 0.00 C ATOM 823 CG LEU p 53 5.615 -10.863 -3.214 1.00 0.00 C ATOM 824 CD1 LEU p 53 5.506 -9.521 -2.517 1.00 0.00 C ATOM 825 CD2 LEU p 53 5.654 -12.001 -2.202 1.00 0.00 C ATOM 0 H LEU p 53 2.812 -12.982 -3.989 1.00 0.00 H new ATOM 0 HA LEU p 53 3.029 -10.334 -2.739 1.00 0.00 H new ATOM 0 HB2 LEU p 53 4.565 -12.032 -4.672 1.00 0.00 H new ATOM 0 HB3 LEU p 53 4.569 -10.311 -5.001 1.00 0.00 H new ATOM 0 HG LEU p 53 6.551 -10.882 -3.773 1.00 0.00 H new ATOM 0 HD11 LEU p 53 6.334 -9.406 -1.817 1.00 0.00 H new ATOM 0 HD12 LEU p 53 5.544 -8.722 -3.258 1.00 0.00 H new ATOM 0 HD13 LEU p 53 4.562 -9.468 -1.975 1.00 0.00 H new ATOM 0 HD21 LEU p 53 6.481 -11.844 -1.510 1.00 0.00 H new ATOM 0 HD22 LEU p 53 4.716 -12.027 -1.647 1.00 0.00 H new ATOM 0 HD23 LEU p 53 5.792 -12.948 -2.724 1.00 0.00 H new ATOM 837 N LYS p 54 2.157 -10.774 -5.860 1.00 0.00 N ATOM 838 CA LYS p 54 1.367 -10.280 -7.007 1.00 0.00 C ATOM 839 C LYS p 54 -0.141 -10.382 -6.759 1.00 0.00 C ATOM 840 O LYS p 54 -0.936 -9.774 -7.472 1.00 0.00 O ATOM 841 CB LYS p 54 1.734 -11.052 -8.279 1.00 0.00 C ATOM 842 CG LYS p 54 3.096 -10.686 -8.851 1.00 0.00 C ATOM 843 CD LYS p 54 3.395 -11.464 -10.125 1.00 0.00 C ATOM 844 CE LYS p 54 4.757 -11.103 -10.703 1.00 0.00 C ATOM 845 NZ LYS p 54 4.762 -9.752 -11.333 1.00 0.00 N ATOM 0 H LYS p 54 2.748 -11.572 -6.094 1.00 0.00 H new ATOM 0 HA LYS p 54 1.612 -9.225 -7.133 1.00 0.00 H new ATOM 0 HB2 LYS p 54 1.717 -12.120 -8.062 1.00 0.00 H new ATOM 0 HB3 LYS p 54 0.972 -10.869 -9.036 1.00 0.00 H new ATOM 0 HG2 LYS p 54 3.128 -9.617 -9.061 1.00 0.00 H new ATOM 0 HG3 LYS p 54 3.869 -10.889 -8.110 1.00 0.00 H new ATOM 0 HD2 LYS p 54 3.362 -12.533 -9.914 1.00 0.00 H new ATOM 0 HD3 LYS p 54 2.621 -11.261 -10.865 1.00 0.00 H new ATOM 0 HE2 LYS p 54 5.506 -11.136 -9.912 1.00 0.00 H new ATOM 0 HE3 LYS p 54 5.044 -11.849 -11.444 1.00 0.00 H new ATOM 0 HZ1 LYS p 54 5.709 -9.549 -11.712 1.00 0.00 H new ATOM 0 HZ2 LYS p 54 4.067 -9.727 -12.106 1.00 0.00 H new ATOM 0 HZ3 LYS p 54 4.514 -9.036 -10.621 1.00 0.00 H new ATOM 859 N LYS p 55 -0.496 -11.167 -5.742 1.00 0.00 N ATOM 860 CA LYS p 55 -1.858 -11.393 -5.324 1.00 0.00 C ATOM 861 C LYS p 55 -2.213 -10.453 -4.195 1.00 0.00 C ATOM 862 O LYS p 55 -3.335 -9.961 -4.128 1.00 0.00 O ATOM 863 CB LYS p 55 -2.046 -12.840 -4.907 1.00 0.00 C ATOM 864 CG LYS p 55 -2.487 -13.745 -6.044 1.00 0.00 C ATOM 865 CD LYS p 55 -3.040 -15.062 -5.528 1.00 0.00 C ATOM 866 CE LYS p 55 -3.504 -15.953 -6.669 1.00 0.00 C ATOM 867 NZ LYS p 55 -4.019 -17.262 -6.179 1.00 0.00 N ATOM 0 H LYS p 55 0.185 -11.673 -5.176 1.00 0.00 H new ATOM 0 HA LYS p 55 -2.527 -11.193 -6.161 1.00 0.00 H new ATOM 0 HB2 LYS p 55 -1.109 -13.216 -4.496 1.00 0.00 H new ATOM 0 HB3 LYS p 55 -2.786 -12.887 -4.108 1.00 0.00 H new ATOM 0 HG2 LYS p 55 -3.247 -13.239 -6.639 1.00 0.00 H new ATOM 0 HG3 LYS p 55 -1.642 -13.938 -6.705 1.00 0.00 H new ATOM 0 HD2 LYS p 55 -2.274 -15.578 -4.949 1.00 0.00 H new ATOM 0 HD3 LYS p 55 -3.874 -14.869 -4.853 1.00 0.00 H new ATOM 0 HE2 LYS p 55 -4.286 -15.443 -7.232 1.00 0.00 H new ATOM 0 HE3 LYS p 55 -2.675 -16.123 -7.356 1.00 0.00 H new ATOM 0 HZ1 LYS p 55 -3.880 -17.986 -6.912 1.00 0.00 H new ATOM 0 HZ2 LYS p 55 -3.504 -17.538 -5.319 1.00 0.00 H new ATOM 0 HZ3 LYS p 55 -5.033 -17.177 -5.963 1.00 0.00 H new ATOM 881 N LYS p 56 -1.240 -10.221 -3.296 1.00 0.00 N ATOM 882 CA LYS p 56 -1.425 -9.265 -2.175 1.00 0.00 C ATOM 883 C LYS p 56 -1.355 -7.826 -2.710 1.00 0.00 C ATOM 884 O LYS p 56 -1.701 -6.859 -2.030 1.00 0.00 O ATOM 885 CB LYS p 56 -0.377 -9.468 -1.086 1.00 0.00 C ATOM 886 CG LYS p 56 -0.796 -10.475 -0.027 1.00 0.00 C ATOM 887 CD LYS p 56 0.196 -10.517 1.126 1.00 0.00 C ATOM 888 CE LYS p 56 -0.209 -11.532 2.186 1.00 0.00 C ATOM 889 NZ LYS p 56 -1.365 -11.063 3.002 1.00 0.00 N ATOM 0 H LYS p 56 -0.326 -10.673 -3.317 1.00 0.00 H new ATOM 0 HA LYS p 56 -2.404 -9.447 -1.731 1.00 0.00 H new ATOM 0 HB2 LYS p 56 0.554 -9.800 -1.545 1.00 0.00 H new ATOM 0 HB3 LYS p 56 -0.172 -8.511 -0.606 1.00 0.00 H new ATOM 0 HG2 LYS p 56 -1.785 -10.216 0.352 1.00 0.00 H new ATOM 0 HG3 LYS p 56 -0.876 -11.465 -0.476 1.00 0.00 H new ATOM 0 HD2 LYS p 56 1.186 -10.766 0.744 1.00 0.00 H new ATOM 0 HD3 LYS p 56 0.268 -9.528 1.579 1.00 0.00 H new ATOM 0 HE2 LYS p 56 -0.466 -12.475 1.704 1.00 0.00 H new ATOM 0 HE3 LYS p 56 0.640 -11.729 2.841 1.00 0.00 H new ATOM 0 HZ1 LYS p 56 -1.606 -11.785 3.710 1.00 0.00 H new ATOM 0 HZ2 LYS p 56 -1.113 -10.176 3.484 1.00 0.00 H new ATOM 0 HZ3 LYS p 56 -2.184 -10.900 2.382 1.00 0.00 H new ATOM 903 N LEU p 57 -0.886 -7.755 -3.955 1.00 0.00 N ATOM 904 CA LEU p 57 -0.742 -6.549 -4.750 1.00 0.00 C ATOM 905 C LEU p 57 -1.993 -6.421 -5.568 1.00 0.00 C ATOM 906 O LEU p 57 -2.556 -5.341 -5.730 1.00 0.00 O ATOM 907 CB LEU p 57 0.457 -6.690 -5.682 1.00 0.00 C ATOM 908 CG LEU p 57 1.742 -5.978 -5.277 1.00 0.00 C ATOM 909 CD1 LEU p 57 2.291 -6.519 -3.963 1.00 0.00 C ATOM 910 CD2 LEU p 57 2.744 -6.162 -6.391 1.00 0.00 C ATOM 0 H LEU p 57 -0.581 -8.588 -4.459 1.00 0.00 H new ATOM 0 HA LEU p 57 -0.589 -5.676 -4.116 1.00 0.00 H new ATOM 0 HB2 LEU p 57 0.679 -7.752 -5.789 1.00 0.00 H new ATOM 0 HB3 LEU p 57 0.164 -6.325 -6.666 1.00 0.00 H new ATOM 0 HG LEU p 57 1.539 -4.919 -5.119 1.00 0.00 H new ATOM 0 HD11 LEU p 57 3.207 -5.988 -3.705 1.00 0.00 H new ATOM 0 HD12 LEU p 57 1.554 -6.374 -3.173 1.00 0.00 H new ATOM 0 HD13 LEU p 57 2.505 -7.582 -4.069 1.00 0.00 H new ATOM 0 HD21 LEU p 57 3.676 -5.662 -6.128 1.00 0.00 H new ATOM 0 HD22 LEU p 57 2.932 -7.225 -6.539 1.00 0.00 H new ATOM 0 HD23 LEU p 57 2.348 -5.732 -7.311 1.00 0.00 H new ATOM 922 N ALA p 58 -2.388 -7.582 -6.107 1.00 0.00 N ATOM 923 CA ALA p 58 -3.638 -7.702 -6.886 1.00 0.00 C ATOM 924 C ALA p 58 -4.854 -7.541 -5.967 1.00 0.00 C ATOM 925 O ALA p 58 -5.974 -7.329 -6.432 1.00 0.00 O ATOM 926 CB ALA p 58 -3.713 -9.029 -7.627 1.00 0.00 C ATOM 0 H ALA p 58 -1.864 -8.453 -6.021 1.00 0.00 H new ATOM 0 HA ALA p 58 -3.642 -6.905 -7.630 1.00 0.00 H new ATOM 0 HB1 ALA p 58 -4.646 -9.080 -8.188 1.00 0.00 H new ATOM 0 HB2 ALA p 58 -2.871 -9.110 -8.315 1.00 0.00 H new ATOM 0 HB3 ALA p 58 -3.676 -9.849 -6.910 1.00 0.00 H new ATOM 932 N GLN p 59 -4.591 -7.665 -4.658 1.00 0.00 N ATOM 933 CA GLN p 59 -5.566 -7.501 -3.605 1.00 0.00 C ATOM 934 C GLN p 59 -5.474 -6.062 -3.099 1.00 0.00 C ATOM 935 O GLN p 59 -6.436 -5.504 -2.581 1.00 0.00 O ATOM 936 CB GLN p 59 -5.238 -8.506 -2.497 1.00 0.00 C ATOM 937 CG GLN p 59 -5.808 -8.161 -1.142 1.00 0.00 C ATOM 938 CD GLN p 59 -6.717 -9.239 -0.585 1.00 0.00 C ATOM 939 OE1 GLN p 59 -7.926 -9.232 -0.821 1.00 0.00 O ATOM 940 NE2 GLN p 59 -6.139 -10.174 0.162 1.00 0.00 N ATOM 0 H GLN p 59 -3.660 -7.890 -4.307 1.00 0.00 H new ATOM 0 HA GLN p 59 -6.582 -7.685 -3.954 1.00 0.00 H new ATOM 0 HB2 GLN p 59 -5.610 -9.487 -2.793 1.00 0.00 H new ATOM 0 HB3 GLN p 59 -4.155 -8.589 -2.410 1.00 0.00 H new ATOM 0 HG2 GLN p 59 -4.989 -7.989 -0.444 1.00 0.00 H new ATOM 0 HG3 GLN p 59 -6.365 -7.227 -1.216 1.00 0.00 H new ATOM 0 HE21 GLN p 59 -5.134 -10.142 0.332 1.00 0.00 H new ATOM 0 HE22 GLN p 59 -6.701 -10.924 0.565 1.00 0.00 H new ATOM 949 N LEU p 60 -4.270 -5.507 -3.268 1.00 0.00 N ATOM 950 CA LEU p 60 -3.925 -4.139 -2.894 1.00 0.00 C ATOM 951 C LEU p 60 -4.505 -3.173 -3.929 1.00 0.00 C ATOM 952 O LEU p 60 -5.074 -2.142 -3.600 1.00 0.00 O ATOM 953 CB LEU p 60 -2.398 -4.037 -2.866 1.00 0.00 C ATOM 954 CG LEU p 60 -1.767 -3.046 -1.890 1.00 0.00 C ATOM 955 CD1 LEU p 60 -0.268 -3.113 -2.055 1.00 0.00 C ATOM 956 CD2 LEU p 60 -2.259 -1.629 -2.130 1.00 0.00 C ATOM 0 H LEU p 60 -3.488 -6.015 -3.681 1.00 0.00 H new ATOM 0 HA LEU p 60 -4.334 -3.883 -1.916 1.00 0.00 H new ATOM 0 HB2 LEU p 60 -2.001 -5.027 -2.642 1.00 0.00 H new ATOM 0 HB3 LEU p 60 -2.061 -3.778 -3.870 1.00 0.00 H new ATOM 0 HG LEU p 60 -2.054 -3.315 -0.873 1.00 0.00 H new ATOM 0 HD11 LEU p 60 0.205 -2.413 -1.367 1.00 0.00 H new ATOM 0 HD12 LEU p 60 0.077 -4.124 -1.838 1.00 0.00 H new ATOM 0 HD13 LEU p 60 -0.003 -2.851 -3.079 1.00 0.00 H new ATOM 0 HD21 LEU p 60 -1.787 -0.954 -1.416 1.00 0.00 H new ATOM 0 HD22 LEU p 60 -2.003 -1.322 -3.144 1.00 0.00 H new ATOM 0 HD23 LEU p 60 -3.341 -1.593 -2.003 1.00 0.00 H new ATOM 968 N LYS p 61 -4.305 -3.564 -5.180 1.00 0.00 N ATOM 969 CA LYS p 61 -4.800 -2.892 -6.377 1.00 0.00 C ATOM 970 C LYS p 61 -6.308 -3.044 -6.410 1.00 0.00 C ATOM 971 O LYS p 61 -7.040 -2.189 -6.916 1.00 0.00 O ATOM 972 CB LYS p 61 -4.166 -3.520 -7.625 1.00 0.00 C ATOM 973 CG LYS p 61 -3.295 -2.566 -8.436 1.00 0.00 C ATOM 974 CD LYS p 61 -4.107 -1.789 -9.467 1.00 0.00 C ATOM 975 CE LYS p 61 -3.232 -0.844 -10.280 1.00 0.00 C ATOM 976 NZ LYS p 61 -2.800 0.344 -9.490 1.00 0.00 N ATOM 0 H LYS p 61 -3.766 -4.401 -5.400 1.00 0.00 H new ATOM 0 HA LYS p 61 -4.536 -1.835 -6.361 1.00 0.00 H new ATOM 0 HB2 LYS p 61 -3.562 -4.374 -7.320 1.00 0.00 H new ATOM 0 HB3 LYS p 61 -4.959 -3.903 -8.267 1.00 0.00 H new ATOM 0 HG2 LYS p 61 -2.799 -1.867 -7.763 1.00 0.00 H new ATOM 0 HG3 LYS p 61 -2.512 -3.131 -8.942 1.00 0.00 H new ATOM 0 HD2 LYS p 61 -4.608 -2.488 -10.137 1.00 0.00 H new ATOM 0 HD3 LYS p 61 -4.886 -1.219 -8.961 1.00 0.00 H new ATOM 0 HE2 LYS p 61 -2.353 -1.381 -10.635 1.00 0.00 H new ATOM 0 HE3 LYS p 61 -3.780 -0.512 -11.162 1.00 0.00 H new ATOM 0 HZ1 LYS p 61 -2.076 0.869 -10.021 1.00 0.00 H new ATOM 0 HZ2 LYS p 61 -3.618 0.962 -9.317 1.00 0.00 H new ATOM 0 HZ3 LYS p 61 -2.404 0.031 -8.581 1.00 0.00 H new ATOM 990 N TRP p 62 -6.741 -4.181 -5.845 1.00 0.00 N ATOM 991 CA TRP p 62 -8.150 -4.499 -5.665 1.00 0.00 C ATOM 992 C TRP p 62 -8.623 -3.677 -4.489 1.00 0.00 C ATOM 993 O TRP p 62 -9.796 -3.313 -4.381 1.00 0.00 O ATOM 994 CB TRP p 62 -8.357 -5.982 -5.385 1.00 0.00 C ATOM 995 CG TRP p 62 -9.513 -6.576 -6.137 1.00 0.00 C ATOM 996 CD1 TRP p 62 -10.788 -6.738 -5.676 1.00 0.00 C ATOM 997 CD2 TRP p 62 -9.504 -7.087 -7.480 1.00 0.00 C ATOM 998 NE1 TRP p 62 -11.572 -7.315 -6.645 1.00 0.00 N ATOM 999 CE2 TRP p 62 -10.809 -7.540 -7.760 1.00 0.00 C ATOM 1000 CE3 TRP p 62 -8.524 -7.208 -8.474 1.00 0.00 C ATOM 1001 CZ2 TRP p 62 -11.156 -8.100 -8.988 1.00 0.00 C ATOM 1002 CZ3 TRP p 62 -8.872 -7.764 -9.691 1.00 0.00 C ATOM 1003 CH2 TRP p 62 -10.177 -8.204 -9.938 1.00 0.00 C ATOM 0 H TRP p 62 -6.112 -4.906 -5.500 1.00 0.00 H new ATOM 0 HA TRP p 62 -8.711 -4.271 -6.571 1.00 0.00 H new ATOM 0 HB2 TRP p 62 -7.447 -6.524 -5.645 1.00 0.00 H new ATOM 0 HB3 TRP p 62 -8.518 -6.123 -4.316 1.00 0.00 H new ATOM 0 HD1 TRP p 62 -11.130 -6.454 -4.692 1.00 0.00 H new ATOM 0 HE1 TRP p 62 -12.562 -7.540 -6.550 1.00 0.00 H new ATOM 0 HE3 TRP p 62 -7.514 -6.873 -8.293 1.00 0.00 H new ATOM 0 HZ2 TRP p 62 -12.162 -8.440 -9.183 1.00 0.00 H new ATOM 0 HZ3 TRP p 62 -8.124 -7.860 -10.464 1.00 0.00 H new ATOM 0 HH2 TRP p 62 -10.417 -8.635 -10.899 1.00 0.00 H new ATOM 1014 N LYS p 63 -7.653 -3.405 -3.600 1.00 0.00 N ATOM 1015 CA LYS p 63 -7.883 -2.541 -2.441 1.00 0.00 C ATOM 1016 C LYS p 63 -7.900 -1.088 -2.901 1.00 0.00 C ATOM 1017 O LYS p 63 -8.562 -0.260 -2.296 1.00 0.00 O ATOM 1018 CB LYS p 63 -6.836 -2.749 -1.347 1.00 0.00 C ATOM 1019 CG LYS p 63 -7.227 -3.791 -0.314 1.00 0.00 C ATOM 1020 CD LYS p 63 -6.283 -3.781 0.878 1.00 0.00 C ATOM 1021 CE LYS p 63 -6.674 -4.828 1.909 1.00 0.00 C ATOM 1022 NZ LYS p 63 -5.748 -4.833 3.075 1.00 0.00 N ATOM 0 H LYS p 63 -6.704 -3.773 -3.666 1.00 0.00 H new ATOM 0 HA LYS p 63 -8.846 -2.804 -2.003 1.00 0.00 H new ATOM 0 HB2 LYS p 63 -5.895 -3.045 -1.810 1.00 0.00 H new ATOM 0 HB3 LYS p 63 -6.658 -1.799 -0.842 1.00 0.00 H new ATOM 0 HG2 LYS p 63 -8.245 -3.602 0.026 1.00 0.00 H new ATOM 0 HG3 LYS p 63 -7.223 -4.779 -0.774 1.00 0.00 H new ATOM 0 HD2 LYS p 63 -5.264 -3.967 0.538 1.00 0.00 H new ATOM 0 HD3 LYS p 63 -6.290 -2.794 1.340 1.00 0.00 H new ATOM 0 HE2 LYS p 63 -7.690 -4.636 2.253 1.00 0.00 H new ATOM 0 HE3 LYS p 63 -6.676 -5.813 1.443 1.00 0.00 H new ATOM 0 HZ1 LYS p 63 -6.049 -5.561 3.754 1.00 0.00 H new ATOM 0 HZ2 LYS p 63 -4.782 -5.041 2.750 1.00 0.00 H new ATOM 0 HZ3 LYS p 63 -5.765 -3.901 3.536 1.00 0.00 H new ATOM 1036 N LEU p 64 -7.156 -0.819 -3.994 1.00 0.00 N ATOM 1037 CA LEU p 64 -7.087 0.502 -4.649 1.00 0.00 C ATOM 1038 C LEU p 64 -8.413 0.788 -5.312 1.00 0.00 C ATOM 1039 O LEU p 64 -9.013 1.825 -5.168 1.00 0.00 O ATOM 1040 CB LEU p 64 -6.012 0.486 -5.730 1.00 0.00 C ATOM 1041 CG LEU p 64 -4.685 1.166 -5.418 1.00 0.00 C ATOM 1042 CD1 LEU p 64 -3.799 0.270 -4.574 1.00 0.00 C ATOM 1043 CD2 LEU p 64 -4.005 1.492 -6.724 1.00 0.00 C ATOM 0 H LEU p 64 -6.578 -1.524 -4.452 1.00 0.00 H new ATOM 0 HA LEU p 64 -6.854 1.261 -3.902 1.00 0.00 H new ATOM 0 HB2 LEU p 64 -5.805 -0.554 -5.982 1.00 0.00 H new ATOM 0 HB3 LEU p 64 -6.427 0.954 -6.623 1.00 0.00 H new ATOM 0 HG LEU p 64 -4.867 2.077 -4.847 1.00 0.00 H new ATOM 0 HD11 LEU p 64 -2.858 0.780 -4.366 1.00 0.00 H new ATOM 0 HD12 LEU p 64 -4.303 0.041 -3.635 1.00 0.00 H new ATOM 0 HD13 LEU p 64 -3.598 -0.656 -5.114 1.00 0.00 H new ATOM 0 HD21 LEU p 64 -3.051 1.980 -6.525 1.00 0.00 H new ATOM 0 HD22 LEU p 64 -3.832 0.573 -7.284 1.00 0.00 H new ATOM 0 HD23 LEU p 64 -4.639 2.159 -7.308 1.00 0.00 H new ATOM 1055 N GLN p 65 -8.842 -0.188 -6.055 1.00 0.00 N ATOM 1056 CA GLN p 65 -10.145 -0.176 -6.740 1.00 0.00 C ATOM 1057 C GLN p 65 -11.216 0.280 -5.741 1.00 0.00 C ATOM 1058 O GLN p 65 -12.303 0.707 -6.097 1.00 0.00 O ATOM 1059 CB GLN p 65 -10.429 -1.586 -7.296 1.00 0.00 C ATOM 1060 CG GLN p 65 -11.584 -2.359 -6.652 1.00 0.00 C ATOM 1061 CD GLN p 65 -12.898 -2.171 -7.387 1.00 0.00 C ATOM 1062 OE1 GLN p 65 -13.677 -1.271 -7.074 1.00 0.00 O ATOM 1063 NE2 GLN p 65 -13.150 -3.023 -8.373 1.00 0.00 N ATOM 0 H GLN p 65 -8.304 -1.039 -6.219 1.00 0.00 H new ATOM 0 HA GLN p 65 -10.148 0.519 -7.580 1.00 0.00 H new ATOM 0 HB2 GLN p 65 -10.633 -1.496 -8.363 1.00 0.00 H new ATOM 0 HB3 GLN p 65 -9.522 -2.181 -7.193 1.00 0.00 H new ATOM 0 HG2 GLN p 65 -11.336 -3.420 -6.626 1.00 0.00 H new ATOM 0 HG3 GLN p 65 -11.701 -2.034 -5.618 1.00 0.00 H new ATOM 0 HE21 GLN p 65 -12.476 -3.755 -8.599 1.00 0.00 H new ATOM 0 HE22 GLN p 65 -14.017 -2.946 -8.904 1.00 0.00 H new ATOM 1072 N ALA p 66 -10.875 0.019 -4.491 1.00 0.00 N ATOM 1073 CA ALA p 66 -11.646 0.393 -3.320 1.00 0.00 C ATOM 1074 C ALA p 66 -11.088 1.638 -2.634 1.00 0.00 C ATOM 1075 O ALA p 66 -11.850 2.469 -2.156 1.00 0.00 O ATOM 1076 CB ALA p 66 -11.750 -0.769 -2.344 1.00 0.00 C ATOM 0 H ALA p 66 -10.017 -0.480 -4.255 1.00 0.00 H new ATOM 0 HA ALA p 66 -12.650 0.643 -3.664 1.00 0.00 H new ATOM 0 HB1 ALA p 66 -12.332 -0.463 -1.475 1.00 0.00 H new ATOM 0 HB2 ALA p 66 -12.241 -1.611 -2.832 1.00 0.00 H new ATOM 0 HB3 ALA p 66 -10.751 -1.067 -2.025 1.00 0.00 H new ATOM 1082 N LEU p 67 -9.741 1.743 -2.606 1.00 0.00 N ATOM 1083 CA LEU p 67 -9.016 2.830 -1.949 1.00 0.00 C ATOM 1084 C LEU p 67 -8.932 4.024 -2.878 1.00 0.00 C ATOM 1085 O LEU p 67 -9.146 5.155 -2.469 1.00 0.00 O ATOM 1086 CB LEU p 67 -7.618 2.320 -1.505 1.00 0.00 C ATOM 1087 CG LEU p 67 -6.380 3.004 -2.115 1.00 0.00 C ATOM 1088 CD1 LEU p 67 -6.126 4.333 -1.445 1.00 0.00 C ATOM 1089 CD2 LEU p 67 -5.169 2.106 -2.008 1.00 0.00 C ATOM 0 H LEU p 67 -9.126 1.060 -3.049 1.00 0.00 H new ATOM 0 HA LEU p 67 -9.546 3.157 -1.054 1.00 0.00 H new ATOM 0 HB2 LEU p 67 -7.554 2.416 -0.421 1.00 0.00 H new ATOM 0 HB3 LEU p 67 -7.561 1.256 -1.734 1.00 0.00 H new ATOM 0 HG LEU p 67 -6.572 3.187 -3.172 1.00 0.00 H new ATOM 0 HD11 LEU p 67 -5.248 4.802 -1.889 1.00 0.00 H new ATOM 0 HD12 LEU p 67 -6.992 4.981 -1.582 1.00 0.00 H new ATOM 0 HD13 LEU p 67 -5.955 4.177 -0.380 1.00 0.00 H new ATOM 0 HD21 LEU p 67 -4.305 2.607 -2.444 1.00 0.00 H new ATOM 0 HD22 LEU p 67 -4.970 1.887 -0.959 1.00 0.00 H new ATOM 0 HD23 LEU p 67 -5.358 1.175 -2.543 1.00 0.00 H new ATOM 1101 N LYS p 68 -8.558 3.730 -4.115 1.00 0.00 N ATOM 1102 CA LYS p 68 -8.491 4.705 -5.193 1.00 0.00 C ATOM 1103 C LYS p 68 -9.897 5.154 -5.506 1.00 0.00 C ATOM 1104 O LYS p 68 -10.102 6.283 -5.939 1.00 0.00 O ATOM 1105 CB LYS p 68 -7.812 4.142 -6.447 1.00 0.00 C ATOM 1106 CG LYS p 68 -6.381 4.624 -6.638 1.00 0.00 C ATOM 1107 CD LYS p 68 -5.946 4.519 -8.092 1.00 0.00 C ATOM 1108 CE LYS p 68 -4.566 5.121 -8.306 1.00 0.00 C ATOM 1109 NZ LYS p 68 -4.090 4.939 -9.705 1.00 0.00 N ATOM 0 H LYS p 68 -8.288 2.789 -4.402 1.00 0.00 H new ATOM 0 HA LYS p 68 -7.881 5.548 -4.869 1.00 0.00 H new ATOM 0 HB2 LYS p 68 -7.815 3.053 -6.393 1.00 0.00 H new ATOM 0 HB3 LYS p 68 -8.399 4.419 -7.323 1.00 0.00 H new ATOM 0 HG2 LYS p 68 -6.297 5.659 -6.306 1.00 0.00 H new ATOM 0 HG3 LYS p 68 -5.711 4.034 -6.013 1.00 0.00 H new ATOM 0 HD2 LYS p 68 -5.939 3.472 -8.396 1.00 0.00 H new ATOM 0 HD3 LYS p 68 -6.670 5.030 -8.727 1.00 0.00 H new ATOM 0 HE2 LYS p 68 -4.593 6.184 -8.068 1.00 0.00 H new ATOM 0 HE3 LYS p 68 -3.858 4.658 -7.619 1.00 0.00 H new ATOM 0 HZ1 LYS p 68 -3.146 5.363 -9.809 1.00 0.00 H new ATOM 0 HZ2 LYS p 68 -4.039 3.924 -9.925 1.00 0.00 H new ATOM 0 HZ3 LYS p 68 -4.752 5.403 -10.360 1.00 0.00 H new ATOM 1123 N LYS p 69 -10.866 4.232 -5.311 1.00 0.00 N ATOM 1124 CA LYS p 69 -12.266 4.559 -5.451 1.00 0.00 C ATOM 1125 C LYS p 69 -12.745 5.228 -4.168 1.00 0.00 C ATOM 1126 O LYS p 69 -13.811 5.841 -4.133 1.00 0.00 O ATOM 1127 CB LYS p 69 -13.052 3.304 -5.753 1.00 0.00 C ATOM 1128 CG LYS p 69 -13.417 3.164 -7.218 1.00 0.00 C ATOM 1129 CD LYS p 69 -12.207 2.917 -8.119 1.00 0.00 C ATOM 1130 CE LYS p 69 -12.600 2.860 -9.590 1.00 0.00 C ATOM 1131 NZ LYS p 69 -12.936 4.207 -10.135 1.00 0.00 N ATOM 0 H LYS p 69 -10.684 3.261 -5.057 1.00 0.00 H new ATOM 0 HA LYS p 69 -12.417 5.251 -6.279 1.00 0.00 H new ATOM 0 HB2 LYS p 69 -12.469 2.436 -5.446 1.00 0.00 H new ATOM 0 HB3 LYS p 69 -13.964 3.302 -5.156 1.00 0.00 H new ATOM 0 HG2 LYS p 69 -14.122 2.340 -7.333 1.00 0.00 H new ATOM 0 HG3 LYS p 69 -13.928 4.069 -7.547 1.00 0.00 H new ATOM 0 HD2 LYS p 69 -11.474 3.710 -7.969 1.00 0.00 H new ATOM 0 HD3 LYS p 69 -11.727 1.981 -7.834 1.00 0.00 H new ATOM 0 HE2 LYS p 69 -11.781 2.430 -10.167 1.00 0.00 H new ATOM 0 HE3 LYS p 69 -13.457 2.197 -9.710 1.00 0.00 H new ATOM 0 HZ1 LYS p 69 -13.131 4.130 -11.154 1.00 0.00 H new ATOM 0 HZ2 LYS p 69 -13.776 4.579 -9.648 1.00 0.00 H new ATOM 0 HZ3 LYS p 69 -12.135 4.852 -9.984 1.00 0.00 H new ATOM 1145 N LYS p 70 -11.921 5.064 -3.119 1.00 0.00 N ATOM 1146 CA LYS p 70 -12.128 5.691 -1.819 1.00 0.00 C ATOM 1147 C LYS p 70 -11.374 7.010 -1.822 1.00 0.00 C ATOM 1148 O LYS p 70 -11.674 7.917 -1.053 1.00 0.00 O ATOM 1149 CB LYS p 70 -11.615 4.810 -0.692 1.00 0.00 C ATOM 1150 CG LYS p 70 -12.709 4.212 0.178 1.00 0.00 C ATOM 1151 CD LYS p 70 -12.928 5.023 1.448 1.00 0.00 C ATOM 1152 CE LYS p 70 -14.016 4.419 2.324 1.00 0.00 C ATOM 1153 NZ LYS p 70 -15.378 4.630 1.756 1.00 0.00 N ATOM 0 H LYS p 70 -11.084 4.483 -3.159 1.00 0.00 H new ATOM 0 HA LYS p 70 -13.194 5.846 -1.653 1.00 0.00 H new ATOM 0 HB2 LYS p 70 -11.023 4.001 -1.119 1.00 0.00 H new ATOM 0 HB3 LYS p 70 -10.946 5.397 -0.063 1.00 0.00 H new ATOM 0 HG2 LYS p 70 -13.639 4.165 -0.388 1.00 0.00 H new ATOM 0 HG3 LYS p 70 -12.445 3.188 0.442 1.00 0.00 H new ATOM 0 HD2 LYS p 70 -11.996 5.076 2.011 1.00 0.00 H new ATOM 0 HD3 LYS p 70 -13.199 6.045 1.184 1.00 0.00 H new ATOM 0 HE2 LYS p 70 -13.835 3.351 2.441 1.00 0.00 H new ATOM 0 HE3 LYS p 70 -13.967 4.862 3.319 1.00 0.00 H new ATOM 0 HZ1 LYS p 70 -16.093 4.341 2.453 1.00 0.00 H new ATOM 0 HZ2 LYS p 70 -15.506 5.636 1.526 1.00 0.00 H new ATOM 0 HZ3 LYS p 70 -15.486 4.061 0.892 1.00 0.00 H new ATOM 1167 N ASN p 71 -10.360 7.049 -2.702 1.00 0.00 N ATOM 1168 CA ASN p 71 -9.526 8.229 -2.942 1.00 0.00 C ATOM 1169 C ASN p 71 -10.192 9.056 -4.037 1.00 0.00 C ATOM 1170 O ASN p 71 -9.868 10.222 -4.244 1.00 0.00 O ATOM 1171 CB ASN p 71 -8.109 7.832 -3.369 1.00 0.00 C ATOM 1172 CG ASN p 71 -7.067 8.849 -2.941 1.00 0.00 C ATOM 1173 OD1 ASN p 71 -6.501 8.757 -1.852 1.00 0.00 O ATOM 1174 ND2 ASN p 71 -6.808 9.828 -3.801 1.00 0.00 N ATOM 0 H ASN p 71 -10.096 6.247 -3.274 1.00 0.00 H new ATOM 0 HA ASN p 71 -9.436 8.806 -2.022 1.00 0.00 H new ATOM 0 HB2 ASN p 71 -7.862 6.861 -2.940 1.00 0.00 H new ATOM 0 HB3 ASN p 71 -8.078 7.719 -4.453 1.00 0.00 H new ATOM 0 HD21 ASN p 71 -6.117 10.541 -3.569 1.00 0.00 H new ATOM 0 HD22 ASN p 71 -7.301 9.866 -4.693 1.00 0.00 H new ATOM 1181 N ALA p 72 -11.115 8.377 -4.735 1.00 0.00 N ATOM 1182 CA ALA p 72 -11.954 8.938 -5.787 1.00 0.00 C ATOM 1183 C ALA p 72 -13.229 9.376 -5.115 1.00 0.00 C ATOM 1184 O ALA p 72 -13.973 10.206 -5.626 1.00 0.00 O ATOM 1185 CB ALA p 72 -12.251 7.927 -6.885 1.00 0.00 C ATOM 0 H ALA p 72 -11.299 7.387 -4.571 1.00 0.00 H new ATOM 0 HA ALA p 72 -11.444 9.768 -6.275 1.00 0.00 H new ATOM 0 HB1 ALA p 72 -12.879 8.390 -7.646 1.00 0.00 H new ATOM 0 HB2 ALA p 72 -11.316 7.596 -7.338 1.00 0.00 H new ATOM 0 HB3 ALA p 72 -12.771 7.069 -6.459 1.00 0.00 H new ATOM 1191 N GLN p 73 -13.452 8.745 -3.946 1.00 0.00 N ATOM 1192 CA GLN p 73 -14.536 9.011 -3.056 1.00 0.00 C ATOM 1193 C GLN p 73 -14.113 10.186 -2.208 1.00 0.00 C ATOM 1194 O GLN p 73 -14.912 11.019 -1.803 1.00 0.00 O ATOM 1195 CB GLN p 73 -14.700 7.787 -2.196 1.00 0.00 C ATOM 1196 CG GLN p 73 -15.850 7.855 -1.254 1.00 0.00 C ATOM 1197 CD GLN p 73 -16.936 6.839 -1.548 1.00 0.00 C ATOM 1198 OE1 GLN p 73 -17.868 7.111 -2.304 1.00 0.00 O ATOM 1199 NE2 GLN p 73 -16.819 5.659 -0.949 1.00 0.00 N ATOM 0 H GLN p 73 -12.837 8.006 -3.605 1.00 0.00 H new ATOM 0 HA GLN p 73 -15.472 9.234 -3.569 1.00 0.00 H new ATOM 0 HB2 GLN p 73 -14.824 6.917 -2.841 1.00 0.00 H new ATOM 0 HB3 GLN p 73 -13.785 7.633 -1.624 1.00 0.00 H new ATOM 0 HG2 GLN p 73 -15.486 7.702 -0.238 1.00 0.00 H new ATOM 0 HG3 GLN p 73 -16.281 8.856 -1.291 1.00 0.00 H new ATOM 0 HE21 GLN p 73 -16.029 5.477 -0.330 1.00 0.00 H new ATOM 0 HE22 GLN p 73 -17.519 4.935 -1.108 1.00 0.00 H new ATOM 1208 N LEU p 74 -12.814 10.150 -1.925 1.00 0.00 N ATOM 1209 CA LEU p 74 -12.099 11.184 -1.192 1.00 0.00 C ATOM 1210 C LEU p 74 -11.873 12.356 -2.127 1.00 0.00 C ATOM 1211 O LEU p 74 -11.847 13.492 -1.713 1.00 0.00 O ATOM 1212 CB LEU p 74 -10.765 10.639 -0.688 1.00 0.00 C ATOM 1213 CG LEU p 74 -10.153 11.310 0.547 1.00 0.00 C ATOM 1214 CD1 LEU p 74 -10.982 11.060 1.806 1.00 0.00 C ATOM 1215 CD2 LEU p 74 -8.748 10.778 0.730 1.00 0.00 C ATOM 0 H LEU p 74 -12.214 9.376 -2.209 1.00 0.00 H new ATOM 0 HA LEU p 74 -12.680 11.506 -0.328 1.00 0.00 H new ATOM 0 HB2 LEU p 74 -10.895 9.580 -0.467 1.00 0.00 H new ATOM 0 HB3 LEU p 74 -10.043 10.708 -1.502 1.00 0.00 H new ATOM 0 HG LEU p 74 -10.138 12.388 0.389 1.00 0.00 H new ATOM 0 HD11 LEU p 74 -10.511 11.554 2.656 1.00 0.00 H new ATOM 0 HD12 LEU p 74 -11.986 11.459 1.665 1.00 0.00 H new ATOM 0 HD13 LEU p 74 -11.041 9.988 1.996 1.00 0.00 H new ATOM 0 HD21 LEU p 74 -8.294 11.243 1.605 1.00 0.00 H new ATOM 0 HD22 LEU p 74 -8.783 9.698 0.871 1.00 0.00 H new ATOM 0 HD23 LEU p 74 -8.153 11.009 -0.154 1.00 0.00 H new ATOM 1227 N LYS p 75 -11.758 12.030 -3.411 1.00 0.00 N ATOM 1228 CA LYS p 75 -11.600 13.013 -4.477 1.00 0.00 C ATOM 1229 C LYS p 75 -12.986 13.499 -4.818 1.00 0.00 C ATOM 1230 O LYS p 75 -13.180 14.566 -5.408 1.00 0.00 O ATOM 1231 CB LYS p 75 -10.941 12.393 -5.700 1.00 0.00 C ATOM 1232 CG LYS p 75 -9.615 13.026 -6.085 1.00 0.00 C ATOM 1233 CD LYS p 75 -9.756 13.921 -7.305 1.00 0.00 C ATOM 1234 CE LYS p 75 -8.425 14.543 -7.695 1.00 0.00 C ATOM 1235 NZ LYS p 75 -8.549 15.407 -8.902 1.00 0.00 N ATOM 0 H LYS p 75 -11.772 11.066 -3.744 1.00 0.00 H new ATOM 0 HA LYS p 75 -10.958 13.833 -4.154 1.00 0.00 H new ATOM 0 HB2 LYS p 75 -10.782 11.331 -5.513 1.00 0.00 H new ATOM 0 HB3 LYS p 75 -11.625 12.469 -6.545 1.00 0.00 H new ATOM 0 HG2 LYS p 75 -9.233 13.609 -5.247 1.00 0.00 H new ATOM 0 HG3 LYS p 75 -8.884 12.244 -6.289 1.00 0.00 H new ATOM 0 HD2 LYS p 75 -10.146 13.340 -8.141 1.00 0.00 H new ATOM 0 HD3 LYS p 75 -10.480 14.709 -7.098 1.00 0.00 H new ATOM 0 HE2 LYS p 75 -8.043 15.134 -6.863 1.00 0.00 H new ATOM 0 HE3 LYS p 75 -7.698 13.754 -7.886 1.00 0.00 H new ATOM 0 HZ1 LYS p 75 -7.620 15.812 -9.136 1.00 0.00 H new ATOM 0 HZ2 LYS p 75 -8.890 14.838 -9.703 1.00 0.00 H new ATOM 0 HZ3 LYS p 75 -9.224 16.175 -8.711 1.00 0.00 H new ATOM 1249 N LYS p 76 -13.948 12.657 -4.417 1.00 0.00 N ATOM 1250 CA LYS p 76 -15.364 12.957 -4.562 1.00 0.00 C ATOM 1251 C LYS p 76 -15.792 13.714 -3.330 1.00 0.00 C ATOM 1252 O LYS p 76 -16.685 14.566 -3.379 1.00 0.00 O ATOM 1253 CB LYS p 76 -16.189 11.688 -4.720 1.00 0.00 C ATOM 1254 CG LYS p 76 -16.709 11.454 -6.130 1.00 0.00 C ATOM 1255 CD LYS p 76 -18.122 11.990 -6.307 1.00 0.00 C ATOM 1256 CE LYS p 76 -18.640 11.745 -7.715 1.00 0.00 C ATOM 1257 NZ LYS p 76 -20.024 12.265 -7.896 1.00 0.00 N ATOM 0 H LYS p 76 -13.759 11.753 -3.985 1.00 0.00 H new ATOM 0 HA LYS p 76 -15.527 13.552 -5.461 1.00 0.00 H new ATOM 0 HB2 LYS p 76 -15.581 10.834 -4.422 1.00 0.00 H new ATOM 0 HB3 LYS p 76 -17.036 11.731 -4.035 1.00 0.00 H new ATOM 0 HG2 LYS p 76 -16.045 11.936 -6.847 1.00 0.00 H new ATOM 0 HG3 LYS p 76 -16.695 10.387 -6.350 1.00 0.00 H new ATOM 0 HD2 LYS p 76 -18.786 11.513 -5.586 1.00 0.00 H new ATOM 0 HD3 LYS p 76 -18.136 13.059 -6.094 1.00 0.00 H new ATOM 0 HE2 LYS p 76 -17.976 12.223 -8.435 1.00 0.00 H new ATOM 0 HE3 LYS p 76 -18.623 10.676 -7.927 1.00 0.00 H new ATOM 0 HZ1 LYS p 76 -20.341 12.078 -8.869 1.00 0.00 H new ATOM 0 HZ2 LYS p 76 -20.663 11.791 -7.227 1.00 0.00 H new ATOM 0 HZ3 LYS p 76 -20.036 13.290 -7.719 1.00 0.00 H new ATOM 1271 N LYS p 77 -15.129 13.379 -2.216 1.00 0.00 N ATOM 1272 CA LYS p 77 -15.353 14.056 -0.956 1.00 0.00 C ATOM 1273 C LYS p 77 -14.482 15.304 -0.883 1.00 0.00 C ATOM 1274 O LYS p 77 -14.717 16.188 -0.054 1.00 0.00 O ATOM 1275 CB LYS p 77 -15.062 13.127 0.214 1.00 0.00 C ATOM 1276 CG LYS p 77 -16.284 12.384 0.721 1.00 0.00 C ATOM 1277 CD LYS p 77 -16.021 11.734 2.070 1.00 0.00 C ATOM 1278 CE LYS p 77 -17.250 11.002 2.584 1.00 0.00 C ATOM 1279 NZ LYS p 77 -17.006 10.370 3.910 1.00 0.00 N ATOM 0 H LYS p 77 -14.431 12.637 -2.174 1.00 0.00 H new ATOM 0 HA LYS p 77 -16.400 14.352 -0.895 1.00 0.00 H new ATOM 0 HB2 LYS p 77 -14.306 12.402 -0.088 1.00 0.00 H new ATOM 0 HB3 LYS p 77 -14.636 13.709 1.031 1.00 0.00 H new ATOM 0 HG2 LYS p 77 -17.122 13.076 0.806 1.00 0.00 H new ATOM 0 HG3 LYS p 77 -16.573 11.621 -0.002 1.00 0.00 H new ATOM 0 HD2 LYS p 77 -15.190 11.035 1.982 1.00 0.00 H new ATOM 0 HD3 LYS p 77 -15.722 12.496 2.790 1.00 0.00 H new ATOM 0 HE2 LYS p 77 -18.082 11.701 2.663 1.00 0.00 H new ATOM 0 HE3 LYS p 77 -17.544 10.237 1.866 1.00 0.00 H new ATOM 0 HZ1 LYS p 77 -17.868 9.881 4.225 1.00 0.00 H new ATOM 0 HZ2 LYS p 77 -16.229 9.684 3.830 1.00 0.00 H new ATOM 0 HZ3 LYS p 77 -16.751 11.103 4.602 1.00 0.00 H new ATOM 1293 N LEU p 78 -13.464 15.360 -1.768 1.00 0.00 N ATOM 1294 CA LEU p 78 -12.557 16.516 -1.853 1.00 0.00 C ATOM 1295 C LEU p 78 -13.316 17.786 -2.258 1.00 0.00 C ATOM 1296 O LEU p 78 -13.342 18.778 -1.523 1.00 0.00 O ATOM 1297 CB LEU p 78 -11.446 16.179 -2.868 1.00 0.00 C ATOM 1298 CG LEU p 78 -10.402 17.259 -3.182 1.00 0.00 C ATOM 1299 CD1 LEU p 78 -9.127 16.587 -3.625 1.00 0.00 C ATOM 1300 CD2 LEU p 78 -10.890 18.196 -4.279 1.00 0.00 C ATOM 0 H LEU p 78 -13.253 14.616 -2.433 1.00 0.00 H new ATOM 0 HA LEU p 78 -12.116 16.715 -0.876 1.00 0.00 H new ATOM 0 HB2 LEU p 78 -10.916 15.299 -2.503 1.00 0.00 H new ATOM 0 HB3 LEU p 78 -11.925 15.896 -3.805 1.00 0.00 H new ATOM 0 HG LEU p 78 -10.230 17.852 -2.284 1.00 0.00 H new ATOM 0 HD11 LEU p 78 -8.376 17.344 -3.851 1.00 0.00 H new ATOM 0 HD12 LEU p 78 -8.761 15.940 -2.828 1.00 0.00 H new ATOM 0 HD13 LEU p 78 -9.321 15.990 -4.516 1.00 0.00 H new ATOM 0 HD21 LEU p 78 -10.129 18.950 -4.479 1.00 0.00 H new ATOM 0 HD22 LEU p 78 -11.082 17.624 -5.187 1.00 0.00 H new ATOM 0 HD23 LEU p 78 -11.809 18.685 -3.957 1.00 0.00 H new ATOM 1312 N GLN p 79 -13.923 17.715 -3.434 1.00 0.00 N ATOM 1313 CA GLN p 79 -14.700 18.807 -4.011 1.00 0.00 C ATOM 1314 C GLN p 79 -16.138 18.841 -3.490 1.00 0.00 C ATOM 1315 O GLN p 79 -16.664 19.906 -3.153 1.00 0.00 O ATOM 1316 CB GLN p 79 -14.687 18.707 -5.547 1.00 0.00 C ATOM 1317 CG GLN p 79 -14.788 17.289 -6.114 1.00 0.00 C ATOM 1318 CD GLN p 79 -14.776 17.266 -7.630 1.00 0.00 C ATOM 1319 OE1 GLN p 79 -15.825 17.340 -8.270 1.00 0.00 O ATOM 1320 NE2 GLN p 79 -13.588 17.163 -8.212 1.00 0.00 N ATOM 0 H GLN p 79 -13.890 16.884 -4.025 1.00 0.00 H new ATOM 0 HA GLN p 79 -14.229 19.740 -3.702 1.00 0.00 H new ATOM 0 HB2 GLN p 79 -15.515 19.297 -5.939 1.00 0.00 H new ATOM 0 HB3 GLN p 79 -13.768 19.163 -5.916 1.00 0.00 H new ATOM 0 HG2 GLN p 79 -13.957 16.691 -5.738 1.00 0.00 H new ATOM 0 HG3 GLN p 79 -15.705 16.822 -5.754 1.00 0.00 H new ATOM 0 HE21 GLN p 79 -12.744 17.104 -7.642 1.00 0.00 H new ATOM 0 HE22 GLN p 79 -13.519 17.143 -9.229 1.00 0.00 H new ATOM 1329 N ALA p 80 -16.750 17.668 -3.437 1.00 0.00 N ATOM 1330 CA ALA p 80 -18.128 17.519 -2.969 1.00 0.00 C ATOM 1331 C ALA p 80 -18.173 16.992 -1.535 1.00 0.00 C ATOM 1332 O ALA p 80 -17.745 15.840 -1.307 1.00 0.00 O ATOM 1333 CB ALA p 80 -18.912 16.608 -3.907 1.00 0.00 C ATOM 1334 OXT ALA p 80 -18.639 17.740 -0.649 1.00 0.00 O ATOM 0 H ALA p 80 -16.310 16.791 -3.716 1.00 0.00 H new ATOM 0 HA ALA p 80 -18.595 18.504 -2.973 1.00 0.00 H new ATOM 0 HB1 ALA p 80 -19.935 16.507 -3.545 1.00 0.00 H new ATOM 0 HB2 ALA p 80 -18.922 17.039 -4.908 1.00 0.00 H new ATOM 0 HB3 ALA p 80 -18.440 15.626 -3.939 1.00 0.00 H new