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 Set 1.1: p 11 ASN : amide:sc= -0.0334 K(o=0.023,f=-1.1!) USER MOD Set 1.2: p 71 ASN : amide:sc= 0.056 K(o=0.023,f=-1.1) USER MOD Single : p 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : p 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : p 16 GLN : amide:sc= 0 X(o=0,f=0.08) USER MOD Single : p 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : p 24 GLN : amide:sc= -0.14 K(o=-0.14,f=-1.7) USER MOD Single : p 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : p 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : p 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : p 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : p 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : p 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : p 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : p 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : p 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : p 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : p 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : p 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : p 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : p 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : p 76 LYS NZ :NH3+ 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 -5.567 20.165 6.306 1.00 0.00 N ATOM 38 CA ALA p 3 -6.408 19.181 6.990 1.00 0.00 C ATOM 39 C ALA p 3 -6.897 18.103 6.040 1.00 0.00 C ATOM 40 O ALA p 3 -6.995 16.938 6.407 1.00 0.00 O ATOM 41 CB ALA p 3 -7.581 19.870 7.675 1.00 0.00 C ATOM 0 HA ALA p 3 -5.797 18.692 7.749 1.00 0.00 H new ATOM 0 HB1 ALA p 3 -8.197 19.125 8.179 1.00 0.00 H new ATOM 0 HB2 ALA p 3 -7.206 20.586 8.407 1.00 0.00 H new ATOM 0 HB3 ALA p 3 -8.181 20.393 6.930 1.00 0.00 H new ATOM 47 N LEU p 4 -7.264 18.551 4.848 1.00 0.00 N ATOM 48 CA LEU p 4 -7.773 17.727 3.776 1.00 0.00 C ATOM 49 C LEU p 4 -6.644 17.359 2.829 1.00 0.00 C ATOM 50 O LEU p 4 -6.307 16.193 2.650 1.00 0.00 O ATOM 51 CB LEU p 4 -8.868 18.522 3.059 1.00 0.00 C ATOM 52 CG LEU p 4 -9.784 17.748 2.119 1.00 0.00 C ATOM 53 CD1 LEU p 4 -11.115 18.451 2.078 1.00 0.00 C ATOM 54 CD2 LEU p 4 -9.182 17.667 0.724 1.00 0.00 C ATOM 0 H LEU p 4 -7.211 19.538 4.598 1.00 0.00 H new ATOM 0 HA LEU p 4 -8.191 16.796 4.160 1.00 0.00 H new ATOM 0 HB2 LEU p 4 -9.488 19.003 3.816 1.00 0.00 H new ATOM 0 HB3 LEU p 4 -8.390 19.317 2.487 1.00 0.00 H new ATOM 0 HG LEU p 4 -9.909 16.728 2.481 1.00 0.00 H new ATOM 0 HD11 LEU p 4 -11.789 17.915 1.410 1.00 0.00 H new ATOM 0 HD12 LEU p 4 -11.543 18.479 3.080 1.00 0.00 H new ATOM 0 HD13 LEU p 4 -10.978 19.469 1.714 1.00 0.00 H new ATOM 0 HD21 LEU p 4 -9.853 17.110 0.070 1.00 0.00 H new ATOM 0 HD22 LEU p 4 -9.043 18.673 0.329 1.00 0.00 H new ATOM 0 HD23 LEU p 4 -8.219 17.159 0.772 1.00 0.00 H new ATOM 66 N GLU p 5 -6.088 18.414 2.234 1.00 0.00 N ATOM 67 CA GLU p 5 -4.983 18.342 1.259 1.00 0.00 C ATOM 68 C GLU p 5 -3.755 17.656 1.826 1.00 0.00 C ATOM 69 O GLU p 5 -3.014 17.010 1.091 1.00 0.00 O ATOM 70 CB GLU p 5 -4.583 19.741 0.779 1.00 0.00 C ATOM 71 CG GLU p 5 -5.744 20.715 0.678 1.00 0.00 C ATOM 72 CD GLU p 5 -5.865 21.351 -0.694 1.00 0.00 C ATOM 73 OE1 GLU p 5 -5.080 22.276 -0.991 1.00 0.00 O ATOM 74 OE2 GLU p 5 -6.743 20.922 -1.471 1.00 0.00 O ATOM 0 H GLU p 5 -6.396 19.369 2.416 1.00 0.00 H new ATOM 0 HA GLU p 5 -5.356 17.751 0.422 1.00 0.00 H new ATOM 0 HB2 GLU p 5 -3.838 20.149 1.462 1.00 0.00 H new ATOM 0 HB3 GLU p 5 -4.107 19.656 -0.198 1.00 0.00 H new ATOM 0 HG2 GLU p 5 -6.671 20.193 0.913 1.00 0.00 H new ATOM 0 HG3 GLU p 5 -5.621 21.498 1.426 1.00 0.00 H new ATOM 81 N LYS p 6 -3.556 17.822 3.128 1.00 0.00 N ATOM 82 CA LYS p 6 -2.424 17.210 3.831 1.00 0.00 C ATOM 83 C LYS p 6 -2.830 15.875 4.440 1.00 0.00 C ATOM 84 O LYS p 6 -1.984 15.134 4.925 1.00 0.00 O ATOM 85 CB LYS p 6 -1.846 18.130 4.903 1.00 0.00 C ATOM 86 CG LYS p 6 -0.938 19.235 4.370 1.00 0.00 C ATOM 87 CD LYS p 6 0.473 18.733 4.081 1.00 0.00 C ATOM 88 CE LYS p 6 1.376 19.857 3.601 1.00 0.00 C ATOM 89 NZ LYS p 6 2.762 19.382 3.337 1.00 0.00 N ATOM 0 H LYS p 6 -4.166 18.379 3.726 1.00 0.00 H new ATOM 0 HA LYS p 6 -1.641 17.040 3.092 1.00 0.00 H new ATOM 0 HB2 LYS p 6 -2.669 18.587 5.453 1.00 0.00 H new ATOM 0 HB3 LYS p 6 -1.283 17.527 5.615 1.00 0.00 H new ATOM 0 HG2 LYS p 6 -1.369 19.648 3.458 1.00 0.00 H new ATOM 0 HG3 LYS p 6 -0.891 20.046 5.096 1.00 0.00 H new ATOM 0 HD2 LYS p 6 0.893 18.287 4.982 1.00 0.00 H new ATOM 0 HD3 LYS p 6 0.434 17.948 3.325 1.00 0.00 H new ATOM 0 HE2 LYS p 6 0.962 20.292 2.691 1.00 0.00 H new ATOM 0 HE3 LYS p 6 1.400 20.648 4.350 1.00 0.00 H new ATOM 0 HZ1 LYS p 6 3.346 20.179 3.012 1.00 0.00 H new ATOM 0 HZ2 LYS p 6 3.167 18.990 4.211 1.00 0.00 H new ATOM 0 HZ3 LYS p 6 2.743 18.645 2.604 1.00 0.00 H new ATOM 103 N GLU p 7 -4.145 15.616 4.435 1.00 0.00 N ATOM 104 CA GLU p 7 -4.731 14.356 4.888 1.00 0.00 C ATOM 105 C GLU p 7 -4.759 13.437 3.669 1.00 0.00 C ATOM 106 O GLU p 7 -4.774 12.209 3.761 1.00 0.00 O ATOM 107 CB GLU p 7 -6.139 14.623 5.431 1.00 0.00 C ATOM 108 CG GLU p 7 -7.141 13.499 5.233 1.00 0.00 C ATOM 109 CD GLU p 7 -7.629 12.904 6.539 1.00 0.00 C ATOM 110 OE1 GLU p 7 -6.984 11.959 7.038 1.00 0.00 O ATOM 111 OE2 GLU p 7 -8.657 13.383 7.062 1.00 0.00 O ATOM 0 H GLU p 7 -4.839 16.290 4.110 1.00 0.00 H new ATOM 0 HA GLU p 7 -4.159 13.893 5.692 1.00 0.00 H new ATOM 0 HB2 GLU p 7 -6.064 14.835 6.497 1.00 0.00 H new ATOM 0 HB3 GLU p 7 -6.529 15.522 4.954 1.00 0.00 H new ATOM 0 HG2 GLU p 7 -7.995 13.876 4.670 1.00 0.00 H new ATOM 0 HG3 GLU p 7 -6.684 12.714 4.631 1.00 0.00 H new ATOM 118 N LEU p 8 -4.762 14.131 2.535 1.00 0.00 N ATOM 119 CA LEU p 8 -4.743 13.588 1.209 1.00 0.00 C ATOM 120 C LEU p 8 -3.288 13.429 0.818 1.00 0.00 C ATOM 121 O LEU p 8 -2.930 12.487 0.136 1.00 0.00 O ATOM 122 CB LEU p 8 -5.491 14.551 0.263 1.00 0.00 C ATOM 123 CG LEU p 8 -5.051 14.563 -1.206 1.00 0.00 C ATOM 124 CD1 LEU p 8 -5.352 13.229 -1.846 1.00 0.00 C ATOM 125 CD2 LEU p 8 -5.725 15.699 -1.948 1.00 0.00 C ATOM 0 H LEU p 8 -4.779 15.151 2.534 1.00 0.00 H new ATOM 0 HA LEU p 8 -5.241 12.620 1.151 1.00 0.00 H new ATOM 0 HB2 LEU p 8 -6.552 14.304 0.297 1.00 0.00 H new ATOM 0 HB3 LEU p 8 -5.387 15.562 0.657 1.00 0.00 H new ATOM 0 HG LEU p 8 -3.975 14.727 -1.257 1.00 0.00 H new ATOM 0 HD11 LEU p 8 -5.036 13.246 -2.889 1.00 0.00 H new ATOM 0 HD12 LEU p 8 -4.814 12.442 -1.317 1.00 0.00 H new ATOM 0 HD13 LEU p 8 -6.423 13.034 -1.794 1.00 0.00 H new ATOM 0 HD21 LEU p 8 -5.403 15.695 -2.989 1.00 0.00 H new ATOM 0 HD22 LEU p 8 -6.807 15.573 -1.902 1.00 0.00 H new ATOM 0 HD23 LEU p 8 -5.451 16.648 -1.487 1.00 0.00 H new ATOM 137 N ALA p 9 -2.486 14.400 1.283 1.00 0.00 N ATOM 138 CA ALA p 9 -1.028 14.418 1.097 1.00 0.00 C ATOM 139 C ALA p 9 -0.422 13.491 2.128 1.00 0.00 C ATOM 140 O ALA p 9 0.735 13.090 2.028 1.00 0.00 O ATOM 141 CB ALA p 9 -0.435 15.815 1.218 1.00 0.00 C ATOM 0 H ALA p 9 -2.837 15.203 1.805 1.00 0.00 H new ATOM 0 HA ALA p 9 -0.798 14.084 0.085 1.00 0.00 H new ATOM 0 HB1 ALA p 9 0.644 15.766 1.072 1.00 0.00 H new ATOM 0 HB2 ALA p 9 -0.875 16.464 0.461 1.00 0.00 H new ATOM 0 HB3 ALA p 9 -0.649 16.217 2.209 1.00 0.00 H new ATOM 147 N GLN p 10 -1.256 13.192 3.139 1.00 0.00 N ATOM 148 CA GLN p 10 -0.947 12.245 4.183 1.00 0.00 C ATOM 149 C GLN p 10 -1.384 10.902 3.635 1.00 0.00 C ATOM 150 O GLN p 10 -0.840 9.873 3.984 1.00 0.00 O ATOM 151 CB GLN p 10 -1.697 12.608 5.467 1.00 0.00 C ATOM 152 CG GLN p 10 -2.095 11.437 6.349 1.00 0.00 C ATOM 153 CD GLN p 10 -1.350 11.411 7.671 1.00 0.00 C ATOM 154 OE1 GLN p 10 -0.282 10.808 7.781 1.00 0.00 O ATOM 155 NE2 GLN p 10 -1.911 12.066 8.681 1.00 0.00 N ATOM 0 H GLN p 10 -2.177 13.619 3.240 1.00 0.00 H new ATOM 0 HA GLN p 10 0.111 12.238 4.446 1.00 0.00 H new ATOM 0 HB2 GLN p 10 -1.073 13.284 6.052 1.00 0.00 H new ATOM 0 HB3 GLN p 10 -2.598 13.159 5.197 1.00 0.00 H new ATOM 0 HG2 GLN p 10 -3.167 11.483 6.543 1.00 0.00 H new ATOM 0 HG3 GLN p 10 -1.907 10.506 5.814 1.00 0.00 H new ATOM 0 HE21 GLN p 10 -2.797 12.552 8.544 1.00 0.00 H new ATOM 0 HE22 GLN p 10 -1.456 12.083 9.594 1.00 0.00 H new ATOM 164 N ASN p 11 -2.391 10.999 2.751 1.00 0.00 N ATOM 165 CA ASN p 11 -2.966 9.871 2.015 1.00 0.00 C ATOM 166 C ASN p 11 -2.076 9.615 0.812 1.00 0.00 C ATOM 167 O ASN p 11 -2.074 8.528 0.232 1.00 0.00 O ATOM 168 CB ASN p 11 -4.403 10.169 1.568 1.00 0.00 C ATOM 169 CG ASN p 11 -5.243 8.917 1.350 1.00 0.00 C ATOM 170 OD1 ASN p 11 -5.071 7.903 2.032 1.00 0.00 O ATOM 171 ND2 ASN p 11 -6.164 8.986 0.396 1.00 0.00 N ATOM 0 H ASN p 11 -2.836 11.889 2.526 1.00 0.00 H new ATOM 0 HA ASN p 11 -3.013 8.992 2.657 1.00 0.00 H new ATOM 0 HB2 ASN p 11 -4.886 10.795 2.318 1.00 0.00 H new ATOM 0 HB3 ASN p 11 -4.375 10.744 0.643 1.00 0.00 H new ATOM 0 HD21 ASN p 11 -6.761 8.182 0.205 1.00 0.00 H new ATOM 0 HD22 ASN p 11 -6.274 9.843 -0.145 1.00 0.00 H new ATOM 178 N GLU p 12 -1.326 10.674 0.460 1.00 0.00 N ATOM 179 CA GLU p 12 -0.324 10.634 -0.605 1.00 0.00 C ATOM 180 C GLU p 12 0.917 10.131 0.054 1.00 0.00 C ATOM 181 O GLU p 12 1.762 9.505 -0.554 1.00 0.00 O ATOM 182 CB GLU p 12 -0.037 12.002 -1.221 1.00 0.00 C ATOM 183 CG GLU p 12 -1.257 12.628 -1.836 1.00 0.00 C ATOM 184 CD GLU p 12 -1.059 13.033 -3.284 1.00 0.00 C ATOM 185 OE1 GLU p 12 -0.635 14.182 -3.527 1.00 0.00 O ATOM 186 OE2 GLU p 12 -1.328 12.201 -4.175 1.00 0.00 O ATOM 0 H GLU p 12 -1.403 11.585 0.913 1.00 0.00 H new ATOM 0 HA GLU p 12 -0.681 10.008 -1.423 1.00 0.00 H new ATOM 0 HB2 GLU p 12 0.359 12.666 -0.453 1.00 0.00 H new ATOM 0 HB3 GLU p 12 0.736 11.898 -1.982 1.00 0.00 H new ATOM 0 HG2 GLU p 12 -2.088 11.926 -1.773 1.00 0.00 H new ATOM 0 HG3 GLU p 12 -1.538 13.507 -1.255 1.00 0.00 H new ATOM 193 N TRP p 13 0.955 10.454 1.346 1.00 0.00 N ATOM 194 CA TRP p 13 2.015 10.031 2.269 1.00 0.00 C ATOM 195 C TRP p 13 1.698 8.627 2.765 1.00 0.00 C ATOM 196 O TRP p 13 2.565 7.952 3.303 1.00 0.00 O ATOM 197 CB TRP p 13 2.171 10.990 3.450 1.00 0.00 C ATOM 198 CG TRP p 13 3.568 11.034 4.003 1.00 0.00 C ATOM 199 CD1 TRP p 13 4.067 10.266 5.015 1.00 0.00 C ATOM 200 CD2 TRP p 13 4.643 11.885 3.575 1.00 0.00 C ATOM 201 NE1 TRP p 13 5.384 10.585 5.245 1.00 0.00 N ATOM 202 CE2 TRP p 13 5.760 11.576 4.375 1.00 0.00 C ATOM 203 CE3 TRP p 13 4.774 12.880 2.597 1.00 0.00 C ATOM 204 CZ2 TRP p 13 6.986 12.220 4.227 1.00 0.00 C ATOM 205 CZ3 TRP p 13 5.990 13.518 2.452 1.00 0.00 C ATOM 206 CH2 TRP p 13 7.083 13.185 3.264 1.00 0.00 C ATOM 0 H TRP p 13 0.239 11.027 1.792 1.00 0.00 H new ATOM 0 HA TRP p 13 2.963 10.039 1.732 1.00 0.00 H new ATOM 0 HB2 TRP p 13 1.881 11.992 3.135 1.00 0.00 H new ATOM 0 HB3 TRP p 13 1.484 10.694 4.242 1.00 0.00 H new ATOM 0 HD1 TRP p 13 3.508 9.517 5.556 1.00 0.00 H new ATOM 0 HE1 TRP p 13 5.984 10.155 5.949 1.00 0.00 H new ATOM 0 HE3 TRP p 13 3.937 13.144 1.967 1.00 0.00 H new ATOM 0 HZ2 TRP p 13 7.830 11.966 4.851 1.00 0.00 H new ATOM 0 HZ3 TRP p 13 6.101 14.286 1.701 1.00 0.00 H new ATOM 0 HH2 TRP p 13 8.021 13.702 3.126 1.00 0.00 H new ATOM 217 N GLU p 14 0.415 8.243 2.616 1.00 0.00 N ATOM 218 CA GLU p 14 -0.067 6.877 2.925 1.00 0.00 C ATOM 219 C GLU p 14 0.074 6.110 1.652 1.00 0.00 C ATOM 220 O GLU p 14 0.032 4.886 1.612 1.00 0.00 O ATOM 221 CB GLU p 14 -1.520 6.818 3.370 1.00 0.00 C ATOM 222 CG GLU p 14 -1.778 7.670 4.570 1.00 0.00 C ATOM 223 CD GLU p 14 -2.651 6.998 5.611 1.00 0.00 C ATOM 224 OE1 GLU p 14 -3.890 7.126 5.518 1.00 0.00 O ATOM 225 OE2 GLU p 14 -2.096 6.342 6.518 1.00 0.00 O ATOM 0 H GLU p 14 -0.317 8.868 2.279 1.00 0.00 H new ATOM 0 HA GLU p 14 0.513 6.477 3.757 1.00 0.00 H new ATOM 0 HB2 GLU p 14 -2.162 7.142 2.551 1.00 0.00 H new ATOM 0 HB3 GLU p 14 -1.788 5.786 3.595 1.00 0.00 H new ATOM 0 HG2 GLU p 14 -0.825 7.940 5.026 1.00 0.00 H new ATOM 0 HG3 GLU p 14 -2.254 8.598 4.252 1.00 0.00 H new ATOM 232 N LEU p 15 0.179 6.930 0.613 1.00 0.00 N ATOM 233 CA LEU p 15 0.421 6.500 -0.757 1.00 0.00 C ATOM 234 C LEU p 15 1.928 6.338 -0.908 1.00 0.00 C ATOM 235 O LEU p 15 2.399 5.458 -1.604 1.00 0.00 O ATOM 236 CB LEU p 15 -0.136 7.525 -1.772 1.00 0.00 C ATOM 237 CG LEU p 15 0.000 7.210 -3.282 1.00 0.00 C ATOM 238 CD1 LEU p 15 1.273 7.830 -3.832 1.00 0.00 C ATOM 239 CD2 LEU p 15 -0.015 5.715 -3.547 1.00 0.00 C ATOM 0 H LEU p 15 0.095 7.942 0.704 1.00 0.00 H new ATOM 0 HA LEU p 15 -0.090 5.559 -0.962 1.00 0.00 H new ATOM 0 HB2 LEU p 15 -1.195 7.666 -1.556 1.00 0.00 H new ATOM 0 HB3 LEU p 15 0.357 8.479 -1.586 1.00 0.00 H new ATOM 0 HG LEU p 15 -0.860 7.644 -3.792 1.00 0.00 H new ATOM 0 HD11 LEU p 15 1.359 7.602 -4.895 1.00 0.00 H new ATOM 0 HD12 LEU p 15 1.241 8.911 -3.694 1.00 0.00 H new ATOM 0 HD13 LEU p 15 2.134 7.422 -3.303 1.00 0.00 H new ATOM 0 HD21 LEU p 15 0.083 5.534 -4.617 1.00 0.00 H new ATOM 0 HD22 LEU p 15 0.816 5.244 -3.022 1.00 0.00 H new ATOM 0 HD23 LEU p 15 -0.955 5.292 -3.192 1.00 0.00 H new ATOM 251 N GLN p 16 2.639 7.219 -0.199 1.00 0.00 N ATOM 252 CA GLN p 16 4.115 7.242 -0.118 1.00 0.00 C ATOM 253 C GLN p 16 4.507 6.240 0.916 1.00 0.00 C ATOM 254 O GLN p 16 5.611 5.726 0.920 1.00 0.00 O ATOM 255 CB GLN p 16 4.659 8.603 0.309 1.00 0.00 C ATOM 256 CG GLN p 16 4.241 9.714 -0.607 1.00 0.00 C ATOM 257 CD GLN p 16 5.406 10.514 -1.155 1.00 0.00 C ATOM 258 OE1 GLN p 16 5.829 11.507 -0.561 1.00 0.00 O ATOM 259 NE2 GLN p 16 5.934 10.085 -2.296 1.00 0.00 N ATOM 0 H GLN p 16 2.200 7.957 0.351 1.00 0.00 H new ATOM 0 HA GLN p 16 4.523 7.022 -1.105 1.00 0.00 H new ATOM 0 HB2 GLN p 16 4.316 8.824 1.320 1.00 0.00 H new ATOM 0 HB3 GLN p 16 5.748 8.558 0.344 1.00 0.00 H new ATOM 0 HG2 GLN p 16 3.674 9.295 -1.439 1.00 0.00 H new ATOM 0 HG3 GLN p 16 3.570 10.385 -0.070 1.00 0.00 H new ATOM 0 HE21 GLN p 16 5.553 9.258 -2.755 1.00 0.00 H new ATOM 0 HE22 GLN p 16 6.721 10.583 -2.713 1.00 0.00 H new ATOM 268 N ALA p 17 3.553 6.056 1.824 1.00 0.00 N ATOM 269 CA ALA p 17 3.631 5.057 2.900 1.00 0.00 C ATOM 270 C ALA p 17 3.154 3.741 2.328 1.00 0.00 C ATOM 271 O ALA p 17 3.393 2.677 2.890 1.00 0.00 O ATOM 272 CB ALA p 17 2.811 5.425 4.128 1.00 0.00 C ATOM 0 H ALA p 17 2.691 6.600 1.839 1.00 0.00 H new ATOM 0 HA ALA p 17 4.663 4.999 3.245 1.00 0.00 H new ATOM 0 HB1 ALA p 17 2.914 4.644 4.882 1.00 0.00 H new ATOM 0 HB2 ALA p 17 3.169 6.371 4.534 1.00 0.00 H new ATOM 0 HB3 ALA p 17 1.762 5.523 3.849 1.00 0.00 H new ATOM 278 N LEU p 18 2.448 3.871 1.190 1.00 0.00 N ATOM 279 CA LEU p 18 1.953 2.756 0.407 1.00 0.00 C ATOM 280 C LEU p 18 3.063 2.357 -0.532 1.00 0.00 C ATOM 281 O LEU p 18 3.223 1.197 -0.843 1.00 0.00 O ATOM 282 CB LEU p 18 0.739 3.181 -0.396 1.00 0.00 C ATOM 283 CG LEU p 18 -0.141 2.086 -0.979 1.00 0.00 C ATOM 284 CD1 LEU p 18 -1.439 2.722 -1.364 1.00 0.00 C ATOM 285 CD2 LEU p 18 0.503 1.443 -2.199 1.00 0.00 C ATOM 0 H LEU p 18 2.208 4.779 0.792 1.00 0.00 H new ATOM 0 HA LEU p 18 1.661 1.928 1.053 1.00 0.00 H new ATOM 0 HB2 LEU p 18 0.116 3.807 0.243 1.00 0.00 H new ATOM 0 HB3 LEU p 18 1.083 3.808 -1.218 1.00 0.00 H new ATOM 0 HG LEU p 18 -0.287 1.297 -0.241 1.00 0.00 H new ATOM 0 HD11 LEU p 18 -2.102 1.968 -1.788 1.00 0.00 H new ATOM 0 HD12 LEU p 18 -1.905 3.160 -0.482 1.00 0.00 H new ATOM 0 HD13 LEU p 18 -1.257 3.502 -2.103 1.00 0.00 H new ATOM 0 HD21 LEU p 18 -0.153 0.665 -2.589 1.00 0.00 H new ATOM 0 HD22 LEU p 18 0.665 2.200 -2.966 1.00 0.00 H new ATOM 0 HD23 LEU p 18 1.459 1.003 -1.916 1.00 0.00 H new ATOM 297 N GLU p 19 3.746 3.395 -1.029 1.00 0.00 N ATOM 298 CA GLU p 19 4.946 3.252 -1.898 1.00 0.00 C ATOM 299 C GLU p 19 6.111 2.916 -1.007 1.00 0.00 C ATOM 300 O GLU p 19 7.125 2.395 -1.425 1.00 0.00 O ATOM 301 CB GLU p 19 5.293 4.524 -2.674 1.00 0.00 C ATOM 302 CG GLU p 19 4.120 5.113 -3.407 1.00 0.00 C ATOM 303 CD GLU p 19 4.406 5.396 -4.869 1.00 0.00 C ATOM 304 OE1 GLU p 19 4.177 4.497 -5.704 1.00 0.00 O ATOM 305 OE2 GLU p 19 4.857 6.519 -5.178 1.00 0.00 O ATOM 0 H GLU p 19 3.491 4.365 -0.846 1.00 0.00 H new ATOM 0 HA GLU p 19 4.732 2.477 -2.634 1.00 0.00 H new ATOM 0 HB2 GLU p 19 5.690 5.267 -1.982 1.00 0.00 H new ATOM 0 HB3 GLU p 19 6.084 4.300 -3.389 1.00 0.00 H new ATOM 0 HG2 GLU p 19 3.275 4.428 -3.335 1.00 0.00 H new ATOM 0 HG3 GLU p 19 3.822 6.040 -2.916 1.00 0.00 H new ATOM 312 N LYS p 20 5.943 3.323 0.228 1.00 0.00 N ATOM 313 CA LYS p 20 6.897 3.028 1.304 1.00 0.00 C ATOM 314 C LYS p 20 6.575 1.640 1.850 1.00 0.00 C ATOM 315 O LYS p 20 7.318 1.050 2.628 1.00 0.00 O ATOM 316 CB LYS p 20 6.811 4.055 2.422 1.00 0.00 C ATOM 317 CG LYS p 20 8.101 4.815 2.685 1.00 0.00 C ATOM 318 CD LYS p 20 8.588 4.613 4.111 1.00 0.00 C ATOM 319 CE LYS p 20 9.843 5.424 4.392 1.00 0.00 C ATOM 320 NZ LYS p 20 10.330 5.233 5.787 1.00 0.00 N ATOM 0 H LYS p 20 5.139 3.873 0.531 1.00 0.00 H new ATOM 0 HA LYS p 20 7.911 3.065 0.906 1.00 0.00 H new ATOM 0 HB2 LYS p 20 6.026 4.771 2.180 1.00 0.00 H new ATOM 0 HB3 LYS p 20 6.509 3.549 3.339 1.00 0.00 H new ATOM 0 HG2 LYS p 20 8.869 4.482 1.987 1.00 0.00 H new ATOM 0 HG3 LYS p 20 7.942 5.878 2.501 1.00 0.00 H new ATOM 0 HD2 LYS p 20 7.803 4.903 4.809 1.00 0.00 H new ATOM 0 HD3 LYS p 20 8.791 3.556 4.281 1.00 0.00 H new ATOM 0 HE2 LYS p 20 10.626 5.134 3.692 1.00 0.00 H new ATOM 0 HE3 LYS p 20 9.638 6.481 4.221 1.00 0.00 H new ATOM 0 HZ1 LYS p 20 11.187 5.803 5.937 1.00 0.00 H new ATOM 0 HZ2 LYS p 20 9.593 5.533 6.456 1.00 0.00 H new ATOM 0 HZ3 LYS p 20 10.551 4.229 5.943 1.00 0.00 H new ATOM 334 N GLU p 21 5.383 1.201 1.492 1.00 0.00 N ATOM 335 CA GLU p 21 4.883 -0.120 1.808 1.00 0.00 C ATOM 336 C GLU p 21 5.079 -0.989 0.576 1.00 0.00 C ATOM 337 O GLU p 21 5.221 -2.207 0.658 1.00 0.00 O ATOM 338 CB GLU p 21 3.410 -0.025 2.218 1.00 0.00 C ATOM 339 CG GLU p 21 2.555 -1.235 1.885 1.00 0.00 C ATOM 340 CD GLU p 21 2.024 -1.943 3.117 1.00 0.00 C ATOM 341 OE1 GLU p 21 2.712 -2.856 3.620 1.00 0.00 O ATOM 342 OE2 GLU p 21 0.920 -1.583 3.578 1.00 0.00 O ATOM 0 H GLU p 21 4.722 1.768 0.961 1.00 0.00 H new ATOM 0 HA GLU p 21 5.420 -0.564 2.646 1.00 0.00 H new ATOM 0 HB2 GLU p 21 3.361 0.146 3.293 1.00 0.00 H new ATOM 0 HB3 GLU p 21 2.973 0.849 1.736 1.00 0.00 H new ATOM 0 HG2 GLU p 21 1.716 -0.920 1.264 1.00 0.00 H new ATOM 0 HG3 GLU p 21 3.143 -1.937 1.294 1.00 0.00 H new ATOM 349 N LEU p 22 5.028 -0.310 -0.567 1.00 0.00 N ATOM 350 CA LEU p 22 5.186 -0.925 -1.865 1.00 0.00 C ATOM 351 C LEU p 22 6.629 -0.949 -2.314 1.00 0.00 C ATOM 352 O LEU p 22 7.112 -1.963 -2.784 1.00 0.00 O ATOM 353 CB LEU p 22 4.385 -0.129 -2.890 1.00 0.00 C ATOM 354 CG LEU p 22 3.603 -0.905 -3.938 1.00 0.00 C ATOM 355 CD1 LEU p 22 2.890 0.098 -4.813 1.00 0.00 C ATOM 356 CD2 LEU p 22 4.522 -1.781 -4.770 1.00 0.00 C ATOM 0 H LEU p 22 4.873 0.697 -0.609 1.00 0.00 H new ATOM 0 HA LEU p 22 4.833 -1.953 -1.787 1.00 0.00 H new ATOM 0 HB2 LEU p 22 3.682 0.503 -2.348 1.00 0.00 H new ATOM 0 HB3 LEU p 22 5.074 0.535 -3.411 1.00 0.00 H new ATOM 0 HG LEU p 22 2.886 -1.567 -3.452 1.00 0.00 H new ATOM 0 HD11 LEU p 22 2.318 -0.428 -5.578 1.00 0.00 H new ATOM 0 HD12 LEU p 22 2.215 0.698 -4.203 1.00 0.00 H new ATOM 0 HD13 LEU p 22 3.622 0.749 -5.291 1.00 0.00 H new ATOM 0 HD21 LEU p 22 3.935 -2.324 -5.511 1.00 0.00 H new ATOM 0 HD22 LEU p 22 5.259 -1.157 -5.277 1.00 0.00 H new ATOM 0 HD23 LEU p 22 5.033 -2.492 -4.121 1.00 0.00 H new ATOM 368 N ALA p 23 7.294 0.182 -2.187 1.00 0.00 N ATOM 369 CA ALA p 23 8.692 0.294 -2.654 1.00 0.00 C ATOM 370 C ALA p 23 9.749 0.008 -1.588 1.00 0.00 C ATOM 371 O ALA p 23 10.920 -0.139 -1.931 1.00 0.00 O ATOM 372 CB ALA p 23 8.946 1.642 -3.318 1.00 0.00 C ATOM 0 H ALA p 23 6.911 1.032 -1.774 1.00 0.00 H new ATOM 0 HA ALA p 23 8.804 -0.500 -3.392 1.00 0.00 H new ATOM 0 HB1 ALA p 23 9.983 1.694 -3.651 1.00 0.00 H new ATOM 0 HB2 ALA p 23 8.283 1.756 -4.176 1.00 0.00 H new ATOM 0 HB3 ALA p 23 8.754 2.442 -2.603 1.00 0.00 H new ATOM 378 N GLN p 24 9.358 -0.068 -0.312 1.00 0.00 N ATOM 379 CA GLN p 24 10.307 -0.331 0.770 1.00 0.00 C ATOM 380 C GLN p 24 10.357 -1.791 1.085 1.00 0.00 C ATOM 381 O GLN p 24 11.395 -2.333 1.338 1.00 0.00 O ATOM 382 CB GLN p 24 9.889 0.379 2.019 1.00 0.00 C ATOM 383 CG GLN p 24 9.981 1.862 1.915 1.00 0.00 C ATOM 384 CD GLN p 24 11.230 2.433 2.557 1.00 0.00 C ATOM 385 OE1 GLN p 24 11.237 2.760 3.743 1.00 0.00 O ATOM 386 NE2 GLN p 24 12.296 2.554 1.774 1.00 0.00 N ATOM 0 H GLN p 24 8.392 0.049 -0.005 1.00 0.00 H new ATOM 0 HA GLN p 24 11.283 0.021 0.436 1.00 0.00 H new ATOM 0 HB2 GLN p 24 8.863 0.102 2.259 1.00 0.00 H new ATOM 0 HB3 GLN p 24 10.513 0.041 2.847 1.00 0.00 H new ATOM 0 HG2 GLN p 24 9.959 2.147 0.863 1.00 0.00 H new ATOM 0 HG3 GLN p 24 9.104 2.307 2.385 1.00 0.00 H new ATOM 0 HE21 GLN p 24 12.245 2.270 0.796 1.00 0.00 H new ATOM 0 HE22 GLN p 24 13.166 2.931 2.151 1.00 0.00 H new ATOM 395 N LEU p 25 9.172 -2.354 1.111 1.00 0.00 N ATOM 396 CA LEU p 25 8.892 -3.780 1.380 1.00 0.00 C ATOM 397 C LEU p 25 9.539 -4.666 0.331 1.00 0.00 C ATOM 398 O LEU p 25 9.966 -5.782 0.598 1.00 0.00 O ATOM 399 CB LEU p 25 7.374 -3.972 1.350 1.00 0.00 C ATOM 400 CG LEU p 25 6.793 -5.306 1.870 1.00 0.00 C ATOM 401 CD1 LEU p 25 6.570 -6.235 0.694 1.00 0.00 C ATOM 402 CD2 LEU p 25 7.699 -5.967 2.904 1.00 0.00 C ATOM 0 H LEU p 25 8.321 -1.819 0.939 1.00 0.00 H new ATOM 0 HA LEU p 25 9.301 -4.058 2.351 1.00 0.00 H new ATOM 0 HB2 LEU p 25 6.926 -3.166 1.930 1.00 0.00 H new ATOM 0 HB3 LEU p 25 7.043 -3.845 0.319 1.00 0.00 H new ATOM 0 HG LEU p 25 5.847 -5.096 2.370 1.00 0.00 H new ATOM 0 HD11 LEU p 25 6.160 -7.180 1.050 1.00 0.00 H new ATOM 0 HD12 LEU p 25 5.871 -5.776 -0.005 1.00 0.00 H new ATOM 0 HD13 LEU p 25 7.519 -6.418 0.190 1.00 0.00 H new ATOM 0 HD21 LEU p 25 7.248 -6.901 3.239 1.00 0.00 H new ATOM 0 HD22 LEU p 25 8.671 -6.174 2.457 1.00 0.00 H new ATOM 0 HD23 LEU p 25 7.826 -5.299 3.756 1.00 0.00 H new ATOM 414 N GLU p 26 9.527 -4.112 -0.857 1.00 0.00 N ATOM 415 CA GLU p 26 10.101 -4.663 -2.074 1.00 0.00 C ATOM 416 C GLU p 26 11.570 -4.384 -2.055 1.00 0.00 C ATOM 417 O GLU p 26 12.367 -5.058 -2.693 1.00 0.00 O ATOM 418 CB GLU p 26 9.465 -3.986 -3.265 1.00 0.00 C ATOM 419 CG GLU p 26 7.989 -4.229 -3.309 1.00 0.00 C ATOM 420 CD GLU p 26 7.512 -4.823 -4.620 1.00 0.00 C ATOM 421 OE1 GLU p 26 7.179 -4.045 -5.537 1.00 0.00 O ATOM 422 OE2 GLU p 26 7.473 -6.067 -4.729 1.00 0.00 O ATOM 0 H GLU p 26 9.089 -3.205 -1.016 1.00 0.00 H new ATOM 0 HA GLU p 26 9.925 -5.737 -2.139 1.00 0.00 H new ATOM 0 HB2 GLU p 26 9.657 -2.914 -3.221 1.00 0.00 H new ATOM 0 HB3 GLU p 26 9.923 -4.355 -4.183 1.00 0.00 H new ATOM 0 HG2 GLU p 26 7.715 -4.900 -2.495 1.00 0.00 H new ATOM 0 HG3 GLU p 26 7.469 -3.287 -3.135 1.00 0.00 H new ATOM 429 N LYS p 27 11.862 -3.310 -1.337 1.00 0.00 N ATOM 430 CA LYS p 27 13.234 -2.865 -1.070 1.00 0.00 C ATOM 431 C LYS p 27 13.776 -3.651 0.110 1.00 0.00 C ATOM 432 O LYS p 27 14.974 -3.927 0.191 1.00 0.00 O ATOM 433 CB LYS p 27 13.299 -1.366 -0.797 1.00 0.00 C ATOM 434 CG LYS p 27 13.913 -0.553 -1.929 1.00 0.00 C ATOM 435 CD LYS p 27 15.409 -0.349 -1.734 1.00 0.00 C ATOM 436 CE LYS p 27 16.010 0.481 -2.856 1.00 0.00 C ATOM 437 NZ LYS p 27 17.472 0.691 -2.670 1.00 0.00 N ATOM 0 H LYS p 27 11.151 -2.712 -0.916 1.00 0.00 H new ATOM 0 HA LYS p 27 13.845 -3.050 -1.954 1.00 0.00 H new ATOM 0 HB2 LYS p 27 12.291 -0.999 -0.606 1.00 0.00 H new ATOM 0 HB3 LYS p 27 13.877 -1.198 0.112 1.00 0.00 H new ATOM 0 HG2 LYS p 27 13.736 -1.060 -2.878 1.00 0.00 H new ATOM 0 HG3 LYS p 27 13.419 0.417 -1.989 1.00 0.00 H new ATOM 0 HD2 LYS p 27 15.588 0.145 -0.779 1.00 0.00 H new ATOM 0 HD3 LYS p 27 15.907 -1.318 -1.690 1.00 0.00 H new ATOM 0 HE2 LYS p 27 15.833 -0.016 -3.810 1.00 0.00 H new ATOM 0 HE3 LYS p 27 15.507 1.447 -2.902 1.00 0.00 H new ATOM 0 HZ1 LYS p 27 17.844 1.262 -3.456 1.00 0.00 H new ATOM 0 HZ2 LYS p 27 17.640 1.188 -1.772 1.00 0.00 H new ATOM 0 HZ3 LYS p 27 17.955 -0.230 -2.652 1.00 0.00 H new ATOM 451 N GLU p 28 12.859 -4.000 1.030 1.00 0.00 N ATOM 452 CA GLU p 28 13.188 -4.849 2.188 1.00 0.00 C ATOM 453 C GLU p 28 13.298 -6.241 1.650 1.00 0.00 C ATOM 454 O GLU p 28 14.082 -7.070 2.117 1.00 0.00 O ATOM 455 CB GLU p 28 12.114 -4.820 3.281 1.00 0.00 C ATOM 456 CG GLU p 28 11.793 -3.433 3.774 1.00 0.00 C ATOM 457 CD GLU p 28 12.064 -3.249 5.255 1.00 0.00 C ATOM 458 OE1 GLU p 28 13.213 -2.915 5.610 1.00 0.00 O ATOM 459 OE2 GLU p 28 11.127 -3.441 6.058 1.00 0.00 O ATOM 0 H GLU p 28 11.883 -3.706 0.993 1.00 0.00 H new ATOM 0 HA GLU p 28 14.105 -4.488 2.654 1.00 0.00 H new ATOM 0 HB2 GLU p 28 11.204 -5.280 2.896 1.00 0.00 H new ATOM 0 HB3 GLU p 28 12.447 -5.428 4.122 1.00 0.00 H new ATOM 0 HG2 GLU p 28 12.381 -2.709 3.211 1.00 0.00 H new ATOM 0 HG3 GLU p 28 10.744 -3.217 3.573 1.00 0.00 H new ATOM 466 N LEU p 29 12.464 -6.457 0.631 1.00 0.00 N ATOM 467 CA LEU p 29 12.436 -7.697 -0.117 1.00 0.00 C ATOM 468 C LEU p 29 13.684 -7.786 -0.985 1.00 0.00 C ATOM 469 O LEU p 29 14.354 -8.821 -1.033 1.00 0.00 O ATOM 470 CB LEU p 29 11.197 -7.724 -1.005 1.00 0.00 C ATOM 471 CG LEU p 29 10.569 -9.080 -1.311 1.00 0.00 C ATOM 472 CD1 LEU p 29 9.395 -8.852 -2.231 1.00 0.00 C ATOM 473 CD2 LEU p 29 11.566 -10.027 -1.957 1.00 0.00 C ATOM 0 H LEU p 29 11.788 -5.766 0.306 1.00 0.00 H new ATOM 0 HA LEU p 29 12.408 -8.541 0.572 1.00 0.00 H new ATOM 0 HB2 LEU p 29 10.436 -7.101 -0.536 1.00 0.00 H new ATOM 0 HB3 LEU p 29 11.455 -7.253 -1.954 1.00 0.00 H new ATOM 0 HG LEU p 29 10.245 -9.545 -0.380 1.00 0.00 H new ATOM 0 HD11 LEU p 29 8.926 -9.808 -2.466 1.00 0.00 H new ATOM 0 HD12 LEU p 29 8.669 -8.203 -1.741 1.00 0.00 H new ATOM 0 HD13 LEU p 29 9.740 -8.381 -3.151 1.00 0.00 H new ATOM 0 HD21 LEU p 29 11.082 -10.982 -2.160 1.00 0.00 H new ATOM 0 HD22 LEU p 29 11.924 -9.596 -2.892 1.00 0.00 H new ATOM 0 HD23 LEU p 29 12.409 -10.183 -1.283 1.00 0.00 H new ATOM 791 N GLN p 51 3.241 -15.472 -4.064 1.00 0.00 N ATOM 792 CA GLN p 51 1.845 -15.432 -4.526 1.00 0.00 C ATOM 793 C GLN p 51 0.902 -14.724 -3.541 1.00 0.00 C ATOM 794 O GLN p 51 -0.263 -14.488 -3.868 1.00 0.00 O ATOM 795 CB GLN p 51 1.352 -16.864 -4.790 1.00 0.00 C ATOM 796 CG GLN p 51 0.366 -16.986 -5.950 1.00 0.00 C ATOM 797 CD GLN p 51 1.042 -16.975 -7.310 1.00 0.00 C ATOM 798 OE1 GLN p 51 1.239 -15.919 -7.911 1.00 0.00 O ATOM 799 NE2 GLN p 51 1.400 -18.156 -7.803 1.00 0.00 N ATOM 0 HA GLN p 51 1.828 -14.847 -5.446 1.00 0.00 H new ATOM 0 HB2 GLN p 51 2.213 -17.501 -4.992 1.00 0.00 H new ATOM 0 HB3 GLN p 51 0.879 -17.245 -3.885 1.00 0.00 H new ATOM 0 HG2 GLN p 51 -0.202 -17.910 -5.841 1.00 0.00 H new ATOM 0 HG3 GLN p 51 -0.349 -16.165 -5.899 1.00 0.00 H new ATOM 0 HE21 GLN p 51 1.218 -19.007 -7.271 1.00 0.00 H new ATOM 0 HE22 GLN p 51 1.857 -18.211 -8.713 1.00 0.00 H new ATOM 808 N ALA p 52 1.395 -14.407 -2.345 1.00 0.00 N ATOM 809 CA ALA p 52 0.580 -13.746 -1.321 1.00 0.00 C ATOM 810 C ALA p 52 0.972 -12.273 -1.109 1.00 0.00 C ATOM 811 O ALA p 52 0.303 -11.552 -0.371 1.00 0.00 O ATOM 812 CB ALA p 52 0.685 -14.528 -0.021 1.00 0.00 C ATOM 0 H ALA p 52 2.356 -14.596 -2.059 1.00 0.00 H new ATOM 0 HA ALA p 52 -0.454 -13.737 -1.667 1.00 0.00 H new ATOM 0 HB1 ALA p 52 0.081 -14.042 0.746 1.00 0.00 H new ATOM 0 HB2 ALA p 52 0.324 -15.544 -0.178 1.00 0.00 H new ATOM 0 HB3 ALA p 52 1.726 -14.559 0.302 1.00 0.00 H new ATOM 818 N LEU p 53 2.068 -11.852 -1.745 1.00 0.00 N ATOM 819 CA LEU p 53 2.592 -10.504 -1.653 1.00 0.00 C ATOM 820 C LEU p 53 2.098 -9.669 -2.829 1.00 0.00 C ATOM 821 O LEU p 53 1.277 -8.770 -2.672 1.00 0.00 O ATOM 822 CB LEU p 53 4.120 -10.588 -1.624 1.00 0.00 C ATOM 823 CG LEU p 53 4.861 -9.386 -1.059 1.00 0.00 C ATOM 824 CD1 LEU p 53 6.173 -9.862 -0.487 1.00 0.00 C ATOM 825 CD2 LEU p 53 5.093 -8.349 -2.145 1.00 0.00 C ATOM 0 H LEU p 53 2.622 -12.459 -2.349 1.00 0.00 H new ATOM 0 HA LEU p 53 2.243 -10.016 -0.743 1.00 0.00 H new ATOM 0 HB2 LEU p 53 4.401 -11.465 -1.042 1.00 0.00 H new ATOM 0 HB3 LEU p 53 4.471 -10.756 -2.642 1.00 0.00 H new ATOM 0 HG LEU p 53 4.267 -8.916 -0.275 1.00 0.00 H new ATOM 0 HD11 LEU p 53 6.720 -9.013 -0.076 1.00 0.00 H new ATOM 0 HD12 LEU p 53 5.983 -10.588 0.303 1.00 0.00 H new ATOM 0 HD13 LEU p 53 6.765 -10.329 -1.274 1.00 0.00 H new ATOM 0 HD21 LEU p 53 5.624 -7.495 -1.725 1.00 0.00 H new ATOM 0 HD22 LEU p 53 5.688 -8.788 -2.946 1.00 0.00 H new ATOM 0 HD23 LEU p 53 4.134 -8.019 -2.544 1.00 0.00 H new ATOM 837 N LYS p 54 2.602 -10.026 -4.016 1.00 0.00 N ATOM 838 CA LYS p 54 2.260 -9.363 -5.293 1.00 0.00 C ATOM 839 C LYS p 54 0.759 -9.452 -5.604 1.00 0.00 C ATOM 840 O LYS p 54 0.256 -8.752 -6.482 1.00 0.00 O ATOM 841 CB LYS p 54 3.060 -9.983 -6.445 1.00 0.00 C ATOM 842 CG LYS p 54 4.536 -9.614 -6.440 1.00 0.00 C ATOM 843 CD LYS p 54 5.277 -10.273 -7.592 1.00 0.00 C ATOM 844 CE LYS p 54 6.755 -9.917 -7.582 1.00 0.00 C ATOM 845 NZ LYS p 54 7.488 -10.557 -8.710 1.00 0.00 N ATOM 0 H LYS p 54 3.267 -10.792 -4.125 1.00 0.00 H new ATOM 0 HA LYS p 54 2.520 -8.310 -5.189 1.00 0.00 H new ATOM 0 HB2 LYS p 54 2.967 -11.068 -6.396 1.00 0.00 H new ATOM 0 HB3 LYS p 54 2.620 -9.667 -7.391 1.00 0.00 H new ATOM 0 HG2 LYS p 54 4.642 -8.531 -6.509 1.00 0.00 H new ATOM 0 HG3 LYS p 54 4.985 -9.919 -5.495 1.00 0.00 H new ATOM 0 HD2 LYS p 54 5.162 -11.355 -7.528 1.00 0.00 H new ATOM 0 HD3 LYS p 54 4.833 -9.961 -8.537 1.00 0.00 H new ATOM 0 HE2 LYS p 54 6.868 -8.835 -7.643 1.00 0.00 H new ATOM 0 HE3 LYS p 54 7.198 -10.231 -6.637 1.00 0.00 H new ATOM 0 HZ1 LYS p 54 8.492 -10.290 -8.668 1.00 0.00 H new ATOM 0 HZ2 LYS p 54 7.402 -11.591 -8.638 1.00 0.00 H new ATOM 0 HZ3 LYS p 54 7.083 -10.238 -9.613 1.00 0.00 H new ATOM 859 N LYS p 55 0.079 -10.330 -4.866 1.00 0.00 N ATOM 860 CA LYS p 55 -1.343 -10.563 -4.973 1.00 0.00 C ATOM 861 C LYS p 55 -2.067 -9.737 -3.933 1.00 0.00 C ATOM 862 O LYS p 55 -3.137 -9.193 -4.202 1.00 0.00 O ATOM 863 CB LYS p 55 -1.653 -12.044 -4.796 1.00 0.00 C ATOM 864 CG LYS p 55 -1.659 -12.829 -6.099 1.00 0.00 C ATOM 865 CD LYS p 55 -2.444 -14.127 -5.966 1.00 0.00 C ATOM 866 CE LYS p 55 -2.419 -14.936 -7.256 1.00 0.00 C ATOM 867 NZ LYS p 55 -3.298 -14.346 -8.306 1.00 0.00 N ATOM 0 H LYS p 55 0.526 -10.912 -4.158 1.00 0.00 H new ATOM 0 HA LYS p 55 -1.684 -10.264 -5.964 1.00 0.00 H new ATOM 0 HB2 LYS p 55 -0.917 -12.482 -4.122 1.00 0.00 H new ATOM 0 HB3 LYS p 55 -2.626 -12.147 -4.316 1.00 0.00 H new ATOM 0 HG2 LYS p 55 -2.094 -12.219 -6.890 1.00 0.00 H new ATOM 0 HG3 LYS p 55 -0.634 -13.051 -6.396 1.00 0.00 H new ATOM 0 HD2 LYS p 55 -2.026 -14.723 -5.155 1.00 0.00 H new ATOM 0 HD3 LYS p 55 -3.476 -13.902 -5.698 1.00 0.00 H new ATOM 0 HE2 LYS p 55 -1.396 -14.991 -7.629 1.00 0.00 H new ATOM 0 HE3 LYS p 55 -2.738 -15.957 -7.049 1.00 0.00 H new ATOM 0 HZ1 LYS p 55 -3.250 -14.929 -9.166 1.00 0.00 H new ATOM 0 HZ2 LYS p 55 -4.279 -14.317 -7.961 1.00 0.00 H new ATOM 0 HZ3 LYS p 55 -2.979 -13.380 -8.524 1.00 0.00 H new ATOM 881 N LYS p 56 -1.462 -9.656 -2.733 1.00 0.00 N ATOM 882 CA LYS p 56 -2.019 -8.831 -1.633 1.00 0.00 C ATOM 883 C LYS p 56 -1.740 -7.348 -1.905 1.00 0.00 C ATOM 884 O LYS p 56 -2.292 -6.453 -1.264 1.00 0.00 O ATOM 885 CB LYS p 56 -1.434 -9.225 -0.282 1.00 0.00 C ATOM 886 CG LYS p 56 -2.296 -10.214 0.491 1.00 0.00 C ATOM 887 CD LYS p 56 -1.994 -10.178 1.981 1.00 0.00 C ATOM 888 CE LYS p 56 -2.986 -11.020 2.768 1.00 0.00 C ATOM 889 NZ LYS p 56 -2.806 -10.863 4.237 1.00 0.00 N ATOM 0 H LYS p 56 -0.598 -10.144 -2.497 1.00 0.00 H new ATOM 0 HA LYS p 56 -3.094 -9.005 -1.596 1.00 0.00 H new ATOM 0 HB2 LYS p 56 -0.446 -9.660 -0.436 1.00 0.00 H new ATOM 0 HB3 LYS p 56 -1.297 -8.327 0.321 1.00 0.00 H new ATOM 0 HG2 LYS p 56 -3.349 -9.985 0.327 1.00 0.00 H new ATOM 0 HG3 LYS p 56 -2.126 -11.221 0.109 1.00 0.00 H new ATOM 0 HD2 LYS p 56 -0.983 -10.544 2.158 1.00 0.00 H new ATOM 0 HD3 LYS p 56 -2.027 -9.148 2.336 1.00 0.00 H new ATOM 0 HE2 LYS p 56 -4.002 -10.734 2.494 1.00 0.00 H new ATOM 0 HE3 LYS p 56 -2.866 -12.069 2.498 1.00 0.00 H new ATOM 0 HZ1 LYS p 56 -3.501 -11.453 4.737 1.00 0.00 H new ATOM 0 HZ2 LYS p 56 -1.845 -11.160 4.503 1.00 0.00 H new ATOM 0 HZ3 LYS p 56 -2.946 -9.866 4.499 1.00 0.00 H new ATOM 903 N LEU p 57 -0.857 -7.153 -2.881 1.00 0.00 N ATOM 904 CA LEU p 57 -0.420 -5.868 -3.392 1.00 0.00 C ATOM 905 C LEU p 57 -1.301 -5.543 -4.560 1.00 0.00 C ATOM 906 O LEU p 57 -1.759 -4.418 -4.731 1.00 0.00 O ATOM 907 CB LEU p 57 1.025 -5.963 -3.863 1.00 0.00 C ATOM 908 CG LEU p 57 2.105 -5.409 -2.939 1.00 0.00 C ATOM 909 CD1 LEU p 57 2.148 -6.162 -1.615 1.00 0.00 C ATOM 910 CD2 LEU p 57 3.428 -5.513 -3.659 1.00 0.00 C ATOM 0 H LEU p 57 -0.406 -7.933 -3.359 1.00 0.00 H new ATOM 0 HA LEU p 57 -0.483 -5.101 -2.620 1.00 0.00 H new ATOM 0 HB2 LEU p 57 1.249 -7.013 -4.051 1.00 0.00 H new ATOM 0 HB3 LEU p 57 1.102 -5.445 -4.819 1.00 0.00 H new ATOM 0 HG LEU p 57 1.884 -4.369 -2.699 1.00 0.00 H new ATOM 0 HD11 LEU p 57 2.929 -5.741 -0.982 1.00 0.00 H new ATOM 0 HD12 LEU p 57 1.185 -6.070 -1.113 1.00 0.00 H new ATOM 0 HD13 LEU p 57 2.361 -7.215 -1.802 1.00 0.00 H new ATOM 0 HD21 LEU p 57 4.221 -5.123 -3.021 1.00 0.00 H new ATOM 0 HD22 LEU p 57 3.633 -6.557 -3.895 1.00 0.00 H new ATOM 0 HD23 LEU p 57 3.387 -4.934 -4.581 1.00 0.00 H new ATOM 922 N ALA p 58 -1.500 -6.586 -5.381 1.00 0.00 N ATOM 923 CA ALA p 58 -2.403 -6.510 -6.550 1.00 0.00 C ATOM 924 C ALA p 58 -3.849 -6.325 -6.078 1.00 0.00 C ATOM 925 O ALA p 58 -4.723 -5.895 -6.838 1.00 0.00 O ATOM 926 CB ALA p 58 -2.292 -7.747 -7.425 1.00 0.00 C ATOM 0 H ALA p 58 -1.050 -7.493 -5.261 1.00 0.00 H new ATOM 0 HA ALA p 58 -2.103 -5.652 -7.152 1.00 0.00 H new ATOM 0 HB1 ALA p 58 -2.970 -7.655 -8.273 1.00 0.00 H new ATOM 0 HB2 ALA p 58 -1.269 -7.846 -7.787 1.00 0.00 H new ATOM 0 HB3 ALA p 58 -2.557 -8.629 -6.843 1.00 0.00 H new ATOM 932 N GLN p 59 -4.062 -6.669 -4.803 1.00 0.00 N ATOM 933 CA GLN p 59 -5.322 -6.539 -4.120 1.00 0.00 C ATOM 934 C GLN p 59 -5.343 -5.192 -3.400 1.00 0.00 C ATOM 935 O GLN p 59 -6.399 -4.627 -3.151 1.00 0.00 O ATOM 936 CB GLN p 59 -5.441 -7.704 -3.135 1.00 0.00 C ATOM 937 CG GLN p 59 -6.450 -7.495 -2.034 1.00 0.00 C ATOM 938 CD GLN p 59 -7.484 -8.601 -1.956 1.00 0.00 C ATOM 939 OE1 GLN p 59 -8.542 -8.523 -2.581 1.00 0.00 O ATOM 940 NE2 GLN p 59 -7.180 -9.640 -1.187 1.00 0.00 N ATOM 0 H GLN p 59 -3.327 -7.057 -4.212 1.00 0.00 H new ATOM 0 HA GLN p 59 -6.166 -6.571 -4.809 1.00 0.00 H new ATOM 0 HB2 GLN p 59 -5.708 -8.604 -3.688 1.00 0.00 H new ATOM 0 HB3 GLN p 59 -4.464 -7.884 -2.686 1.00 0.00 H new ATOM 0 HG2 GLN p 59 -5.928 -7.426 -1.080 1.00 0.00 H new ATOM 0 HG3 GLN p 59 -6.957 -6.543 -2.190 1.00 0.00 H new ATOM 0 HE21 GLN p 59 -6.291 -9.662 -0.687 1.00 0.00 H new ATOM 0 HE22 GLN p 59 -7.835 -10.416 -1.096 1.00 0.00 H new ATOM 949 N LEU p 60 -4.136 -4.722 -3.075 1.00 0.00 N ATOM 950 CA LEU p 60 -3.908 -3.440 -2.403 1.00 0.00 C ATOM 951 C LEU p 60 -3.846 -2.317 -3.446 1.00 0.00 C ATOM 952 O LEU p 60 -3.904 -1.133 -3.123 1.00 0.00 O ATOM 953 CB LEU p 60 -2.604 -3.499 -1.584 1.00 0.00 C ATOM 954 CG LEU p 60 -2.314 -2.315 -0.636 1.00 0.00 C ATOM 955 CD1 LEU p 60 -1.441 -1.295 -1.338 1.00 0.00 C ATOM 956 CD2 LEU p 60 -3.602 -1.666 -0.153 1.00 0.00 C ATOM 0 H LEU p 60 -3.275 -5.231 -3.275 1.00 0.00 H new ATOM 0 HA LEU p 60 -4.732 -3.236 -1.719 1.00 0.00 H new ATOM 0 HB2 LEU p 60 -2.619 -4.412 -0.989 1.00 0.00 H new ATOM 0 HB3 LEU p 60 -1.771 -3.586 -2.281 1.00 0.00 H new ATOM 0 HG LEU p 60 -1.787 -2.698 0.238 1.00 0.00 H new ATOM 0 HD11 LEU p 60 -1.240 -0.462 -0.664 1.00 0.00 H new ATOM 0 HD12 LEU p 60 -0.500 -1.761 -1.630 1.00 0.00 H new ATOM 0 HD13 LEU p 60 -1.954 -0.927 -2.226 1.00 0.00 H new ATOM 0 HD21 LEU p 60 -3.364 -0.836 0.512 1.00 0.00 H new ATOM 0 HD22 LEU p 60 -4.166 -1.295 -1.009 1.00 0.00 H new ATOM 0 HD23 LEU p 60 -4.201 -2.401 0.384 1.00 0.00 H new ATOM 968 N LYS p 61 -3.732 -2.758 -4.687 1.00 0.00 N ATOM 969 CA LYS p 61 -3.682 -1.936 -5.882 1.00 0.00 C ATOM 970 C LYS p 61 -5.099 -1.857 -6.399 1.00 0.00 C ATOM 971 O LYS p 61 -5.517 -0.885 -7.034 1.00 0.00 O ATOM 972 CB LYS p 61 -2.755 -2.580 -6.915 1.00 0.00 C ATOM 973 CG LYS p 61 -1.384 -1.929 -7.011 1.00 0.00 C ATOM 974 CD LYS p 61 -1.346 -0.846 -8.081 1.00 0.00 C ATOM 975 CE LYS p 61 0.027 -0.203 -8.174 1.00 0.00 C ATOM 976 NZ LYS p 61 0.076 0.858 -9.218 1.00 0.00 N ATOM 0 H LYS p 61 -3.668 -3.754 -4.898 1.00 0.00 H new ATOM 0 HA LYS p 61 -3.291 -0.940 -5.675 1.00 0.00 H new ATOM 0 HB2 LYS p 61 -2.628 -3.634 -6.667 1.00 0.00 H new ATOM 0 HB3 LYS p 61 -3.234 -2.539 -7.893 1.00 0.00 H new ATOM 0 HG2 LYS p 61 -1.119 -1.496 -6.046 1.00 0.00 H new ATOM 0 HG3 LYS p 61 -0.636 -2.689 -7.236 1.00 0.00 H new ATOM 0 HD2 LYS p 61 -1.613 -1.277 -9.046 1.00 0.00 H new ATOM 0 HD3 LYS p 61 -2.091 -0.084 -7.855 1.00 0.00 H new ATOM 0 HE2 LYS p 61 0.293 0.226 -7.208 1.00 0.00 H new ATOM 0 HE3 LYS p 61 0.771 -0.967 -8.399 1.00 0.00 H new ATOM 0 HZ1 LYS p 61 1.030 1.271 -9.249 1.00 0.00 H new ATOM 0 HZ2 LYS p 61 -0.152 0.444 -10.144 1.00 0.00 H new ATOM 0 HZ3 LYS p 61 -0.616 1.601 -8.991 1.00 0.00 H new ATOM 990 N TRP p 62 -5.816 -2.943 -6.089 1.00 0.00 N ATOM 991 CA TRP p 62 -7.229 -3.088 -6.373 1.00 0.00 C ATOM 992 C TRP p 62 -7.962 -2.367 -5.261 1.00 0.00 C ATOM 993 O TRP p 62 -9.058 -1.832 -5.448 1.00 0.00 O ATOM 994 CB TRP p 62 -7.628 -4.561 -6.414 1.00 0.00 C ATOM 995 CG TRP p 62 -8.541 -4.902 -7.555 1.00 0.00 C ATOM 996 CD1 TRP p 62 -9.902 -5.002 -7.509 1.00 0.00 C ATOM 997 CD2 TRP p 62 -8.163 -5.190 -8.911 1.00 0.00 C ATOM 998 NE1 TRP p 62 -10.394 -5.331 -8.747 1.00 0.00 N ATOM 999 CE2 TRP p 62 -9.348 -5.453 -9.626 1.00 0.00 C ATOM 1000 CE3 TRP p 62 -6.940 -5.251 -9.594 1.00 0.00 C ATOM 1001 CZ2 TRP p 62 -9.347 -5.770 -10.981 1.00 0.00 C ATOM 1002 CZ3 TRP p 62 -6.943 -5.566 -10.941 1.00 0.00 C ATOM 1003 CH2 TRP p 62 -8.140 -5.821 -11.621 1.00 0.00 C ATOM 0 H TRP p 62 -5.412 -3.756 -5.624 1.00 0.00 H new ATOM 0 HA TRP p 62 -7.477 -2.669 -7.348 1.00 0.00 H new ATOM 0 HB2 TRP p 62 -6.728 -5.171 -6.485 1.00 0.00 H new ATOM 0 HB3 TRP p 62 -8.118 -4.823 -5.476 1.00 0.00 H new ATOM 0 HD1 TRP p 62 -10.504 -4.845 -6.626 1.00 0.00 H new ATOM 0 HE1 TRP p 62 -11.379 -5.464 -8.977 1.00 0.00 H new ATOM 0 HE3 TRP p 62 -6.012 -5.055 -9.078 1.00 0.00 H new ATOM 0 HZ2 TRP p 62 -10.268 -5.969 -11.509 1.00 0.00 H new ATOM 0 HZ3 TRP p 62 -6.007 -5.616 -11.477 1.00 0.00 H new ATOM 0 HH2 TRP p 62 -8.109 -6.063 -12.673 1.00 0.00 H new ATOM 1014 N LYS p 63 -7.307 -2.375 -4.086 1.00 0.00 N ATOM 1015 CA LYS p 63 -7.803 -1.650 -2.911 1.00 0.00 C ATOM 1016 C LYS p 63 -7.344 -0.189 -2.975 1.00 0.00 C ATOM 1017 O LYS p 63 -7.825 0.651 -2.221 1.00 0.00 O ATOM 1018 CB LYS p 63 -7.342 -2.288 -1.604 1.00 0.00 C ATOM 1019 CG LYS p 63 -8.226 -3.432 -1.141 1.00 0.00 C ATOM 1020 CD LYS p 63 -7.823 -3.923 0.239 1.00 0.00 C ATOM 1021 CE LYS p 63 -8.690 -5.086 0.693 1.00 0.00 C ATOM 1022 NZ LYS p 63 -8.294 -5.580 2.041 1.00 0.00 N ATOM 0 H LYS p 63 -6.433 -2.877 -3.929 1.00 0.00 H new ATOM 0 HA LYS p 63 -8.892 -1.697 -2.927 1.00 0.00 H new ATOM 0 HB2 LYS p 63 -6.323 -2.655 -1.728 1.00 0.00 H new ATOM 0 HB3 LYS p 63 -7.314 -1.524 -0.827 1.00 0.00 H new ATOM 0 HG2 LYS p 63 -9.266 -3.106 -1.123 1.00 0.00 H new ATOM 0 HG3 LYS p 63 -8.162 -4.254 -1.854 1.00 0.00 H new ATOM 0 HD2 LYS p 63 -6.778 -4.231 0.225 1.00 0.00 H new ATOM 0 HD3 LYS p 63 -7.905 -3.106 0.955 1.00 0.00 H new ATOM 0 HE2 LYS p 63 -9.734 -4.774 0.713 1.00 0.00 H new ATOM 0 HE3 LYS p 63 -8.614 -5.899 -0.029 1.00 0.00 H new ATOM 0 HZ1 LYS p 63 -8.909 -6.373 2.315 1.00 0.00 H new ATOM 0 HZ2 LYS p 63 -7.305 -5.901 2.016 1.00 0.00 H new ATOM 0 HZ3 LYS p 63 -8.391 -4.811 2.735 1.00 0.00 H new ATOM 1036 N LEU p 64 -6.379 0.066 -3.877 1.00 0.00 N ATOM 1037 CA LEU p 64 -5.812 1.394 -4.132 1.00 0.00 C ATOM 1038 C LEU p 64 -6.651 2.117 -5.190 1.00 0.00 C ATOM 1039 O LEU p 64 -6.567 3.327 -5.374 1.00 0.00 O ATOM 1040 CB LEU p 64 -4.352 1.238 -4.617 1.00 0.00 C ATOM 1041 CG LEU p 64 -3.496 2.510 -4.780 1.00 0.00 C ATOM 1042 CD1 LEU p 64 -3.543 2.986 -6.219 1.00 0.00 C ATOM 1043 CD2 LEU p 64 -3.953 3.610 -3.841 1.00 0.00 C ATOM 0 H LEU p 64 -5.966 -0.663 -4.459 1.00 0.00 H new ATOM 0 HA LEU p 64 -5.823 1.984 -3.215 1.00 0.00 H new ATOM 0 HB2 LEU p 64 -3.838 0.579 -3.918 1.00 0.00 H new ATOM 0 HB3 LEU p 64 -4.374 0.727 -5.579 1.00 0.00 H new ATOM 0 HG LEU p 64 -2.467 2.262 -4.520 1.00 0.00 H new ATOM 0 HD11 LEU p 64 -2.936 3.885 -6.325 1.00 0.00 H new ATOM 0 HD12 LEU p 64 -3.154 2.206 -6.873 1.00 0.00 H new ATOM 0 HD13 LEU p 64 -4.574 3.210 -6.495 1.00 0.00 H new ATOM 0 HD21 LEU p 64 -3.328 4.492 -3.982 1.00 0.00 H new ATOM 0 HD22 LEU p 64 -4.991 3.863 -4.055 1.00 0.00 H new ATOM 0 HD23 LEU p 64 -3.868 3.267 -2.810 1.00 0.00 H new ATOM 1055 N GLN p 65 -7.431 1.298 -5.861 1.00 0.00 N ATOM 1056 CA GLN p 65 -8.366 1.649 -6.902 1.00 0.00 C ATOM 1057 C GLN p 65 -9.710 1.787 -6.211 1.00 0.00 C ATOM 1058 O GLN p 65 -10.639 2.413 -6.709 1.00 0.00 O ATOM 1059 CB GLN p 65 -8.359 0.522 -7.948 1.00 0.00 C ATOM 1060 CG GLN p 65 -9.650 0.366 -8.731 1.00 0.00 C ATOM 1061 CD GLN p 65 -9.434 0.296 -10.230 1.00 0.00 C ATOM 1062 OE1 GLN p 65 -9.434 1.318 -10.916 1.00 0.00 O ATOM 1063 NE2 GLN p 65 -9.249 -0.913 -10.746 1.00 0.00 N ATOM 0 H GLN p 65 -7.426 0.295 -5.678 1.00 0.00 H new ATOM 0 HA GLN p 65 -8.122 2.576 -7.422 1.00 0.00 H new ATOM 0 HB2 GLN p 65 -7.545 0.703 -8.650 1.00 0.00 H new ATOM 0 HB3 GLN p 65 -8.141 -0.420 -7.444 1.00 0.00 H new ATOM 0 HG2 GLN p 65 -10.160 -0.539 -8.401 1.00 0.00 H new ATOM 0 HG3 GLN p 65 -10.309 1.204 -8.504 1.00 0.00 H new ATOM 0 HE21 GLN p 65 -9.257 -1.733 -10.139 1.00 0.00 H new ATOM 0 HE22 GLN p 65 -9.099 -1.022 -11.749 1.00 0.00 H new ATOM 1072 N ALA p 66 -9.740 1.140 -5.045 1.00 0.00 N ATOM 1073 CA ALA p 66 -10.870 1.118 -4.129 1.00 0.00 C ATOM 1074 C ALA p 66 -10.638 2.209 -3.108 1.00 0.00 C ATOM 1075 O ALA p 66 -11.560 2.658 -2.433 1.00 0.00 O ATOM 1076 CB ALA p 66 -11.013 -0.237 -3.454 1.00 0.00 C ATOM 0 H ALA p 66 -8.946 0.598 -4.704 1.00 0.00 H new ATOM 0 HA ALA p 66 -11.799 1.290 -4.673 1.00 0.00 H new ATOM 0 HB1 ALA p 66 -11.867 -0.218 -2.777 1.00 0.00 H new ATOM 0 HB2 ALA p 66 -11.167 -1.006 -4.211 1.00 0.00 H new ATOM 0 HB3 ALA p 66 -10.107 -0.460 -2.890 1.00 0.00 H new ATOM 1082 N LEU p 67 -9.351 2.596 -3.016 1.00 0.00 N ATOM 1083 CA LEU p 67 -8.889 3.684 -2.165 1.00 0.00 C ATOM 1084 C LEU p 67 -8.999 4.948 -3.006 1.00 0.00 C ATOM 1085 O LEU p 67 -9.324 6.026 -2.523 1.00 0.00 O ATOM 1086 CB LEU p 67 -7.428 3.453 -1.702 1.00 0.00 C ATOM 1087 CG LEU p 67 -6.807 4.508 -0.754 1.00 0.00 C ATOM 1088 CD1 LEU p 67 -5.793 5.349 -1.506 1.00 0.00 C ATOM 1089 CD2 LEU p 67 -7.874 5.407 -0.174 1.00 0.00 C ATOM 0 H LEU p 67 -8.601 2.148 -3.543 1.00 0.00 H new ATOM 0 HA LEU p 67 -9.488 3.755 -1.257 1.00 0.00 H new ATOM 0 HB2 LEU p 67 -7.381 2.484 -1.205 1.00 0.00 H new ATOM 0 HB3 LEU p 67 -6.800 3.386 -2.590 1.00 0.00 H new ATOM 0 HG LEU p 67 -6.313 3.981 0.062 1.00 0.00 H new ATOM 0 HD11 LEU p 67 -5.361 6.088 -0.831 1.00 0.00 H new ATOM 0 HD12 LEU p 67 -5.003 4.706 -1.893 1.00 0.00 H new ATOM 0 HD13 LEU p 67 -6.285 5.858 -2.335 1.00 0.00 H new ATOM 0 HD21 LEU p 67 -7.412 6.139 0.488 1.00 0.00 H new ATOM 0 HD22 LEU p 67 -8.392 5.924 -0.981 1.00 0.00 H new ATOM 0 HD23 LEU p 67 -8.588 4.807 0.390 1.00 0.00 H new ATOM 1101 N LYS p 68 -8.710 4.745 -4.279 1.00 0.00 N ATOM 1102 CA LYS p 68 -8.808 5.775 -5.317 1.00 0.00 C ATOM 1103 C LYS p 68 -10.267 5.949 -5.674 1.00 0.00 C ATOM 1104 O LYS p 68 -10.680 7.015 -6.119 1.00 0.00 O ATOM 1105 CB LYS p 68 -7.986 5.432 -6.561 1.00 0.00 C ATOM 1106 CG LYS p 68 -6.636 6.139 -6.628 1.00 0.00 C ATOM 1107 CD LYS p 68 -6.740 7.499 -7.310 1.00 0.00 C ATOM 1108 CE LYS p 68 -5.388 8.196 -7.391 1.00 0.00 C ATOM 1109 NZ LYS p 68 -4.938 8.708 -6.066 1.00 0.00 N ATOM 0 H LYS p 68 -8.393 3.843 -4.635 1.00 0.00 H new ATOM 0 HA LYS p 68 -8.395 6.705 -4.926 1.00 0.00 H new ATOM 0 HB2 LYS p 68 -7.822 4.355 -6.590 1.00 0.00 H new ATOM 0 HB3 LYS p 68 -8.564 5.690 -7.448 1.00 0.00 H new ATOM 0 HG2 LYS p 68 -6.243 6.268 -5.619 1.00 0.00 H new ATOM 0 HG3 LYS p 68 -5.926 5.515 -7.170 1.00 0.00 H new ATOM 0 HD2 LYS p 68 -7.144 7.372 -8.314 1.00 0.00 H new ATOM 0 HD3 LYS p 68 -7.441 8.128 -6.761 1.00 0.00 H new ATOM 0 HE2 LYS p 68 -4.645 7.500 -7.781 1.00 0.00 H new ATOM 0 HE3 LYS p 68 -5.450 9.024 -8.097 1.00 0.00 H new ATOM 0 HZ1 LYS p 68 -4.014 9.174 -6.170 1.00 0.00 H new ATOM 0 HZ2 LYS p 68 -5.633 9.392 -5.704 1.00 0.00 H new ATOM 0 HZ3 LYS p 68 -4.853 7.915 -5.398 1.00 0.00 H new ATOM 1123 N LYS p 69 -11.029 4.854 -5.493 1.00 0.00 N ATOM 1124 CA LYS p 69 -12.481 4.878 -5.668 1.00 0.00 C ATOM 1125 C LYS p 69 -13.082 5.393 -4.367 1.00 0.00 C ATOM 1126 O LYS p 69 -14.242 5.799 -4.310 1.00 0.00 O ATOM 1127 CB LYS p 69 -13.030 3.493 -5.993 1.00 0.00 C ATOM 1128 CG LYS p 69 -13.502 3.332 -7.430 1.00 0.00 C ATOM 1129 CD LYS p 69 -14.988 3.632 -7.573 1.00 0.00 C ATOM 1130 CE LYS p 69 -15.458 3.458 -9.008 1.00 0.00 C ATOM 1131 NZ LYS p 69 -16.913 3.732 -9.154 1.00 0.00 N ATOM 0 H LYS p 69 -10.656 3.943 -5.225 1.00 0.00 H new ATOM 0 HA LYS p 69 -12.743 5.524 -6.506 1.00 0.00 H new ATOM 0 HB2 LYS p 69 -12.257 2.751 -5.791 1.00 0.00 H new ATOM 0 HB3 LYS p 69 -13.862 3.278 -5.323 1.00 0.00 H new ATOM 0 HG2 LYS p 69 -12.932 3.999 -8.077 1.00 0.00 H new ATOM 0 HG3 LYS p 69 -13.302 2.315 -7.767 1.00 0.00 H new ATOM 0 HD2 LYS p 69 -15.558 2.971 -6.920 1.00 0.00 H new ATOM 0 HD3 LYS p 69 -15.187 4.652 -7.245 1.00 0.00 H new ATOM 0 HE2 LYS p 69 -14.896 4.129 -9.658 1.00 0.00 H new ATOM 0 HE3 LYS p 69 -15.245 2.441 -9.339 1.00 0.00 H new ATOM 0 HZ1 LYS p 69 -17.193 3.602 -10.147 1.00 0.00 H new ATOM 0 HZ2 LYS p 69 -17.452 3.075 -8.554 1.00 0.00 H new ATOM 0 HZ3 LYS p 69 -17.113 4.710 -8.863 1.00 0.00 H new ATOM 1145 N LYS p 70 -12.232 5.340 -3.325 1.00 0.00 N ATOM 1146 CA LYS p 70 -12.536 5.845 -1.993 1.00 0.00 C ATOM 1147 C LYS p 70 -12.050 7.283 -1.927 1.00 0.00 C ATOM 1148 O LYS p 70 -12.493 8.071 -1.093 1.00 0.00 O ATOM 1149 CB LYS p 70 -11.847 5.013 -0.917 1.00 0.00 C ATOM 1150 CG LYS p 70 -12.800 4.271 0.009 1.00 0.00 C ATOM 1151 CD LYS p 70 -12.719 4.799 1.434 1.00 0.00 C ATOM 1152 CE LYS p 70 -13.653 4.046 2.372 1.00 0.00 C ATOM 1153 NZ LYS p 70 -15.082 4.412 2.155 1.00 0.00 N ATOM 0 H LYS p 70 -11.299 4.935 -3.397 1.00 0.00 H new ATOM 0 HA LYS p 70 -13.609 5.786 -1.812 1.00 0.00 H new ATOM 0 HB2 LYS p 70 -11.191 4.289 -1.399 1.00 0.00 H new ATOM 0 HB3 LYS p 70 -11.214 5.668 -0.318 1.00 0.00 H new ATOM 0 HG2 LYS p 70 -13.820 4.373 -0.360 1.00 0.00 H new ATOM 0 HG3 LYS p 70 -12.563 3.207 0.000 1.00 0.00 H new ATOM 0 HD2 LYS p 70 -11.694 4.713 1.796 1.00 0.00 H new ATOM 0 HD3 LYS p 70 -12.972 5.859 1.443 1.00 0.00 H new ATOM 0 HE2 LYS p 70 -13.528 2.973 2.223 1.00 0.00 H new ATOM 0 HE3 LYS p 70 -13.378 4.259 3.405 1.00 0.00 H new ATOM 0 HZ1 LYS p 70 -15.682 3.876 2.814 1.00 0.00 H new ATOM 0 HZ2 LYS p 70 -15.209 5.431 2.322 1.00 0.00 H new ATOM 0 HZ3 LYS p 70 -15.354 4.185 1.177 1.00 0.00 H new ATOM 1167 N ASN p 71 -11.096 7.574 -2.826 1.00 0.00 N ATOM 1168 CA ASN p 71 -10.523 8.910 -3.006 1.00 0.00 C ATOM 1169 C ASN p 71 -11.359 9.630 -4.061 1.00 0.00 C ATOM 1170 O ASN p 71 -11.275 10.843 -4.228 1.00 0.00 O ATOM 1171 CB ASN p 71 -9.057 8.845 -3.445 1.00 0.00 C ATOM 1172 CG ASN p 71 -8.261 10.057 -2.997 1.00 0.00 C ATOM 1173 OD1 ASN p 71 -7.671 10.062 -1.916 1.00 0.00 O ATOM 1174 ND2 ASN p 71 -8.243 11.093 -3.827 1.00 0.00 N ATOM 0 H ASN p 71 -10.698 6.876 -3.455 1.00 0.00 H new ATOM 0 HA ASN p 71 -10.543 9.446 -2.057 1.00 0.00 H new ATOM 0 HB2 ASN p 71 -8.599 7.943 -3.038 1.00 0.00 H new ATOM 0 HB3 ASN p 71 -9.010 8.765 -4.531 1.00 0.00 H new ATOM 0 HD21 ASN p 71 -7.726 11.936 -3.579 1.00 0.00 H new ATOM 0 HD22 ASN p 71 -8.746 11.045 -4.713 1.00 0.00 H new ATOM 1181 N ALA p 72 -12.141 8.806 -4.777 1.00 0.00 N ATOM 1182 CA ALA p 72 -13.095 9.227 -5.793 1.00 0.00 C ATOM 1183 C ALA p 72 -14.418 9.378 -5.084 1.00 0.00 C ATOM 1184 O ALA p 72 -15.325 10.063 -5.545 1.00 0.00 O ATOM 1185 CB ALA p 72 -13.209 8.217 -6.927 1.00 0.00 C ATOM 0 H ALA p 72 -12.119 7.794 -4.653 1.00 0.00 H new ATOM 0 HA ALA p 72 -12.771 10.159 -6.256 1.00 0.00 H new ATOM 0 HB1 ALA p 72 -13.932 8.574 -7.661 1.00 0.00 H new ATOM 0 HB2 ALA p 72 -12.237 8.095 -7.405 1.00 0.00 H new ATOM 0 HB3 ALA p 72 -13.540 7.258 -6.528 1.00 0.00 H new ATOM 1191 N GLN p 73 -14.477 8.674 -3.937 1.00 0.00 N ATOM 1192 CA GLN p 73 -15.565 8.687 -3.014 1.00 0.00 C ATOM 1193 C GLN p 73 -15.352 9.890 -2.128 1.00 0.00 C ATOM 1194 O GLN p 73 -16.285 10.539 -1.682 1.00 0.00 O ATOM 1195 CB GLN p 73 -15.465 7.419 -2.208 1.00 0.00 C ATOM 1196 CG GLN p 73 -16.579 7.226 -1.243 1.00 0.00 C ATOM 1197 CD GLN p 73 -17.465 6.039 -1.568 1.00 0.00 C ATOM 1198 OE1 GLN p 73 -17.213 4.921 -1.120 1.00 0.00 O ATOM 1199 NE2 GLN p 73 -18.510 6.278 -2.353 1.00 0.00 N ATOM 0 H GLN p 73 -13.718 8.061 -3.640 1.00 0.00 H new ATOM 0 HA GLN p 73 -16.543 8.741 -3.493 1.00 0.00 H new ATOM 0 HB2 GLN p 73 -15.437 6.569 -2.890 1.00 0.00 H new ATOM 0 HB3 GLN p 73 -14.522 7.421 -1.662 1.00 0.00 H new ATOM 0 HG2 GLN p 73 -16.164 7.096 -0.243 1.00 0.00 H new ATOM 0 HG3 GLN p 73 -17.189 8.129 -1.220 1.00 0.00 H new ATOM 0 HE21 GLN p 73 -18.681 7.221 -2.702 1.00 0.00 H new ATOM 0 HE22 GLN p 73 -19.142 5.518 -2.607 1.00 0.00 H new ATOM 1208 N LEU p 74 -14.063 10.095 -1.867 1.00 0.00 N ATOM 1209 CA LEU p 74 -13.544 11.226 -1.114 1.00 0.00 C ATOM 1210 C LEU p 74 -13.614 12.447 -2.009 1.00 0.00 C ATOM 1211 O LEU p 74 -13.837 13.537 -1.557 1.00 0.00 O ATOM 1212 CB LEU p 74 -12.097 10.965 -0.690 1.00 0.00 C ATOM 1213 CG LEU p 74 -11.505 11.884 0.386 1.00 0.00 C ATOM 1214 CD1 LEU p 74 -12.076 11.586 1.769 1.00 0.00 C ATOM 1215 CD2 LEU p 74 -10.000 11.723 0.383 1.00 0.00 C ATOM 0 H LEU p 74 -13.332 9.458 -2.184 1.00 0.00 H new ATOM 0 HA LEU p 74 -14.134 11.381 -0.211 1.00 0.00 H new ATOM 0 HB2 LEU p 74 -12.030 9.938 -0.331 1.00 0.00 H new ATOM 0 HB3 LEU p 74 -11.467 11.034 -1.577 1.00 0.00 H new ATOM 0 HG LEU p 74 -11.773 12.915 0.154 1.00 0.00 H new ATOM 0 HD11 LEU p 74 -11.629 12.260 2.500 1.00 0.00 H new ATOM 0 HD12 LEU p 74 -13.156 11.730 1.755 1.00 0.00 H new ATOM 0 HD13 LEU p 74 -11.851 10.555 2.041 1.00 0.00 H new ATOM 0 HD21 LEU p 74 -9.563 12.371 1.143 1.00 0.00 H new ATOM 0 HD22 LEU p 74 -9.745 10.686 0.599 1.00 0.00 H new ATOM 0 HD23 LEU p 74 -9.607 11.997 -0.596 1.00 0.00 H new ATOM 1227 N LYS p 75 -13.460 12.199 -3.303 1.00 0.00 N ATOM 1228 CA LYS p 75 -13.552 13.229 -4.334 1.00 0.00 C ATOM 1229 C LYS p 75 -15.021 13.457 -4.591 1.00 0.00 C ATOM 1230 O LYS p 75 -15.438 14.492 -5.114 1.00 0.00 O ATOM 1231 CB LYS p 75 -12.856 12.784 -5.611 1.00 0.00 C ATOM 1232 CG LYS p 75 -11.663 13.638 -6.003 1.00 0.00 C ATOM 1233 CD LYS p 75 -12.040 14.696 -7.032 1.00 0.00 C ATOM 1234 CE LYS p 75 -10.848 15.561 -7.418 1.00 0.00 C ATOM 1235 NZ LYS p 75 -9.887 14.834 -8.296 1.00 0.00 N ATOM 0 H LYS p 75 -13.266 11.268 -3.672 1.00 0.00 H new ATOM 0 HA LYS p 75 -13.062 14.145 -4.005 1.00 0.00 H new ATOM 0 HB2 LYS p 75 -12.525 11.752 -5.490 1.00 0.00 H new ATOM 0 HB3 LYS p 75 -13.579 12.794 -6.427 1.00 0.00 H new ATOM 0 HG2 LYS p 75 -11.255 14.123 -5.116 1.00 0.00 H new ATOM 0 HG3 LYS p 75 -10.877 13.001 -6.408 1.00 0.00 H new ATOM 0 HD2 LYS p 75 -12.440 14.211 -7.922 1.00 0.00 H new ATOM 0 HD3 LYS p 75 -12.832 15.328 -6.630 1.00 0.00 H new ATOM 0 HE2 LYS p 75 -11.201 16.456 -7.931 1.00 0.00 H new ATOM 0 HE3 LYS p 75 -10.334 15.893 -6.516 1.00 0.00 H new ATOM 0 HZ1 LYS p 75 -9.092 15.461 -8.534 1.00 0.00 H new ATOM 0 HZ2 LYS p 75 -9.529 13.994 -7.798 1.00 0.00 H new ATOM 0 HZ3 LYS p 75 -10.369 14.540 -9.169 1.00 0.00 H new ATOM 1249 N LYS p 76 -15.784 12.430 -4.203 1.00 0.00 N ATOM 1250 CA LYS p 76 -17.235 12.461 -4.278 1.00 0.00 C ATOM 1251 C LYS p 76 -17.761 13.035 -2.980 1.00 0.00 C ATOM 1252 O LYS p 76 -18.817 13.673 -2.946 1.00 0.00 O ATOM 1253 CB LYS p 76 -17.802 11.067 -4.510 1.00 0.00 C ATOM 1254 CG LYS p 76 -18.281 10.814 -5.932 1.00 0.00 C ATOM 1255 CD LYS p 76 -19.769 11.109 -6.089 1.00 0.00 C ATOM 1256 CE LYS p 76 -20.253 10.838 -7.507 1.00 0.00 C ATOM 1257 NZ LYS p 76 -20.351 9.379 -7.800 1.00 0.00 N ATOM 0 H LYS p 76 -15.407 11.559 -3.830 1.00 0.00 H new ATOM 0 HA LYS p 76 -17.545 13.081 -5.119 1.00 0.00 H new ATOM 0 HB2 LYS p 76 -17.038 10.331 -4.260 1.00 0.00 H new ATOM 0 HB3 LYS p 76 -18.635 10.908 -3.825 1.00 0.00 H new ATOM 0 HG2 LYS p 76 -17.712 11.436 -6.623 1.00 0.00 H new ATOM 0 HG3 LYS p 76 -18.086 9.776 -6.202 1.00 0.00 H new ATOM 0 HD2 LYS p 76 -20.337 10.497 -5.388 1.00 0.00 H new ATOM 0 HD3 LYS p 76 -19.962 12.150 -5.832 1.00 0.00 H new ATOM 0 HE2 LYS p 76 -21.229 11.302 -7.651 1.00 0.00 H new ATOM 0 HE3 LYS p 76 -19.570 11.304 -8.217 1.00 0.00 H new ATOM 0 HZ1 LYS p 76 -20.684 9.242 -8.776 1.00 0.00 H new ATOM 0 HZ2 LYS p 76 -19.415 8.939 -7.689 1.00 0.00 H new ATOM 0 HZ3 LYS p 76 -21.022 8.937 -7.140 1.00 0.00 H new ATOM 1271 N LYS p 77 -16.997 12.787 -1.909 1.00 0.00 N ATOM 1272 CA LYS p 77 -17.326 13.309 -0.587 1.00 0.00 C ATOM 1273 C LYS p 77 -16.735 14.700 -0.389 1.00 0.00 C ATOM 1274 O LYS p 77 -17.203 15.462 0.461 1.00 0.00 O ATOM 1275 CB LYS p 77 -16.830 12.365 0.504 1.00 0.00 C ATOM 1276 CG LYS p 77 -17.925 11.536 1.163 1.00 0.00 C ATOM 1277 CD LYS p 77 -18.489 12.222 2.400 1.00 0.00 C ATOM 1278 CE LYS p 77 -19.556 11.372 3.071 1.00 0.00 C ATOM 1279 NZ LYS p 77 -20.096 12.022 4.296 1.00 0.00 N ATOM 0 H LYS p 77 -16.146 12.226 -1.938 1.00 0.00 H new ATOM 0 HA LYS p 77 -18.411 13.383 -0.516 1.00 0.00 H new ATOM 0 HB2 LYS p 77 -16.089 11.691 0.075 1.00 0.00 H new ATOM 0 HB3 LYS p 77 -16.323 12.950 1.271 1.00 0.00 H new ATOM 0 HG2 LYS p 77 -18.728 11.360 0.447 1.00 0.00 H new ATOM 0 HG3 LYS p 77 -17.525 10.560 1.439 1.00 0.00 H new ATOM 0 HD2 LYS p 77 -17.683 12.421 3.106 1.00 0.00 H new ATOM 0 HD3 LYS p 77 -18.913 13.187 2.121 1.00 0.00 H new ATOM 0 HE2 LYS p 77 -20.369 11.190 2.369 1.00 0.00 H new ATOM 0 HE3 LYS p 77 -19.136 10.401 3.331 1.00 0.00 H new ATOM 0 HZ1 LYS p 77 -20.820 11.410 4.723 1.00 0.00 H new ATOM 0 HZ2 LYS p 77 -19.325 12.173 4.977 1.00 0.00 H new ATOM 0 HZ3 LYS p 77 -20.520 12.938 4.045 1.00 0.00 H new ATOM 1293 N LEU p 78 -15.698 15.023 -1.182 1.00 0.00 N ATOM 1294 CA LEU p 78 -15.042 16.349 -1.113 1.00 0.00 C ATOM 1295 C LEU p 78 -16.000 17.476 -1.470 1.00 0.00 C ATOM 1296 O LEU p 78 -16.265 18.378 -0.672 1.00 0.00 O ATOM 1297 CB LEU p 78 -13.853 16.391 -2.079 1.00 0.00 C ATOM 1298 CG LEU p 78 -12.499 16.735 -1.469 1.00 0.00 C ATOM 1299 CD1 LEU p 78 -12.059 15.626 -0.538 1.00 0.00 C ATOM 1300 CD2 LEU p 78 -11.485 16.940 -2.575 1.00 0.00 C ATOM 0 H LEU p 78 -15.295 14.392 -1.875 1.00 0.00 H new ATOM 0 HA LEU p 78 -14.708 16.492 -0.086 1.00 0.00 H new ATOM 0 HB2 LEU p 78 -13.772 15.419 -2.565 1.00 0.00 H new ATOM 0 HB3 LEU p 78 -14.072 17.120 -2.859 1.00 0.00 H new ATOM 0 HG LEU p 78 -12.580 17.656 -0.892 1.00 0.00 H new ATOM 0 HD11 LEU p 78 -11.091 15.877 -0.105 1.00 0.00 H new ATOM 0 HD12 LEU p 78 -12.793 15.507 0.259 1.00 0.00 H new ATOM 0 HD13 LEU p 78 -11.976 14.694 -1.097 1.00 0.00 H new ATOM 0 HD21 LEU p 78 -10.516 17.186 -2.140 1.00 0.00 H new ATOM 0 HD22 LEU p 78 -11.397 16.026 -3.162 1.00 0.00 H new ATOM 0 HD23 LEU p 78 -11.810 17.756 -3.220 1.00 0.00 H new ATOM 1312 N GLN p 79 -16.496 17.381 -2.685 1.00 0.00 N ATOM 1313 CA GLN p 79 -17.440 18.339 -3.252 1.00 0.00 C ATOM 1314 C GLN p 79 -18.888 17.992 -2.905 1.00 0.00 C ATOM 1315 O GLN p 79 -19.681 18.867 -2.549 1.00 0.00 O ATOM 1316 CB GLN p 79 -17.261 18.424 -4.777 1.00 0.00 C ATOM 1317 CG GLN p 79 -16.962 17.101 -5.480 1.00 0.00 C ATOM 1318 CD GLN p 79 -16.801 17.260 -6.980 1.00 0.00 C ATOM 1319 OE1 GLN p 79 -17.770 17.165 -7.733 1.00 0.00 O ATOM 1320 NE2 GLN p 79 -15.572 17.502 -7.420 1.00 0.00 N ATOM 0 H GLN p 79 -16.254 16.624 -3.324 1.00 0.00 H new ATOM 0 HA GLN p 79 -17.224 19.312 -2.810 1.00 0.00 H new ATOM 0 HB2 GLN p 79 -18.168 18.848 -5.208 1.00 0.00 H new ATOM 0 HB3 GLN p 79 -16.451 19.121 -4.992 1.00 0.00 H new ATOM 0 HG2 GLN p 79 -16.051 16.671 -5.064 1.00 0.00 H new ATOM 0 HG3 GLN p 79 -17.768 16.396 -5.278 1.00 0.00 H new ATOM 0 HE21 GLN p 79 -14.798 17.573 -6.759 1.00 0.00 H new ATOM 0 HE22 GLN p 79 -15.401 17.617 -8.419 1.00 0.00 H new ATOM 1329 N ALA p 80 -19.205 16.697 -3.015 1.00 0.00 N ATOM 1330 CA ALA p 80 -20.550 16.140 -2.732 1.00 0.00 C ATOM 1331 C ALA p 80 -21.630 16.732 -3.648 1.00 0.00 C ATOM 1332 O ALA p 80 -21.927 17.941 -3.520 1.00 0.00 O ATOM 1333 CB ALA p 80 -20.932 16.313 -1.257 1.00 0.00 C ATOM 1334 OXT ALA p 80 -22.167 15.979 -4.487 1.00 0.00 O ATOM 0 H ALA p 80 -18.531 15.989 -3.307 1.00 0.00 H new ATOM 0 HA ALA p 80 -20.494 15.072 -2.945 1.00 0.00 H new ATOM 0 HB1 ALA p 80 -21.923 15.893 -1.086 1.00 0.00 H new ATOM 0 HB2 ALA p 80 -20.206 15.795 -0.630 1.00 0.00 H new ATOM 0 HB3 ALA p 80 -20.938 17.373 -1.005 1.00 0.00 H new