USER MOD reduce.3.24.130724 H: found=0, std=0, add=523, rem=0, adj=3 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+ -168:sc= 0 (180deg=0) USER MOD Set 1.2: p 73 GLN : amide:sc= 0 X(o=0,f=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 :FLIP amide:sc= 0.803 F(o=0,f=0.8) USER MOD Single : p 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : p 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : p 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : p 51 GLN : amide:sc= -0.227 X(o=-0.23,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 71 ASN :FLIP amide:sc= 0 F(o=-0.82,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 -5.676 21.914 4.535 1.00 0.00 N ATOM 38 CA ALA p 3 -5.267 21.047 5.642 1.00 0.00 C ATOM 39 C ALA p 3 -5.896 19.673 5.476 1.00 0.00 C ATOM 40 O ALA p 3 -5.475 18.702 6.096 1.00 0.00 O ATOM 41 CB ALA p 3 -5.672 21.662 6.974 1.00 0.00 C ATOM 0 HA ALA p 3 -4.182 20.943 5.631 1.00 0.00 H new ATOM 0 HB1 ALA p 3 -5.361 21.006 7.787 1.00 0.00 H new ATOM 0 HB2 ALA p 3 -5.191 22.633 7.087 1.00 0.00 H new ATOM 0 HB3 ALA p 3 -6.754 21.788 7.003 1.00 0.00 H new ATOM 47 N LEU p 4 -6.928 19.648 4.627 1.00 0.00 N ATOM 48 CA LEU p 4 -7.687 18.460 4.289 1.00 0.00 C ATOM 49 C LEU p 4 -7.056 17.858 3.047 1.00 0.00 C ATOM 50 O LEU p 4 -6.970 16.640 2.890 1.00 0.00 O ATOM 51 CB LEU p 4 -9.174 18.833 4.053 1.00 0.00 C ATOM 52 CG LEU p 4 -10.167 17.675 3.796 1.00 0.00 C ATOM 53 CD1 LEU p 4 -10.298 17.408 2.306 1.00 0.00 C ATOM 54 CD2 LEU p 4 -9.736 16.409 4.519 1.00 0.00 C ATOM 0 H LEU p 4 -7.261 20.484 4.146 1.00 0.00 H new ATOM 0 HA LEU p 4 -7.666 17.731 5.099 1.00 0.00 H new ATOM 0 HB2 LEU p 4 -9.524 19.390 4.923 1.00 0.00 H new ATOM 0 HB3 LEU p 4 -9.220 19.511 3.201 1.00 0.00 H new ATOM 0 HG LEU p 4 -11.138 17.976 4.188 1.00 0.00 H new ATOM 0 HD11 LEU p 4 -11.000 16.590 2.143 1.00 0.00 H new ATOM 0 HD12 LEU p 4 -10.663 18.305 1.806 1.00 0.00 H new ATOM 0 HD13 LEU p 4 -9.324 17.137 1.898 1.00 0.00 H new ATOM 0 HD21 LEU p 4 -10.454 15.613 4.319 1.00 0.00 H new ATOM 0 HD22 LEU p 4 -8.750 16.106 4.166 1.00 0.00 H new ATOM 0 HD23 LEU p 4 -9.694 16.599 5.592 1.00 0.00 H new ATOM 66 N GLU p 5 -6.625 18.774 2.184 1.00 0.00 N ATOM 67 CA GLU p 5 -5.921 18.463 0.935 1.00 0.00 C ATOM 68 C GLU p 5 -4.479 18.149 1.266 1.00 0.00 C ATOM 69 O GLU p 5 -3.784 17.483 0.506 1.00 0.00 O ATOM 70 CB GLU p 5 -5.967 19.639 -0.041 1.00 0.00 C ATOM 71 CG GLU p 5 -7.321 20.310 -0.108 1.00 0.00 C ATOM 72 CD GLU p 5 -7.835 20.468 -1.526 1.00 0.00 C ATOM 73 OE1 GLU p 5 -7.500 21.485 -2.170 1.00 0.00 O ATOM 74 OE2 GLU p 5 -8.572 19.574 -1.993 1.00 0.00 O ATOM 0 H GLU p 5 -6.756 19.775 2.333 1.00 0.00 H new ATOM 0 HA GLU p 5 -6.409 17.612 0.460 1.00 0.00 H new ATOM 0 HB2 GLU p 5 -5.219 20.375 0.253 1.00 0.00 H new ATOM 0 HB3 GLU p 5 -5.694 19.287 -1.036 1.00 0.00 H new ATOM 0 HG2 GLU p 5 -8.038 19.727 0.470 1.00 0.00 H new ATOM 0 HG3 GLU p 5 -7.257 21.292 0.361 1.00 0.00 H new ATOM 81 N LYS p 6 -4.059 18.695 2.411 1.00 0.00 N ATOM 82 CA LYS p 6 -2.708 18.470 2.967 1.00 0.00 C ATOM 83 C LYS p 6 -2.709 17.221 3.838 1.00 0.00 C ATOM 84 O LYS p 6 -1.659 16.673 4.151 1.00 0.00 O ATOM 85 CB LYS p 6 -2.224 19.655 3.790 1.00 0.00 C ATOM 86 CG LYS p 6 -1.108 20.445 3.123 1.00 0.00 C ATOM 87 CD LYS p 6 -0.686 21.636 3.967 1.00 0.00 C ATOM 88 CE LYS p 6 0.427 22.425 3.298 1.00 0.00 C ATOM 89 NZ LYS p 6 0.845 23.598 4.114 1.00 0.00 N ATOM 0 H LYS p 6 -4.641 19.306 2.984 1.00 0.00 H new ATOM 0 HA LYS p 6 -2.027 18.344 2.126 1.00 0.00 H new ATOM 0 HB2 LYS p 6 -3.065 20.321 3.981 1.00 0.00 H new ATOM 0 HB3 LYS p 6 -1.875 19.296 4.758 1.00 0.00 H new ATOM 0 HG2 LYS p 6 -0.250 19.794 2.956 1.00 0.00 H new ATOM 0 HG3 LYS p 6 -1.441 20.791 2.144 1.00 0.00 H new ATOM 0 HD2 LYS p 6 -1.544 22.286 4.135 1.00 0.00 H new ATOM 0 HD3 LYS p 6 -0.351 21.290 4.945 1.00 0.00 H new ATOM 0 HE2 LYS p 6 1.285 21.773 3.133 1.00 0.00 H new ATOM 0 HE3 LYS p 6 0.092 22.765 2.318 1.00 0.00 H new ATOM 0 HZ1 LYS p 6 1.606 24.109 3.623 1.00 0.00 H new ATOM 0 HZ2 LYS p 6 0.033 24.233 4.250 1.00 0.00 H new ATOM 0 HZ3 LYS p 6 1.189 23.272 5.040 1.00 0.00 H new ATOM 103 N GLU p 7 -3.922 16.822 4.233 1.00 0.00 N ATOM 104 CA GLU p 7 -4.189 15.620 5.015 1.00 0.00 C ATOM 105 C GLU p 7 -4.402 14.497 4.007 1.00 0.00 C ATOM 106 O GLU p 7 -4.287 13.313 4.306 1.00 0.00 O ATOM 107 CB GLU p 7 -5.433 15.858 5.879 1.00 0.00 C ATOM 108 CG GLU p 7 -6.256 14.622 6.189 1.00 0.00 C ATOM 109 CD GLU p 7 -6.419 14.375 7.675 1.00 0.00 C ATOM 110 OE1 GLU p 7 -5.561 13.679 8.260 1.00 0.00 O ATOM 111 OE2 GLU p 7 -7.404 14.877 8.257 1.00 0.00 O ATOM 0 H GLU p 7 -4.768 17.345 4.008 1.00 0.00 H new ATOM 0 HA GLU p 7 -3.372 15.362 5.689 1.00 0.00 H new ATOM 0 HB2 GLU p 7 -5.120 16.311 6.820 1.00 0.00 H new ATOM 0 HB3 GLU p 7 -6.072 16.582 5.374 1.00 0.00 H new ATOM 0 HG2 GLU p 7 -7.241 14.725 5.733 1.00 0.00 H new ATOM 0 HG3 GLU p 7 -5.782 13.753 5.732 1.00 0.00 H new ATOM 118 N LEU p 8 -4.732 14.970 2.808 1.00 0.00 N ATOM 119 CA LEU p 8 -4.953 14.202 1.607 1.00 0.00 C ATOM 120 C LEU p 8 -3.608 14.065 0.928 1.00 0.00 C ATOM 121 O LEU p 8 -3.314 13.067 0.288 1.00 0.00 O ATOM 122 CB LEU p 8 -5.898 14.993 0.706 1.00 0.00 C ATOM 123 CG LEU p 8 -6.711 14.243 -0.346 1.00 0.00 C ATOM 124 CD1 LEU p 8 -7.547 15.262 -1.074 1.00 0.00 C ATOM 125 CD2 LEU p 8 -5.825 13.498 -1.335 1.00 0.00 C ATOM 0 H LEU p 8 -4.858 15.970 2.650 1.00 0.00 H new ATOM 0 HA LEU p 8 -5.384 13.223 1.817 1.00 0.00 H new ATOM 0 HB2 LEU p 8 -6.600 15.524 1.349 1.00 0.00 H new ATOM 0 HB3 LEU p 8 -5.306 15.748 0.189 1.00 0.00 H new ATOM 0 HG LEU p 8 -7.330 13.492 0.145 1.00 0.00 H new ATOM 0 HD11 LEU p 8 -8.145 14.764 -1.837 1.00 0.00 H new ATOM 0 HD12 LEU p 8 -8.207 15.764 -0.366 1.00 0.00 H new ATOM 0 HD13 LEU p 8 -6.895 15.997 -1.546 1.00 0.00 H new ATOM 0 HD21 LEU p 8 -6.449 12.980 -2.064 1.00 0.00 H new ATOM 0 HD22 LEU p 8 -5.178 14.208 -1.850 1.00 0.00 H new ATOM 0 HD23 LEU p 8 -5.213 12.772 -0.800 1.00 0.00 H new ATOM 137 N ALA p 9 -2.841 15.156 1.058 1.00 0.00 N ATOM 138 CA ALA p 9 -1.463 15.257 0.565 1.00 0.00 C ATOM 139 C ALA p 9 -0.559 14.522 1.540 1.00 0.00 C ATOM 140 O ALA p 9 0.558 14.114 1.210 1.00 0.00 O ATOM 141 CB ALA p 9 -1.008 16.700 0.406 1.00 0.00 C ATOM 0 H ALA p 9 -3.167 16.007 1.517 1.00 0.00 H new ATOM 0 HA ALA p 9 -1.412 14.808 -0.427 1.00 0.00 H new ATOM 0 HB1 ALA p 9 0.018 16.720 0.039 1.00 0.00 H new ATOM 0 HB2 ALA p 9 -1.658 17.210 -0.305 1.00 0.00 H new ATOM 0 HB3 ALA p 9 -1.058 17.206 1.370 1.00 0.00 H new ATOM 147 N GLN p 10 -1.095 14.372 2.760 1.00 0.00 N ATOM 148 CA GLN p 10 -0.462 13.640 3.834 1.00 0.00 C ATOM 149 C GLN p 10 -0.940 12.207 3.706 1.00 0.00 C ATOM 150 O GLN p 10 -0.245 11.282 4.073 1.00 0.00 O ATOM 151 CB GLN p 10 -0.840 14.260 5.182 1.00 0.00 C ATOM 152 CG GLN p 10 -0.936 13.293 6.350 1.00 0.00 C ATOM 153 CD GLN p 10 0.153 13.505 7.383 1.00 0.00 C ATOM 154 OE1 GLN p 10 -0.013 14.277 8.329 1.00 0.00 O ATOM 155 NE2 GLN p 10 1.277 12.821 7.207 1.00 0.00 N ATOM 0 H GLN p 10 -1.998 14.769 3.019 1.00 0.00 H new ATOM 0 HA GLN p 10 0.626 13.677 3.776 1.00 0.00 H new ATOM 0 HB2 GLN p 10 -0.104 15.025 5.428 1.00 0.00 H new ATOM 0 HB3 GLN p 10 -1.800 14.764 5.072 1.00 0.00 H new ATOM 0 HG2 GLN p 10 -1.909 13.404 6.828 1.00 0.00 H new ATOM 0 HG3 GLN p 10 -0.880 12.271 5.975 1.00 0.00 H new ATOM 0 HE21 GLN p 10 1.372 12.192 6.409 1.00 0.00 H new ATOM 0 HE22 GLN p 10 2.046 12.924 7.869 1.00 0.00 H new ATOM 164 N ASN p 11 -2.157 12.095 3.151 1.00 0.00 N ATOM 165 CA ASN p 11 -2.824 10.822 2.849 1.00 0.00 C ATOM 166 C ASN p 11 -2.251 10.328 1.542 1.00 0.00 C ATOM 167 O ASN p 11 -2.347 9.150 1.201 1.00 0.00 O ATOM 168 CB ASN p 11 -4.342 10.981 2.725 1.00 0.00 C ATOM 169 CG ASN p 11 -5.098 9.708 3.063 1.00 0.00 C ATOM 170 OD1 ASN p 11 -5.408 9.446 4.225 1.00 0.00 O ATOM 171 ND2 ASN p 11 -5.404 8.913 2.044 1.00 0.00 N ATOM 0 H ASN p 11 -2.717 12.908 2.894 1.00 0.00 H new ATOM 0 HA ASN p 11 -2.651 10.116 3.661 1.00 0.00 H new ATOM 0 HB2 ASN p 11 -4.674 11.781 3.386 1.00 0.00 H new ATOM 0 HB3 ASN p 11 -4.589 11.285 1.708 1.00 0.00 H new ATOM 0 HD21 ASN p 11 -5.916 8.046 2.209 1.00 0.00 H new ATOM 0 HD22 ASN p 11 -5.127 9.169 1.096 1.00 0.00 H new ATOM 178 N GLU p 12 -1.673 11.298 0.819 1.00 0.00 N ATOM 179 CA GLU p 12 -0.980 11.104 -0.407 1.00 0.00 C ATOM 180 C GLU p 12 0.414 10.682 -0.018 1.00 0.00 C ATOM 181 O GLU p 12 1.058 9.903 -0.689 1.00 0.00 O ATOM 182 CB GLU p 12 -0.941 12.432 -1.116 1.00 0.00 C ATOM 183 CG GLU p 12 -0.266 12.391 -2.441 1.00 0.00 C ATOM 184 CD GLU p 12 -1.182 12.733 -3.599 1.00 0.00 C ATOM 185 OE1 GLU p 12 -1.807 11.806 -4.155 1.00 0.00 O ATOM 186 OE2 GLU p 12 -1.274 13.928 -3.951 1.00 0.00 O ATOM 0 H GLU p 12 -1.692 12.275 1.110 1.00 0.00 H new ATOM 0 HA GLU p 12 -1.444 10.364 -1.058 1.00 0.00 H new ATOM 0 HB2 GLU p 12 -1.962 12.790 -1.251 1.00 0.00 H new ATOM 0 HB3 GLU p 12 -0.430 13.156 -0.482 1.00 0.00 H new ATOM 0 HG2 GLU p 12 0.573 13.087 -2.434 1.00 0.00 H new ATOM 0 HG3 GLU p 12 0.148 11.395 -2.598 1.00 0.00 H new ATOM 193 N TRP p 13 0.820 11.286 1.094 1.00 0.00 N ATOM 194 CA TRP p 13 2.099 11.036 1.762 1.00 0.00 C ATOM 195 C TRP p 13 1.989 9.752 2.578 1.00 0.00 C ATOM 196 O TRP p 13 2.996 9.163 2.950 1.00 0.00 O ATOM 197 CB TRP p 13 2.499 12.211 2.658 1.00 0.00 C ATOM 198 CG TRP p 13 3.986 12.344 2.844 1.00 0.00 C ATOM 199 CD1 TRP p 13 4.719 11.887 3.901 1.00 0.00 C ATOM 200 CD2 TRP p 13 4.919 12.976 1.952 1.00 0.00 C ATOM 201 NE1 TRP p 13 6.046 12.192 3.724 1.00 0.00 N ATOM 202 CE2 TRP p 13 6.196 12.861 2.538 1.00 0.00 C ATOM 203 CE3 TRP p 13 4.805 13.627 0.716 1.00 0.00 C ATOM 204 CZ2 TRP p 13 7.342 13.369 1.932 1.00 0.00 C ATOM 205 CZ3 TRP p 13 5.944 14.131 0.119 1.00 0.00 C ATOM 206 CH2 TRP p 13 7.198 13.999 0.727 1.00 0.00 C ATOM 0 H TRP p 13 0.252 11.985 1.573 1.00 0.00 H new ATOM 0 HA TRP p 13 2.877 10.926 1.007 1.00 0.00 H new ATOM 0 HB2 TRP p 13 2.110 13.134 2.228 1.00 0.00 H new ATOM 0 HB3 TRP p 13 2.028 12.091 3.634 1.00 0.00 H new ATOM 0 HD1 TRP p 13 4.314 11.362 4.753 1.00 0.00 H new ATOM 0 HE1 TRP p 13 6.799 11.958 4.371 1.00 0.00 H new ATOM 0 HE3 TRP p 13 3.842 13.733 0.238 1.00 0.00 H new ATOM 0 HZ2 TRP p 13 8.311 13.269 2.398 1.00 0.00 H new ATOM 0 HZ3 TRP p 13 5.866 14.635 -0.833 1.00 0.00 H new ATOM 0 HH2 TRP p 13 8.070 14.403 0.234 1.00 0.00 H new ATOM 217 N GLU p 14 0.730 9.370 2.872 1.00 0.00 N ATOM 218 CA GLU p 14 0.410 8.101 3.560 1.00 0.00 C ATOM 219 C GLU p 14 0.211 7.097 2.471 1.00 0.00 C ATOM 220 O GLU p 14 0.222 5.888 2.680 1.00 0.00 O ATOM 221 CB GLU p 14 -0.852 8.160 4.413 1.00 0.00 C ATOM 222 CG GLU p 14 -0.808 9.269 5.417 1.00 0.00 C ATOM 223 CD GLU p 14 -1.291 8.858 6.794 1.00 0.00 C ATOM 224 OE1 GLU p 14 -0.459 8.391 7.600 1.00 0.00 O ATOM 225 OE2 GLU p 14 -2.501 9.003 7.066 1.00 0.00 O ATOM 0 H GLU p 14 -0.091 9.929 2.641 1.00 0.00 H new ATOM 0 HA GLU p 14 1.219 7.856 4.249 1.00 0.00 H new ATOM 0 HB2 GLU p 14 -1.719 8.293 3.766 1.00 0.00 H new ATOM 0 HB3 GLU p 14 -0.983 7.210 4.930 1.00 0.00 H new ATOM 0 HG2 GLU p 14 0.215 9.638 5.495 1.00 0.00 H new ATOM 0 HG3 GLU p 14 -1.419 10.097 5.059 1.00 0.00 H new ATOM 232 N LEU p 15 -0.027 7.692 1.305 1.00 0.00 N ATOM 233 CA LEU p 15 -0.171 6.989 0.041 1.00 0.00 C ATOM 234 C LEU p 15 1.235 6.767 -0.504 1.00 0.00 C ATOM 235 O LEU p 15 1.514 5.758 -1.125 1.00 0.00 O ATOM 236 CB LEU p 15 -1.036 7.796 -0.953 1.00 0.00 C ATOM 237 CG LEU p 15 -1.356 7.155 -2.321 1.00 0.00 C ATOM 238 CD1 LEU p 15 -0.347 7.617 -3.356 1.00 0.00 C ATOM 239 CD2 LEU p 15 -1.367 5.639 -2.235 1.00 0.00 C ATOM 0 H LEU p 15 -0.127 8.703 1.215 1.00 0.00 H new ATOM 0 HA LEU p 15 -0.682 6.037 0.186 1.00 0.00 H new ATOM 0 HB2 LEU p 15 -1.982 8.026 -0.462 1.00 0.00 H new ATOM 0 HB3 LEU p 15 -0.534 8.746 -1.138 1.00 0.00 H new ATOM 0 HG LEU p 15 -2.353 7.477 -2.621 1.00 0.00 H new ATOM 0 HD11 LEU p 15 -0.579 7.161 -4.319 1.00 0.00 H new ATOM 0 HD12 LEU p 15 -0.391 8.702 -3.448 1.00 0.00 H new ATOM 0 HD13 LEU p 15 0.655 7.320 -3.045 1.00 0.00 H new ATOM 0 HD21 LEU p 15 -1.596 5.221 -3.215 1.00 0.00 H new ATOM 0 HD22 LEU p 15 -0.389 5.286 -1.909 1.00 0.00 H new ATOM 0 HD23 LEU p 15 -2.125 5.321 -1.519 1.00 0.00 H new ATOM 251 N GLN p 16 2.088 7.754 -0.211 1.00 0.00 N ATOM 252 CA GLN p 16 3.525 7.764 -0.558 1.00 0.00 C ATOM 253 C GLN p 16 4.203 6.920 0.464 1.00 0.00 C ATOM 254 O GLN p 16 5.275 6.382 0.246 1.00 0.00 O ATOM 255 CB GLN p 16 4.128 9.164 -0.508 1.00 0.00 C ATOM 256 CG GLN p 16 3.464 10.116 -1.457 1.00 0.00 C ATOM 257 CD GLN p 16 4.438 10.817 -2.385 1.00 0.00 C ATOM 258 OE1 GLN p 16 4.698 10.210 -3.536 1.00 0.00 O flip ATOM 259 NE2 GLN p 16 4.950 11.891 -2.070 1.00 0.00 N flip ATOM 0 H GLN p 16 1.796 8.594 0.288 1.00 0.00 H new ATOM 0 HA GLN p 16 3.654 7.397 -1.576 1.00 0.00 H new ATOM 0 HB2 GLN p 16 4.047 9.554 0.507 1.00 0.00 H new ATOM 0 HB3 GLN p 16 5.191 9.106 -0.743 1.00 0.00 H new ATOM 0 HG2 GLN p 16 2.732 9.572 -2.054 1.00 0.00 H new ATOM 0 HG3 GLN p 16 2.915 10.864 -0.885 1.00 0.00 H new ATOM 0 HE21 GLN p 16 4.721 12.322 -1.174 1.00 0.00 H new ATOM 0 HE22 GLN p 16 5.603 12.350 -2.705 1.00 0.00 H new ATOM 268 N ALA p 17 3.533 6.904 1.610 1.00 0.00 N ATOM 269 CA ALA p 17 3.908 6.075 2.756 1.00 0.00 C ATOM 270 C ALA p 17 3.279 4.711 2.549 1.00 0.00 C ATOM 271 O ALA p 17 3.643 3.746 3.207 1.00 0.00 O ATOM 272 CB ALA p 17 3.478 6.664 4.091 1.00 0.00 C ATOM 0 H ALA p 17 2.703 7.473 1.775 1.00 0.00 H new ATOM 0 HA ALA p 17 4.995 6.013 2.804 1.00 0.00 H new ATOM 0 HB1 ALA p 17 3.787 6.000 4.898 1.00 0.00 H new ATOM 0 HB2 ALA p 17 3.945 7.640 4.225 1.00 0.00 H new ATOM 0 HB3 ALA p 17 2.394 6.775 4.107 1.00 0.00 H new ATOM 278 N LEU p 18 2.290 4.691 1.631 1.00 0.00 N ATOM 279 CA LEU p 18 1.614 3.477 1.196 1.00 0.00 C ATOM 280 C LEU p 18 2.390 2.945 -0.001 1.00 0.00 C ATOM 281 O LEU p 18 2.354 1.757 -0.309 1.00 0.00 O ATOM 282 CB LEU p 18 0.145 3.748 0.816 1.00 0.00 C ATOM 283 CG LEU p 18 -0.739 2.530 0.469 1.00 0.00 C ATOM 284 CD1 LEU p 18 -0.752 2.318 -1.034 1.00 0.00 C ATOM 285 CD2 LEU p 18 -0.252 1.276 1.176 1.00 0.00 C ATOM 0 H LEU p 18 1.943 5.534 1.173 1.00 0.00 H new ATOM 0 HA LEU p 18 1.591 2.748 2.006 1.00 0.00 H new ATOM 0 HB2 LEU p 18 -0.324 4.279 1.644 1.00 0.00 H new ATOM 0 HB3 LEU p 18 0.138 4.423 -0.040 1.00 0.00 H new ATOM 0 HG LEU p 18 -1.753 2.732 0.813 1.00 0.00 H new ATOM 0 HD11 LEU p 18 -1.377 1.458 -1.275 1.00 0.00 H new ATOM 0 HD12 LEU p 18 -1.153 3.206 -1.523 1.00 0.00 H new ATOM 0 HD13 LEU p 18 0.264 2.138 -1.385 1.00 0.00 H new ATOM 0 HD21 LEU p 18 -0.895 0.436 0.911 1.00 0.00 H new ATOM 0 HD22 LEU p 18 0.772 1.060 0.870 1.00 0.00 H new ATOM 0 HD23 LEU p 18 -0.283 1.431 2.254 1.00 0.00 H new ATOM 297 N GLU p 19 3.059 3.889 -0.673 1.00 0.00 N ATOM 298 CA GLU p 19 3.944 3.601 -1.821 1.00 0.00 C ATOM 299 C GLU p 19 5.295 3.285 -1.252 1.00 0.00 C ATOM 300 O GLU p 19 6.090 2.577 -1.847 1.00 0.00 O ATOM 301 CB GLU p 19 4.096 4.770 -2.794 1.00 0.00 C ATOM 302 CG GLU p 19 2.784 5.304 -3.300 1.00 0.00 C ATOM 303 CD GLU p 19 2.668 5.269 -4.811 1.00 0.00 C ATOM 304 OE1 GLU p 19 2.192 4.247 -5.347 1.00 0.00 O ATOM 305 OE2 GLU p 19 3.053 6.266 -5.458 1.00 0.00 O ATOM 0 H GLU p 19 3.005 4.880 -0.439 1.00 0.00 H new ATOM 0 HA GLU p 19 3.505 2.781 -2.390 1.00 0.00 H new ATOM 0 HB2 GLU p 19 4.641 5.575 -2.300 1.00 0.00 H new ATOM 0 HB3 GLU p 19 4.700 4.450 -3.643 1.00 0.00 H new ATOM 0 HG2 GLU p 19 1.971 4.722 -2.866 1.00 0.00 H new ATOM 0 HG3 GLU p 19 2.660 6.331 -2.956 1.00 0.00 H new ATOM 312 N LYS p 20 5.527 3.916 -0.103 1.00 0.00 N ATOM 313 CA LYS p 20 6.734 3.721 0.710 1.00 0.00 C ATOM 314 C LYS p 20 6.550 2.490 1.588 1.00 0.00 C ATOM 315 O LYS p 20 7.515 1.925 2.102 1.00 0.00 O ATOM 316 CB LYS p 20 7.015 4.939 1.575 1.00 0.00 C ATOM 317 CG LYS p 20 8.383 5.562 1.357 1.00 0.00 C ATOM 318 CD LYS p 20 9.327 5.260 2.510 1.00 0.00 C ATOM 319 CE LYS p 20 10.702 5.867 2.280 1.00 0.00 C ATOM 320 NZ LYS p 20 11.630 5.579 3.409 1.00 0.00 N ATOM 0 H LYS p 20 4.874 4.588 0.299 1.00 0.00 H new ATOM 0 HA LYS p 20 7.586 3.580 0.045 1.00 0.00 H new ATOM 0 HB2 LYS p 20 6.251 5.692 1.380 1.00 0.00 H new ATOM 0 HB3 LYS p 20 6.922 4.654 2.623 1.00 0.00 H new ATOM 0 HG2 LYS p 20 8.811 5.185 0.428 1.00 0.00 H new ATOM 0 HG3 LYS p 20 8.278 6.641 1.245 1.00 0.00 H new ATOM 0 HD2 LYS p 20 8.907 5.650 3.437 1.00 0.00 H new ATOM 0 HD3 LYS p 20 9.421 4.181 2.632 1.00 0.00 H new ATOM 0 HE2 LYS p 20 11.123 5.474 1.354 1.00 0.00 H new ATOM 0 HE3 LYS p 20 10.607 6.945 2.154 1.00 0.00 H new ATOM 0 HZ1 LYS p 20 12.557 6.009 3.215 1.00 0.00 H new ATOM 0 HZ2 LYS p 20 11.241 5.976 4.288 1.00 0.00 H new ATOM 0 HZ3 LYS p 20 11.741 4.550 3.513 1.00 0.00 H new ATOM 334 N GLU p 21 5.272 2.110 1.750 1.00 0.00 N ATOM 335 CA GLU p 21 4.867 0.918 2.473 1.00 0.00 C ATOM 336 C GLU p 21 4.854 -0.172 1.426 1.00 0.00 C ATOM 337 O GLU p 21 5.100 -1.349 1.700 1.00 0.00 O ATOM 338 CB GLU p 21 3.492 1.116 3.126 1.00 0.00 C ATOM 339 CG GLU p 21 2.621 -0.125 3.214 1.00 0.00 C ATOM 340 CD GLU p 21 2.388 -0.584 4.640 1.00 0.00 C ATOM 341 OE1 GLU p 21 3.201 -1.385 5.146 1.00 0.00 O ATOM 342 OE2 GLU p 21 1.392 -0.141 5.251 1.00 0.00 O ATOM 0 H GLU p 21 4.486 2.639 1.371 1.00 0.00 H new ATOM 0 HA GLU p 21 5.539 0.672 3.295 1.00 0.00 H new ATOM 0 HB2 GLU p 21 3.641 1.505 4.133 1.00 0.00 H new ATOM 0 HB3 GLU p 21 2.951 1.879 2.566 1.00 0.00 H new ATOM 0 HG2 GLU p 21 1.660 0.078 2.742 1.00 0.00 H new ATOM 0 HG3 GLU p 21 3.089 -0.932 2.650 1.00 0.00 H new ATOM 349 N LEU p 22 4.540 0.288 0.205 1.00 0.00 N ATOM 350 CA LEU p 22 4.576 -0.537 -0.978 1.00 0.00 C ATOM 351 C LEU p 22 6.043 -0.741 -1.294 1.00 0.00 C ATOM 352 O LEU p 22 6.500 -1.863 -1.507 1.00 0.00 O ATOM 353 CB LEU p 22 3.876 0.183 -2.129 1.00 0.00 C ATOM 354 CG LEU p 22 3.313 -0.663 -3.268 1.00 0.00 C ATOM 355 CD1 LEU p 22 2.621 0.264 -4.237 1.00 0.00 C ATOM 356 CD2 LEU p 22 4.409 -1.439 -3.978 1.00 0.00 C ATOM 0 H LEU p 22 4.254 1.251 0.026 1.00 0.00 H new ATOM 0 HA LEU p 22 4.067 -1.489 -0.829 1.00 0.00 H new ATOM 0 HB2 LEU p 22 3.056 0.765 -1.709 1.00 0.00 H new ATOM 0 HB3 LEU p 22 4.583 0.892 -2.558 1.00 0.00 H new ATOM 0 HG LEU p 22 2.612 -1.393 -2.865 1.00 0.00 H new ATOM 0 HD11 LEU p 22 2.208 -0.315 -5.063 1.00 0.00 H new ATOM 0 HD12 LEU p 22 1.816 0.790 -3.725 1.00 0.00 H new ATOM 0 HD13 LEU p 22 3.339 0.987 -4.624 1.00 0.00 H new ATOM 0 HD21 LEU p 22 3.973 -2.030 -4.783 1.00 0.00 H new ATOM 0 HD22 LEU p 22 5.138 -0.743 -4.393 1.00 0.00 H new ATOM 0 HD23 LEU p 22 4.904 -2.102 -3.268 1.00 0.00 H new ATOM 368 N ALA p 23 6.773 0.388 -1.248 1.00 0.00 N ATOM 369 CA ALA p 23 8.233 0.405 -1.463 1.00 0.00 C ATOM 370 C ALA p 23 8.943 -0.321 -0.321 1.00 0.00 C ATOM 371 O ALA p 23 10.132 -0.620 -0.411 1.00 0.00 O ATOM 372 CB ALA p 23 8.773 1.824 -1.593 1.00 0.00 C ATOM 0 H ALA p 23 6.373 1.308 -1.062 1.00 0.00 H new ATOM 0 HA ALA p 23 8.431 -0.112 -2.402 1.00 0.00 H new ATOM 0 HB1 ALA p 23 9.851 1.790 -1.750 1.00 0.00 H new ATOM 0 HB2 ALA p 23 8.298 2.318 -2.441 1.00 0.00 H new ATOM 0 HB3 ALA p 23 8.557 2.381 -0.681 1.00 0.00 H new ATOM 378 N GLN p 24 8.174 -0.583 0.750 1.00 0.00 N ATOM 379 CA GLN p 24 8.622 -1.295 1.930 1.00 0.00 C ATOM 380 C GLN p 24 8.463 -2.799 1.697 1.00 0.00 C ATOM 381 O GLN p 24 9.214 -3.598 2.228 1.00 0.00 O ATOM 382 CB GLN p 24 7.767 -0.826 3.106 1.00 0.00 C ATOM 383 CG GLN p 24 7.709 -1.779 4.276 1.00 0.00 C ATOM 384 CD GLN p 24 8.383 -1.238 5.520 1.00 0.00 C ATOM 385 OE1 GLN p 24 9.578 -1.446 5.734 1.00 0.00 O ATOM 386 NE2 GLN p 24 7.620 -0.536 6.348 1.00 0.00 N ATOM 0 H GLN p 24 7.198 -0.291 0.807 1.00 0.00 H new ATOM 0 HA GLN p 24 9.672 -1.096 2.142 1.00 0.00 H new ATOM 0 HB2 GLN p 24 8.152 0.132 3.456 1.00 0.00 H new ATOM 0 HB3 GLN p 24 6.752 -0.650 2.750 1.00 0.00 H new ATOM 0 HG2 GLN p 24 6.667 -2.002 4.503 1.00 0.00 H new ATOM 0 HG3 GLN p 24 8.182 -2.720 3.994 1.00 0.00 H new ATOM 0 HE21 GLN p 24 6.634 -0.388 6.131 1.00 0.00 H new ATOM 0 HE22 GLN p 24 8.019 -0.144 7.201 1.00 0.00 H new ATOM 395 N LEU p 25 7.460 -3.117 0.877 1.00 0.00 N ATOM 396 CA LEU p 25 7.076 -4.463 0.471 1.00 0.00 C ATOM 397 C LEU p 25 7.967 -4.920 -0.666 1.00 0.00 C ATOM 398 O LEU p 25 8.218 -6.103 -0.848 1.00 0.00 O ATOM 399 CB LEU p 25 5.628 -4.409 -0.002 1.00 0.00 C ATOM 400 CG LEU p 25 4.775 -5.690 0.094 1.00 0.00 C ATOM 401 CD1 LEU p 25 4.093 -5.898 -1.236 1.00 0.00 C ATOM 402 CD2 LEU p 25 5.585 -6.929 0.476 1.00 0.00 C ATOM 0 H LEU p 25 6.865 -2.402 0.458 1.00 0.00 H new ATOM 0 HA LEU p 25 7.180 -5.161 1.302 1.00 0.00 H new ATOM 0 HB2 LEU p 25 5.122 -3.630 0.568 1.00 0.00 H new ATOM 0 HB3 LEU p 25 5.631 -4.090 -1.044 1.00 0.00 H new ATOM 0 HG LEU p 25 4.047 -5.554 0.894 1.00 0.00 H new ATOM 0 HD11 LEU p 25 3.482 -6.800 -1.195 1.00 0.00 H new ATOM 0 HD12 LEU p 25 3.459 -5.040 -1.458 1.00 0.00 H new ATOM 0 HD13 LEU p 25 4.845 -6.005 -2.018 1.00 0.00 H new ATOM 0 HD21 LEU p 25 4.924 -7.794 0.526 1.00 0.00 H new ATOM 0 HD22 LEU p 25 6.357 -7.104 -0.273 1.00 0.00 H new ATOM 0 HD23 LEU p 25 6.052 -6.773 1.448 1.00 0.00 H new ATOM 414 N GLU p 26 8.374 -3.919 -1.434 1.00 0.00 N ATOM 415 CA GLU p 26 9.297 -4.025 -2.549 1.00 0.00 C ATOM 416 C GLU p 26 10.674 -4.027 -1.949 1.00 0.00 C ATOM 417 O GLU p 26 11.645 -4.439 -2.563 1.00 0.00 O ATOM 418 CB GLU p 26 9.152 -2.838 -3.485 1.00 0.00 C ATOM 419 CG GLU p 26 7.727 -2.587 -3.916 1.00 0.00 C ATOM 420 CD GLU p 26 7.570 -2.478 -5.420 1.00 0.00 C ATOM 421 OE1 GLU p 26 7.690 -1.353 -5.950 1.00 0.00 O ATOM 422 OE2 GLU p 26 7.329 -3.517 -6.068 1.00 0.00 O ATOM 0 H GLU p 26 8.051 -2.963 -1.286 1.00 0.00 H new ATOM 0 HA GLU p 26 9.101 -4.926 -3.131 1.00 0.00 H new ATOM 0 HB2 GLU p 26 9.537 -1.946 -2.991 1.00 0.00 H new ATOM 0 HB3 GLU p 26 9.768 -3.004 -4.369 1.00 0.00 H new ATOM 0 HG2 GLU p 26 7.095 -3.396 -3.549 1.00 0.00 H new ATOM 0 HG3 GLU p 26 7.370 -1.667 -3.452 1.00 0.00 H new ATOM 429 N LYS p 27 10.692 -3.466 -0.737 1.00 0.00 N ATOM 430 CA LYS p 27 11.871 -3.424 0.132 1.00 0.00 C ATOM 431 C LYS p 27 11.948 -4.737 0.883 1.00 0.00 C ATOM 432 O LYS p 27 13.035 -5.254 1.142 1.00 0.00 O ATOM 433 CB LYS p 27 11.798 -2.261 1.112 1.00 0.00 C ATOM 434 CG LYS p 27 12.853 -1.187 0.892 1.00 0.00 C ATOM 435 CD LYS p 27 14.028 -1.357 1.840 1.00 0.00 C ATOM 436 CE LYS p 27 15.060 -0.257 1.656 1.00 0.00 C ATOM 437 NZ LYS p 27 16.157 -0.352 2.660 1.00 0.00 N ATOM 0 H LYS p 27 9.873 -3.020 -0.325 1.00 0.00 H new ATOM 0 HA LYS p 27 12.764 -3.277 -0.476 1.00 0.00 H new ATOM 0 HB2 LYS p 27 10.811 -1.804 1.041 1.00 0.00 H new ATOM 0 HB3 LYS p 27 11.898 -2.649 2.126 1.00 0.00 H new ATOM 0 HG2 LYS p 27 13.207 -1.229 -0.138 1.00 0.00 H new ATOM 0 HG3 LYS p 27 12.407 -0.203 1.036 1.00 0.00 H new ATOM 0 HD2 LYS p 27 13.669 -1.351 2.869 1.00 0.00 H new ATOM 0 HD3 LYS p 27 14.495 -2.327 1.671 1.00 0.00 H new ATOM 0 HE2 LYS p 27 15.480 -0.317 0.652 1.00 0.00 H new ATOM 0 HE3 LYS p 27 14.574 0.715 1.740 1.00 0.00 H new ATOM 0 HZ1 LYS p 27 16.840 0.416 2.501 1.00 0.00 H new ATOM 0 HZ2 LYS p 27 15.759 -0.269 3.617 1.00 0.00 H new ATOM 0 HZ3 LYS p 27 16.638 -1.269 2.563 1.00 0.00 H new ATOM 451 N GLU p 28 10.761 -5.264 1.236 1.00 0.00 N ATOM 452 CA GLU p 28 10.662 -6.592 1.879 1.00 0.00 C ATOM 453 C GLU p 28 10.943 -7.592 0.795 1.00 0.00 C ATOM 454 O GLU p 28 11.537 -8.653 1.012 1.00 0.00 O ATOM 455 CB GLU p 28 9.280 -6.891 2.467 1.00 0.00 C ATOM 456 CG GLU p 28 8.818 -5.877 3.478 1.00 0.00 C ATOM 457 CD GLU p 28 8.657 -6.453 4.871 1.00 0.00 C ATOM 458 OE1 GLU p 28 7.548 -6.932 5.191 1.00 0.00 O ATOM 459 OE2 GLU p 28 9.638 -6.423 5.643 1.00 0.00 O ATOM 0 H GLU p 28 9.865 -4.799 1.090 1.00 0.00 H new ATOM 0 HA GLU p 28 11.362 -6.632 2.714 1.00 0.00 H new ATOM 0 HB2 GLU p 28 8.553 -6.939 1.656 1.00 0.00 H new ATOM 0 HB3 GLU p 28 9.300 -7.875 2.936 1.00 0.00 H new ATOM 0 HG2 GLU p 28 9.534 -5.055 3.512 1.00 0.00 H new ATOM 0 HG3 GLU p 28 7.866 -5.457 3.153 1.00 0.00 H new ATOM 466 N LEU p 29 10.482 -7.193 -0.389 1.00 0.00 N ATOM 467 CA LEU p 29 10.690 -7.942 -1.615 1.00 0.00 C ATOM 468 C LEU p 29 12.155 -7.857 -2.019 1.00 0.00 C ATOM 469 O LEU p 29 12.781 -8.865 -2.361 1.00 0.00 O ATOM 470 CB LEU p 29 9.822 -7.347 -2.720 1.00 0.00 C ATOM 471 CG LEU p 29 9.223 -8.294 -3.753 1.00 0.00 C ATOM 472 CD1 LEU p 29 8.482 -7.463 -4.776 1.00 0.00 C ATOM 473 CD2 LEU p 29 10.296 -9.134 -4.426 1.00 0.00 C ATOM 0 H LEU p 29 9.950 -6.333 -0.520 1.00 0.00 H new ATOM 0 HA LEU p 29 10.418 -8.986 -1.458 1.00 0.00 H new ATOM 0 HB2 LEU p 29 9.001 -6.809 -2.246 1.00 0.00 H new ATOM 0 HB3 LEU p 29 10.421 -6.609 -3.253 1.00 0.00 H new ATOM 0 HG LEU p 29 8.541 -8.986 -3.259 1.00 0.00 H new ATOM 0 HD11 LEU p 29 8.043 -8.118 -5.528 1.00 0.00 H new ATOM 0 HD12 LEU p 29 7.692 -6.897 -4.282 1.00 0.00 H new ATOM 0 HD13 LEU p 29 9.176 -6.773 -5.256 1.00 0.00 H new ATOM 0 HD21 LEU p 29 9.834 -9.798 -5.156 1.00 0.00 H new ATOM 0 HD22 LEU p 29 11.008 -8.480 -4.930 1.00 0.00 H new ATOM 0 HD23 LEU p 29 10.817 -9.728 -3.675 1.00 0.00 H new ATOM 791 N GLN p 51 4.119 -15.992 -5.319 1.00 0.00 N ATOM 792 CA GLN p 51 3.083 -15.195 -5.980 1.00 0.00 C ATOM 793 C GLN p 51 2.144 -14.565 -4.940 1.00 0.00 C ATOM 794 O GLN p 51 1.334 -13.703 -5.273 1.00 0.00 O ATOM 795 CB GLN p 51 2.288 -16.075 -6.954 1.00 0.00 C ATOM 796 CG GLN p 51 1.737 -15.323 -8.159 1.00 0.00 C ATOM 797 CD GLN p 51 0.960 -16.223 -9.101 1.00 0.00 C ATOM 798 OE1 GLN p 51 1.523 -16.803 -10.029 1.00 0.00 O ATOM 799 NE2 GLN p 51 -0.342 -16.341 -8.866 1.00 0.00 N ATOM 0 HA GLN p 51 3.562 -14.392 -6.540 1.00 0.00 H new ATOM 0 HB2 GLN p 51 2.930 -16.883 -7.305 1.00 0.00 H new ATOM 0 HB3 GLN p 51 1.460 -16.537 -6.417 1.00 0.00 H new ATOM 0 HG2 GLN p 51 1.089 -14.517 -7.815 1.00 0.00 H new ATOM 0 HG3 GLN p 51 2.561 -14.860 -8.702 1.00 0.00 H new ATOM 0 HE21 GLN p 51 -0.767 -15.841 -8.085 1.00 0.00 H new ATOM 0 HE22 GLN p 51 -0.917 -16.931 -9.467 1.00 0.00 H new ATOM 808 N ALA p 52 2.291 -14.997 -3.674 1.00 0.00 N ATOM 809 CA ALA p 52 1.481 -14.512 -2.540 1.00 0.00 C ATOM 810 C ALA p 52 1.706 -13.016 -2.235 1.00 0.00 C ATOM 811 O ALA p 52 0.973 -12.417 -1.452 1.00 0.00 O ATOM 812 CB ALA p 52 1.809 -15.353 -1.307 1.00 0.00 C ATOM 0 H ALA p 52 2.981 -15.699 -3.407 1.00 0.00 H new ATOM 0 HA ALA p 52 0.431 -14.616 -2.813 1.00 0.00 H new ATOM 0 HB1 ALA p 52 1.217 -15.005 -0.461 1.00 0.00 H new ATOM 0 HB2 ALA p 52 1.576 -16.399 -1.507 1.00 0.00 H new ATOM 0 HB3 ALA p 52 2.869 -15.256 -1.072 1.00 0.00 H new ATOM 818 N LEU p 53 2.740 -12.452 -2.858 1.00 0.00 N ATOM 819 CA LEU p 53 3.138 -11.072 -2.709 1.00 0.00 C ATOM 820 C LEU p 53 2.549 -10.243 -3.836 1.00 0.00 C ATOM 821 O LEU p 53 1.717 -9.376 -3.614 1.00 0.00 O ATOM 822 CB LEU p 53 4.665 -11.016 -2.717 1.00 0.00 C ATOM 823 CG LEU p 53 5.297 -9.716 -2.247 1.00 0.00 C ATOM 824 CD1 LEU p 53 6.597 -10.042 -1.570 1.00 0.00 C ATOM 825 CD2 LEU p 53 5.525 -8.780 -3.422 1.00 0.00 C ATOM 0 H LEU p 53 3.338 -12.971 -3.501 1.00 0.00 H new ATOM 0 HA LEU p 53 2.768 -10.660 -1.770 1.00 0.00 H new ATOM 0 HB2 LEU p 53 5.040 -11.824 -2.089 1.00 0.00 H new ATOM 0 HB3 LEU p 53 5.009 -11.215 -3.732 1.00 0.00 H new ATOM 0 HG LEU p 53 4.632 -9.210 -1.547 1.00 0.00 H new ATOM 0 HD11 LEU p 53 7.068 -9.122 -1.224 1.00 0.00 H new ATOM 0 HD12 LEU p 53 6.410 -10.696 -0.718 1.00 0.00 H new ATOM 0 HD13 LEU p 53 7.258 -10.545 -2.275 1.00 0.00 H new ATOM 0 HD21 LEU p 53 5.978 -7.854 -3.067 1.00 0.00 H new ATOM 0 HD22 LEU p 53 6.190 -9.256 -4.143 1.00 0.00 H new ATOM 0 HD23 LEU p 53 4.571 -8.557 -3.900 1.00 0.00 H new ATOM 837 N LYS p 54 3.017 -10.555 -5.050 1.00 0.00 N ATOM 838 CA LYS p 54 2.587 -9.896 -6.305 1.00 0.00 C ATOM 839 C LYS p 54 1.070 -9.981 -6.518 1.00 0.00 C ATOM 840 O LYS p 54 0.510 -9.264 -7.344 1.00 0.00 O ATOM 841 CB LYS p 54 3.312 -10.515 -7.505 1.00 0.00 C ATOM 842 CG LYS p 54 4.780 -10.128 -7.605 1.00 0.00 C ATOM 843 CD LYS p 54 5.444 -10.763 -8.816 1.00 0.00 C ATOM 844 CE LYS p 54 6.907 -10.362 -8.923 1.00 0.00 C ATOM 845 NZ LYS p 54 7.567 -10.977 -10.107 1.00 0.00 N ATOM 0 H LYS p 54 3.716 -11.283 -5.199 1.00 0.00 H new ATOM 0 HA LYS p 54 2.850 -8.842 -6.218 1.00 0.00 H new ATOM 0 HB2 LYS p 54 3.236 -11.601 -7.442 1.00 0.00 H new ATOM 0 HB3 LYS p 54 2.803 -10.212 -8.420 1.00 0.00 H new ATOM 0 HG2 LYS p 54 4.868 -9.043 -7.668 1.00 0.00 H new ATOM 0 HG3 LYS p 54 5.301 -10.438 -6.699 1.00 0.00 H new ATOM 0 HD2 LYS p 54 5.367 -11.848 -8.747 1.00 0.00 H new ATOM 0 HD3 LYS p 54 4.916 -10.463 -9.721 1.00 0.00 H new ATOM 0 HE2 LYS p 54 6.982 -9.277 -8.989 1.00 0.00 H new ATOM 0 HE3 LYS p 54 7.433 -10.663 -8.017 1.00 0.00 H new ATOM 0 HZ1 LYS p 54 8.563 -10.679 -10.143 1.00 0.00 H new ATOM 0 HZ2 LYS p 54 7.519 -12.013 -10.032 1.00 0.00 H new ATOM 0 HZ3 LYS p 54 7.082 -10.669 -10.974 1.00 0.00 H new ATOM 859 N LYS p 55 0.444 -10.881 -5.760 1.00 0.00 N ATOM 860 CA LYS p 55 -0.987 -11.104 -5.769 1.00 0.00 C ATOM 861 C LYS p 55 -1.606 -10.293 -4.653 1.00 0.00 C ATOM 862 O LYS p 55 -2.697 -9.747 -4.802 1.00 0.00 O ATOM 863 CB LYS p 55 -1.303 -12.587 -5.595 1.00 0.00 C ATOM 864 CG LYS p 55 -1.509 -13.332 -6.908 1.00 0.00 C ATOM 865 CD LYS p 55 -2.970 -13.318 -7.346 1.00 0.00 C ATOM 866 CE LYS p 55 -3.173 -14.058 -8.661 1.00 0.00 C ATOM 867 NZ LYS p 55 -2.641 -13.295 -9.827 1.00 0.00 N ATOM 0 H LYS p 55 0.940 -11.488 -5.107 1.00 0.00 H new ATOM 0 HA LYS p 55 -1.402 -10.790 -6.727 1.00 0.00 H new ATOM 0 HB2 LYS p 55 -0.490 -13.060 -5.044 1.00 0.00 H new ATOM 0 HB3 LYS p 55 -2.202 -12.688 -4.986 1.00 0.00 H new ATOM 0 HG2 LYS p 55 -0.893 -12.878 -7.684 1.00 0.00 H new ATOM 0 HG3 LYS p 55 -1.173 -14.363 -6.797 1.00 0.00 H new ATOM 0 HD2 LYS p 55 -3.586 -13.776 -6.572 1.00 0.00 H new ATOM 0 HD3 LYS p 55 -3.308 -12.287 -7.453 1.00 0.00 H new ATOM 0 HE2 LYS p 55 -2.680 -15.029 -8.609 1.00 0.00 H new ATOM 0 HE3 LYS p 55 -4.236 -14.248 -8.808 1.00 0.00 H new ATOM 0 HZ1 LYS p 55 -2.802 -13.838 -10.700 1.00 0.00 H new ATOM 0 HZ2 LYS p 55 -3.129 -12.379 -9.894 1.00 0.00 H new ATOM 0 HZ3 LYS p 55 -1.621 -13.136 -9.701 1.00 0.00 H new ATOM 881 N LYS p 56 -0.873 -10.228 -3.528 1.00 0.00 N ATOM 882 CA LYS p 56 -1.294 -9.420 -2.362 1.00 0.00 C ATOM 883 C LYS p 56 -0.976 -7.940 -2.625 1.00 0.00 C ATOM 884 O LYS p 56 -1.417 -7.041 -1.909 1.00 0.00 O ATOM 885 CB LYS p 56 -0.603 -9.889 -1.085 1.00 0.00 C ATOM 886 CG LYS p 56 -1.381 -10.963 -0.330 1.00 0.00 C ATOM 887 CD LYS p 56 -2.361 -10.359 0.670 1.00 0.00 C ATOM 888 CE LYS p 56 -3.185 -11.431 1.370 1.00 0.00 C ATOM 889 NZ LYS p 56 -2.385 -12.194 2.369 1.00 0.00 N ATOM 0 H LYS p 56 0.010 -10.721 -3.398 1.00 0.00 H new ATOM 0 HA LYS p 56 -2.368 -9.545 -2.223 1.00 0.00 H new ATOM 0 HB2 LYS p 56 0.384 -10.276 -1.337 1.00 0.00 H new ATOM 0 HB3 LYS p 56 -0.451 -9.033 -0.428 1.00 0.00 H new ATOM 0 HG2 LYS p 56 -1.925 -11.584 -1.041 1.00 0.00 H new ATOM 0 HG3 LYS p 56 -0.683 -11.615 0.195 1.00 0.00 H new ATOM 0 HD2 LYS p 56 -1.812 -9.779 1.412 1.00 0.00 H new ATOM 0 HD3 LYS p 56 -3.027 -9.667 0.154 1.00 0.00 H new ATOM 0 HE2 LYS p 56 -4.036 -10.966 1.868 1.00 0.00 H new ATOM 0 HE3 LYS p 56 -3.588 -12.120 0.627 1.00 0.00 H new ATOM 0 HZ1 LYS p 56 -2.987 -12.912 2.820 1.00 0.00 H new ATOM 0 HZ2 LYS p 56 -1.587 -12.661 1.892 1.00 0.00 H new ATOM 0 HZ3 LYS p 56 -2.022 -11.542 3.093 1.00 0.00 H new ATOM 903 N LEU p 57 -0.185 -7.755 -3.681 1.00 0.00 N ATOM 904 CA LEU p 57 0.277 -6.495 -4.203 1.00 0.00 C ATOM 905 C LEU p 57 -0.705 -6.088 -5.271 1.00 0.00 C ATOM 906 O LEU p 57 -1.127 -4.935 -5.357 1.00 0.00 O ATOM 907 CB LEU p 57 1.662 -6.707 -4.813 1.00 0.00 C ATOM 908 CG LEU p 57 2.590 -5.507 -4.902 1.00 0.00 C ATOM 909 CD1 LEU p 57 3.975 -6.025 -5.180 1.00 0.00 C ATOM 910 CD2 LEU p 57 2.161 -4.560 -6.008 1.00 0.00 C ATOM 0 H LEU p 57 0.167 -8.544 -4.223 1.00 0.00 H new ATOM 0 HA LEU p 57 0.345 -5.727 -3.433 1.00 0.00 H new ATOM 0 HB2 LEU p 57 2.168 -7.479 -4.234 1.00 0.00 H new ATOM 0 HB3 LEU p 57 1.527 -7.101 -5.820 1.00 0.00 H new ATOM 0 HG LEU p 57 2.560 -4.949 -3.966 1.00 0.00 H new ATOM 0 HD11 LEU p 57 4.669 -5.188 -5.250 1.00 0.00 H new ATOM 0 HD12 LEU p 57 4.285 -6.687 -4.371 1.00 0.00 H new ATOM 0 HD13 LEU p 57 3.975 -6.577 -6.120 1.00 0.00 H new ATOM 0 HD21 LEU p 57 2.845 -3.712 -6.046 1.00 0.00 H new ATOM 0 HD22 LEU p 57 2.179 -5.084 -6.963 1.00 0.00 H new ATOM 0 HD23 LEU p 57 1.150 -4.203 -5.810 1.00 0.00 H new ATOM 922 N ALA p 58 -1.037 -7.091 -6.102 1.00 0.00 N ATOM 923 CA ALA p 58 -2.047 -6.934 -7.170 1.00 0.00 C ATOM 924 C ALA p 58 -3.435 -6.732 -6.553 1.00 0.00 C ATOM 925 O ALA p 58 -4.368 -6.264 -7.212 1.00 0.00 O ATOM 926 CB ALA p 58 -2.058 -8.135 -8.103 1.00 0.00 C ATOM 0 H ALA p 58 -0.621 -8.021 -6.057 1.00 0.00 H new ATOM 0 HA ALA p 58 -1.783 -6.055 -7.758 1.00 0.00 H new ATOM 0 HB1 ALA p 58 -2.812 -7.988 -8.877 1.00 0.00 H new ATOM 0 HB2 ALA p 58 -1.078 -8.244 -8.567 1.00 0.00 H new ATOM 0 HB3 ALA p 58 -2.293 -9.035 -7.535 1.00 0.00 H new ATOM 932 N GLN p 59 -3.532 -7.104 -5.270 1.00 0.00 N ATOM 933 CA GLN p 59 -4.720 -6.965 -4.469 1.00 0.00 C ATOM 934 C GLN p 59 -4.639 -5.640 -3.712 1.00 0.00 C ATOM 935 O GLN p 59 -5.650 -5.069 -3.339 1.00 0.00 O ATOM 936 CB GLN p 59 -4.780 -8.157 -3.510 1.00 0.00 C ATOM 937 CG GLN p 59 -5.654 -7.952 -2.296 1.00 0.00 C ATOM 938 CD GLN p 59 -6.718 -9.020 -2.140 1.00 0.00 C ATOM 939 OE1 GLN p 59 -7.829 -8.885 -2.651 1.00 0.00 O ATOM 940 NE2 GLN p 59 -6.382 -10.090 -1.428 1.00 0.00 N ATOM 0 H GLN p 59 -2.753 -7.521 -4.760 1.00 0.00 H new ATOM 0 HA GLN p 59 -5.624 -6.956 -5.078 1.00 0.00 H new ATOM 0 HB2 GLN p 59 -5.142 -9.027 -4.057 1.00 0.00 H new ATOM 0 HB3 GLN p 59 -3.768 -8.388 -3.177 1.00 0.00 H new ATOM 0 HG2 GLN p 59 -5.028 -7.939 -1.404 1.00 0.00 H new ATOM 0 HG3 GLN p 59 -6.135 -6.976 -2.363 1.00 0.00 H new ATOM 0 HE21 GLN p 59 -5.449 -10.160 -1.022 1.00 0.00 H new ATOM 0 HE22 GLN p 59 -7.057 -10.841 -1.287 1.00 0.00 H new ATOM 949 N LEU p 60 -3.397 -5.203 -3.499 1.00 0.00 N ATOM 950 CA LEU p 60 -3.068 -3.946 -2.819 1.00 0.00 C ATOM 951 C LEU p 60 -3.077 -2.796 -3.835 1.00 0.00 C ATOM 952 O LEU p 60 -3.049 -1.622 -3.478 1.00 0.00 O ATOM 953 CB LEU p 60 -1.686 -4.071 -2.145 1.00 0.00 C ATOM 954 CG LEU p 60 -1.245 -2.925 -1.209 1.00 0.00 C ATOM 955 CD1 LEU p 60 -0.392 -1.935 -1.979 1.00 0.00 C ATOM 956 CD2 LEU p 60 -2.444 -2.224 -0.587 1.00 0.00 C ATOM 0 H LEU p 60 -2.573 -5.723 -3.800 1.00 0.00 H new ATOM 0 HA LEU p 60 -3.811 -3.735 -2.050 1.00 0.00 H new ATOM 0 HB2 LEU p 60 -1.674 -4.998 -1.571 1.00 0.00 H new ATOM 0 HB3 LEU p 60 -0.936 -4.172 -2.930 1.00 0.00 H new ATOM 0 HG LEU p 60 -0.656 -3.352 -0.397 1.00 0.00 H new ATOM 0 HD11 LEU p 60 -0.083 -1.128 -1.315 1.00 0.00 H new ATOM 0 HD12 LEU p 60 0.490 -2.442 -2.370 1.00 0.00 H new ATOM 0 HD13 LEU p 60 -0.970 -1.523 -2.806 1.00 0.00 H new ATOM 0 HD21 LEU p 60 -2.098 -1.423 0.066 1.00 0.00 H new ATOM 0 HD22 LEU p 60 -3.070 -1.805 -1.375 1.00 0.00 H new ATOM 0 HD23 LEU p 60 -3.024 -2.941 -0.006 1.00 0.00 H new ATOM 968 N LYS p 61 -3.095 -3.207 -5.091 1.00 0.00 N ATOM 969 CA LYS p 61 -3.145 -2.360 -6.270 1.00 0.00 C ATOM 970 C LYS p 61 -4.600 -2.254 -6.663 1.00 0.00 C ATOM 971 O LYS p 61 -5.063 -1.251 -7.211 1.00 0.00 O ATOM 972 CB LYS p 61 -2.318 -2.991 -7.391 1.00 0.00 C ATOM 973 CG LYS p 61 -0.948 -2.358 -7.582 1.00 0.00 C ATOM 974 CD LYS p 61 -0.980 -1.241 -8.616 1.00 0.00 C ATOM 975 CE LYS p 61 0.396 -0.626 -8.819 1.00 0.00 C ATOM 976 NZ LYS p 61 0.358 0.518 -9.771 1.00 0.00 N ATOM 0 H LYS p 61 -3.074 -4.199 -5.329 1.00 0.00 H new ATOM 0 HA LYS p 61 -2.730 -1.371 -6.076 1.00 0.00 H new ATOM 0 HB2 LYS p 61 -2.190 -4.053 -7.180 1.00 0.00 H new ATOM 0 HB3 LYS p 61 -2.875 -2.916 -8.325 1.00 0.00 H new ATOM 0 HG2 LYS p 61 -0.595 -1.962 -6.630 1.00 0.00 H new ATOM 0 HG3 LYS p 61 -0.235 -3.121 -7.894 1.00 0.00 H new ATOM 0 HD2 LYS p 61 -1.347 -1.633 -9.564 1.00 0.00 H new ATOM 0 HD3 LYS p 61 -1.681 -0.469 -8.297 1.00 0.00 H new ATOM 0 HE2 LYS p 61 0.787 -0.287 -7.860 1.00 0.00 H new ATOM 0 HE3 LYS p 61 1.082 -1.386 -9.192 1.00 0.00 H new ATOM 0 HZ1 LYS p 61 1.315 0.909 -9.882 1.00 0.00 H new ATOM 0 HZ2 LYS p 61 0.009 0.190 -10.694 1.00 0.00 H new ATOM 0 HZ3 LYS p 61 -0.277 1.255 -9.403 1.00 0.00 H new ATOM 990 N TRP p 62 -5.299 -3.353 -6.350 1.00 0.00 N ATOM 991 CA TRP p 62 -6.731 -3.480 -6.542 1.00 0.00 C ATOM 992 C TRP p 62 -7.403 -2.817 -5.359 1.00 0.00 C ATOM 993 O TRP p 62 -8.495 -2.262 -5.477 1.00 0.00 O ATOM 994 CB TRP p 62 -7.142 -4.947 -6.639 1.00 0.00 C ATOM 995 CG TRP p 62 -8.108 -5.221 -7.756 1.00 0.00 C ATOM 996 CD1 TRP p 62 -9.467 -5.293 -7.657 1.00 0.00 C ATOM 997 CD2 TRP p 62 -7.793 -5.458 -9.139 1.00 0.00 C ATOM 998 NE1 TRP p 62 -10.017 -5.559 -8.888 1.00 0.00 N ATOM 999 CE2 TRP p 62 -9.012 -5.664 -9.813 1.00 0.00 C ATOM 1000 CE3 TRP p 62 -6.601 -5.515 -9.875 1.00 0.00 C ATOM 1001 CZ2 TRP p 62 -9.075 -5.923 -11.179 1.00 0.00 C ATOM 1002 CZ3 TRP p 62 -6.667 -5.772 -11.231 1.00 0.00 C ATOM 1003 CH2 TRP p 62 -7.896 -5.971 -11.871 1.00 0.00 C ATOM 0 H TRP p 62 -4.869 -4.187 -5.950 1.00 0.00 H new ATOM 0 HA TRP p 62 -7.032 -3.003 -7.475 1.00 0.00 H new ATOM 0 HB2 TRP p 62 -6.251 -5.558 -6.781 1.00 0.00 H new ATOM 0 HB3 TRP p 62 -7.592 -5.254 -5.695 1.00 0.00 H new ATOM 0 HD1 TRP p 62 -10.029 -5.160 -6.744 1.00 0.00 H new ATOM 0 HE1 TRP p 62 -11.013 -5.662 -9.082 1.00 0.00 H new ATOM 0 HE3 TRP p 62 -5.648 -5.361 -9.391 1.00 0.00 H new ATOM 0 HZ2 TRP p 62 -10.021 -6.081 -11.675 1.00 0.00 H new ATOM 0 HZ3 TRP p 62 -5.755 -5.820 -11.807 1.00 0.00 H new ATOM 0 HH2 TRP p 62 -7.914 -6.166 -12.933 1.00 0.00 H new ATOM 1014 N LYS p 63 -6.710 -2.899 -4.210 1.00 0.00 N ATOM 1015 CA LYS p 63 -7.164 -2.240 -2.975 1.00 0.00 C ATOM 1016 C LYS p 63 -6.714 -0.774 -2.974 1.00 0.00 C ATOM 1017 O LYS p 63 -7.177 0.028 -2.167 1.00 0.00 O ATOM 1018 CB LYS p 63 -6.640 -2.948 -1.728 1.00 0.00 C ATOM 1019 CG LYS p 63 -7.539 -4.075 -1.246 1.00 0.00 C ATOM 1020 CD LYS p 63 -7.113 -4.585 0.120 1.00 0.00 C ATOM 1021 CE LYS p 63 -8.002 -5.725 0.591 1.00 0.00 C ATOM 1022 NZ LYS p 63 -7.599 -6.225 1.935 1.00 0.00 N ATOM 0 H LYS p 63 -5.835 -3.414 -4.112 1.00 0.00 H new ATOM 0 HA LYS p 63 -8.253 -2.291 -2.950 1.00 0.00 H new ATOM 0 HB2 LYS p 63 -5.649 -3.350 -1.938 1.00 0.00 H new ATOM 0 HB3 LYS p 63 -6.525 -2.218 -0.927 1.00 0.00 H new ATOM 0 HG2 LYS p 63 -8.570 -3.724 -1.199 1.00 0.00 H new ATOM 0 HG3 LYS p 63 -7.514 -4.894 -1.965 1.00 0.00 H new ATOM 0 HD2 LYS p 63 -6.078 -4.924 0.077 1.00 0.00 H new ATOM 0 HD3 LYS p 63 -7.152 -3.770 0.842 1.00 0.00 H new ATOM 0 HE2 LYS p 63 -9.038 -5.387 0.625 1.00 0.00 H new ATOM 0 HE3 LYS p 63 -7.956 -6.542 -0.129 1.00 0.00 H new ATOM 0 HZ1 LYS p 63 -8.229 -7.001 2.220 1.00 0.00 H new ATOM 0 HZ2 LYS p 63 -6.619 -6.571 1.897 1.00 0.00 H new ATOM 0 HZ3 LYS p 63 -7.667 -5.452 2.628 1.00 0.00 H new ATOM 1036 N LEU p 64 -5.786 -0.471 -3.895 1.00 0.00 N ATOM 1037 CA LEU p 64 -5.215 0.859 -4.106 1.00 0.00 C ATOM 1038 C LEU p 64 -6.139 1.678 -4.995 1.00 0.00 C ATOM 1039 O LEU p 64 -6.306 2.874 -4.823 1.00 0.00 O ATOM 1040 CB LEU p 64 -3.856 0.677 -4.791 1.00 0.00 C ATOM 1041 CG LEU p 64 -2.810 1.792 -4.696 1.00 0.00 C ATOM 1042 CD1 LEU p 64 -1.598 1.346 -5.476 1.00 0.00 C ATOM 1043 CD2 LEU p 64 -3.320 3.112 -5.252 1.00 0.00 C ATOM 0 H LEU p 64 -5.403 -1.170 -4.531 1.00 0.00 H new ATOM 0 HA LEU p 64 -5.096 1.383 -3.157 1.00 0.00 H new ATOM 0 HB2 LEU p 64 -3.405 -0.230 -4.387 1.00 0.00 H new ATOM 0 HB3 LEU p 64 -4.045 0.495 -5.849 1.00 0.00 H new ATOM 0 HG LEU p 64 -2.571 1.965 -3.647 1.00 0.00 H new ATOM 0 HD11 LEU p 64 -0.831 2.119 -5.429 1.00 0.00 H new ATOM 0 HD12 LEU p 64 -1.209 0.422 -5.047 1.00 0.00 H new ATOM 0 HD13 LEU p 64 -1.877 1.174 -6.516 1.00 0.00 H new ATOM 0 HD21 LEU p 64 -2.542 3.870 -5.162 1.00 0.00 H new ATOM 0 HD22 LEU p 64 -3.584 2.987 -6.302 1.00 0.00 H new ATOM 0 HD23 LEU p 64 -4.200 3.427 -4.691 1.00 0.00 H new ATOM 1055 N GLN p 65 -6.667 0.965 -5.967 1.00 0.00 N ATOM 1056 CA GLN p 65 -7.627 1.419 -6.945 1.00 0.00 C ATOM 1057 C GLN p 65 -8.992 1.457 -6.264 1.00 0.00 C ATOM 1058 O GLN p 65 -9.932 2.089 -6.731 1.00 0.00 O ATOM 1059 CB GLN p 65 -7.590 0.416 -8.107 1.00 0.00 C ATOM 1060 CG GLN p 65 -8.873 0.313 -8.901 1.00 0.00 C ATOM 1061 CD GLN p 65 -8.651 0.349 -10.400 1.00 0.00 C ATOM 1062 OE1 GLN p 65 -8.472 -0.689 -11.038 1.00 0.00 O ATOM 1063 NE2 GLN p 65 -8.662 1.548 -10.972 1.00 0.00 N ATOM 0 H GLN p 65 -6.418 -0.015 -6.102 1.00 0.00 H new ATOM 0 HA GLN p 65 -7.410 2.414 -7.332 1.00 0.00 H new ATOM 0 HB2 GLN p 65 -6.783 0.696 -8.784 1.00 0.00 H new ATOM 0 HB3 GLN p 65 -7.346 -0.569 -7.710 1.00 0.00 H new ATOM 0 HG2 GLN p 65 -9.382 -0.614 -8.638 1.00 0.00 H new ATOM 0 HG3 GLN p 65 -9.535 1.132 -8.618 1.00 0.00 H new ATOM 0 HE21 GLN p 65 -8.814 2.382 -10.405 1.00 0.00 H new ATOM 0 HE22 GLN p 65 -8.519 1.634 -11.978 1.00 0.00 H new ATOM 1072 N ALA p 66 -9.024 0.744 -5.142 1.00 0.00 N ATOM 1073 CA ALA p 66 -10.181 0.629 -4.261 1.00 0.00 C ATOM 1074 C ALA p 66 -10.042 1.669 -3.174 1.00 0.00 C ATOM 1075 O ALA p 66 -11.023 2.090 -2.568 1.00 0.00 O ATOM 1076 CB ALA p 66 -10.298 -0.761 -3.655 1.00 0.00 C ATOM 0 H ALA p 66 -8.219 0.213 -4.810 1.00 0.00 H new ATOM 0 HA ALA p 66 -11.090 0.794 -4.839 1.00 0.00 H new ATOM 0 HB1 ALA p 66 -11.173 -0.803 -3.006 1.00 0.00 H new ATOM 0 HB2 ALA p 66 -10.402 -1.498 -4.452 1.00 0.00 H new ATOM 0 HB3 ALA p 66 -9.403 -0.980 -3.072 1.00 0.00 H new ATOM 1082 N LEU p 67 -8.774 2.055 -2.947 1.00 0.00 N ATOM 1083 CA LEU p 67 -8.402 3.091 -2.011 1.00 0.00 C ATOM 1084 C LEU p 67 -8.532 4.404 -2.760 1.00 0.00 C ATOM 1085 O LEU p 67 -8.933 5.416 -2.205 1.00 0.00 O ATOM 1086 CB LEU p 67 -6.960 2.863 -1.501 1.00 0.00 C ATOM 1087 CG LEU p 67 -5.895 3.882 -1.955 1.00 0.00 C ATOM 1088 CD1 LEU p 67 -5.990 5.160 -1.152 1.00 0.00 C ATOM 1089 CD2 LEU p 67 -4.504 3.307 -1.870 1.00 0.00 C ATOM 0 H LEU p 67 -7.976 1.638 -3.426 1.00 0.00 H new ATOM 0 HA LEU p 67 -9.042 3.090 -1.129 1.00 0.00 H new ATOM 0 HB2 LEU p 67 -6.982 2.856 -0.411 1.00 0.00 H new ATOM 0 HB3 LEU p 67 -6.639 1.871 -1.820 1.00 0.00 H new ATOM 0 HG LEU p 67 -6.096 4.116 -3.001 1.00 0.00 H new ATOM 0 HD11 LEU p 67 -5.228 5.861 -1.492 1.00 0.00 H new ATOM 0 HD12 LEU p 67 -6.977 5.603 -1.288 1.00 0.00 H new ATOM 0 HD13 LEU p 67 -5.834 4.939 -0.096 1.00 0.00 H new ATOM 0 HD21 LEU p 67 -3.781 4.054 -2.198 1.00 0.00 H new ATOM 0 HD22 LEU p 67 -4.290 3.023 -0.840 1.00 0.00 H new ATOM 0 HD23 LEU p 67 -4.434 2.428 -2.511 1.00 0.00 H new ATOM 1101 N LYS p 68 -8.106 4.336 -4.027 1.00 0.00 N ATOM 1102 CA LYS p 68 -8.195 5.444 -4.977 1.00 0.00 C ATOM 1103 C LYS p 68 -9.640 5.618 -5.379 1.00 0.00 C ATOM 1104 O LYS p 68 -10.059 6.714 -5.737 1.00 0.00 O ATOM 1105 CB LYS p 68 -7.316 5.227 -6.207 1.00 0.00 C ATOM 1106 CG LYS p 68 -5.892 5.723 -6.030 1.00 0.00 C ATOM 1107 CD LYS p 68 -5.069 5.518 -7.291 1.00 0.00 C ATOM 1108 CE LYS p 68 -3.665 6.080 -7.137 1.00 0.00 C ATOM 1109 NZ LYS p 68 -2.854 5.898 -8.371 1.00 0.00 N ATOM 0 H LYS p 68 -7.684 3.496 -4.424 1.00 0.00 H new ATOM 0 HA LYS p 68 -7.826 6.347 -4.491 1.00 0.00 H new ATOM 0 HB2 LYS p 68 -7.295 4.164 -6.445 1.00 0.00 H new ATOM 0 HB3 LYS p 68 -7.766 5.736 -7.059 1.00 0.00 H new ATOM 0 HG2 LYS p 68 -5.904 6.782 -5.771 1.00 0.00 H new ATOM 0 HG3 LYS p 68 -5.423 5.196 -5.199 1.00 0.00 H new ATOM 0 HD2 LYS p 68 -5.013 4.454 -7.521 1.00 0.00 H new ATOM 0 HD3 LYS p 68 -5.565 6.001 -8.133 1.00 0.00 H new ATOM 0 HE2 LYS p 68 -3.724 7.141 -6.895 1.00 0.00 H new ATOM 0 HE3 LYS p 68 -3.168 5.589 -6.300 1.00 0.00 H new ATOM 0 HZ1 LYS p 68 -1.904 6.295 -8.224 1.00 0.00 H new ATOM 0 HZ2 LYS p 68 -2.776 4.884 -8.589 1.00 0.00 H new ATOM 0 HZ3 LYS p 68 -3.315 6.388 -9.164 1.00 0.00 H new ATOM 1123 N LYS p 69 -10.385 4.497 -5.341 1.00 0.00 N ATOM 1124 CA LYS p 69 -11.825 4.521 -5.574 1.00 0.00 C ATOM 1125 C LYS p 69 -12.487 4.927 -4.264 1.00 0.00 C ATOM 1126 O LYS p 69 -13.650 5.325 -4.229 1.00 0.00 O ATOM 1127 CB LYS p 69 -12.348 3.166 -6.031 1.00 0.00 C ATOM 1128 CG LYS p 69 -12.698 3.111 -7.507 1.00 0.00 C ATOM 1129 CD LYS p 69 -13.777 2.077 -7.787 1.00 0.00 C ATOM 1130 CE LYS p 69 -14.133 2.029 -9.263 1.00 0.00 C ATOM 1131 NZ LYS p 69 -15.193 1.023 -9.547 1.00 0.00 N ATOM 0 H LYS p 69 -10.006 3.569 -5.151 1.00 0.00 H new ATOM 0 HA LYS p 69 -12.056 5.229 -6.370 1.00 0.00 H new ATOM 0 HB2 LYS p 69 -11.597 2.406 -5.817 1.00 0.00 H new ATOM 0 HB3 LYS p 69 -13.233 2.913 -5.447 1.00 0.00 H new ATOM 0 HG2 LYS p 69 -13.039 4.092 -7.838 1.00 0.00 H new ATOM 0 HG3 LYS p 69 -11.805 2.872 -8.085 1.00 0.00 H new ATOM 0 HD2 LYS p 69 -13.434 1.095 -7.462 1.00 0.00 H new ATOM 0 HD3 LYS p 69 -14.668 2.312 -7.204 1.00 0.00 H new ATOM 0 HE2 LYS p 69 -14.471 3.013 -9.587 1.00 0.00 H new ATOM 0 HE3 LYS p 69 -13.242 1.791 -9.844 1.00 0.00 H new ATOM 0 HZ1 LYS p 69 -15.407 1.022 -10.565 1.00 0.00 H new ATOM 0 HZ2 LYS p 69 -14.861 0.079 -9.262 1.00 0.00 H new ATOM 0 HZ3 LYS p 69 -16.052 1.264 -9.013 1.00 0.00 H new ATOM 1145 N LYS p 70 -11.687 4.793 -3.190 1.00 0.00 N ATOM 1146 CA LYS p 70 -12.061 5.186 -1.839 1.00 0.00 C ATOM 1147 C LYS p 70 -11.589 6.614 -1.622 1.00 0.00 C ATOM 1148 O LYS p 70 -12.085 7.326 -0.753 1.00 0.00 O ATOM 1149 CB LYS p 70 -11.431 4.264 -0.801 1.00 0.00 C ATOM 1150 CG LYS p 70 -12.431 3.432 -0.011 1.00 0.00 C ATOM 1151 CD LYS p 70 -12.457 3.835 1.457 1.00 0.00 C ATOM 1152 CE LYS p 70 -13.463 3.014 2.251 1.00 0.00 C ATOM 1153 NZ LYS p 70 -14.870 3.407 1.952 1.00 0.00 N ATOM 0 H LYS p 70 -10.747 4.400 -3.249 1.00 0.00 H new ATOM 0 HA LYS p 70 -13.143 5.114 -1.724 1.00 0.00 H new ATOM 0 HB2 LYS p 70 -10.735 3.593 -1.304 1.00 0.00 H new ATOM 0 HB3 LYS p 70 -10.847 4.866 -0.105 1.00 0.00 H new ATOM 0 HG2 LYS p 70 -13.426 3.553 -0.440 1.00 0.00 H new ATOM 0 HG3 LYS p 70 -12.174 2.376 -0.095 1.00 0.00 H new ATOM 0 HD2 LYS p 70 -11.463 3.707 1.887 1.00 0.00 H new ATOM 0 HD3 LYS p 70 -12.706 4.893 1.539 1.00 0.00 H new ATOM 0 HE2 LYS p 70 -13.327 1.957 2.024 1.00 0.00 H new ATOM 0 HE3 LYS p 70 -13.271 3.139 3.317 1.00 0.00 H new ATOM 0 HZ1 LYS p 70 -15.507 2.975 2.651 1.00 0.00 H new ATOM 0 HZ2 LYS p 70 -14.958 4.442 1.997 1.00 0.00 H new ATOM 0 HZ3 LYS p 70 -15.127 3.078 0.999 1.00 0.00 H new ATOM 1167 N ASN p 71 -10.580 6.983 -2.433 1.00 0.00 N ATOM 1168 CA ASN p 71 -10.004 8.330 -2.459 1.00 0.00 C ATOM 1169 C ASN p 71 -10.787 9.150 -3.480 1.00 0.00 C ATOM 1170 O ASN p 71 -10.696 10.373 -3.524 1.00 0.00 O ATOM 1171 CB ASN p 71 -8.518 8.300 -2.830 1.00 0.00 C ATOM 1172 CG ASN p 71 -7.746 9.460 -2.231 1.00 0.00 C ATOM 1173 OD1 ASN p 71 -7.675 10.566 -2.963 1.00 0.00 O flip ATOM 1174 ND2 ASN p 71 -7.218 9.363 -1.122 1.00 0.00 N flip ATOM 0 H ASN p 71 -10.140 6.343 -3.094 1.00 0.00 H new ATOM 0 HA ASN p 71 -10.075 8.776 -1.467 1.00 0.00 H new ATOM 0 HB2 ASN p 71 -8.081 7.362 -2.489 1.00 0.00 H new ATOM 0 HB3 ASN p 71 -8.417 8.322 -3.915 1.00 0.00 H new ATOM 0 HD21 ASN p 71 -7.298 8.494 -0.594 1.00 0.00 H new ATOM 0 HD22 ASN p 71 -6.701 10.151 -0.732 1.00 0.00 H new ATOM 1181 N ALA p 72 -11.530 8.403 -4.311 1.00 0.00 N ATOM 1182 CA ALA p 72 -12.431 8.927 -5.329 1.00 0.00 C ATOM 1183 C ALA p 72 -13.786 9.013 -4.676 1.00 0.00 C ATOM 1184 O ALA p 72 -14.671 9.737 -5.121 1.00 0.00 O ATOM 1185 CB ALA p 72 -12.488 8.033 -6.560 1.00 0.00 C ATOM 0 H ALA p 72 -11.514 7.383 -4.285 1.00 0.00 H new ATOM 0 HA ALA p 72 -12.084 9.898 -5.682 1.00 0.00 H new ATOM 0 HB1 ALA p 72 -13.172 8.464 -7.291 1.00 0.00 H new ATOM 0 HB2 ALA p 72 -11.493 7.952 -6.997 1.00 0.00 H new ATOM 0 HB3 ALA p 72 -12.840 7.042 -6.274 1.00 0.00 H new ATOM 1191 N GLN p 73 -13.902 8.206 -3.605 1.00 0.00 N ATOM 1192 CA GLN p 73 -15.036 8.135 -2.741 1.00 0.00 C ATOM 1193 C GLN p 73 -14.869 9.243 -1.728 1.00 0.00 C ATOM 1194 O GLN p 73 -15.824 9.842 -1.255 1.00 0.00 O ATOM 1195 CB GLN p 73 -14.974 6.793 -2.060 1.00 0.00 C ATOM 1196 CG GLN p 73 -16.129 6.510 -1.168 1.00 0.00 C ATOM 1197 CD GLN p 73 -16.992 5.358 -1.642 1.00 0.00 C ATOM 1198 OE1 GLN p 73 -17.948 5.550 -2.395 1.00 0.00 O ATOM 1199 NE2 GLN p 73 -16.660 4.149 -1.202 1.00 0.00 N ATOM 0 H GLN p 73 -13.158 7.566 -3.328 1.00 0.00 H new ATOM 0 HA GLN p 73 -15.988 8.243 -3.261 1.00 0.00 H new ATOM 0 HB2 GLN p 73 -14.917 6.014 -2.820 1.00 0.00 H new ATOM 0 HB3 GLN p 73 -14.055 6.736 -1.476 1.00 0.00 H new ATOM 0 HG2 GLN p 73 -15.759 6.288 -0.167 1.00 0.00 H new ATOM 0 HG3 GLN p 73 -16.745 7.406 -1.089 1.00 0.00 H new ATOM 0 HE21 GLN p 73 -15.860 4.035 -0.579 1.00 0.00 H new ATOM 0 HE22 GLN p 73 -17.205 3.335 -1.487 1.00 0.00 H new ATOM 1208 N LEU p 74 -13.593 9.420 -1.393 1.00 0.00 N ATOM 1209 CA LEU p 74 -13.108 10.466 -0.504 1.00 0.00 C ATOM 1210 C LEU p 74 -13.116 11.772 -1.270 1.00 0.00 C ATOM 1211 O LEU p 74 -13.327 12.820 -0.712 1.00 0.00 O ATOM 1212 CB LEU p 74 -11.689 10.144 -0.032 1.00 0.00 C ATOM 1213 CG LEU p 74 -11.154 10.933 1.170 1.00 0.00 C ATOM 1214 CD1 LEU p 74 -11.785 10.469 2.478 1.00 0.00 C ATOM 1215 CD2 LEU p 74 -9.649 10.778 1.217 1.00 0.00 C ATOM 0 H LEU p 74 -12.847 8.820 -1.745 1.00 0.00 H new ATOM 0 HA LEU p 74 -13.749 10.538 0.375 1.00 0.00 H new ATOM 0 HB2 LEU p 74 -11.648 9.083 0.215 1.00 0.00 H new ATOM 0 HB3 LEU p 74 -11.010 10.303 -0.870 1.00 0.00 H new ATOM 0 HG LEU p 74 -11.418 11.984 1.050 1.00 0.00 H new ATOM 0 HD11 LEU p 74 -11.380 11.052 3.305 1.00 0.00 H new ATOM 0 HD12 LEU p 74 -12.865 10.609 2.431 1.00 0.00 H new ATOM 0 HD13 LEU p 74 -11.562 9.414 2.635 1.00 0.00 H new ATOM 0 HD21 LEU p 74 -9.252 11.334 2.067 1.00 0.00 H new ATOM 0 HD22 LEU p 74 -9.395 9.723 1.323 1.00 0.00 H new ATOM 0 HD23 LEU p 74 -9.214 11.165 0.296 1.00 0.00 H new ATOM 1227 N LYS p 75 -12.914 11.655 -2.577 1.00 0.00 N ATOM 1228 CA LYS p 75 -12.941 12.787 -3.499 1.00 0.00 C ATOM 1229 C LYS p 75 -14.387 13.034 -3.839 1.00 0.00 C ATOM 1230 O LYS p 75 -14.779 14.112 -4.293 1.00 0.00 O ATOM 1231 CB LYS p 75 -12.141 12.490 -4.760 1.00 0.00 C ATOM 1232 CG LYS p 75 -10.971 13.431 -4.998 1.00 0.00 C ATOM 1233 CD LYS p 75 -11.219 14.341 -6.190 1.00 0.00 C ATOM 1234 CE LYS p 75 -10.043 15.273 -6.432 1.00 0.00 C ATOM 1235 NZ LYS p 75 -10.273 16.164 -7.603 1.00 0.00 N ATOM 0 H LYS p 75 -12.725 10.762 -3.033 1.00 0.00 H new ATOM 0 HA LYS p 75 -12.488 13.665 -3.039 1.00 0.00 H new ATOM 0 HB2 LYS p 75 -11.764 11.469 -4.705 1.00 0.00 H new ATOM 0 HB3 LYS p 75 -12.810 12.537 -5.619 1.00 0.00 H new ATOM 0 HG2 LYS p 75 -10.802 14.035 -4.107 1.00 0.00 H new ATOM 0 HG3 LYS p 75 -10.064 12.850 -5.165 1.00 0.00 H new ATOM 0 HD2 LYS p 75 -11.395 13.737 -7.080 1.00 0.00 H new ATOM 0 HD3 LYS p 75 -12.121 14.928 -6.020 1.00 0.00 H new ATOM 0 HE2 LYS p 75 -9.871 15.879 -5.543 1.00 0.00 H new ATOM 0 HE3 LYS p 75 -9.141 14.684 -6.596 1.00 0.00 H new ATOM 0 HZ1 LYS p 75 -9.448 16.784 -7.735 1.00 0.00 H new ATOM 0 HZ2 LYS p 75 -10.412 15.586 -8.457 1.00 0.00 H new ATOM 0 HZ3 LYS p 75 -11.120 16.745 -7.436 1.00 0.00 H new ATOM 1249 N LYS p 76 -15.168 11.973 -3.599 1.00 0.00 N ATOM 1250 CA LYS p 76 -16.613 12.008 -3.773 1.00 0.00 C ATOM 1251 C LYS p 76 -17.217 12.486 -2.474 1.00 0.00 C ATOM 1252 O LYS p 76 -18.269 13.132 -2.455 1.00 0.00 O ATOM 1253 CB LYS p 76 -17.161 10.636 -4.138 1.00 0.00 C ATOM 1254 CG LYS p 76 -17.593 10.504 -5.590 1.00 0.00 C ATOM 1255 CD LYS p 76 -19.077 10.792 -5.765 1.00 0.00 C ATOM 1256 CE LYS p 76 -19.511 10.634 -7.213 1.00 0.00 C ATOM 1257 NZ LYS p 76 -20.957 10.941 -7.397 1.00 0.00 N ATOM 0 H LYS p 76 -14.811 11.072 -3.280 1.00 0.00 H new ATOM 0 HA LYS p 76 -16.870 12.681 -4.591 1.00 0.00 H new ATOM 0 HB2 LYS p 76 -16.399 9.885 -3.927 1.00 0.00 H new ATOM 0 HB3 LYS p 76 -18.013 10.415 -3.495 1.00 0.00 H new ATOM 0 HG2 LYS p 76 -17.014 11.192 -6.206 1.00 0.00 H new ATOM 0 HG3 LYS p 76 -17.374 9.497 -5.945 1.00 0.00 H new ATOM 0 HD2 LYS p 76 -19.656 10.116 -5.135 1.00 0.00 H new ATOM 0 HD3 LYS p 76 -19.294 11.806 -5.428 1.00 0.00 H new ATOM 0 HE2 LYS p 76 -18.917 11.295 -7.844 1.00 0.00 H new ATOM 0 HE3 LYS p 76 -19.312 9.614 -7.542 1.00 0.00 H new ATOM 0 HZ1 LYS p 76 -21.213 10.821 -8.398 1.00 0.00 H new ATOM 0 HZ2 LYS p 76 -21.526 10.294 -6.815 1.00 0.00 H new ATOM 0 HZ3 LYS p 76 -21.143 11.922 -7.107 1.00 0.00 H new ATOM 1271 N LYS p 77 -16.519 12.144 -1.384 1.00 0.00 N ATOM 1272 CA LYS p 77 -16.912 12.576 -0.051 1.00 0.00 C ATOM 1273 C LYS p 77 -16.308 13.943 0.249 1.00 0.00 C ATOM 1274 O LYS p 77 -16.768 14.649 1.152 1.00 0.00 O ATOM 1275 CB LYS p 77 -16.471 11.561 0.997 1.00 0.00 C ATOM 1276 CG LYS p 77 -17.598 10.686 1.534 1.00 0.00 C ATOM 1277 CD LYS p 77 -18.257 11.299 2.763 1.00 0.00 C ATOM 1278 CE LYS p 77 -19.348 10.399 3.319 1.00 0.00 C ATOM 1279 NZ LYS p 77 -20.000 10.993 4.519 1.00 0.00 N ATOM 0 H LYS p 77 -15.678 11.567 -1.407 1.00 0.00 H new ATOM 0 HA LYS p 77 -17.999 12.651 -0.015 1.00 0.00 H new ATOM 0 HB2 LYS p 77 -15.703 10.920 0.565 1.00 0.00 H new ATOM 0 HB3 LYS p 77 -16.011 12.092 1.830 1.00 0.00 H new ATOM 0 HG2 LYS p 77 -18.347 10.540 0.755 1.00 0.00 H new ATOM 0 HG3 LYS p 77 -17.204 9.701 1.786 1.00 0.00 H new ATOM 0 HD2 LYS p 77 -17.504 11.476 3.531 1.00 0.00 H new ATOM 0 HD3 LYS p 77 -18.681 12.269 2.504 1.00 0.00 H new ATOM 0 HE2 LYS p 77 -20.099 10.220 2.549 1.00 0.00 H new ATOM 0 HE3 LYS p 77 -18.922 9.430 3.580 1.00 0.00 H new ATOM 0 HZ1 LYS p 77 -20.738 10.349 4.868 1.00 0.00 H new ATOM 0 HZ2 LYS p 77 -19.289 11.140 5.263 1.00 0.00 H new ATOM 0 HZ3 LYS p 77 -20.429 11.906 4.265 1.00 0.00 H new ATOM 1293 N LEU p 78 -15.267 14.303 -0.524 1.00 0.00 N ATOM 1294 CA LEU p 78 -14.591 15.601 -0.382 1.00 0.00 C ATOM 1295 C LEU p 78 -15.544 16.758 -0.707 1.00 0.00 C ATOM 1296 O LEU p 78 -15.814 17.619 0.136 1.00 0.00 O ATOM 1297 CB LEU p 78 -13.370 15.609 -1.320 1.00 0.00 C ATOM 1298 CG LEU p 78 -12.454 16.833 -1.292 1.00 0.00 C ATOM 1299 CD1 LEU p 78 -11.071 16.408 -1.712 1.00 0.00 C ATOM 1300 CD2 LEU p 78 -12.971 17.912 -2.231 1.00 0.00 C ATOM 0 H LEU p 78 -14.876 13.709 -1.255 1.00 0.00 H new ATOM 0 HA LEU p 78 -14.267 15.740 0.650 1.00 0.00 H new ATOM 0 HB2 LEU p 78 -12.764 14.733 -1.088 1.00 0.00 H new ATOM 0 HB3 LEU p 78 -13.732 15.485 -2.341 1.00 0.00 H new ATOM 0 HG LEU p 78 -12.431 17.245 -0.283 1.00 0.00 H new ATOM 0 HD11 LEU p 78 -10.405 17.271 -1.697 1.00 0.00 H new ATOM 0 HD12 LEU p 78 -10.698 15.650 -1.023 1.00 0.00 H new ATOM 0 HD13 LEU p 78 -11.108 15.995 -2.720 1.00 0.00 H new ATOM 0 HD21 LEU p 78 -12.305 18.774 -2.196 1.00 0.00 H new ATOM 0 HD22 LEU p 78 -13.007 17.522 -3.248 1.00 0.00 H new ATOM 0 HD23 LEU p 78 -13.972 18.214 -1.922 1.00 0.00 H new ATOM 1312 N GLN p 79 -16.030 16.744 -1.939 1.00 0.00 N ATOM 1313 CA GLN p 79 -16.960 17.744 -2.451 1.00 0.00 C ATOM 1314 C GLN p 79 -18.412 17.385 -2.135 1.00 0.00 C ATOM 1315 O GLN p 79 -19.204 18.240 -1.730 1.00 0.00 O ATOM 1316 CB GLN p 79 -16.770 17.918 -3.968 1.00 0.00 C ATOM 1317 CG GLN p 79 -16.470 16.634 -4.743 1.00 0.00 C ATOM 1318 CD GLN p 79 -16.307 16.877 -6.230 1.00 0.00 C ATOM 1319 OE1 GLN p 79 -15.204 17.135 -6.712 1.00 0.00 O ATOM 1320 NE2 GLN p 79 -17.410 16.796 -6.967 1.00 0.00 N ATOM 0 H GLN p 79 -15.787 16.027 -2.623 1.00 0.00 H new ATOM 0 HA GLN p 79 -16.740 18.687 -1.951 1.00 0.00 H new ATOM 0 HB2 GLN p 79 -17.672 18.369 -4.381 1.00 0.00 H new ATOM 0 HB3 GLN p 79 -15.956 18.623 -4.137 1.00 0.00 H new ATOM 0 HG2 GLN p 79 -15.560 16.181 -4.350 1.00 0.00 H new ATOM 0 HG3 GLN p 79 -17.277 15.919 -4.581 1.00 0.00 H new ATOM 0 HE21 GLN p 79 -18.304 16.580 -6.525 1.00 0.00 H new ATOM 0 HE22 GLN p 79 -17.363 16.950 -7.974 1.00 0.00 H new ATOM 1329 N ALA p 80 -18.734 16.100 -2.323 1.00 0.00 N ATOM 1330 CA ALA p 80 -20.083 15.531 -2.081 1.00 0.00 C ATOM 1331 C ALA p 80 -21.155 16.178 -2.968 1.00 0.00 C ATOM 1332 O ALA p 80 -21.444 17.380 -2.778 1.00 0.00 O ATOM 1333 CB ALA p 80 -20.473 15.621 -0.602 1.00 0.00 C ATOM 1334 OXT ALA p 80 -21.695 15.474 -3.846 1.00 0.00 O ATOM 0 H ALA p 80 -18.061 15.408 -2.652 1.00 0.00 H new ATOM 0 HA ALA p 80 -20.029 14.477 -2.354 1.00 0.00 H new ATOM 0 HB1 ALA p 80 -21.466 15.195 -0.461 1.00 0.00 H new ATOM 0 HB2 ALA p 80 -19.752 15.067 -0.001 1.00 0.00 H new ATOM 0 HB3 ALA p 80 -20.478 16.665 -0.290 1.00 0.00 H new