USER MOD reduce.3.24.130724 H: found=0, std=0, add=523, rem=0, adj=1 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 51 GLN : amide:sc= 0.0513 K(o=0.11,f=-1.6) USER MOD Set 1.2: p 55 LYS NZ :NH3+ 147:sc= 0.0548 (180deg=0) USER MOD Single : p 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : p 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : p 11 ASN : amide:sc= -0.121 K(o=-0.12,f=-1.4!) USER MOD Single : p 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : p 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : p 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : p 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : p 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : p 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : p 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : p 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : p 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : p 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : p 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : p 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : p 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : p 71 ASN : amide:sc= 0 K(o=0,f=-1.4!) 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 -5.330 21.654 4.697 1.00 0.00 N ATOM 38 CA ALA p 3 -5.035 20.692 5.764 1.00 0.00 C ATOM 39 C ALA p 3 -5.647 19.336 5.457 1.00 0.00 C ATOM 40 O ALA p 3 -5.188 18.310 5.948 1.00 0.00 O ATOM 41 CB ALA p 3 -5.548 21.214 7.098 1.00 0.00 C ATOM 0 HA ALA p 3 -3.954 20.570 5.825 1.00 0.00 H new ATOM 0 HB1 ALA p 3 -5.323 20.491 7.882 1.00 0.00 H new ATOM 0 HB2 ALA p 3 -5.063 22.162 7.329 1.00 0.00 H new ATOM 0 HB3 ALA p 3 -6.626 21.363 7.040 1.00 0.00 H new ATOM 47 N LEU p 4 -6.699 19.380 4.635 1.00 0.00 N ATOM 48 CA LEU p 4 -7.451 18.221 4.189 1.00 0.00 C ATOM 49 C LEU p 4 -6.755 17.669 2.957 1.00 0.00 C ATOM 50 O LEU p 4 -6.712 16.461 2.722 1.00 0.00 O ATOM 51 CB LEU p 4 -8.914 18.637 3.887 1.00 0.00 C ATOM 52 CG LEU p 4 -9.906 17.524 3.471 1.00 0.00 C ATOM 53 CD1 LEU p 4 -9.943 17.387 1.958 1.00 0.00 C ATOM 54 CD2 LEU p 4 -9.547 16.192 4.112 1.00 0.00 C ATOM 0 H LEU p 4 -7.056 20.256 4.253 1.00 0.00 H new ATOM 0 HA LEU p 4 -7.487 17.448 4.957 1.00 0.00 H new ATOM 0 HB2 LEU p 4 -9.313 19.128 4.775 1.00 0.00 H new ATOM 0 HB3 LEU p 4 -8.894 19.383 3.092 1.00 0.00 H new ATOM 0 HG LEU p 4 -10.896 17.811 3.826 1.00 0.00 H new ATOM 0 HD11 LEU p 4 -10.645 16.600 1.681 1.00 0.00 H new ATOM 0 HD12 LEU p 4 -10.262 18.330 1.515 1.00 0.00 H new ATOM 0 HD13 LEU p 4 -8.949 17.132 1.591 1.00 0.00 H new ATOM 0 HD21 LEU p 4 -10.264 15.433 3.799 1.00 0.00 H new ATOM 0 HD22 LEU p 4 -8.545 15.896 3.800 1.00 0.00 H new ATOM 0 HD23 LEU p 4 -9.574 16.291 5.197 1.00 0.00 H new ATOM 66 N GLU p 5 -6.221 18.614 2.195 1.00 0.00 N ATOM 67 CA GLU p 5 -5.437 18.349 0.988 1.00 0.00 C ATOM 68 C GLU p 5 -4.039 17.962 1.414 1.00 0.00 C ATOM 69 O GLU p 5 -3.308 17.309 0.679 1.00 0.00 O ATOM 70 CB GLU p 5 -5.365 19.584 0.091 1.00 0.00 C ATOM 71 CG GLU p 5 -6.678 20.330 -0.013 1.00 0.00 C ATOM 72 CD GLU p 5 -7.075 20.634 -1.444 1.00 0.00 C ATOM 73 OE1 GLU p 5 -6.682 21.704 -1.956 1.00 0.00 O ATOM 74 OE2 GLU p 5 -7.778 19.800 -2.055 1.00 0.00 O ATOM 0 H GLU p 5 -6.321 19.608 2.400 1.00 0.00 H new ATOM 0 HA GLU p 5 -5.913 17.549 0.421 1.00 0.00 H new ATOM 0 HB2 GLU p 5 -4.602 20.260 0.477 1.00 0.00 H new ATOM 0 HB3 GLU p 5 -5.048 19.281 -0.907 1.00 0.00 H new ATOM 0 HG2 GLU p 5 -7.463 19.739 0.458 1.00 0.00 H new ATOM 0 HG3 GLU p 5 -6.604 21.264 0.544 1.00 0.00 H new ATOM 81 N LYS p 6 -3.708 18.419 2.627 1.00 0.00 N ATOM 82 CA LYS p 6 -2.423 18.133 3.286 1.00 0.00 C ATOM 83 C LYS p 6 -2.539 16.860 4.106 1.00 0.00 C ATOM 84 O LYS p 6 -1.539 16.270 4.493 1.00 0.00 O ATOM 85 CB LYS p 6 -1.989 19.274 4.191 1.00 0.00 C ATOM 86 CG LYS p 6 -0.746 20.002 3.705 1.00 0.00 C ATOM 87 CD LYS p 6 -0.359 21.134 4.645 1.00 0.00 C ATOM 88 CE LYS p 6 0.889 21.854 4.164 1.00 0.00 C ATOM 89 NZ LYS p 6 1.275 22.965 5.076 1.00 0.00 N ATOM 0 H LYS p 6 -4.329 19.004 3.186 1.00 0.00 H new ATOM 0 HA LYS p 6 -1.671 18.012 2.506 1.00 0.00 H new ATOM 0 HB2 LYS p 6 -2.807 19.989 4.277 1.00 0.00 H new ATOM 0 HB3 LYS p 6 -1.802 18.882 5.191 1.00 0.00 H new ATOM 0 HG2 LYS p 6 0.081 19.297 3.623 1.00 0.00 H new ATOM 0 HG3 LYS p 6 -0.924 20.402 2.707 1.00 0.00 H new ATOM 0 HD2 LYS p 6 -1.183 21.843 4.721 1.00 0.00 H new ATOM 0 HD3 LYS p 6 -0.188 20.736 5.645 1.00 0.00 H new ATOM 0 HE2 LYS p 6 1.712 21.143 4.089 1.00 0.00 H new ATOM 0 HE3 LYS p 6 0.717 22.249 3.163 1.00 0.00 H new ATOM 0 HZ1 LYS p 6 2.131 23.431 4.713 1.00 0.00 H new ATOM 0 HZ2 LYS p 6 0.500 23.657 5.128 1.00 0.00 H new ATOM 0 HZ3 LYS p 6 1.464 22.585 6.025 1.00 0.00 H new ATOM 103 N GLU p 7 -3.793 16.491 4.382 1.00 0.00 N ATOM 104 CA GLU p 7 -4.156 15.272 5.100 1.00 0.00 C ATOM 105 C GLU p 7 -4.279 14.169 4.059 1.00 0.00 C ATOM 106 O GLU p 7 -4.148 12.985 4.350 1.00 0.00 O ATOM 107 CB GLU p 7 -5.477 15.505 5.843 1.00 0.00 C ATOM 108 CG GLU p 7 -6.362 14.282 6.005 1.00 0.00 C ATOM 109 CD GLU p 7 -6.561 13.883 7.454 1.00 0.00 C ATOM 110 OE1 GLU p 7 -5.728 13.114 7.978 1.00 0.00 O ATOM 111 OE2 GLU p 7 -7.550 14.340 8.065 1.00 0.00 O ATOM 0 H GLU p 7 -4.602 17.047 4.104 1.00 0.00 H new ATOM 0 HA GLU p 7 -3.410 14.991 5.843 1.00 0.00 H new ATOM 0 HB2 GLU p 7 -5.252 15.902 6.833 1.00 0.00 H new ATOM 0 HB3 GLU p 7 -6.041 16.272 5.313 1.00 0.00 H new ATOM 0 HG2 GLU p 7 -7.333 14.480 5.552 1.00 0.00 H new ATOM 0 HG3 GLU p 7 -5.921 13.447 5.461 1.00 0.00 H new ATOM 118 N LEU p 8 -4.557 14.644 2.848 1.00 0.00 N ATOM 119 CA LEU p 8 -4.683 13.855 1.643 1.00 0.00 C ATOM 120 C LEU p 8 -3.319 13.853 0.961 1.00 0.00 C ATOM 121 O LEU p 8 -3.033 13.016 0.113 1.00 0.00 O ATOM 122 CB LEU p 8 -5.778 14.446 0.725 1.00 0.00 C ATOM 123 CG LEU p 8 -6.124 13.674 -0.569 1.00 0.00 C ATOM 124 CD1 LEU p 8 -5.323 14.223 -1.737 1.00 0.00 C ATOM 125 CD2 LEU p 8 -5.866 12.183 -0.408 1.00 0.00 C ATOM 0 H LEU p 8 -4.706 15.639 2.681 1.00 0.00 H new ATOM 0 HA LEU p 8 -4.985 12.833 1.872 1.00 0.00 H new ATOM 0 HB2 LEU p 8 -6.691 14.543 1.312 1.00 0.00 H new ATOM 0 HB3 LEU p 8 -5.472 15.453 0.443 1.00 0.00 H new ATOM 0 HG LEU p 8 -7.187 13.811 -0.770 1.00 0.00 H new ATOM 0 HD11 LEU p 8 -5.575 13.671 -2.643 1.00 0.00 H new ATOM 0 HD12 LEU p 8 -5.560 15.278 -1.877 1.00 0.00 H new ATOM 0 HD13 LEU p 8 -4.258 14.114 -1.531 1.00 0.00 H new ATOM 0 HD21 LEU p 8 -6.119 11.668 -1.335 1.00 0.00 H new ATOM 0 HD22 LEU p 8 -4.813 12.019 -0.177 1.00 0.00 H new ATOM 0 HD23 LEU p 8 -6.481 11.793 0.403 1.00 0.00 H new ATOM 137 N ALA p 9 -2.512 14.848 1.355 1.00 0.00 N ATOM 138 CA ALA p 9 -1.127 15.003 0.903 1.00 0.00 C ATOM 139 C ALA p 9 -0.259 14.258 1.894 1.00 0.00 C ATOM 140 O ALA p 9 0.878 13.880 1.607 1.00 0.00 O ATOM 141 CB ALA p 9 -0.685 16.454 0.804 1.00 0.00 C ATOM 0 H ALA p 9 -2.809 15.576 2.005 1.00 0.00 H new ATOM 0 HA ALA p 9 -1.036 14.602 -0.107 1.00 0.00 H new ATOM 0 HB1 ALA p 9 0.350 16.497 0.464 1.00 0.00 H new ATOM 0 HB2 ALA p 9 -1.322 16.981 0.094 1.00 0.00 H new ATOM 0 HB3 ALA p 9 -0.765 16.926 1.783 1.00 0.00 H new ATOM 147 N GLN p 10 -0.855 14.071 3.082 1.00 0.00 N ATOM 148 CA GLN p 10 -0.272 13.318 4.169 1.00 0.00 C ATOM 149 C GLN p 10 -0.733 11.886 3.985 1.00 0.00 C ATOM 150 O GLN p 10 -0.042 10.956 4.347 1.00 0.00 O ATOM 151 CB GLN p 10 -0.720 13.904 5.515 1.00 0.00 C ATOM 152 CG GLN p 10 -0.867 12.907 6.653 1.00 0.00 C ATOM 153 CD GLN p 10 0.161 13.110 7.750 1.00 0.00 C ATOM 154 OE1 GLN p 10 1.248 12.534 7.712 1.00 0.00 O ATOM 155 NE2 GLN p 10 -0.180 13.932 8.735 1.00 0.00 N ATOM 0 H GLN p 10 -1.774 14.453 3.304 1.00 0.00 H new ATOM 0 HA GLN p 10 0.817 13.364 4.165 1.00 0.00 H new ATOM 0 HB2 GLN p 10 -0.001 14.667 5.815 1.00 0.00 H new ATOM 0 HB3 GLN p 10 -1.677 14.406 5.371 1.00 0.00 H new ATOM 0 HG2 GLN p 10 -1.867 12.993 7.078 1.00 0.00 H new ATOM 0 HG3 GLN p 10 -0.775 11.895 6.258 1.00 0.00 H new ATOM 0 HE21 GLN p 10 -1.092 14.388 8.726 1.00 0.00 H new ATOM 0 HE22 GLN p 10 0.470 14.107 9.501 1.00 0.00 H new ATOM 164 N ASN p 11 -1.928 11.777 3.383 1.00 0.00 N ATOM 165 CA ASN p 11 -2.561 10.502 3.028 1.00 0.00 C ATOM 166 C ASN p 11 -1.953 10.062 1.718 1.00 0.00 C ATOM 167 O ASN p 11 -2.048 8.903 1.331 1.00 0.00 O ATOM 168 CB ASN p 11 -4.082 10.623 2.878 1.00 0.00 C ATOM 169 CG ASN p 11 -4.826 9.335 3.206 1.00 0.00 C ATOM 170 OD1 ASN p 11 -4.410 8.554 4.065 1.00 0.00 O ATOM 171 ND2 ASN p 11 -5.941 9.111 2.517 1.00 0.00 N ATOM 0 H ASN p 11 -2.489 12.589 3.126 1.00 0.00 H new ATOM 0 HA ASN p 11 -2.387 9.779 3.825 1.00 0.00 H new ATOM 0 HB2 ASN p 11 -4.442 11.418 3.531 1.00 0.00 H new ATOM 0 HB3 ASN p 11 -4.317 10.919 1.856 1.00 0.00 H new ATOM 0 HD21 ASN p 11 -6.487 8.267 2.691 1.00 0.00 H new ATOM 0 HD22 ASN p 11 -6.250 9.783 1.815 1.00 0.00 H new ATOM 178 N GLU p 12 -1.353 11.059 1.045 1.00 0.00 N ATOM 179 CA GLU p 12 -0.621 10.904 -0.172 1.00 0.00 C ATOM 180 C GLU p 12 0.779 10.505 0.234 1.00 0.00 C ATOM 181 O GLU p 12 1.492 9.808 -0.475 1.00 0.00 O ATOM 182 CB GLU p 12 -0.587 12.248 -0.843 1.00 0.00 C ATOM 183 CG GLU p 12 0.142 12.260 -2.140 1.00 0.00 C ATOM 184 CD GLU p 12 -0.729 12.635 -3.322 1.00 0.00 C ATOM 185 OE1 GLU p 12 -1.323 11.722 -3.935 1.00 0.00 O ATOM 186 OE2 GLU p 12 -0.817 13.840 -3.636 1.00 0.00 O ATOM 0 H GLU p 12 -1.381 12.026 1.368 1.00 0.00 H new ATOM 0 HA GLU p 12 -1.057 10.166 -0.845 1.00 0.00 H new ATOM 0 HB2 GLU p 12 -1.610 12.585 -1.010 1.00 0.00 H new ATOM 0 HB3 GLU p 12 -0.121 12.967 -0.169 1.00 0.00 H new ATOM 0 HG2 GLU p 12 0.973 12.963 -2.074 1.00 0.00 H new ATOM 0 HG3 GLU p 12 0.572 11.274 -2.315 1.00 0.00 H new ATOM 193 N TRP p 13 1.122 11.063 1.392 1.00 0.00 N ATOM 194 CA TRP p 13 2.388 10.834 2.090 1.00 0.00 C ATOM 195 C TRP p 13 2.312 9.509 2.845 1.00 0.00 C ATOM 196 O TRP p 13 3.334 8.902 3.150 1.00 0.00 O ATOM 197 CB TRP p 13 2.712 11.976 3.056 1.00 0.00 C ATOM 198 CG TRP p 13 4.184 12.135 3.330 1.00 0.00 C ATOM 199 CD1 TRP p 13 4.885 11.573 4.359 1.00 0.00 C ATOM 200 CD2 TRP p 13 5.131 12.904 2.572 1.00 0.00 C ATOM 201 NE1 TRP p 13 6.206 11.943 4.288 1.00 0.00 N ATOM 202 CE2 TRP p 13 6.383 12.758 3.202 1.00 0.00 C ATOM 203 CE3 TRP p 13 5.047 13.702 1.423 1.00 0.00 C ATOM 204 CZ2 TRP p 13 7.535 13.377 2.722 1.00 0.00 C ATOM 205 CZ3 TRP p 13 6.193 14.313 0.949 1.00 0.00 C ATOM 206 CH2 TRP p 13 7.422 14.148 1.599 1.00 0.00 C ATOM 0 H TRP p 13 0.508 11.708 1.888 1.00 0.00 H new ATOM 0 HA TRP p 13 3.188 10.794 1.351 1.00 0.00 H new ATOM 0 HB2 TRP p 13 2.325 12.909 2.646 1.00 0.00 H new ATOM 0 HB3 TRP p 13 2.192 11.802 3.998 1.00 0.00 H new ATOM 0 HD1 TRP p 13 4.462 10.931 5.118 1.00 0.00 H new ATOM 0 HE1 TRP p 13 6.937 11.657 4.939 1.00 0.00 H new ATOM 0 HE3 TRP p 13 4.103 13.837 0.916 1.00 0.00 H new ATOM 0 HZ2 TRP p 13 8.485 13.252 3.220 1.00 0.00 H new ATOM 0 HZ3 TRP p 13 6.139 14.928 0.063 1.00 0.00 H new ATOM 0 HH2 TRP p 13 8.299 14.640 1.205 1.00 0.00 H new ATOM 217 N GLU p 14 1.068 9.105 3.157 1.00 0.00 N ATOM 218 CA GLU p 14 0.778 7.808 3.811 1.00 0.00 C ATOM 219 C GLU p 14 0.551 6.828 2.705 1.00 0.00 C ATOM 220 O GLU p 14 0.588 5.616 2.888 1.00 0.00 O ATOM 221 CB GLU p 14 -0.458 7.830 4.706 1.00 0.00 C ATOM 222 CG GLU p 14 -0.426 8.945 5.708 1.00 0.00 C ATOM 223 CD GLU p 14 -0.810 8.509 7.109 1.00 0.00 C ATOM 224 OE1 GLU p 14 -2.014 8.556 7.436 1.00 0.00 O ATOM 225 OE2 GLU p 14 0.094 8.121 7.879 1.00 0.00 O ATOM 0 H GLU p 14 0.236 9.663 2.966 1.00 0.00 H new ATOM 0 HA GLU p 14 1.615 7.552 4.461 1.00 0.00 H new ATOM 0 HB2 GLU p 14 -1.349 7.929 4.086 1.00 0.00 H new ATOM 0 HB3 GLU p 14 -0.539 6.878 5.230 1.00 0.00 H new ATOM 0 HG2 GLU p 14 0.576 9.374 5.731 1.00 0.00 H new ATOM 0 HG3 GLU p 14 -1.103 9.735 5.383 1.00 0.00 H new ATOM 232 N LEU p 15 0.256 7.438 1.560 1.00 0.00 N ATOM 233 CA LEU p 15 0.075 6.755 0.290 1.00 0.00 C ATOM 234 C LEU p 15 1.464 6.529 -0.277 1.00 0.00 C ATOM 235 O LEU p 15 1.734 5.525 -0.912 1.00 0.00 O ATOM 236 CB LEU p 15 -0.779 7.596 -0.682 1.00 0.00 C ATOM 237 CG LEU p 15 -1.147 6.978 -2.049 1.00 0.00 C ATOM 238 CD1 LEU p 15 -0.150 7.432 -3.100 1.00 0.00 C ATOM 239 CD2 LEU p 15 -1.190 5.461 -1.982 1.00 0.00 C ATOM 0 H LEU p 15 0.134 8.448 1.492 1.00 0.00 H new ATOM 0 HA LEU p 15 -0.454 5.813 0.431 1.00 0.00 H new ATOM 0 HB2 LEU p 15 -1.707 7.854 -0.172 1.00 0.00 H new ATOM 0 HB3 LEU p 15 -0.248 8.529 -0.870 1.00 0.00 H new ATOM 0 HG LEU p 15 -2.145 7.323 -2.322 1.00 0.00 H new ATOM 0 HD11 LEU p 15 -0.412 6.994 -4.063 1.00 0.00 H new ATOM 0 HD12 LEU p 15 -0.172 8.519 -3.177 1.00 0.00 H new ATOM 0 HD13 LEU p 15 0.851 7.109 -2.815 1.00 0.00 H new ATOM 0 HD21 LEU p 15 -1.452 5.061 -2.961 1.00 0.00 H new ATOM 0 HD22 LEU p 15 -0.212 5.082 -1.685 1.00 0.00 H new ATOM 0 HD23 LEU p 15 -1.937 5.150 -1.251 1.00 0.00 H new ATOM 251 N GLN p 16 2.318 7.510 0.021 1.00 0.00 N ATOM 252 CA GLN p 16 3.710 7.561 -0.322 1.00 0.00 C ATOM 253 C GLN p 16 4.428 6.641 0.623 1.00 0.00 C ATOM 254 O GLN p 16 5.452 6.070 0.304 1.00 0.00 O ATOM 255 CB GLN p 16 4.159 8.980 -0.089 1.00 0.00 C ATOM 256 CG GLN p 16 5.568 9.238 -0.482 1.00 0.00 C ATOM 257 CD GLN p 16 5.711 10.244 -1.608 1.00 0.00 C ATOM 258 OE1 GLN p 16 5.823 11.447 -1.371 1.00 0.00 O ATOM 259 NE2 GLN p 16 5.706 9.755 -2.843 1.00 0.00 N ATOM 0 H GLN p 16 2.020 8.335 0.542 1.00 0.00 H new ATOM 0 HA GLN p 16 3.906 7.265 -1.353 1.00 0.00 H new ATOM 0 HB2 GLN p 16 3.508 9.653 -0.647 1.00 0.00 H new ATOM 0 HB3 GLN p 16 4.037 9.221 0.967 1.00 0.00 H new ATOM 0 HG2 GLN p 16 6.119 9.598 0.387 1.00 0.00 H new ATOM 0 HG3 GLN p 16 6.030 8.298 -0.785 1.00 0.00 H new ATOM 0 HE21 GLN p 16 5.611 8.751 -2.993 1.00 0.00 H new ATOM 0 HE22 GLN p 16 5.797 10.384 -3.641 1.00 0.00 H new ATOM 268 N ALA p 17 3.863 6.630 1.824 1.00 0.00 N ATOM 269 CA ALA p 17 4.281 5.761 2.922 1.00 0.00 C ATOM 270 C ALA p 17 3.638 4.407 2.706 1.00 0.00 C ATOM 271 O ALA p 17 4.017 3.427 3.331 1.00 0.00 O ATOM 272 CB ALA p 17 3.906 6.322 4.287 1.00 0.00 C ATOM 0 H ALA p 17 3.082 7.239 2.069 1.00 0.00 H new ATOM 0 HA ALA p 17 5.368 5.683 2.919 1.00 0.00 H new ATOM 0 HB1 ALA p 17 4.240 5.637 5.066 1.00 0.00 H new ATOM 0 HB2 ALA p 17 4.385 7.291 4.426 1.00 0.00 H new ATOM 0 HB3 ALA p 17 2.824 6.440 4.347 1.00 0.00 H new ATOM 278 N LEU p 18 2.616 4.410 1.825 1.00 0.00 N ATOM 279 CA LEU p 18 1.920 3.207 1.392 1.00 0.00 C ATOM 280 C LEU p 18 2.667 2.684 0.171 1.00 0.00 C ATOM 281 O LEU p 18 2.640 1.495 -0.137 1.00 0.00 O ATOM 282 CB LEU p 18 0.448 3.502 1.044 1.00 0.00 C ATOM 283 CG LEU p 18 -0.462 2.302 0.707 1.00 0.00 C ATOM 284 CD1 LEU p 18 -0.529 2.122 -0.797 1.00 0.00 C ATOM 285 CD2 LEU p 18 0.030 1.028 1.372 1.00 0.00 C ATOM 0 H LEU p 18 2.256 5.263 1.397 1.00 0.00 H new ATOM 0 HA LEU p 18 1.906 2.467 2.192 1.00 0.00 H new ATOM 0 HB2 LEU p 18 0.004 4.034 1.886 1.00 0.00 H new ATOM 0 HB3 LEU p 18 0.434 4.183 0.193 1.00 0.00 H new ATOM 0 HG LEU p 18 -1.460 2.509 1.093 1.00 0.00 H new ATOM 0 HD11 LEU p 18 -1.172 1.274 -1.034 1.00 0.00 H new ATOM 0 HD12 LEU p 18 -0.936 3.024 -1.254 1.00 0.00 H new ATOM 0 HD13 LEU p 18 0.472 1.938 -1.186 1.00 0.00 H new ATOM 0 HD21 LEU p 18 -0.634 0.203 1.114 1.00 0.00 H new ATOM 0 HD22 LEU p 18 1.039 0.804 1.027 1.00 0.00 H new ATOM 0 HD23 LEU p 18 0.038 1.162 2.454 1.00 0.00 H new ATOM 297 N GLU p 19 3.313 3.637 -0.509 1.00 0.00 N ATOM 298 CA GLU p 19 4.165 3.368 -1.684 1.00 0.00 C ATOM 299 C GLU p 19 5.535 3.051 -1.165 1.00 0.00 C ATOM 300 O GLU p 19 6.301 2.329 -1.782 1.00 0.00 O ATOM 301 CB GLU p 19 4.281 4.557 -2.639 1.00 0.00 C ATOM 302 CG GLU p 19 2.954 5.083 -3.109 1.00 0.00 C ATOM 303 CD GLU p 19 2.799 5.054 -4.617 1.00 0.00 C ATOM 304 OE1 GLU p 19 2.328 4.025 -5.146 1.00 0.00 O ATOM 305 OE2 GLU p 19 3.148 6.061 -5.268 1.00 0.00 O ATOM 0 H GLU p 19 3.262 4.625 -0.262 1.00 0.00 H new ATOM 0 HA GLU p 19 3.715 2.552 -2.249 1.00 0.00 H new ATOM 0 HB2 GLU p 19 4.825 5.360 -2.142 1.00 0.00 H new ATOM 0 HB3 GLU p 19 4.872 4.260 -3.505 1.00 0.00 H new ATOM 0 HG2 GLU p 19 2.156 4.493 -2.657 1.00 0.00 H new ATOM 0 HG3 GLU p 19 2.832 6.107 -2.757 1.00 0.00 H new ATOM 312 N LYS p 20 5.814 3.687 -0.030 1.00 0.00 N ATOM 313 CA LYS p 20 7.053 3.501 0.731 1.00 0.00 C ATOM 314 C LYS p 20 6.915 2.272 1.613 1.00 0.00 C ATOM 315 O LYS p 20 7.904 1.727 2.099 1.00 0.00 O ATOM 316 CB LYS p 20 7.363 4.725 1.583 1.00 0.00 C ATOM 317 CG LYS p 20 8.716 5.356 1.302 1.00 0.00 C ATOM 318 CD LYS p 20 9.703 5.097 2.431 1.00 0.00 C ATOM 319 CE LYS p 20 11.059 5.732 2.154 1.00 0.00 C ATOM 320 NZ LYS p 20 11.822 4.998 1.104 1.00 0.00 N ATOM 0 H LYS p 20 5.176 4.359 0.397 1.00 0.00 H new ATOM 0 HA LYS p 20 7.878 3.364 0.032 1.00 0.00 H new ATOM 0 HB2 LYS p 20 6.586 5.472 1.421 1.00 0.00 H new ATOM 0 HB3 LYS p 20 7.319 4.442 2.635 1.00 0.00 H new ATOM 0 HG2 LYS p 20 9.117 4.958 0.370 1.00 0.00 H new ATOM 0 HG3 LYS p 20 8.595 6.430 1.164 1.00 0.00 H new ATOM 0 HD2 LYS p 20 9.300 5.492 3.364 1.00 0.00 H new ATOM 0 HD3 LYS p 20 9.826 4.023 2.567 1.00 0.00 H new ATOM 0 HE2 LYS p 20 10.917 6.766 1.841 1.00 0.00 H new ATOM 0 HE3 LYS p 20 11.642 5.755 3.075 1.00 0.00 H new ATOM 0 HZ1 LYS p 20 12.738 5.466 0.949 1.00 0.00 H new ATOM 0 HZ2 LYS p 20 11.982 4.018 1.413 1.00 0.00 H new ATOM 0 HZ3 LYS p 20 11.279 4.997 0.217 1.00 0.00 H new ATOM 334 N GLU p 21 5.650 1.875 1.820 1.00 0.00 N ATOM 335 CA GLU p 21 5.287 0.669 2.548 1.00 0.00 C ATOM 336 C GLU p 21 5.275 -0.419 1.497 1.00 0.00 C ATOM 337 O GLU p 21 5.565 -1.590 1.759 1.00 0.00 O ATOM 338 CB GLU p 21 3.922 0.833 3.234 1.00 0.00 C ATOM 339 CG GLU p 21 3.057 -0.417 3.293 1.00 0.00 C ATOM 340 CD GLU p 21 2.855 -0.928 4.706 1.00 0.00 C ATOM 341 OE1 GLU p 21 1.888 -0.489 5.363 1.00 0.00 O ATOM 342 OE2 GLU p 21 3.664 -1.767 5.156 1.00 0.00 O ATOM 0 H GLU p 21 4.844 2.398 1.477 1.00 0.00 H new ATOM 0 HA GLU p 21 5.983 0.436 3.354 1.00 0.00 H new ATOM 0 HB2 GLU p 21 4.088 1.186 4.252 1.00 0.00 H new ATOM 0 HB3 GLU p 21 3.366 1.613 2.713 1.00 0.00 H new ATOM 0 HG2 GLU p 21 2.086 -0.202 2.847 1.00 0.00 H new ATOM 0 HG3 GLU p 21 3.518 -1.200 2.691 1.00 0.00 H new ATOM 349 N LEU p 22 4.918 0.035 0.288 1.00 0.00 N ATOM 350 CA LEU p 22 4.936 -0.784 -0.904 1.00 0.00 C ATOM 351 C LEU p 22 6.394 -0.955 -1.290 1.00 0.00 C ATOM 352 O LEU p 22 6.851 -2.048 -1.625 1.00 0.00 O ATOM 353 CB LEU p 22 4.177 -0.063 -2.016 1.00 0.00 C ATOM 354 CG LEU p 22 3.614 -0.897 -3.165 1.00 0.00 C ATOM 355 CD1 LEU p 22 2.836 0.029 -4.067 1.00 0.00 C ATOM 356 CD2 LEU p 22 4.721 -1.583 -3.950 1.00 0.00 C ATOM 0 H LEU p 22 4.608 0.992 0.122 1.00 0.00 H new ATOM 0 HA LEU p 22 4.464 -1.752 -0.738 1.00 0.00 H new ATOM 0 HB2 LEU p 22 3.347 0.475 -1.558 1.00 0.00 H new ATOM 0 HB3 LEU p 22 4.845 0.685 -2.444 1.00 0.00 H new ATOM 0 HG LEU p 22 2.971 -1.681 -2.765 1.00 0.00 H new ATOM 0 HD11 LEU p 22 2.420 -0.538 -4.900 1.00 0.00 H new ATOM 0 HD12 LEU p 22 2.026 0.491 -3.503 1.00 0.00 H new ATOM 0 HD13 LEU p 22 3.499 0.804 -4.451 1.00 0.00 H new ATOM 0 HD21 LEU p 22 4.284 -2.168 -4.760 1.00 0.00 H new ATOM 0 HD22 LEU p 22 5.392 -0.831 -4.366 1.00 0.00 H new ATOM 0 HD23 LEU p 22 5.282 -2.243 -3.288 1.00 0.00 H new ATOM 368 N ALA p 23 7.106 0.177 -1.202 1.00 0.00 N ATOM 369 CA ALA p 23 8.550 0.243 -1.476 1.00 0.00 C ATOM 370 C ALA p 23 9.341 -0.377 -0.329 1.00 0.00 C ATOM 371 O ALA p 23 10.529 -0.633 -0.466 1.00 0.00 O ATOM 372 CB ALA p 23 9.016 1.674 -1.717 1.00 0.00 C ATOM 0 H ALA p 23 6.698 1.074 -0.939 1.00 0.00 H new ATOM 0 HA ALA p 23 8.733 -0.326 -2.387 1.00 0.00 H new ATOM 0 HB1 ALA p 23 10.088 1.679 -1.916 1.00 0.00 H new ATOM 0 HB2 ALA p 23 8.486 2.090 -2.574 1.00 0.00 H new ATOM 0 HB3 ALA p 23 8.808 2.278 -0.834 1.00 0.00 H new ATOM 378 N GLN p 24 8.642 -0.609 0.796 1.00 0.00 N ATOM 379 CA GLN p 24 9.189 -1.220 1.996 1.00 0.00 C ATOM 380 C GLN p 24 9.325 -2.725 1.793 1.00 0.00 C ATOM 381 O GLN p 24 10.201 -3.353 2.353 1.00 0.00 O ATOM 382 CB GLN p 24 8.230 -0.915 3.147 1.00 0.00 C ATOM 383 CG GLN p 24 8.318 -1.859 4.322 1.00 0.00 C ATOM 384 CD GLN p 24 8.870 -1.204 5.573 1.00 0.00 C ATOM 385 OE1 GLN p 24 8.121 -0.660 6.384 1.00 0.00 O ATOM 386 NE2 GLN p 24 10.187 -1.253 5.734 1.00 0.00 N ATOM 0 H GLN p 24 7.656 -0.366 0.887 1.00 0.00 H new ATOM 0 HA GLN p 24 10.179 -0.822 2.219 1.00 0.00 H new ATOM 0 HB2 GLN p 24 8.422 0.098 3.500 1.00 0.00 H new ATOM 0 HB3 GLN p 24 7.210 -0.931 2.763 1.00 0.00 H new ATOM 0 HG2 GLN p 24 7.326 -2.257 4.535 1.00 0.00 H new ATOM 0 HG3 GLN p 24 8.950 -2.705 4.053 1.00 0.00 H new ATOM 0 HE21 GLN p 24 10.769 -1.715 5.035 1.00 0.00 H new ATOM 0 HE22 GLN p 24 10.616 -0.829 6.556 1.00 0.00 H new ATOM 395 N LEU p 25 8.423 -3.244 0.966 1.00 0.00 N ATOM 396 CA LEU p 25 8.317 -4.649 0.590 1.00 0.00 C ATOM 397 C LEU p 25 9.381 -4.959 -0.443 1.00 0.00 C ATOM 398 O LEU p 25 9.987 -6.019 -0.442 1.00 0.00 O ATOM 399 CB LEU p 25 6.926 -4.867 -0.016 1.00 0.00 C ATOM 400 CG LEU p 25 6.311 -6.268 0.071 1.00 0.00 C ATOM 401 CD1 LEU p 25 5.008 -6.255 -0.689 1.00 0.00 C ATOM 402 CD2 LEU p 25 7.233 -7.334 -0.502 1.00 0.00 C ATOM 0 H LEU p 25 7.711 -2.667 0.518 1.00 0.00 H new ATOM 0 HA LEU p 25 8.457 -5.299 1.454 1.00 0.00 H new ATOM 0 HB2 LEU p 25 6.240 -4.171 0.467 1.00 0.00 H new ATOM 0 HB3 LEU p 25 6.974 -4.589 -1.069 1.00 0.00 H new ATOM 0 HG LEU p 25 6.150 -6.517 1.120 1.00 0.00 H new ATOM 0 HD11 LEU p 25 4.550 -7.243 -0.642 1.00 0.00 H new ATOM 0 HD12 LEU p 25 4.335 -5.521 -0.245 1.00 0.00 H new ATOM 0 HD13 LEU p 25 5.196 -5.992 -1.730 1.00 0.00 H new ATOM 0 HD21 LEU p 25 6.756 -8.311 -0.419 1.00 0.00 H new ATOM 0 HD22 LEU p 25 7.434 -7.116 -1.551 1.00 0.00 H new ATOM 0 HD23 LEU p 25 8.171 -7.340 0.053 1.00 0.00 H new ATOM 414 N GLU p 26 9.525 -3.988 -1.334 1.00 0.00 N ATOM 415 CA GLU p 26 10.500 -3.950 -2.406 1.00 0.00 C ATOM 416 C GLU p 26 11.837 -3.619 -1.795 1.00 0.00 C ATOM 417 O GLU p 26 12.880 -3.859 -2.383 1.00 0.00 O ATOM 418 CB GLU p 26 10.118 -2.884 -3.423 1.00 0.00 C ATOM 419 CG GLU p 26 8.652 -2.916 -3.799 1.00 0.00 C ATOM 420 CD GLU p 26 8.424 -2.950 -5.298 1.00 0.00 C ATOM 421 OE1 GLU p 26 8.375 -4.062 -5.867 1.00 0.00 O ATOM 422 OE2 GLU p 26 8.296 -1.866 -5.904 1.00 0.00 O ATOM 0 H GLU p 26 8.929 -3.160 -1.324 1.00 0.00 H new ATOM 0 HA GLU p 26 10.539 -4.911 -2.919 1.00 0.00 H new ATOM 0 HB2 GLU p 26 10.361 -1.901 -3.018 1.00 0.00 H new ATOM 0 HB3 GLU p 26 10.720 -3.017 -4.322 1.00 0.00 H new ATOM 0 HG2 GLU p 26 8.186 -3.791 -3.346 1.00 0.00 H new ATOM 0 HG3 GLU p 26 8.157 -2.039 -3.382 1.00 0.00 H new ATOM 429 N LYS p 27 11.738 -2.991 -0.619 1.00 0.00 N ATOM 430 CA LYS p 27 12.892 -2.661 0.226 1.00 0.00 C ATOM 431 C LYS p 27 13.206 -3.873 1.075 1.00 0.00 C ATOM 432 O LYS p 27 14.370 -4.153 1.374 1.00 0.00 O ATOM 433 CB LYS p 27 12.639 -1.443 1.111 1.00 0.00 C ATOM 434 CG LYS p 27 13.302 -0.165 0.612 1.00 0.00 C ATOM 435 CD LYS p 27 14.686 0.032 1.216 1.00 0.00 C ATOM 436 CE LYS p 27 15.338 1.310 0.710 1.00 0.00 C ATOM 437 NZ LYS p 27 16.704 1.497 1.271 1.00 0.00 N ATOM 0 H LYS p 27 10.846 -2.694 -0.222 1.00 0.00 H new ATOM 0 HA LYS p 27 13.735 -2.402 -0.414 1.00 0.00 H new ATOM 0 HB2 LYS p 27 11.564 -1.277 1.185 1.00 0.00 H new ATOM 0 HB3 LYS p 27 12.998 -1.657 2.118 1.00 0.00 H new ATOM 0 HG2 LYS p 27 13.382 -0.198 -0.475 1.00 0.00 H new ATOM 0 HG3 LYS p 27 12.673 0.690 0.859 1.00 0.00 H new ATOM 0 HD2 LYS p 27 14.608 0.067 2.303 1.00 0.00 H new ATOM 0 HD3 LYS p 27 15.317 -0.822 0.969 1.00 0.00 H new ATOM 0 HE2 LYS p 27 15.393 1.283 -0.378 1.00 0.00 H new ATOM 0 HE3 LYS p 27 14.716 2.165 0.976 1.00 0.00 H new ATOM 0 HZ1 LYS p 27 17.113 2.379 0.902 1.00 0.00 H new ATOM 0 HZ2 LYS p 27 16.649 1.549 2.308 1.00 0.00 H new ATOM 0 HZ3 LYS p 27 17.305 0.694 0.996 1.00 0.00 H new ATOM 451 N GLU p 28 12.136 -4.591 1.464 1.00 0.00 N ATOM 452 CA GLU p 28 12.283 -5.864 2.202 1.00 0.00 C ATOM 453 C GLU p 28 12.792 -6.856 1.201 1.00 0.00 C ATOM 454 O GLU p 28 13.581 -7.754 1.502 1.00 0.00 O ATOM 455 CB GLU p 28 10.971 -6.396 2.782 1.00 0.00 C ATOM 456 CG GLU p 28 10.298 -5.448 3.733 1.00 0.00 C ATOM 457 CD GLU p 28 10.216 -5.981 5.151 1.00 0.00 C ATOM 458 OE1 GLU p 28 9.214 -6.652 5.476 1.00 0.00 O ATOM 459 OE2 GLU p 28 11.152 -5.724 5.936 1.00 0.00 O ATOM 0 H GLU p 28 11.170 -4.317 1.283 1.00 0.00 H new ATOM 0 HA GLU p 28 12.948 -5.704 3.051 1.00 0.00 H new ATOM 0 HB2 GLU p 28 10.287 -6.620 1.963 1.00 0.00 H new ATOM 0 HB3 GLU p 28 11.168 -7.335 3.299 1.00 0.00 H new ATOM 0 HG2 GLU p 28 10.841 -4.503 3.738 1.00 0.00 H new ATOM 0 HG3 GLU p 28 9.291 -5.236 3.373 1.00 0.00 H new ATOM 466 N LEU p 29 12.290 -6.645 -0.016 1.00 0.00 N ATOM 467 CA LEU p 29 12.680 -7.423 -1.176 1.00 0.00 C ATOM 468 C LEU p 29 14.097 -7.055 -1.591 1.00 0.00 C ATOM 469 O LEU p 29 14.933 -7.929 -1.835 1.00 0.00 O ATOM 470 CB LEU p 29 11.722 -7.129 -2.327 1.00 0.00 C ATOM 471 CG LEU p 29 11.403 -8.264 -3.294 1.00 0.00 C ATOM 472 CD1 LEU p 29 10.491 -7.718 -4.366 1.00 0.00 C ATOM 473 CD2 LEU p 29 12.664 -8.840 -3.914 1.00 0.00 C ATOM 0 H LEU p 29 11.598 -5.924 -0.218 1.00 0.00 H new ATOM 0 HA LEU p 29 12.642 -8.484 -0.928 1.00 0.00 H new ATOM 0 HB2 LEU p 29 10.782 -6.779 -1.900 1.00 0.00 H new ATOM 0 HB3 LEU p 29 12.136 -6.303 -2.905 1.00 0.00 H new ATOM 0 HG LEU p 29 10.917 -9.076 -2.753 1.00 0.00 H new ATOM 0 HD11 LEU p 29 10.246 -8.510 -5.073 1.00 0.00 H new ATOM 0 HD12 LEU p 29 9.575 -7.344 -3.909 1.00 0.00 H new ATOM 0 HD13 LEU p 29 10.993 -6.905 -4.891 1.00 0.00 H new ATOM 0 HD21 LEU p 29 12.398 -9.646 -4.597 1.00 0.00 H new ATOM 0 HD22 LEU p 29 13.190 -8.058 -4.462 1.00 0.00 H new ATOM 0 HD23 LEU p 29 13.311 -9.229 -3.128 1.00 0.00 H new ATOM 791 N GLN p 51 2.355 -15.815 -5.613 1.00 0.00 N ATOM 792 CA GLN p 51 0.890 -15.797 -5.481 1.00 0.00 C ATOM 793 C GLN p 51 0.416 -15.072 -4.215 1.00 0.00 C ATOM 794 O GLN p 51 -0.786 -14.867 -4.030 1.00 0.00 O ATOM 795 CB GLN p 51 0.343 -17.231 -5.495 1.00 0.00 C ATOM 796 CG GLN p 51 0.379 -17.891 -6.865 1.00 0.00 C ATOM 797 CD GLN p 51 -0.166 -19.306 -6.847 1.00 0.00 C ATOM 798 OE1 GLN p 51 -1.360 -19.526 -7.049 1.00 0.00 O ATOM 799 NE2 GLN p 51 0.710 -20.275 -6.605 1.00 0.00 N ATOM 0 HA GLN p 51 0.502 -15.240 -6.334 1.00 0.00 H new ATOM 0 HB2 GLN p 51 0.920 -17.836 -4.796 1.00 0.00 H new ATOM 0 HB3 GLN p 51 -0.686 -17.221 -5.134 1.00 0.00 H new ATOM 0 HG2 GLN p 51 -0.200 -17.292 -7.568 1.00 0.00 H new ATOM 0 HG3 GLN p 51 1.406 -17.906 -7.230 1.00 0.00 H new ATOM 0 HE21 GLN p 51 1.691 -20.047 -6.443 1.00 0.00 H new ATOM 0 HE22 GLN p 51 0.402 -21.247 -6.581 1.00 0.00 H new ATOM 808 N ALA p 52 1.353 -14.721 -3.335 1.00 0.00 N ATOM 809 CA ALA p 52 1.017 -14.044 -2.082 1.00 0.00 C ATOM 810 C ALA p 52 1.431 -12.570 -2.057 1.00 0.00 C ATOM 811 O ALA p 52 0.948 -11.806 -1.227 1.00 0.00 O ATOM 812 CB ALA p 52 1.664 -14.789 -0.927 1.00 0.00 C ATOM 0 H ALA p 52 2.350 -14.894 -3.466 1.00 0.00 H new ATOM 0 HA ALA p 52 -0.069 -14.055 -1.989 1.00 0.00 H new ATOM 0 HB1 ALA p 52 1.418 -14.291 0.011 1.00 0.00 H new ATOM 0 HB2 ALA p 52 1.293 -15.814 -0.901 1.00 0.00 H new ATOM 0 HB3 ALA p 52 2.746 -14.798 -1.060 1.00 0.00 H new ATOM 818 N LEU p 53 2.356 -12.198 -2.935 1.00 0.00 N ATOM 819 CA LEU p 53 2.877 -10.852 -3.024 1.00 0.00 C ATOM 820 C LEU p 53 2.178 -10.055 -4.118 1.00 0.00 C ATOM 821 O LEU p 53 1.390 -9.157 -3.843 1.00 0.00 O ATOM 822 CB LEU p 53 4.380 -10.947 -3.278 1.00 0.00 C ATOM 823 CG LEU p 53 5.228 -9.779 -2.806 1.00 0.00 C ATOM 824 CD1 LEU p 53 6.629 -10.278 -2.541 1.00 0.00 C ATOM 825 CD2 LEU p 53 5.235 -8.683 -3.855 1.00 0.00 C ATOM 0 H LEU p 53 2.767 -12.839 -3.613 1.00 0.00 H new ATOM 0 HA LEU p 53 2.690 -10.320 -2.091 1.00 0.00 H new ATOM 0 HB2 LEU p 53 4.750 -11.852 -2.796 1.00 0.00 H new ATOM 0 HB3 LEU p 53 4.537 -11.070 -4.350 1.00 0.00 H new ATOM 0 HG LEU p 53 4.814 -9.361 -1.889 1.00 0.00 H new ATOM 0 HD11 LEU p 53 7.252 -9.451 -2.201 1.00 0.00 H new ATOM 0 HD12 LEU p 53 6.601 -11.051 -1.773 1.00 0.00 H new ATOM 0 HD13 LEU p 53 7.047 -10.693 -3.458 1.00 0.00 H new ATOM 0 HD21 LEU p 53 5.846 -7.850 -3.507 1.00 0.00 H new ATOM 0 HD22 LEU p 53 5.649 -9.072 -4.785 1.00 0.00 H new ATOM 0 HD23 LEU p 53 4.216 -8.338 -4.028 1.00 0.00 H new ATOM 837 N LYS p 54 2.461 -10.451 -5.364 1.00 0.00 N ATOM 838 CA LYS p 54 1.906 -9.817 -6.578 1.00 0.00 C ATOM 839 C LYS p 54 0.381 -9.938 -6.655 1.00 0.00 C ATOM 840 O LYS p 54 -0.261 -9.263 -7.456 1.00 0.00 O ATOM 841 CB LYS p 54 2.538 -10.433 -7.832 1.00 0.00 C ATOM 842 CG LYS p 54 3.978 -10.002 -8.068 1.00 0.00 C ATOM 843 CD LYS p 54 4.550 -10.632 -9.327 1.00 0.00 C ATOM 844 CE LYS p 54 5.991 -10.207 -9.557 1.00 0.00 C ATOM 845 NZ LYS p 54 6.563 -10.824 -10.787 1.00 0.00 N ATOM 0 H LYS p 54 3.089 -11.229 -5.566 1.00 0.00 H new ATOM 0 HA LYS p 54 2.149 -8.756 -6.524 1.00 0.00 H new ATOM 0 HB2 LYS p 54 2.502 -11.519 -7.749 1.00 0.00 H new ATOM 0 HB3 LYS p 54 1.940 -10.160 -8.701 1.00 0.00 H new ATOM 0 HG2 LYS p 54 4.025 -8.916 -8.150 1.00 0.00 H new ATOM 0 HG3 LYS p 54 4.588 -10.283 -7.210 1.00 0.00 H new ATOM 0 HD2 LYS p 54 4.498 -11.718 -9.248 1.00 0.00 H new ATOM 0 HD3 LYS p 54 3.944 -10.346 -10.186 1.00 0.00 H new ATOM 0 HE2 LYS p 54 6.041 -9.121 -9.639 1.00 0.00 H new ATOM 0 HE3 LYS p 54 6.595 -10.490 -8.695 1.00 0.00 H new ATOM 0 HZ1 LYS p 54 7.547 -10.509 -10.908 1.00 0.00 H new ATOM 0 HZ2 LYS p 54 6.539 -11.860 -10.699 1.00 0.00 H new ATOM 0 HZ3 LYS p 54 6.002 -10.534 -11.614 1.00 0.00 H new ATOM 859 N LYS p 55 -0.162 -10.818 -5.817 1.00 0.00 N ATOM 860 CA LYS p 55 -1.578 -11.077 -5.712 1.00 0.00 C ATOM 861 C LYS p 55 -2.165 -10.253 -4.585 1.00 0.00 C ATOM 862 O LYS p 55 -3.263 -9.711 -4.712 1.00 0.00 O ATOM 863 CB LYS p 55 -1.822 -12.561 -5.490 1.00 0.00 C ATOM 864 CG LYS p 55 -1.934 -13.360 -6.778 1.00 0.00 C ATOM 865 CD LYS p 55 -2.529 -14.737 -6.535 1.00 0.00 C ATOM 866 CE LYS p 55 -2.654 -15.525 -7.829 1.00 0.00 C ATOM 867 NZ LYS p 55 -3.215 -16.886 -7.598 1.00 0.00 N ATOM 0 H LYS p 55 0.397 -11.383 -5.177 1.00 0.00 H new ATOM 0 HA LYS p 55 -2.070 -10.790 -6.641 1.00 0.00 H new ATOM 0 HB2 LYS p 55 -1.009 -12.968 -4.890 1.00 0.00 H new ATOM 0 HB3 LYS p 55 -2.738 -12.687 -4.913 1.00 0.00 H new ATOM 0 HG2 LYS p 55 -2.554 -12.816 -7.491 1.00 0.00 H new ATOM 0 HG3 LYS p 55 -0.947 -13.464 -7.229 1.00 0.00 H new ATOM 0 HD2 LYS p 55 -1.903 -15.286 -5.832 1.00 0.00 H new ATOM 0 HD3 LYS p 55 -3.511 -14.634 -6.074 1.00 0.00 H new ATOM 0 HE2 LYS p 55 -3.294 -14.982 -8.525 1.00 0.00 H new ATOM 0 HE3 LYS p 55 -1.674 -15.611 -8.298 1.00 0.00 H new ATOM 0 HZ1 LYS p 55 -3.788 -17.169 -8.419 1.00 0.00 H new ATOM 0 HZ2 LYS p 55 -2.438 -17.564 -7.468 1.00 0.00 H new ATOM 0 HZ3 LYS p 55 -3.812 -16.876 -6.746 1.00 0.00 H new ATOM 881 N LYS p 56 -1.410 -10.167 -3.475 1.00 0.00 N ATOM 882 CA LYS p 56 -1.828 -9.345 -2.313 1.00 0.00 C ATOM 883 C LYS p 56 -1.599 -7.859 -2.621 1.00 0.00 C ATOM 884 O LYS p 56 -2.067 -6.968 -1.910 1.00 0.00 O ATOM 885 CB LYS p 56 -1.079 -9.741 -1.044 1.00 0.00 C ATOM 886 CG LYS p 56 -1.731 -10.895 -0.296 1.00 0.00 C ATOM 887 CD LYS p 56 -1.038 -11.165 1.030 1.00 0.00 C ATOM 888 CE LYS p 56 -1.694 -12.318 1.775 1.00 0.00 C ATOM 889 NZ LYS p 56 -1.030 -12.586 3.080 1.00 0.00 N ATOM 0 H LYS p 56 -0.519 -10.647 -3.353 1.00 0.00 H new ATOM 0 HA LYS p 56 -2.889 -9.523 -2.138 1.00 0.00 H new ATOM 0 HB2 LYS p 56 -0.057 -10.017 -1.305 1.00 0.00 H new ATOM 0 HB3 LYS p 56 -1.017 -8.877 -0.382 1.00 0.00 H new ATOM 0 HG2 LYS p 56 -2.782 -10.667 -0.118 1.00 0.00 H new ATOM 0 HG3 LYS p 56 -1.700 -11.793 -0.913 1.00 0.00 H new ATOM 0 HD2 LYS p 56 0.013 -11.395 0.853 1.00 0.00 H new ATOM 0 HD3 LYS p 56 -1.068 -10.267 1.647 1.00 0.00 H new ATOM 0 HE2 LYS p 56 -2.746 -12.089 1.944 1.00 0.00 H new ATOM 0 HE3 LYS p 56 -1.658 -13.216 1.158 1.00 0.00 H new ATOM 0 HZ1 LYS p 56 -1.507 -13.378 3.556 1.00 0.00 H new ATOM 0 HZ2 LYS p 56 -0.032 -12.829 2.918 1.00 0.00 H new ATOM 0 HZ3 LYS p 56 -1.087 -11.738 3.679 1.00 0.00 H new ATOM 903 N LEU p 57 -0.857 -7.654 -3.709 1.00 0.00 N ATOM 904 CA LEU p 57 -0.509 -6.363 -4.271 1.00 0.00 C ATOM 905 C LEU p 57 -1.543 -6.052 -5.311 1.00 0.00 C ATOM 906 O LEU p 57 -2.040 -4.936 -5.408 1.00 0.00 O ATOM 907 CB LEU p 57 0.860 -6.430 -4.934 1.00 0.00 C ATOM 908 CG LEU p 57 2.036 -5.819 -4.179 1.00 0.00 C ATOM 909 CD1 LEU p 57 2.275 -6.527 -2.851 1.00 0.00 C ATOM 910 CD2 LEU p 57 3.255 -5.913 -5.064 1.00 0.00 C ATOM 0 H LEU p 57 -0.465 -8.429 -4.245 1.00 0.00 H new ATOM 0 HA LEU p 57 -0.477 -5.601 -3.493 1.00 0.00 H new ATOM 0 HB2 LEU p 57 1.091 -7.478 -5.126 1.00 0.00 H new ATOM 0 HB3 LEU p 57 0.789 -5.937 -5.903 1.00 0.00 H new ATOM 0 HG LEU p 57 1.819 -4.777 -3.943 1.00 0.00 H new ATOM 0 HD11 LEU p 57 3.120 -6.066 -2.340 1.00 0.00 H new ATOM 0 HD12 LEU p 57 1.384 -6.443 -2.228 1.00 0.00 H new ATOM 0 HD13 LEU p 57 2.492 -7.579 -3.034 1.00 0.00 H new ATOM 0 HD21 LEU p 57 4.113 -5.482 -4.548 1.00 0.00 H new ATOM 0 HD22 LEU p 57 3.457 -6.959 -5.295 1.00 0.00 H new ATOM 0 HD23 LEU p 57 3.076 -5.366 -5.989 1.00 0.00 H new ATOM 922 N ALA p 58 -1.828 -7.095 -6.107 1.00 0.00 N ATOM 923 CA ALA p 58 -2.879 -7.030 -7.148 1.00 0.00 C ATOM 924 C ALA p 58 -4.250 -6.836 -6.493 1.00 0.00 C ATOM 925 O ALA p 58 -5.213 -6.403 -7.132 1.00 0.00 O ATOM 926 CB ALA p 58 -2.888 -8.279 -8.014 1.00 0.00 C ATOM 0 H ALA p 58 -1.349 -7.994 -6.054 1.00 0.00 H new ATOM 0 HA ALA p 58 -2.659 -6.180 -7.793 1.00 0.00 H new ATOM 0 HB1 ALA p 58 -3.672 -8.195 -8.766 1.00 0.00 H new ATOM 0 HB2 ALA p 58 -1.922 -8.387 -8.507 1.00 0.00 H new ATOM 0 HB3 ALA p 58 -3.076 -9.153 -7.390 1.00 0.00 H new ATOM 932 N GLN p 59 -4.294 -7.176 -5.200 1.00 0.00 N ATOM 933 CA GLN p 59 -5.451 -7.041 -4.357 1.00 0.00 C ATOM 934 C GLN p 59 -5.375 -5.685 -3.652 1.00 0.00 C ATOM 935 O GLN p 59 -6.387 -5.124 -3.259 1.00 0.00 O ATOM 936 CB GLN p 59 -5.430 -8.198 -3.357 1.00 0.00 C ATOM 937 CG GLN p 59 -6.301 -7.993 -2.144 1.00 0.00 C ATOM 938 CD GLN p 59 -7.271 -9.132 -1.905 1.00 0.00 C ATOM 939 OE1 GLN p 59 -6.959 -10.092 -1.199 1.00 0.00 O ATOM 940 NE2 GLN p 59 -8.458 -9.035 -2.494 1.00 0.00 N ATOM 0 H GLN p 59 -3.488 -7.565 -4.710 1.00 0.00 H new ATOM 0 HA GLN p 59 -6.382 -7.079 -4.923 1.00 0.00 H new ATOM 0 HB2 GLN p 59 -5.747 -9.108 -3.867 1.00 0.00 H new ATOM 0 HB3 GLN p 59 -4.403 -8.359 -3.028 1.00 0.00 H new ATOM 0 HG2 GLN p 59 -5.667 -7.874 -1.265 1.00 0.00 H new ATOM 0 HG3 GLN p 59 -6.862 -7.065 -2.260 1.00 0.00 H new ATOM 0 HE21 GLN p 59 -8.676 -8.223 -3.071 1.00 0.00 H new ATOM 0 HE22 GLN p 59 -9.151 -9.773 -2.369 1.00 0.00 H new ATOM 949 N LEU p 60 -4.137 -5.209 -3.507 1.00 0.00 N ATOM 950 CA LEU p 60 -3.812 -3.920 -2.889 1.00 0.00 C ATOM 951 C LEU p 60 -3.856 -2.817 -3.954 1.00 0.00 C ATOM 952 O LEU p 60 -3.802 -1.627 -3.655 1.00 0.00 O ATOM 953 CB LEU p 60 -2.416 -4.001 -2.243 1.00 0.00 C ATOM 954 CG LEU p 60 -1.974 -2.821 -1.352 1.00 0.00 C ATOM 955 CD1 LEU p 60 -1.141 -1.854 -2.170 1.00 0.00 C ATOM 956 CD2 LEU p 60 -3.172 -2.106 -0.741 1.00 0.00 C ATOM 0 H LEU p 60 -3.313 -5.720 -3.823 1.00 0.00 H new ATOM 0 HA LEU p 60 -4.541 -3.683 -2.114 1.00 0.00 H new ATOM 0 HB2 LEU p 60 -2.375 -4.910 -1.642 1.00 0.00 H new ATOM 0 HB3 LEU p 60 -1.682 -4.113 -3.041 1.00 0.00 H new ATOM 0 HG LEU p 60 -1.374 -3.214 -0.531 1.00 0.00 H new ATOM 0 HD11 LEU p 60 -0.829 -1.020 -1.541 1.00 0.00 H new ATOM 0 HD12 LEU p 60 -0.260 -2.368 -2.555 1.00 0.00 H new ATOM 0 HD13 LEU p 60 -1.734 -1.477 -3.003 1.00 0.00 H new ATOM 0 HD21 LEU p 60 -2.825 -1.281 -0.120 1.00 0.00 H new ATOM 0 HD22 LEU p 60 -3.809 -1.719 -1.536 1.00 0.00 H new ATOM 0 HD23 LEU p 60 -3.741 -2.806 -0.129 1.00 0.00 H new ATOM 968 N LYS p 61 -3.939 -3.288 -5.186 1.00 0.00 N ATOM 969 CA LYS p 61 -4.029 -2.504 -6.399 1.00 0.00 C ATOM 970 C LYS p 61 -5.500 -2.390 -6.725 1.00 0.00 C ATOM 971 O LYS p 61 -5.981 -1.390 -7.265 1.00 0.00 O ATOM 972 CB LYS p 61 -3.276 -3.219 -7.518 1.00 0.00 C ATOM 973 CG LYS p 61 -1.830 -2.782 -7.654 1.00 0.00 C ATOM 974 CD LYS p 61 -1.233 -3.222 -8.981 1.00 0.00 C ATOM 975 CE LYS p 61 0.219 -2.792 -9.108 1.00 0.00 C ATOM 976 NZ LYS p 61 0.813 -3.223 -10.404 1.00 0.00 N ATOM 0 H LYS p 61 -3.946 -4.290 -5.374 1.00 0.00 H new ATOM 0 HA LYS p 61 -3.587 -1.515 -6.282 1.00 0.00 H new ATOM 0 HB2 LYS p 61 -3.306 -4.293 -7.336 1.00 0.00 H new ATOM 0 HB3 LYS p 61 -3.791 -3.041 -8.462 1.00 0.00 H new ATOM 0 HG2 LYS p 61 -1.768 -1.697 -7.569 1.00 0.00 H new ATOM 0 HG3 LYS p 61 -1.245 -3.200 -6.835 1.00 0.00 H new ATOM 0 HD2 LYS p 61 -1.302 -4.306 -9.070 1.00 0.00 H new ATOM 0 HD3 LYS p 61 -1.812 -2.797 -9.801 1.00 0.00 H new ATOM 0 HE2 LYS p 61 0.286 -1.708 -9.021 1.00 0.00 H new ATOM 0 HE3 LYS p 61 0.796 -3.214 -8.285 1.00 0.00 H new ATOM 0 HZ1 LYS p 61 1.804 -2.911 -10.453 1.00 0.00 H new ATOM 0 HZ2 LYS p 61 0.772 -4.260 -10.477 1.00 0.00 H new ATOM 0 HZ3 LYS p 61 0.278 -2.800 -11.189 1.00 0.00 H new ATOM 990 N TRP p 62 -6.188 -3.480 -6.366 1.00 0.00 N ATOM 991 CA TRP p 62 -7.629 -3.602 -6.483 1.00 0.00 C ATOM 992 C TRP p 62 -8.238 -2.899 -5.287 1.00 0.00 C ATOM 993 O TRP p 62 -9.346 -2.361 -5.358 1.00 0.00 O ATOM 994 CB TRP p 62 -8.052 -5.071 -6.519 1.00 0.00 C ATOM 995 CG TRP p 62 -8.950 -5.406 -7.675 1.00 0.00 C ATOM 996 CD1 TRP p 62 -8.563 -5.884 -8.895 1.00 0.00 C ATOM 997 CD2 TRP p 62 -10.382 -5.290 -7.726 1.00 0.00 C ATOM 998 NE1 TRP p 62 -9.661 -6.072 -9.699 1.00 0.00 N ATOM 999 CE2 TRP p 62 -10.788 -5.716 -9.007 1.00 0.00 C ATOM 1000 CE3 TRP p 62 -11.362 -4.869 -6.817 1.00 0.00 C ATOM 1001 CZ2 TRP p 62 -12.124 -5.733 -9.398 1.00 0.00 C ATOM 1002 CZ3 TRP p 62 -12.687 -4.888 -7.209 1.00 0.00 C ATOM 1003 CH2 TRP p 62 -13.057 -5.318 -8.488 1.00 0.00 C ATOM 0 H TRP p 62 -5.742 -4.312 -5.980 1.00 0.00 H new ATOM 0 HA TRP p 62 -7.974 -3.149 -7.412 1.00 0.00 H new ATOM 0 HB2 TRP p 62 -7.161 -5.697 -6.568 1.00 0.00 H new ATOM 0 HB3 TRP p 62 -8.563 -5.317 -5.588 1.00 0.00 H new ATOM 0 HD1 TRP p 62 -7.542 -6.085 -9.185 1.00 0.00 H new ATOM 0 HE1 TRP p 62 -9.640 -6.421 -10.657 1.00 0.00 H new ATOM 0 HE3 TRP p 62 -11.087 -4.536 -5.827 1.00 0.00 H new ATOM 0 HZ2 TRP p 62 -12.414 -6.062 -10.385 1.00 0.00 H new ATOM 0 HZ3 TRP p 62 -13.450 -4.565 -6.516 1.00 0.00 H new ATOM 0 HH2 TRP p 62 -14.102 -5.322 -8.763 1.00 0.00 H new ATOM 1014 N LYS p 63 -7.476 -2.921 -4.178 1.00 0.00 N ATOM 1015 CA LYS p 63 -7.873 -2.212 -2.952 1.00 0.00 C ATOM 1016 C LYS p 63 -7.437 -0.746 -3.043 1.00 0.00 C ATOM 1017 O LYS p 63 -7.866 0.087 -2.249 1.00 0.00 O ATOM 1018 CB LYS p 63 -7.289 -2.859 -1.699 1.00 0.00 C ATOM 1019 CG LYS p 63 -8.143 -3.988 -1.145 1.00 0.00 C ATOM 1020 CD LYS p 63 -7.650 -4.446 0.218 1.00 0.00 C ATOM 1021 CE LYS p 63 -8.504 -5.577 0.767 1.00 0.00 C ATOM 1022 NZ LYS p 63 -8.027 -6.035 2.101 1.00 0.00 N ATOM 0 H LYS p 63 -6.589 -3.419 -4.107 1.00 0.00 H new ATOM 0 HA LYS p 63 -8.958 -2.271 -2.869 1.00 0.00 H new ATOM 0 HB2 LYS p 63 -6.296 -3.244 -1.928 1.00 0.00 H new ATOM 0 HB3 LYS p 63 -7.165 -2.097 -0.930 1.00 0.00 H new ATOM 0 HG2 LYS p 63 -9.178 -3.656 -1.065 1.00 0.00 H new ATOM 0 HG3 LYS p 63 -8.130 -4.829 -1.839 1.00 0.00 H new ATOM 0 HD2 LYS p 63 -6.614 -4.776 0.140 1.00 0.00 H new ATOM 0 HD3 LYS p 63 -7.666 -3.606 0.913 1.00 0.00 H new ATOM 0 HE2 LYS p 63 -9.539 -5.245 0.846 1.00 0.00 H new ATOM 0 HE3 LYS p 63 -8.490 -6.414 0.069 1.00 0.00 H new ATOM 0 HZ1 LYS p 63 -8.635 -6.807 2.441 1.00 0.00 H new ATOM 0 HZ2 LYS p 63 -7.048 -6.376 2.021 1.00 0.00 H new ATOM 0 HZ3 LYS p 63 -8.064 -5.243 2.774 1.00 0.00 H new ATOM 1036 N LEU p 64 -6.556 -0.477 -4.024 1.00 0.00 N ATOM 1037 CA LEU p 64 -6.018 0.847 -4.325 1.00 0.00 C ATOM 1038 C LEU p 64 -6.972 1.619 -5.232 1.00 0.00 C ATOM 1039 O LEU p 64 -7.012 2.838 -5.232 1.00 0.00 O ATOM 1040 CB LEU p 64 -4.662 0.671 -5.024 1.00 0.00 C ATOM 1041 CG LEU p 64 -4.176 1.831 -5.887 1.00 0.00 C ATOM 1042 CD1 LEU p 64 -3.855 3.011 -5.010 1.00 0.00 C ATOM 1043 CD2 LEU p 64 -2.982 1.401 -6.715 1.00 0.00 C ATOM 0 H LEU p 64 -6.193 -1.202 -4.643 1.00 0.00 H new ATOM 0 HA LEU p 64 -5.897 1.412 -3.401 1.00 0.00 H new ATOM 0 HB2 LEU p 64 -3.909 0.477 -4.260 1.00 0.00 H new ATOM 0 HB3 LEU p 64 -4.716 -0.219 -5.651 1.00 0.00 H new ATOM 0 HG LEU p 64 -4.962 2.131 -6.580 1.00 0.00 H new ATOM 0 HD11 LEU p 64 -3.508 3.839 -5.627 1.00 0.00 H new ATOM 0 HD12 LEU p 64 -4.750 3.314 -4.466 1.00 0.00 H new ATOM 0 HD13 LEU p 64 -3.075 2.735 -4.300 1.00 0.00 H new ATOM 0 HD21 LEU p 64 -2.644 2.237 -7.327 1.00 0.00 H new ATOM 0 HD22 LEU p 64 -2.175 1.086 -6.054 1.00 0.00 H new ATOM 0 HD23 LEU p 64 -3.267 0.571 -7.361 1.00 0.00 H new ATOM 1055 N GLN p 65 -7.648 0.832 -6.034 1.00 0.00 N ATOM 1056 CA GLN p 65 -8.666 1.220 -6.981 1.00 0.00 C ATOM 1057 C GLN p 65 -9.974 1.307 -6.205 1.00 0.00 C ATOM 1058 O GLN p 65 -10.944 1.916 -6.634 1.00 0.00 O ATOM 1059 CB GLN p 65 -8.711 0.142 -8.074 1.00 0.00 C ATOM 1060 CG GLN p 65 -10.042 0.005 -8.782 1.00 0.00 C ATOM 1061 CD GLN p 65 -9.914 -0.020 -10.293 1.00 0.00 C ATOM 1062 OE1 GLN p 65 -9.757 -1.081 -10.898 1.00 0.00 O ATOM 1063 NE2 GLN p 65 -9.980 1.154 -10.912 1.00 0.00 N ATOM 0 H GLN p 65 -7.488 -0.175 -6.042 1.00 0.00 H new ATOM 0 HA GLN p 65 -8.474 2.181 -7.458 1.00 0.00 H new ATOM 0 HB2 GLN p 65 -7.943 0.365 -8.815 1.00 0.00 H new ATOM 0 HB3 GLN p 65 -8.453 -0.818 -7.627 1.00 0.00 H new ATOM 0 HG2 GLN p 65 -10.531 -0.911 -8.450 1.00 0.00 H new ATOM 0 HG3 GLN p 65 -10.688 0.834 -8.492 1.00 0.00 H new ATOM 0 HE21 GLN p 65 -10.111 2.009 -10.371 1.00 0.00 H new ATOM 0 HE22 GLN p 65 -9.900 1.200 -11.928 1.00 0.00 H new ATOM 1072 N ALA p 66 -9.923 0.645 -5.053 1.00 0.00 N ATOM 1073 CA ALA p 66 -10.997 0.594 -4.068 1.00 0.00 C ATOM 1074 C ALA p 66 -10.706 1.679 -3.054 1.00 0.00 C ATOM 1075 O ALA p 66 -11.565 2.091 -2.281 1.00 0.00 O ATOM 1076 CB ALA p 66 -11.077 -0.768 -3.396 1.00 0.00 C ATOM 0 H ALA p 66 -9.102 0.110 -4.770 1.00 0.00 H new ATOM 0 HA ALA p 66 -11.962 0.752 -4.549 1.00 0.00 H new ATOM 0 HB1 ALA p 66 -11.889 -0.768 -2.669 1.00 0.00 H new ATOM 0 HB2 ALA p 66 -11.264 -1.534 -4.148 1.00 0.00 H new ATOM 0 HB3 ALA p 66 -10.136 -0.979 -2.889 1.00 0.00 H new ATOM 1082 N LEU p 67 -9.429 2.097 -3.092 1.00 0.00 N ATOM 1083 CA LEU p 67 -8.882 3.181 -2.293 1.00 0.00 C ATOM 1084 C LEU p 67 -9.085 4.443 -3.120 1.00 0.00 C ATOM 1085 O LEU p 67 -9.459 5.492 -2.616 1.00 0.00 O ATOM 1086 CB LEU p 67 -7.378 2.917 -2.024 1.00 0.00 C ATOM 1087 CG LEU p 67 -6.561 3.928 -1.173 1.00 0.00 C ATOM 1088 CD1 LEU p 67 -5.376 4.418 -1.984 1.00 0.00 C ATOM 1089 CD2 LEU p 67 -7.391 5.110 -0.717 1.00 0.00 C ATOM 0 H LEU p 67 -8.735 1.668 -3.704 1.00 0.00 H new ATOM 0 HA LEU p 67 -9.368 3.273 -1.322 1.00 0.00 H new ATOM 0 HB2 LEU p 67 -7.299 1.944 -1.539 1.00 0.00 H new ATOM 0 HB3 LEU p 67 -6.884 2.831 -2.992 1.00 0.00 H new ATOM 0 HG LEU p 67 -6.225 3.408 -0.276 1.00 0.00 H new ATOM 0 HD11 LEU p 67 -4.799 5.128 -1.392 1.00 0.00 H new ATOM 0 HD12 LEU p 67 -4.744 3.571 -2.253 1.00 0.00 H new ATOM 0 HD13 LEU p 67 -5.733 4.907 -2.890 1.00 0.00 H new ATOM 0 HD21 LEU p 67 -6.770 5.784 -0.127 1.00 0.00 H new ATOM 0 HD22 LEU p 67 -7.777 5.641 -1.587 1.00 0.00 H new ATOM 0 HD23 LEU p 67 -8.224 4.757 -0.109 1.00 0.00 H new ATOM 1101 N LYS p 68 -8.829 4.271 -4.413 1.00 0.00 N ATOM 1102 CA LYS p 68 -9.002 5.310 -5.429 1.00 0.00 C ATOM 1103 C LYS p 68 -10.477 5.487 -5.700 1.00 0.00 C ATOM 1104 O LYS p 68 -10.906 6.560 -6.108 1.00 0.00 O ATOM 1105 CB LYS p 68 -8.257 4.995 -6.725 1.00 0.00 C ATOM 1106 CG LYS p 68 -6.817 5.484 -6.734 1.00 0.00 C ATOM 1107 CD LYS p 68 -6.166 5.273 -8.092 1.00 0.00 C ATOM 1108 CE LYS p 68 -4.753 5.834 -8.127 1.00 0.00 C ATOM 1109 NZ LYS p 68 -4.108 5.631 -9.453 1.00 0.00 N ATOM 0 H LYS p 68 -8.488 3.388 -4.794 1.00 0.00 H new ATOM 0 HA LYS p 68 -8.573 6.235 -5.043 1.00 0.00 H new ATOM 0 HB2 LYS p 68 -8.267 3.917 -6.887 1.00 0.00 H new ATOM 0 HB3 LYS p 68 -8.791 5.448 -7.560 1.00 0.00 H new ATOM 0 HG2 LYS p 68 -6.789 6.543 -6.477 1.00 0.00 H new ATOM 0 HG3 LYS p 68 -6.247 4.955 -5.970 1.00 0.00 H new ATOM 0 HD2 LYS p 68 -6.141 4.208 -8.323 1.00 0.00 H new ATOM 0 HD3 LYS p 68 -6.768 5.753 -8.864 1.00 0.00 H new ATOM 0 HE2 LYS p 68 -4.779 6.899 -7.895 1.00 0.00 H new ATOM 0 HE3 LYS p 68 -4.153 5.354 -7.354 1.00 0.00 H new ATOM 0 HZ1 LYS p 68 -3.147 6.027 -9.436 1.00 0.00 H new ATOM 0 HZ2 LYS p 68 -4.060 4.614 -9.663 1.00 0.00 H new ATOM 0 HZ3 LYS p 68 -4.667 6.110 -10.188 1.00 0.00 H new ATOM 1123 N LYS p 69 -11.240 4.397 -5.495 1.00 0.00 N ATOM 1124 CA LYS p 69 -12.695 4.447 -5.594 1.00 0.00 C ATOM 1125 C LYS p 69 -13.220 4.983 -4.268 1.00 0.00 C ATOM 1126 O LYS p 69 -14.368 5.414 -4.159 1.00 0.00 O ATOM 1127 CB LYS p 69 -13.290 3.076 -5.887 1.00 0.00 C ATOM 1128 CG LYS p 69 -13.727 2.897 -7.329 1.00 0.00 C ATOM 1129 CD LYS p 69 -14.789 1.815 -7.462 1.00 0.00 C ATOM 1130 CE LYS p 69 -15.242 1.641 -8.905 1.00 0.00 C ATOM 1131 NZ LYS p 69 -14.211 0.959 -9.741 1.00 0.00 N ATOM 0 H LYS p 69 -10.866 3.477 -5.261 1.00 0.00 H new ATOM 0 HA LYS p 69 -12.986 5.094 -6.422 1.00 0.00 H new ATOM 0 HB2 LYS p 69 -12.554 2.310 -5.642 1.00 0.00 H new ATOM 0 HB3 LYS p 69 -14.148 2.915 -5.234 1.00 0.00 H new ATOM 0 HG2 LYS p 69 -14.118 3.840 -7.711 1.00 0.00 H new ATOM 0 HG3 LYS p 69 -12.864 2.638 -7.942 1.00 0.00 H new ATOM 0 HD2 LYS p 69 -14.394 0.870 -7.089 1.00 0.00 H new ATOM 0 HD3 LYS p 69 -15.647 2.070 -6.840 1.00 0.00 H new ATOM 0 HE2 LYS p 69 -16.166 1.063 -8.927 1.00 0.00 H new ATOM 0 HE3 LYS p 69 -15.467 2.618 -9.334 1.00 0.00 H new ATOM 0 HZ1 LYS p 69 -14.562 0.862 -10.715 1.00 0.00 H new ATOM 0 HZ2 LYS p 69 -13.337 1.523 -9.743 1.00 0.00 H new ATOM 0 HZ3 LYS p 69 -14.014 0.016 -9.349 1.00 0.00 H new ATOM 1145 N LYS p 70 -12.325 4.917 -3.267 1.00 0.00 N ATOM 1146 CA LYS p 70 -12.553 5.434 -1.927 1.00 0.00 C ATOM 1147 C LYS p 70 -12.029 6.859 -1.880 1.00 0.00 C ATOM 1148 O LYS p 70 -12.438 7.661 -1.046 1.00 0.00 O ATOM 1149 CB LYS p 70 -11.838 4.586 -0.889 1.00 0.00 C ATOM 1150 CG LYS p 70 -12.763 3.739 -0.030 1.00 0.00 C ATOM 1151 CD LYS p 70 -13.093 4.423 1.289 1.00 0.00 C ATOM 1152 CE LYS p 70 -14.014 3.569 2.144 1.00 0.00 C ATOM 1153 NZ LYS p 70 -14.341 4.229 3.439 1.00 0.00 N ATOM 0 H LYS p 70 -11.405 4.491 -3.381 1.00 0.00 H new ATOM 0 HA LYS p 70 -13.619 5.407 -1.700 1.00 0.00 H new ATOM 0 HB2 LYS p 70 -11.131 3.930 -1.397 1.00 0.00 H new ATOM 0 HB3 LYS p 70 -11.256 5.241 -0.240 1.00 0.00 H new ATOM 0 HG2 LYS p 70 -13.685 3.539 -0.576 1.00 0.00 H new ATOM 0 HG3 LYS p 70 -12.294 2.775 0.168 1.00 0.00 H new ATOM 0 HD2 LYS p 70 -12.172 4.626 1.835 1.00 0.00 H new ATOM 0 HD3 LYS p 70 -13.566 5.385 1.093 1.00 0.00 H new ATOM 0 HE2 LYS p 70 -14.935 3.368 1.596 1.00 0.00 H new ATOM 0 HE3 LYS p 70 -13.541 2.606 2.337 1.00 0.00 H new ATOM 0 HZ1 LYS p 70 -14.971 3.614 3.993 1.00 0.00 H new ATOM 0 HZ2 LYS p 70 -13.465 4.398 3.973 1.00 0.00 H new ATOM 0 HZ3 LYS p 70 -14.815 5.136 3.256 1.00 0.00 H new ATOM 1167 N ASN p 71 -11.078 7.117 -2.790 1.00 0.00 N ATOM 1168 CA ASN p 71 -10.466 8.434 -2.984 1.00 0.00 C ATOM 1169 C ASN p 71 -11.299 9.192 -4.012 1.00 0.00 C ATOM 1170 O ASN p 71 -11.159 10.398 -4.181 1.00 0.00 O ATOM 1171 CB ASN p 71 -9.014 8.319 -3.456 1.00 0.00 C ATOM 1172 CG ASN p 71 -8.152 9.469 -2.966 1.00 0.00 C ATOM 1173 OD1 ASN p 71 -7.551 9.395 -1.894 1.00 0.00 O ATOM 1174 ND2 ASN p 71 -8.091 10.539 -3.750 1.00 0.00 N ATOM 0 H ASN p 71 -10.709 6.404 -3.420 1.00 0.00 H new ATOM 0 HA ASN p 71 -10.448 8.967 -2.034 1.00 0.00 H new ATOM 0 HB2 ASN p 71 -8.594 7.377 -3.103 1.00 0.00 H new ATOM 0 HB3 ASN p 71 -8.990 8.290 -4.545 1.00 0.00 H new ATOM 0 HD21 ASN p 71 -7.529 11.344 -3.472 1.00 0.00 H new ATOM 0 HD22 ASN p 71 -8.606 10.556 -4.630 1.00 0.00 H new ATOM 1181 N ALA p 72 -12.141 8.408 -4.707 1.00 0.00 N ATOM 1182 CA ALA p 72 -13.109 8.881 -5.689 1.00 0.00 C ATOM 1183 C ALA p 72 -14.397 9.085 -4.936 1.00 0.00 C ATOM 1184 O ALA p 72 -15.287 9.812 -5.362 1.00 0.00 O ATOM 1185 CB ALA p 72 -13.309 7.890 -6.827 1.00 0.00 C ATOM 0 H ALA p 72 -12.160 7.395 -4.590 1.00 0.00 H new ATOM 0 HA ALA p 72 -12.756 9.801 -6.155 1.00 0.00 H new ATOM 0 HB1 ALA p 72 -14.039 8.288 -7.532 1.00 0.00 H new ATOM 0 HB2 ALA p 72 -12.361 7.728 -7.339 1.00 0.00 H new ATOM 0 HB3 ALA p 72 -13.671 6.943 -6.426 1.00 0.00 H new ATOM 1191 N GLN p 73 -14.450 8.372 -3.794 1.00 0.00 N ATOM 1192 CA GLN p 73 -15.506 8.420 -2.836 1.00 0.00 C ATOM 1193 C GLN p 73 -15.218 9.601 -1.940 1.00 0.00 C ATOM 1194 O GLN p 73 -16.109 10.282 -1.453 1.00 0.00 O ATOM 1195 CB GLN p 73 -15.430 7.139 -2.049 1.00 0.00 C ATOM 1196 CG GLN p 73 -16.521 6.970 -1.053 1.00 0.00 C ATOM 1197 CD GLN p 73 -17.462 5.827 -1.374 1.00 0.00 C ATOM 1198 OE1 GLN p 73 -17.245 4.691 -0.951 1.00 0.00 O ATOM 1199 NE2 GLN p 73 -18.515 6.121 -2.128 1.00 0.00 N ATOM 0 H GLN p 73 -13.709 7.724 -3.527 1.00 0.00 H new ATOM 0 HA GLN p 73 -16.494 8.523 -3.284 1.00 0.00 H new ATOM 0 HB2 GLN p 73 -15.453 6.298 -2.742 1.00 0.00 H new ATOM 0 HB3 GLN p 73 -14.471 7.100 -1.531 1.00 0.00 H new ATOM 0 HG2 GLN p 73 -16.081 6.803 -0.070 1.00 0.00 H new ATOM 0 HG3 GLN p 73 -17.094 7.895 -0.993 1.00 0.00 H new ATOM 0 HE21 GLN p 73 -18.656 7.076 -2.457 1.00 0.00 H new ATOM 0 HE22 GLN p 73 -19.183 5.392 -2.378 1.00 0.00 H new ATOM 1208 N LEU p 74 -13.913 9.750 -1.717 1.00 0.00 N ATOM 1209 CA LEU p 74 -13.325 10.844 -0.958 1.00 0.00 C ATOM 1210 C LEU p 74 -13.309 12.076 -1.843 1.00 0.00 C ATOM 1211 O LEU p 74 -13.392 13.184 -1.373 1.00 0.00 O ATOM 1212 CB LEU p 74 -11.906 10.484 -0.525 1.00 0.00 C ATOM 1213 CG LEU p 74 -11.344 11.212 0.699 1.00 0.00 C ATOM 1214 CD1 LEU p 74 -11.945 10.683 1.999 1.00 0.00 C ATOM 1215 CD2 LEU p 74 -9.840 11.049 0.706 1.00 0.00 C ATOM 0 H LEU p 74 -13.219 9.092 -2.071 1.00 0.00 H new ATOM 0 HA LEU p 74 -13.912 11.036 -0.059 1.00 0.00 H new ATOM 0 HB2 LEU p 74 -11.875 9.413 -0.325 1.00 0.00 H new ATOM 0 HB3 LEU p 74 -11.238 10.671 -1.366 1.00 0.00 H new ATOM 0 HG LEU p 74 -11.609 12.267 0.635 1.00 0.00 H new ATOM 0 HD11 LEU p 74 -11.520 11.226 2.844 1.00 0.00 H new ATOM 0 HD12 LEU p 74 -13.026 10.824 1.984 1.00 0.00 H new ATOM 0 HD13 LEU p 74 -11.719 9.621 2.099 1.00 0.00 H new ATOM 0 HD21 LEU p 74 -9.422 11.562 1.572 1.00 0.00 H new ATOM 0 HD22 LEU p 74 -9.589 9.989 0.756 1.00 0.00 H new ATOM 0 HD23 LEU p 74 -9.423 11.478 -0.205 1.00 0.00 H new ATOM 1227 N LYS p 75 -13.230 11.826 -3.147 1.00 0.00 N ATOM 1228 CA LYS p 75 -13.267 12.870 -4.170 1.00 0.00 C ATOM 1229 C LYS p 75 -14.724 13.180 -4.408 1.00 0.00 C ATOM 1230 O LYS p 75 -15.093 14.238 -4.923 1.00 0.00 O ATOM 1231 CB LYS p 75 -12.614 12.398 -5.463 1.00 0.00 C ATOM 1232 CG LYS p 75 -11.425 13.233 -5.908 1.00 0.00 C ATOM 1233 CD LYS p 75 -11.745 14.038 -7.160 1.00 0.00 C ATOM 1234 CE LYS p 75 -10.554 14.867 -7.618 1.00 0.00 C ATOM 1235 NZ LYS p 75 -10.316 16.046 -6.737 1.00 0.00 N ATOM 0 H LYS p 75 -13.138 10.884 -3.528 1.00 0.00 H new ATOM 0 HA LYS p 75 -12.716 13.751 -3.840 1.00 0.00 H new ATOM 0 HB2 LYS p 75 -12.290 11.365 -5.336 1.00 0.00 H new ATOM 0 HB3 LYS p 75 -13.362 12.402 -6.256 1.00 0.00 H new ATOM 0 HG2 LYS p 75 -11.133 13.909 -5.104 1.00 0.00 H new ATOM 0 HG3 LYS p 75 -10.573 12.581 -6.101 1.00 0.00 H new ATOM 0 HD2 LYS p 75 -12.046 13.362 -7.960 1.00 0.00 H new ATOM 0 HD3 LYS p 75 -12.592 14.696 -6.963 1.00 0.00 H new ATOM 0 HE2 LYS p 75 -9.662 14.241 -7.633 1.00 0.00 H new ATOM 0 HE3 LYS p 75 -10.722 15.207 -8.640 1.00 0.00 H new ATOM 0 HZ1 LYS p 75 -9.496 16.581 -7.087 1.00 0.00 H new ATOM 0 HZ2 LYS p 75 -11.157 16.658 -6.742 1.00 0.00 H new ATOM 0 HZ3 LYS p 75 -10.130 15.722 -5.766 1.00 0.00 H new ATOM 1249 N LYS p 76 -15.538 12.195 -4.003 1.00 0.00 N ATOM 1250 CA LYS p 76 -16.988 12.300 -4.062 1.00 0.00 C ATOM 1251 C LYS p 76 -17.461 12.908 -2.763 1.00 0.00 C ATOM 1252 O LYS p 76 -18.463 13.628 -2.719 1.00 0.00 O ATOM 1253 CB LYS p 76 -17.635 10.938 -4.274 1.00 0.00 C ATOM 1254 CG LYS p 76 -18.194 10.724 -5.672 1.00 0.00 C ATOM 1255 CD LYS p 76 -19.682 11.029 -5.736 1.00 0.00 C ATOM 1256 CE LYS p 76 -20.243 10.785 -7.127 1.00 0.00 C ATOM 1257 NZ LYS p 76 -21.707 11.051 -7.192 1.00 0.00 N ATOM 0 H LYS p 76 -15.203 11.308 -3.627 1.00 0.00 H new ATOM 0 HA LYS p 76 -17.275 12.926 -4.907 1.00 0.00 H new ATOM 0 HB2 LYS p 76 -16.898 10.162 -4.067 1.00 0.00 H new ATOM 0 HB3 LYS p 76 -18.440 10.814 -3.550 1.00 0.00 H new ATOM 0 HG2 LYS p 76 -17.661 11.361 -6.378 1.00 0.00 H new ATOM 0 HG3 LYS p 76 -18.020 9.693 -5.979 1.00 0.00 H new ATOM 0 HD2 LYS p 76 -20.213 10.408 -5.015 1.00 0.00 H new ATOM 0 HD3 LYS p 76 -19.854 12.067 -5.450 1.00 0.00 H new ATOM 0 HE2 LYS p 76 -19.726 11.423 -7.844 1.00 0.00 H new ATOM 0 HE3 LYS p 76 -20.048 9.754 -7.421 1.00 0.00 H new ATOM 0 HZ1 LYS p 76 -22.050 10.873 -8.158 1.00 0.00 H new ATOM 0 HZ2 LYS p 76 -22.204 10.424 -6.527 1.00 0.00 H new ATOM 0 HZ3 LYS p 76 -21.891 12.042 -6.937 1.00 0.00 H new ATOM 1271 N LYS p 77 -16.710 12.596 -1.699 1.00 0.00 N ATOM 1272 CA LYS p 77 -16.980 13.146 -0.379 1.00 0.00 C ATOM 1273 C LYS p 77 -16.288 14.494 -0.227 1.00 0.00 C ATOM 1274 O LYS p 77 -16.652 15.294 0.640 1.00 0.00 O ATOM 1275 CB LYS p 77 -16.521 12.185 0.713 1.00 0.00 C ATOM 1276 CG LYS p 77 -17.655 11.435 1.402 1.00 0.00 C ATOM 1277 CD LYS p 77 -18.160 12.179 2.633 1.00 0.00 C ATOM 1278 CE LYS p 77 -19.292 11.427 3.320 1.00 0.00 C ATOM 1279 NZ LYS p 77 -20.570 11.511 2.556 1.00 0.00 N ATOM 0 H LYS p 77 -15.911 11.964 -1.734 1.00 0.00 H new ATOM 0 HA LYS p 77 -18.056 13.286 -0.275 1.00 0.00 H new ATOM 0 HB2 LYS p 77 -15.833 11.460 0.278 1.00 0.00 H new ATOM 0 HB3 LYS p 77 -15.962 12.745 1.463 1.00 0.00 H new ATOM 0 HG2 LYS p 77 -18.477 11.294 0.700 1.00 0.00 H new ATOM 0 HG3 LYS p 77 -17.310 10.443 1.693 1.00 0.00 H new ATOM 0 HD2 LYS p 77 -17.338 12.321 3.335 1.00 0.00 H new ATOM 0 HD3 LYS p 77 -18.506 13.171 2.342 1.00 0.00 H new ATOM 0 HE2 LYS p 77 -19.011 10.381 3.440 1.00 0.00 H new ATOM 0 HE3 LYS p 77 -19.441 11.834 4.320 1.00 0.00 H new ATOM 0 HZ1 LYS p 77 -21.312 10.985 3.061 1.00 0.00 H new ATOM 0 HZ2 LYS p 77 -20.854 12.507 2.463 1.00 0.00 H new ATOM 0 HZ3 LYS p 77 -20.437 11.099 1.610 1.00 0.00 H new ATOM 1293 N LEU p 78 -15.279 14.731 -1.086 1.00 0.00 N ATOM 1294 CA LEU p 78 -14.528 15.994 -1.093 1.00 0.00 C ATOM 1295 C LEU p 78 -15.431 17.208 -1.318 1.00 0.00 C ATOM 1296 O LEU p 78 -15.513 18.108 -0.478 1.00 0.00 O ATOM 1297 CB LEU p 78 -13.473 15.949 -2.201 1.00 0.00 C ATOM 1298 CG LEU p 78 -12.015 15.906 -1.750 1.00 0.00 C ATOM 1299 CD1 LEU p 78 -11.121 15.617 -2.940 1.00 0.00 C ATOM 1300 CD2 LEU p 78 -11.621 17.218 -1.099 1.00 0.00 C ATOM 0 H LEU p 78 -14.966 14.059 -1.786 1.00 0.00 H new ATOM 0 HA LEU p 78 -14.062 16.102 -0.114 1.00 0.00 H new ATOM 0 HB2 LEU p 78 -13.665 15.072 -2.820 1.00 0.00 H new ATOM 0 HB3 LEU p 78 -13.608 16.824 -2.837 1.00 0.00 H new ATOM 0 HG LEU p 78 -11.896 15.111 -1.014 1.00 0.00 H new ATOM 0 HD11 LEU p 78 -10.081 15.587 -2.615 1.00 0.00 H new ATOM 0 HD12 LEU p 78 -11.393 14.655 -3.375 1.00 0.00 H new ATOM 0 HD13 LEU p 78 -11.245 16.401 -3.687 1.00 0.00 H new ATOM 0 HD21 LEU p 78 -10.579 17.169 -0.784 1.00 0.00 H new ATOM 0 HD22 LEU p 78 -11.746 18.031 -1.814 1.00 0.00 H new ATOM 0 HD23 LEU p 78 -12.255 17.398 -0.231 1.00 0.00 H new ATOM 1312 N GLN p 79 -16.092 17.198 -2.464 1.00 0.00 N ATOM 1313 CA GLN p 79 -17.014 18.249 -2.873 1.00 0.00 C ATOM 1314 C GLN p 79 -18.452 17.923 -2.473 1.00 0.00 C ATOM 1315 O GLN p 79 -19.190 18.788 -1.995 1.00 0.00 O ATOM 1316 CB GLN p 79 -16.922 18.475 -4.392 1.00 0.00 C ATOM 1317 CG GLN p 79 -16.683 17.216 -5.229 1.00 0.00 C ATOM 1318 CD GLN p 79 -16.581 17.513 -6.712 1.00 0.00 C ATOM 1319 OE1 GLN p 79 -15.497 17.772 -7.233 1.00 0.00 O ATOM 1320 NE2 GLN p 79 -17.717 17.479 -7.401 1.00 0.00 N ATOM 0 H GLN p 79 -16.003 16.447 -3.149 1.00 0.00 H new ATOM 0 HA GLN p 79 -16.725 19.164 -2.356 1.00 0.00 H new ATOM 0 HB2 GLN p 79 -17.846 18.945 -4.729 1.00 0.00 H new ATOM 0 HB3 GLN p 79 -16.115 19.181 -4.589 1.00 0.00 H new ATOM 0 HG2 GLN p 79 -15.766 16.731 -4.895 1.00 0.00 H new ATOM 0 HG3 GLN p 79 -17.497 16.511 -5.058 1.00 0.00 H new ATOM 0 HE21 GLN p 79 -18.594 17.260 -6.928 1.00 0.00 H new ATOM 0 HE22 GLN p 79 -17.712 17.672 -8.403 1.00 0.00 H new ATOM 1329 N ALA p 80 -18.823 16.653 -2.676 1.00 0.00 N ATOM 1330 CA ALA p 80 -20.168 16.114 -2.364 1.00 0.00 C ATOM 1331 C ALA p 80 -21.275 16.814 -3.165 1.00 0.00 C ATOM 1332 O ALA p 80 -21.888 16.147 -4.026 1.00 0.00 O ATOM 1333 CB ALA p 80 -20.464 16.176 -0.862 1.00 0.00 C ATOM 1334 OXT ALA p 80 -21.512 18.020 -2.933 1.00 0.00 O ATOM 0 H ALA p 80 -18.193 15.953 -3.068 1.00 0.00 H new ATOM 0 HA ALA p 80 -20.160 15.067 -2.666 1.00 0.00 H new ATOM 0 HB1 ALA p 80 -21.458 15.773 -0.670 1.00 0.00 H new ATOM 0 HB2 ALA p 80 -19.723 15.588 -0.321 1.00 0.00 H new ATOM 0 HB3 ALA p 80 -20.421 17.212 -0.525 1.00 0.00 H new