USER MOD reduce.3.24.130724 H: found=0, std=0, add=244, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 244 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ASN : amide:sc= 0.208 K(o=0.21,f=-3.2!) USER MOD Single : A 1 ASN N :NH3+ 163:sc= 0.417 (180deg=0.238) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -0.0106 X(o=-0.011,f=-0.5) USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=-0.038) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.0244 USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 -18.086 -2.593 -12.925 1.00 0.00 N ATOM 2 CA ASN A 1 -16.878 -2.728 -12.067 1.00 0.00 C ATOM 3 C ASN A 1 -15.634 -2.948 -12.939 1.00 0.00 C ATOM 4 O ASN A 1 -15.146 -4.070 -13.064 1.00 0.00 O ATOM 5 CB ASN A 1 -17.038 -3.845 -11.001 1.00 0.00 C ATOM 6 CG ASN A 1 -18.182 -3.589 -10.016 1.00 0.00 C ATOM 7 OD1 ASN A 1 -19.300 -3.276 -10.406 1.00 0.00 O ATOM 8 ND2 ASN A 1 -17.964 -3.727 -8.723 1.00 0.00 N ATOM 0 H1 ASN A 1 -18.939 -2.733 -12.347 1.00 0.00 H new ATOM 0 H2 ASN A 1 -18.107 -1.643 -13.349 1.00 0.00 H new ATOM 0 H3 ASN A 1 -18.058 -3.308 -13.680 1.00 0.00 H new ATOM 0 HA ASN A 1 -16.752 -1.797 -11.515 1.00 0.00 H new ATOM 0 HB2 ASN A 1 -17.209 -4.796 -11.505 1.00 0.00 H new ATOM 0 HB3 ASN A 1 -16.105 -3.942 -10.445 1.00 0.00 H new ATOM 0 HD21 ASN A 1 -18.723 -3.573 -8.059 1.00 0.00 H new ATOM 0 HD22 ASN A 1 -17.037 -3.987 -8.387 1.00 0.00 H new ATOM 17 N GLU A 2 -15.106 -1.881 -13.553 1.00 0.00 N ATOM 18 CA GLU A 2 -13.876 -1.916 -14.367 1.00 0.00 C ATOM 19 C GLU A 2 -12.822 -0.970 -13.768 1.00 0.00 C ATOM 20 O GLU A 2 -11.859 -1.429 -13.151 1.00 0.00 O ATOM 21 CB GLU A 2 -14.208 -1.617 -15.843 1.00 0.00 C ATOM 22 CG GLU A 2 -13.047 -1.977 -16.784 1.00 0.00 C ATOM 23 CD GLU A 2 -13.323 -1.517 -18.230 1.00 0.00 C ATOM 24 OE1 GLU A 2 -14.232 -2.076 -18.893 1.00 0.00 O ATOM 25 OE2 GLU A 2 -12.625 -0.597 -18.722 1.00 0.00 O ATOM 0 H GLU A 2 -15.525 -0.953 -13.499 1.00 0.00 H new ATOM 0 HA GLU A 2 -13.440 -2.915 -14.348 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -15.097 -2.177 -16.134 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -14.448 -0.559 -15.953 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -12.129 -1.513 -16.423 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -12.887 -3.055 -16.769 1.00 0.00 H new ATOM 32 N GLN A 3 -13.034 0.350 -13.864 1.00 0.00 N ATOM 33 CA GLN A 3 -12.144 1.356 -13.268 1.00 0.00 C ATOM 34 C GLN A 3 -12.050 1.262 -11.733 1.00 0.00 C ATOM 35 O GLN A 3 -11.011 1.585 -11.167 1.00 0.00 O ATOM 36 CB GLN A 3 -12.556 2.772 -13.717 1.00 0.00 C ATOM 37 CG GLN A 3 -13.851 3.301 -13.068 1.00 0.00 C ATOM 38 CD GLN A 3 -14.261 4.694 -13.553 1.00 0.00 C ATOM 39 OE1 GLN A 3 -13.502 5.446 -14.155 1.00 0.00 O ATOM 40 NE2 GLN A 3 -15.484 5.107 -13.293 1.00 0.00 N ATOM 0 H GLN A 3 -13.830 0.751 -14.359 1.00 0.00 H new ATOM 0 HA GLN A 3 -11.141 1.142 -13.638 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -11.743 3.462 -13.489 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -12.681 2.773 -14.800 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -14.661 2.602 -13.274 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -13.720 3.327 -11.986 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -16.132 4.498 -12.794 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -15.783 6.036 -13.591 1.00 0.00 H new ATOM 49 N GLU A 4 -13.107 0.801 -11.051 1.00 0.00 N ATOM 50 CA GLU A 4 -13.168 0.702 -9.580 1.00 0.00 C ATOM 51 C GLU A 4 -12.149 -0.302 -9.017 1.00 0.00 C ATOM 52 O GLU A 4 -11.536 -0.058 -7.976 1.00 0.00 O ATOM 53 CB GLU A 4 -14.581 0.311 -9.121 1.00 0.00 C ATOM 54 CG GLU A 4 -15.641 1.353 -9.510 1.00 0.00 C ATOM 55 CD GLU A 4 -17.006 1.065 -8.850 1.00 0.00 C ATOM 56 OE1 GLU A 4 -17.463 -0.103 -8.866 1.00 0.00 O ATOM 57 OE2 GLU A 4 -17.644 2.014 -8.330 1.00 0.00 O ATOM 0 H GLU A 4 -13.959 0.480 -11.510 1.00 0.00 H new ATOM 0 HA GLU A 4 -12.915 1.688 -9.191 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -14.847 -0.652 -9.557 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -14.584 0.182 -8.039 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -15.299 2.345 -9.216 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -15.758 1.364 -10.594 1.00 0.00 H new ATOM 64 N LEU A 5 -11.949 -1.426 -9.717 1.00 0.00 N ATOM 65 CA LEU A 5 -10.941 -2.433 -9.377 1.00 0.00 C ATOM 66 C LEU A 5 -9.529 -1.847 -9.534 1.00 0.00 C ATOM 67 O LEU A 5 -8.697 -1.980 -8.635 1.00 0.00 O ATOM 68 CB LEU A 5 -11.149 -3.683 -10.262 1.00 0.00 C ATOM 69 CG LEU A 5 -12.062 -4.734 -9.601 1.00 0.00 C ATOM 70 CD1 LEU A 5 -12.627 -5.694 -10.649 1.00 0.00 C ATOM 71 CD2 LEU A 5 -11.289 -5.561 -8.570 1.00 0.00 C ATOM 0 H LEU A 5 -12.492 -1.663 -10.547 1.00 0.00 H new ATOM 0 HA LEU A 5 -11.051 -2.732 -8.335 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -11.581 -3.380 -11.216 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -10.181 -4.134 -10.480 1.00 0.00 H new ATOM 0 HG LEU A 5 -12.872 -4.194 -9.111 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -13.269 -6.428 -10.162 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -13.208 -5.133 -11.381 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -11.807 -6.206 -11.153 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -11.956 -6.295 -8.118 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -10.463 -6.075 -9.061 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -10.897 -4.902 -7.795 1.00 0.00 H new ATOM 83 N LEU A 6 -9.271 -1.157 -10.652 1.00 0.00 N ATOM 84 CA LEU A 6 -7.990 -0.502 -10.932 1.00 0.00 C ATOM 85 C LEU A 6 -7.675 0.651 -9.962 1.00 0.00 C ATOM 86 O LEU A 6 -6.524 0.817 -9.562 1.00 0.00 O ATOM 87 CB LEU A 6 -7.956 -0.013 -12.392 1.00 0.00 C ATOM 88 CG LEU A 6 -8.181 -1.102 -13.460 1.00 0.00 C ATOM 89 CD1 LEU A 6 -7.993 -0.496 -14.851 1.00 0.00 C ATOM 90 CD2 LEU A 6 -7.220 -2.285 -13.318 1.00 0.00 C ATOM 0 H LEU A 6 -9.957 -1.037 -11.397 1.00 0.00 H new ATOM 0 HA LEU A 6 -7.210 -1.248 -10.779 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -8.717 0.757 -12.517 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -6.991 0.459 -12.577 1.00 0.00 H new ATOM 0 HG LEU A 6 -9.195 -1.475 -13.319 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -8.152 -1.265 -15.607 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -8.712 0.310 -14.997 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -6.981 -0.101 -14.942 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -7.428 -3.018 -14.098 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -6.193 -1.933 -13.415 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -7.354 -2.747 -12.340 1.00 0.00 H new ATOM 102 N GLU A 7 -8.684 1.411 -9.528 1.00 0.00 N ATOM 103 CA GLU A 7 -8.579 2.484 -8.525 1.00 0.00 C ATOM 104 C GLU A 7 -7.882 2.008 -7.237 1.00 0.00 C ATOM 105 O GLU A 7 -6.998 2.693 -6.716 1.00 0.00 O ATOM 106 CB GLU A 7 -9.988 3.041 -8.214 1.00 0.00 C ATOM 107 CG GLU A 7 -10.210 4.483 -8.687 1.00 0.00 C ATOM 108 CD GLU A 7 -9.668 5.510 -7.673 1.00 0.00 C ATOM 109 OE1 GLU A 7 -10.399 5.863 -6.714 1.00 0.00 O ATOM 110 OE2 GLU A 7 -8.519 5.986 -7.836 1.00 0.00 O ATOM 0 H GLU A 7 -9.635 1.294 -9.877 1.00 0.00 H new ATOM 0 HA GLU A 7 -7.959 3.277 -8.942 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -10.733 2.398 -8.683 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -10.157 2.993 -7.138 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -9.719 4.629 -9.649 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -11.275 4.654 -8.843 1.00 0.00 H new ATOM 117 N LEU A 8 -8.241 0.815 -6.746 1.00 0.00 N ATOM 118 CA LEU A 8 -7.596 0.181 -5.593 1.00 0.00 C ATOM 119 C LEU A 8 -6.300 -0.570 -5.962 1.00 0.00 C ATOM 120 O LEU A 8 -5.374 -0.614 -5.153 1.00 0.00 O ATOM 121 CB LEU A 8 -8.612 -0.748 -4.909 1.00 0.00 C ATOM 122 CG LEU A 8 -8.172 -1.139 -3.480 1.00 0.00 C ATOM 123 CD1 LEU A 8 -9.190 -0.664 -2.442 1.00 0.00 C ATOM 124 CD2 LEU A 8 -8.004 -2.652 -3.346 1.00 0.00 C ATOM 0 H LEU A 8 -8.997 0.258 -7.144 1.00 0.00 H new ATOM 0 HA LEU A 8 -7.286 0.964 -4.902 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -9.583 -0.254 -4.867 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -8.739 -1.650 -5.508 1.00 0.00 H new ATOM 0 HG LEU A 8 -7.213 -0.652 -3.299 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -8.855 -0.953 -1.446 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -9.283 0.421 -2.494 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -10.158 -1.121 -2.646 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -7.694 -2.895 -2.330 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -8.952 -3.144 -3.564 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -7.246 -2.998 -4.049 1.00 0.00 H new ATOM 136 N ASP A 9 -6.193 -1.124 -7.175 1.00 0.00 N ATOM 137 CA ASP A 9 -4.996 -1.836 -7.659 1.00 0.00 C ATOM 138 C ASP A 9 -3.726 -0.966 -7.596 1.00 0.00 C ATOM 139 O ASP A 9 -2.672 -1.437 -7.162 1.00 0.00 O ATOM 140 CB ASP A 9 -5.230 -2.352 -9.086 1.00 0.00 C ATOM 141 CG ASP A 9 -4.128 -3.327 -9.538 1.00 0.00 C ATOM 142 OD1 ASP A 9 -3.946 -4.383 -8.886 1.00 0.00 O ATOM 143 OD2 ASP A 9 -3.461 -3.052 -10.563 1.00 0.00 O ATOM 0 H ASP A 9 -6.946 -1.092 -7.862 1.00 0.00 H new ATOM 0 HA ASP A 9 -4.830 -2.682 -6.993 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -6.198 -2.851 -9.136 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -5.271 -1.508 -9.774 1.00 0.00 H new ATOM 148 N LYS A 10 -3.820 0.315 -7.986 1.00 0.00 N ATOM 149 CA LYS A 10 -2.713 1.286 -7.877 1.00 0.00 C ATOM 150 C LYS A 10 -2.402 1.631 -6.414 1.00 0.00 C ATOM 151 O LYS A 10 -1.237 1.732 -6.029 1.00 0.00 O ATOM 152 CB LYS A 10 -3.036 2.571 -8.666 1.00 0.00 C ATOM 153 CG LYS A 10 -3.424 2.356 -10.141 1.00 0.00 C ATOM 154 CD LYS A 10 -2.416 1.563 -10.985 1.00 0.00 C ATOM 155 CE LYS A 10 -1.158 2.386 -11.283 1.00 0.00 C ATOM 156 NZ LYS A 10 -0.172 1.606 -12.075 1.00 0.00 N ATOM 0 H LYS A 10 -4.669 0.711 -8.388 1.00 0.00 H new ATOM 0 HA LYS A 10 -1.828 0.818 -8.307 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -3.853 3.090 -8.164 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -2.168 3.229 -8.628 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -4.383 1.840 -10.174 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -3.571 3.331 -10.605 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -2.138 0.650 -10.458 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -2.884 1.260 -11.922 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -1.433 3.288 -11.829 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -0.702 2.707 -10.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 0.667 2.192 -12.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 0.108 0.758 -11.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -0.600 1.321 -12.979 1.00 0.00 H new ATOM 170 N TRP A 11 -3.443 1.785 -5.591 1.00 0.00 N ATOM 171 CA TRP A 11 -3.335 2.093 -4.159 1.00 0.00 C ATOM 172 C TRP A 11 -2.687 0.961 -3.341 1.00 0.00 C ATOM 173 O TRP A 11 -2.008 1.231 -2.351 1.00 0.00 O ATOM 174 CB TRP A 11 -4.721 2.466 -3.608 1.00 0.00 C ATOM 175 CG TRP A 11 -4.719 3.552 -2.572 1.00 0.00 C ATOM 176 CD1 TRP A 11 -4.323 4.826 -2.797 1.00 0.00 C ATOM 177 CD2 TRP A 11 -5.155 3.508 -1.176 1.00 0.00 C ATOM 178 NE1 TRP A 11 -4.473 5.571 -1.643 1.00 0.00 N ATOM 179 CE2 TRP A 11 -4.991 4.812 -0.616 1.00 0.00 C ATOM 180 CE3 TRP A 11 -5.685 2.511 -0.326 1.00 0.00 C ATOM 181 CZ2 TRP A 11 -5.335 5.115 0.710 1.00 0.00 C ATOM 182 CZ3 TRP A 11 -6.034 2.803 1.010 1.00 0.00 C ATOM 183 CH2 TRP A 11 -5.862 4.100 1.528 1.00 0.00 C ATOM 0 H TRP A 11 -4.408 1.697 -5.908 1.00 0.00 H new ATOM 0 HA TRP A 11 -2.663 2.945 -4.056 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -5.354 2.778 -4.439 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -5.177 1.574 -3.177 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -3.947 5.203 -3.736 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -4.231 6.558 -1.562 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -5.825 1.509 -0.705 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -5.197 6.114 1.097 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -6.437 2.024 1.640 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -6.134 4.315 2.551 1.00 0.00 H new ATOM 194 N ALA A 12 -2.815 -0.298 -3.774 1.00 0.00 N ATOM 195 CA ALA A 12 -2.168 -1.459 -3.156 1.00 0.00 C ATOM 196 C ALA A 12 -0.627 -1.348 -3.123 1.00 0.00 C ATOM 197 O ALA A 12 -0.004 -1.714 -2.124 1.00 0.00 O ATOM 198 CB ALA A 12 -2.622 -2.726 -3.889 1.00 0.00 C ATOM 0 H ALA A 12 -3.385 -0.543 -4.583 1.00 0.00 H new ATOM 0 HA ALA A 12 -2.477 -1.503 -2.112 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -2.147 -3.597 -3.438 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -3.705 -2.823 -3.812 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -2.337 -2.661 -4.939 1.00 0.00 H new ATOM 204 N SER A 13 -0.009 -0.795 -4.174 1.00 0.00 N ATOM 205 CA SER A 13 1.439 -0.526 -4.241 1.00 0.00 C ATOM 206 C SER A 13 1.898 0.429 -3.128 1.00 0.00 C ATOM 207 O SER A 13 2.915 0.191 -2.472 1.00 0.00 O ATOM 208 CB SER A 13 1.814 0.054 -5.613 1.00 0.00 C ATOM 209 OG SER A 13 1.414 -0.826 -6.654 1.00 0.00 O ATOM 0 H SER A 13 -0.508 -0.516 -5.019 1.00 0.00 H new ATOM 0 HA SER A 13 1.951 -1.477 -4.097 1.00 0.00 H new ATOM 0 HB2 SER A 13 1.336 1.025 -5.746 1.00 0.00 H new ATOM 0 HB3 SER A 13 2.890 0.219 -5.662 1.00 0.00 H new ATOM 0 HG SER A 13 1.659 -0.440 -7.521 1.00 0.00 H new ATOM 215 N LEU A 14 1.124 1.492 -2.881 1.00 0.00 N ATOM 216 CA LEU A 14 1.336 2.456 -1.795 1.00 0.00 C ATOM 217 C LEU A 14 1.058 1.840 -0.415 1.00 0.00 C ATOM 218 O LEU A 14 1.812 2.083 0.526 1.00 0.00 O ATOM 219 CB LEU A 14 0.442 3.687 -2.040 1.00 0.00 C ATOM 220 CG LEU A 14 1.096 4.679 -3.022 1.00 0.00 C ATOM 221 CD1 LEU A 14 0.044 5.391 -3.870 1.00 0.00 C ATOM 222 CD2 LEU A 14 1.907 5.728 -2.257 1.00 0.00 C ATOM 0 H LEU A 14 0.306 1.712 -3.450 1.00 0.00 H new ATOM 0 HA LEU A 14 2.384 2.756 -1.794 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -0.521 3.365 -2.436 1.00 0.00 H new ATOM 0 HB3 LEU A 14 0.246 4.189 -1.092 1.00 0.00 H new ATOM 0 HG LEU A 14 1.753 4.107 -3.677 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.535 6.084 -4.553 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.520 4.655 -4.443 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.635 5.942 -3.220 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.363 6.422 -2.963 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.249 6.277 -1.583 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.688 5.234 -1.679 1.00 0.00 H new ATOM 234 N TRP A 15 0.014 1.017 -0.289 1.00 0.00 N ATOM 235 CA TRP A 15 -0.335 0.322 0.957 1.00 0.00 C ATOM 236 C TRP A 15 0.771 -0.637 1.425 1.00 0.00 C ATOM 237 O TRP A 15 1.112 -0.663 2.611 1.00 0.00 O ATOM 238 CB TRP A 15 -1.684 -0.391 0.792 1.00 0.00 C ATOM 239 CG TRP A 15 -2.312 -0.812 2.084 1.00 0.00 C ATOM 240 CD1 TRP A 15 -2.630 -2.076 2.446 1.00 0.00 C ATOM 241 CD2 TRP A 15 -2.686 0.038 3.209 1.00 0.00 C ATOM 242 NE1 TRP A 15 -3.163 -2.065 3.725 1.00 0.00 N ATOM 243 CE2 TRP A 15 -3.203 -0.789 4.248 1.00 0.00 C ATOM 244 CE3 TRP A 15 -2.630 1.427 3.455 1.00 0.00 C ATOM 245 CZ2 TRP A 15 -3.621 -0.266 5.483 1.00 0.00 C ATOM 246 CZ3 TRP A 15 -3.047 1.963 4.689 1.00 0.00 C ATOM 247 CH2 TRP A 15 -3.536 1.120 5.704 1.00 0.00 C ATOM 0 H TRP A 15 -0.623 0.810 -1.059 1.00 0.00 H new ATOM 0 HA TRP A 15 -0.430 1.068 1.746 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -2.371 0.271 0.265 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -1.544 -1.271 0.164 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -2.490 -2.955 1.835 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -3.486 -2.897 4.219 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -2.262 2.089 2.685 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -4.003 -0.920 6.253 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -2.991 3.028 4.857 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -3.845 1.537 6.651 1.00 0.00 H new ATOM 258 N ASN A 16 1.376 -1.387 0.495 1.00 0.00 N ATOM 259 CA ASN A 16 2.515 -2.267 0.766 1.00 0.00 C ATOM 260 C ASN A 16 3.705 -1.462 1.331 1.00 0.00 C ATOM 261 O ASN A 16 4.257 -1.821 2.372 1.00 0.00 O ATOM 262 CB ASN A 16 2.871 -3.026 -0.526 1.00 0.00 C ATOM 263 CG ASN A 16 3.920 -4.108 -0.300 1.00 0.00 C ATOM 264 OD1 ASN A 16 5.079 -3.841 -0.019 1.00 0.00 O ATOM 265 ND2 ASN A 16 3.558 -5.365 -0.432 1.00 0.00 N ATOM 0 H ASN A 16 1.082 -1.398 -0.482 1.00 0.00 H new ATOM 0 HA ASN A 16 2.254 -2.999 1.531 1.00 0.00 H new ATOM 0 HB2 ASN A 16 1.969 -3.480 -0.937 1.00 0.00 H new ATOM 0 HB3 ASN A 16 3.239 -2.318 -1.269 1.00 0.00 H new ATOM 0 HD21 ASN A 16 4.243 -6.109 -0.300 1.00 0.00 H new ATOM 0 HD22 ASN A 16 2.592 -5.596 -0.666 1.00 0.00 H new ATOM 272 N TRP A 17 4.059 -0.341 0.689 1.00 0.00 N ATOM 273 CA TRP A 17 5.098 0.576 1.173 1.00 0.00 C ATOM 274 C TRP A 17 4.783 1.142 2.567 1.00 0.00 C ATOM 275 O TRP A 17 5.643 1.089 3.444 1.00 0.00 O ATOM 276 CB TRP A 17 5.329 1.704 0.160 1.00 0.00 C ATOM 277 CG TRP A 17 6.323 2.735 0.604 1.00 0.00 C ATOM 278 CD1 TRP A 17 7.669 2.601 0.551 1.00 0.00 C ATOM 279 CD2 TRP A 17 6.073 4.032 1.229 1.00 0.00 C ATOM 280 NE1 TRP A 17 8.267 3.730 1.079 1.00 0.00 N ATOM 281 CE2 TRP A 17 7.331 4.639 1.523 1.00 0.00 C ATOM 282 CE3 TRP A 17 4.912 4.755 1.591 1.00 0.00 C ATOM 283 CZ2 TRP A 17 7.437 5.898 2.134 1.00 0.00 C ATOM 284 CZ3 TRP A 17 5.007 6.019 2.209 1.00 0.00 C ATOM 285 CH2 TRP A 17 6.265 6.590 2.480 1.00 0.00 C ATOM 0 H TRP A 17 3.629 -0.043 -0.187 1.00 0.00 H new ATOM 0 HA TRP A 17 6.017 -0.002 1.274 1.00 0.00 H new ATOM 0 HB2 TRP A 17 5.669 1.269 -0.780 1.00 0.00 H new ATOM 0 HB3 TRP A 17 4.378 2.196 -0.042 1.00 0.00 H new ATOM 0 HD1 TRP A 17 8.195 1.744 0.157 1.00 0.00 H new ATOM 0 HE1 TRP A 17 9.276 3.873 1.133 1.00 0.00 H new ATOM 0 HE3 TRP A 17 3.938 4.333 1.391 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 8.407 6.329 2.335 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 4.107 6.553 2.477 1.00 0.00 H new ATOM 0 HH2 TRP A 17 6.329 7.559 2.953 1.00 0.00 H new ATOM 296 N PHE A 18 3.555 1.626 2.799 1.00 0.00 N ATOM 297 CA PHE A 18 3.126 2.208 4.080 1.00 0.00 C ATOM 298 C PHE A 18 3.343 1.259 5.273 1.00 0.00 C ATOM 299 O PHE A 18 3.729 1.695 6.362 1.00 0.00 O ATOM 300 CB PHE A 18 1.665 2.673 3.980 1.00 0.00 C ATOM 301 CG PHE A 18 1.196 3.505 5.162 1.00 0.00 C ATOM 302 CD1 PHE A 18 1.825 4.733 5.452 1.00 0.00 C ATOM 303 CD2 PHE A 18 0.129 3.065 5.970 1.00 0.00 C ATOM 304 CE1 PHE A 18 1.397 5.509 6.544 1.00 0.00 C ATOM 305 CE2 PHE A 18 -0.305 3.846 7.057 1.00 0.00 C ATOM 306 CZ PHE A 18 0.331 5.068 7.346 1.00 0.00 C ATOM 0 H PHE A 18 2.820 1.625 2.092 1.00 0.00 H new ATOM 0 HA PHE A 18 3.759 3.074 4.277 1.00 0.00 H new ATOM 0 HB2 PHE A 18 1.542 3.256 3.067 1.00 0.00 H new ATOM 0 HB3 PHE A 18 1.022 1.798 3.888 1.00 0.00 H new ATOM 0 HD1 PHE A 18 2.639 5.079 4.833 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -0.357 2.125 5.754 1.00 0.00 H new ATOM 0 HE1 PHE A 18 1.888 6.445 6.766 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -1.127 3.507 7.670 1.00 0.00 H new ATOM 0 HZ PHE A 18 0.000 5.665 8.183 1.00 0.00 H new ATOM 316 N ASN A 19 3.141 -0.051 5.068 1.00 0.00 N ATOM 317 CA ASN A 19 3.411 -1.075 6.077 1.00 0.00 C ATOM 318 C ASN A 19 4.902 -1.078 6.472 1.00 0.00 C ATOM 319 O ASN A 19 5.212 -1.061 7.663 1.00 0.00 O ATOM 320 CB ASN A 19 2.951 -2.444 5.547 1.00 0.00 C ATOM 321 CG ASN A 19 3.193 -3.557 6.556 1.00 0.00 C ATOM 322 OD1 ASN A 19 4.259 -4.151 6.618 1.00 0.00 O ATOM 323 ND2 ASN A 19 2.217 -3.881 7.374 1.00 0.00 N ATOM 0 H ASN A 19 2.783 -0.428 4.190 1.00 0.00 H new ATOM 0 HA ASN A 19 2.848 -0.852 6.983 1.00 0.00 H new ATOM 0 HB2 ASN A 19 1.890 -2.400 5.303 1.00 0.00 H new ATOM 0 HB3 ASN A 19 3.481 -2.671 4.622 1.00 0.00 H new ATOM 0 HD21 ASN A 19 2.351 -4.626 8.058 1.00 0.00 H new ATOM 0 HD22 ASN A 19 1.326 -3.387 7.325 1.00 0.00 H new ATOM 330 N ILE A 20 5.821 -1.040 5.497 1.00 0.00 N ATOM 331 CA ILE A 20 7.275 -0.955 5.721 1.00 0.00 C ATOM 332 C ILE A 20 7.667 0.324 6.477 1.00 0.00 C ATOM 333 O ILE A 20 8.434 0.243 7.438 1.00 0.00 O ATOM 334 CB ILE A 20 8.066 -1.091 4.399 1.00 0.00 C ATOM 335 CG1 ILE A 20 7.710 -2.374 3.613 1.00 0.00 C ATOM 336 CG2 ILE A 20 9.585 -1.037 4.648 1.00 0.00 C ATOM 337 CD1 ILE A 20 7.886 -3.697 4.372 1.00 0.00 C ATOM 0 H ILE A 20 5.571 -1.068 4.509 1.00 0.00 H new ATOM 0 HA ILE A 20 7.546 -1.800 6.354 1.00 0.00 H new ATOM 0 HB ILE A 20 7.771 -0.239 3.786 1.00 0.00 H new ATOM 0 HG12 ILE A 20 6.673 -2.300 3.286 1.00 0.00 H new ATOM 0 HG13 ILE A 20 8.326 -2.409 2.714 1.00 0.00 H new ATOM 0 HG21 ILE A 20 10.113 -1.135 3.699 1.00 0.00 H new ATOM 0 HG22 ILE A 20 9.844 -0.085 5.111 1.00 0.00 H new ATOM 0 HG23 ILE A 20 9.874 -1.853 5.310 1.00 0.00 H new ATOM 0 HD11 ILE A 20 7.607 -4.528 3.724 1.00 0.00 H new ATOM 0 HD12 ILE A 20 8.927 -3.807 4.675 1.00 0.00 H new ATOM 0 HD13 ILE A 20 7.249 -3.697 5.256 1.00 0.00 H new ATOM 349 N THR A 21 7.125 1.493 6.104 1.00 0.00 N ATOM 350 CA THR A 21 7.406 2.772 6.792 1.00 0.00 C ATOM 351 C THR A 21 7.085 2.696 8.289 1.00 0.00 C ATOM 352 O THR A 21 7.836 3.222 9.112 1.00 0.00 O ATOM 353 CB THR A 21 6.663 3.981 6.183 1.00 0.00 C ATOM 354 OG1 THR A 21 6.124 3.711 4.910 1.00 0.00 O ATOM 355 CG2 THR A 21 7.608 5.167 5.991 1.00 0.00 C ATOM 0 H THR A 21 6.480 1.583 5.319 1.00 0.00 H new ATOM 0 HA THR A 21 8.475 2.931 6.650 1.00 0.00 H new ATOM 0 HB THR A 21 5.864 4.202 6.891 1.00 0.00 H new ATOM 0 HG1 THR A 21 5.665 4.509 4.573 1.00 0.00 H new ATOM 0 HG21 THR A 21 7.058 6.004 5.561 1.00 0.00 H new ATOM 0 HG22 THR A 21 8.022 5.462 6.955 1.00 0.00 H new ATOM 0 HG23 THR A 21 8.418 4.882 5.320 1.00 0.00 H new ATOM 363 N ASN A 22 5.988 2.023 8.657 1.00 0.00 N ATOM 364 CA ASN A 22 5.610 1.775 10.049 1.00 0.00 C ATOM 365 C ASN A 22 6.484 0.674 10.688 1.00 0.00 C ATOM 366 O ASN A 22 6.933 0.830 11.823 1.00 0.00 O ATOM 367 CB ASN A 22 4.115 1.417 10.100 1.00 0.00 C ATOM 368 CG ASN A 22 3.658 1.124 11.520 1.00 0.00 C ATOM 369 OD1 ASN A 22 3.385 2.018 12.310 1.00 0.00 O ATOM 370 ND2 ASN A 22 3.571 -0.133 11.899 1.00 0.00 N ATOM 0 H ASN A 22 5.330 1.630 7.984 1.00 0.00 H new ATOM 0 HA ASN A 22 5.782 2.678 10.635 1.00 0.00 H new ATOM 0 HB2 ASN A 22 3.529 2.240 9.691 1.00 0.00 H new ATOM 0 HB3 ASN A 22 3.927 0.548 9.470 1.00 0.00 H new ATOM 0 HD21 ASN A 22 3.277 -0.360 12.849 1.00 0.00 H new ATOM 0 HD22 ASN A 22 3.798 -0.880 11.243 1.00 0.00 H new ATOM 377 N TRP A 23 6.752 -0.427 9.975 1.00 0.00 N ATOM 378 CA TRP A 23 7.541 -1.568 10.466 1.00 0.00 C ATOM 379 C TRP A 23 8.966 -1.184 10.889 1.00 0.00 C ATOM 380 O TRP A 23 9.509 -1.792 11.810 1.00 0.00 O ATOM 381 CB TRP A 23 7.566 -2.689 9.417 1.00 0.00 C ATOM 382 CG TRP A 23 8.111 -4.015 9.873 1.00 0.00 C ATOM 383 CD1 TRP A 23 7.875 -4.593 11.075 1.00 0.00 C ATOM 384 CD2 TRP A 23 8.960 -4.956 9.142 1.00 0.00 C ATOM 385 NE1 TRP A 23 8.524 -5.811 11.145 1.00 0.00 N ATOM 386 CE2 TRP A 23 9.196 -6.092 9.975 1.00 0.00 C ATOM 387 CE3 TRP A 23 9.550 -4.976 7.858 1.00 0.00 C ATOM 388 CZ2 TRP A 23 9.970 -7.187 9.561 1.00 0.00 C ATOM 389 CZ3 TRP A 23 10.333 -6.068 7.431 1.00 0.00 C ATOM 390 CH2 TRP A 23 10.544 -7.171 8.279 1.00 0.00 C ATOM 0 H TRP A 23 6.420 -0.554 9.019 1.00 0.00 H new ATOM 0 HA TRP A 23 7.045 -1.927 11.367 1.00 0.00 H new ATOM 0 HB2 TRP A 23 6.549 -2.843 9.056 1.00 0.00 H new ATOM 0 HB3 TRP A 23 8.158 -2.349 8.567 1.00 0.00 H new ATOM 0 HD1 TRP A 23 7.270 -4.166 11.861 1.00 0.00 H new ATOM 0 HE1 TRP A 23 8.508 -6.425 11.960 1.00 0.00 H new ATOM 0 HE3 TRP A 23 9.398 -4.140 7.192 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 10.122 -8.030 10.219 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 10.774 -6.058 6.445 1.00 0.00 H new ATOM 0 HH2 TRP A 23 11.146 -8.003 7.945 1.00 0.00 H new ATOM 401 N LEU A 24 9.545 -0.134 10.293 1.00 0.00 N ATOM 402 CA LEU A 24 10.857 0.416 10.664 1.00 0.00 C ATOM 403 C LEU A 24 10.980 0.699 12.179 1.00 0.00 C ATOM 404 O LEU A 24 12.038 0.461 12.766 1.00 0.00 O ATOM 405 CB LEU A 24 11.144 1.691 9.833 1.00 0.00 C ATOM 406 CG LEU A 24 12.248 1.580 8.765 1.00 0.00 C ATOM 407 CD1 LEU A 24 13.589 1.127 9.346 1.00 0.00 C ATOM 408 CD2 LEU A 24 11.853 0.655 7.614 1.00 0.00 C ATOM 0 H LEU A 24 9.105 0.369 9.522 1.00 0.00 H new ATOM 0 HA LEU A 24 11.608 -0.340 10.436 1.00 0.00 H new ATOM 0 HB2 LEU A 24 10.220 1.992 9.339 1.00 0.00 H new ATOM 0 HB3 LEU A 24 11.413 2.493 10.520 1.00 0.00 H new ATOM 0 HG LEU A 24 12.368 2.591 8.375 1.00 0.00 H new ATOM 0 HD11 LEU A 24 14.329 1.066 8.548 1.00 0.00 H new ATOM 0 HD12 LEU A 24 13.922 1.845 10.096 1.00 0.00 H new ATOM 0 HD13 LEU A 24 13.473 0.147 9.808 1.00 0.00 H new ATOM 0 HD21 LEU A 24 12.665 0.611 6.888 1.00 0.00 H new ATOM 0 HD22 LEU A 24 11.658 -0.345 8.001 1.00 0.00 H new ATOM 0 HD23 LEU A 24 10.955 1.039 7.131 1.00 0.00 H new ATOM 420 N TRP A 25 9.898 1.151 12.828 1.00 0.00 N ATOM 421 CA TRP A 25 9.841 1.360 14.284 1.00 0.00 C ATOM 422 C TRP A 25 9.976 0.056 15.088 1.00 0.00 C ATOM 423 O TRP A 25 10.564 0.054 16.171 1.00 0.00 O ATOM 424 CB TRP A 25 8.536 2.084 14.668 1.00 0.00 C ATOM 425 CG TRP A 25 8.684 3.550 14.917 1.00 0.00 C ATOM 426 CD1 TRP A 25 8.111 4.548 14.207 1.00 0.00 C ATOM 427 CD2 TRP A 25 9.457 4.195 15.974 1.00 0.00 C ATOM 428 NE1 TRP A 25 8.479 5.767 14.751 1.00 0.00 N ATOM 429 CE2 TRP A 25 9.311 5.607 15.840 1.00 0.00 C ATOM 430 CE3 TRP A 25 10.267 3.725 17.030 1.00 0.00 C ATOM 431 CZ2 TRP A 25 9.942 6.510 16.711 1.00 0.00 C ATOM 432 CZ3 TRP A 25 10.907 4.620 17.908 1.00 0.00 C ATOM 433 CH2 TRP A 25 10.747 6.009 17.751 1.00 0.00 C ATOM 0 H TRP A 25 9.027 1.385 12.352 1.00 0.00 H new ATOM 0 HA TRP A 25 10.699 1.980 14.543 1.00 0.00 H new ATOM 0 HB2 TRP A 25 7.807 1.937 13.871 1.00 0.00 H new ATOM 0 HB3 TRP A 25 8.128 1.617 15.564 1.00 0.00 H new ATOM 0 HD1 TRP A 25 7.467 4.415 13.350 1.00 0.00 H new ATOM 0 HE1 TRP A 25 8.173 6.671 14.391 1.00 0.00 H new ATOM 0 HE3 TRP A 25 10.398 2.662 17.167 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 9.811 7.575 16.584 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 11.525 4.238 18.707 1.00 0.00 H new ATOM 0 HH2 TRP A 25 11.241 6.690 18.428 1.00 0.00 H new ATOM 444 N TYR A 26 9.447 -1.055 14.568 1.00 0.00 N ATOM 445 CA TYR A 26 9.526 -2.388 15.173 1.00 0.00 C ATOM 446 C TYR A 26 10.934 -3.005 15.070 1.00 0.00 C ATOM 447 O TYR A 26 11.380 -3.679 16.002 1.00 0.00 O ATOM 448 CB TYR A 26 8.482 -3.302 14.510 1.00 0.00 C ATOM 449 CG TYR A 26 7.801 -4.250 15.475 1.00 0.00 C ATOM 450 CD1 TYR A 26 6.647 -3.822 16.161 1.00 0.00 C ATOM 451 CD2 TYR A 26 8.310 -5.545 15.694 1.00 0.00 C ATOM 452 CE1 TYR A 26 5.991 -4.692 17.053 1.00 0.00 C ATOM 453 CE2 TYR A 26 7.657 -6.418 16.586 1.00 0.00 C ATOM 454 CZ TYR A 26 6.491 -5.995 17.265 1.00 0.00 C ATOM 455 OH TYR A 26 5.844 -6.835 18.121 1.00 0.00 O ATOM 0 H TYR A 26 8.935 -1.052 13.686 1.00 0.00 H new ATOM 0 HA TYR A 26 9.314 -2.288 16.238 1.00 0.00 H new ATOM 0 HB2 TYR A 26 7.725 -2.684 14.027 1.00 0.00 H new ATOM 0 HB3 TYR A 26 8.967 -3.883 13.725 1.00 0.00 H new ATOM 0 HD1 TYR A 26 6.265 -2.824 16.002 1.00 0.00 H new ATOM 0 HD2 TYR A 26 9.202 -5.869 15.178 1.00 0.00 H new ATOM 0 HE1 TYR A 26 5.105 -4.362 17.575 1.00 0.00 H new ATOM 0 HE2 TYR A 26 8.047 -7.411 16.751 1.00 0.00 H new ATOM 0 HH TYR A 26 6.315 -7.694 18.155 1.00 0.00 H new ATOM 465 N ILE A 27 11.646 -2.762 13.960 1.00 0.00 N ATOM 466 CA ILE A 27 13.040 -3.203 13.742 1.00 0.00 C ATOM 467 C ILE A 27 13.989 -2.588 14.786 1.00 0.00 C ATOM 468 O ILE A 27 14.778 -3.309 15.408 1.00 0.00 O ATOM 469 CB ILE A 27 13.515 -2.866 12.308 1.00 0.00 C ATOM 470 CG1 ILE A 27 12.611 -3.446 11.199 1.00 0.00 C ATOM 471 CG2 ILE A 27 14.968 -3.325 12.079 1.00 0.00 C ATOM 472 CD1 ILE A 27 12.438 -4.971 11.211 1.00 0.00 C ATOM 0 H ILE A 27 11.265 -2.243 13.169 1.00 0.00 H new ATOM 0 HA ILE A 27 13.063 -4.286 13.861 1.00 0.00 H new ATOM 0 HB ILE A 27 13.453 -1.780 12.235 1.00 0.00 H new ATOM 0 HG12 ILE A 27 11.626 -2.986 11.281 1.00 0.00 H new ATOM 0 HG13 ILE A 27 13.020 -3.153 10.232 1.00 0.00 H new ATOM 0 HG21 ILE A 27 15.273 -3.074 11.063 1.00 0.00 H new ATOM 0 HG22 ILE A 27 15.625 -2.822 12.789 1.00 0.00 H new ATOM 0 HG23 ILE A 27 15.036 -4.403 12.223 1.00 0.00 H new ATOM 0 HD11 ILE A 27 11.785 -5.270 10.391 1.00 0.00 H new ATOM 0 HD12 ILE A 27 13.411 -5.448 11.093 1.00 0.00 H new ATOM 0 HD13 ILE A 27 11.995 -5.280 12.158 1.00 0.00 H new ATOM 484 N LYS A 28 13.868 -1.269 15.005 1.00 0.00 N ATOM 485 CA LYS A 28 14.639 -0.451 15.965 1.00 0.00 C ATOM 486 C LYS A 28 16.172 -0.547 15.779 1.00 0.00 C ATOM 487 O LYS A 28 16.628 -0.676 14.618 1.00 0.00 O ATOM 488 CB LYS A 28 14.137 -0.772 17.395 1.00 0.00 C ATOM 489 CG LYS A 28 14.119 0.442 18.343 1.00 0.00 C ATOM 490 CD LYS A 28 14.997 0.245 19.588 1.00 0.00 C ATOM 491 CE LYS A 28 14.824 1.415 20.568 1.00 0.00 C ATOM 492 NZ LYS A 28 13.751 1.161 21.567 1.00 0.00 N ATOM 493 OXT LYS A 28 16.930 -0.423 16.769 1.00 0.00 O ATOM 0 H LYS A 28 13.190 -0.709 14.488 1.00 0.00 H new ATOM 0 HA LYS A 28 14.453 0.605 15.768 1.00 0.00 H new ATOM 0 HB2 LYS A 28 13.130 -1.184 17.331 1.00 0.00 H new ATOM 0 HB3 LYS A 28 14.772 -1.546 17.826 1.00 0.00 H new ATOM 0 HG2 LYS A 28 14.460 1.324 17.801 1.00 0.00 H new ATOM 0 HG3 LYS A 28 13.093 0.636 18.656 1.00 0.00 H new ATOM 0 HD2 LYS A 28 14.732 -0.690 20.081 1.00 0.00 H new ATOM 0 HD3 LYS A 28 16.043 0.164 19.292 1.00 0.00 H new ATOM 0 HE2 LYS A 28 15.766 1.594 21.087 1.00 0.00 H new ATOM 0 HE3 LYS A 28 14.591 2.322 20.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 13.671 1.978 22.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 12.846 1.017 21.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 13.985 0.311 22.119 1.00 0.00 H new TER 507 LYS A 28