USER MOD reduce.3.24.130724 H: found=0, std=0, add=293, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 293 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 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.00106 USER MOD Single : A 4 GLN : amide:sc= 0.791 K(o=0.79,f=-3.9!) USER MOD Single : A 7 THR OG1 : rot 154:sc= 0.696 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.0812 USER MOD Single : A 18 LYS NZ :NH3+ -167:sc= 1.24 (180deg=1.1) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= 0.552 K(o=0.55,f=-0.26) USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.0276 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 17.557 -12.012 1.733 1.00 0.00 N ATOM 2 CA GLY A 1 17.383 -10.642 1.214 1.00 0.00 C ATOM 3 C GLY A 1 18.573 -9.762 1.576 1.00 0.00 C ATOM 4 O GLY A 1 18.771 -9.427 2.748 1.00 0.00 O ATOM 0 H1 GLY A 1 16.732 -12.589 1.472 1.00 0.00 H new ATOM 0 H2 GLY A 1 18.417 -12.431 1.325 1.00 0.00 H new ATOM 0 H3 GLY A 1 17.645 -11.982 2.769 1.00 0.00 H new ATOM 0 HA2 GLY A 1 17.266 -10.673 0.131 1.00 0.00 H new ATOM 0 HA3 GLY A 1 16.469 -10.209 1.621 1.00 0.00 H new ATOM 10 N SER A 2 19.373 -9.370 0.578 1.00 0.00 N ATOM 11 CA SER A 2 20.592 -8.579 0.760 1.00 0.00 C ATOM 12 C SER A 2 20.323 -7.162 1.300 1.00 0.00 C ATOM 13 O SER A 2 21.220 -6.546 1.879 1.00 0.00 O ATOM 14 CB SER A 2 21.334 -8.501 -0.583 1.00 0.00 C ATOM 15 OG SER A 2 21.429 -9.785 -1.190 1.00 0.00 O ATOM 0 H SER A 2 19.186 -9.599 -0.398 1.00 0.00 H new ATOM 0 HA SER A 2 21.201 -9.080 1.513 1.00 0.00 H new ATOM 0 HB2 SER A 2 20.812 -7.817 -1.252 1.00 0.00 H new ATOM 0 HB3 SER A 2 22.333 -8.094 -0.427 1.00 0.00 H new ATOM 0 HG SER A 2 21.904 -9.709 -2.044 1.00 0.00 H new ATOM 21 N GLY A 3 19.105 -6.640 1.127 1.00 0.00 N ATOM 22 CA GLY A 3 18.695 -5.314 1.564 1.00 0.00 C ATOM 23 C GLY A 3 17.225 -5.082 1.220 1.00 0.00 C ATOM 24 O GLY A 3 16.538 -6.000 0.759 1.00 0.00 O ATOM 0 H GLY A 3 18.355 -7.152 0.662 1.00 0.00 H new ATOM 0 HA2 GLY A 3 18.846 -5.214 2.639 1.00 0.00 H new ATOM 0 HA3 GLY A 3 19.314 -4.556 1.083 1.00 0.00 H new ATOM 28 N GLN A 4 16.750 -3.856 1.436 1.00 0.00 N ATOM 29 CA GLN A 4 15.399 -3.411 1.111 1.00 0.00 C ATOM 30 C GLN A 4 15.463 -1.948 0.674 1.00 0.00 C ATOM 31 O GLN A 4 16.361 -1.216 1.102 1.00 0.00 O ATOM 32 CB GLN A 4 14.456 -3.617 2.316 1.00 0.00 C ATOM 33 CG GLN A 4 14.916 -2.967 3.636 1.00 0.00 C ATOM 34 CD GLN A 4 13.906 -3.203 4.763 1.00 0.00 C ATOM 35 OE1 GLN A 4 12.804 -2.658 4.758 1.00 0.00 O ATOM 36 NE2 GLN A 4 14.246 -4.011 5.753 1.00 0.00 N ATOM 0 H GLN A 4 17.317 -3.120 1.857 1.00 0.00 H new ATOM 0 HA GLN A 4 14.991 -4.004 0.292 1.00 0.00 H new ATOM 0 HB2 GLN A 4 13.474 -3.220 2.059 1.00 0.00 H new ATOM 0 HB3 GLN A 4 14.334 -4.687 2.481 1.00 0.00 H new ATOM 0 HG2 GLN A 4 15.885 -3.374 3.924 1.00 0.00 H new ATOM 0 HG3 GLN A 4 15.052 -1.896 3.487 1.00 0.00 H new ATOM 0 HE21 GLN A 4 15.161 -4.461 5.753 1.00 0.00 H new ATOM 0 HE22 GLN A 4 13.593 -4.184 6.517 1.00 0.00 H new ATOM 45 N VAL A 5 14.514 -1.512 -0.159 1.00 0.00 N ATOM 46 CA VAL A 5 14.361 -0.125 -0.590 1.00 0.00 C ATOM 47 C VAL A 5 12.862 0.141 -0.761 1.00 0.00 C ATOM 48 O VAL A 5 12.116 -0.713 -1.249 1.00 0.00 O ATOM 49 CB VAL A 5 15.122 0.158 -1.913 1.00 0.00 C ATOM 50 CG1 VAL A 5 15.126 1.661 -2.247 1.00 0.00 C ATOM 51 CG2 VAL A 5 16.591 -0.297 -1.904 1.00 0.00 C ATOM 0 H VAL A 5 13.813 -2.134 -0.562 1.00 0.00 H new ATOM 0 HA VAL A 5 14.791 0.540 0.159 1.00 0.00 H new ATOM 0 HB VAL A 5 14.578 -0.421 -2.659 1.00 0.00 H new ATOM 0 HG11 VAL A 5 15.667 1.825 -3.179 1.00 0.00 H new ATOM 0 HG12 VAL A 5 14.100 2.012 -2.356 1.00 0.00 H new ATOM 0 HG13 VAL A 5 15.614 2.211 -1.443 1.00 0.00 H new ATOM 0 HG21 VAL A 5 17.050 -0.063 -2.864 1.00 0.00 H new ATOM 0 HG22 VAL A 5 17.128 0.221 -1.109 1.00 0.00 H new ATOM 0 HG23 VAL A 5 16.638 -1.372 -1.732 1.00 0.00 H new ATOM 61 N ARG A 6 12.432 1.336 -0.357 1.00 0.00 N ATOM 62 CA ARG A 6 11.120 1.928 -0.606 1.00 0.00 C ATOM 63 C ARG A 6 11.333 3.442 -0.595 1.00 0.00 C ATOM 64 O ARG A 6 12.388 3.897 -0.142 1.00 0.00 O ATOM 65 CB ARG A 6 10.052 1.460 0.406 1.00 0.00 C ATOM 66 CG ARG A 6 10.403 1.686 1.885 1.00 0.00 C ATOM 67 CD ARG A 6 9.262 1.204 2.797 1.00 0.00 C ATOM 68 NE ARG A 6 9.690 1.089 4.204 1.00 0.00 N ATOM 69 CZ ARG A 6 10.355 0.058 4.743 1.00 0.00 C ATOM 70 NH1 ARG A 6 10.667 -1.011 4.013 1.00 0.00 N ATOM 71 NH2 ARG A 6 10.723 0.110 6.014 1.00 0.00 N ATOM 0 H ARG A 6 13.031 1.956 0.188 1.00 0.00 H new ATOM 0 HA ARG A 6 10.721 1.603 -1.567 1.00 0.00 H new ATOM 0 HB2 ARG A 6 9.118 1.978 0.188 1.00 0.00 H new ATOM 0 HB3 ARG A 6 9.870 0.396 0.251 1.00 0.00 H new ATOM 0 HG2 ARG A 6 11.321 1.153 2.131 1.00 0.00 H new ATOM 0 HG3 ARG A 6 10.592 2.745 2.061 1.00 0.00 H new ATOM 0 HD2 ARG A 6 8.425 1.899 2.728 1.00 0.00 H new ATOM 0 HD3 ARG A 6 8.902 0.236 2.447 1.00 0.00 H new ATOM 0 HE ARG A 6 9.459 1.866 4.823 1.00 0.00 H new ATOM 0 HH11 ARG A 6 10.400 -1.053 3.030 1.00 0.00 H new ATOM 0 HH12 ARG A 6 11.174 -1.788 4.437 1.00 0.00 H new ATOM 0 HH21 ARG A 6 10.500 0.931 6.576 1.00 0.00 H new ATOM 0 HH22 ARG A 6 11.229 -0.671 6.431 1.00 0.00 H new ATOM 85 N THR A 7 10.357 4.200 -1.083 1.00 0.00 N ATOM 86 CA THR A 7 10.447 5.645 -1.270 1.00 0.00 C ATOM 87 C THR A 7 9.140 6.263 -0.773 1.00 0.00 C ATOM 88 O THR A 7 8.096 5.604 -0.735 1.00 0.00 O ATOM 89 CB THR A 7 10.737 5.948 -2.757 1.00 0.00 C ATOM 90 OG1 THR A 7 11.794 5.127 -3.232 1.00 0.00 O ATOM 91 CG2 THR A 7 11.136 7.406 -3.012 1.00 0.00 C ATOM 0 H THR A 7 9.456 3.816 -1.368 1.00 0.00 H new ATOM 0 HA THR A 7 11.265 6.082 -0.698 1.00 0.00 H new ATOM 0 HB THR A 7 9.804 5.746 -3.284 1.00 0.00 H new ATOM 0 HG1 THR A 7 11.705 5.006 -4.200 1.00 0.00 H new ATOM 0 HG21 THR A 7 11.326 7.551 -4.076 1.00 0.00 H new ATOM 0 HG22 THR A 7 10.328 8.065 -2.694 1.00 0.00 H new ATOM 0 HG23 THR A 7 12.039 7.640 -2.447 1.00 0.00 H new ATOM 99 N ILE A 8 9.221 7.527 -0.361 1.00 0.00 N ATOM 100 CA ILE A 8 8.161 8.250 0.345 1.00 0.00 C ATOM 101 C ILE A 8 7.883 9.570 -0.392 1.00 0.00 C ATOM 102 O ILE A 8 8.669 9.963 -1.258 1.00 0.00 O ATOM 103 CB ILE A 8 8.536 8.425 1.848 1.00 0.00 C ATOM 104 CG1 ILE A 8 9.375 9.683 2.147 1.00 0.00 C ATOM 105 CG2 ILE A 8 9.276 7.187 2.393 1.00 0.00 C ATOM 106 CD1 ILE A 8 9.558 9.897 3.652 1.00 0.00 C ATOM 0 H ILE A 8 10.053 8.096 -0.514 1.00 0.00 H new ATOM 0 HA ILE A 8 7.230 7.683 0.342 1.00 0.00 H new ATOM 0 HB ILE A 8 7.580 8.546 2.357 1.00 0.00 H new ATOM 0 HG12 ILE A 8 10.351 9.591 1.671 1.00 0.00 H new ATOM 0 HG13 ILE A 8 8.889 10.556 1.712 1.00 0.00 H new ATOM 0 HG21 ILE A 8 9.522 7.343 3.443 1.00 0.00 H new ATOM 0 HG22 ILE A 8 8.637 6.309 2.297 1.00 0.00 H new ATOM 0 HG23 ILE A 8 10.193 7.032 1.825 1.00 0.00 H new ATOM 0 HD11 ILE A 8 10.155 10.793 3.822 1.00 0.00 H new ATOM 0 HD12 ILE A 8 8.583 10.015 4.124 1.00 0.00 H new ATOM 0 HD13 ILE A 8 10.067 9.035 4.083 1.00 0.00 H new ATOM 118 N TRP A 9 6.800 10.270 -0.035 1.00 0.00 N ATOM 119 CA TRP A 9 6.457 11.576 -0.604 1.00 0.00 C ATOM 120 C TRP A 9 5.758 12.453 0.452 1.00 0.00 C ATOM 121 O TRP A 9 4.793 13.160 0.161 1.00 0.00 O ATOM 122 CB TRP A 9 5.665 11.390 -1.917 1.00 0.00 C ATOM 123 CG TRP A 9 6.187 12.170 -3.091 1.00 0.00 C ATOM 124 CD1 TRP A 9 6.899 11.638 -4.109 1.00 0.00 C ATOM 125 CD2 TRP A 9 6.091 13.601 -3.389 1.00 0.00 C ATOM 126 NE1 TRP A 9 7.213 12.615 -5.030 1.00 0.00 N ATOM 127 CE2 TRP A 9 6.745 13.849 -4.636 1.00 0.00 C ATOM 128 CE3 TRP A 9 5.531 14.722 -2.738 1.00 0.00 C ATOM 129 CZ2 TRP A 9 6.817 15.129 -5.209 1.00 0.00 C ATOM 130 CZ3 TRP A 9 5.623 16.015 -3.287 1.00 0.00 C ATOM 131 CH2 TRP A 9 6.255 16.219 -4.526 1.00 0.00 C ATOM 0 H TRP A 9 6.132 9.942 0.663 1.00 0.00 H new ATOM 0 HA TRP A 9 7.360 12.121 -0.880 1.00 0.00 H new ATOM 0 HB2 TRP A 9 5.663 10.331 -2.176 1.00 0.00 H new ATOM 0 HB3 TRP A 9 4.628 11.677 -1.742 1.00 0.00 H new ATOM 0 HD1 TRP A 9 7.181 10.599 -4.190 1.00 0.00 H new ATOM 0 HE1 TRP A 9 7.727 12.445 -5.894 1.00 0.00 H new ATOM 0 HE3 TRP A 9 5.020 14.584 -1.797 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 7.299 15.273 -6.164 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 5.205 16.856 -2.753 1.00 0.00 H new ATOM 0 HH2 TRP A 9 6.308 17.211 -4.951 1.00 0.00 H new ATOM 142 N VAL A 10 6.192 12.361 1.714 1.00 0.00 N ATOM 143 CA VAL A 10 5.610 13.155 2.795 1.00 0.00 C ATOM 144 C VAL A 10 6.051 14.617 2.652 1.00 0.00 C ATOM 145 O VAL A 10 7.146 14.916 2.160 1.00 0.00 O ATOM 146 CB VAL A 10 5.940 12.541 4.176 1.00 0.00 C ATOM 147 CG1 VAL A 10 5.502 11.070 4.254 1.00 0.00 C ATOM 148 CG2 VAL A 10 7.422 12.650 4.548 1.00 0.00 C ATOM 0 H VAL A 10 6.947 11.742 2.010 1.00 0.00 H new ATOM 0 HA VAL A 10 4.523 13.139 2.722 1.00 0.00 H new ATOM 0 HB VAL A 10 5.375 13.130 4.898 1.00 0.00 H new ATOM 0 HG11 VAL A 10 5.748 10.669 5.237 1.00 0.00 H new ATOM 0 HG12 VAL A 10 4.426 11.002 4.093 1.00 0.00 H new ATOM 0 HG13 VAL A 10 6.021 10.495 3.487 1.00 0.00 H new ATOM 0 HG21 VAL A 10 7.585 12.201 5.528 1.00 0.00 H new ATOM 0 HG22 VAL A 10 8.023 12.127 3.804 1.00 0.00 H new ATOM 0 HG23 VAL A 10 7.713 13.700 4.577 1.00 0.00 H new ATOM 158 N GLY A 11 5.220 15.530 3.153 1.00 0.00 N ATOM 159 CA GLY A 11 5.469 16.967 3.151 1.00 0.00 C ATOM 160 C GLY A 11 6.375 17.386 4.309 1.00 0.00 C ATOM 161 O GLY A 11 6.092 18.383 4.976 1.00 0.00 O ATOM 0 H GLY A 11 4.330 15.281 3.584 1.00 0.00 H new ATOM 0 HA2 GLY A 11 5.930 17.255 2.206 1.00 0.00 H new ATOM 0 HA3 GLY A 11 4.521 17.501 3.219 1.00 0.00 H new ATOM 165 N GLY A 12 7.410 16.585 4.602 1.00 0.00 N ATOM 166 CA GLY A 12 8.265 16.740 5.777 1.00 0.00 C ATOM 167 C GLY A 12 7.451 16.785 7.071 1.00 0.00 C ATOM 168 O GLY A 12 7.787 17.540 7.983 1.00 0.00 O ATOM 0 H GLY A 12 7.677 15.796 4.013 1.00 0.00 H new ATOM 0 HA2 GLY A 12 8.974 15.913 5.822 1.00 0.00 H new ATOM 0 HA3 GLY A 12 8.849 17.656 5.683 1.00 0.00 H new ATOM 172 N THR A 13 6.348 16.035 7.122 1.00 0.00 N ATOM 173 CA THR A 13 5.345 16.096 8.160 1.00 0.00 C ATOM 174 C THR A 13 5.997 15.718 9.496 1.00 0.00 C ATOM 175 O THR A 13 6.547 14.615 9.595 1.00 0.00 O ATOM 176 CB THR A 13 4.199 15.138 7.768 1.00 0.00 C ATOM 177 OG1 THR A 13 4.022 15.111 6.355 1.00 0.00 O ATOM 178 CG2 THR A 13 2.876 15.548 8.418 1.00 0.00 C ATOM 0 H THR A 13 6.130 15.343 6.405 1.00 0.00 H new ATOM 0 HA THR A 13 4.929 17.097 8.272 1.00 0.00 H new ATOM 0 HB THR A 13 4.480 14.147 8.125 1.00 0.00 H new ATOM 0 HG1 THR A 13 3.293 14.497 6.128 1.00 0.00 H new ATOM 0 HG21 THR A 13 2.093 14.851 8.120 1.00 0.00 H new ATOM 0 HG22 THR A 13 2.983 15.531 9.503 1.00 0.00 H new ATOM 0 HG23 THR A 13 2.609 16.554 8.096 1.00 0.00 H new ATOM 186 N PRO A 14 5.921 16.563 10.543 1.00 0.00 N ATOM 187 CA PRO A 14 6.379 16.206 11.882 1.00 0.00 C ATOM 188 C PRO A 14 5.772 14.894 12.390 1.00 0.00 C ATOM 189 O PRO A 14 6.394 14.203 13.191 1.00 0.00 O ATOM 190 CB PRO A 14 5.986 17.381 12.784 1.00 0.00 C ATOM 191 CG PRO A 14 5.936 18.565 11.823 1.00 0.00 C ATOM 192 CD PRO A 14 5.431 17.936 10.528 1.00 0.00 C ATOM 0 HA PRO A 14 7.455 16.033 11.879 1.00 0.00 H new ATOM 0 HB2 PRO A 14 5.022 17.213 13.265 1.00 0.00 H new ATOM 0 HB3 PRO A 14 6.716 17.539 13.578 1.00 0.00 H new ATOM 0 HG2 PRO A 14 5.265 19.346 12.180 1.00 0.00 H new ATOM 0 HG3 PRO A 14 6.917 19.022 11.694 1.00 0.00 H new ATOM 0 HD2 PRO A 14 4.343 17.963 10.477 1.00 0.00 H new ATOM 0 HD3 PRO A 14 5.804 18.476 9.658 1.00 0.00 H new ATOM 200 N GLU A 15 4.574 14.538 11.914 1.00 0.00 N ATOM 201 CA GLU A 15 3.867 13.329 12.326 1.00 0.00 C ATOM 202 C GLU A 15 4.563 12.069 11.783 1.00 0.00 C ATOM 203 O GLU A 15 4.475 10.999 12.381 1.00 0.00 O ATOM 204 CB GLU A 15 2.412 13.425 11.830 1.00 0.00 C ATOM 205 CG GLU A 15 1.438 12.458 12.522 1.00 0.00 C ATOM 206 CD GLU A 15 1.114 12.886 13.965 1.00 0.00 C ATOM 207 OE1 GLU A 15 1.937 12.643 14.876 1.00 0.00 O ATOM 208 OE2 GLU A 15 0.025 13.459 14.201 1.00 0.00 O ATOM 0 H GLU A 15 4.065 15.091 11.224 1.00 0.00 H new ATOM 0 HA GLU A 15 3.876 13.248 13.413 1.00 0.00 H new ATOM 0 HB2 GLU A 15 2.058 14.445 11.978 1.00 0.00 H new ATOM 0 HB3 GLU A 15 2.394 13.233 10.757 1.00 0.00 H new ATOM 0 HG2 GLU A 15 0.514 12.403 11.946 1.00 0.00 H new ATOM 0 HG3 GLU A 15 1.869 11.457 12.531 1.00 0.00 H new ATOM 215 N GLU A 16 5.282 12.197 10.663 1.00 0.00 N ATOM 216 CA GLU A 16 5.863 11.078 9.923 1.00 0.00 C ATOM 217 C GLU A 16 7.351 10.995 10.227 1.00 0.00 C ATOM 218 O GLU A 16 7.879 9.906 10.436 1.00 0.00 O ATOM 219 CB GLU A 16 5.623 11.275 8.417 1.00 0.00 C ATOM 220 CG GLU A 16 4.130 11.273 8.070 1.00 0.00 C ATOM 221 CD GLU A 16 3.496 9.872 8.160 1.00 0.00 C ATOM 222 OE1 GLU A 16 3.581 9.097 7.181 1.00 0.00 O ATOM 223 OE2 GLU A 16 2.876 9.544 9.196 1.00 0.00 O ATOM 0 H GLU A 16 5.479 13.103 10.238 1.00 0.00 H new ATOM 0 HA GLU A 16 5.390 10.144 10.227 1.00 0.00 H new ATOM 0 HB2 GLU A 16 6.068 12.218 8.099 1.00 0.00 H new ATOM 0 HB3 GLU A 16 6.125 10.482 7.863 1.00 0.00 H new ATOM 0 HG2 GLU A 16 3.604 11.948 8.745 1.00 0.00 H new ATOM 0 HG3 GLU A 16 3.996 11.663 7.061 1.00 0.00 H new ATOM 230 N LEU A 17 8.015 12.146 10.373 1.00 0.00 N ATOM 231 CA LEU A 17 9.387 12.248 10.872 1.00 0.00 C ATOM 232 C LEU A 17 9.570 11.538 12.222 1.00 0.00 C ATOM 233 O LEU A 17 10.699 11.185 12.562 1.00 0.00 O ATOM 234 CB LEU A 17 9.794 13.730 10.989 1.00 0.00 C ATOM 235 CG LEU A 17 10.073 14.425 9.641 1.00 0.00 C ATOM 236 CD1 LEU A 17 10.174 15.938 9.846 1.00 0.00 C ATOM 237 CD2 LEU A 17 11.378 13.925 9.008 1.00 0.00 C ATOM 0 H LEU A 17 7.604 13.051 10.142 1.00 0.00 H new ATOM 0 HA LEU A 17 10.035 11.745 10.154 1.00 0.00 H new ATOM 0 HB2 LEU A 17 9.001 14.272 11.505 1.00 0.00 H new ATOM 0 HB3 LEU A 17 10.686 13.801 11.611 1.00 0.00 H new ATOM 0 HG LEU A 17 9.246 14.187 8.972 1.00 0.00 H new ATOM 0 HD11 LEU A 17 10.371 16.422 8.890 1.00 0.00 H new ATOM 0 HD12 LEU A 17 9.236 16.313 10.256 1.00 0.00 H new ATOM 0 HD13 LEU A 17 10.987 16.158 10.538 1.00 0.00 H new ATOM 0 HD21 LEU A 17 11.542 14.437 8.060 1.00 0.00 H new ATOM 0 HD22 LEU A 17 12.211 14.131 9.680 1.00 0.00 H new ATOM 0 HD23 LEU A 17 11.310 12.851 8.834 1.00 0.00 H new ATOM 249 N LYS A 18 8.486 11.271 12.968 1.00 0.00 N ATOM 250 CA LYS A 18 8.545 10.464 14.194 1.00 0.00 C ATOM 251 C LYS A 18 9.087 9.052 13.944 1.00 0.00 C ATOM 252 O LYS A 18 9.666 8.471 14.863 1.00 0.00 O ATOM 253 CB LYS A 18 7.156 10.369 14.849 1.00 0.00 C ATOM 254 CG LYS A 18 6.775 11.666 15.573 1.00 0.00 C ATOM 255 CD LYS A 18 5.316 11.632 16.042 1.00 0.00 C ATOM 256 CE LYS A 18 4.945 12.966 16.702 1.00 0.00 C ATOM 257 NZ LYS A 18 3.521 13.001 17.111 1.00 0.00 N ATOM 0 H LYS A 18 7.550 11.607 12.739 1.00 0.00 H new ATOM 0 HA LYS A 18 9.237 10.973 14.865 1.00 0.00 H new ATOM 0 HB2 LYS A 18 6.410 10.146 14.087 1.00 0.00 H new ATOM 0 HB3 LYS A 18 7.145 9.541 15.558 1.00 0.00 H new ATOM 0 HG2 LYS A 18 7.432 11.813 16.430 1.00 0.00 H new ATOM 0 HG3 LYS A 18 6.926 12.515 14.906 1.00 0.00 H new ATOM 0 HD2 LYS A 18 4.658 11.441 15.195 1.00 0.00 H new ATOM 0 HD3 LYS A 18 5.172 10.815 16.749 1.00 0.00 H new ATOM 0 HE2 LYS A 18 5.578 13.128 17.575 1.00 0.00 H new ATOM 0 HE3 LYS A 18 5.144 13.783 16.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 3.251 13.977 17.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 2.927 12.657 16.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 3.384 12.393 17.944 1.00 0.00 H new ATOM 271 N LYS A 19 8.903 8.489 12.743 1.00 0.00 N ATOM 272 CA LYS A 19 9.258 7.099 12.440 1.00 0.00 C ATOM 273 C LYS A 19 10.053 6.992 11.147 1.00 0.00 C ATOM 274 O LYS A 19 10.995 6.208 11.088 1.00 0.00 O ATOM 275 CB LYS A 19 7.989 6.229 12.354 1.00 0.00 C ATOM 276 CG LYS A 19 7.233 6.140 13.691 1.00 0.00 C ATOM 277 CD LYS A 19 6.029 5.197 13.584 1.00 0.00 C ATOM 278 CE LYS A 19 5.291 5.129 14.928 1.00 0.00 C ATOM 279 NZ LYS A 19 4.117 4.223 14.881 1.00 0.00 N ATOM 0 H LYS A 19 8.501 8.989 11.950 1.00 0.00 H new ATOM 0 HA LYS A 19 9.889 6.736 13.251 1.00 0.00 H new ATOM 0 HB2 LYS A 19 7.325 6.639 11.593 1.00 0.00 H new ATOM 0 HB3 LYS A 19 8.264 5.225 12.030 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.908 5.786 14.471 1.00 0.00 H new ATOM 0 HG3 LYS A 19 6.896 7.133 13.988 1.00 0.00 H new ATOM 0 HD2 LYS A 19 5.351 5.547 12.805 1.00 0.00 H new ATOM 0 HD3 LYS A 19 6.362 4.201 13.292 1.00 0.00 H new ATOM 0 HE2 LYS A 19 5.980 4.788 15.701 1.00 0.00 H new ATOM 0 HE3 LYS A 19 4.964 6.129 15.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 3.651 4.210 15.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 3.446 4.561 14.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 4.430 3.262 14.637 1.00 0.00 H new ATOM 293 N LEU A 20 9.743 7.796 10.128 1.00 0.00 N ATOM 294 CA LEU A 20 10.405 7.710 8.827 1.00 0.00 C ATOM 295 C LEU A 20 11.904 7.988 8.945 1.00 0.00 C ATOM 296 O LEU A 20 12.709 7.296 8.326 1.00 0.00 O ATOM 297 CB LEU A 20 9.746 8.659 7.818 1.00 0.00 C ATOM 298 CG LEU A 20 8.550 8.036 7.075 1.00 0.00 C ATOM 299 CD1 LEU A 20 8.963 6.851 6.193 1.00 0.00 C ATOM 300 CD2 LEU A 20 7.384 7.594 7.969 1.00 0.00 C ATOM 0 H LEU A 20 9.029 8.522 10.182 1.00 0.00 H new ATOM 0 HA LEU A 20 10.289 6.690 8.460 1.00 0.00 H new ATOM 0 HB2 LEU A 20 9.411 9.555 8.340 1.00 0.00 H new ATOM 0 HB3 LEU A 20 10.492 8.975 7.088 1.00 0.00 H new ATOM 0 HG LEU A 20 8.191 8.860 6.459 1.00 0.00 H new ATOM 0 HD11 LEU A 20 8.084 6.447 5.691 1.00 0.00 H new ATOM 0 HD12 LEU A 20 9.684 7.186 5.448 1.00 0.00 H new ATOM 0 HD13 LEU A 20 9.415 6.076 6.813 1.00 0.00 H new ATOM 0 HD21 LEU A 20 6.593 7.169 7.351 1.00 0.00 H new ATOM 0 HD22 LEU A 20 7.733 6.844 8.678 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.996 8.455 8.513 1.00 0.00 H new ATOM 312 N LYS A 21 12.294 8.970 9.766 1.00 0.00 N ATOM 313 CA LYS A 21 13.704 9.281 9.987 1.00 0.00 C ATOM 314 C LYS A 21 14.410 8.137 10.719 1.00 0.00 C ATOM 315 O LYS A 21 15.588 7.895 10.463 1.00 0.00 O ATOM 316 CB LYS A 21 13.819 10.617 10.744 1.00 0.00 C ATOM 317 CG LYS A 21 15.252 11.144 10.934 1.00 0.00 C ATOM 318 CD LYS A 21 16.041 11.278 9.620 1.00 0.00 C ATOM 319 CE LYS A 21 17.315 12.103 9.855 1.00 0.00 C ATOM 320 NZ LYS A 21 18.115 12.278 8.616 1.00 0.00 N ATOM 0 H LYS A 21 11.648 9.562 10.288 1.00 0.00 H new ATOM 0 HA LYS A 21 14.208 9.390 9.027 1.00 0.00 H new ATOM 0 HB2 LYS A 21 13.241 11.370 10.209 1.00 0.00 H new ATOM 0 HB3 LYS A 21 13.359 10.500 11.725 1.00 0.00 H new ATOM 0 HG2 LYS A 21 15.210 12.117 11.423 1.00 0.00 H new ATOM 0 HG3 LYS A 21 15.790 10.474 11.604 1.00 0.00 H new ATOM 0 HD2 LYS A 21 16.302 10.290 9.241 1.00 0.00 H new ATOM 0 HD3 LYS A 21 15.422 11.757 8.862 1.00 0.00 H new ATOM 0 HE2 LYS A 21 17.043 13.082 10.249 1.00 0.00 H new ATOM 0 HE3 LYS A 21 17.927 11.613 10.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 18.964 12.841 8.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 18.400 11.346 8.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 17.543 12.769 7.900 1.00 0.00 H new ATOM 334 N GLU A 22 13.710 7.417 11.600 1.00 0.00 N ATOM 335 CA GLU A 22 14.275 6.250 12.264 1.00 0.00 C ATOM 336 C GLU A 22 14.465 5.133 11.238 1.00 0.00 C ATOM 337 O GLU A 22 15.547 4.565 11.168 1.00 0.00 O ATOM 338 CB GLU A 22 13.390 5.820 13.446 1.00 0.00 C ATOM 339 CG GLU A 22 14.040 4.698 14.266 1.00 0.00 C ATOM 340 CD GLU A 22 13.197 4.342 15.503 1.00 0.00 C ATOM 341 OE1 GLU A 22 12.295 3.480 15.406 1.00 0.00 O ATOM 342 OE2 GLU A 22 13.443 4.905 16.595 1.00 0.00 O ATOM 0 H GLU A 22 12.748 7.627 11.867 1.00 0.00 H new ATOM 0 HA GLU A 22 15.252 6.494 12.681 1.00 0.00 H new ATOM 0 HB2 GLU A 22 13.202 6.679 14.090 1.00 0.00 H new ATOM 0 HB3 GLU A 22 12.423 5.484 13.072 1.00 0.00 H new ATOM 0 HG2 GLU A 22 14.162 3.813 13.641 1.00 0.00 H new ATOM 0 HG3 GLU A 22 15.037 5.007 14.580 1.00 0.00 H new ATOM 349 N GLU A 23 13.471 4.852 10.389 1.00 0.00 N ATOM 350 CA GLU A 23 13.552 3.821 9.353 1.00 0.00 C ATOM 351 C GLU A 23 14.719 4.090 8.402 1.00 0.00 C ATOM 352 O GLU A 23 15.452 3.163 8.062 1.00 0.00 O ATOM 353 CB GLU A 23 12.237 3.728 8.563 1.00 0.00 C ATOM 354 CG GLU A 23 11.101 3.088 9.370 1.00 0.00 C ATOM 355 CD GLU A 23 9.817 2.965 8.530 1.00 0.00 C ATOM 356 OE1 GLU A 23 9.832 2.244 7.507 1.00 0.00 O ATOM 357 OE2 GLU A 23 8.781 3.560 8.907 1.00 0.00 O ATOM 0 H GLU A 23 12.576 5.342 10.404 1.00 0.00 H new ATOM 0 HA GLU A 23 13.724 2.867 9.851 1.00 0.00 H new ATOM 0 HB2 GLU A 23 11.935 4.728 8.250 1.00 0.00 H new ATOM 0 HB3 GLU A 23 12.404 3.147 7.656 1.00 0.00 H new ATOM 0 HG2 GLU A 23 11.409 2.101 9.714 1.00 0.00 H new ATOM 0 HG3 GLU A 23 10.901 3.687 10.258 1.00 0.00 H new ATOM 364 N ALA A 24 14.943 5.357 8.039 1.00 0.00 N ATOM 365 CA ALA A 24 16.046 5.781 7.179 1.00 0.00 C ATOM 366 C ALA A 24 17.432 5.467 7.763 1.00 0.00 C ATOM 367 O ALA A 24 18.427 5.521 7.039 1.00 0.00 O ATOM 368 CB ALA A 24 15.925 7.286 6.926 1.00 0.00 C ATOM 0 H ALA A 24 14.350 6.129 8.342 1.00 0.00 H new ATOM 0 HA ALA A 24 15.967 5.216 6.250 1.00 0.00 H new ATOM 0 HB1 ALA A 24 16.743 7.614 6.285 1.00 0.00 H new ATOM 0 HB2 ALA A 24 14.974 7.497 6.437 1.00 0.00 H new ATOM 0 HB3 ALA A 24 15.972 7.819 7.875 1.00 0.00 H new ATOM 374 N LYS A 25 17.509 5.163 9.062 1.00 0.00 N ATOM 375 CA LYS A 25 18.743 4.850 9.777 1.00 0.00 C ATOM 376 C LYS A 25 18.729 3.389 10.234 1.00 0.00 C ATOM 377 O LYS A 25 19.790 2.769 10.312 1.00 0.00 O ATOM 378 CB LYS A 25 18.889 5.812 10.971 1.00 0.00 C ATOM 379 CG LYS A 25 19.042 7.282 10.530 1.00 0.00 C ATOM 380 CD LYS A 25 18.920 8.280 11.692 1.00 0.00 C ATOM 381 CE LYS A 25 20.051 8.110 12.719 1.00 0.00 C ATOM 382 NZ LYS A 25 19.964 9.097 13.824 1.00 0.00 N ATOM 0 H LYS A 25 16.685 5.128 9.662 1.00 0.00 H new ATOM 0 HA LYS A 25 19.601 4.980 9.117 1.00 0.00 H new ATOM 0 HB2 LYS A 25 18.016 5.719 11.617 1.00 0.00 H new ATOM 0 HB3 LYS A 25 19.757 5.522 11.563 1.00 0.00 H new ATOM 0 HG2 LYS A 25 20.012 7.411 10.049 1.00 0.00 H new ATOM 0 HG3 LYS A 25 18.283 7.511 9.782 1.00 0.00 H new ATOM 0 HD2 LYS A 25 18.937 9.297 11.300 1.00 0.00 H new ATOM 0 HD3 LYS A 25 17.958 8.145 12.186 1.00 0.00 H new ATOM 0 HE2 LYS A 25 20.015 7.102 13.132 1.00 0.00 H new ATOM 0 HE3 LYS A 25 21.013 8.214 12.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 20.747 8.942 14.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 20.025 10.060 13.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 19.058 8.982 14.322 1.00 0.00 H new ATOM 396 N LYS A 26 17.549 2.819 10.507 1.00 0.00 N ATOM 397 CA LYS A 26 17.394 1.429 10.921 1.00 0.00 C ATOM 398 C LYS A 26 17.626 0.492 9.738 1.00 0.00 C ATOM 399 O LYS A 26 18.161 -0.600 9.932 1.00 0.00 O ATOM 400 CB LYS A 26 15.982 1.238 11.508 1.00 0.00 C ATOM 401 CG LYS A 26 15.701 -0.148 12.114 1.00 0.00 C ATOM 402 CD LYS A 26 16.629 -0.497 13.291 1.00 0.00 C ATOM 403 CE LYS A 26 16.212 -1.795 14.003 1.00 0.00 C ATOM 404 NZ LYS A 26 16.405 -3.008 13.167 1.00 0.00 N ATOM 0 H LYS A 26 16.664 3.323 10.444 1.00 0.00 H new ATOM 0 HA LYS A 26 18.134 1.187 11.683 1.00 0.00 H new ATOM 0 HB2 LYS A 26 15.822 1.992 12.279 1.00 0.00 H new ATOM 0 HB3 LYS A 26 15.251 1.427 10.721 1.00 0.00 H new ATOM 0 HG2 LYS A 26 14.666 -0.186 12.453 1.00 0.00 H new ATOM 0 HG3 LYS A 26 15.810 -0.905 11.338 1.00 0.00 H new ATOM 0 HD2 LYS A 26 17.651 -0.598 12.926 1.00 0.00 H new ATOM 0 HD3 LYS A 26 16.626 0.324 14.008 1.00 0.00 H new ATOM 0 HE2 LYS A 26 16.789 -1.899 14.922 1.00 0.00 H new ATOM 0 HE3 LYS A 26 15.163 -1.723 14.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 16.107 -3.849 13.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 15.834 -2.927 12.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 17.409 -3.098 12.913 1.00 0.00 H new ATOM 418 N ALA A 27 17.234 0.904 8.530 1.00 0.00 N ATOM 419 CA ALA A 27 17.257 0.077 7.333 1.00 0.00 C ATOM 420 C ALA A 27 17.863 0.847 6.156 1.00 0.00 C ATOM 421 O ALA A 27 18.043 2.064 6.200 1.00 0.00 O ATOM 422 CB ALA A 27 15.825 -0.390 7.025 1.00 0.00 C ATOM 0 H ALA A 27 16.884 1.847 8.359 1.00 0.00 H new ATOM 0 HA ALA A 27 17.886 -0.798 7.500 1.00 0.00 H new ATOM 0 HB1 ALA A 27 15.830 -1.011 6.129 1.00 0.00 H new ATOM 0 HB2 ALA A 27 15.442 -0.969 7.866 1.00 0.00 H new ATOM 0 HB3 ALA A 27 15.186 0.478 6.861 1.00 0.00 H new ATOM 428 N ASN A 28 18.151 0.107 5.084 1.00 0.00 N ATOM 429 CA ASN A 28 18.775 0.588 3.845 1.00 0.00 C ATOM 430 C ASN A 28 17.864 1.516 3.017 1.00 0.00 C ATOM 431 O ASN A 28 18.311 2.102 2.030 1.00 0.00 O ATOM 432 CB ASN A 28 19.173 -0.654 3.028 1.00 0.00 C ATOM 433 CG ASN A 28 19.833 -0.318 1.692 1.00 0.00 C ATOM 434 OD1 ASN A 28 20.983 0.108 1.643 1.00 0.00 O ATOM 435 ND2 ASN A 28 19.136 -0.537 0.589 1.00 0.00 N ATOM 0 H ASN A 28 17.947 -0.892 5.052 1.00 0.00 H new ATOM 0 HA ASN A 28 19.642 1.197 4.101 1.00 0.00 H new ATOM 0 HB2 ASN A 28 19.856 -1.264 3.619 1.00 0.00 H new ATOM 0 HB3 ASN A 28 18.285 -1.258 2.844 1.00 0.00 H new ATOM 0 HD21 ASN A 28 19.553 -0.352 -0.323 1.00 0.00 H new ATOM 0 HD22 ASN A 28 18.182 -0.891 0.651 1.00 0.00 H new ATOM 442 N ILE A 29 16.584 1.629 3.382 1.00 0.00 N ATOM 443 CA ILE A 29 15.560 2.347 2.624 1.00 0.00 C ATOM 444 C ILE A 29 15.904 3.835 2.461 1.00 0.00 C ATOM 445 O ILE A 29 16.654 4.400 3.263 1.00 0.00 O ATOM 446 CB ILE A 29 14.163 2.090 3.246 1.00 0.00 C ATOM 447 CG1 ILE A 29 13.960 2.567 4.702 1.00 0.00 C ATOM 448 CG2 ILE A 29 13.903 0.575 3.264 1.00 0.00 C ATOM 449 CD1 ILE A 29 13.616 4.052 4.848 1.00 0.00 C ATOM 0 H ILE A 29 16.223 1.210 4.239 1.00 0.00 H new ATOM 0 HA ILE A 29 15.531 1.957 1.607 1.00 0.00 H new ATOM 0 HB ILE A 29 13.483 2.669 2.620 1.00 0.00 H new ATOM 0 HG12 ILE A 29 13.163 1.977 5.155 1.00 0.00 H new ATOM 0 HG13 ILE A 29 14.869 2.362 5.267 1.00 0.00 H new ATOM 0 HG21 ILE A 29 12.923 0.379 3.699 1.00 0.00 H new ATOM 0 HG22 ILE A 29 13.931 0.189 2.245 1.00 0.00 H new ATOM 0 HG23 ILE A 29 14.670 0.081 3.860 1.00 0.00 H new ATOM 0 HD11 ILE A 29 13.492 4.295 5.903 1.00 0.00 H new ATOM 0 HD12 ILE A 29 14.422 4.655 4.429 1.00 0.00 H new ATOM 0 HD13 ILE A 29 12.689 4.265 4.315 1.00 0.00 H new ATOM 461 N ARG A 30 15.336 4.478 1.432 1.00 0.00 N ATOM 462 CA ARG A 30 15.492 5.917 1.224 1.00 0.00 C ATOM 463 C ARG A 30 14.283 6.649 1.786 1.00 0.00 C ATOM 464 O ARG A 30 13.200 6.086 1.936 1.00 0.00 O ATOM 465 CB ARG A 30 15.761 6.252 -0.260 1.00 0.00 C ATOM 466 CG ARG A 30 14.582 6.008 -1.220 1.00 0.00 C ATOM 467 CD ARG A 30 14.854 6.586 -2.615 1.00 0.00 C ATOM 468 NE ARG A 30 15.845 5.793 -3.365 1.00 0.00 N ATOM 469 CZ ARG A 30 15.571 4.800 -4.222 1.00 0.00 C ATOM 470 NH1 ARG A 30 14.316 4.408 -4.436 1.00 0.00 N ATOM 471 NH2 ARG A 30 16.564 4.199 -4.869 1.00 0.00 N ATOM 0 H ARG A 30 14.761 4.016 0.728 1.00 0.00 H new ATOM 0 HA ARG A 30 16.372 6.263 1.767 1.00 0.00 H new ATOM 0 HB2 ARG A 30 16.053 7.300 -0.330 1.00 0.00 H new ATOM 0 HB3 ARG A 30 16.611 5.661 -0.599 1.00 0.00 H new ATOM 0 HG2 ARG A 30 14.394 4.937 -1.300 1.00 0.00 H new ATOM 0 HG3 ARG A 30 13.679 6.460 -0.809 1.00 0.00 H new ATOM 0 HD2 ARG A 30 13.921 6.625 -3.178 1.00 0.00 H new ATOM 0 HD3 ARG A 30 15.211 7.611 -2.518 1.00 0.00 H new ATOM 0 HE ARG A 30 16.828 6.021 -3.218 1.00 0.00 H new ATOM 0 HH11 ARG A 30 13.548 4.865 -3.944 1.00 0.00 H new ATOM 0 HH12 ARG A 30 14.123 3.651 -5.091 1.00 0.00 H new ATOM 0 HH21 ARG A 30 17.528 4.494 -4.712 1.00 0.00 H new ATOM 0 HH22 ARG A 30 16.363 3.442 -5.523 1.00 0.00 H new ATOM 485 N VAL A 31 14.478 7.934 2.039 1.00 0.00 N ATOM 486 CA VAL A 31 13.434 8.881 2.401 1.00 0.00 C ATOM 487 C VAL A 31 13.725 10.180 1.660 1.00 0.00 C ATOM 488 O VAL A 31 14.868 10.462 1.287 1.00 0.00 O ATOM 489 CB VAL A 31 13.357 9.081 3.933 1.00 0.00 C ATOM 490 CG1 VAL A 31 12.874 7.810 4.647 1.00 0.00 C ATOM 491 CG2 VAL A 31 14.692 9.538 4.547 1.00 0.00 C ATOM 0 H VAL A 31 15.403 8.362 1.996 1.00 0.00 H new ATOM 0 HA VAL A 31 12.454 8.503 2.110 1.00 0.00 H new ATOM 0 HB VAL A 31 12.629 9.878 4.086 1.00 0.00 H new ATOM 0 HG11 VAL A 31 12.833 7.990 5.721 1.00 0.00 H new ATOM 0 HG12 VAL A 31 11.881 7.545 4.285 1.00 0.00 H new ATOM 0 HG13 VAL A 31 13.565 6.993 4.442 1.00 0.00 H new ATOM 0 HG21 VAL A 31 14.574 9.661 5.624 1.00 0.00 H new ATOM 0 HG22 VAL A 31 15.459 8.789 4.349 1.00 0.00 H new ATOM 0 HG23 VAL A 31 14.990 10.488 4.104 1.00 0.00 H new ATOM 501 N THR A 32 12.687 10.972 1.430 1.00 0.00 N ATOM 502 CA THR A 32 12.796 12.333 0.914 1.00 0.00 C ATOM 503 C THR A 32 11.616 13.114 1.495 1.00 0.00 C ATOM 504 O THR A 32 10.530 12.559 1.681 1.00 0.00 O ATOM 505 CB THR A 32 12.823 12.313 -0.630 1.00 0.00 C ATOM 506 OG1 THR A 32 13.844 11.455 -1.109 1.00 0.00 O ATOM 507 CG2 THR A 32 13.070 13.696 -1.245 1.00 0.00 C ATOM 0 H THR A 32 11.724 10.682 1.600 1.00 0.00 H new ATOM 0 HA THR A 32 13.724 12.820 1.212 1.00 0.00 H new ATOM 0 HB THR A 32 11.836 11.960 -0.928 1.00 0.00 H new ATOM 0 HG1 THR A 32 13.840 11.458 -2.089 1.00 0.00 H new ATOM 0 HG21 THR A 32 13.078 13.615 -2.332 1.00 0.00 H new ATOM 0 HG22 THR A 32 12.277 14.378 -0.938 1.00 0.00 H new ATOM 0 HG23 THR A 32 14.031 14.080 -0.903 1.00 0.00 H new ATOM 515 N PHE A 33 11.839 14.389 1.807 1.00 0.00 N ATOM 516 CA PHE A 33 10.912 15.217 2.564 1.00 0.00 C ATOM 517 C PHE A 33 10.718 16.521 1.789 1.00 0.00 C ATOM 518 O PHE A 33 11.640 17.336 1.709 1.00 0.00 O ATOM 519 CB PHE A 33 11.496 15.454 3.972 1.00 0.00 C ATOM 520 CG PHE A 33 11.903 14.206 4.747 1.00 0.00 C ATOM 521 CD1 PHE A 33 10.928 13.326 5.254 1.00 0.00 C ATOM 522 CD2 PHE A 33 13.266 13.929 4.982 1.00 0.00 C ATOM 523 CE1 PHE A 33 11.304 12.195 6.000 1.00 0.00 C ATOM 524 CE2 PHE A 33 13.644 12.797 5.730 1.00 0.00 C ATOM 525 CZ PHE A 33 12.663 11.936 6.250 1.00 0.00 C ATOM 0 H PHE A 33 12.688 14.883 1.533 1.00 0.00 H new ATOM 0 HA PHE A 33 9.940 14.739 2.689 1.00 0.00 H new ATOM 0 HB2 PHE A 33 12.369 16.099 3.877 1.00 0.00 H new ATOM 0 HB3 PHE A 33 10.759 15.999 4.562 1.00 0.00 H new ATOM 0 HD1 PHE A 33 9.882 13.521 5.068 1.00 0.00 H new ATOM 0 HD2 PHE A 33 14.024 14.589 4.586 1.00 0.00 H new ATOM 0 HE1 PHE A 33 10.548 11.525 6.381 1.00 0.00 H new ATOM 0 HE2 PHE A 33 14.690 12.590 5.904 1.00 0.00 H new ATOM 0 HZ PHE A 33 12.952 11.078 6.840 1.00 0.00 H new ATOM 535 N TRP A 34 9.550 16.698 1.166 1.00 0.00 N ATOM 536 CA TRP A 34 9.256 17.897 0.384 1.00 0.00 C ATOM 537 C TRP A 34 8.755 19.014 1.296 1.00 0.00 C ATOM 538 O TRP A 34 8.084 18.751 2.294 1.00 0.00 O ATOM 539 CB TRP A 34 8.218 17.576 -0.703 1.00 0.00 C ATOM 540 CG TRP A 34 8.809 16.925 -1.917 1.00 0.00 C ATOM 541 CD1 TRP A 34 9.142 17.567 -3.058 1.00 0.00 C ATOM 542 CD2 TRP A 34 9.195 15.531 -2.121 1.00 0.00 C ATOM 543 NE1 TRP A 34 9.710 16.680 -3.948 1.00 0.00 N ATOM 544 CE2 TRP A 34 9.777 15.408 -3.422 1.00 0.00 C ATOM 545 CE3 TRP A 34 9.134 14.360 -1.336 1.00 0.00 C ATOM 546 CZ2 TRP A 34 10.269 14.189 -3.915 1.00 0.00 C ATOM 547 CZ3 TRP A 34 9.636 13.138 -1.818 1.00 0.00 C ATOM 548 CH2 TRP A 34 10.195 13.046 -3.105 1.00 0.00 C ATOM 0 H TRP A 34 8.789 16.019 1.190 1.00 0.00 H new ATOM 0 HA TRP A 34 10.171 18.236 -0.101 1.00 0.00 H new ATOM 0 HB2 TRP A 34 7.455 16.921 -0.284 1.00 0.00 H new ATOM 0 HB3 TRP A 34 7.718 18.498 -1.001 1.00 0.00 H new ATOM 0 HD1 TRP A 34 8.986 18.619 -3.245 1.00 0.00 H new ATOM 0 HE1 TRP A 34 10.039 16.934 -4.879 1.00 0.00 H new ATOM 0 HE3 TRP A 34 8.695 14.403 -0.350 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 10.699 14.132 -4.904 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 9.592 12.259 -1.192 1.00 0.00 H new ATOM 0 HH2 TRP A 34 10.566 12.099 -3.468 1.00 0.00 H new ATOM 559 N GLY A 35 8.997 20.266 0.905 1.00 0.00 N ATOM 560 CA GLY A 35 8.417 21.450 1.531 1.00 0.00 C ATOM 561 C GLY A 35 7.016 21.702 0.966 1.00 0.00 C ATOM 562 O GLY A 35 6.714 22.817 0.538 1.00 0.00 O ATOM 0 H GLY A 35 9.617 20.488 0.126 1.00 0.00 H new ATOM 0 HA2 GLY A 35 8.364 21.313 2.611 1.00 0.00 H new ATOM 0 HA3 GLY A 35 9.053 22.317 1.351 1.00 0.00 H new ATOM 566 N ASP A 36 6.208 20.642 0.865 1.00 0.00 N ATOM 567 CA ASP A 36 4.885 20.650 0.243 1.00 0.00 C ATOM 568 C ASP A 36 3.966 21.675 0.906 1.00 0.00 C ATOM 569 O ASP A 36 3.902 21.714 2.153 1.00 0.00 O ATOM 570 CB ASP A 36 4.245 19.261 0.304 1.00 0.00 C ATOM 571 CG ASP A 36 2.804 19.318 -0.229 1.00 0.00 C ATOM 572 OD1 ASP A 36 2.617 19.420 -1.463 1.00 0.00 O ATOM 573 OD2 ASP A 36 1.849 19.237 0.578 1.00 0.00 O ATOM 574 OXT ASP A 36 3.319 22.453 0.177 1.00 0.00 O ATOM 0 H ASP A 36 6.468 19.725 1.227 1.00 0.00 H new ATOM 0 HA ASP A 36 5.018 20.931 -0.802 1.00 0.00 H new ATOM 0 HB2 ASP A 36 4.831 18.556 -0.286 1.00 0.00 H new ATOM 0 HB3 ASP A 36 4.247 18.896 1.331 1.00 0.00 H new TER 579 ASP A 36