USER MOD reduce.3.24.130724 H: found=0, std=0, add=431, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 429 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 ALA N :NH3+ 145:sc= 0.0183 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -0.294 X(o=-0.29,f=-0.09) USER MOD Single : A 7 SER OG : rot -38:sc= 0.458 USER MOD Single : A 9 SER OG : rot 180:sc= 0.0659 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 HIS : no HD1:sc= -0.0585 X(o=-0.058,f=-0.56) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot -71:sc= 0.576 USER MOD Single : A 25 SER OG : rot 75:sc= 1.12 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HD1:sc= -7.58 X(o=-7.6,f=-8.1!) USER MOD Single : A 52 ASN : amide:sc= 0.00747 X(o=0.0075,f=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -8.254 -25.585 -9.714 1.00 0.00 N ATOM 2 CA ALA A 1 -8.529 -26.297 -8.439 1.00 0.00 C ATOM 3 C ALA A 1 -8.929 -25.317 -7.342 1.00 0.00 C ATOM 4 O ALA A 1 -8.435 -24.190 -7.291 1.00 0.00 O ATOM 5 CB ALA A 1 -7.310 -27.100 -8.010 1.00 0.00 C ATOM 0 H1 ALA A 1 -7.481 -26.064 -10.219 1.00 0.00 H new ATOM 0 H2 ALA A 1 -9.109 -25.589 -10.306 1.00 0.00 H new ATOM 0 H3 ALA A 1 -7.979 -24.603 -9.511 1.00 0.00 H new ATOM 0 HA ALA A 1 -9.362 -26.981 -8.604 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -7.525 -27.616 -7.075 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -7.066 -27.831 -8.781 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -6.464 -26.428 -7.867 1.00 0.00 H new ATOM 11 N GLU A 2 -9.826 -25.753 -6.463 1.00 0.00 N ATOM 12 CA GLU A 2 -10.292 -24.915 -5.366 1.00 0.00 C ATOM 13 C GLU A 2 -9.748 -25.414 -4.031 1.00 0.00 C ATOM 14 O GLU A 2 -9.377 -24.621 -3.166 1.00 0.00 O ATOM 15 CB GLU A 2 -11.822 -24.891 -5.328 1.00 0.00 C ATOM 16 CG GLU A 2 -12.459 -24.637 -6.685 1.00 0.00 C ATOM 17 CD GLU A 2 -12.454 -23.169 -7.066 1.00 0.00 C ATOM 18 OE1 GLU A 2 -13.408 -22.455 -6.693 1.00 0.00 O ATOM 19 OE2 GLU A 2 -11.495 -22.734 -7.737 1.00 0.00 O ATOM 0 H GLU A 2 -10.244 -26.683 -6.490 1.00 0.00 H new ATOM 0 HA GLU A 2 -9.923 -23.903 -5.534 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -12.183 -25.843 -4.939 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -12.148 -24.118 -4.632 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -11.926 -25.208 -7.445 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -13.486 -25.002 -6.674 1.00 0.00 H new ATOM 26 N VAL A 3 -9.703 -26.733 -3.872 1.00 0.00 N ATOM 27 CA VAL A 3 -9.204 -27.338 -2.644 1.00 0.00 C ATOM 28 C VAL A 3 -9.223 -28.860 -2.736 1.00 0.00 C ATOM 29 O VAL A 3 -8.260 -29.525 -2.352 1.00 0.00 O ATOM 30 CB VAL A 3 -10.031 -26.892 -1.422 1.00 0.00 C ATOM 31 CG1 VAL A 3 -11.482 -27.328 -1.567 1.00 0.00 C ATOM 32 CG2 VAL A 3 -9.428 -27.440 -0.136 1.00 0.00 C ATOM 0 H VAL A 3 -10.006 -27.403 -4.579 1.00 0.00 H new ATOM 0 HA VAL A 3 -8.176 -26.999 -2.517 1.00 0.00 H new ATOM 0 HB VAL A 3 -10.007 -25.803 -1.372 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -12.048 -27.003 -0.694 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -11.909 -26.879 -2.464 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -11.529 -28.414 -1.647 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -10.027 -27.114 0.714 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -9.416 -28.529 -0.175 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -8.409 -27.070 -0.026 1.00 0.00 H new ATOM 42 N LYS A 4 -10.330 -29.401 -3.251 1.00 0.00 N ATOM 43 CA LYS A 4 -10.504 -30.849 -3.407 1.00 0.00 C ATOM 44 C LYS A 4 -9.770 -31.637 -2.321 1.00 0.00 C ATOM 45 O LYS A 4 -9.162 -32.671 -2.593 1.00 0.00 O ATOM 46 CB LYS A 4 -10.014 -31.291 -4.787 1.00 0.00 C ATOM 47 CG LYS A 4 -11.044 -31.100 -5.888 1.00 0.00 C ATOM 48 CD LYS A 4 -10.600 -31.759 -7.185 1.00 0.00 C ATOM 49 CE LYS A 4 -9.433 -31.016 -7.816 1.00 0.00 C ATOM 50 NZ LYS A 4 -8.799 -31.804 -8.909 1.00 0.00 N ATOM 0 H LYS A 4 -11.128 -28.852 -3.570 1.00 0.00 H new ATOM 0 HA LYS A 4 -11.569 -31.061 -3.308 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -9.115 -30.730 -5.041 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -9.732 -32.343 -4.743 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -11.998 -31.521 -5.572 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -11.206 -30.035 -6.056 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -10.312 -32.792 -6.990 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -11.435 -31.788 -7.884 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -9.781 -30.062 -8.211 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -8.689 -30.792 -7.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -8.008 -31.263 -9.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -8.444 -32.704 -8.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -9.502 -31.996 -9.651 1.00 0.00 H new ATOM 64 N GLN A 5 -9.833 -31.136 -1.091 1.00 0.00 N ATOM 65 CA GLN A 5 -9.174 -31.790 0.034 1.00 0.00 C ATOM 66 C GLN A 5 -9.550 -31.116 1.351 1.00 0.00 C ATOM 67 O GLN A 5 -10.397 -31.607 2.097 1.00 0.00 O ATOM 68 CB GLN A 5 -7.654 -31.755 -0.157 1.00 0.00 C ATOM 69 CG GLN A 5 -7.062 -33.091 -0.574 1.00 0.00 C ATOM 70 CD GLN A 5 -5.687 -33.329 0.018 1.00 0.00 C ATOM 71 OE1 GLN A 5 -4.732 -33.629 -0.700 1.00 0.00 O ATOM 72 NE2 GLN A 5 -5.578 -33.196 1.335 1.00 0.00 N ATOM 0 H GLN A 5 -10.333 -30.281 -0.848 1.00 0.00 H new ATOM 0 HA GLN A 5 -9.508 -32.827 0.072 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -7.408 -31.007 -0.911 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -7.187 -31.435 0.774 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -7.731 -33.894 -0.264 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -6.998 -33.132 -1.661 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -6.395 -32.946 1.892 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -4.677 -33.344 1.790 1.00 0.00 H new ATOM 81 N GLU A 6 -8.908 -29.987 1.624 1.00 0.00 N ATOM 82 CA GLU A 6 -9.152 -29.225 2.844 1.00 0.00 C ATOM 83 C GLU A 6 -8.198 -28.040 2.901 1.00 0.00 C ATOM 84 O GLU A 6 -8.594 -26.898 2.664 1.00 0.00 O ATOM 85 CB GLU A 6 -8.980 -30.105 4.089 1.00 0.00 C ATOM 86 CG GLU A 6 -8.006 -31.259 3.904 1.00 0.00 C ATOM 87 CD GLU A 6 -7.091 -31.446 5.099 1.00 0.00 C ATOM 88 OE1 GLU A 6 -6.770 -30.439 5.765 1.00 0.00 O ATOM 89 OE2 GLU A 6 -6.696 -32.600 5.369 1.00 0.00 O ATOM 0 H GLU A 6 -8.206 -29.574 1.009 1.00 0.00 H new ATOM 0 HA GLU A 6 -10.181 -28.865 2.830 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -8.637 -29.483 4.916 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -9.952 -30.506 4.374 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -8.566 -32.178 3.732 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -7.403 -31.082 3.013 1.00 0.00 H new ATOM 96 N SER A 7 -6.933 -28.323 3.191 1.00 0.00 N ATOM 97 CA SER A 7 -5.916 -27.285 3.247 1.00 0.00 C ATOM 98 C SER A 7 -5.681 -26.722 1.848 1.00 0.00 C ATOM 99 O SER A 7 -6.542 -26.848 0.976 1.00 0.00 O ATOM 100 CB SER A 7 -4.615 -27.847 3.824 1.00 0.00 C ATOM 101 OG SER A 7 -4.859 -29.011 4.596 1.00 0.00 O ATOM 0 H SER A 7 -6.590 -29.262 3.390 1.00 0.00 H new ATOM 0 HA SER A 7 -6.260 -26.482 3.899 1.00 0.00 H new ATOM 0 HB2 SER A 7 -3.926 -28.083 3.013 1.00 0.00 H new ATOM 0 HB3 SER A 7 -4.132 -27.091 4.443 1.00 0.00 H new ATOM 0 HG SER A 7 -5.697 -28.904 5.093 1.00 0.00 H new ATOM 107 N LEU A 8 -4.516 -26.112 1.631 1.00 0.00 N ATOM 108 CA LEU A 8 -4.160 -25.545 0.340 1.00 0.00 C ATOM 109 C LEU A 8 -4.768 -24.165 0.148 1.00 0.00 C ATOM 110 O LEU A 8 -4.096 -23.242 -0.312 1.00 0.00 O ATOM 111 CB LEU A 8 -4.592 -26.457 -0.790 1.00 0.00 C ATOM 112 CG LEU A 8 -4.396 -27.956 -0.538 1.00 0.00 C ATOM 113 CD1 LEU A 8 -5.691 -28.717 -0.785 1.00 0.00 C ATOM 114 CD2 LEU A 8 -3.279 -28.503 -1.413 1.00 0.00 C ATOM 0 H LEU A 8 -3.797 -26.000 2.346 1.00 0.00 H new ATOM 0 HA LEU A 8 -3.075 -25.447 0.322 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -5.647 -26.276 -0.997 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -4.039 -26.182 -1.688 1.00 0.00 H new ATOM 0 HG LEU A 8 -4.114 -28.093 0.506 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -5.530 -29.779 -0.600 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -6.465 -28.345 -0.114 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -6.007 -28.572 -1.818 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -3.154 -29.569 -1.220 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -3.531 -28.351 -2.462 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -2.349 -27.982 -1.184 1.00 0.00 H new ATOM 126 N SER A 9 -6.045 -24.020 0.499 1.00 0.00 N ATOM 127 CA SER A 9 -6.723 -22.738 0.356 1.00 0.00 C ATOM 128 C SER A 9 -5.925 -21.651 1.063 1.00 0.00 C ATOM 129 O SER A 9 -5.945 -20.486 0.662 1.00 0.00 O ATOM 130 CB SER A 9 -8.138 -22.813 0.935 1.00 0.00 C ATOM 131 OG SER A 9 -8.639 -24.138 0.886 1.00 0.00 O ATOM 0 H SER A 9 -6.624 -24.768 0.881 1.00 0.00 H new ATOM 0 HA SER A 9 -6.796 -22.496 -0.704 1.00 0.00 H new ATOM 0 HB2 SER A 9 -8.131 -22.461 1.967 1.00 0.00 H new ATOM 0 HB3 SER A 9 -8.799 -22.150 0.376 1.00 0.00 H new ATOM 0 HG SER A 9 -9.543 -24.160 1.263 1.00 0.00 H new ATOM 137 N GLY A 10 -5.199 -22.051 2.101 1.00 0.00 N ATOM 138 CA GLY A 10 -4.376 -21.116 2.835 1.00 0.00 C ATOM 139 C GLY A 10 -3.079 -20.821 2.107 1.00 0.00 C ATOM 140 O GLY A 10 -2.445 -19.794 2.348 1.00 0.00 O ATOM 0 H GLY A 10 -5.168 -23.010 2.446 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -4.927 -20.188 2.988 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -4.155 -21.522 3.822 1.00 0.00 H new ATOM 144 N ILE A 11 -2.685 -21.723 1.204 1.00 0.00 N ATOM 145 CA ILE A 11 -1.460 -21.543 0.438 1.00 0.00 C ATOM 146 C ILE A 11 -1.693 -20.592 -0.731 1.00 0.00 C ATOM 147 O ILE A 11 -1.034 -19.558 -0.846 1.00 0.00 O ATOM 148 CB ILE A 11 -0.929 -22.884 -0.102 1.00 0.00 C ATOM 149 CG1 ILE A 11 -0.881 -23.926 1.015 1.00 0.00 C ATOM 150 CG2 ILE A 11 0.448 -22.698 -0.722 1.00 0.00 C ATOM 151 CD1 ILE A 11 -0.524 -25.315 0.533 1.00 0.00 C ATOM 0 H ILE A 11 -3.197 -22.579 0.990 1.00 0.00 H new ATOM 0 HA ILE A 11 -0.717 -21.119 1.114 1.00 0.00 H new ATOM 0 HB ILE A 11 -1.608 -23.241 -0.876 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -0.153 -23.612 1.763 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -1.851 -23.961 1.510 1.00 0.00 H new ATOM 0 HG21 ILE A 11 0.810 -23.655 -1.099 1.00 0.00 H new ATOM 0 HG22 ILE A 11 0.384 -21.985 -1.544 1.00 0.00 H new ATOM 0 HG23 ILE A 11 1.139 -22.321 0.032 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -0.509 -26.001 1.380 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -1.265 -25.650 -0.192 1.00 0.00 H new ATOM 0 HD13 ILE A 11 0.460 -25.296 0.064 1.00 0.00 H new ATOM 163 N THR A 12 -2.642 -20.947 -1.591 1.00 0.00 N ATOM 164 CA THR A 12 -2.972 -20.124 -2.747 1.00 0.00 C ATOM 165 C THR A 12 -3.516 -18.770 -2.304 1.00 0.00 C ATOM 166 O THR A 12 -3.088 -17.727 -2.799 1.00 0.00 O ATOM 167 CB THR A 12 -3.997 -20.835 -3.631 1.00 0.00 C ATOM 168 OG1 THR A 12 -3.518 -22.107 -4.030 1.00 0.00 O ATOM 169 CG2 THR A 12 -4.346 -20.062 -4.885 1.00 0.00 C ATOM 0 H THR A 12 -3.196 -21.800 -1.508 1.00 0.00 H new ATOM 0 HA THR A 12 -2.061 -19.962 -3.323 1.00 0.00 H new ATOM 0 HB THR A 12 -4.894 -20.925 -3.018 1.00 0.00 H new ATOM 0 HG1 THR A 12 -4.188 -22.547 -4.593 1.00 0.00 H new ATOM 0 HG21 THR A 12 -5.078 -20.623 -5.466 1.00 0.00 H new ATOM 0 HG22 THR A 12 -4.765 -19.094 -4.611 1.00 0.00 H new ATOM 0 HG23 THR A 12 -3.447 -19.912 -5.482 1.00 0.00 H new ATOM 177 N GLU A 13 -4.458 -18.794 -1.366 1.00 0.00 N ATOM 178 CA GLU A 13 -5.054 -17.567 -0.854 1.00 0.00 C ATOM 179 C GLU A 13 -4.067 -16.817 0.033 1.00 0.00 C ATOM 180 O GLU A 13 -4.105 -15.590 0.123 1.00 0.00 O ATOM 181 CB GLU A 13 -6.329 -17.880 -0.068 1.00 0.00 C ATOM 182 CG GLU A 13 -7.250 -16.683 0.098 1.00 0.00 C ATOM 183 CD GLU A 13 -7.137 -16.047 1.470 1.00 0.00 C ATOM 184 OE1 GLU A 13 -6.046 -15.536 1.800 1.00 0.00 O ATOM 185 OE2 GLU A 13 -8.140 -16.061 2.215 1.00 0.00 O ATOM 0 H GLU A 13 -4.824 -19.649 -0.946 1.00 0.00 H new ATOM 0 HA GLU A 13 -5.309 -16.934 -1.704 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -6.872 -18.678 -0.575 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -6.055 -18.257 0.917 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -7.015 -15.940 -0.664 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -8.281 -16.996 -0.070 1.00 0.00 H new ATOM 192 N GLY A 14 -3.180 -17.561 0.685 1.00 0.00 N ATOM 193 CA GLY A 14 -2.192 -16.949 1.554 1.00 0.00 C ATOM 194 C GLY A 14 -1.222 -16.072 0.788 1.00 0.00 C ATOM 195 O GLY A 14 -1.157 -14.863 1.014 1.00 0.00 O ATOM 0 H GLY A 14 -3.128 -18.578 0.627 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -2.698 -16.352 2.313 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -1.639 -17.728 2.078 1.00 0.00 H new ATOM 199 N GLU A 15 -0.473 -16.681 -0.125 1.00 0.00 N ATOM 200 CA GLU A 15 0.491 -15.943 -0.931 1.00 0.00 C ATOM 201 C GLU A 15 -0.224 -14.910 -1.791 1.00 0.00 C ATOM 202 O GLU A 15 0.221 -13.768 -1.911 1.00 0.00 O ATOM 203 CB GLU A 15 1.289 -16.902 -1.818 1.00 0.00 C ATOM 204 CG GLU A 15 1.965 -18.023 -1.047 1.00 0.00 C ATOM 205 CD GLU A 15 2.388 -19.172 -1.941 1.00 0.00 C ATOM 206 OE1 GLU A 15 1.498 -19.842 -2.508 1.00 0.00 O ATOM 207 OE2 GLU A 15 3.608 -19.403 -2.075 1.00 0.00 O ATOM 0 H GLU A 15 -0.515 -17.680 -0.325 1.00 0.00 H new ATOM 0 HA GLU A 15 1.181 -15.429 -0.262 1.00 0.00 H new ATOM 0 HB2 GLU A 15 0.621 -17.336 -2.563 1.00 0.00 H new ATOM 0 HB3 GLU A 15 2.047 -16.337 -2.360 1.00 0.00 H new ATOM 0 HG2 GLU A 15 2.840 -17.628 -0.531 1.00 0.00 H new ATOM 0 HG3 GLU A 15 1.284 -18.395 -0.281 1.00 0.00 H new ATOM 214 N ALA A 16 -1.344 -15.318 -2.378 1.00 0.00 N ATOM 215 CA ALA A 16 -2.136 -14.431 -3.219 1.00 0.00 C ATOM 216 C ALA A 16 -2.603 -13.215 -2.426 1.00 0.00 C ATOM 217 O ALA A 16 -2.588 -12.089 -2.924 1.00 0.00 O ATOM 218 CB ALA A 16 -3.327 -15.180 -3.794 1.00 0.00 C ATOM 0 H ALA A 16 -1.724 -16.260 -2.286 1.00 0.00 H new ATOM 0 HA ALA A 16 -1.511 -14.083 -4.042 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -3.912 -14.507 -4.421 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -2.974 -16.019 -4.393 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -3.950 -15.552 -2.981 1.00 0.00 H new ATOM 224 N LYS A 17 -3.018 -13.456 -1.186 1.00 0.00 N ATOM 225 CA LYS A 17 -3.488 -12.388 -0.314 1.00 0.00 C ATOM 226 C LYS A 17 -2.369 -11.397 -0.019 1.00 0.00 C ATOM 227 O LYS A 17 -2.556 -10.186 -0.127 1.00 0.00 O ATOM 228 CB LYS A 17 -4.029 -12.974 0.994 1.00 0.00 C ATOM 229 CG LYS A 17 -4.502 -11.923 1.985 1.00 0.00 C ATOM 230 CD LYS A 17 -5.324 -12.542 3.102 1.00 0.00 C ATOM 231 CE LYS A 17 -5.172 -11.765 4.401 1.00 0.00 C ATOM 232 NZ LYS A 17 -6.453 -11.692 5.157 1.00 0.00 N ATOM 0 H LYS A 17 -3.038 -14.384 -0.763 1.00 0.00 H new ATOM 0 HA LYS A 17 -4.291 -11.857 -0.826 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -4.858 -13.645 0.766 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -3.250 -13.577 1.461 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -3.640 -11.407 2.409 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -5.099 -11.173 1.465 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -6.374 -12.566 2.812 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -5.012 -13.575 3.256 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -4.411 -12.239 5.021 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -4.822 -10.756 4.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -6.308 -11.155 6.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -7.173 -11.217 4.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -6.775 -12.653 5.389 1.00 0.00 H new ATOM 246 N GLU A 18 -1.204 -11.919 0.354 1.00 0.00 N ATOM 247 CA GLU A 18 -0.054 -11.077 0.664 1.00 0.00 C ATOM 248 C GLU A 18 0.349 -10.240 -0.546 1.00 0.00 C ATOM 249 O GLU A 18 0.649 -9.051 -0.419 1.00 0.00 O ATOM 250 CB GLU A 18 1.126 -11.938 1.119 1.00 0.00 C ATOM 251 CG GLU A 18 2.355 -11.131 1.504 1.00 0.00 C ATOM 252 CD GLU A 18 3.407 -11.114 0.413 1.00 0.00 C ATOM 253 OE1 GLU A 18 3.757 -12.202 -0.092 1.00 0.00 O ATOM 254 OE2 GLU A 18 3.882 -10.013 0.063 1.00 0.00 O ATOM 0 H GLU A 18 -1.032 -12.920 0.449 1.00 0.00 H new ATOM 0 HA GLU A 18 -0.336 -10.402 1.472 1.00 0.00 H new ATOM 0 HB2 GLU A 18 0.817 -12.542 1.972 1.00 0.00 H new ATOM 0 HB3 GLU A 18 1.391 -12.629 0.318 1.00 0.00 H new ATOM 0 HG2 GLU A 18 2.056 -10.108 1.732 1.00 0.00 H new ATOM 0 HG3 GLU A 18 2.788 -11.547 2.414 1.00 0.00 H new ATOM 261 N PHE A 19 0.349 -10.867 -1.718 1.00 0.00 N ATOM 262 CA PHE A 19 0.713 -10.180 -2.951 1.00 0.00 C ATOM 263 C PHE A 19 -0.225 -9.007 -3.209 1.00 0.00 C ATOM 264 O PHE A 19 0.215 -7.863 -3.329 1.00 0.00 O ATOM 265 CB PHE A 19 0.672 -11.150 -4.134 1.00 0.00 C ATOM 266 CG PHE A 19 1.122 -10.537 -5.428 1.00 0.00 C ATOM 267 CD1 PHE A 19 2.464 -10.285 -5.661 1.00 0.00 C ATOM 268 CD2 PHE A 19 0.202 -10.213 -6.413 1.00 0.00 C ATOM 269 CE1 PHE A 19 2.882 -9.722 -6.852 1.00 0.00 C ATOM 270 CE2 PHE A 19 0.613 -9.648 -7.605 1.00 0.00 C ATOM 271 CZ PHE A 19 1.955 -9.402 -7.825 1.00 0.00 C ATOM 0 H PHE A 19 0.101 -11.849 -1.839 1.00 0.00 H new ATOM 0 HA PHE A 19 1.728 -9.798 -2.841 1.00 0.00 H new ATOM 0 HB2 PHE A 19 1.303 -12.010 -3.910 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -0.345 -11.523 -4.252 1.00 0.00 H new ATOM 0 HD1 PHE A 19 3.193 -10.531 -4.903 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -0.848 -10.404 -6.247 1.00 0.00 H new ATOM 0 HE1 PHE A 19 3.932 -9.533 -7.022 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -0.114 -9.399 -8.364 1.00 0.00 H new ATOM 0 HZ PHE A 19 2.278 -8.960 -8.756 1.00 0.00 H new ATOM 281 N HIS A 20 -1.520 -9.295 -3.283 1.00 0.00 N ATOM 282 CA HIS A 20 -2.517 -8.257 -3.516 1.00 0.00 C ATOM 283 C HIS A 20 -2.491 -7.234 -2.386 1.00 0.00 C ATOM 284 O HIS A 20 -2.745 -6.047 -2.599 1.00 0.00 O ATOM 285 CB HIS A 20 -3.912 -8.874 -3.633 1.00 0.00 C ATOM 286 CG HIS A 20 -4.107 -9.679 -4.881 1.00 0.00 C ATOM 287 ND1 HIS A 20 -3.222 -9.655 -5.938 1.00 0.00 N ATOM 288 CD2 HIS A 20 -5.095 -10.533 -5.238 1.00 0.00 C ATOM 289 CE1 HIS A 20 -3.657 -10.461 -6.892 1.00 0.00 C ATOM 290 NE2 HIS A 20 -4.791 -11.006 -6.491 1.00 0.00 N ATOM 0 H HIS A 20 -1.903 -10.235 -3.185 1.00 0.00 H new ATOM 0 HA HIS A 20 -2.277 -7.753 -4.452 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -4.092 -9.511 -2.767 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -4.656 -8.078 -3.604 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -5.961 -10.794 -4.647 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -3.168 -10.643 -7.838 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -5.351 -11.671 -7.025 1.00 0.00 H new ATOM 299 N LYS A 21 -2.175 -7.705 -1.181 1.00 0.00 N ATOM 300 CA LYS A 21 -2.108 -6.838 -0.012 1.00 0.00 C ATOM 301 C LYS A 21 -1.104 -5.712 -0.233 1.00 0.00 C ATOM 302 O LYS A 21 -1.486 -4.557 -0.406 1.00 0.00 O ATOM 303 CB LYS A 21 -1.723 -7.646 1.231 1.00 0.00 C ATOM 304 CG LYS A 21 -2.864 -7.818 2.222 1.00 0.00 C ATOM 305 CD LYS A 21 -4.089 -8.437 1.565 1.00 0.00 C ATOM 306 CE LYS A 21 -5.355 -7.668 1.910 1.00 0.00 C ATOM 307 NZ LYS A 21 -6.522 -8.574 2.093 1.00 0.00 N ATOM 0 H LYS A 21 -1.961 -8.684 -0.991 1.00 0.00 H new ATOM 0 HA LYS A 21 -3.094 -6.400 0.143 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -1.371 -8.630 0.920 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -0.890 -7.153 1.731 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -2.536 -8.448 3.049 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -3.128 -6.849 2.645 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -3.955 -8.452 0.483 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -4.192 -9.473 1.888 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -5.194 -7.094 2.823 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -5.572 -6.952 1.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -7.365 -8.011 2.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -6.692 -9.103 1.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -6.326 -9.241 2.866 1.00 0.00 H new ATOM 321 N ILE A 22 0.180 -6.057 -0.226 1.00 0.00 N ATOM 322 CA ILE A 22 1.234 -5.073 -0.427 1.00 0.00 C ATOM 323 C ILE A 22 1.021 -4.287 -1.720 1.00 0.00 C ATOM 324 O ILE A 22 1.404 -3.121 -1.819 1.00 0.00 O ATOM 325 CB ILE A 22 2.625 -5.740 -0.446 1.00 0.00 C ATOM 326 CG1 ILE A 22 3.697 -4.730 -0.046 1.00 0.00 C ATOM 327 CG2 ILE A 22 2.932 -6.344 -1.812 1.00 0.00 C ATOM 328 CD1 ILE A 22 3.495 -4.173 1.345 1.00 0.00 C ATOM 0 H ILE A 22 0.514 -7.010 -0.083 1.00 0.00 H new ATOM 0 HA ILE A 22 1.189 -4.380 0.413 1.00 0.00 H new ATOM 0 HB ILE A 22 2.623 -6.554 0.279 1.00 0.00 H new ATOM 0 HG12 ILE A 22 4.676 -5.206 -0.102 1.00 0.00 H new ATOM 0 HG13 ILE A 22 3.700 -3.909 -0.763 1.00 0.00 H new ATOM 0 HG21 ILE A 22 3.919 -6.806 -1.792 1.00 0.00 H new ATOM 0 HG22 ILE A 22 2.183 -7.098 -2.053 1.00 0.00 H new ATOM 0 HG23 ILE A 22 2.914 -5.560 -2.569 1.00 0.00 H new ATOM 0 HD11 ILE A 22 4.289 -3.461 1.571 1.00 0.00 H new ATOM 0 HD12 ILE A 22 2.530 -3.669 1.399 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.520 -4.987 2.070 1.00 0.00 H new ATOM 340 N PHE A 23 0.405 -4.933 -2.706 1.00 0.00 N ATOM 341 CA PHE A 23 0.140 -4.291 -3.986 1.00 0.00 C ATOM 342 C PHE A 23 -0.737 -3.061 -3.791 1.00 0.00 C ATOM 343 O PHE A 23 -0.246 -1.933 -3.779 1.00 0.00 O ATOM 344 CB PHE A 23 -0.534 -5.276 -4.947 1.00 0.00 C ATOM 345 CG PHE A 23 0.338 -5.679 -6.101 1.00 0.00 C ATOM 346 CD1 PHE A 23 1.611 -6.182 -5.884 1.00 0.00 C ATOM 347 CD2 PHE A 23 -0.114 -5.554 -7.405 1.00 0.00 C ATOM 348 CE1 PHE A 23 2.416 -6.554 -6.943 1.00 0.00 C ATOM 349 CE2 PHE A 23 0.685 -5.925 -8.470 1.00 0.00 C ATOM 350 CZ PHE A 23 1.952 -6.425 -8.238 1.00 0.00 C ATOM 0 H PHE A 23 0.081 -5.898 -2.642 1.00 0.00 H new ATOM 0 HA PHE A 23 1.090 -3.976 -4.419 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -0.826 -6.169 -4.394 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -1.449 -4.826 -5.333 1.00 0.00 H new ATOM 0 HD1 PHE A 23 1.978 -6.284 -4.874 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -1.103 -5.162 -7.591 1.00 0.00 H new ATOM 0 HE1 PHE A 23 3.406 -6.945 -6.759 1.00 0.00 H new ATOM 0 HE2 PHE A 23 0.320 -5.824 -9.481 1.00 0.00 H new ATOM 0 HZ PHE A 23 2.579 -6.715 -9.068 1.00 0.00 H new ATOM 360 N THR A 24 -2.035 -3.284 -3.626 1.00 0.00 N ATOM 361 CA THR A 24 -2.974 -2.193 -3.419 1.00 0.00 C ATOM 362 C THR A 24 -2.574 -1.362 -2.208 1.00 0.00 C ATOM 363 O THR A 24 -2.819 -0.159 -2.155 1.00 0.00 O ATOM 364 CB THR A 24 -4.382 -2.747 -3.239 1.00 0.00 C ATOM 365 OG1 THR A 24 -4.423 -3.681 -2.175 1.00 0.00 O ATOM 366 CG2 THR A 24 -4.902 -3.434 -4.477 1.00 0.00 C ATOM 0 H THR A 24 -2.460 -4.211 -3.632 1.00 0.00 H new ATOM 0 HA THR A 24 -2.956 -1.547 -4.297 1.00 0.00 H new ATOM 0 HB THR A 24 -5.013 -1.885 -3.024 1.00 0.00 H new ATOM 0 HG1 THR A 24 -3.961 -4.503 -2.443 1.00 0.00 H new ATOM 0 HG21 THR A 24 -5.908 -3.808 -4.290 1.00 0.00 H new ATOM 0 HG22 THR A 24 -4.927 -2.724 -5.304 1.00 0.00 H new ATOM 0 HG23 THR A 24 -4.247 -4.267 -4.733 1.00 0.00 H new ATOM 374 N SER A 25 -1.945 -2.010 -1.237 1.00 0.00 N ATOM 375 CA SER A 25 -1.500 -1.322 -0.034 1.00 0.00 C ATOM 376 C SER A 25 -0.622 -0.131 -0.401 1.00 0.00 C ATOM 377 O SER A 25 -1.075 1.011 -0.386 1.00 0.00 O ATOM 378 CB SER A 25 -0.733 -2.279 0.879 1.00 0.00 C ATOM 379 OG SER A 25 -1.621 -3.099 1.620 1.00 0.00 O ATOM 0 H SER A 25 -1.732 -3.007 -1.259 1.00 0.00 H new ATOM 0 HA SER A 25 -2.378 -0.961 0.501 1.00 0.00 H new ATOM 0 HB2 SER A 25 -0.070 -2.904 0.281 1.00 0.00 H new ATOM 0 HB3 SER A 25 -0.104 -1.709 1.562 1.00 0.00 H new ATOM 0 HG SER A 25 -1.996 -3.788 1.033 1.00 0.00 H new ATOM 385 N SER A 26 0.635 -0.409 -0.732 1.00 0.00 N ATOM 386 CA SER A 26 1.585 0.635 -1.102 1.00 0.00 C ATOM 387 C SER A 26 1.064 1.503 -2.251 1.00 0.00 C ATOM 388 O SER A 26 1.282 2.713 -2.269 1.00 0.00 O ATOM 389 CB SER A 26 2.928 0.006 -1.486 1.00 0.00 C ATOM 390 OG SER A 26 3.544 0.707 -2.554 1.00 0.00 O ATOM 0 H SER A 26 1.021 -1.353 -0.752 1.00 0.00 H new ATOM 0 HA SER A 26 1.718 1.283 -0.236 1.00 0.00 H new ATOM 0 HB2 SER A 26 3.591 0.004 -0.621 1.00 0.00 H new ATOM 0 HB3 SER A 26 2.775 -1.034 -1.773 1.00 0.00 H new ATOM 0 HG SER A 26 4.399 0.282 -2.774 1.00 0.00 H new ATOM 396 N ILE A 27 0.392 0.883 -3.215 1.00 0.00 N ATOM 397 CA ILE A 27 -0.134 1.612 -4.367 1.00 0.00 C ATOM 398 C ILE A 27 -1.216 2.614 -3.961 1.00 0.00 C ATOM 399 O ILE A 27 -1.033 3.827 -4.090 1.00 0.00 O ATOM 400 CB ILE A 27 -0.703 0.645 -5.427 1.00 0.00 C ATOM 401 CG1 ILE A 27 0.407 -0.264 -5.964 1.00 0.00 C ATOM 402 CG2 ILE A 27 -1.362 1.414 -6.567 1.00 0.00 C ATOM 403 CD1 ILE A 27 1.413 0.456 -6.837 1.00 0.00 C ATOM 0 H ILE A 27 0.198 -0.118 -3.223 1.00 0.00 H new ATOM 0 HA ILE A 27 0.703 2.162 -4.796 1.00 0.00 H new ATOM 0 HB ILE A 27 -1.465 0.026 -4.953 1.00 0.00 H new ATOM 0 HG12 ILE A 27 0.929 -0.720 -5.123 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -0.044 -1.074 -6.537 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -1.755 0.711 -7.301 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -2.177 2.021 -6.173 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -0.625 2.061 -7.043 1.00 0.00 H new ATOM 0 HD11 ILE A 27 2.168 -0.251 -7.180 1.00 0.00 H new ATOM 0 HD12 ILE A 27 0.904 0.889 -7.698 1.00 0.00 H new ATOM 0 HD13 ILE A 27 1.892 1.248 -6.262 1.00 0.00 H new ATOM 415 N LEU A 28 -2.347 2.099 -3.495 1.00 0.00 N ATOM 416 CA LEU A 28 -3.470 2.941 -3.097 1.00 0.00 C ATOM 417 C LEU A 28 -3.083 3.938 -2.009 1.00 0.00 C ATOM 418 O LEU A 28 -3.511 5.088 -2.042 1.00 0.00 O ATOM 419 CB LEU A 28 -4.632 2.070 -2.623 1.00 0.00 C ATOM 420 CG LEU A 28 -5.040 0.964 -3.597 1.00 0.00 C ATOM 421 CD1 LEU A 28 -6.268 0.232 -3.087 1.00 0.00 C ATOM 422 CD2 LEU A 28 -5.292 1.543 -4.982 1.00 0.00 C ATOM 0 H LEU A 28 -2.512 1.099 -3.383 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.776 3.516 -3.971 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -4.362 1.615 -1.670 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -5.495 2.709 -2.438 1.00 0.00 H new ATOM 0 HG LEU A 28 -4.223 0.246 -3.670 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -6.544 -0.551 -3.793 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -6.049 -0.214 -2.117 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -7.094 0.935 -2.984 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -5.581 0.743 -5.664 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -6.092 2.281 -4.928 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -4.383 2.020 -5.348 1.00 0.00 H new ATOM 434 N VAL A 29 -2.274 3.505 -1.049 1.00 0.00 N ATOM 435 CA VAL A 29 -1.845 4.382 0.028 1.00 0.00 C ATOM 436 C VAL A 29 -0.918 5.471 -0.504 1.00 0.00 C ATOM 437 O VAL A 29 -0.994 6.624 -0.083 1.00 0.00 O ATOM 438 CB VAL A 29 -1.134 3.603 1.152 1.00 0.00 C ATOM 439 CG1 VAL A 29 -2.013 2.469 1.657 1.00 0.00 C ATOM 440 CG2 VAL A 29 0.218 3.077 0.687 1.00 0.00 C ATOM 0 H VAL A 29 -1.905 2.556 -0.996 1.00 0.00 H new ATOM 0 HA VAL A 29 -2.742 4.840 0.446 1.00 0.00 H new ATOM 0 HB VAL A 29 -0.956 4.291 1.978 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -1.493 1.931 2.450 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -2.946 2.877 2.046 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -2.231 1.785 0.837 1.00 0.00 H new ATOM 0 HG21 VAL A 29 0.696 2.532 1.501 1.00 0.00 H new ATOM 0 HG22 VAL A 29 0.076 2.409 -0.163 1.00 0.00 H new ATOM 0 HG23 VAL A 29 0.851 3.913 0.389 1.00 0.00 H new ATOM 450 N PHE A 30 -0.056 5.097 -1.446 1.00 0.00 N ATOM 451 CA PHE A 30 0.871 6.045 -2.050 1.00 0.00 C ATOM 452 C PHE A 30 0.093 7.158 -2.740 1.00 0.00 C ATOM 453 O PHE A 30 0.041 8.288 -2.255 1.00 0.00 O ATOM 454 CB PHE A 30 1.779 5.332 -3.056 1.00 0.00 C ATOM 455 CG PHE A 30 2.719 6.253 -3.780 1.00 0.00 C ATOM 456 CD1 PHE A 30 2.323 6.896 -4.942 1.00 0.00 C ATOM 457 CD2 PHE A 30 3.998 6.478 -3.297 1.00 0.00 C ATOM 458 CE1 PHE A 30 3.186 7.744 -5.610 1.00 0.00 C ATOM 459 CE2 PHE A 30 4.865 7.326 -3.961 1.00 0.00 C ATOM 460 CZ PHE A 30 4.458 7.959 -5.119 1.00 0.00 C ATOM 0 H PHE A 30 0.019 4.146 -1.806 1.00 0.00 H new ATOM 0 HA PHE A 30 1.494 6.479 -1.268 1.00 0.00 H new ATOM 0 HB2 PHE A 30 2.360 4.572 -2.533 1.00 0.00 H new ATOM 0 HB3 PHE A 30 1.159 4.812 -3.787 1.00 0.00 H new ATOM 0 HD1 PHE A 30 1.328 6.733 -5.330 1.00 0.00 H new ATOM 0 HD2 PHE A 30 4.321 5.986 -2.392 1.00 0.00 H new ATOM 0 HE1 PHE A 30 2.865 8.238 -6.515 1.00 0.00 H new ATOM 0 HE2 PHE A 30 5.860 7.493 -3.574 1.00 0.00 H new ATOM 0 HZ PHE A 30 5.134 8.621 -5.640 1.00 0.00 H new ATOM 470 N PHE A 31 -0.526 6.823 -3.866 1.00 0.00 N ATOM 471 CA PHE A 31 -1.322 7.784 -4.615 1.00 0.00 C ATOM 472 C PHE A 31 -2.484 8.277 -3.761 1.00 0.00 C ATOM 473 O PHE A 31 -2.947 9.406 -3.914 1.00 0.00 O ATOM 474 CB PHE A 31 -1.851 7.147 -5.899 1.00 0.00 C ATOM 475 CG PHE A 31 -1.423 7.866 -7.147 1.00 0.00 C ATOM 476 CD1 PHE A 31 -0.143 7.703 -7.652 1.00 0.00 C ATOM 477 CD2 PHE A 31 -2.301 8.705 -7.814 1.00 0.00 C ATOM 478 CE1 PHE A 31 0.253 8.364 -8.799 1.00 0.00 C ATOM 479 CE2 PHE A 31 -1.910 9.368 -8.962 1.00 0.00 C ATOM 480 CZ PHE A 31 -0.631 9.197 -9.455 1.00 0.00 C ATOM 0 H PHE A 31 -0.491 5.891 -4.280 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.690 8.632 -4.879 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -1.509 6.113 -5.950 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -2.940 7.121 -5.860 1.00 0.00 H new ATOM 0 HD1 PHE A 31 0.553 7.052 -7.144 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -3.302 8.842 -7.433 1.00 0.00 H new ATOM 0 HE1 PHE A 31 1.254 8.229 -9.182 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -2.604 10.019 -9.473 1.00 0.00 H new ATOM 0 HZ PHE A 31 -0.323 9.714 -10.352 1.00 0.00 H new ATOM 490 N GLY A 32 -2.945 7.419 -2.854 1.00 0.00 N ATOM 491 CA GLY A 32 -4.041 7.781 -1.978 1.00 0.00 C ATOM 492 C GLY A 32 -3.718 9.014 -1.161 1.00 0.00 C ATOM 493 O GLY A 32 -4.493 9.977 -1.127 1.00 0.00 O ATOM 0 H GLY A 32 -2.577 6.478 -2.712 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -4.937 7.962 -2.571 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -4.263 6.949 -1.310 1.00 0.00 H new ATOM 497 N VAL A 33 -2.556 8.990 -0.516 1.00 0.00 N ATOM 498 CA VAL A 33 -2.102 10.083 0.285 1.00 0.00 C ATOM 499 C VAL A 33 -1.744 11.258 -0.613 1.00 0.00 C ATOM 500 O VAL A 33 -2.344 12.317 -0.531 1.00 0.00 O ATOM 501 CB VAL A 33 -0.893 9.602 1.110 1.00 0.00 C ATOM 502 CG1 VAL A 33 0.296 10.525 0.985 1.00 0.00 C ATOM 503 CG2 VAL A 33 -1.293 9.410 2.551 1.00 0.00 C ATOM 0 H VAL A 33 -1.911 8.200 -0.545 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.881 10.421 0.968 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.576 8.642 0.703 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.120 10.140 1.586 1.00 0.00 H new ATOM 0 HG12 VAL A 33 0.604 10.582 -0.059 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.023 11.520 1.338 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.431 9.070 3.126 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -1.651 10.356 2.958 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.087 8.665 2.612 1.00 0.00 H new ATOM 513 N ALA A 34 -0.782 11.050 -1.490 1.00 0.00 N ATOM 514 CA ALA A 34 -0.359 12.087 -2.422 1.00 0.00 C ATOM 515 C ALA A 34 -1.572 12.788 -3.033 1.00 0.00 C ATOM 516 O ALA A 34 -1.569 14.002 -3.232 1.00 0.00 O ATOM 517 CB ALA A 34 0.506 11.477 -3.516 1.00 0.00 C ATOM 0 H ALA A 34 -0.274 10.170 -1.580 1.00 0.00 H new ATOM 0 HA ALA A 34 0.226 12.829 -1.879 1.00 0.00 H new ATOM 0 HB1 ALA A 34 0.819 12.257 -4.210 1.00 0.00 H new ATOM 0 HB2 ALA A 34 1.386 11.015 -3.069 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -0.067 10.722 -4.054 1.00 0.00 H new ATOM 523 N ALA A 35 -2.615 12.009 -3.307 1.00 0.00 N ATOM 524 CA ALA A 35 -3.846 12.542 -3.877 1.00 0.00 C ATOM 525 C ALA A 35 -4.549 13.479 -2.897 1.00 0.00 C ATOM 526 O ALA A 35 -4.486 14.700 -3.039 1.00 0.00 O ATOM 527 CB ALA A 35 -4.774 11.407 -4.283 1.00 0.00 C ATOM 0 H ALA A 35 -2.630 11.003 -3.142 1.00 0.00 H new ATOM 0 HA ALA A 35 -3.585 13.119 -4.764 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -5.689 11.820 -4.707 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -4.280 10.781 -5.026 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -5.019 10.806 -3.407 1.00 0.00 H new ATOM 533 N PHE A 36 -5.225 12.899 -1.904 1.00 0.00 N ATOM 534 CA PHE A 36 -5.944 13.690 -0.906 1.00 0.00 C ATOM 535 C PHE A 36 -4.999 14.649 -0.185 1.00 0.00 C ATOM 536 O PHE A 36 -5.290 15.833 -0.034 1.00 0.00 O ATOM 537 CB PHE A 36 -6.627 12.768 0.106 1.00 0.00 C ATOM 538 CG PHE A 36 -8.071 12.497 -0.207 1.00 0.00 C ATOM 539 CD1 PHE A 36 -8.451 12.072 -1.469 1.00 0.00 C ATOM 540 CD2 PHE A 36 -9.047 12.669 0.762 1.00 0.00 C ATOM 541 CE1 PHE A 36 -9.780 11.822 -1.760 1.00 0.00 C ATOM 542 CE2 PHE A 36 -10.377 12.421 0.477 1.00 0.00 C ATOM 543 CZ PHE A 36 -10.743 11.998 -0.786 1.00 0.00 C ATOM 0 H PHE A 36 -5.289 11.890 -1.770 1.00 0.00 H new ATOM 0 HA PHE A 36 -6.703 14.279 -1.421 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -6.088 11.821 0.144 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -6.556 13.215 1.098 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -7.702 11.934 -2.234 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -8.765 13.000 1.751 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -10.064 11.490 -2.748 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -11.128 12.558 1.241 1.00 0.00 H new ATOM 0 HZ PHE A 36 -11.781 11.805 -1.012 1.00 0.00 H new ATOM 553 N ALA A 37 -3.870 14.115 0.256 1.00 0.00 N ATOM 554 CA ALA A 37 -2.856 14.890 0.969 1.00 0.00 C ATOM 555 C ALA A 37 -2.498 16.178 0.227 1.00 0.00 C ATOM 556 O ALA A 37 -2.474 17.257 0.821 1.00 0.00 O ATOM 557 CB ALA A 37 -1.607 14.042 1.174 1.00 0.00 C ATOM 0 H ALA A 37 -3.627 13.132 0.131 1.00 0.00 H new ATOM 0 HA ALA A 37 -3.272 15.172 1.936 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -0.855 14.625 1.706 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -1.860 13.157 1.758 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -1.211 13.737 0.205 1.00 0.00 H new ATOM 563 N HIS A 38 -2.216 16.064 -1.068 1.00 0.00 N ATOM 564 CA HIS A 38 -1.855 17.233 -1.864 1.00 0.00 C ATOM 565 C HIS A 38 -3.046 18.174 -2.008 1.00 0.00 C ATOM 566 O HIS A 38 -2.929 19.378 -1.782 1.00 0.00 O ATOM 567 CB HIS A 38 -1.358 16.810 -3.248 1.00 0.00 C ATOM 568 CG HIS A 38 0.007 16.194 -3.230 1.00 0.00 C ATOM 569 ND1 HIS A 38 0.553 15.544 -4.317 1.00 0.00 N ATOM 570 CD2 HIS A 38 0.938 16.130 -2.249 1.00 0.00 C ATOM 571 CE1 HIS A 38 1.761 15.106 -4.005 1.00 0.00 C ATOM 572 NE2 HIS A 38 2.017 15.449 -2.757 1.00 0.00 N ATOM 0 H HIS A 38 -2.230 15.184 -1.584 1.00 0.00 H new ATOM 0 HA HIS A 38 -1.052 17.758 -1.346 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -2.063 16.098 -3.677 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -1.346 17.681 -3.903 1.00 0.00 H new ATOM 0 HD2 HIS A 38 0.849 16.538 -1.253 1.00 0.00 H new ATOM 0 HE1 HIS A 38 2.425 14.561 -4.660 1.00 0.00 H new ATOM 0 HE2 HIS A 38 2.878 15.242 -2.251 1.00 0.00 H new ATOM 581 N LEU A 39 -4.193 17.618 -2.379 1.00 0.00 N ATOM 582 CA LEU A 39 -5.407 18.408 -2.544 1.00 0.00 C ATOM 583 C LEU A 39 -5.941 18.894 -1.195 1.00 0.00 C ATOM 584 O LEU A 39 -6.830 19.743 -1.141 1.00 0.00 O ATOM 585 CB LEU A 39 -6.479 17.587 -3.266 1.00 0.00 C ATOM 586 CG LEU A 39 -7.258 18.344 -4.341 1.00 0.00 C ATOM 587 CD1 LEU A 39 -6.365 18.649 -5.533 1.00 0.00 C ATOM 588 CD2 LEU A 39 -8.477 17.545 -4.775 1.00 0.00 C ATOM 0 H LEU A 39 -4.308 16.623 -2.571 1.00 0.00 H new ATOM 0 HA LEU A 39 -5.158 19.282 -3.146 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -6.003 16.721 -3.726 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -7.184 17.208 -2.526 1.00 0.00 H new ATOM 0 HG LEU A 39 -7.599 19.289 -3.919 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -6.937 19.188 -6.288 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -5.523 19.261 -5.210 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -5.993 17.716 -5.957 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -9.021 18.098 -5.541 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -8.157 16.584 -5.179 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -9.128 17.379 -3.916 1.00 0.00 H new ATOM 600 N LEU A 40 -5.402 18.343 -0.109 1.00 0.00 N ATOM 601 CA LEU A 40 -5.833 18.715 1.234 1.00 0.00 C ATOM 602 C LEU A 40 -4.955 19.818 1.818 1.00 0.00 C ATOM 603 O LEU A 40 -5.369 20.533 2.730 1.00 0.00 O ATOM 604 CB LEU A 40 -5.807 17.493 2.155 1.00 0.00 C ATOM 605 CG LEU A 40 -6.997 16.545 2.007 1.00 0.00 C ATOM 606 CD1 LEU A 40 -6.670 15.184 2.600 1.00 0.00 C ATOM 607 CD2 LEU A 40 -8.232 17.136 2.670 1.00 0.00 C ATOM 0 H LEU A 40 -4.666 17.637 -0.135 1.00 0.00 H new ATOM 0 HA LEU A 40 -6.852 19.095 1.161 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.891 16.934 1.965 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -5.762 17.837 3.188 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.206 16.415 0.945 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.528 14.522 2.486 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -5.811 14.758 2.081 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -6.436 15.295 3.659 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -9.070 16.449 2.556 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.035 17.295 3.730 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -8.477 18.088 2.200 1.00 0.00 H new ATOM 619 N VAL A 41 -3.740 19.954 1.293 1.00 0.00 N ATOM 620 CA VAL A 41 -2.817 20.972 1.778 1.00 0.00 C ATOM 621 C VAL A 41 -3.339 22.378 1.478 1.00 0.00 C ATOM 622 O VAL A 41 -3.017 23.334 2.183 1.00 0.00 O ATOM 623 CB VAL A 41 -1.413 20.797 1.162 1.00 0.00 C ATOM 624 CG1 VAL A 41 -1.423 21.121 -0.327 1.00 0.00 C ATOM 625 CG2 VAL A 41 -0.397 21.655 1.900 1.00 0.00 C ATOM 0 H VAL A 41 -3.375 19.375 0.537 1.00 0.00 H new ATOM 0 HA VAL A 41 -2.742 20.847 2.858 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.122 19.752 1.271 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -0.421 20.989 -0.735 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -2.114 20.453 -0.840 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -1.741 22.153 -0.473 1.00 0.00 H new ATOM 0 HG21 VAL A 41 0.588 21.519 1.452 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -0.686 22.704 1.829 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -0.363 21.358 2.948 1.00 0.00 H new ATOM 635 N TRP A 42 -4.161 22.492 0.437 1.00 0.00 N ATOM 636 CA TRP A 42 -4.745 23.773 0.052 1.00 0.00 C ATOM 637 C TRP A 42 -3.672 24.797 -0.318 1.00 0.00 C ATOM 638 O TRP A 42 -3.915 26.003 -0.265 1.00 0.00 O ATOM 639 CB TRP A 42 -5.615 24.317 1.188 1.00 0.00 C ATOM 640 CG TRP A 42 -6.984 24.728 0.742 1.00 0.00 C ATOM 641 CD1 TRP A 42 -7.470 26.000 0.654 1.00 0.00 C ATOM 642 CD2 TRP A 42 -8.047 23.862 0.325 1.00 0.00 C ATOM 643 NE1 TRP A 42 -8.769 25.980 0.208 1.00 0.00 N ATOM 644 CE2 TRP A 42 -9.146 24.679 -0.002 1.00 0.00 C ATOM 645 CE3 TRP A 42 -8.175 22.476 0.195 1.00 0.00 C ATOM 646 CZ2 TRP A 42 -10.356 24.154 -0.451 1.00 0.00 C ATOM 647 CZ3 TRP A 42 -9.376 21.958 -0.250 1.00 0.00 C ATOM 648 CH2 TRP A 42 -10.453 22.795 -0.569 1.00 0.00 C ATOM 0 H TRP A 42 -4.438 21.710 -0.156 1.00 0.00 H new ATOM 0 HA TRP A 42 -5.362 23.603 -0.830 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -5.706 23.556 1.963 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -5.116 25.174 1.640 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -6.914 26.893 0.899 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -9.357 26.800 0.058 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -7.350 21.822 0.438 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -11.188 24.797 -0.697 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -9.486 20.889 -0.354 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -11.378 22.358 -0.915 1.00 0.00 H new ATOM 659 N ILE A 43 -2.494 24.317 -0.696 1.00 0.00 N ATOM 660 CA ILE A 43 -1.399 25.204 -1.076 1.00 0.00 C ATOM 661 C ILE A 43 -0.396 24.506 -1.991 1.00 0.00 C ATOM 662 O ILE A 43 0.737 24.965 -2.141 1.00 0.00 O ATOM 663 CB ILE A 43 -0.656 25.744 0.161 1.00 0.00 C ATOM 664 CG1 ILE A 43 -0.185 24.588 1.045 1.00 0.00 C ATOM 665 CG2 ILE A 43 -1.551 26.690 0.946 1.00 0.00 C ATOM 666 CD1 ILE A 43 1.203 24.787 1.611 1.00 0.00 C ATOM 0 H ILE A 43 -2.272 23.323 -0.748 1.00 0.00 H new ATOM 0 HA ILE A 43 -1.852 26.036 -1.616 1.00 0.00 H new ATOM 0 HB ILE A 43 0.220 26.300 -0.173 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -0.889 24.460 1.867 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -0.203 23.666 0.464 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -1.011 27.063 1.817 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.840 27.528 0.312 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -2.444 26.158 1.273 1.00 0.00 H new ATOM 0 HD11 ILE A 43 1.471 23.929 2.227 1.00 0.00 H new ATOM 0 HD12 ILE A 43 1.918 24.885 0.794 1.00 0.00 H new ATOM 0 HD13 ILE A 43 1.222 25.691 2.220 1.00 0.00 H new ATOM 678 N TRP A 44 -0.823 23.399 -2.607 1.00 0.00 N ATOM 679 CA TRP A 44 0.026 22.627 -3.519 1.00 0.00 C ATOM 680 C TRP A 44 1.502 22.678 -3.119 1.00 0.00 C ATOM 681 O TRP A 44 2.382 22.757 -3.976 1.00 0.00 O ATOM 682 CB TRP A 44 -0.139 23.141 -4.950 1.00 0.00 C ATOM 683 CG TRP A 44 -1.342 22.583 -5.647 1.00 0.00 C ATOM 684 CD1 TRP A 44 -1.540 21.287 -6.031 1.00 0.00 C ATOM 685 CD2 TRP A 44 -2.516 23.302 -6.042 1.00 0.00 C ATOM 686 NE1 TRP A 44 -2.764 21.157 -6.641 1.00 0.00 N ATOM 687 CE2 TRP A 44 -3.382 22.380 -6.660 1.00 0.00 C ATOM 688 CE3 TRP A 44 -2.919 24.636 -5.933 1.00 0.00 C ATOM 689 CZ2 TRP A 44 -4.626 22.750 -7.166 1.00 0.00 C ATOM 690 CZ3 TRP A 44 -4.153 25.002 -6.437 1.00 0.00 C ATOM 691 CH2 TRP A 44 -4.993 24.063 -7.046 1.00 0.00 C ATOM 0 H TRP A 44 -1.761 23.015 -2.489 1.00 0.00 H new ATOM 0 HA TRP A 44 -0.296 21.587 -3.459 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -0.211 24.228 -4.932 1.00 0.00 H new ATOM 0 HB3 TRP A 44 0.753 22.890 -5.524 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -0.837 20.482 -5.877 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -3.150 20.291 -7.018 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -2.278 25.367 -5.464 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -5.277 22.027 -7.636 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -4.474 26.030 -6.359 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -5.951 24.381 -7.429 1.00 0.00 H new ATOM 702 N ARG A 45 1.767 22.629 -1.817 1.00 0.00 N ATOM 703 CA ARG A 45 3.138 22.668 -1.320 1.00 0.00 C ATOM 704 C ARG A 45 3.271 21.962 0.031 1.00 0.00 C ATOM 705 O ARG A 45 3.874 22.500 0.960 1.00 0.00 O ATOM 706 CB ARG A 45 3.612 24.118 -1.200 1.00 0.00 C ATOM 707 CG ARG A 45 3.762 24.824 -2.536 1.00 0.00 C ATOM 708 CD ARG A 45 4.241 26.256 -2.360 1.00 0.00 C ATOM 709 NE ARG A 45 3.760 27.129 -3.427 1.00 0.00 N ATOM 710 CZ ARG A 45 4.214 28.364 -3.637 1.00 0.00 C ATOM 711 NH1 ARG A 45 5.160 28.872 -2.856 1.00 0.00 N ATOM 712 NH2 ARG A 45 3.721 29.091 -4.630 1.00 0.00 N ATOM 0 H ARG A 45 1.054 22.563 -1.090 1.00 0.00 H new ATOM 0 HA ARG A 45 3.765 22.138 -2.037 1.00 0.00 H new ATOM 0 HB2 ARG A 45 2.904 24.672 -0.584 1.00 0.00 H new ATOM 0 HB3 ARG A 45 4.570 24.136 -0.680 1.00 0.00 H new ATOM 0 HG2 ARG A 45 4.469 24.277 -3.160 1.00 0.00 H new ATOM 0 HG3 ARG A 45 2.806 24.821 -3.059 1.00 0.00 H new ATOM 0 HD2 ARG A 45 3.899 26.637 -1.398 1.00 0.00 H new ATOM 0 HD3 ARG A 45 5.331 26.274 -2.340 1.00 0.00 H new ATOM 0 HE ARG A 45 3.034 26.772 -4.048 1.00 0.00 H new ATOM 0 HH11 ARG A 45 5.543 28.316 -2.091 1.00 0.00 H new ATOM 0 HH12 ARG A 45 5.504 29.818 -3.021 1.00 0.00 H new ATOM 0 HH21 ARG A 45 2.994 28.705 -5.233 1.00 0.00 H new ATOM 0 HH22 ARG A 45 4.068 30.036 -4.791 1.00 0.00 H new ATOM 726 N PRO A 46 2.716 20.742 0.163 1.00 0.00 N ATOM 727 CA PRO A 46 2.790 19.977 1.406 1.00 0.00 C ATOM 728 C PRO A 46 4.107 19.221 1.544 1.00 0.00 C ATOM 729 O PRO A 46 4.714 19.197 2.614 1.00 0.00 O ATOM 730 CB PRO A 46 1.631 18.998 1.269 1.00 0.00 C ATOM 731 CG PRO A 46 1.532 18.740 -0.196 1.00 0.00 C ATOM 732 CD PRO A 46 1.978 20.008 -0.885 1.00 0.00 C ATOM 0 HA PRO A 46 2.736 20.615 2.288 1.00 0.00 H new ATOM 0 HB2 PRO A 46 1.821 18.078 1.822 1.00 0.00 H new ATOM 0 HB3 PRO A 46 0.706 19.421 1.661 1.00 0.00 H new ATOM 0 HG2 PRO A 46 2.162 17.899 -0.485 1.00 0.00 H new ATOM 0 HG3 PRO A 46 0.510 18.484 -0.477 1.00 0.00 H new ATOM 0 HD2 PRO A 46 2.613 19.793 -1.745 1.00 0.00 H new ATOM 0 HD3 PRO A 46 1.128 20.583 -1.252 1.00 0.00 H new ATOM 740 N TRP A 47 4.540 18.601 0.450 1.00 0.00 N ATOM 741 CA TRP A 47 5.781 17.839 0.444 1.00 0.00 C ATOM 742 C TRP A 47 6.539 18.022 -0.871 1.00 0.00 C ATOM 743 O TRP A 47 7.491 18.798 -0.942 1.00 0.00 O ATOM 744 CB TRP A 47 5.491 16.354 0.681 1.00 0.00 C ATOM 745 CG TRP A 47 5.885 15.883 2.048 1.00 0.00 C ATOM 746 CD1 TRP A 47 7.069 15.304 2.406 1.00 0.00 C ATOM 747 CD2 TRP A 47 5.093 15.951 3.240 1.00 0.00 C ATOM 748 NE1 TRP A 47 7.061 15.007 3.748 1.00 0.00 N ATOM 749 CE2 TRP A 47 5.860 15.394 4.281 1.00 0.00 C ATOM 750 CE3 TRP A 47 3.811 16.427 3.527 1.00 0.00 C ATOM 751 CZ2 TRP A 47 5.387 15.302 5.587 1.00 0.00 C ATOM 752 CZ3 TRP A 47 3.342 16.335 4.824 1.00 0.00 C ATOM 753 CH2 TRP A 47 4.128 15.777 5.840 1.00 0.00 C ATOM 0 H TRP A 47 4.048 18.612 -0.444 1.00 0.00 H new ATOM 0 HA TRP A 47 6.409 18.215 1.251 1.00 0.00 H new ATOM 0 HB2 TRP A 47 4.427 16.171 0.534 1.00 0.00 H new ATOM 0 HB3 TRP A 47 6.022 15.764 -0.066 1.00 0.00 H new ATOM 0 HD1 TRP A 47 7.891 15.108 1.733 1.00 0.00 H new ATOM 0 HE1 TRP A 47 7.825 14.570 4.263 1.00 0.00 H new ATOM 0 HE3 TRP A 47 3.198 16.859 2.750 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 5.991 14.872 6.372 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 2.353 16.700 5.058 1.00 0.00 H new ATOM 0 HH2 TRP A 47 3.733 15.720 6.844 1.00 0.00 H new ATOM 764 N VAL A 48 6.123 17.293 -1.906 1.00 0.00 N ATOM 765 CA VAL A 48 6.784 17.374 -3.207 1.00 0.00 C ATOM 766 C VAL A 48 6.117 18.376 -4.162 1.00 0.00 C ATOM 767 O VAL A 48 6.802 18.990 -4.978 1.00 0.00 O ATOM 768 CB VAL A 48 6.876 15.992 -3.891 1.00 0.00 C ATOM 769 CG1 VAL A 48 5.506 15.489 -4.317 1.00 0.00 C ATOM 770 CG2 VAL A 48 7.819 16.053 -5.083 1.00 0.00 C ATOM 0 H VAL A 48 5.337 16.644 -1.869 1.00 0.00 H new ATOM 0 HA VAL A 48 7.790 17.736 -2.995 1.00 0.00 H new ATOM 0 HB VAL A 48 7.275 15.285 -3.164 1.00 0.00 H new ATOM 0 HG11 VAL A 48 5.608 14.515 -4.795 1.00 0.00 H new ATOM 0 HG12 VAL A 48 4.863 15.398 -3.441 1.00 0.00 H new ATOM 0 HG13 VAL A 48 5.063 16.193 -5.021 1.00 0.00 H new ATOM 0 HG21 VAL A 48 7.873 15.072 -5.554 1.00 0.00 H new ATOM 0 HG22 VAL A 48 7.448 16.782 -5.804 1.00 0.00 H new ATOM 0 HG23 VAL A 48 8.812 16.349 -4.746 1.00 0.00 H new ATOM 780 N PRO A 49 4.781 18.569 -4.091 1.00 0.00 N ATOM 781 CA PRO A 49 4.087 19.513 -4.976 1.00 0.00 C ATOM 782 C PRO A 49 4.736 20.894 -4.973 1.00 0.00 C ATOM 783 O PRO A 49 4.734 21.588 -3.957 1.00 0.00 O ATOM 784 CB PRO A 49 2.677 19.583 -4.391 1.00 0.00 C ATOM 785 CG PRO A 49 2.493 18.280 -3.698 1.00 0.00 C ATOM 786 CD PRO A 49 3.846 17.905 -3.162 1.00 0.00 C ATOM 0 HA PRO A 49 4.113 19.189 -6.016 1.00 0.00 H new ATOM 0 HB2 PRO A 49 2.576 20.418 -3.698 1.00 0.00 H new ATOM 0 HB3 PRO A 49 1.930 19.725 -5.172 1.00 0.00 H new ATOM 0 HG2 PRO A 49 1.764 18.365 -2.893 1.00 0.00 H new ATOM 0 HG3 PRO A 49 2.121 17.521 -4.386 1.00 0.00 H new ATOM 0 HD2 PRO A 49 3.983 18.253 -2.138 1.00 0.00 H new ATOM 0 HD3 PRO A 49 3.989 16.824 -3.153 1.00 0.00 H new ATOM 794 N GLY A 50 5.289 21.286 -6.116 1.00 0.00 N ATOM 795 CA GLY A 50 5.932 22.581 -6.221 1.00 0.00 C ATOM 796 C GLY A 50 6.154 23.004 -7.662 1.00 0.00 C ATOM 797 O GLY A 50 6.313 22.157 -8.540 1.00 0.00 O ATOM 0 H GLY A 50 5.303 20.730 -6.971 1.00 0.00 H new ATOM 0 HA2 GLY A 50 5.320 23.329 -5.716 1.00 0.00 H new ATOM 0 HA3 GLY A 50 6.890 22.550 -5.703 1.00 0.00 H new ATOM 801 N PRO A 51 6.172 24.320 -7.936 1.00 0.00 N ATOM 802 CA PRO A 51 6.379 24.841 -9.291 1.00 0.00 C ATOM 803 C PRO A 51 7.806 24.624 -9.783 1.00 0.00 C ATOM 804 O PRO A 51 8.029 24.319 -10.954 1.00 0.00 O ATOM 805 CB PRO A 51 6.085 26.336 -9.146 1.00 0.00 C ATOM 806 CG PRO A 51 6.364 26.639 -7.715 1.00 0.00 C ATOM 807 CD PRO A 51 5.991 25.401 -6.949 1.00 0.00 C ATOM 0 HA PRO A 51 5.746 24.338 -10.022 1.00 0.00 H new ATOM 0 HB2 PRO A 51 6.717 26.930 -9.807 1.00 0.00 H new ATOM 0 HB3 PRO A 51 5.051 26.563 -9.405 1.00 0.00 H new ATOM 0 HG2 PRO A 51 7.415 26.888 -7.567 1.00 0.00 H new ATOM 0 HG3 PRO A 51 5.782 27.497 -7.377 1.00 0.00 H new ATOM 0 HD2 PRO A 51 6.630 25.260 -6.077 1.00 0.00 H new ATOM 0 HD3 PRO A 51 4.964 25.447 -6.587 1.00 0.00 H new ATOM 815 N ASN A 52 8.768 24.782 -8.880 1.00 0.00 N ATOM 816 CA ASN A 52 10.175 24.604 -9.222 1.00 0.00 C ATOM 817 C ASN A 52 10.473 23.144 -9.553 1.00 0.00 C ATOM 818 O ASN A 52 11.043 22.417 -8.740 1.00 0.00 O ATOM 819 CB ASN A 52 11.065 25.070 -8.070 1.00 0.00 C ATOM 820 CG ASN A 52 12.417 25.565 -8.547 1.00 0.00 C ATOM 821 OD1 ASN A 52 12.681 26.767 -8.562 1.00 0.00 O ATOM 822 ND2 ASN A 52 13.281 24.637 -8.941 1.00 0.00 N ATOM 0 H ASN A 52 8.599 25.033 -7.906 1.00 0.00 H new ATOM 0 HA ASN A 52 10.389 25.209 -10.103 1.00 0.00 H new ATOM 0 HB2 ASN A 52 10.561 25.868 -7.525 1.00 0.00 H new ATOM 0 HB3 ASN A 52 11.209 24.247 -7.370 1.00 0.00 H new ATOM 0 HD21 ASN A 52 14.206 24.910 -9.273 1.00 0.00 H new ATOM 0 HD22 ASN A 52 13.020 23.651 -8.912 1.00 0.00 H new ATOM 829 N GLY A 53 10.081 22.722 -10.750 1.00 0.00 N ATOM 830 CA GLY A 53 10.315 21.352 -11.167 1.00 0.00 C ATOM 831 C GLY A 53 11.447 21.236 -12.167 1.00 0.00 C ATOM 832 O GLY A 53 12.524 20.738 -11.839 1.00 0.00 O ATOM 0 H GLY A 53 9.605 23.304 -11.439 1.00 0.00 H new ATOM 0 HA2 GLY A 53 10.543 20.743 -10.292 1.00 0.00 H new ATOM 0 HA3 GLY A 53 9.403 20.949 -11.607 1.00 0.00 H new ATOM 836 N TYR A 54 11.203 21.696 -13.390 1.00 0.00 N ATOM 837 CA TYR A 54 12.208 21.644 -14.448 1.00 0.00 C ATOM 838 C TYR A 54 12.579 20.201 -14.779 1.00 0.00 C ATOM 839 O TYR A 54 12.098 19.639 -15.763 1.00 0.00 O ATOM 840 CB TYR A 54 13.457 22.427 -14.035 1.00 0.00 C ATOM 841 CG TYR A 54 13.349 23.915 -14.282 1.00 0.00 C ATOM 842 CD1 TYR A 54 12.526 24.710 -13.496 1.00 0.00 C ATOM 843 CD2 TYR A 54 14.072 24.524 -15.300 1.00 0.00 C ATOM 844 CE1 TYR A 54 12.424 26.070 -13.717 1.00 0.00 C ATOM 845 CE2 TYR A 54 13.976 25.884 -15.528 1.00 0.00 C ATOM 846 CZ TYR A 54 13.151 26.651 -14.734 1.00 0.00 C ATOM 847 OH TYR A 54 13.052 28.006 -14.959 1.00 0.00 O ATOM 0 H TYR A 54 10.315 22.110 -13.674 1.00 0.00 H new ATOM 0 HA TYR A 54 11.782 22.102 -15.341 1.00 0.00 H new ATOM 0 HB2 TYR A 54 13.649 22.256 -12.976 1.00 0.00 H new ATOM 0 HB3 TYR A 54 14.316 22.038 -14.581 1.00 0.00 H new ATOM 0 HD1 TYR A 54 11.956 24.258 -12.698 1.00 0.00 H new ATOM 0 HD2 TYR A 54 14.720 23.925 -15.923 1.00 0.00 H new ATOM 0 HE1 TYR A 54 11.779 26.674 -13.097 1.00 0.00 H new ATOM 0 HE2 TYR A 54 14.544 26.343 -16.324 1.00 0.00 H new ATOM 0 HH TYR A 54 13.629 28.256 -15.711 1.00 0.00 H new ATOM 857 N SER A 55 13.435 19.607 -13.955 1.00 0.00 N ATOM 858 CA SER A 55 13.868 18.230 -14.164 1.00 0.00 C ATOM 859 C SER A 55 12.911 17.251 -13.489 1.00 0.00 C ATOM 860 O SER A 55 13.247 16.050 -13.422 1.00 0.00 O ATOM 861 CB SER A 55 15.285 18.031 -13.622 1.00 0.00 C ATOM 862 OG SER A 55 16.236 18.711 -14.422 1.00 0.00 O ATOM 863 OXT SER A 55 11.837 17.695 -13.033 1.00 0.00 O ATOM 0 H SER A 55 13.843 20.057 -13.136 1.00 0.00 H new ATOM 0 HA SER A 55 13.865 18.033 -15.236 1.00 0.00 H new ATOM 0 HB2 SER A 55 15.340 18.396 -12.596 1.00 0.00 H new ATOM 0 HB3 SER A 55 15.522 16.967 -13.595 1.00 0.00 H new ATOM 0 HG SER A 55 17.133 18.570 -14.054 1.00 0.00 H new TER 869 SER A 55