USER MOD reduce.3.24.130724 H: found=0, std=0, add=436, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 434 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 4 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0777) USER MOD Single : A 7 LYS NZ :NH3+ -157:sc= -0.0609 (180deg=-0.369) USER MOD Single : A 8 THR OG1 : rot 120:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= -1.56! USER MOD Single : A 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN :FLIP amide:sc= -2.5 F(o=-3.5,f=-2.5) USER MOD Single : A 22 ASN : amide:sc= -0.0982 X(o=-0.098,f=-0.0035) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot -160:sc= -0.642 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -138:sc= 0.378 (180deg=9.06e-06) USER MOD Single : A 44 ASN : amide:sc=-0.00101 X(o=-0.001,f=0) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0.0807 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.461 2.804 -2.672 1.00 11.14 N ATOM 2 CA GLY A 1 4.004 2.634 -4.006 1.00 44.14 C ATOM 3 C GLY A 1 3.825 3.869 -4.867 1.00 3.11 C ATOM 4 O GLY A 1 4.071 4.988 -4.416 1.00 73.54 O ATOM 0 H1 GLY A 1 3.608 1.933 -2.124 1.00 11.14 H new ATOM 0 H2 GLY A 1 3.942 3.596 -2.200 1.00 11.14 H new ATOM 0 H3 GLY A 1 2.443 3.005 -2.735 1.00 11.14 H new ATOM 0 HA2 GLY A 1 5.065 2.395 -3.935 1.00 44.14 H new ATOM 0 HA3 GLY A 1 3.518 1.786 -4.487 1.00 44.14 H new ATOM 8 N GLU A 2 3.398 3.666 -6.109 1.00 52.02 N ATOM 9 CA GLU A 2 3.189 4.773 -7.035 1.00 41.10 C ATOM 10 C GLU A 2 1.838 4.650 -7.734 1.00 1.40 C ATOM 11 O GLU A 2 1.768 4.549 -8.959 1.00 44.52 O ATOM 12 CB GLU A 2 4.311 4.816 -8.074 1.00 42.53 C ATOM 13 CG GLU A 2 4.576 6.207 -8.626 1.00 41.13 C ATOM 14 CD GLU A 2 5.583 6.981 -7.798 1.00 43.34 C ATOM 15 OE1 GLU A 2 6.761 6.567 -7.758 1.00 32.11 O ATOM 16 OE2 GLU A 2 5.194 8.001 -7.191 1.00 65.30 O ATOM 0 H GLU A 2 3.190 2.746 -6.497 1.00 52.02 H new ATOM 0 HA GLU A 2 3.199 5.700 -6.461 1.00 41.10 H new ATOM 0 HB2 GLU A 2 5.227 4.432 -7.624 1.00 42.53 H new ATOM 0 HB3 GLU A 2 4.057 4.149 -8.898 1.00 42.53 H new ATOM 0 HG2 GLU A 2 4.940 6.124 -9.650 1.00 41.13 H new ATOM 0 HG3 GLU A 2 3.639 6.763 -8.665 1.00 41.13 H new ATOM 23 N ILE A 3 0.768 4.659 -6.946 1.00 41.42 N ATOM 24 CA ILE A 3 -0.580 4.550 -7.489 1.00 33.33 C ATOM 25 C ILE A 3 -0.874 5.684 -8.465 1.00 62.42 C ATOM 26 O ILE A 3 -1.713 5.550 -9.356 1.00 35.43 O ATOM 27 CB ILE A 3 -1.640 4.563 -6.371 1.00 24.21 C ATOM 28 CG1 ILE A 3 -1.582 5.883 -5.599 1.00 71.32 C ATOM 29 CG2 ILE A 3 -1.433 3.384 -5.431 1.00 41.25 C ATOM 30 CD1 ILE A 3 -2.517 6.941 -6.142 1.00 3.23 C ATOM 0 H ILE A 3 0.809 4.741 -5.930 1.00 41.42 H new ATOM 0 HA ILE A 3 -0.631 3.598 -8.017 1.00 33.33 H new ATOM 0 HB ILE A 3 -2.627 4.472 -6.825 1.00 24.21 H new ATOM 0 HG12 ILE A 3 -1.827 5.695 -4.554 1.00 71.32 H new ATOM 0 HG13 ILE A 3 -0.561 6.264 -5.623 1.00 71.32 H new ATOM 0 HG21 ILE A 3 -2.189 3.407 -4.647 1.00 41.25 H new ATOM 0 HG22 ILE A 3 -1.519 2.453 -5.991 1.00 41.25 H new ATOM 0 HG23 ILE A 3 -0.442 3.447 -4.981 1.00 41.25 H new ATOM 0 HD11 ILE A 3 -2.423 7.849 -5.547 1.00 3.23 H new ATOM 0 HD12 ILE A 3 -2.258 7.158 -7.178 1.00 3.23 H new ATOM 0 HD13 ILE A 3 -3.544 6.579 -6.092 1.00 3.23 H new ATOM 42 N LYS A 4 -0.175 6.801 -8.293 1.00 71.45 N ATOM 43 CA LYS A 4 -0.357 7.959 -9.161 1.00 31.52 C ATOM 44 C LYS A 4 0.323 7.741 -10.509 1.00 33.22 C ATOM 45 O LYS A 4 1.354 7.075 -10.595 1.00 11.54 O ATOM 46 CB LYS A 4 0.204 9.216 -8.492 1.00 34.40 C ATOM 47 CG LYS A 4 -0.475 10.498 -8.942 1.00 21.02 C ATOM 48 CD LYS A 4 0.388 11.715 -8.656 1.00 44.42 C ATOM 49 CE LYS A 4 -0.335 13.006 -9.007 1.00 51.42 C ATOM 50 NZ LYS A 4 -0.628 13.100 -10.464 1.00 65.24 N ATOM 0 H LYS A 4 0.523 6.929 -7.560 1.00 71.45 H new ATOM 0 HA LYS A 4 -1.426 8.091 -9.330 1.00 31.52 H new ATOM 0 HB2 LYS A 4 0.100 9.120 -7.411 1.00 34.40 H new ATOM 0 HB3 LYS A 4 1.271 9.286 -8.705 1.00 34.40 H new ATOM 0 HG2 LYS A 4 -0.686 10.443 -10.010 1.00 21.02 H new ATOM 0 HG3 LYS A 4 -1.433 10.602 -8.432 1.00 21.02 H new ATOM 0 HD2 LYS A 4 0.664 11.727 -7.602 1.00 44.42 H new ATOM 0 HD3 LYS A 4 1.314 11.648 -9.227 1.00 44.42 H new ATOM 0 HE2 LYS A 4 -1.267 13.065 -8.445 1.00 51.42 H new ATOM 0 HE3 LYS A 4 0.274 13.857 -8.704 1.00 51.42 H new ATOM 0 HZ1 LYS A 4 -1.013 14.042 -10.681 1.00 65.24 H new ATOM 0 HZ2 LYS A 4 0.248 12.951 -11.005 1.00 65.24 H new ATOM 0 HZ3 LYS A 4 -1.324 12.373 -10.726 1.00 65.24 H new ATOM 64 N GLY A 5 -0.262 8.308 -11.560 1.00 22.21 N ATOM 65 CA GLY A 5 0.303 8.165 -12.889 1.00 75.13 C ATOM 66 C GLY A 5 -0.569 7.325 -13.802 1.00 10.20 C ATOM 67 O GLY A 5 -0.964 6.215 -13.445 1.00 55.31 O ATOM 0 H GLY A 5 -1.116 8.863 -11.515 1.00 22.21 H new ATOM 0 HA2 GLY A 5 0.441 9.152 -13.330 1.00 75.13 H new ATOM 0 HA3 GLY A 5 1.290 7.709 -12.814 1.00 75.13 H new ATOM 71 N ARG A 6 -0.871 7.856 -14.982 1.00 64.04 N ATOM 72 CA ARG A 6 -1.704 7.149 -15.948 1.00 24.13 C ATOM 73 C ARG A 6 -0.863 6.615 -17.104 1.00 4.33 C ATOM 74 O ARG A 6 -0.745 5.405 -17.294 1.00 32.55 O ATOM 75 CB ARG A 6 -2.798 8.074 -16.483 1.00 42.04 C ATOM 76 CG ARG A 6 -3.860 7.354 -17.298 1.00 65.53 C ATOM 77 CD ARG A 6 -5.074 8.237 -17.536 1.00 33.13 C ATOM 78 NE ARG A 6 -5.927 8.325 -16.353 1.00 64.11 N ATOM 79 CZ ARG A 6 -6.922 9.195 -16.228 1.00 13.22 C ATOM 80 NH1 ARG A 6 -7.189 10.047 -17.208 1.00 15.42 N ATOM 81 NH2 ARG A 6 -7.653 9.214 -15.121 1.00 34.03 N ATOM 0 H ARG A 6 -0.551 8.774 -15.292 1.00 64.04 H new ATOM 0 HA ARG A 6 -2.169 6.304 -15.440 1.00 24.13 H new ATOM 0 HB2 ARG A 6 -3.277 8.580 -15.644 1.00 42.04 H new ATOM 0 HB3 ARG A 6 -2.339 8.846 -17.101 1.00 42.04 H new ATOM 0 HG2 ARG A 6 -3.439 7.047 -18.255 1.00 65.53 H new ATOM 0 HG3 ARG A 6 -4.166 6.446 -16.778 1.00 65.53 H new ATOM 0 HD2 ARG A 6 -4.745 9.236 -17.821 1.00 33.13 H new ATOM 0 HD3 ARG A 6 -5.652 7.841 -18.371 1.00 33.13 H new ATOM 0 HE ARG A 6 -5.748 7.683 -15.581 1.00 64.11 H new ATOM 0 HH11 ARG A 6 -6.629 10.035 -18.061 1.00 15.42 H new ATOM 0 HH12 ARG A 6 -7.954 10.714 -17.109 1.00 15.42 H new ATOM 0 HH21 ARG A 6 -7.451 8.560 -14.365 1.00 34.03 H new ATOM 0 HH22 ARG A 6 -8.417 9.883 -15.026 1.00 34.03 H new ATOM 95 N LYS A 7 -0.279 7.527 -17.874 1.00 55.24 N ATOM 96 CA LYS A 7 0.551 7.150 -19.012 1.00 4.13 C ATOM 97 C LYS A 7 1.790 6.388 -18.552 1.00 32.53 C ATOM 98 O LYS A 7 2.312 6.629 -17.463 1.00 31.33 O ATOM 99 CB LYS A 7 0.969 8.394 -19.799 1.00 52.12 C ATOM 100 CG LYS A 7 1.874 9.332 -19.020 1.00 13.44 C ATOM 101 CD LYS A 7 1.728 10.769 -19.492 1.00 55.04 C ATOM 102 CE LYS A 7 2.701 11.088 -20.617 1.00 23.44 C ATOM 103 NZ LYS A 7 4.113 11.089 -20.144 1.00 3.14 N ATOM 0 H LYS A 7 -0.365 8.533 -17.730 1.00 55.24 H new ATOM 0 HA LYS A 7 -0.037 6.498 -19.659 1.00 4.13 H new ATOM 0 HB2 LYS A 7 1.481 8.082 -20.710 1.00 52.12 H new ATOM 0 HB3 LYS A 7 0.075 8.937 -20.106 1.00 52.12 H new ATOM 0 HG2 LYS A 7 1.635 9.271 -17.958 1.00 13.44 H new ATOM 0 HG3 LYS A 7 2.911 9.015 -19.132 1.00 13.44 H new ATOM 0 HD2 LYS A 7 0.707 10.939 -19.834 1.00 55.04 H new ATOM 0 HD3 LYS A 7 1.902 11.447 -18.656 1.00 55.04 H new ATOM 0 HE2 LYS A 7 2.586 10.355 -21.416 1.00 23.44 H new ATOM 0 HE3 LYS A 7 2.459 12.063 -21.041 1.00 23.44 H new ATOM 0 HZ1 LYS A 7 4.694 11.666 -20.785 1.00 3.14 H new ATOM 0 HZ2 LYS A 7 4.157 11.487 -19.184 1.00 3.14 H new ATOM 0 HZ3 LYS A 7 4.476 10.114 -20.131 1.00 3.14 H new ATOM 117 N THR A 8 2.257 5.466 -19.389 1.00 1.42 N ATOM 118 CA THR A 8 3.434 4.669 -19.068 1.00 41.03 C ATOM 119 C THR A 8 4.485 4.773 -20.168 1.00 12.02 C ATOM 120 O THR A 8 4.269 5.430 -21.187 1.00 75.53 O ATOM 121 CB THR A 8 3.069 3.187 -18.861 1.00 62.11 C ATOM 122 OG1 THR A 8 2.039 2.803 -19.779 1.00 1.12 O ATOM 123 CG2 THR A 8 2.603 2.939 -17.435 1.00 33.34 C ATOM 0 H THR A 8 1.838 5.253 -20.294 1.00 1.42 H new ATOM 0 HA THR A 8 3.843 5.068 -18.140 1.00 41.03 H new ATOM 0 HB THR A 8 3.960 2.587 -19.045 1.00 62.11 H new ATOM 0 HG1 THR A 8 2.365 2.077 -20.351 1.00 1.12 H new ATOM 0 HG21 THR A 8 2.351 1.886 -17.313 1.00 33.34 H new ATOM 0 HG22 THR A 8 3.400 3.204 -16.740 1.00 33.34 H new ATOM 0 HG23 THR A 8 1.724 3.549 -17.228 1.00 33.34 H new ATOM 131 N LEU A 9 5.623 4.121 -19.956 1.00 12.55 N ATOM 132 CA LEU A 9 6.708 4.140 -20.930 1.00 23.10 C ATOM 133 C LEU A 9 6.855 2.781 -21.608 1.00 14.40 C ATOM 134 O LEU A 9 7.639 1.940 -21.171 1.00 43.13 O ATOM 135 CB LEU A 9 8.023 4.528 -20.251 1.00 51.11 C ATOM 136 CG LEU A 9 8.411 6.005 -20.335 1.00 30.24 C ATOM 137 CD1 LEU A 9 8.538 6.442 -21.786 1.00 14.35 C ATOM 138 CD2 LEU A 9 7.392 6.866 -19.603 1.00 11.21 C ATOM 0 H LEU A 9 5.818 3.573 -19.118 1.00 12.55 H new ATOM 0 HA LEU A 9 6.466 4.882 -21.691 1.00 23.10 H new ATOM 0 HB2 LEU A 9 7.962 4.248 -19.199 1.00 51.11 H new ATOM 0 HB3 LEU A 9 8.825 3.936 -20.692 1.00 51.11 H new ATOM 0 HG LEU A 9 9.380 6.135 -19.853 1.00 30.24 H new ATOM 0 HD11 LEU A 9 8.815 7.496 -21.826 1.00 14.35 H new ATOM 0 HD12 LEU A 9 9.306 5.846 -22.279 1.00 14.35 H new ATOM 0 HD13 LEU A 9 7.585 6.298 -22.294 1.00 14.35 H new ATOM 0 HD21 LEU A 9 7.684 7.914 -19.673 1.00 11.21 H new ATOM 0 HD22 LEU A 9 6.410 6.732 -20.056 1.00 11.21 H new ATOM 0 HD23 LEU A 9 7.351 6.570 -18.555 1.00 11.21 H new ATOM 150 N ALA A 10 6.095 2.575 -22.679 1.00 1.51 N ATOM 151 CA ALA A 10 6.143 1.321 -23.420 1.00 3.21 C ATOM 152 C ALA A 10 5.298 1.399 -24.686 1.00 74.14 C ATOM 153 O ALA A 10 4.440 2.273 -24.821 1.00 23.30 O ATOM 154 CB ALA A 10 5.676 0.171 -22.541 1.00 22.53 C ATOM 0 H ALA A 10 5.439 3.261 -23.053 1.00 1.51 H new ATOM 0 HA ALA A 10 7.177 1.141 -23.716 1.00 3.21 H new ATOM 0 HB1 ALA A 10 5.717 -0.760 -23.107 1.00 22.53 H new ATOM 0 HB2 ALA A 10 6.324 0.094 -21.668 1.00 22.53 H new ATOM 0 HB3 ALA A 10 4.651 0.354 -22.217 1.00 22.53 H new ATOM 160 N THR A 11 5.544 0.480 -25.615 1.00 23.43 N ATOM 161 CA THR A 11 4.807 0.445 -26.871 1.00 51.33 C ATOM 162 C THR A 11 3.303 0.404 -26.625 1.00 41.44 C ATOM 163 O THR A 11 2.836 0.040 -25.546 1.00 52.31 O ATOM 164 CB THR A 11 5.209 -0.772 -27.726 1.00 2.34 C ATOM 165 OG1 THR A 11 5.745 -1.802 -26.888 1.00 71.44 O ATOM 166 CG2 THR A 11 6.237 -0.379 -28.776 1.00 71.33 C ATOM 0 H THR A 11 6.249 -0.251 -25.520 1.00 23.43 H new ATOM 0 HA THR A 11 5.060 1.358 -27.411 1.00 51.33 H new ATOM 0 HB THR A 11 4.319 -1.143 -28.234 1.00 2.34 H new ATOM 0 HG1 THR A 11 5.997 -2.573 -27.438 1.00 71.44 H new ATOM 0 HG21 THR A 11 6.506 -1.254 -29.368 1.00 71.33 H new ATOM 0 HG22 THR A 11 5.816 0.385 -29.429 1.00 71.33 H new ATOM 0 HG23 THR A 11 7.127 0.014 -28.285 1.00 71.33 H new ATOM 174 N PRO A 12 2.525 0.786 -27.649 1.00 33.10 N ATOM 175 CA PRO A 12 1.061 0.800 -27.568 1.00 41.20 C ATOM 176 C PRO A 12 0.470 -0.604 -27.514 1.00 32.31 C ATOM 177 O PRO A 12 -0.697 -0.784 -27.166 1.00 41.31 O ATOM 178 CB PRO A 12 0.641 1.508 -28.859 1.00 23.31 C ATOM 179 CG PRO A 12 1.767 1.269 -29.805 1.00 2.21 C ATOM 180 CD PRO A 12 3.014 1.232 -28.964 1.00 55.14 C ATOM 0 HA PRO A 12 0.708 1.292 -26.662 1.00 41.20 H new ATOM 0 HB2 PRO A 12 -0.294 1.103 -29.246 1.00 23.31 H new ATOM 0 HB3 PRO A 12 0.483 2.574 -28.693 1.00 23.31 H new ATOM 0 HG2 PRO A 12 1.632 0.331 -30.344 1.00 2.21 H new ATOM 0 HG3 PRO A 12 1.824 2.061 -30.552 1.00 2.21 H new ATOM 0 HD2 PRO A 12 3.754 0.543 -29.372 1.00 55.14 H new ATOM 0 HD3 PRO A 12 3.488 2.212 -28.905 1.00 55.14 H new ATOM 188 N ALA A 13 1.283 -1.597 -27.860 1.00 34.34 N ATOM 189 CA ALA A 13 0.840 -2.986 -27.848 1.00 21.13 C ATOM 190 C ALA A 13 0.971 -3.592 -26.455 1.00 22.14 C ATOM 191 O ALA A 13 0.235 -4.510 -26.094 1.00 73.42 O ATOM 192 CB ALA A 13 1.634 -3.802 -28.857 1.00 43.21 C ATOM 0 H ALA A 13 2.251 -1.465 -28.152 1.00 34.34 H new ATOM 0 HA ALA A 13 -0.213 -3.008 -28.128 1.00 21.13 H new ATOM 0 HB1 ALA A 13 1.293 -4.837 -28.837 1.00 43.21 H new ATOM 0 HB2 ALA A 13 1.486 -3.390 -29.855 1.00 43.21 H new ATOM 0 HB3 ALA A 13 2.693 -3.764 -28.602 1.00 43.21 H new ATOM 198 N VAL A 14 1.914 -3.073 -25.675 1.00 2.13 N ATOM 199 CA VAL A 14 2.142 -3.563 -24.320 1.00 55.24 C ATOM 200 C VAL A 14 1.018 -3.132 -23.384 1.00 42.42 C ATOM 201 O VAL A 14 0.670 -3.848 -22.445 1.00 52.42 O ATOM 202 CB VAL A 14 3.484 -3.059 -23.759 1.00 45.23 C ATOM 203 CG1 VAL A 14 3.717 -3.606 -22.359 1.00 45.22 C ATOM 204 CG2 VAL A 14 4.627 -3.443 -24.688 1.00 11.45 C ATOM 0 H VAL A 14 2.533 -2.313 -25.958 1.00 2.13 H new ATOM 0 HA VAL A 14 2.167 -4.651 -24.377 1.00 55.24 H new ATOM 0 HB VAL A 14 3.447 -1.971 -23.696 1.00 45.23 H new ATOM 0 HG11 VAL A 14 4.670 -3.239 -21.979 1.00 45.22 H new ATOM 0 HG12 VAL A 14 2.913 -3.276 -21.701 1.00 45.22 H new ATOM 0 HG13 VAL A 14 3.735 -4.695 -22.392 1.00 45.22 H new ATOM 0 HG21 VAL A 14 5.568 -3.079 -24.276 1.00 11.45 H new ATOM 0 HG22 VAL A 14 4.669 -4.528 -24.785 1.00 11.45 H new ATOM 0 HG23 VAL A 14 4.464 -2.997 -25.669 1.00 11.45 H new ATOM 214 N ARG A 15 0.455 -1.957 -23.647 1.00 14.03 N ATOM 215 CA ARG A 15 -0.630 -1.430 -22.827 1.00 45.51 C ATOM 216 C ARG A 15 -1.811 -2.395 -22.801 1.00 41.04 C ATOM 217 O ARG A 15 -2.342 -2.713 -21.737 1.00 71.33 O ATOM 218 CB ARG A 15 -1.082 -0.067 -23.357 1.00 23.52 C ATOM 219 CG ARG A 15 0.055 0.926 -23.533 1.00 24.42 C ATOM 220 CD ARG A 15 -0.450 2.360 -23.520 1.00 74.42 C ATOM 221 NE ARG A 15 -0.994 2.737 -22.218 1.00 75.44 N ATOM 222 CZ ARG A 15 -1.551 3.917 -21.968 1.00 71.53 C ATOM 223 NH1 ARG A 15 -1.637 4.829 -22.926 1.00 51.13 N ATOM 224 NH2 ARG A 15 -2.024 4.185 -20.758 1.00 3.31 N ATOM 0 H ARG A 15 0.732 -1.352 -24.420 1.00 14.03 H new ATOM 0 HA ARG A 15 -0.258 -1.312 -21.809 1.00 45.51 H new ATOM 0 HB2 ARG A 15 -1.582 -0.207 -24.315 1.00 23.52 H new ATOM 0 HB3 ARG A 15 -1.818 0.354 -22.672 1.00 23.52 H new ATOM 0 HG2 ARG A 15 0.785 0.789 -22.736 1.00 24.42 H new ATOM 0 HG3 ARG A 15 0.569 0.729 -24.474 1.00 24.42 H new ATOM 0 HD2 ARG A 15 0.366 3.034 -23.781 1.00 74.42 H new ATOM 0 HD3 ARG A 15 -1.219 2.480 -24.283 1.00 74.42 H new ATOM 0 HE ARG A 15 -0.944 2.057 -21.459 1.00 75.44 H new ATOM 0 HH11 ARG A 15 -1.275 4.626 -23.858 1.00 51.13 H new ATOM 0 HH12 ARG A 15 -2.065 5.734 -22.732 1.00 51.13 H new ATOM 0 HH21 ARG A 15 -1.960 3.485 -20.019 1.00 3.31 H new ATOM 0 HH22 ARG A 15 -2.451 5.091 -20.567 1.00 3.31 H new ATOM 238 N ARG A 16 -2.217 -2.857 -23.980 1.00 2.34 N ATOM 239 CA ARG A 16 -3.336 -3.784 -24.092 1.00 71.13 C ATOM 240 C ARG A 16 -2.923 -5.189 -23.663 1.00 74.13 C ATOM 241 O ARG A 16 -3.701 -5.913 -23.040 1.00 21.11 O ATOM 242 CB ARG A 16 -3.861 -3.811 -25.529 1.00 63.51 C ATOM 243 CG ARG A 16 -5.060 -4.725 -25.722 1.00 60.03 C ATOM 244 CD ARG A 16 -4.633 -6.128 -26.125 1.00 44.32 C ATOM 245 NE ARG A 16 -5.635 -6.787 -26.958 1.00 63.12 N ATOM 246 CZ ARG A 16 -5.702 -8.103 -27.124 1.00 31.45 C ATOM 247 NH1 ARG A 16 -4.831 -8.897 -26.516 1.00 2.31 N ATOM 248 NH2 ARG A 16 -6.643 -8.629 -27.898 1.00 11.33 N ATOM 0 H ARG A 16 -1.788 -2.604 -24.870 1.00 2.34 H new ATOM 0 HA ARG A 16 -4.129 -3.439 -23.429 1.00 71.13 H new ATOM 0 HB2 ARG A 16 -4.135 -2.799 -25.826 1.00 63.51 H new ATOM 0 HB3 ARG A 16 -3.059 -4.132 -26.194 1.00 63.51 H new ATOM 0 HG2 ARG A 16 -5.636 -4.770 -24.798 1.00 60.03 H new ATOM 0 HG3 ARG A 16 -5.716 -4.310 -26.487 1.00 60.03 H new ATOM 0 HD2 ARG A 16 -3.688 -6.078 -26.666 1.00 44.32 H new ATOM 0 HD3 ARG A 16 -4.457 -6.724 -25.230 1.00 44.32 H new ATOM 0 HE ARG A 16 -6.321 -6.205 -27.439 1.00 63.12 H new ATOM 0 HH11 ARG A 16 -4.107 -8.497 -25.919 1.00 2.31 H new ATOM 0 HH12 ARG A 16 -4.885 -9.907 -26.645 1.00 2.31 H new ATOM 0 HH21 ARG A 16 -7.316 -8.022 -28.366 1.00 11.33 H new ATOM 0 HH22 ARG A 16 -6.693 -9.640 -28.025 1.00 11.33 H new ATOM 262 N LEU A 17 -1.696 -5.569 -24.001 1.00 51.54 N ATOM 263 CA LEU A 17 -1.179 -6.887 -23.652 1.00 34.31 C ATOM 264 C LEU A 17 -1.276 -7.129 -22.149 1.00 21.11 C ATOM 265 O LEU A 17 -1.986 -8.028 -21.699 1.00 64.33 O ATOM 266 CB LEU A 17 0.274 -7.025 -24.110 1.00 34.31 C ATOM 267 CG LEU A 17 0.815 -8.452 -24.204 1.00 71.22 C ATOM 268 CD1 LEU A 17 1.959 -8.524 -25.204 1.00 20.14 C ATOM 269 CD2 LEU A 17 1.267 -8.942 -22.837 1.00 24.55 C ATOM 0 H LEU A 17 -1.040 -4.982 -24.517 1.00 51.54 H new ATOM 0 HA LEU A 17 -1.786 -7.635 -24.162 1.00 34.31 H new ATOM 0 HB2 LEU A 17 0.372 -6.556 -25.089 1.00 34.31 H new ATOM 0 HB3 LEU A 17 0.906 -6.463 -23.422 1.00 34.31 H new ATOM 0 HG LEU A 17 0.013 -9.102 -24.553 1.00 71.22 H new ATOM 0 HD11 LEU A 17 2.331 -9.547 -25.258 1.00 20.14 H new ATOM 0 HD12 LEU A 17 1.603 -8.215 -26.187 1.00 20.14 H new ATOM 0 HD13 LEU A 17 2.763 -7.861 -24.885 1.00 20.14 H new ATOM 0 HD21 LEU A 17 1.649 -9.959 -22.923 1.00 24.55 H new ATOM 0 HD22 LEU A 17 2.054 -8.290 -22.459 1.00 24.55 H new ATOM 0 HD23 LEU A 17 0.422 -8.929 -22.148 1.00 24.55 H new ATOM 281 N ALA A 18 -0.559 -6.319 -21.377 1.00 41.22 N ATOM 282 CA ALA A 18 -0.567 -6.442 -19.925 1.00 11.12 C ATOM 283 C ALA A 18 -1.988 -6.374 -19.376 1.00 73.32 C ATOM 284 O ALA A 18 -2.277 -6.911 -18.307 1.00 2.21 O ATOM 285 CB ALA A 18 0.295 -5.356 -19.298 1.00 51.12 C ATOM 0 H ALA A 18 0.035 -5.570 -21.733 1.00 41.22 H new ATOM 0 HA ALA A 18 -0.151 -7.416 -19.666 1.00 11.12 H new ATOM 0 HB1 ALA A 18 0.280 -5.460 -18.213 1.00 51.12 H new ATOM 0 HB2 ALA A 18 1.320 -5.452 -19.657 1.00 51.12 H new ATOM 0 HB3 ALA A 18 -0.096 -4.377 -19.574 1.00 51.12 H new ATOM 291 N MET A 19 -2.872 -5.711 -20.115 1.00 22.11 N ATOM 292 CA MET A 19 -4.264 -5.574 -19.701 1.00 64.24 C ATOM 293 C MET A 19 -4.985 -6.916 -19.769 1.00 74.33 C ATOM 294 O MET A 19 -5.797 -7.238 -18.903 1.00 34.43 O ATOM 295 CB MET A 19 -4.982 -4.551 -20.583 1.00 44.31 C ATOM 296 CG MET A 19 -6.243 -3.984 -19.952 1.00 52.13 C ATOM 297 SD MET A 19 -5.894 -2.718 -18.717 1.00 43.42 S ATOM 298 CE MET A 19 -6.527 -3.504 -17.238 1.00 13.42 C ATOM 0 H MET A 19 -2.649 -5.261 -21.003 1.00 22.11 H new ATOM 0 HA MET A 19 -4.278 -5.226 -18.668 1.00 64.24 H new ATOM 0 HB2 MET A 19 -4.298 -3.733 -20.807 1.00 44.31 H new ATOM 0 HB3 MET A 19 -5.240 -5.020 -21.533 1.00 44.31 H new ATOM 0 HG2 MET A 19 -6.876 -3.560 -20.732 1.00 52.13 H new ATOM 0 HG3 MET A 19 -6.807 -4.793 -19.488 1.00 52.13 H new ATOM 0 HE1 MET A 19 -6.383 -2.842 -16.384 1.00 13.42 H new ATOM 0 HE2 MET A 19 -7.590 -3.710 -17.362 1.00 13.42 H new ATOM 0 HE3 MET A 19 -5.994 -4.439 -17.066 1.00 13.42 H new ATOM 308 N GLU A 20 -4.684 -7.694 -20.804 1.00 63.04 N ATOM 309 CA GLU A 20 -5.306 -9.001 -20.984 1.00 44.43 C ATOM 310 C GLU A 20 -5.027 -9.905 -19.787 1.00 61.35 C ATOM 311 O GLU A 20 -5.746 -10.874 -19.548 1.00 31.13 O ATOM 312 CB GLU A 20 -4.795 -9.661 -22.267 1.00 11.04 C ATOM 313 CG GLU A 20 -3.503 -10.438 -22.078 1.00 43.44 C ATOM 314 CD GLU A 20 -2.593 -10.360 -23.289 1.00 55.54 C ATOM 315 OE1 GLU A 20 -3.081 -9.976 -24.373 1.00 55.40 O ATOM 316 OE2 GLU A 20 -1.395 -10.682 -23.154 1.00 21.31 O ATOM 0 H GLU A 20 -4.014 -7.442 -21.530 1.00 63.04 H new ATOM 0 HA GLU A 20 -6.383 -8.855 -21.064 1.00 44.43 H new ATOM 0 HB2 GLU A 20 -5.562 -10.335 -22.649 1.00 11.04 H new ATOM 0 HB3 GLU A 20 -4.640 -8.892 -23.024 1.00 11.04 H new ATOM 0 HG2 GLU A 20 -2.975 -10.052 -21.206 1.00 43.44 H new ATOM 0 HG3 GLU A 20 -3.738 -11.482 -21.871 1.00 43.44 H new ATOM 323 N ASN A 21 -3.977 -9.581 -19.040 1.00 63.21 N ATOM 324 CA ASN A 21 -3.601 -10.365 -17.869 1.00 12.43 C ATOM 325 C ASN A 21 -3.905 -9.601 -16.583 1.00 73.13 C ATOM 326 O ASN A 21 -3.386 -9.929 -15.517 1.00 52.13 O ATOM 327 CB ASN A 21 -2.114 -10.722 -17.923 1.00 55.24 C ATOM 328 CG ASN A 21 -1.626 -10.947 -19.341 1.00 43.12 C ATOM 329 OD1 ASN A 21 -0.810 -10.025 -19.839 1.00 33.42 O flip ATOM 330 ND2 ASN A 21 -1.977 -11.938 -19.981 1.00 51.21 N flip ATOM 0 H ASN A 21 -3.371 -8.781 -19.224 1.00 63.21 H new ATOM 0 HA ASN A 21 -4.188 -11.283 -17.874 1.00 12.43 H new ATOM 0 HB2 ASN A 21 -1.534 -9.921 -17.464 1.00 55.24 H new ATOM 0 HB3 ASN A 21 -1.937 -11.622 -17.333 1.00 55.24 H new ATOM 0 HD21 ASN A 21 -2.606 -12.621 -19.559 1.00 51.21 H new ATOM 0 HD22 ASN A 21 -1.639 -12.076 -20.934 1.00 51.21 H new ATOM 337 N ASN A 22 -4.751 -8.582 -16.693 1.00 42.51 N ATOM 338 CA ASN A 22 -5.125 -7.771 -15.540 1.00 5.03 C ATOM 339 C ASN A 22 -3.892 -7.154 -14.886 1.00 22.43 C ATOM 340 O ASN A 22 -3.711 -7.243 -13.671 1.00 33.42 O ATOM 341 CB ASN A 22 -5.887 -8.619 -14.519 1.00 64.25 C ATOM 342 CG ASN A 22 -6.958 -9.477 -15.165 1.00 42.53 C ATOM 343 OD1 ASN A 22 -7.087 -10.662 -14.861 1.00 65.51 O ATOM 344 ND2 ASN A 22 -7.733 -8.878 -16.063 1.00 22.44 N ATOM 0 H ASN A 22 -5.190 -8.298 -17.569 1.00 42.51 H new ATOM 0 HA ASN A 22 -5.772 -6.965 -15.888 1.00 5.03 H new ATOM 0 HB2 ASN A 22 -5.184 -9.260 -13.986 1.00 64.25 H new ATOM 0 HB3 ASN A 22 -6.347 -7.965 -13.778 1.00 64.25 H new ATOM 0 HD21 ASN A 22 -8.471 -9.404 -16.531 1.00 22.44 H new ATOM 0 HD22 ASN A 22 -7.590 -7.893 -16.284 1.00 22.44 H new ATOM 351 N ILE A 23 -3.047 -6.529 -15.699 1.00 74.52 N ATOM 352 CA ILE A 23 -1.833 -5.897 -15.200 1.00 10.25 C ATOM 353 C ILE A 23 -1.549 -4.593 -15.938 1.00 2.05 C ATOM 354 O ILE A 23 -1.694 -4.513 -17.158 1.00 3.44 O ATOM 355 CB ILE A 23 -0.615 -6.828 -15.339 1.00 24.53 C ATOM 356 CG1 ILE A 23 -0.811 -8.091 -14.496 1.00 53.54 C ATOM 357 CG2 ILE A 23 0.657 -6.103 -14.926 1.00 41.51 C ATOM 358 CD1 ILE A 23 0.201 -9.176 -14.789 1.00 33.02 C ATOM 0 H ILE A 23 -3.181 -6.447 -16.707 1.00 74.52 H new ATOM 0 HA ILE A 23 -1.999 -5.685 -14.144 1.00 10.25 H new ATOM 0 HB ILE A 23 -0.520 -7.122 -16.384 1.00 24.53 H new ATOM 0 HG12 ILE A 23 -0.752 -7.826 -13.440 1.00 53.54 H new ATOM 0 HG13 ILE A 23 -1.813 -8.483 -14.671 1.00 53.54 H new ATOM 0 HG21 ILE A 23 1.509 -6.775 -15.030 1.00 41.51 H new ATOM 0 HG22 ILE A 23 0.802 -5.231 -15.564 1.00 41.51 H new ATOM 0 HG23 ILE A 23 0.572 -5.783 -13.888 1.00 41.51 H new ATOM 0 HD11 ILE A 23 0.001 -10.040 -14.156 1.00 33.02 H new ATOM 0 HD12 ILE A 23 0.128 -9.469 -15.836 1.00 33.02 H new ATOM 0 HD13 ILE A 23 1.205 -8.802 -14.586 1.00 33.02 H new ATOM 370 N LYS A 24 -1.141 -3.573 -15.190 1.00 34.02 N ATOM 371 CA LYS A 24 -0.833 -2.272 -15.772 1.00 21.22 C ATOM 372 C LYS A 24 0.639 -2.186 -16.162 1.00 61.00 C ATOM 373 O LYS A 24 1.432 -3.069 -15.832 1.00 2.34 O ATOM 374 CB LYS A 24 -1.176 -1.154 -14.784 1.00 60.44 C ATOM 375 CG LYS A 24 -0.508 -1.314 -13.429 1.00 54.34 C ATOM 376 CD LYS A 24 -0.812 -0.138 -12.517 1.00 10.45 C ATOM 377 CE LYS A 24 -1.190 -0.601 -11.118 1.00 3.42 C ATOM 378 NZ LYS A 24 -1.309 0.541 -10.169 1.00 23.11 N ATOM 0 H LYS A 24 -1.016 -3.623 -14.179 1.00 34.02 H new ATOM 0 HA LYS A 24 -1.437 -2.152 -16.671 1.00 21.22 H new ATOM 0 HB2 LYS A 24 -0.881 -0.197 -15.214 1.00 60.44 H new ATOM 0 HB3 LYS A 24 -2.257 -1.122 -14.646 1.00 60.44 H new ATOM 0 HG2 LYS A 24 -0.849 -2.237 -12.960 1.00 54.34 H new ATOM 0 HG3 LYS A 24 0.570 -1.404 -13.562 1.00 54.34 H new ATOM 0 HD2 LYS A 24 0.058 0.516 -12.462 1.00 10.45 H new ATOM 0 HD3 LYS A 24 -1.627 0.450 -12.939 1.00 10.45 H new ATOM 0 HE2 LYS A 24 -2.136 -1.141 -11.157 1.00 3.42 H new ATOM 0 HE3 LYS A 24 -0.439 -1.301 -10.752 1.00 3.42 H new ATOM 0 HZ1 LYS A 24 -1.568 0.184 -9.227 1.00 23.11 H new ATOM 0 HZ2 LYS A 24 -0.399 1.041 -10.112 1.00 23.11 H new ATOM 0 HZ3 LYS A 24 -2.044 1.196 -10.505 1.00 23.11 H new ATOM 392 N LEU A 25 0.998 -1.118 -16.865 1.00 5.30 N ATOM 393 CA LEU A 25 2.376 -0.915 -17.299 1.00 25.40 C ATOM 394 C LEU A 25 3.205 -0.265 -16.196 1.00 30.35 C ATOM 395 O LEU A 25 4.434 -0.249 -16.257 1.00 3.35 O ATOM 396 CB LEU A 25 2.413 -0.048 -18.558 1.00 42.23 C ATOM 397 CG LEU A 25 2.540 -0.796 -19.886 1.00 22.44 C ATOM 398 CD1 LEU A 25 3.934 -1.387 -20.034 1.00 52.11 C ATOM 399 CD2 LEU A 25 1.483 -1.887 -19.986 1.00 45.22 C ATOM 0 H LEU A 25 0.354 -0.379 -17.147 1.00 5.30 H new ATOM 0 HA LEU A 25 2.806 -1.891 -17.524 1.00 25.40 H new ATOM 0 HB2 LEU A 25 1.504 0.553 -18.588 1.00 42.23 H new ATOM 0 HB3 LEU A 25 3.250 0.645 -18.473 1.00 42.23 H new ATOM 0 HG LEU A 25 2.380 -0.087 -20.698 1.00 22.44 H new ATOM 0 HD11 LEU A 25 4.006 -1.916 -20.985 1.00 52.11 H new ATOM 0 HD12 LEU A 25 4.673 -0.587 -20.007 1.00 52.11 H new ATOM 0 HD13 LEU A 25 4.123 -2.083 -19.217 1.00 52.11 H new ATOM 0 HD21 LEU A 25 1.588 -2.409 -20.937 1.00 45.22 H new ATOM 0 HD22 LEU A 25 1.612 -2.595 -19.167 1.00 45.22 H new ATOM 0 HD23 LEU A 25 0.491 -1.439 -19.925 1.00 45.22 H new ATOM 411 N SER A 26 2.523 0.267 -15.186 1.00 42.45 N ATOM 412 CA SER A 26 3.196 0.920 -14.070 1.00 0.25 C ATOM 413 C SER A 26 3.426 -0.062 -12.925 1.00 64.01 C ATOM 414 O SER A 26 3.673 0.340 -11.789 1.00 4.32 O ATOM 415 CB SER A 26 2.373 2.112 -13.576 1.00 75.54 C ATOM 416 OG SER A 26 3.209 3.123 -13.043 1.00 13.45 O ATOM 0 H SER A 26 1.505 0.258 -15.118 1.00 42.45 H new ATOM 0 HA SER A 26 4.164 1.277 -14.421 1.00 0.25 H new ATOM 0 HB2 SER A 26 1.785 2.518 -14.399 1.00 75.54 H new ATOM 0 HB3 SER A 26 1.668 1.780 -12.814 1.00 75.54 H new ATOM 0 HG SER A 26 2.659 3.874 -12.736 1.00 13.45 H new ATOM 422 N GLU A 27 3.343 -1.352 -13.235 1.00 21.11 N ATOM 423 CA GLU A 27 3.542 -2.392 -12.232 1.00 75.23 C ATOM 424 C GLU A 27 4.615 -3.381 -12.679 1.00 13.21 C ATOM 425 O GLU A 27 5.400 -3.871 -11.867 1.00 52.11 O ATOM 426 CB GLU A 27 2.229 -3.133 -11.967 1.00 1.31 C ATOM 427 CG GLU A 27 2.169 -3.793 -10.600 1.00 34.03 C ATOM 428 CD GLU A 27 0.936 -4.659 -10.424 1.00 65.33 C ATOM 429 OE1 GLU A 27 -0.006 -4.521 -11.231 1.00 73.43 O ATOM 430 OE2 GLU A 27 0.916 -5.476 -9.479 1.00 52.24 O ATOM 0 H GLU A 27 3.140 -1.702 -14.171 1.00 21.11 H new ATOM 0 HA GLU A 27 3.874 -1.914 -11.311 1.00 75.23 H new ATOM 0 HB2 GLU A 27 1.400 -2.431 -12.059 1.00 1.31 H new ATOM 0 HB3 GLU A 27 2.089 -3.894 -12.735 1.00 1.31 H new ATOM 0 HG2 GLU A 27 3.061 -4.403 -10.456 1.00 34.03 H new ATOM 0 HG3 GLU A 27 2.181 -3.023 -9.828 1.00 34.03 H new ATOM 437 N VAL A 28 4.642 -3.670 -13.976 1.00 52.21 N ATOM 438 CA VAL A 28 5.618 -4.599 -14.532 1.00 70.21 C ATOM 439 C VAL A 28 7.034 -4.229 -14.105 1.00 60.33 C ATOM 440 O VAL A 28 7.349 -3.055 -13.911 1.00 33.11 O ATOM 441 CB VAL A 28 5.549 -4.632 -16.071 1.00 2.45 C ATOM 442 CG1 VAL A 28 6.482 -5.698 -16.625 1.00 34.15 C ATOM 443 CG2 VAL A 28 4.120 -4.868 -16.535 1.00 11.13 C ATOM 0 H VAL A 28 3.999 -3.274 -14.661 1.00 52.21 H new ATOM 0 HA VAL A 28 5.371 -5.587 -14.144 1.00 70.21 H new ATOM 0 HB VAL A 28 5.875 -3.665 -16.453 1.00 2.45 H new ATOM 0 HG11 VAL A 28 6.420 -5.706 -17.713 1.00 34.15 H new ATOM 0 HG12 VAL A 28 7.506 -5.479 -16.322 1.00 34.15 H new ATOM 0 HG13 VAL A 28 6.190 -6.674 -16.237 1.00 34.15 H new ATOM 0 HG21 VAL A 28 4.090 -4.888 -17.624 1.00 11.13 H new ATOM 0 HG22 VAL A 28 3.763 -5.821 -16.144 1.00 11.13 H new ATOM 0 HG23 VAL A 28 3.481 -4.064 -16.169 1.00 11.13 H new ATOM 453 N VAL A 29 7.886 -5.240 -13.961 1.00 52.45 N ATOM 454 CA VAL A 29 9.270 -5.021 -13.559 1.00 61.01 C ATOM 455 C VAL A 29 10.063 -4.335 -14.666 1.00 75.44 C ATOM 456 O VAL A 29 10.733 -4.992 -15.462 1.00 52.33 O ATOM 457 CB VAL A 29 9.964 -6.346 -13.192 1.00 33.34 C ATOM 458 CG1 VAL A 29 11.375 -6.088 -12.686 1.00 71.31 C ATOM 459 CG2 VAL A 29 9.148 -7.105 -12.156 1.00 13.23 C ATOM 0 H VAL A 29 7.642 -6.218 -14.117 1.00 52.45 H new ATOM 0 HA VAL A 29 9.246 -4.376 -12.681 1.00 61.01 H new ATOM 0 HB VAL A 29 10.033 -6.961 -14.089 1.00 33.34 H new ATOM 0 HG11 VAL A 29 11.849 -7.036 -12.432 1.00 71.31 H new ATOM 0 HG12 VAL A 29 11.955 -5.589 -13.463 1.00 71.31 H new ATOM 0 HG13 VAL A 29 11.334 -5.454 -11.800 1.00 71.31 H new ATOM 0 HG21 VAL A 29 9.653 -8.039 -11.908 1.00 13.23 H new ATOM 0 HG22 VAL A 29 9.046 -6.498 -11.257 1.00 13.23 H new ATOM 0 HG23 VAL A 29 8.159 -7.323 -12.560 1.00 13.23 H new ATOM 469 N GLY A 30 9.981 -3.009 -14.711 1.00 2.13 N ATOM 470 CA GLY A 30 10.696 -2.255 -15.724 1.00 61.32 C ATOM 471 C GLY A 30 11.356 -1.011 -15.164 1.00 24.44 C ATOM 472 O GLY A 30 11.450 -0.845 -13.948 1.00 5.43 O ATOM 0 H GLY A 30 9.432 -2.443 -14.064 1.00 2.13 H new ATOM 0 HA2 GLY A 30 11.455 -2.892 -16.178 1.00 61.32 H new ATOM 0 HA3 GLY A 30 10.004 -1.970 -16.516 1.00 61.32 H new ATOM 476 N SER A 31 11.817 -0.136 -16.052 1.00 32.21 N ATOM 477 CA SER A 31 12.477 1.097 -15.639 1.00 21.41 C ATOM 478 C SER A 31 11.663 2.316 -16.061 1.00 4.33 C ATOM 479 O SER A 31 11.886 3.424 -15.573 1.00 71.34 O ATOM 480 CB SER A 31 13.882 1.174 -16.240 1.00 72.32 C ATOM 481 OG SER A 31 14.446 -0.118 -16.386 1.00 73.11 O ATOM 0 H SER A 31 11.746 -0.258 -17.062 1.00 32.21 H new ATOM 0 HA SER A 31 12.555 1.092 -14.552 1.00 21.41 H new ATOM 0 HB2 SER A 31 13.839 1.667 -17.211 1.00 72.32 H new ATOM 0 HB3 SER A 31 14.521 1.783 -15.601 1.00 72.32 H new ATOM 0 HG SER A 31 15.420 -0.043 -16.462 1.00 73.11 H new ATOM 487 N GLY A 32 10.718 2.103 -16.971 1.00 42.45 N ATOM 488 CA GLY A 32 9.885 3.193 -17.445 1.00 1.44 C ATOM 489 C GLY A 32 10.698 4.385 -17.910 1.00 3.14 C ATOM 490 O GLY A 32 10.246 5.527 -17.824 1.00 74.15 O ATOM 0 H GLY A 32 10.514 1.195 -17.389 1.00 42.45 H new ATOM 0 HA2 GLY A 32 9.262 2.839 -18.267 1.00 1.44 H new ATOM 0 HA3 GLY A 32 9.212 3.505 -16.647 1.00 1.44 H new ATOM 494 N LYS A 33 11.904 4.121 -18.402 1.00 30.15 N ATOM 495 CA LYS A 33 12.784 5.180 -18.882 1.00 32.23 C ATOM 496 C LYS A 33 12.803 5.222 -20.406 1.00 72.03 C ATOM 497 O LYS A 33 13.370 4.342 -21.054 1.00 3.10 O ATOM 498 CB LYS A 33 14.203 4.972 -18.349 1.00 4.30 C ATOM 499 CG LYS A 33 15.072 6.215 -18.433 1.00 3.31 C ATOM 500 CD LYS A 33 15.079 6.981 -17.120 1.00 74.14 C ATOM 501 CE LYS A 33 16.218 7.987 -17.067 1.00 65.52 C ATOM 502 NZ LYS A 33 16.040 8.969 -15.962 1.00 64.22 N ATOM 0 H LYS A 33 12.294 3.182 -18.479 1.00 30.15 H new ATOM 0 HA LYS A 33 12.400 6.132 -18.515 1.00 32.23 H new ATOM 0 HB2 LYS A 33 14.148 4.647 -17.310 1.00 4.30 H new ATOM 0 HB3 LYS A 33 14.679 4.168 -18.910 1.00 4.30 H new ATOM 0 HG2 LYS A 33 16.091 5.930 -18.695 1.00 3.31 H new ATOM 0 HG3 LYS A 33 14.707 6.862 -19.231 1.00 3.31 H new ATOM 0 HD2 LYS A 33 14.128 7.499 -16.995 1.00 74.14 H new ATOM 0 HD3 LYS A 33 15.172 6.281 -16.290 1.00 74.14 H new ATOM 0 HE2 LYS A 33 17.163 7.459 -16.935 1.00 65.52 H new ATOM 0 HE3 LYS A 33 16.279 8.517 -18.018 1.00 65.52 H new ATOM 0 HZ1 LYS A 33 16.837 9.637 -15.960 1.00 64.22 H new ATOM 0 HZ2 LYS A 33 15.151 9.491 -16.101 1.00 64.22 H new ATOM 0 HZ3 LYS A 33 16.008 8.466 -15.052 1.00 64.22 H new ATOM 516 N ASP A 34 12.181 6.250 -20.973 1.00 34.12 N ATOM 517 CA ASP A 34 12.128 6.408 -22.422 1.00 24.14 C ATOM 518 C ASP A 34 11.582 5.148 -23.086 1.00 53.33 C ATOM 519 O ASP A 34 11.912 4.845 -24.232 1.00 4.22 O ATOM 520 CB ASP A 34 13.519 6.727 -22.972 1.00 3.13 C ATOM 521 CG ASP A 34 13.851 8.204 -22.886 1.00 30.02 C ATOM 522 OD1 ASP A 34 14.351 8.639 -21.828 1.00 23.33 O ATOM 523 OD2 ASP A 34 13.609 8.925 -23.876 1.00 43.35 O ATOM 0 H ASP A 34 11.706 6.987 -20.451 1.00 34.12 H new ATOM 0 HA ASP A 34 11.457 7.237 -22.649 1.00 24.14 H new ATOM 0 HB2 ASP A 34 14.265 6.157 -22.418 1.00 3.13 H new ATOM 0 HB3 ASP A 34 13.578 6.404 -24.011 1.00 3.13 H new ATOM 528 N GLY A 35 10.743 4.417 -22.358 1.00 42.10 N ATOM 529 CA GLY A 35 10.165 3.198 -22.893 1.00 2.20 C ATOM 530 C GLY A 35 11.020 1.979 -22.610 1.00 34.52 C ATOM 531 O GLY A 35 11.211 1.130 -23.481 1.00 52.44 O ATOM 0 H GLY A 35 10.453 4.647 -21.407 1.00 42.10 H new ATOM 0 HA2 GLY A 35 9.174 3.051 -22.464 1.00 2.20 H new ATOM 0 HA3 GLY A 35 10.034 3.304 -23.970 1.00 2.20 H new ATOM 535 N ARG A 36 11.536 1.890 -21.388 1.00 41.55 N ATOM 536 CA ARG A 36 12.377 0.767 -20.994 1.00 4.01 C ATOM 537 C ARG A 36 11.544 -0.498 -20.809 1.00 50.22 C ATOM 538 O ARG A 36 12.054 -1.612 -20.931 1.00 11.01 O ATOM 539 CB ARG A 36 13.125 1.092 -19.699 1.00 75.11 C ATOM 540 CG ARG A 36 14.451 0.362 -19.562 1.00 13.14 C ATOM 541 CD ARG A 36 15.470 0.865 -20.572 1.00 24.44 C ATOM 542 NE ARG A 36 16.340 1.893 -20.006 1.00 53.03 N ATOM 543 CZ ARG A 36 17.241 2.564 -20.715 1.00 2.05 C ATOM 544 NH1 ARG A 36 17.391 2.316 -22.008 1.00 54.45 N ATOM 545 NH2 ARG A 36 17.995 3.485 -20.129 1.00 2.34 N ATOM 0 H ARG A 36 11.386 2.582 -20.654 1.00 41.55 H new ATOM 0 HA ARG A 36 13.101 0.591 -21.790 1.00 4.01 H new ATOM 0 HB2 ARG A 36 13.305 2.166 -19.653 1.00 75.11 H new ATOM 0 HB3 ARG A 36 12.491 0.838 -18.850 1.00 75.11 H new ATOM 0 HG2 ARG A 36 14.840 0.498 -18.553 1.00 13.14 H new ATOM 0 HG3 ARG A 36 14.295 -0.708 -19.702 1.00 13.14 H new ATOM 0 HD2 ARG A 36 16.076 0.030 -20.922 1.00 24.44 H new ATOM 0 HD3 ARG A 36 14.950 1.268 -21.441 1.00 24.44 H new ATOM 0 HE ARG A 36 16.251 2.107 -19.013 1.00 53.03 H new ATOM 0 HH11 ARG A 36 16.814 1.608 -22.462 1.00 54.45 H new ATOM 0 HH12 ARG A 36 18.084 2.833 -22.549 1.00 54.45 H new ATOM 0 HH21 ARG A 36 17.883 3.678 -19.134 1.00 2.34 H new ATOM 0 HH22 ARG A 36 18.687 4.000 -20.674 1.00 2.34 H new ATOM 559 N ILE A 37 10.261 -0.317 -20.515 1.00 1.15 N ATOM 560 CA ILE A 37 9.358 -1.443 -20.314 1.00 33.12 C ATOM 561 C ILE A 37 8.957 -2.070 -21.645 1.00 30.33 C ATOM 562 O ILE A 37 7.947 -1.695 -22.242 1.00 0.25 O ATOM 563 CB ILE A 37 8.086 -1.017 -19.556 1.00 43.24 C ATOM 564 CG1 ILE A 37 8.449 -0.118 -18.373 1.00 13.15 C ATOM 565 CG2 ILE A 37 7.316 -2.241 -19.083 1.00 44.30 C ATOM 566 CD1 ILE A 37 7.249 0.348 -17.578 1.00 12.00 C ATOM 0 H ILE A 37 9.824 0.599 -20.411 1.00 1.15 H new ATOM 0 HA ILE A 37 9.898 -2.178 -19.717 1.00 33.12 H new ATOM 0 HB ILE A 37 7.448 -0.452 -20.235 1.00 43.24 H new ATOM 0 HG12 ILE A 37 9.126 -0.658 -17.711 1.00 13.15 H new ATOM 0 HG13 ILE A 37 8.991 0.753 -18.742 1.00 13.15 H new ATOM 0 HG21 ILE A 37 6.420 -1.923 -18.549 1.00 44.30 H new ATOM 0 HG22 ILE A 37 7.030 -2.846 -19.943 1.00 44.30 H new ATOM 0 HG23 ILE A 37 7.945 -2.832 -18.417 1.00 44.30 H new ATOM 0 HD11 ILE A 37 7.581 0.981 -16.755 1.00 12.00 H new ATOM 0 HD12 ILE A 37 6.581 0.916 -18.226 1.00 12.00 H new ATOM 0 HD13 ILE A 37 6.719 -0.517 -17.179 1.00 12.00 H new ATOM 578 N LEU A 38 9.753 -3.029 -22.104 1.00 65.10 N ATOM 579 CA LEU A 38 9.481 -3.711 -23.364 1.00 63.44 C ATOM 580 C LEU A 38 9.001 -5.138 -23.119 1.00 13.03 C ATOM 581 O LEU A 38 8.925 -5.591 -21.976 1.00 61.35 O ATOM 582 CB LEU A 38 10.736 -3.727 -24.240 1.00 32.43 C ATOM 583 CG LEU A 38 10.953 -2.499 -25.124 1.00 2.34 C ATOM 584 CD1 LEU A 38 12.439 -2.235 -25.315 1.00 13.34 C ATOM 585 CD2 LEU A 38 10.265 -2.681 -26.468 1.00 53.44 C ATOM 0 H LEU A 38 10.592 -3.352 -21.622 1.00 65.10 H new ATOM 0 HA LEU A 38 8.691 -3.165 -23.880 1.00 63.44 H new ATOM 0 HB2 LEU A 38 11.605 -3.842 -23.592 1.00 32.43 H new ATOM 0 HB3 LEU A 38 10.697 -4.608 -24.880 1.00 32.43 H new ATOM 0 HG LEU A 38 10.512 -1.635 -24.627 1.00 2.34 H new ATOM 0 HD11 LEU A 38 12.574 -1.357 -25.947 1.00 13.34 H new ATOM 0 HD12 LEU A 38 12.905 -2.059 -24.345 1.00 13.34 H new ATOM 0 HD13 LEU A 38 12.904 -3.099 -25.790 1.00 13.34 H new ATOM 0 HD21 LEU A 38 10.430 -1.797 -27.084 1.00 53.44 H new ATOM 0 HD22 LEU A 38 10.676 -3.556 -26.971 1.00 53.44 H new ATOM 0 HD23 LEU A 38 9.195 -2.820 -26.313 1.00 53.44 H new ATOM 597 N LYS A 39 8.678 -5.842 -24.198 1.00 65.42 N ATOM 598 CA LYS A 39 8.208 -7.219 -24.102 1.00 24.33 C ATOM 599 C LYS A 39 9.194 -8.077 -23.315 1.00 3.12 C ATOM 600 O LYS A 39 8.808 -9.058 -22.681 1.00 30.22 O ATOM 601 CB LYS A 39 8.005 -7.809 -25.499 1.00 31.50 C ATOM 602 CG LYS A 39 9.303 -8.124 -26.222 1.00 4.44 C ATOM 603 CD LYS A 39 9.109 -8.159 -27.728 1.00 74.31 C ATOM 604 CE LYS A 39 10.353 -8.670 -28.439 1.00 53.50 C ATOM 605 NZ LYS A 39 11.343 -7.582 -28.674 1.00 75.10 N ATOM 0 H LYS A 39 8.733 -5.481 -25.151 1.00 65.42 H new ATOM 0 HA LYS A 39 7.255 -7.215 -23.574 1.00 24.33 H new ATOM 0 HB2 LYS A 39 7.415 -8.721 -25.416 1.00 31.50 H new ATOM 0 HB3 LYS A 39 7.426 -7.108 -26.100 1.00 31.50 H new ATOM 0 HG2 LYS A 39 10.053 -7.375 -25.968 1.00 4.44 H new ATOM 0 HG3 LYS A 39 9.686 -9.086 -25.881 1.00 4.44 H new ATOM 0 HD2 LYS A 39 8.261 -8.799 -27.972 1.00 74.31 H new ATOM 0 HD3 LYS A 39 8.868 -7.159 -28.088 1.00 74.31 H new ATOM 0 HE2 LYS A 39 10.814 -9.458 -27.844 1.00 53.50 H new ATOM 0 HE3 LYS A 39 10.069 -9.115 -29.393 1.00 53.50 H new ATOM 0 HZ1 LYS A 39 11.743 -7.677 -29.629 1.00 75.10 H new ATOM 0 HZ2 LYS A 39 10.872 -6.659 -28.586 1.00 75.10 H new ATOM 0 HZ3 LYS A 39 12.106 -7.650 -27.971 1.00 75.10 H new ATOM 619 N GLU A 40 10.468 -7.699 -23.359 1.00 51.55 N ATOM 620 CA GLU A 40 11.508 -8.434 -22.649 1.00 51.24 C ATOM 621 C GLU A 40 11.185 -8.532 -21.161 1.00 60.32 C ATOM 622 O GLU A 40 11.386 -9.576 -20.539 1.00 51.33 O ATOM 623 CB GLU A 40 12.866 -7.756 -22.844 1.00 70.31 C ATOM 624 CG GLU A 40 13.249 -7.569 -24.302 1.00 64.44 C ATOM 625 CD GLU A 40 13.064 -8.832 -25.121 1.00 30.41 C ATOM 626 OE1 GLU A 40 13.265 -9.934 -24.568 1.00 3.54 O ATOM 627 OE2 GLU A 40 12.717 -8.719 -26.315 1.00 41.13 O ATOM 0 H GLU A 40 10.804 -6.888 -23.879 1.00 51.55 H new ATOM 0 HA GLU A 40 11.551 -9.442 -23.061 1.00 51.24 H new ATOM 0 HB2 GLU A 40 12.850 -6.783 -22.353 1.00 70.31 H new ATOM 0 HB3 GLU A 40 13.634 -8.350 -22.349 1.00 70.31 H new ATOM 0 HG2 GLU A 40 12.646 -6.770 -24.733 1.00 64.44 H new ATOM 0 HG3 GLU A 40 14.290 -7.251 -24.362 1.00 64.44 H new ATOM 634 N ASP A 41 10.684 -7.439 -20.597 1.00 43.10 N ATOM 635 CA ASP A 41 10.333 -7.401 -19.182 1.00 51.12 C ATOM 636 C ASP A 41 8.912 -7.909 -18.962 1.00 35.14 C ATOM 637 O ASP A 41 8.631 -8.588 -17.973 1.00 42.21 O ATOM 638 CB ASP A 41 10.469 -5.978 -18.639 1.00 50.40 C ATOM 639 CG ASP A 41 11.794 -5.749 -17.939 1.00 64.33 C ATOM 640 OD1 ASP A 41 12.182 -6.600 -17.111 1.00 51.34 O ATOM 641 OD2 ASP A 41 12.444 -4.720 -18.219 1.00 53.41 O ATOM 0 H ASP A 41 10.512 -6.567 -21.098 1.00 43.10 H new ATOM 0 HA ASP A 41 11.021 -8.054 -18.644 1.00 51.12 H new ATOM 0 HB2 ASP A 41 10.368 -5.268 -19.460 1.00 50.40 H new ATOM 0 HB3 ASP A 41 9.654 -5.779 -17.943 1.00 50.40 H new ATOM 646 N ILE A 42 8.019 -7.575 -19.888 1.00 31.35 N ATOM 647 CA ILE A 42 6.627 -7.998 -19.794 1.00 21.03 C ATOM 648 C ILE A 42 6.512 -9.519 -19.809 1.00 42.51 C ATOM 649 O ILE A 42 5.930 -10.117 -18.904 1.00 23.45 O ATOM 650 CB ILE A 42 5.784 -7.419 -20.945 1.00 61.02 C ATOM 651 CG1 ILE A 42 5.850 -5.890 -20.936 1.00 31.41 C ATOM 652 CG2 ILE A 42 4.343 -7.893 -20.837 1.00 34.23 C ATOM 653 CD1 ILE A 42 5.170 -5.264 -19.739 1.00 13.40 C ATOM 0 H ILE A 42 8.235 -7.013 -20.711 1.00 31.35 H new ATOM 0 HA ILE A 42 6.245 -7.617 -18.847 1.00 21.03 H new ATOM 0 HB ILE A 42 6.193 -7.776 -21.890 1.00 61.02 H new ATOM 0 HG12 ILE A 42 6.895 -5.579 -20.954 1.00 31.41 H new ATOM 0 HG13 ILE A 42 5.388 -5.509 -21.847 1.00 31.41 H new ATOM 0 HG21 ILE A 42 3.760 -7.475 -21.658 1.00 34.23 H new ATOM 0 HG22 ILE A 42 4.313 -8.981 -20.888 1.00 34.23 H new ATOM 0 HG23 ILE A 42 3.922 -7.563 -19.888 1.00 34.23 H new ATOM 0 HD11 ILE A 42 5.256 -4.179 -19.798 1.00 13.40 H new ATOM 0 HD12 ILE A 42 4.117 -5.545 -19.731 1.00 13.40 H new ATOM 0 HD13 ILE A 42 5.647 -5.616 -18.824 1.00 13.40 H new ATOM 665 N LEU A 43 7.072 -10.138 -20.842 1.00 72.13 N ATOM 666 CA LEU A 43 7.034 -11.590 -20.975 1.00 64.35 C ATOM 667 C LEU A 43 7.545 -12.267 -19.707 1.00 43.24 C ATOM 668 O LEU A 43 7.051 -13.322 -19.313 1.00 14.44 O ATOM 669 CB LEU A 43 7.871 -12.034 -22.177 1.00 5.25 C ATOM 670 CG LEU A 43 7.318 -13.209 -22.983 1.00 22.31 C ATOM 671 CD1 LEU A 43 7.242 -14.460 -22.121 1.00 2.55 C ATOM 672 CD2 LEU A 43 5.949 -12.868 -23.552 1.00 51.14 C ATOM 0 H LEU A 43 7.558 -9.658 -21.599 1.00 72.13 H new ATOM 0 HA LEU A 43 5.997 -11.889 -21.131 1.00 64.35 H new ATOM 0 HB2 LEU A 43 7.988 -11.183 -22.847 1.00 5.25 H new ATOM 0 HB3 LEU A 43 8.867 -12.299 -21.823 1.00 5.25 H new ATOM 0 HG LEU A 43 7.996 -13.406 -23.813 1.00 22.31 H new ATOM 0 HD11 LEU A 43 6.846 -15.286 -22.712 1.00 2.55 H new ATOM 0 HD12 LEU A 43 8.239 -14.716 -21.762 1.00 2.55 H new ATOM 0 HD13 LEU A 43 6.586 -14.276 -21.270 1.00 2.55 H new ATOM 0 HD21 LEU A 43 5.571 -13.716 -24.123 1.00 51.14 H new ATOM 0 HD22 LEU A 43 5.262 -12.644 -22.736 1.00 51.14 H new ATOM 0 HD23 LEU A 43 6.033 -11.999 -24.205 1.00 51.14 H new ATOM 684 N ASN A 44 8.537 -11.651 -19.073 1.00 3.42 N ATOM 685 CA ASN A 44 9.114 -12.193 -17.848 1.00 3.51 C ATOM 686 C ASN A 44 8.197 -11.938 -16.656 1.00 20.24 C ATOM 687 O ASN A 44 8.201 -12.694 -15.684 1.00 10.04 O ATOM 688 CB ASN A 44 10.489 -11.573 -17.589 1.00 41.34 C ATOM 689 CG ASN A 44 11.357 -12.442 -16.700 1.00 42.03 C ATOM 690 OD1 ASN A 44 11.628 -12.097 -15.550 1.00 32.32 O ATOM 691 ND2 ASN A 44 11.799 -13.576 -17.231 1.00 74.34 N ATOM 0 H ASN A 44 8.958 -10.777 -19.387 1.00 3.42 H new ATOM 0 HA ASN A 44 9.226 -13.270 -17.974 1.00 3.51 H new ATOM 0 HB2 ASN A 44 10.996 -11.410 -18.540 1.00 41.34 H new ATOM 0 HB3 ASN A 44 10.362 -10.595 -17.124 1.00 41.34 H new ATOM 0 HD21 ASN A 44 12.388 -14.201 -16.681 1.00 74.34 H new ATOM 0 HD22 ASN A 44 11.549 -13.822 -18.189 1.00 74.34 H new ATOM 698 N TYR A 45 7.412 -10.870 -16.738 1.00 10.23 N ATOM 699 CA TYR A 45 6.490 -10.514 -15.665 1.00 64.32 C ATOM 700 C TYR A 45 5.288 -11.453 -15.646 1.00 62.42 C ATOM 701 O TYR A 45 4.990 -12.079 -14.628 1.00 71.10 O ATOM 702 CB TYR A 45 6.019 -9.068 -15.827 1.00 64.15 C ATOM 703 CG TYR A 45 5.278 -8.534 -14.623 1.00 3.23 C ATOM 704 CD1 TYR A 45 5.967 -8.036 -13.524 1.00 3.15 C ATOM 705 CD2 TYR A 45 3.890 -8.528 -14.583 1.00 14.30 C ATOM 706 CE1 TYR A 45 5.295 -7.547 -12.420 1.00 74.32 C ATOM 707 CE2 TYR A 45 3.209 -8.040 -13.485 1.00 14.33 C ATOM 708 CZ TYR A 45 3.915 -7.551 -12.406 1.00 4.12 C ATOM 709 OH TYR A 45 3.241 -7.065 -11.309 1.00 74.32 O ATOM 0 H TYR A 45 7.395 -10.235 -17.536 1.00 10.23 H new ATOM 0 HA TYR A 45 7.020 -10.612 -14.718 1.00 64.32 H new ATOM 0 HB2 TYR A 45 6.883 -8.433 -16.022 1.00 64.15 H new ATOM 0 HB3 TYR A 45 5.371 -9.002 -16.701 1.00 64.15 H new ATOM 0 HD1 TYR A 45 7.047 -8.031 -13.533 1.00 3.15 H new ATOM 0 HD2 TYR A 45 3.333 -8.912 -15.425 1.00 14.30 H new ATOM 0 HE1 TYR A 45 5.846 -7.164 -11.574 1.00 74.32 H new ATOM 0 HE2 TYR A 45 2.129 -8.041 -13.471 1.00 14.33 H new ATOM 0 HH TYR A 45 2.275 -7.138 -11.459 1.00 74.32 H new ATOM 719 N LEU A 46 4.602 -11.547 -16.779 1.00 75.35 N ATOM 720 CA LEU A 46 3.431 -12.411 -16.896 1.00 2.53 C ATOM 721 C LEU A 46 3.800 -13.867 -16.631 1.00 42.32 C ATOM 722 O LEU A 46 2.959 -14.664 -16.218 1.00 63.31 O ATOM 723 CB LEU A 46 2.809 -12.275 -18.286 1.00 51.44 C ATOM 724 CG LEU A 46 2.035 -10.983 -18.552 1.00 35.10 C ATOM 725 CD1 LEU A 46 1.030 -10.725 -17.440 1.00 11.22 C ATOM 726 CD2 LEU A 46 2.991 -9.808 -18.693 1.00 55.43 C ATOM 0 H LEU A 46 4.836 -11.036 -17.630 1.00 75.35 H new ATOM 0 HA LEU A 46 2.703 -12.098 -16.147 1.00 2.53 H new ATOM 0 HB2 LEU A 46 3.604 -12.358 -19.027 1.00 51.44 H new ATOM 0 HB3 LEU A 46 2.136 -13.117 -18.445 1.00 51.44 H new ATOM 0 HG LEU A 46 1.489 -11.095 -19.489 1.00 35.10 H new ATOM 0 HD11 LEU A 46 0.489 -9.802 -17.646 1.00 11.22 H new ATOM 0 HD12 LEU A 46 0.325 -11.555 -17.387 1.00 11.22 H new ATOM 0 HD13 LEU A 46 1.555 -10.633 -16.489 1.00 11.22 H new ATOM 0 HD21 LEU A 46 2.423 -8.897 -18.882 1.00 55.43 H new ATOM 0 HD22 LEU A 46 3.565 -9.693 -17.773 1.00 55.43 H new ATOM 0 HD23 LEU A 46 3.671 -9.990 -19.525 1.00 55.43 H new ATOM 738 N GLU A 47 5.063 -14.205 -16.871 1.00 5.33 N ATOM 739 CA GLU A 47 5.543 -15.565 -16.657 1.00 3.13 C ATOM 740 C GLU A 47 5.937 -15.780 -15.198 1.00 45.32 C ATOM 741 O GLU A 47 5.705 -16.847 -14.631 1.00 31.33 O ATOM 742 CB GLU A 47 6.737 -15.857 -17.568 1.00 24.44 C ATOM 743 CG GLU A 47 6.344 -16.388 -18.936 1.00 33.22 C ATOM 744 CD GLU A 47 7.443 -17.210 -19.581 1.00 74.00 C ATOM 745 OE1 GLU A 47 8.041 -18.054 -18.882 1.00 60.23 O ATOM 746 OE2 GLU A 47 7.704 -17.009 -20.786 1.00 14.43 O ATOM 0 H GLU A 47 5.772 -13.556 -17.213 1.00 5.33 H new ATOM 0 HA GLU A 47 4.733 -16.252 -16.901 1.00 3.13 H new ATOM 0 HB2 GLU A 47 7.318 -14.943 -17.695 1.00 24.44 H new ATOM 0 HB3 GLU A 47 7.387 -16.583 -17.079 1.00 24.44 H new ATOM 0 HG2 GLU A 47 5.447 -17.000 -18.840 1.00 33.22 H new ATOM 0 HG3 GLU A 47 6.091 -15.551 -19.587 1.00 33.22 H new ATOM 753 N LYS A 48 6.536 -14.757 -14.597 1.00 24.42 N ATOM 754 CA LYS A 48 6.963 -14.832 -13.205 1.00 3.44 C ATOM 755 C LYS A 48 5.760 -14.910 -12.270 1.00 64.20 C ATOM 756 O LYS A 48 4.757 -14.228 -12.477 1.00 63.13 O ATOM 757 CB LYS A 48 7.821 -13.616 -12.847 1.00 45.24 C ATOM 758 CG LYS A 48 8.445 -13.697 -11.465 1.00 3.31 C ATOM 759 CD LYS A 48 9.889 -14.166 -11.531 1.00 72.40 C ATOM 760 CE LYS A 48 10.715 -13.589 -10.392 1.00 64.41 C ATOM 761 NZ LYS A 48 11.089 -12.170 -10.642 1.00 3.21 N ATOM 0 H LYS A 48 6.737 -13.867 -15.052 1.00 24.42 H new ATOM 0 HA LYS A 48 7.557 -15.738 -13.082 1.00 3.44 H new ATOM 0 HB2 LYS A 48 8.613 -13.510 -13.588 1.00 45.24 H new ATOM 0 HB3 LYS A 48 7.206 -12.718 -12.907 1.00 45.24 H new ATOM 0 HG2 LYS A 48 8.401 -12.718 -10.987 1.00 3.31 H new ATOM 0 HG3 LYS A 48 7.867 -14.381 -10.844 1.00 3.31 H new ATOM 0 HD2 LYS A 48 9.921 -15.255 -11.490 1.00 72.40 H new ATOM 0 HD3 LYS A 48 10.326 -13.870 -12.485 1.00 72.40 H new ATOM 0 HE2 LYS A 48 10.150 -13.657 -9.463 1.00 64.41 H new ATOM 0 HE3 LYS A 48 11.618 -14.185 -10.260 1.00 64.41 H new ATOM 0 HZ1 LYS A 48 11.651 -11.813 -9.843 1.00 3.21 H new ATOM 0 HZ2 LYS A 48 11.650 -12.108 -11.515 1.00 3.21 H new ATOM 0 HZ3 LYS A 48 10.227 -11.596 -10.742 1.00 3.21 H new ATOM 775 N GLN A 49 5.869 -15.745 -11.241 1.00 44.24 N ATOM 776 CA GLN A 49 4.790 -15.911 -10.275 1.00 50.33 C ATOM 777 C GLN A 49 3.464 -16.176 -10.981 1.00 0.14 C ATOM 778 O GLN A 49 2.506 -15.417 -10.831 1.00 35.23 O ATOM 779 CB GLN A 49 4.672 -14.667 -9.392 1.00 72.14 C ATOM 780 CG GLN A 49 6.012 -14.051 -9.026 1.00 25.51 C ATOM 781 CD GLN A 49 5.926 -13.144 -7.815 1.00 3.22 C ATOM 782 OE1 GLN A 49 5.331 -12.068 -7.872 1.00 53.43 O ATOM 783 NE2 GLN A 49 6.522 -13.574 -6.709 1.00 1.13 N ATOM 0 H GLN A 49 6.693 -16.316 -11.055 1.00 44.24 H new ATOM 0 HA GLN A 49 5.026 -16.771 -9.649 1.00 50.33 H new ATOM 0 HB2 GLN A 49 4.068 -13.921 -9.908 1.00 72.14 H new ATOM 0 HB3 GLN A 49 4.141 -14.930 -8.477 1.00 72.14 H new ATOM 0 HG2 GLN A 49 6.731 -14.846 -8.829 1.00 25.51 H new ATOM 0 HG3 GLN A 49 6.390 -13.482 -9.875 1.00 25.51 H new ATOM 0 HE21 GLN A 49 7.004 -14.473 -6.706 1.00 1.13 H new ATOM 0 HE22 GLN A 49 6.498 -13.006 -5.862 1.00 1.13 H new ATOM 792 N THR A 50 3.415 -17.258 -11.751 1.00 64.04 N ATOM 793 CA THR A 50 2.208 -17.623 -12.481 1.00 52.24 C ATOM 794 C THR A 50 1.201 -18.314 -11.569 1.00 25.31 C ATOM 795 O THR A 50 1.379 -19.476 -11.199 1.00 3.44 O ATOM 796 CB THR A 50 2.528 -18.549 -13.669 1.00 71.54 C ATOM 797 OG1 THR A 50 3.697 -19.326 -13.384 1.00 34.10 O ATOM 798 CG2 THR A 50 2.747 -17.743 -14.941 1.00 35.51 C ATOM 0 H THR A 50 4.198 -17.897 -11.885 1.00 64.04 H new ATOM 0 HA THR A 50 1.775 -16.697 -12.859 1.00 52.24 H new ATOM 0 HB THR A 50 1.678 -19.214 -13.821 1.00 71.54 H new ATOM 0 HG1 THR A 50 3.893 -19.913 -14.144 1.00 34.10 H new ATOM 0 HG21 THR A 50 2.972 -18.419 -15.766 1.00 35.51 H new ATOM 0 HG22 THR A 50 1.845 -17.176 -15.172 1.00 35.51 H new ATOM 0 HG23 THR A 50 3.581 -17.056 -14.797 1.00 35.51 H new ATOM 806 N LEU A 51 0.144 -17.595 -11.210 1.00 20.04 N ATOM 807 CA LEU A 51 -0.893 -18.140 -10.340 1.00 24.30 C ATOM 808 C LEU A 51 -2.142 -17.265 -10.367 1.00 22.50 C ATOM 809 O LEU A 51 -2.051 -16.039 -10.404 1.00 2.13 O ATOM 810 CB LEU A 51 -0.372 -18.262 -8.907 1.00 2.52 C ATOM 811 CG LEU A 51 -1.323 -18.909 -7.899 1.00 51.45 C ATOM 812 CD1 LEU A 51 -1.229 -20.425 -7.974 1.00 3.41 C ATOM 813 CD2 LEU A 51 -1.019 -18.422 -6.490 1.00 41.11 C ATOM 0 H LEU A 51 -0.018 -16.633 -11.508 1.00 20.04 H new ATOM 0 HA LEU A 51 -1.158 -19.131 -10.709 1.00 24.30 H new ATOM 0 HB2 LEU A 51 0.553 -18.839 -8.926 1.00 2.52 H new ATOM 0 HB3 LEU A 51 -0.118 -17.265 -8.548 1.00 2.52 H new ATOM 0 HG LEU A 51 -2.342 -18.616 -8.150 1.00 51.45 H new ATOM 0 HD11 LEU A 51 -1.913 -20.868 -7.250 1.00 3.41 H new ATOM 0 HD12 LEU A 51 -1.498 -20.757 -8.977 1.00 3.41 H new ATOM 0 HD13 LEU A 51 -0.209 -20.738 -7.749 1.00 3.41 H new ATOM 0 HD21 LEU A 51 -1.705 -18.893 -5.786 1.00 41.11 H new ATOM 0 HD22 LEU A 51 0.006 -18.684 -6.228 1.00 41.11 H new ATOM 0 HD23 LEU A 51 -1.139 -17.340 -6.445 1.00 41.11 H new ATOM 825 N GLU A 52 -3.307 -17.905 -10.347 1.00 22.45 N ATOM 826 CA GLU A 52 -4.574 -17.184 -10.367 1.00 71.33 C ATOM 827 C GLU A 52 -4.636 -16.160 -9.238 1.00 30.45 C ATOM 828 O GLU A 52 -4.817 -14.967 -9.478 1.00 33.23 O ATOM 829 CB GLU A 52 -5.745 -18.162 -10.249 1.00 22.44 C ATOM 830 CG GLU A 52 -5.752 -18.948 -8.948 1.00 52.00 C ATOM 831 CD GLU A 52 -6.819 -20.025 -8.923 1.00 70.33 C ATOM 832 OE1 GLU A 52 -8.017 -19.673 -8.943 1.00 32.40 O ATOM 833 OE2 GLU A 52 -6.456 -21.219 -8.884 1.00 33.50 O ATOM 0 H GLU A 52 -3.399 -18.920 -10.317 1.00 22.45 H new ATOM 0 HA GLU A 52 -4.646 -16.655 -11.317 1.00 71.33 H new ATOM 0 HB2 GLU A 52 -6.680 -17.608 -10.334 1.00 22.44 H new ATOM 0 HB3 GLU A 52 -5.710 -18.860 -11.085 1.00 22.44 H new ATOM 0 HG2 GLU A 52 -4.774 -19.407 -8.800 1.00 52.00 H new ATOM 0 HG3 GLU A 52 -5.912 -18.263 -8.115 1.00 52.00 H new TER 840 GLU A 52