USER MOD reduce.3.24.130724 H: found=0, std=0, add=793, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 788 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 77 THR OG1 : rot -102:sc= 0.0715 USER MOD Set 1.2: A 88 GLN : amide:sc= -6.54! C(o=-6.5!,f=-8.7!) USER MOD Single : A 1 TYR N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 HIS : no HD1:sc= -2.21! C(o=-2.2!,f=-2.3!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot -150:sc= -0.814 USER MOD Single : A 26 SER OG : rot 180:sc=-0.00162 USER MOD Single : A 31 HIS : no HE2:sc= -7.38! C(o=-7.4!,f=-8.1!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN :FLIP amide:sc= 0 F(o=-0.89,f=0) USER MOD Single : A 38 MET CE :methyl -126:sc= -5.2! (180deg=-7.32!) USER MOD Single : A 45 HIS : no HD1:sc= 0 X(o=0,f=-0.065) USER MOD Single : A 47 SER OG : rot 34:sc= 0.904 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -0.184 K(o=-0.18,f=-1.3!) USER MOD Single : A 64 ASN : amide:sc= -0.613! K(o=-0.61!,f=-1.6) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ -111:sc= 0.458 (180deg=-0.0112) USER MOD Single : A 74 TYR OH : rot 180:sc= -1.65 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 TYR OH : rot 180:sc= -1.11 USER MOD Single : A 90 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 1 2.333 0.006 0.629 1.00 22.43 N ATOM 2 CA TYR A 1 2.971 0.017 -0.682 1.00 33.40 C ATOM 3 C TYR A 1 3.925 -1.164 -0.834 1.00 2.04 C ATOM 4 O TYR A 1 4.743 -1.431 0.046 1.00 43.11 O ATOM 5 CB TYR A 1 3.728 1.329 -0.893 1.00 75.04 C ATOM 6 CG TYR A 1 3.680 1.833 -2.318 1.00 74.22 C ATOM 7 CD1 TYR A 1 4.264 1.111 -3.351 1.00 73.34 C ATOM 8 CD2 TYR A 1 3.049 3.031 -2.631 1.00 62.11 C ATOM 9 CE1 TYR A 1 4.223 1.568 -4.654 1.00 70.24 C ATOM 10 CE2 TYR A 1 3.002 3.495 -3.931 1.00 62.05 C ATOM 11 CZ TYR A 1 3.591 2.760 -4.939 1.00 50.24 C ATOM 12 OH TYR A 1 3.547 3.218 -6.236 1.00 50.23 O ATOM 0 H1 TYR A 1 1.689 0.819 0.708 1.00 22.43 H new ATOM 0 H2 TYR A 1 1.794 -0.876 0.745 1.00 22.43 H new ATOM 0 H3 TYR A 1 3.061 0.067 1.370 1.00 22.43 H new ATOM 0 HA TYR A 1 2.191 -0.070 -1.438 1.00 33.40 H new ATOM 0 HB2 TYR A 1 3.311 2.090 -0.233 1.00 75.04 H new ATOM 0 HB3 TYR A 1 4.769 1.189 -0.601 1.00 75.04 H new ATOM 0 HD1 TYR A 1 4.759 0.176 -3.132 1.00 73.34 H new ATOM 0 HD2 TYR A 1 2.587 3.609 -1.844 1.00 62.11 H new ATOM 0 HE1 TYR A 1 4.683 0.995 -5.445 1.00 70.24 H new ATOM 0 HE2 TYR A 1 2.507 4.428 -4.157 1.00 62.05 H new ATOM 0 HH TYR A 1 3.064 4.070 -6.266 1.00 50.23 H new ATOM 22 N GLU A 2 3.813 -1.867 -1.957 1.00 3.54 N ATOM 23 CA GLU A 2 4.666 -3.019 -2.224 1.00 51.21 C ATOM 24 C GLU A 2 5.369 -2.874 -3.571 1.00 21.43 C ATOM 25 O GLU A 2 5.043 -3.571 -4.531 1.00 71.31 O ATOM 26 CB GLU A 2 3.841 -4.307 -2.203 1.00 22.44 C ATOM 27 CG GLU A 2 3.249 -4.629 -0.841 1.00 3.44 C ATOM 28 CD GLU A 2 1.796 -5.053 -0.921 1.00 53.34 C ATOM 29 OE1 GLU A 2 1.539 -6.250 -1.163 1.00 60.44 O ATOM 30 OE2 GLU A 2 0.915 -4.186 -0.742 1.00 53.32 O ATOM 0 H GLU A 2 3.141 -1.659 -2.695 1.00 3.54 H new ATOM 0 HA GLU A 2 5.423 -3.068 -1.442 1.00 51.21 H new ATOM 0 HB2 GLU A 2 3.033 -4.223 -2.930 1.00 22.44 H new ATOM 0 HB3 GLU A 2 4.471 -5.137 -2.521 1.00 22.44 H new ATOM 0 HG2 GLU A 2 3.830 -5.425 -0.375 1.00 3.44 H new ATOM 0 HG3 GLU A 2 3.333 -3.754 -0.197 1.00 3.44 H new ATOM 37 N ALA A 3 6.335 -1.964 -3.632 1.00 64.14 N ATOM 38 CA ALA A 3 7.086 -1.729 -4.860 1.00 11.44 C ATOM 39 C ALA A 3 6.163 -1.288 -5.991 1.00 44.11 C ATOM 40 O ALA A 3 5.028 -1.748 -6.114 1.00 22.21 O ATOM 41 CB ALA A 3 7.852 -2.981 -5.258 1.00 62.12 C ATOM 0 H ALA A 3 6.616 -1.377 -2.846 1.00 64.14 H new ATOM 0 HA ALA A 3 7.798 -0.925 -4.673 1.00 11.44 H new ATOM 0 HB1 ALA A 3 8.408 -2.791 -6.176 1.00 62.12 H new ATOM 0 HB2 ALA A 3 8.547 -3.251 -4.463 1.00 62.12 H new ATOM 0 HB3 ALA A 3 7.151 -3.800 -5.421 1.00 62.12 H new ATOM 47 N PRO A 4 6.660 -0.374 -6.838 1.00 72.24 N ATOM 48 CA PRO A 4 5.896 0.149 -7.975 1.00 71.20 C ATOM 49 C PRO A 4 5.692 -0.896 -9.067 1.00 24.23 C ATOM 50 O PRO A 4 6.328 -1.951 -9.076 1.00 53.22 O ATOM 51 CB PRO A 4 6.767 1.297 -8.490 1.00 4.12 C ATOM 52 CG PRO A 4 8.150 0.945 -8.061 1.00 10.12 C ATOM 53 CD PRO A 4 8.005 0.218 -6.752 1.00 41.34 C ATOM 0 HA PRO A 4 4.891 0.455 -7.684 1.00 71.20 H new ATOM 0 HB2 PRO A 4 6.700 1.389 -9.574 1.00 4.12 H new ATOM 0 HB3 PRO A 4 6.453 2.252 -8.069 1.00 4.12 H new ATOM 0 HG2 PRO A 4 8.641 0.317 -8.804 1.00 10.12 H new ATOM 0 HG3 PRO A 4 8.762 1.839 -7.945 1.00 10.12 H new ATOM 0 HD2 PRO A 4 8.773 -0.546 -6.629 1.00 41.34 H new ATOM 0 HD3 PRO A 4 8.092 0.897 -5.904 1.00 41.34 H new ATOM 61 N PRO A 5 4.786 -0.599 -10.010 1.00 30.23 N ATOM 62 CA PRO A 5 4.479 -1.500 -11.124 1.00 72.52 C ATOM 63 C PRO A 5 5.628 -1.602 -12.122 1.00 12.44 C ATOM 64 O PRO A 5 6.191 -0.590 -12.539 1.00 32.02 O ATOM 65 CB PRO A 5 3.257 -0.851 -11.780 1.00 5.25 C ATOM 66 CG PRO A 5 3.360 0.592 -11.425 1.00 1.43 C ATOM 67 CD PRO A 5 3.992 0.640 -10.061 1.00 34.31 C ATOM 0 HA PRO A 5 4.306 -2.521 -10.785 1.00 72.52 H new ATOM 0 HB2 PRO A 5 3.264 -0.995 -12.860 1.00 5.25 H new ATOM 0 HB3 PRO A 5 2.330 -1.286 -11.407 1.00 5.25 H new ATOM 0 HG2 PRO A 5 3.965 1.131 -12.154 1.00 1.43 H new ATOM 0 HG3 PRO A 5 2.377 1.063 -11.416 1.00 1.43 H new ATOM 0 HD2 PRO A 5 4.618 1.524 -9.939 1.00 34.31 H new ATOM 0 HD3 PRO A 5 3.242 0.669 -9.271 1.00 34.31 H new ATOM 75 N ALA A 6 5.970 -2.829 -12.500 1.00 44.42 N ATOM 76 CA ALA A 6 7.051 -3.061 -13.451 1.00 33.13 C ATOM 77 C ALA A 6 6.561 -2.909 -14.887 1.00 34.33 C ATOM 78 O ALA A 6 5.471 -3.366 -15.234 1.00 31.20 O ATOM 79 CB ALA A 6 7.651 -4.443 -13.239 1.00 45.13 C ATOM 0 H ALA A 6 5.515 -3.677 -12.163 1.00 44.42 H new ATOM 0 HA ALA A 6 7.823 -2.311 -13.277 1.00 33.13 H new ATOM 0 HB1 ALA A 6 8.457 -4.604 -13.955 1.00 45.13 H new ATOM 0 HB2 ALA A 6 8.046 -4.517 -12.226 1.00 45.13 H new ATOM 0 HB3 ALA A 6 6.881 -5.200 -13.384 1.00 45.13 H new ATOM 85 N THR A 7 7.372 -2.264 -15.719 1.00 51.11 N ATOM 86 CA THR A 7 7.020 -2.050 -17.117 1.00 60.11 C ATOM 87 C THR A 7 7.628 -3.127 -18.008 1.00 64.10 C ATOM 88 O THR A 7 8.637 -2.897 -18.677 1.00 72.31 O ATOM 89 CB THR A 7 7.488 -0.668 -17.609 1.00 44.33 C ATOM 90 OG1 THR A 7 7.052 0.349 -16.701 1.00 11.51 O ATOM 91 CG2 THR A 7 6.948 -0.377 -19.001 1.00 63.44 C ATOM 0 H THR A 7 8.278 -1.880 -15.449 1.00 51.11 H new ATOM 0 HA THR A 7 5.933 -2.101 -17.181 1.00 60.11 H new ATOM 0 HB THR A 7 8.577 -0.673 -17.653 1.00 44.33 H new ATOM 0 HG1 THR A 7 7.355 1.224 -17.020 1.00 11.51 H new ATOM 0 HG21 THR A 7 7.292 0.605 -19.327 1.00 63.44 H new ATOM 0 HG22 THR A 7 7.306 -1.136 -19.696 1.00 63.44 H new ATOM 0 HG23 THR A 7 5.858 -0.391 -18.979 1.00 63.44 H new ATOM 99 N LEU A 8 7.010 -4.303 -18.013 1.00 52.34 N ATOM 100 CA LEU A 8 7.490 -5.416 -18.824 1.00 24.41 C ATOM 101 C LEU A 8 7.063 -5.255 -20.279 1.00 41.02 C ATOM 102 O LEU A 8 5.885 -5.392 -20.609 1.00 5.14 O ATOM 103 CB LEU A 8 6.963 -6.741 -18.270 1.00 22.04 C ATOM 104 CG LEU A 8 7.002 -6.895 -16.749 1.00 32.13 C ATOM 105 CD1 LEU A 8 5.667 -6.497 -16.138 1.00 2.11 C ATOM 106 CD2 LEU A 8 7.360 -8.324 -16.366 1.00 45.43 C ATOM 0 H LEU A 8 6.175 -4.510 -17.464 1.00 52.34 H new ATOM 0 HA LEU A 8 8.579 -5.419 -18.783 1.00 24.41 H new ATOM 0 HB2 LEU A 8 5.932 -6.866 -18.602 1.00 22.04 H new ATOM 0 HB3 LEU A 8 7.541 -7.552 -18.712 1.00 22.04 H new ATOM 0 HG LEU A 8 7.772 -6.231 -16.356 1.00 32.13 H new ATOM 0 HD11 LEU A 8 5.713 -6.613 -15.055 1.00 2.11 H new ATOM 0 HD12 LEU A 8 5.450 -5.457 -16.383 1.00 2.11 H new ATOM 0 HD13 LEU A 8 4.879 -7.135 -16.538 1.00 2.11 H new ATOM 0 HD21 LEU A 8 7.383 -8.415 -15.280 1.00 45.43 H new ATOM 0 HD22 LEU A 8 6.614 -9.007 -16.771 1.00 45.43 H new ATOM 0 HD23 LEU A 8 8.340 -8.575 -16.772 1.00 45.43 H new ATOM 118 N GLU A 9 8.029 -4.965 -21.146 1.00 31.24 N ATOM 119 CA GLU A 9 7.752 -4.787 -22.566 1.00 53.10 C ATOM 120 C GLU A 9 7.627 -6.135 -23.270 1.00 22.35 C ATOM 121 O GLU A 9 7.608 -7.184 -22.626 1.00 14.24 O ATOM 122 CB GLU A 9 8.856 -3.956 -23.224 1.00 32.35 C ATOM 123 CG GLU A 9 8.929 -2.528 -22.711 1.00 44.45 C ATOM 124 CD GLU A 9 8.344 -1.527 -23.689 1.00 2.33 C ATOM 125 OE1 GLU A 9 7.496 -1.929 -24.513 1.00 24.31 O ATOM 126 OE2 GLU A 9 8.734 -0.342 -23.630 1.00 14.21 O ATOM 0 H GLU A 9 9.009 -4.849 -20.889 1.00 31.24 H new ATOM 0 HA GLU A 9 6.804 -4.258 -22.661 1.00 53.10 H new ATOM 0 HB2 GLU A 9 9.816 -4.444 -23.055 1.00 32.35 H new ATOM 0 HB3 GLU A 9 8.693 -3.938 -24.302 1.00 32.35 H new ATOM 0 HG2 GLU A 9 8.396 -2.459 -21.763 1.00 44.45 H new ATOM 0 HG3 GLU A 9 9.969 -2.270 -22.511 1.00 44.45 H new ATOM 133 N ALA A 10 7.543 -6.099 -24.595 1.00 52.24 N ATOM 134 CA ALA A 10 7.422 -7.317 -25.387 1.00 13.31 C ATOM 135 C ALA A 10 8.433 -7.333 -26.528 1.00 50.42 C ATOM 136 O ALA A 10 8.101 -7.008 -27.669 1.00 11.14 O ATOM 137 CB ALA A 10 6.007 -7.454 -25.931 1.00 23.34 C ATOM 0 H ALA A 10 7.556 -5.239 -25.143 1.00 52.24 H new ATOM 0 HA ALA A 10 7.634 -8.166 -24.737 1.00 13.31 H new ATOM 0 HB1 ALA A 10 5.931 -8.368 -26.520 1.00 23.34 H new ATOM 0 HB2 ALA A 10 5.301 -7.497 -25.102 1.00 23.34 H new ATOM 0 HB3 ALA A 10 5.775 -6.595 -26.561 1.00 23.34 H new ATOM 143 N ILE A 11 9.667 -7.711 -26.214 1.00 21.14 N ATOM 144 CA ILE A 11 10.726 -7.769 -27.214 1.00 21.25 C ATOM 145 C ILE A 11 10.526 -8.949 -28.158 1.00 70.42 C ATOM 146 O ILE A 11 9.649 -9.788 -27.945 1.00 4.40 O ATOM 147 CB ILE A 11 12.115 -7.881 -26.557 1.00 73.40 C ATOM 148 CG1 ILE A 11 12.239 -6.885 -25.402 1.00 60.14 C ATOM 149 CG2 ILE A 11 13.209 -7.645 -27.588 1.00 35.13 C ATOM 150 CD1 ILE A 11 12.679 -5.505 -25.839 1.00 73.45 C ATOM 0 H ILE A 11 9.958 -7.982 -25.275 1.00 21.14 H new ATOM 0 HA ILE A 11 10.675 -6.840 -27.782 1.00 21.25 H new ATOM 0 HB ILE A 11 12.231 -8.888 -26.157 1.00 73.40 H new ATOM 0 HG12 ILE A 11 11.277 -6.807 -24.895 1.00 60.14 H new ATOM 0 HG13 ILE A 11 12.953 -7.272 -24.674 1.00 60.14 H new ATOM 0 HG21 ILE A 11 14.185 -7.727 -27.109 1.00 35.13 H new ATOM 0 HG22 ILE A 11 13.130 -8.390 -28.380 1.00 35.13 H new ATOM 0 HG23 ILE A 11 13.098 -6.648 -28.015 1.00 35.13 H new ATOM 0 HD11 ILE A 11 12.745 -4.852 -24.969 1.00 73.45 H new ATOM 0 HD12 ILE A 11 13.655 -5.570 -26.320 1.00 73.45 H new ATOM 0 HD13 ILE A 11 11.954 -5.098 -26.544 1.00 73.45 H new ATOM 162 N HIS A 12 11.346 -9.010 -29.203 1.00 12.22 N ATOM 163 CA HIS A 12 11.261 -10.089 -30.180 1.00 32.40 C ATOM 164 C HIS A 12 11.347 -11.450 -29.495 1.00 61.11 C ATOM 165 O HIS A 12 11.615 -11.554 -28.298 1.00 1.31 O ATOM 166 CB HIS A 12 12.376 -9.956 -31.217 1.00 41.13 C ATOM 167 CG HIS A 12 11.885 -9.568 -32.578 1.00 61.41 C ATOM 168 ND1 HIS A 12 12.428 -10.066 -33.744 1.00 3.50 N ATOM 169 CD2 HIS A 12 10.894 -8.728 -32.955 1.00 54.34 C ATOM 170 CE1 HIS A 12 11.794 -9.546 -34.779 1.00 55.05 C ATOM 171 NE2 HIS A 12 10.857 -8.731 -34.328 1.00 61.11 N ATOM 0 H HIS A 12 12.077 -8.325 -29.394 1.00 12.22 H new ATOM 0 HA HIS A 12 10.297 -10.015 -30.683 1.00 32.40 H new ATOM 0 HB2 HIS A 12 13.094 -9.212 -30.873 1.00 41.13 H new ATOM 0 HB3 HIS A 12 12.909 -10.904 -31.289 1.00 41.13 H new ATOM 0 HD2 HIS A 12 10.251 -8.160 -32.298 1.00 54.34 H new ATOM 0 HE1 HIS A 12 12.005 -9.752 -35.818 1.00 55.05 H new ATOM 0 HE2 HIS A 12 10.211 -8.192 -34.905 1.00 61.11 H new ATOM 179 N PRO A 13 11.114 -12.519 -30.271 1.00 21.44 N ATOM 180 CA PRO A 13 11.160 -13.893 -29.760 1.00 13.32 C ATOM 181 C PRO A 13 12.576 -14.334 -29.408 1.00 44.24 C ATOM 182 O PRO A 13 12.862 -15.528 -29.317 1.00 74.03 O ATOM 183 CB PRO A 13 10.615 -14.723 -30.925 1.00 13.32 C ATOM 184 CG PRO A 13 10.900 -13.906 -32.138 1.00 22.22 C ATOM 185 CD PRO A 13 10.789 -12.470 -31.706 1.00 31.21 C ATOM 0 HA PRO A 13 10.591 -14.004 -28.837 1.00 13.32 H new ATOM 0 HB2 PRO A 13 11.102 -15.696 -30.980 1.00 13.32 H new ATOM 0 HB3 PRO A 13 9.546 -14.907 -30.814 1.00 13.32 H new ATOM 0 HG2 PRO A 13 11.895 -14.120 -32.528 1.00 22.22 H new ATOM 0 HG3 PRO A 13 10.191 -14.130 -32.935 1.00 22.22 H new ATOM 0 HD2 PRO A 13 11.482 -11.831 -32.253 1.00 31.21 H new ATOM 0 HD3 PRO A 13 9.788 -12.075 -31.878 1.00 31.21 H new ATOM 193 N LYS A 14 13.462 -13.363 -29.211 1.00 54.32 N ATOM 194 CA LYS A 14 14.849 -13.650 -28.868 1.00 3.13 C ATOM 195 C LYS A 14 15.248 -12.941 -27.578 1.00 4.43 C ATOM 196 O LYS A 14 16.432 -12.747 -27.305 1.00 43.22 O ATOM 197 CB LYS A 14 15.777 -13.221 -30.006 1.00 44.23 C ATOM 198 CG LYS A 14 15.870 -11.715 -30.180 1.00 45.24 C ATOM 199 CD LYS A 14 16.589 -11.345 -31.467 1.00 72.54 C ATOM 200 CE LYS A 14 18.049 -11.003 -31.213 1.00 33.35 C ATOM 201 NZ LYS A 14 18.635 -10.209 -32.327 1.00 61.04 N ATOM 0 H LYS A 14 13.243 -12.369 -29.283 1.00 54.32 H new ATOM 0 HA LYS A 14 14.944 -14.725 -28.716 1.00 3.13 H new ATOM 0 HB2 LYS A 14 16.774 -13.619 -29.820 1.00 44.23 H new ATOM 0 HB3 LYS A 14 15.425 -13.665 -30.937 1.00 44.23 H new ATOM 0 HG2 LYS A 14 14.868 -11.286 -30.186 1.00 45.24 H new ATOM 0 HG3 LYS A 14 16.397 -11.282 -29.330 1.00 45.24 H new ATOM 0 HD2 LYS A 14 16.526 -12.175 -32.171 1.00 72.54 H new ATOM 0 HD3 LYS A 14 16.091 -10.494 -31.931 1.00 72.54 H new ATOM 0 HE2 LYS A 14 18.134 -10.441 -30.283 1.00 33.35 H new ATOM 0 HE3 LYS A 14 18.620 -11.922 -31.083 1.00 33.35 H new ATOM 0 HZ1 LYS A 14 19.631 -9.996 -32.115 1.00 61.04 H new ATOM 0 HZ2 LYS A 14 18.578 -10.755 -33.210 1.00 61.04 H new ATOM 0 HZ3 LYS A 14 18.107 -9.320 -32.435 1.00 61.04 H new ATOM 215 N GLY A 15 14.252 -12.556 -26.786 1.00 33.52 N ATOM 216 CA GLY A 15 14.520 -11.874 -25.533 1.00 60.33 C ATOM 217 C GLY A 15 13.349 -11.031 -25.070 1.00 32.01 C ATOM 218 O GLY A 15 12.295 -11.014 -25.708 1.00 23.00 O ATOM 0 H GLY A 15 13.264 -12.704 -26.990 1.00 33.52 H new ATOM 0 HA2 GLY A 15 14.759 -12.611 -24.766 1.00 60.33 H new ATOM 0 HA3 GLY A 15 15.398 -11.238 -25.649 1.00 60.33 H new ATOM 222 N LEU A 16 13.530 -10.330 -23.956 1.00 25.50 N ATOM 223 CA LEU A 16 12.479 -9.482 -23.406 1.00 2.31 C ATOM 224 C LEU A 16 13.075 -8.306 -22.638 1.00 33.12 C ATOM 225 O LEU A 16 14.275 -8.272 -22.368 1.00 65.33 O ATOM 226 CB LEU A 16 11.567 -10.296 -22.487 1.00 61.51 C ATOM 227 CG LEU A 16 10.286 -9.601 -22.025 1.00 72.54 C ATOM 228 CD1 LEU A 16 9.515 -9.056 -23.218 1.00 32.44 C ATOM 229 CD2 LEU A 16 9.420 -10.560 -21.221 1.00 13.43 C ATOM 0 H LEU A 16 14.395 -10.332 -23.416 1.00 25.50 H new ATOM 0 HA LEU A 16 11.891 -9.090 -24.236 1.00 2.31 H new ATOM 0 HB2 LEU A 16 11.292 -11.215 -23.004 1.00 61.51 H new ATOM 0 HB3 LEU A 16 12.138 -10.585 -21.605 1.00 61.51 H new ATOM 0 HG LEU A 16 10.560 -8.764 -21.382 1.00 72.54 H new ATOM 0 HD11 LEU A 16 8.606 -8.565 -22.870 1.00 32.44 H new ATOM 0 HD12 LEU A 16 10.134 -8.336 -23.754 1.00 32.44 H new ATOM 0 HD13 LEU A 16 9.251 -9.876 -23.886 1.00 32.44 H new ATOM 0 HD21 LEU A 16 8.512 -10.049 -20.900 1.00 13.43 H new ATOM 0 HD22 LEU A 16 9.154 -11.417 -21.840 1.00 13.43 H new ATOM 0 HD23 LEU A 16 9.972 -10.902 -20.346 1.00 13.43 H new ATOM 241 N ARG A 17 12.227 -7.345 -22.286 1.00 73.04 N ATOM 242 CA ARG A 17 12.669 -6.168 -21.548 1.00 71.22 C ATOM 243 C ARG A 17 11.738 -5.882 -20.373 1.00 65.21 C ATOM 244 O ARG A 17 10.519 -6.002 -20.490 1.00 32.33 O ATOM 245 CB ARG A 17 12.728 -4.952 -22.474 1.00 12.43 C ATOM 246 CG ARG A 17 13.114 -3.664 -21.764 1.00 21.42 C ATOM 247 CD ARG A 17 12.822 -2.445 -22.624 1.00 2.32 C ATOM 248 NE ARG A 17 13.969 -1.544 -22.703 1.00 12.41 N ATOM 249 CZ ARG A 17 14.000 -0.459 -23.470 1.00 30.51 C ATOM 250 NH1 ARG A 17 12.953 -0.143 -24.219 1.00 70.34 N ATOM 251 NH2 ARG A 17 15.080 0.311 -23.488 1.00 0.21 N ATOM 0 H ARG A 17 11.230 -7.359 -22.500 1.00 73.04 H new ATOM 0 HA ARG A 17 13.667 -6.368 -21.158 1.00 71.22 H new ATOM 0 HB2 ARG A 17 13.446 -5.147 -23.271 1.00 12.43 H new ATOM 0 HB3 ARG A 17 11.755 -4.819 -22.947 1.00 12.43 H new ATOM 0 HG2 ARG A 17 12.567 -3.587 -20.824 1.00 21.42 H new ATOM 0 HG3 ARG A 17 14.175 -3.689 -21.514 1.00 21.42 H new ATOM 0 HD2 ARG A 17 12.544 -2.767 -23.628 1.00 2.32 H new ATOM 0 HD3 ARG A 17 11.967 -1.908 -22.214 1.00 2.32 H new ATOM 0 HE ARG A 17 14.791 -1.759 -22.139 1.00 12.41 H new ATOM 0 HH11 ARG A 17 12.121 -0.733 -24.208 1.00 70.34 H new ATOM 0 HH12 ARG A 17 12.979 0.690 -24.807 1.00 70.34 H new ATOM 0 HH21 ARG A 17 15.887 0.071 -22.913 1.00 0.21 H new ATOM 0 HH22 ARG A 17 15.103 1.144 -24.077 1.00 0.21 H new ATOM 265 N VAL A 18 12.323 -5.504 -19.241 1.00 12.43 N ATOM 266 CA VAL A 18 11.547 -5.200 -18.044 1.00 52.13 C ATOM 267 C VAL A 18 12.221 -4.114 -17.213 1.00 32.20 C ATOM 268 O VAL A 18 13.252 -4.350 -16.583 1.00 73.42 O ATOM 269 CB VAL A 18 11.350 -6.453 -17.170 1.00 51.40 C ATOM 270 CG1 VAL A 18 10.712 -6.081 -15.840 1.00 42.10 C ATOM 271 CG2 VAL A 18 10.509 -7.487 -17.903 1.00 40.23 C ATOM 0 H VAL A 18 13.331 -5.401 -19.127 1.00 12.43 H new ATOM 0 HA VAL A 18 10.573 -4.844 -18.380 1.00 52.13 H new ATOM 0 HB VAL A 18 12.327 -6.891 -16.967 1.00 51.40 H new ATOM 0 HG11 VAL A 18 10.580 -6.979 -15.236 1.00 42.10 H new ATOM 0 HG12 VAL A 18 11.356 -5.379 -15.311 1.00 42.10 H new ATOM 0 HG13 VAL A 18 9.741 -5.619 -16.019 1.00 42.10 H new ATOM 0 HG21 VAL A 18 10.380 -8.365 -17.271 1.00 40.23 H new ATOM 0 HG22 VAL A 18 9.533 -7.062 -18.137 1.00 40.23 H new ATOM 0 HG23 VAL A 18 11.011 -7.775 -18.827 1.00 40.23 H new ATOM 281 N SER A 19 11.631 -2.923 -17.215 1.00 60.03 N ATOM 282 CA SER A 19 12.176 -1.799 -16.464 1.00 2.33 C ATOM 283 C SER A 19 11.177 -1.307 -15.421 1.00 1.12 C ATOM 284 O SER A 19 9.973 -1.531 -15.544 1.00 11.14 O ATOM 285 CB SER A 19 12.546 -0.656 -17.411 1.00 52.22 C ATOM 286 OG SER A 19 12.782 0.544 -16.695 1.00 53.22 O ATOM 0 H SER A 19 10.775 -2.712 -17.729 1.00 60.03 H new ATOM 0 HA SER A 19 13.074 -2.140 -15.949 1.00 2.33 H new ATOM 0 HB2 SER A 19 13.436 -0.925 -17.980 1.00 52.22 H new ATOM 0 HB3 SER A 19 11.742 -0.501 -18.131 1.00 52.22 H new ATOM 0 HG SER A 19 12.548 1.312 -17.257 1.00 53.22 H new ATOM 292 N VAL A 20 11.686 -0.635 -14.393 1.00 45.33 N ATOM 293 CA VAL A 20 10.840 -0.109 -13.328 1.00 63.44 C ATOM 294 C VAL A 20 11.327 1.258 -12.864 1.00 4.44 C ATOM 295 O VAL A 20 12.513 1.581 -12.939 1.00 41.30 O ATOM 296 CB VAL A 20 10.799 -1.065 -12.121 1.00 63.02 C ATOM 297 CG1 VAL A 20 10.318 -2.444 -12.547 1.00 42.43 C ATOM 298 CG2 VAL A 20 12.168 -1.149 -11.462 1.00 13.00 C ATOM 0 H VAL A 20 12.681 -0.442 -14.275 1.00 45.33 H new ATOM 0 HA VAL A 20 9.835 -0.012 -13.740 1.00 63.44 H new ATOM 0 HB VAL A 20 10.093 -0.670 -11.391 1.00 63.02 H new ATOM 0 HG11 VAL A 20 10.296 -3.105 -11.681 1.00 42.43 H new ATOM 0 HG12 VAL A 20 9.316 -2.365 -12.969 1.00 42.43 H new ATOM 0 HG13 VAL A 20 10.997 -2.851 -13.297 1.00 42.43 H new ATOM 0 HG21 VAL A 20 12.121 -1.829 -10.611 1.00 13.00 H new ATOM 0 HG22 VAL A 20 12.897 -1.520 -12.183 1.00 13.00 H new ATOM 0 HG23 VAL A 20 12.468 -0.159 -11.119 1.00 13.00 H new ATOM 308 N PRO A 21 10.392 2.083 -12.370 1.00 51.43 N ATOM 309 CA PRO A 21 10.702 3.430 -11.882 1.00 42.30 C ATOM 310 C PRO A 21 11.505 3.406 -10.586 1.00 13.43 C ATOM 311 O PRO A 21 11.068 2.838 -9.585 1.00 1.24 O ATOM 312 CB PRO A 21 9.322 4.048 -11.645 1.00 40.42 C ATOM 313 CG PRO A 21 8.422 2.886 -11.404 1.00 65.44 C ATOM 314 CD PRO A 21 8.959 1.764 -12.251 1.00 3.54 C ATOM 0 HA PRO A 21 11.318 3.988 -12.588 1.00 42.30 H new ATOM 0 HB2 PRO A 21 9.333 4.724 -10.790 1.00 40.42 H new ATOM 0 HB3 PRO A 21 8.995 4.629 -12.507 1.00 40.42 H new ATOM 0 HG2 PRO A 21 8.415 2.610 -10.350 1.00 65.44 H new ATOM 0 HG3 PRO A 21 7.394 3.125 -11.678 1.00 65.44 H new ATOM 0 HD2 PRO A 21 8.801 0.794 -11.780 1.00 3.54 H new ATOM 0 HD3 PRO A 21 8.473 1.728 -13.226 1.00 3.54 H new ATOM 322 N ASP A 22 12.679 4.027 -10.611 1.00 22.30 N ATOM 323 CA ASP A 22 13.542 4.078 -9.437 1.00 23.14 C ATOM 324 C ASP A 22 13.144 5.230 -8.520 1.00 3.15 C ATOM 325 O ASP A 22 13.695 6.327 -8.611 1.00 70.30 O ATOM 326 CB ASP A 22 15.005 4.227 -9.858 1.00 51.14 C ATOM 327 CG ASP A 22 15.947 4.279 -8.672 1.00 22.41 C ATOM 328 OD1 ASP A 22 15.616 3.683 -7.626 1.00 0.25 O ATOM 329 OD2 ASP A 22 17.016 4.915 -8.789 1.00 75.04 O ATOM 0 H ASP A 22 13.055 4.502 -11.432 1.00 22.30 H new ATOM 0 HA ASP A 22 13.424 3.143 -8.889 1.00 23.14 H new ATOM 0 HB2 ASP A 22 15.282 3.392 -10.501 1.00 51.14 H new ATOM 0 HB3 ASP A 22 15.119 5.136 -10.449 1.00 51.14 H new ATOM 334 N GLU A 23 12.184 4.973 -7.637 1.00 72.02 N ATOM 335 CA GLU A 23 11.711 5.990 -6.705 1.00 44.01 C ATOM 336 C GLU A 23 12.744 6.247 -5.611 1.00 53.12 C ATOM 337 O GLU A 23 12.513 7.040 -4.699 1.00 23.41 O ATOM 338 CB GLU A 23 10.383 5.561 -6.078 1.00 3.22 C ATOM 339 CG GLU A 23 9.530 6.726 -5.604 1.00 74.45 C ATOM 340 CD GLU A 23 8.046 6.415 -5.644 1.00 51.21 C ATOM 341 OE1 GLU A 23 7.509 6.231 -6.756 1.00 55.24 O ATOM 342 OE2 GLU A 23 7.422 6.357 -4.564 1.00 23.41 O ATOM 0 H GLU A 23 11.719 4.070 -7.548 1.00 72.02 H new ATOM 0 HA GLU A 23 11.559 6.915 -7.262 1.00 44.01 H new ATOM 0 HB2 GLU A 23 9.817 4.980 -6.807 1.00 3.22 H new ATOM 0 HB3 GLU A 23 10.585 4.902 -5.233 1.00 3.22 H new ATOM 0 HG2 GLU A 23 9.815 6.990 -4.586 1.00 74.45 H new ATOM 0 HG3 GLU A 23 9.732 7.597 -6.227 1.00 74.45 H new ATOM 349 N GLY A 24 13.884 5.570 -5.710 1.00 74.31 N ATOM 350 CA GLY A 24 14.934 5.737 -4.723 1.00 42.31 C ATOM 351 C GLY A 24 15.465 4.413 -4.211 1.00 44.11 C ATOM 352 O GLY A 24 16.003 4.337 -3.106 1.00 13.00 O ATOM 0 H GLY A 24 14.099 4.909 -6.456 1.00 74.31 H new ATOM 0 HA2 GLY A 24 15.753 6.308 -5.161 1.00 42.31 H new ATOM 0 HA3 GLY A 24 14.551 6.320 -3.885 1.00 42.31 H new ATOM 356 N PHE A 25 15.314 3.366 -5.015 1.00 71.01 N ATOM 357 CA PHE A 25 15.780 2.037 -4.636 1.00 1.30 C ATOM 358 C PHE A 25 17.305 1.974 -4.640 1.00 74.05 C ATOM 359 O PHE A 25 17.973 2.881 -5.136 1.00 52.13 O ATOM 360 CB PHE A 25 15.212 0.983 -5.588 1.00 52.24 C ATOM 361 CG PHE A 25 13.720 0.832 -5.495 1.00 4.34 C ATOM 362 CD1 PHE A 25 13.142 0.197 -4.408 1.00 21.14 C ATOM 363 CD2 PHE A 25 12.897 1.325 -6.494 1.00 13.42 C ATOM 364 CE1 PHE A 25 11.770 0.057 -4.318 1.00 31.31 C ATOM 365 CE2 PHE A 25 11.524 1.188 -6.409 1.00 40.53 C ATOM 366 CZ PHE A 25 10.960 0.552 -5.321 1.00 10.32 C ATOM 0 H PHE A 25 14.872 3.412 -5.933 1.00 71.01 H new ATOM 0 HA PHE A 25 15.428 1.830 -3.625 1.00 1.30 H new ATOM 0 HB2 PHE A 25 15.479 1.248 -6.611 1.00 52.24 H new ATOM 0 HB3 PHE A 25 15.680 0.022 -5.374 1.00 52.24 H new ATOM 0 HD1 PHE A 25 13.771 -0.193 -3.622 1.00 21.14 H new ATOM 0 HD2 PHE A 25 13.333 1.822 -7.348 1.00 13.42 H new ATOM 0 HE1 PHE A 25 11.332 -0.439 -3.464 1.00 31.31 H new ATOM 0 HE2 PHE A 25 10.893 1.578 -7.193 1.00 40.53 H new ATOM 0 HZ PHE A 25 9.888 0.442 -5.254 1.00 10.32 H new ATOM 376 N SER A 26 17.848 0.896 -4.084 1.00 11.12 N ATOM 377 CA SER A 26 19.293 0.715 -4.019 1.00 44.32 C ATOM 378 C SER A 26 19.703 -0.617 -4.640 1.00 54.32 C ATOM 379 O SER A 26 20.874 -0.836 -4.952 1.00 30.21 O ATOM 380 CB SER A 26 19.773 0.783 -2.568 1.00 34.02 C ATOM 381 OG SER A 26 21.109 0.325 -2.450 1.00 54.31 O ATOM 0 H SER A 26 17.309 0.135 -3.672 1.00 11.12 H new ATOM 0 HA SER A 26 19.760 1.520 -4.587 1.00 44.32 H new ATOM 0 HB2 SER A 26 19.704 1.809 -2.207 1.00 34.02 H new ATOM 0 HB3 SER A 26 19.121 0.178 -1.937 1.00 34.02 H new ATOM 0 HG SER A 26 21.392 0.380 -1.513 1.00 54.31 H new ATOM 387 N LEU A 27 18.729 -1.503 -4.817 1.00 63.34 N ATOM 388 CA LEU A 27 18.986 -2.815 -5.401 1.00 64.24 C ATOM 389 C LEU A 27 17.708 -3.414 -5.980 1.00 42.40 C ATOM 390 O LEU A 27 16.633 -3.295 -5.392 1.00 40.41 O ATOM 391 CB LEU A 27 19.573 -3.758 -4.349 1.00 43.41 C ATOM 392 CG LEU A 27 19.227 -5.239 -4.506 1.00 53.53 C ATOM 393 CD1 LEU A 27 17.756 -5.478 -4.201 1.00 2.11 C ATOM 394 CD2 LEU A 27 19.567 -5.720 -5.909 1.00 42.02 C ATOM 0 H LEU A 27 17.755 -1.337 -4.565 1.00 63.34 H new ATOM 0 HA LEU A 27 19.706 -2.690 -6.210 1.00 64.24 H new ATOM 0 HB2 LEU A 27 20.658 -3.656 -4.364 1.00 43.41 H new ATOM 0 HB3 LEU A 27 19.235 -3.429 -3.366 1.00 43.41 H new ATOM 0 HG LEU A 27 19.823 -5.809 -3.793 1.00 53.53 H new ATOM 0 HD11 LEU A 27 17.528 -6.537 -4.318 1.00 2.11 H new ATOM 0 HD12 LEU A 27 17.542 -5.171 -3.177 1.00 2.11 H new ATOM 0 HD13 LEU A 27 17.143 -4.897 -4.889 1.00 2.11 H new ATOM 0 HD21 LEU A 27 19.314 -6.776 -6.003 1.00 42.02 H new ATOM 0 HD22 LEU A 27 18.998 -5.144 -6.639 1.00 42.02 H new ATOM 0 HD23 LEU A 27 20.633 -5.584 -6.092 1.00 42.02 H new ATOM 406 N PHE A 28 17.833 -4.059 -7.135 1.00 2.10 N ATOM 407 CA PHE A 28 16.688 -4.678 -7.793 1.00 3.51 C ATOM 408 C PHE A 28 17.020 -6.098 -8.240 1.00 30.32 C ATOM 409 O PHE A 28 18.174 -6.417 -8.524 1.00 30.51 O ATOM 410 CB PHE A 28 16.252 -3.841 -8.997 1.00 52.23 C ATOM 411 CG PHE A 28 14.911 -4.236 -9.547 1.00 42.34 C ATOM 412 CD1 PHE A 28 13.852 -4.511 -8.697 1.00 44.21 C ATOM 413 CD2 PHE A 28 14.710 -4.332 -10.915 1.00 31.51 C ATOM 414 CE1 PHE A 28 12.617 -4.874 -9.200 1.00 62.21 C ATOM 415 CE2 PHE A 28 13.477 -4.695 -11.424 1.00 0.14 C ATOM 416 CZ PHE A 28 12.430 -4.967 -10.565 1.00 72.32 C ATOM 0 H PHE A 28 18.716 -4.167 -7.635 1.00 2.10 H new ATOM 0 HA PHE A 28 15.869 -4.724 -7.075 1.00 3.51 H new ATOM 0 HB2 PHE A 28 16.222 -2.791 -8.708 1.00 52.23 H new ATOM 0 HB3 PHE A 28 17.000 -3.934 -9.784 1.00 52.23 H new ATOM 0 HD1 PHE A 28 13.993 -4.441 -7.629 1.00 44.21 H new ATOM 0 HD2 PHE A 28 15.526 -4.121 -11.591 1.00 31.51 H new ATOM 0 HE1 PHE A 28 11.799 -5.085 -8.527 1.00 62.21 H new ATOM 0 HE2 PHE A 28 13.333 -4.766 -12.492 1.00 0.14 H new ATOM 0 HZ PHE A 28 11.466 -5.252 -10.960 1.00 72.32 H new ATOM 426 N ALA A 29 15.999 -6.947 -8.299 1.00 21.23 N ATOM 427 CA ALA A 29 16.181 -8.333 -8.712 1.00 31.11 C ATOM 428 C ALA A 29 15.050 -8.785 -9.629 1.00 71.34 C ATOM 429 O ALA A 29 13.948 -8.237 -9.590 1.00 22.01 O ATOM 430 CB ALA A 29 16.269 -9.240 -7.493 1.00 42.13 C ATOM 0 H ALA A 29 15.037 -6.699 -8.066 1.00 21.23 H new ATOM 0 HA ALA A 29 17.115 -8.400 -9.270 1.00 31.11 H new ATOM 0 HB1 ALA A 29 16.405 -10.272 -7.816 1.00 42.13 H new ATOM 0 HB2 ALA A 29 17.115 -8.939 -6.876 1.00 42.13 H new ATOM 0 HB3 ALA A 29 15.350 -9.160 -6.913 1.00 42.13 H new ATOM 436 N PHE A 30 15.329 -9.788 -10.455 1.00 44.05 N ATOM 437 CA PHE A 30 14.335 -10.313 -11.385 1.00 5.34 C ATOM 438 C PHE A 30 14.226 -11.830 -11.264 1.00 42.04 C ATOM 439 O PHE A 30 15.233 -12.539 -11.272 1.00 2.23 O ATOM 440 CB PHE A 30 14.696 -9.928 -12.821 1.00 60.30 C ATOM 441 CG PHE A 30 14.904 -8.453 -13.013 1.00 33.14 C ATOM 442 CD1 PHE A 30 15.916 -7.789 -12.339 1.00 64.41 C ATOM 443 CD2 PHE A 30 14.086 -7.730 -13.866 1.00 13.02 C ATOM 444 CE1 PHE A 30 16.110 -6.432 -12.513 1.00 45.04 C ATOM 445 CE2 PHE A 30 14.275 -6.373 -14.044 1.00 43.34 C ATOM 446 CZ PHE A 30 15.288 -5.723 -13.366 1.00 40.45 C ATOM 0 H PHE A 30 16.235 -10.254 -10.500 1.00 44.05 H new ATOM 0 HA PHE A 30 13.369 -9.876 -11.132 1.00 5.34 H new ATOM 0 HB2 PHE A 30 15.604 -10.456 -13.113 1.00 60.30 H new ATOM 0 HB3 PHE A 30 13.903 -10.265 -13.489 1.00 60.30 H new ATOM 0 HD1 PHE A 30 16.561 -8.339 -11.670 1.00 64.41 H new ATOM 0 HD2 PHE A 30 13.292 -8.233 -14.398 1.00 13.02 H new ATOM 0 HE1 PHE A 30 16.904 -5.927 -11.982 1.00 45.04 H new ATOM 0 HE2 PHE A 30 13.631 -5.821 -14.713 1.00 43.34 H new ATOM 0 HZ PHE A 30 15.437 -4.662 -13.503 1.00 40.45 H new ATOM 456 N HIS A 31 12.996 -12.322 -11.153 1.00 43.23 N ATOM 457 CA HIS A 31 12.754 -13.755 -11.031 1.00 41.03 C ATOM 458 C HIS A 31 11.334 -14.105 -11.464 1.00 54.34 C ATOM 459 O HIS A 31 10.427 -14.196 -10.638 1.00 71.40 O ATOM 460 CB HIS A 31 12.988 -14.212 -9.591 1.00 71.43 C ATOM 461 CG HIS A 31 14.382 -14.697 -9.336 1.00 11.14 C ATOM 462 ND1 HIS A 31 14.932 -15.782 -9.984 1.00 63.21 N ATOM 463 CD2 HIS A 31 15.339 -14.236 -8.497 1.00 64.21 C ATOM 464 CE1 HIS A 31 16.167 -15.969 -9.554 1.00 64.24 C ATOM 465 NE2 HIS A 31 16.439 -15.044 -8.652 1.00 1.12 N ATOM 0 H HIS A 31 12.152 -11.750 -11.145 1.00 43.23 H new ATOM 0 HA HIS A 31 13.453 -14.274 -11.687 1.00 41.03 H new ATOM 0 HB2 HIS A 31 12.771 -13.384 -8.916 1.00 71.43 H new ATOM 0 HB3 HIS A 31 12.285 -15.010 -9.353 1.00 71.43 H new ATOM 0 HD1 HIS A 31 14.459 -16.352 -10.686 1.00 63.21 H new ATOM 0 HD2 HIS A 31 15.254 -13.391 -7.830 1.00 64.21 H new ATOM 0 HE1 HIS A 31 16.840 -16.747 -9.884 1.00 64.24 H new ATOM 473 N GLY A 32 11.148 -14.298 -12.767 1.00 35.33 N ATOM 474 CA GLY A 32 9.835 -14.635 -13.287 1.00 1.43 C ATOM 475 C GLY A 32 9.904 -15.594 -14.458 1.00 70.21 C ATOM 476 O GLY A 32 10.990 -15.969 -14.901 1.00 10.21 O ATOM 0 H GLY A 32 11.883 -14.227 -13.471 1.00 35.33 H new ATOM 0 HA2 GLY A 32 9.236 -15.079 -12.492 1.00 1.43 H new ATOM 0 HA3 GLY A 32 9.326 -13.723 -13.598 1.00 1.43 H new ATOM 480 N LYS A 33 8.742 -15.995 -14.961 1.00 75.24 N ATOM 481 CA LYS A 33 8.673 -16.918 -16.088 1.00 53.35 C ATOM 482 C LYS A 33 7.627 -16.463 -17.101 1.00 14.31 C ATOM 483 O LYS A 33 7.151 -15.327 -17.050 1.00 61.51 O ATOM 484 CB LYS A 33 8.344 -18.330 -15.599 1.00 13.21 C ATOM 485 CG LYS A 33 9.039 -18.701 -14.300 1.00 54.32 C ATOM 486 CD LYS A 33 8.088 -19.391 -13.336 1.00 50.53 C ATOM 487 CE LYS A 33 7.917 -20.862 -13.680 1.00 31.42 C ATOM 488 NZ LYS A 33 8.758 -21.735 -12.815 1.00 65.21 N ATOM 0 H LYS A 33 7.834 -15.695 -14.606 1.00 75.24 H new ATOM 0 HA LYS A 33 9.647 -16.927 -16.577 1.00 53.35 H new ATOM 0 HB2 LYS A 33 7.266 -18.416 -15.462 1.00 13.21 H new ATOM 0 HB3 LYS A 33 8.626 -19.047 -16.370 1.00 13.21 H new ATOM 0 HG2 LYS A 33 9.883 -19.357 -14.512 1.00 54.32 H new ATOM 0 HG3 LYS A 33 9.443 -17.803 -13.833 1.00 54.32 H new ATOM 0 HD2 LYS A 33 8.467 -19.296 -12.318 1.00 50.53 H new ATOM 0 HD3 LYS A 33 7.118 -18.895 -13.362 1.00 50.53 H new ATOM 0 HE2 LYS A 33 6.869 -21.142 -13.569 1.00 31.42 H new ATOM 0 HE3 LYS A 33 8.181 -21.024 -14.725 1.00 31.42 H new ATOM 0 HZ1 LYS A 33 8.613 -22.730 -13.081 1.00 65.21 H new ATOM 0 HZ2 LYS A 33 9.760 -21.486 -12.940 1.00 65.21 H new ATOM 0 HZ3 LYS A 33 8.489 -21.600 -11.820 1.00 65.21 H new ATOM 502 N LEU A 34 7.271 -17.355 -18.019 1.00 0.22 N ATOM 503 CA LEU A 34 6.279 -17.045 -19.043 1.00 21.22 C ATOM 504 C LEU A 34 5.177 -18.100 -19.070 1.00 3.40 C ATOM 505 O LEU A 34 5.420 -19.272 -18.788 1.00 33.15 O ATOM 506 CB LEU A 34 6.947 -16.953 -20.416 1.00 73.20 C ATOM 507 CG LEU A 34 6.003 -16.869 -21.617 1.00 24.24 C ATOM 508 CD1 LEU A 34 5.456 -15.459 -21.768 1.00 13.55 C ATOM 509 CD2 LEU A 34 6.718 -17.305 -22.888 1.00 12.24 C ATOM 0 H LEU A 34 7.654 -18.299 -18.075 1.00 0.22 H new ATOM 0 HA LEU A 34 5.829 -16.082 -18.800 1.00 21.22 H new ATOM 0 HB2 LEU A 34 7.594 -16.076 -20.425 1.00 73.20 H new ATOM 0 HB3 LEU A 34 7.590 -17.824 -20.544 1.00 73.20 H new ATOM 0 HG LEU A 34 5.165 -17.545 -21.445 1.00 24.24 H new ATOM 0 HD11 LEU A 34 4.787 -15.419 -22.627 1.00 13.55 H new ATOM 0 HD12 LEU A 34 4.907 -15.183 -20.867 1.00 13.55 H new ATOM 0 HD13 LEU A 34 6.281 -14.763 -21.918 1.00 13.55 H new ATOM 0 HD21 LEU A 34 6.032 -17.239 -23.732 1.00 12.24 H new ATOM 0 HD22 LEU A 34 7.575 -16.655 -23.065 1.00 12.24 H new ATOM 0 HD23 LEU A 34 7.060 -18.334 -22.778 1.00 12.24 H new ATOM 521 N ASN A 35 3.966 -17.674 -19.414 1.00 2.30 N ATOM 522 CA ASN A 35 2.827 -18.582 -19.480 1.00 12.20 C ATOM 523 C ASN A 35 2.814 -19.526 -18.282 1.00 33.13 C ATOM 524 O ASN A 35 2.227 -20.606 -18.337 1.00 73.12 O ATOM 525 CB ASN A 35 2.866 -19.389 -20.779 1.00 50.12 C ATOM 526 CG ASN A 35 2.213 -18.656 -21.935 1.00 34.00 C ATOM 527 OD1 ASN A 35 2.567 -17.388 -22.108 1.00 10.31 O flip ATOM 528 ND2 ASN A 35 1.399 -19.224 -22.664 1.00 23.05 N flip ATOM 0 H ASN A 35 3.748 -16.706 -19.651 1.00 2.30 H new ATOM 0 HA ASN A 35 1.916 -17.984 -19.459 1.00 12.20 H new ATOM 0 HB2 ASN A 35 3.902 -19.613 -21.033 1.00 50.12 H new ATOM 0 HB3 ASN A 35 2.362 -20.343 -20.626 1.00 50.12 H new ATOM 0 HD21 ASN A 35 1.156 -20.200 -22.494 1.00 23.05 H new ATOM 0 HD22 ASN A 35 0.967 -18.718 -23.438 1.00 23.05 H new ATOM 535 N GLU A 36 3.465 -19.110 -17.200 1.00 13.11 N ATOM 536 CA GLU A 36 3.528 -19.919 -15.989 1.00 34.24 C ATOM 537 C GLU A 36 3.822 -19.051 -14.769 1.00 11.22 C ATOM 538 O GLU A 36 4.553 -18.065 -14.858 1.00 62.32 O ATOM 539 CB GLU A 36 4.599 -21.003 -16.127 1.00 42.55 C ATOM 540 CG GLU A 36 4.584 -22.022 -15.001 1.00 74.10 C ATOM 541 CD GLU A 36 4.019 -23.361 -15.434 1.00 63.31 C ATOM 542 OE1 GLU A 36 4.236 -23.746 -16.602 1.00 40.24 O ATOM 543 OE2 GLU A 36 3.361 -24.024 -14.606 1.00 22.44 O ATOM 0 H GLU A 36 3.956 -18.218 -17.138 1.00 13.11 H new ATOM 0 HA GLU A 36 2.557 -20.394 -15.850 1.00 34.24 H new ATOM 0 HB2 GLU A 36 4.459 -21.521 -17.076 1.00 42.55 H new ATOM 0 HB3 GLU A 36 5.580 -20.530 -16.164 1.00 42.55 H new ATOM 0 HG2 GLU A 36 5.599 -22.163 -14.630 1.00 74.10 H new ATOM 0 HG3 GLU A 36 3.993 -21.633 -14.172 1.00 74.10 H new ATOM 550 N GLU A 37 3.246 -19.425 -13.631 1.00 13.35 N ATOM 551 CA GLU A 37 3.445 -18.679 -12.393 1.00 61.23 C ATOM 552 C GLU A 37 3.960 -19.593 -11.285 1.00 13.35 C ATOM 553 O GLU A 37 3.666 -20.787 -11.264 1.00 35.41 O ATOM 554 CB GLU A 37 2.138 -18.015 -11.956 1.00 41.50 C ATOM 555 CG GLU A 37 1.146 -18.978 -11.326 1.00 5.02 C ATOM 556 CD GLU A 37 0.517 -18.424 -10.063 1.00 14.43 C ATOM 557 OE1 GLU A 37 1.202 -17.672 -9.338 1.00 55.01 O ATOM 558 OE2 GLU A 37 -0.662 -18.742 -9.799 1.00 51.24 O ATOM 0 H GLU A 37 2.638 -20.239 -13.540 1.00 13.35 H new ATOM 0 HA GLU A 37 4.191 -17.907 -12.580 1.00 61.23 H new ATOM 0 HB2 GLU A 37 2.364 -17.222 -11.243 1.00 41.50 H new ATOM 0 HB3 GLU A 37 1.673 -17.543 -12.822 1.00 41.50 H new ATOM 0 HG2 GLU A 37 0.362 -19.209 -12.047 1.00 5.02 H new ATOM 0 HG3 GLU A 37 1.652 -19.915 -11.094 1.00 5.02 H new ATOM 565 N MET A 38 4.730 -19.021 -10.365 1.00 2.11 N ATOM 566 CA MET A 38 5.286 -19.783 -9.253 1.00 34.24 C ATOM 567 C MET A 38 4.507 -19.517 -7.968 1.00 54.14 C ATOM 568 O MET A 38 3.469 -18.856 -7.988 1.00 32.12 O ATOM 569 CB MET A 38 6.761 -19.430 -9.051 1.00 35.33 C ATOM 570 CG MET A 38 7.002 -17.951 -8.798 1.00 23.14 C ATOM 571 SD MET A 38 8.752 -17.518 -8.831 1.00 42.42 S ATOM 572 CE MET A 38 8.742 -16.157 -9.996 1.00 33.01 C ATOM 0 H MET A 38 4.983 -18.033 -10.368 1.00 2.11 H new ATOM 0 HA MET A 38 5.203 -20.843 -9.495 1.00 34.24 H new ATOM 0 HB2 MET A 38 7.151 -20.003 -8.210 1.00 35.33 H new ATOM 0 HB3 MET A 38 7.324 -19.736 -9.933 1.00 35.33 H new ATOM 0 HG2 MET A 38 6.473 -17.366 -9.550 1.00 23.14 H new ATOM 0 HG3 MET A 38 6.582 -17.679 -7.830 1.00 23.14 H new ATOM 0 HE1 MET A 38 9.458 -16.356 -10.794 1.00 33.01 H new ATOM 0 HE2 MET A 38 7.744 -16.050 -10.422 1.00 33.01 H new ATOM 0 HE3 MET A 38 9.018 -15.236 -9.482 1.00 33.01 H new ATOM 582 N GLU A 39 5.014 -20.036 -6.855 1.00 24.11 N ATOM 583 CA GLU A 39 4.364 -19.854 -5.562 1.00 61.35 C ATOM 584 C GLU A 39 5.395 -19.604 -4.465 1.00 53.13 C ATOM 585 O GLU A 39 6.599 -19.709 -4.694 1.00 31.11 O ATOM 586 CB GLU A 39 3.520 -21.082 -5.214 1.00 62.20 C ATOM 587 CG GLU A 39 2.124 -20.741 -4.721 1.00 22.25 C ATOM 588 CD GLU A 39 1.046 -21.103 -5.724 1.00 22.24 C ATOM 589 OE1 GLU A 39 1.200 -20.754 -6.912 1.00 54.34 O ATOM 590 OE2 GLU A 39 0.049 -21.737 -5.319 1.00 12.21 O ATOM 0 H GLU A 39 5.873 -20.586 -6.822 1.00 24.11 H new ATOM 0 HA GLU A 39 3.713 -18.982 -5.630 1.00 61.35 H new ATOM 0 HB2 GLU A 39 3.440 -21.719 -6.095 1.00 62.20 H new ATOM 0 HB3 GLU A 39 4.035 -21.661 -4.448 1.00 62.20 H new ATOM 0 HG2 GLU A 39 1.935 -21.266 -3.785 1.00 22.25 H new ATOM 0 HG3 GLU A 39 2.070 -19.674 -4.504 1.00 22.25 H new ATOM 597 N GLY A 40 4.911 -19.271 -3.272 1.00 44.11 N ATOM 598 CA GLY A 40 5.803 -19.010 -2.157 1.00 51.32 C ATOM 599 C GLY A 40 6.932 -18.068 -2.526 1.00 12.41 C ATOM 600 O GLY A 40 8.062 -18.229 -2.063 1.00 34.04 O ATOM 0 H GLY A 40 3.918 -19.177 -3.058 1.00 44.11 H new ATOM 0 HA2 GLY A 40 5.233 -18.583 -1.332 1.00 51.32 H new ATOM 0 HA3 GLY A 40 6.221 -19.952 -1.802 1.00 51.32 H new ATOM 604 N LEU A 41 6.628 -17.082 -3.363 1.00 11.10 N ATOM 605 CA LEU A 41 7.626 -16.110 -3.796 1.00 25.44 C ATOM 606 C LEU A 41 8.996 -16.766 -3.942 1.00 1.43 C ATOM 607 O LEU A 41 9.823 -16.705 -3.033 1.00 5.40 O ATOM 608 CB LEU A 41 7.706 -14.953 -2.799 1.00 11.22 C ATOM 609 CG LEU A 41 6.427 -14.652 -2.016 1.00 23.31 C ATOM 610 CD1 LEU A 41 6.762 -14.149 -0.620 1.00 53.24 C ATOM 611 CD2 LEU A 41 5.572 -13.637 -2.760 1.00 62.35 C ATOM 0 H LEU A 41 5.698 -16.935 -3.755 1.00 11.10 H new ATOM 0 HA LEU A 41 7.323 -15.723 -4.769 1.00 25.44 H new ATOM 0 HB2 LEU A 41 8.502 -15.168 -2.086 1.00 11.22 H new ATOM 0 HB3 LEU A 41 7.997 -14.053 -3.340 1.00 11.22 H new ATOM 0 HG LEU A 41 5.857 -15.576 -1.920 1.00 23.31 H new ATOM 0 HD11 LEU A 41 5.840 -13.940 -0.078 1.00 53.24 H new ATOM 0 HD12 LEU A 41 7.332 -14.909 -0.086 1.00 53.24 H new ATOM 0 HD13 LEU A 41 7.354 -13.237 -0.694 1.00 53.24 H new ATOM 0 HD21 LEU A 41 4.666 -13.435 -2.188 1.00 62.35 H new ATOM 0 HD22 LEU A 41 6.134 -12.712 -2.888 1.00 62.35 H new ATOM 0 HD23 LEU A 41 5.302 -14.036 -3.738 1.00 62.35 H new ATOM 623 N GLU A 42 9.228 -17.390 -5.092 1.00 42.12 N ATOM 624 CA GLU A 42 10.499 -18.055 -5.357 1.00 14.10 C ATOM 625 C GLU A 42 11.129 -17.531 -6.644 1.00 4.42 C ATOM 626 O GLU A 42 10.739 -16.482 -7.156 1.00 43.03 O ATOM 627 CB GLU A 42 10.297 -19.568 -5.455 1.00 33.41 C ATOM 628 CG GLU A 42 9.549 -20.003 -6.704 1.00 63.23 C ATOM 629 CD GLU A 42 9.702 -21.485 -6.990 1.00 10.34 C ATOM 630 OE1 GLU A 42 9.711 -22.277 -6.025 1.00 22.41 O ATOM 631 OE2 GLU A 42 9.812 -21.851 -8.179 1.00 10.04 O ATOM 0 H GLU A 42 8.553 -17.449 -5.855 1.00 42.12 H new ATOM 0 HA GLU A 42 11.173 -17.838 -4.528 1.00 14.10 H new ATOM 0 HB2 GLU A 42 11.270 -20.058 -5.436 1.00 33.41 H new ATOM 0 HB3 GLU A 42 9.750 -19.911 -4.577 1.00 33.41 H new ATOM 0 HG2 GLU A 42 8.491 -19.766 -6.590 1.00 63.23 H new ATOM 0 HG3 GLU A 42 9.913 -19.432 -7.558 1.00 63.23 H new ATOM 638 N ALA A 43 12.107 -18.268 -7.160 1.00 21.22 N ATOM 639 CA ALA A 43 12.791 -17.879 -8.387 1.00 23.42 C ATOM 640 C ALA A 43 12.297 -18.699 -9.574 1.00 43.11 C ATOM 641 O ALA A 43 12.714 -19.840 -9.770 1.00 2.32 O ATOM 642 CB ALA A 43 14.296 -18.036 -8.224 1.00 51.13 C ATOM 0 H ALA A 43 12.443 -19.138 -6.747 1.00 21.22 H new ATOM 0 HA ALA A 43 12.565 -16.831 -8.584 1.00 23.42 H new ATOM 0 HB1 ALA A 43 14.795 -17.742 -9.148 1.00 51.13 H new ATOM 0 HB2 ALA A 43 14.642 -17.402 -7.407 1.00 51.13 H new ATOM 0 HB3 ALA A 43 14.531 -19.076 -8.000 1.00 51.13 H new ATOM 648 N GLY A 44 11.405 -18.109 -10.364 1.00 62.43 N ATOM 649 CA GLY A 44 10.869 -18.800 -11.522 1.00 74.42 C ATOM 650 C GLY A 44 11.953 -19.260 -12.477 1.00 35.43 C ATOM 651 O GLY A 44 12.762 -20.125 -12.139 1.00 34.03 O ATOM 0 H GLY A 44 11.044 -17.165 -10.223 1.00 62.43 H new ATOM 0 HA2 GLY A 44 10.291 -19.663 -11.191 1.00 74.42 H new ATOM 0 HA3 GLY A 44 10.181 -18.139 -12.049 1.00 74.42 H new ATOM 655 N HIS A 45 11.969 -18.683 -13.674 1.00 10.22 N ATOM 656 CA HIS A 45 12.962 -19.040 -14.681 1.00 55.43 C ATOM 657 C HIS A 45 14.107 -18.032 -14.696 1.00 50.13 C ATOM 658 O HIS A 45 15.246 -18.368 -14.374 1.00 64.41 O ATOM 659 CB HIS A 45 12.313 -19.112 -16.064 1.00 35.22 C ATOM 660 CG HIS A 45 12.558 -20.408 -16.773 1.00 72.23 C ATOM 661 ND1 HIS A 45 12.140 -21.627 -16.281 1.00 12.40 N ATOM 662 CD2 HIS A 45 13.181 -20.672 -17.946 1.00 11.43 C ATOM 663 CE1 HIS A 45 12.497 -22.583 -17.119 1.00 33.40 C ATOM 664 NE2 HIS A 45 13.130 -22.030 -18.138 1.00 34.32 N ATOM 0 H HIS A 45 11.306 -17.967 -13.970 1.00 10.22 H new ATOM 0 HA HIS A 45 13.367 -20.019 -14.426 1.00 55.43 H new ATOM 0 HB2 HIS A 45 11.238 -18.961 -15.960 1.00 35.22 H new ATOM 0 HB3 HIS A 45 12.692 -18.294 -16.677 1.00 35.22 H new ATOM 0 HD2 HIS A 45 13.634 -19.948 -18.608 1.00 11.43 H new ATOM 0 HE1 HIS A 45 12.304 -23.638 -16.993 1.00 33.40 H new ATOM 0 HE2 HIS A 45 13.518 -22.531 -18.938 1.00 34.32 H new ATOM 672 N TRP A 46 13.797 -16.797 -15.073 1.00 14.22 N ATOM 673 CA TRP A 46 14.801 -15.740 -15.130 1.00 72.55 C ATOM 674 C TRP A 46 15.427 -15.509 -13.760 1.00 30.33 C ATOM 675 O TRP A 46 14.814 -15.795 -12.731 1.00 42.20 O ATOM 676 CB TRP A 46 14.176 -14.442 -15.645 1.00 63.51 C ATOM 677 CG TRP A 46 13.650 -14.550 -17.044 1.00 64.34 C ATOM 678 CD1 TRP A 46 14.362 -14.870 -18.165 1.00 62.41 C ATOM 679 CD2 TRP A 46 12.301 -14.336 -17.472 1.00 12.25 C ATOM 680 NE1 TRP A 46 13.536 -14.868 -19.263 1.00 43.23 N ATOM 681 CE2 TRP A 46 12.267 -14.544 -18.864 1.00 54.13 C ATOM 682 CE3 TRP A 46 11.118 -13.991 -16.813 1.00 54.50 C ATOM 683 CZ2 TRP A 46 11.096 -14.416 -19.607 1.00 70.12 C ATOM 684 CZ3 TRP A 46 9.957 -13.864 -17.552 1.00 13.22 C ATOM 685 CH2 TRP A 46 9.952 -14.077 -18.937 1.00 3.13 C ATOM 0 H TRP A 46 12.859 -16.502 -15.344 1.00 14.22 H new ATOM 0 HA TRP A 46 15.586 -16.055 -15.818 1.00 72.55 H new ATOM 0 HB2 TRP A 46 13.363 -14.150 -14.980 1.00 63.51 H new ATOM 0 HB3 TRP A 46 14.921 -13.648 -15.605 1.00 63.51 H new ATOM 0 HD1 TRP A 46 15.419 -15.092 -18.185 1.00 62.41 H new ATOM 0 HE1 TRP A 46 13.822 -15.074 -20.220 1.00 43.23 H new ATOM 0 HE3 TRP A 46 11.111 -13.827 -15.746 1.00 54.50 H new ATOM 0 HZ2 TRP A 46 11.091 -14.579 -20.675 1.00 70.12 H new ATOM 0 HZ3 TRP A 46 9.037 -13.596 -17.053 1.00 13.22 H new ATOM 0 HH2 TRP A 46 9.028 -13.972 -19.486 1.00 3.13 H new ATOM 696 N SER A 47 16.651 -14.990 -13.753 1.00 33.53 N ATOM 697 CA SER A 47 17.361 -14.724 -12.507 1.00 61.43 C ATOM 698 C SER A 47 18.450 -13.676 -12.716 1.00 54.01 C ATOM 699 O SER A 47 19.467 -13.941 -13.357 1.00 10.32 O ATOM 700 CB SER A 47 17.977 -16.014 -11.961 1.00 42.04 C ATOM 701 OG SER A 47 18.969 -16.517 -12.840 1.00 1.13 O ATOM 0 H SER A 47 17.171 -14.746 -14.596 1.00 33.53 H new ATOM 0 HA SER A 47 16.643 -14.338 -11.783 1.00 61.43 H new ATOM 0 HB2 SER A 47 18.416 -15.825 -10.982 1.00 42.04 H new ATOM 0 HB3 SER A 47 17.197 -16.762 -11.821 1.00 42.04 H new ATOM 0 HG SER A 47 19.429 -15.770 -13.276 1.00 1.13 H new ATOM 707 N ARG A 48 18.227 -12.485 -12.170 1.00 43.35 N ATOM 708 CA ARG A 48 19.188 -11.395 -12.297 1.00 73.13 C ATOM 709 C ARG A 48 19.079 -10.434 -11.117 1.00 74.20 C ATOM 710 O ARG A 48 18.083 -10.436 -10.392 1.00 44.23 O ATOM 711 CB ARG A 48 18.962 -10.638 -13.607 1.00 63.25 C ATOM 712 CG ARG A 48 20.234 -10.418 -14.410 1.00 60.12 C ATOM 713 CD ARG A 48 20.769 -9.006 -14.231 1.00 14.21 C ATOM 714 NE ARG A 48 22.212 -8.936 -14.445 1.00 14.55 N ATOM 715 CZ ARG A 48 22.981 -7.972 -13.952 1.00 4.52 C ATOM 716 NH1 ARG A 48 22.449 -7.002 -13.221 1.00 30.13 N ATOM 717 NH2 ARG A 48 24.287 -7.976 -14.190 1.00 32.42 N ATOM 0 H ARG A 48 17.390 -12.250 -11.636 1.00 43.35 H new ATOM 0 HA ARG A 48 20.189 -11.826 -12.302 1.00 73.13 H new ATOM 0 HB2 ARG A 48 18.248 -11.190 -14.218 1.00 63.25 H new ATOM 0 HB3 ARG A 48 18.511 -9.671 -13.385 1.00 63.25 H new ATOM 0 HG2 ARG A 48 20.991 -11.137 -14.098 1.00 60.12 H new ATOM 0 HG3 ARG A 48 20.035 -10.602 -15.466 1.00 60.12 H new ATOM 0 HD2 ARG A 48 20.266 -8.337 -14.929 1.00 14.21 H new ATOM 0 HD3 ARG A 48 20.534 -8.654 -13.227 1.00 14.21 H new ATOM 0 HE ARG A 48 22.653 -9.667 -15.003 1.00 14.55 H new ATOM 0 HH11 ARG A 48 21.446 -6.995 -13.036 1.00 30.13 H new ATOM 0 HH12 ARG A 48 23.043 -6.263 -12.844 1.00 30.13 H new ATOM 0 HH21 ARG A 48 24.701 -8.720 -14.752 1.00 32.42 H new ATOM 0 HH22 ARG A 48 24.877 -7.235 -13.811 1.00 32.42 H new ATOM 731 N ASP A 49 20.108 -9.616 -10.930 1.00 41.33 N ATOM 732 CA ASP A 49 20.128 -8.649 -9.839 1.00 22.15 C ATOM 733 C ASP A 49 20.806 -7.353 -10.273 1.00 21.25 C ATOM 734 O ASP A 49 22.006 -7.331 -10.547 1.00 3.14 O ATOM 735 CB ASP A 49 20.850 -9.235 -8.624 1.00 13.43 C ATOM 736 CG ASP A 49 19.900 -9.561 -7.488 1.00 10.42 C ATOM 737 OD1 ASP A 49 19.323 -8.617 -6.907 1.00 74.35 O ATOM 738 OD2 ASP A 49 19.733 -10.759 -7.180 1.00 24.12 O ATOM 0 H ASP A 49 20.940 -9.603 -11.520 1.00 41.33 H new ATOM 0 HA ASP A 49 19.097 -8.424 -9.566 1.00 22.15 H new ATOM 0 HB2 ASP A 49 21.380 -10.140 -8.921 1.00 13.43 H new ATOM 0 HB3 ASP A 49 21.601 -8.526 -8.274 1.00 13.43 H new ATOM 743 N ILE A 50 20.029 -6.277 -10.334 1.00 3.15 N ATOM 744 CA ILE A 50 20.555 -4.978 -10.734 1.00 41.22 C ATOM 745 C ILE A 50 20.831 -4.098 -9.520 1.00 23.24 C ATOM 746 O ILE A 50 19.911 -3.547 -8.915 1.00 34.30 O ATOM 747 CB ILE A 50 19.583 -4.243 -11.676 1.00 14.03 C ATOM 748 CG1 ILE A 50 19.244 -5.122 -12.881 1.00 53.24 C ATOM 749 CG2 ILE A 50 20.182 -2.920 -12.129 1.00 64.42 C ATOM 750 CD1 ILE A 50 20.348 -5.183 -13.914 1.00 33.44 C ATOM 0 H ILE A 50 19.034 -6.279 -10.112 1.00 3.15 H new ATOM 0 HA ILE A 50 21.489 -5.166 -11.263 1.00 41.22 H new ATOM 0 HB ILE A 50 18.662 -4.034 -11.132 1.00 14.03 H new ATOM 0 HG12 ILE A 50 19.026 -6.132 -12.534 1.00 53.24 H new ATOM 0 HG13 ILE A 50 18.337 -4.744 -13.352 1.00 53.24 H new ATOM 0 HG21 ILE A 50 19.483 -2.413 -12.794 1.00 64.42 H new ATOM 0 HG22 ILE A 50 20.376 -2.292 -11.260 1.00 64.42 H new ATOM 0 HG23 ILE A 50 21.116 -3.106 -12.658 1.00 64.42 H new ATOM 0 HD11 ILE A 50 20.039 -5.824 -14.740 1.00 33.44 H new ATOM 0 HD12 ILE A 50 20.551 -4.180 -14.289 1.00 33.44 H new ATOM 0 HD13 ILE A 50 21.251 -5.589 -13.458 1.00 33.44 H new ATOM 762 N THR A 51 22.107 -3.968 -9.167 1.00 73.53 N ATOM 763 CA THR A 51 22.505 -3.155 -8.026 1.00 24.25 C ATOM 764 C THR A 51 22.918 -1.755 -8.465 1.00 32.00 C ATOM 765 O THR A 51 23.766 -1.120 -7.837 1.00 75.31 O ATOM 766 CB THR A 51 23.671 -3.803 -7.254 1.00 53.10 C ATOM 767 OG1 THR A 51 24.806 -3.950 -8.114 1.00 71.23 O ATOM 768 CG2 THR A 51 23.266 -5.162 -6.703 1.00 11.20 C ATOM 0 H THR A 51 22.882 -4.416 -9.656 1.00 73.53 H new ATOM 0 HA THR A 51 21.637 -3.086 -7.370 1.00 24.25 H new ATOM 0 HB THR A 51 23.931 -3.153 -6.419 1.00 53.10 H new ATOM 0 HG1 THR A 51 25.543 -4.361 -7.616 1.00 71.23 H new ATOM 0 HG21 THR A 51 24.105 -5.600 -6.162 1.00 11.20 H new ATOM 0 HG22 THR A 51 22.420 -5.043 -6.026 1.00 11.20 H new ATOM 0 HG23 THR A 51 22.982 -5.818 -7.526 1.00 11.20 H new ATOM 776 N LYS A 52 22.313 -1.277 -9.547 1.00 74.41 N ATOM 777 CA LYS A 52 22.615 0.049 -10.071 1.00 11.54 C ATOM 778 C LYS A 52 21.867 0.303 -11.376 1.00 25.31 C ATOM 779 O LYS A 52 21.853 -0.530 -12.283 1.00 21.14 O ATOM 780 CB LYS A 52 24.121 0.201 -10.295 1.00 61.44 C ATOM 781 CG LYS A 52 24.761 1.272 -9.430 1.00 11.04 C ATOM 782 CD LYS A 52 26.177 1.583 -9.883 1.00 43.31 C ATOM 783 CE LYS A 52 26.225 2.841 -10.737 1.00 3.21 C ATOM 784 NZ LYS A 52 27.607 3.142 -11.204 1.00 1.45 N ATOM 0 H LYS A 52 21.609 -1.789 -10.079 1.00 74.41 H new ATOM 0 HA LYS A 52 22.287 0.785 -9.337 1.00 11.54 H new ATOM 0 HB2 LYS A 52 24.607 -0.754 -10.095 1.00 61.44 H new ATOM 0 HB3 LYS A 52 24.302 0.437 -11.344 1.00 61.44 H new ATOM 0 HG2 LYS A 52 24.158 2.180 -9.468 1.00 11.04 H new ATOM 0 HG3 LYS A 52 24.775 0.942 -8.391 1.00 11.04 H new ATOM 0 HD2 LYS A 52 26.820 1.709 -9.012 1.00 43.31 H new ATOM 0 HD3 LYS A 52 26.572 0.741 -10.451 1.00 43.31 H new ATOM 0 HE2 LYS A 52 25.569 2.720 -11.599 1.00 3.21 H new ATOM 0 HE3 LYS A 52 25.844 3.685 -10.162 1.00 3.21 H new ATOM 0 HZ1 LYS A 52 27.597 4.006 -11.783 1.00 1.45 H new ATOM 0 HZ2 LYS A 52 28.228 3.283 -10.382 1.00 1.45 H new ATOM 0 HZ3 LYS A 52 27.962 2.348 -11.774 1.00 1.45 H new ATOM 798 N PRO A 53 21.232 1.480 -11.476 1.00 64.24 N ATOM 799 CA PRO A 53 20.473 1.870 -12.668 1.00 1.41 C ATOM 800 C PRO A 53 21.375 2.144 -13.866 1.00 63.35 C ATOM 801 O PRO A 53 22.599 2.054 -13.769 1.00 4.33 O ATOM 802 CB PRO A 53 19.762 3.153 -12.231 1.00 11.45 C ATOM 803 CG PRO A 53 20.616 3.708 -11.143 1.00 34.22 C ATOM 804 CD PRO A 53 21.207 2.520 -10.435 1.00 1.43 C ATOM 0 HA PRO A 53 19.796 1.081 -12.996 1.00 1.41 H new ATOM 0 HB2 PRO A 53 19.669 3.856 -13.059 1.00 11.45 H new ATOM 0 HB3 PRO A 53 18.753 2.945 -11.875 1.00 11.45 H new ATOM 0 HG2 PRO A 53 21.398 4.349 -11.549 1.00 34.22 H new ATOM 0 HG3 PRO A 53 20.028 4.318 -10.458 1.00 34.22 H new ATOM 0 HD2 PRO A 53 22.207 2.734 -10.057 1.00 1.43 H new ATOM 0 HD3 PRO A 53 20.601 2.219 -9.581 1.00 1.43 H new ATOM 812 N LYS A 54 20.764 2.478 -14.998 1.00 34.23 N ATOM 813 CA LYS A 54 21.511 2.766 -16.216 1.00 11.21 C ATOM 814 C LYS A 54 21.066 4.091 -16.826 1.00 51.44 C ATOM 815 O LYS A 54 21.854 4.787 -17.466 1.00 22.53 O ATOM 816 CB LYS A 54 21.326 1.637 -17.232 1.00 33.21 C ATOM 817 CG LYS A 54 19.879 1.416 -17.639 1.00 2.01 C ATOM 818 CD LYS A 54 19.770 0.955 -19.083 1.00 23.34 C ATOM 819 CE LYS A 54 19.817 -0.562 -19.188 1.00 53.01 C ATOM 820 NZ LYS A 54 20.879 -1.021 -20.125 1.00 44.40 N ATOM 0 H LYS A 54 19.752 2.556 -15.097 1.00 34.23 H new ATOM 0 HA LYS A 54 22.567 2.842 -15.955 1.00 11.21 H new ATOM 0 HB2 LYS A 54 21.915 1.860 -18.122 1.00 33.21 H new ATOM 0 HB3 LYS A 54 21.722 0.713 -16.811 1.00 33.21 H new ATOM 0 HG2 LYS A 54 19.425 0.673 -16.984 1.00 2.01 H new ATOM 0 HG3 LYS A 54 19.318 2.341 -17.508 1.00 2.01 H new ATOM 0 HD2 LYS A 54 18.839 1.322 -19.514 1.00 23.34 H new ATOM 0 HD3 LYS A 54 20.583 1.387 -19.666 1.00 23.34 H new ATOM 0 HE2 LYS A 54 19.995 -0.989 -18.201 1.00 53.01 H new ATOM 0 HE3 LYS A 54 18.849 -0.933 -19.526 1.00 53.01 H new ATOM 0 HZ1 LYS A 54 20.878 -2.060 -20.168 1.00 44.40 H new ATOM 0 HZ2 LYS A 54 20.696 -0.635 -21.073 1.00 44.40 H new ATOM 0 HZ3 LYS A 54 21.806 -0.689 -19.789 1.00 44.40 H new ATOM 834 N ASN A 55 19.798 4.435 -16.623 1.00 43.22 N ATOM 835 CA ASN A 55 19.249 5.678 -17.153 1.00 41.02 C ATOM 836 C ASN A 55 18.200 6.255 -16.208 1.00 54.54 C ATOM 837 O ASN A 55 17.110 6.638 -16.633 1.00 31.51 O ATOM 838 CB ASN A 55 18.633 5.440 -18.533 1.00 43.14 C ATOM 839 CG ASN A 55 19.610 5.722 -19.659 1.00 21.23 C ATOM 840 OD1 ASN A 55 20.461 6.605 -19.551 1.00 14.33 O ATOM 841 ND2 ASN A 55 19.492 4.970 -20.747 1.00 32.33 N ATOM 0 H ASN A 55 19.132 3.871 -16.096 1.00 43.22 H new ATOM 0 HA ASN A 55 20.064 6.396 -17.245 1.00 41.02 H new ATOM 0 HB2 ASN A 55 18.291 4.407 -18.602 1.00 43.14 H new ATOM 0 HB3 ASN A 55 17.755 6.075 -18.650 1.00 43.14 H new ATOM 0 HD21 ASN A 55 20.122 5.113 -21.537 1.00 32.33 H new ATOM 0 HD22 ASN A 55 18.772 4.249 -20.793 1.00 32.33 H new ATOM 848 N GLY A 56 18.537 6.316 -14.924 1.00 11.44 N ATOM 849 CA GLY A 56 17.614 6.849 -13.939 1.00 33.24 C ATOM 850 C GLY A 56 16.671 5.792 -13.397 1.00 3.43 C ATOM 851 O GLY A 56 16.177 5.908 -12.275 1.00 40.42 O ATOM 0 H GLY A 56 19.433 6.006 -14.548 1.00 11.44 H new ATOM 0 HA2 GLY A 56 18.179 7.285 -13.115 1.00 33.24 H new ATOM 0 HA3 GLY A 56 17.033 7.654 -14.388 1.00 33.24 H new ATOM 855 N ARG A 57 16.420 4.760 -14.195 1.00 42.01 N ATOM 856 CA ARG A 57 15.528 3.680 -13.790 1.00 42.31 C ATOM 857 C ARG A 57 16.213 2.325 -13.940 1.00 33.34 C ATOM 858 O ARG A 57 17.240 2.208 -14.608 1.00 21.55 O ATOM 859 CB ARG A 57 14.245 3.710 -14.623 1.00 4.41 C ATOM 860 CG ARG A 57 13.774 5.114 -14.965 1.00 10.54 C ATOM 861 CD ARG A 57 13.760 5.347 -16.467 1.00 43.23 C ATOM 862 NE ARG A 57 12.582 6.096 -16.894 1.00 54.44 N ATOM 863 CZ ARG A 57 12.464 6.661 -18.091 1.00 14.21 C ATOM 864 NH1 ARG A 57 13.447 6.562 -18.974 1.00 62.15 N ATOM 865 NH2 ARG A 57 11.360 7.327 -18.406 1.00 33.32 N ATOM 0 H ARG A 57 16.822 4.649 -15.126 1.00 42.01 H new ATOM 0 HA ARG A 57 15.275 3.826 -12.740 1.00 42.31 H new ATOM 0 HB2 ARG A 57 14.409 3.156 -15.547 1.00 4.41 H new ATOM 0 HB3 ARG A 57 13.455 3.194 -14.077 1.00 4.41 H new ATOM 0 HG2 ARG A 57 12.774 5.271 -14.562 1.00 10.54 H new ATOM 0 HG3 ARG A 57 14.428 5.844 -14.489 1.00 10.54 H new ATOM 0 HD2 ARG A 57 14.659 5.890 -16.758 1.00 43.23 H new ATOM 0 HD3 ARG A 57 13.786 4.387 -16.983 1.00 43.23 H new ATOM 0 HE ARG A 57 11.807 6.191 -16.238 1.00 54.44 H new ATOM 0 HH11 ARG A 57 14.297 6.051 -18.736 1.00 62.15 H new ATOM 0 HH12 ARG A 57 13.354 6.997 -19.892 1.00 62.15 H new ATOM 0 HH21 ARG A 57 10.601 7.406 -17.729 1.00 33.32 H new ATOM 0 HH22 ARG A 57 11.270 7.760 -19.325 1.00 33.32 H new ATOM 879 N TRP A 58 15.637 1.305 -13.313 1.00 54.05 N ATOM 880 CA TRP A 58 16.192 -0.042 -13.377 1.00 34.45 C ATOM 881 C TRP A 58 15.668 -0.790 -14.598 1.00 21.13 C ATOM 882 O TRP A 58 14.582 -1.369 -14.564 1.00 14.34 O ATOM 883 CB TRP A 58 15.849 -0.817 -12.103 1.00 61.31 C ATOM 884 CG TRP A 58 15.982 0.002 -10.855 1.00 43.22 C ATOM 885 CD1 TRP A 58 15.103 0.938 -10.392 1.00 15.24 C ATOM 886 CD2 TRP A 58 17.060 -0.040 -9.913 1.00 75.31 C ATOM 887 NE1 TRP A 58 15.568 1.480 -9.218 1.00 0.31 N ATOM 888 CE2 TRP A 58 16.766 0.896 -8.903 1.00 3.35 C ATOM 889 CE3 TRP A 58 18.242 -0.779 -9.824 1.00 20.55 C ATOM 890 CZ2 TRP A 58 17.614 1.112 -7.819 1.00 72.21 C ATOM 891 CZ3 TRP A 58 19.082 -0.564 -8.748 1.00 22.22 C ATOM 892 CH2 TRP A 58 18.765 0.374 -7.757 1.00 12.31 C ATOM 0 H TRP A 58 14.787 1.385 -12.755 1.00 54.05 H new ATOM 0 HA TRP A 58 17.275 0.042 -13.463 1.00 34.45 H new ATOM 0 HB2 TRP A 58 14.827 -1.190 -12.177 1.00 61.31 H new ATOM 0 HB3 TRP A 58 16.501 -1.687 -12.029 1.00 61.31 H new ATOM 0 HD1 TRP A 58 14.178 1.212 -10.877 1.00 15.24 H new ATOM 0 HE1 TRP A 58 15.097 2.200 -8.670 1.00 0.31 H new ATOM 0 HE3 TRP A 58 18.495 -1.505 -10.582 1.00 20.55 H new ATOM 0 HZ2 TRP A 58 17.372 1.836 -7.055 1.00 72.21 H new ATOM 0 HZ3 TRP A 58 19.999 -1.129 -8.670 1.00 22.22 H new ATOM 0 HH2 TRP A 58 19.442 0.518 -6.928 1.00 12.31 H new ATOM 903 N ILE A 59 16.447 -0.775 -15.674 1.00 54.54 N ATOM 904 CA ILE A 59 16.061 -1.453 -16.905 1.00 54.14 C ATOM 905 C ILE A 59 16.811 -2.770 -17.066 1.00 23.53 C ATOM 906 O ILE A 59 17.992 -2.869 -16.732 1.00 23.12 O ATOM 907 CB ILE A 59 16.324 -0.571 -18.140 1.00 62.34 C ATOM 908 CG1 ILE A 59 15.704 0.814 -17.947 1.00 40.00 C ATOM 909 CG2 ILE A 59 15.771 -1.235 -19.393 1.00 2.03 C ATOM 910 CD1 ILE A 59 16.163 1.830 -18.970 1.00 33.41 C ATOM 0 H ILE A 59 17.349 -0.301 -15.718 1.00 54.54 H new ATOM 0 HA ILE A 59 14.992 -1.653 -16.833 1.00 54.14 H new ATOM 0 HB ILE A 59 17.401 -0.452 -18.260 1.00 62.34 H new ATOM 0 HG12 ILE A 59 14.619 0.727 -17.995 1.00 40.00 H new ATOM 0 HG13 ILE A 59 15.951 1.178 -16.950 1.00 40.00 H new ATOM 0 HG21 ILE A 59 15.965 -0.600 -20.257 1.00 2.03 H new ATOM 0 HG22 ILE A 59 16.255 -2.201 -19.537 1.00 2.03 H new ATOM 0 HG23 ILE A 59 14.696 -1.381 -19.283 1.00 2.03 H new ATOM 0 HD11 ILE A 59 15.683 2.788 -18.772 1.00 33.41 H new ATOM 0 HD12 ILE A 59 17.245 1.946 -18.907 1.00 33.41 H new ATOM 0 HD13 ILE A 59 15.892 1.488 -19.969 1.00 33.41 H new ATOM 922 N PHE A 60 16.119 -3.781 -17.581 1.00 13.14 N ATOM 923 CA PHE A 60 16.720 -5.093 -17.787 1.00 32.44 C ATOM 924 C PHE A 60 16.358 -5.648 -19.161 1.00 53.24 C ATOM 925 O PHE A 60 15.329 -5.290 -19.735 1.00 71.33 O ATOM 926 CB PHE A 60 16.262 -6.064 -16.696 1.00 63.31 C ATOM 927 CG PHE A 60 16.401 -7.509 -17.083 1.00 54.11 C ATOM 928 CD1 PHE A 60 17.581 -8.194 -16.844 1.00 41.24 C ATOM 929 CD2 PHE A 60 15.350 -8.182 -17.686 1.00 41.10 C ATOM 930 CE1 PHE A 60 17.712 -9.523 -17.199 1.00 34.51 C ATOM 931 CE2 PHE A 60 15.475 -9.511 -18.042 1.00 74.43 C ATOM 932 CZ PHE A 60 16.657 -10.183 -17.800 1.00 1.34 C ATOM 0 H PHE A 60 15.141 -3.716 -17.863 1.00 13.14 H new ATOM 0 HA PHE A 60 17.803 -4.981 -17.734 1.00 32.44 H new ATOM 0 HB2 PHE A 60 16.842 -5.881 -15.791 1.00 63.31 H new ATOM 0 HB3 PHE A 60 15.219 -5.860 -16.453 1.00 63.31 H new ATOM 0 HD1 PHE A 60 18.409 -7.683 -16.375 1.00 41.24 H new ATOM 0 HD2 PHE A 60 14.423 -7.662 -17.880 1.00 41.10 H new ATOM 0 HE1 PHE A 60 18.638 -10.045 -17.007 1.00 34.51 H new ATOM 0 HE2 PHE A 60 14.648 -10.025 -18.510 1.00 74.43 H new ATOM 0 HZ PHE A 60 16.757 -11.221 -18.080 1.00 1.34 H new ATOM 942 N ARG A 61 17.211 -6.523 -19.684 1.00 1.45 N ATOM 943 CA ARG A 61 16.983 -7.125 -20.991 1.00 71.33 C ATOM 944 C ARG A 61 17.452 -8.577 -21.010 1.00 64.12 C ATOM 945 O ARG A 61 18.535 -8.896 -20.518 1.00 33.41 O ATOM 946 CB ARG A 61 17.709 -6.329 -22.077 1.00 71.22 C ATOM 947 CG ARG A 61 17.290 -4.870 -22.145 1.00 52.33 C ATOM 948 CD ARG A 61 18.238 -3.980 -21.357 1.00 21.45 C ATOM 949 NE ARG A 61 18.821 -2.930 -22.187 1.00 1.23 N ATOM 950 CZ ARG A 61 19.831 -3.131 -23.025 1.00 63.43 C ATOM 951 NH1 ARG A 61 20.368 -4.338 -23.145 1.00 35.15 N ATOM 952 NH2 ARG A 61 20.307 -2.125 -23.747 1.00 40.31 N ATOM 0 H ARG A 61 18.067 -6.831 -19.222 1.00 1.45 H new ATOM 0 HA ARG A 61 15.912 -7.104 -21.190 1.00 71.33 H new ATOM 0 HB2 ARG A 61 18.783 -6.382 -21.898 1.00 71.22 H new ATOM 0 HB3 ARG A 61 17.524 -6.797 -23.044 1.00 71.22 H new ATOM 0 HG2 ARG A 61 17.265 -4.546 -23.185 1.00 52.33 H new ATOM 0 HG3 ARG A 61 16.278 -4.762 -21.753 1.00 52.33 H new ATOM 0 HD2 ARG A 61 17.701 -3.527 -20.524 1.00 21.45 H new ATOM 0 HD3 ARG A 61 19.035 -4.588 -20.930 1.00 21.45 H new ATOM 0 HE ARG A 61 18.431 -1.990 -22.119 1.00 1.23 H new ATOM 0 HH11 ARG A 61 20.005 -5.115 -22.593 1.00 35.15 H new ATOM 0 HH12 ARG A 61 21.144 -4.489 -23.790 1.00 35.15 H new ATOM 0 HH21 ARG A 61 19.897 -1.195 -23.659 1.00 40.31 H new ATOM 0 HH22 ARG A 61 21.083 -2.281 -24.390 1.00 40.31 H new ATOM 966 N ASP A 62 16.631 -9.452 -21.581 1.00 2.53 N ATOM 967 CA ASP A 62 16.962 -10.869 -21.664 1.00 61.34 C ATOM 968 C ASP A 62 17.208 -11.285 -23.111 1.00 72.54 C ATOM 969 O ASP A 62 17.028 -10.491 -24.035 1.00 25.41 O ATOM 970 CB ASP A 62 15.838 -11.714 -21.062 1.00 3.34 C ATOM 971 CG ASP A 62 16.323 -13.071 -20.590 1.00 51.32 C ATOM 972 OD1 ASP A 62 17.084 -13.118 -19.601 1.00 64.52 O ATOM 973 OD2 ASP A 62 15.940 -14.085 -21.210 1.00 10.15 O ATOM 0 H ASP A 62 15.731 -9.204 -21.993 1.00 2.53 H new ATOM 0 HA ASP A 62 17.877 -11.037 -21.095 1.00 61.34 H new ATOM 0 HB2 ASP A 62 15.394 -11.178 -20.223 1.00 3.34 H new ATOM 0 HB3 ASP A 62 15.052 -11.850 -21.805 1.00 3.34 H new ATOM 978 N ARG A 63 17.620 -12.535 -23.301 1.00 10.34 N ATOM 979 CA ARG A 63 17.893 -13.055 -24.635 1.00 34.52 C ATOM 980 C ARG A 63 17.382 -14.487 -24.775 1.00 11.54 C ATOM 981 O ARG A 63 17.754 -15.201 -25.705 1.00 11.53 O ATOM 982 CB ARG A 63 19.393 -13.007 -24.927 1.00 63.34 C ATOM 983 CG ARG A 63 20.242 -13.702 -23.875 1.00 13.12 C ATOM 984 CD ARG A 63 21.726 -13.490 -24.127 1.00 43.10 C ATOM 985 NE ARG A 63 22.516 -13.641 -22.908 1.00 13.44 N ATOM 986 CZ ARG A 63 23.837 -13.515 -22.868 1.00 5.14 C ATOM 987 NH1 ARG A 63 24.514 -13.237 -23.973 1.00 61.45 N ATOM 988 NH2 ARG A 63 24.485 -13.666 -21.719 1.00 61.44 N ATOM 0 H ARG A 63 17.772 -13.206 -22.548 1.00 10.34 H new ATOM 0 HA ARG A 63 17.369 -12.428 -25.357 1.00 34.52 H new ATOM 0 HB2 ARG A 63 19.581 -13.469 -25.896 1.00 63.34 H new ATOM 0 HB3 ARG A 63 19.706 -11.966 -25.004 1.00 63.34 H new ATOM 0 HG2 ARG A 63 19.982 -13.322 -22.887 1.00 13.12 H new ATOM 0 HG3 ARG A 63 20.021 -14.769 -23.875 1.00 13.12 H new ATOM 0 HD2 ARG A 63 22.072 -14.204 -24.874 1.00 43.10 H new ATOM 0 HD3 ARG A 63 21.885 -12.494 -24.541 1.00 43.10 H new ATOM 0 HE ARG A 63 22.026 -13.855 -22.039 1.00 13.44 H new ATOM 0 HH11 ARG A 63 24.020 -13.119 -24.858 1.00 61.45 H new ATOM 0 HH12 ARG A 63 25.529 -13.141 -23.939 1.00 61.45 H new ATOM 0 HH21 ARG A 63 23.968 -13.879 -20.866 1.00 61.44 H new ATOM 0 HH22 ARG A 63 25.500 -13.569 -21.689 1.00 61.44 H new ATOM 1002 N ASN A 64 16.528 -14.898 -23.843 1.00 72.22 N ATOM 1003 CA ASN A 64 15.967 -16.244 -23.862 1.00 32.31 C ATOM 1004 C ASN A 64 14.447 -16.202 -23.729 1.00 65.43 C ATOM 1005 O ASN A 64 13.794 -17.241 -23.634 1.00 53.45 O ATOM 1006 CB ASN A 64 16.566 -17.085 -22.732 1.00 54.41 C ATOM 1007 CG ASN A 64 17.860 -16.500 -22.200 1.00 52.12 C ATOM 1008 OD1 ASN A 64 18.934 -16.738 -22.752 1.00 24.25 O ATOM 1009 ND2 ASN A 64 17.762 -15.730 -21.123 1.00 1.23 N ATOM 0 H ASN A 64 16.210 -14.319 -23.066 1.00 72.22 H new ATOM 0 HA ASN A 64 16.218 -16.702 -24.819 1.00 32.31 H new ATOM 0 HB2 ASN A 64 15.844 -17.163 -21.919 1.00 54.41 H new ATOM 0 HB3 ASN A 64 16.749 -18.097 -23.094 1.00 54.41 H new ATOM 0 HD21 ASN A 64 18.599 -15.308 -20.720 1.00 1.23 H new ATOM 0 HD22 ASN A 64 16.850 -15.560 -20.699 1.00 1.23 H new ATOM 1016 N ALA A 65 13.893 -14.995 -23.724 1.00 54.22 N ATOM 1017 CA ALA A 65 12.451 -14.817 -23.606 1.00 73.21 C ATOM 1018 C ALA A 65 11.792 -14.747 -24.980 1.00 11.04 C ATOM 1019 O ALA A 65 11.781 -13.696 -25.620 1.00 63.43 O ATOM 1020 CB ALA A 65 12.137 -13.563 -22.804 1.00 23.14 C ATOM 0 H ALA A 65 14.421 -14.125 -23.800 1.00 54.22 H new ATOM 0 HA ALA A 65 12.046 -15.682 -23.081 1.00 73.21 H new ATOM 0 HB1 ALA A 65 11.057 -13.443 -22.724 1.00 23.14 H new ATOM 0 HB2 ALA A 65 12.567 -13.652 -21.806 1.00 23.14 H new ATOM 0 HB3 ALA A 65 12.562 -12.694 -23.306 1.00 23.14 H new ATOM 1026 N ALA A 66 11.244 -15.872 -25.426 1.00 71.41 N ATOM 1027 CA ALA A 66 10.582 -15.938 -26.723 1.00 50.41 C ATOM 1028 C ALA A 66 9.074 -15.761 -26.579 1.00 61.34 C ATOM 1029 O ALA A 66 8.334 -16.738 -26.454 1.00 53.24 O ATOM 1030 CB ALA A 66 10.898 -17.257 -27.411 1.00 71.41 C ATOM 0 H ALA A 66 11.245 -16.751 -24.908 1.00 71.41 H new ATOM 0 HA ALA A 66 10.960 -15.121 -27.338 1.00 50.41 H new ATOM 0 HB1 ALA A 66 10.397 -17.292 -28.378 1.00 71.41 H new ATOM 0 HB2 ALA A 66 11.975 -17.342 -27.557 1.00 71.41 H new ATOM 0 HB3 ALA A 66 10.549 -18.083 -26.792 1.00 71.41 H new ATOM 1036 N LEU A 67 8.625 -14.511 -26.597 1.00 60.34 N ATOM 1037 CA LEU A 67 7.204 -14.207 -26.468 1.00 42.24 C ATOM 1038 C LEU A 67 6.796 -13.094 -27.428 1.00 44.05 C ATOM 1039 O LEU A 67 7.644 -12.464 -28.061 1.00 54.55 O ATOM 1040 CB LEU A 67 6.878 -13.800 -25.030 1.00 61.22 C ATOM 1041 CG LEU A 67 7.255 -12.372 -24.635 1.00 23.14 C ATOM 1042 CD1 LEU A 67 8.675 -12.053 -25.076 1.00 23.30 C ATOM 1043 CD2 LEU A 67 6.273 -11.376 -25.233 1.00 14.14 C ATOM 0 H LEU A 67 9.224 -13.692 -26.700 1.00 60.34 H new ATOM 0 HA LEU A 67 6.641 -15.105 -26.722 1.00 42.24 H new ATOM 0 HB2 LEU A 67 5.807 -13.929 -24.871 1.00 61.22 H new ATOM 0 HB3 LEU A 67 7.386 -14.489 -24.355 1.00 61.22 H new ATOM 0 HG LEU A 67 7.207 -12.292 -23.549 1.00 23.14 H new ATOM 0 HD11 LEU A 67 8.925 -11.032 -24.786 1.00 23.30 H new ATOM 0 HD12 LEU A 67 9.368 -12.746 -24.599 1.00 23.30 H new ATOM 0 HD13 LEU A 67 8.750 -12.152 -26.159 1.00 23.30 H new ATOM 0 HD21 LEU A 67 6.557 -10.365 -24.941 1.00 14.14 H new ATOM 0 HD22 LEU A 67 6.288 -11.458 -26.320 1.00 14.14 H new ATOM 0 HD23 LEU A 67 5.269 -11.591 -24.867 1.00 14.14 H new ATOM 1055 N LYS A 68 5.493 -12.856 -27.531 1.00 2.13 N ATOM 1056 CA LYS A 68 4.971 -11.817 -28.410 1.00 44.34 C ATOM 1057 C LYS A 68 3.582 -11.374 -27.965 1.00 14.34 C ATOM 1058 O LYS A 68 2.869 -12.119 -27.291 1.00 51.33 O ATOM 1059 CB LYS A 68 4.919 -12.321 -29.854 1.00 72.23 C ATOM 1060 CG LYS A 68 4.227 -13.665 -30.004 1.00 51.03 C ATOM 1061 CD LYS A 68 5.214 -14.815 -29.899 1.00 61.30 C ATOM 1062 CE LYS A 68 4.791 -15.994 -30.763 1.00 11.25 C ATOM 1063 NZ LYS A 68 5.761 -17.121 -30.677 1.00 53.40 N ATOM 0 H LYS A 68 4.778 -13.370 -27.016 1.00 2.13 H new ATOM 0 HA LYS A 68 5.641 -10.959 -28.354 1.00 44.34 H new ATOM 0 HB2 LYS A 68 4.401 -11.585 -30.469 1.00 72.23 H new ATOM 0 HB3 LYS A 68 5.936 -12.400 -30.239 1.00 72.23 H new ATOM 0 HG2 LYS A 68 3.462 -13.769 -29.234 1.00 51.03 H new ATOM 0 HG3 LYS A 68 3.718 -13.708 -30.967 1.00 51.03 H new ATOM 0 HD2 LYS A 68 6.204 -14.475 -30.204 1.00 61.30 H new ATOM 0 HD3 LYS A 68 5.293 -15.134 -28.860 1.00 61.30 H new ATOM 0 HE2 LYS A 68 3.805 -16.338 -30.450 1.00 11.25 H new ATOM 0 HE3 LYS A 68 4.701 -15.671 -31.800 1.00 11.25 H new ATOM 0 HZ1 LYS A 68 5.437 -17.904 -31.279 1.00 53.40 H new ATOM 0 HZ2 LYS A 68 6.696 -16.800 -31.000 1.00 53.40 H new ATOM 0 HZ3 LYS A 68 5.828 -17.447 -29.692 1.00 53.40 H new ATOM 1077 N ILE A 69 3.203 -10.158 -28.345 1.00 75.42 N ATOM 1078 CA ILE A 69 1.897 -9.619 -27.986 1.00 40.44 C ATOM 1079 C ILE A 69 0.851 -10.724 -27.895 1.00 70.44 C ATOM 1080 O ILE A 69 0.574 -11.413 -28.876 1.00 72.52 O ATOM 1081 CB ILE A 69 1.425 -8.563 -29.004 1.00 60.52 C ATOM 1082 CG1 ILE A 69 2.409 -7.392 -29.051 1.00 33.41 C ATOM 1083 CG2 ILE A 69 0.028 -8.075 -28.652 1.00 30.14 C ATOM 1084 CD1 ILE A 69 2.096 -6.301 -28.051 1.00 44.24 C ATOM 0 H ILE A 69 3.781 -9.528 -28.901 1.00 75.42 H new ATOM 0 HA ILE A 69 2.008 -9.147 -27.010 1.00 40.44 H new ATOM 0 HB ILE A 69 1.390 -9.023 -29.992 1.00 60.52 H new ATOM 0 HG12 ILE A 69 3.416 -7.766 -28.866 1.00 33.41 H new ATOM 0 HG13 ILE A 69 2.407 -6.966 -30.054 1.00 33.41 H new ATOM 0 HG21 ILE A 69 -0.291 -7.330 -29.380 1.00 30.14 H new ATOM 0 HG22 ILE A 69 -0.665 -8.916 -28.666 1.00 30.14 H new ATOM 0 HG23 ILE A 69 0.038 -7.629 -27.657 1.00 30.14 H new ATOM 0 HD11 ILE A 69 2.834 -5.503 -28.140 1.00 44.24 H new ATOM 0 HD12 ILE A 69 1.102 -5.900 -28.249 1.00 44.24 H new ATOM 0 HD13 ILE A 69 2.127 -6.712 -27.042 1.00 44.24 H new ATOM 1096 N GLY A 70 0.271 -10.887 -26.710 1.00 23.31 N ATOM 1097 CA GLY A 70 -0.739 -11.910 -26.513 1.00 15.24 C ATOM 1098 C GLY A 70 -0.393 -12.857 -25.381 1.00 62.11 C ATOM 1099 O GLY A 70 -1.275 -13.488 -24.798 1.00 41.13 O ATOM 0 H GLY A 70 0.483 -10.329 -25.883 1.00 23.31 H new ATOM 0 HA2 GLY A 70 -1.697 -11.434 -26.304 1.00 15.24 H new ATOM 0 HA3 GLY A 70 -0.860 -12.479 -27.435 1.00 15.24 H new ATOM 1103 N ASP A 71 0.895 -12.959 -25.070 1.00 52.35 N ATOM 1104 CA ASP A 71 1.356 -13.837 -24.001 1.00 44.35 C ATOM 1105 C ASP A 71 1.019 -13.252 -22.634 1.00 14.43 C ATOM 1106 O ASP A 71 0.283 -12.270 -22.531 1.00 1.33 O ATOM 1107 CB ASP A 71 2.865 -14.064 -24.115 1.00 13.35 C ATOM 1108 CG ASP A 71 3.203 -15.401 -24.744 1.00 3.23 C ATOM 1109 OD1 ASP A 71 2.268 -16.110 -25.171 1.00 40.21 O ATOM 1110 OD2 ASP A 71 4.404 -15.738 -24.809 1.00 73.05 O ATOM 0 H ASP A 71 1.638 -12.445 -25.543 1.00 52.35 H new ATOM 0 HA ASP A 71 0.843 -14.793 -24.103 1.00 44.35 H new ATOM 0 HB2 ASP A 71 3.306 -13.264 -24.710 1.00 13.35 H new ATOM 0 HB3 ASP A 71 3.314 -14.008 -23.123 1.00 13.35 H new ATOM 1115 N LYS A 72 1.560 -13.862 -21.585 1.00 11.21 N ATOM 1116 CA LYS A 72 1.317 -13.403 -20.223 1.00 1.55 C ATOM 1117 C LYS A 72 2.531 -13.662 -19.336 1.00 60.42 C ATOM 1118 O LYS A 72 3.398 -14.469 -19.676 1.00 15.34 O ATOM 1119 CB LYS A 72 0.087 -14.101 -19.638 1.00 60.15 C ATOM 1120 CG LYS A 72 -1.224 -13.420 -19.991 1.00 60.02 C ATOM 1121 CD LYS A 72 -2.078 -14.290 -20.898 1.00 41.13 C ATOM 1122 CE LYS A 72 -2.717 -13.475 -22.012 1.00 14.42 C ATOM 1123 NZ LYS A 72 -3.413 -14.340 -23.004 1.00 34.34 N ATOM 0 H LYS A 72 2.170 -14.676 -21.652 1.00 11.21 H new ATOM 0 HA LYS A 72 1.136 -12.329 -20.256 1.00 1.55 H new ATOM 0 HB2 LYS A 72 0.060 -15.130 -19.995 1.00 60.15 H new ATOM 0 HB3 LYS A 72 0.185 -14.142 -18.553 1.00 60.15 H new ATOM 0 HG2 LYS A 72 -1.775 -13.194 -19.078 1.00 60.02 H new ATOM 0 HG3 LYS A 72 -1.020 -12.469 -20.484 1.00 60.02 H new ATOM 0 HD2 LYS A 72 -1.464 -15.080 -21.330 1.00 41.13 H new ATOM 0 HD3 LYS A 72 -2.856 -14.777 -20.310 1.00 41.13 H new ATOM 0 HE2 LYS A 72 -3.429 -12.769 -21.583 1.00 14.42 H new ATOM 0 HE3 LYS A 72 -1.951 -12.887 -22.517 1.00 14.42 H new ATOM 0 HZ1 LYS A 72 -2.896 -14.318 -23.906 1.00 34.34 H new ATOM 0 HZ2 LYS A 72 -3.448 -15.317 -22.649 1.00 34.34 H new ATOM 0 HZ3 LYS A 72 -4.381 -13.990 -23.151 1.00 34.34 H new ATOM 1137 N ILE A 73 2.586 -12.976 -18.200 1.00 0.01 N ATOM 1138 CA ILE A 73 3.693 -13.135 -17.265 1.00 35.34 C ATOM 1139 C ILE A 73 3.191 -13.207 -15.826 1.00 53.14 C ATOM 1140 O ILE A 73 2.206 -12.560 -15.468 1.00 61.15 O ATOM 1141 CB ILE A 73 4.704 -11.980 -17.387 1.00 14.04 C ATOM 1142 CG1 ILE A 73 5.397 -12.022 -18.750 1.00 20.01 C ATOM 1143 CG2 ILE A 73 5.727 -12.051 -16.263 1.00 61.02 C ATOM 1144 CD1 ILE A 73 6.237 -10.798 -19.038 1.00 43.24 C ATOM 0 H ILE A 73 1.877 -12.305 -17.905 1.00 0.01 H new ATOM 0 HA ILE A 73 4.190 -14.070 -17.521 1.00 35.34 H new ATOM 0 HB ILE A 73 4.167 -11.035 -17.303 1.00 14.04 H new ATOM 0 HG12 ILE A 73 6.031 -12.907 -18.799 1.00 20.01 H new ATOM 0 HG13 ILE A 73 4.642 -12.126 -19.529 1.00 20.01 H new ATOM 0 HG21 ILE A 73 6.435 -11.228 -16.363 1.00 61.02 H new ATOM 0 HG22 ILE A 73 5.218 -11.977 -15.302 1.00 61.02 H new ATOM 0 HG23 ILE A 73 6.262 -12.999 -16.318 1.00 61.02 H new ATOM 0 HD11 ILE A 73 6.698 -10.896 -20.021 1.00 43.24 H new ATOM 0 HD12 ILE A 73 5.604 -9.910 -19.021 1.00 43.24 H new ATOM 0 HD13 ILE A 73 7.015 -10.704 -18.280 1.00 43.24 H new ATOM 1156 N TYR A 74 3.875 -13.996 -15.006 1.00 11.03 N ATOM 1157 CA TYR A 74 3.499 -14.153 -13.606 1.00 14.12 C ATOM 1158 C TYR A 74 4.727 -14.405 -12.736 1.00 73.14 C ATOM 1159 O TYR A 74 5.359 -15.458 -12.824 1.00 74.15 O ATOM 1160 CB TYR A 74 2.504 -15.304 -13.449 1.00 70.53 C ATOM 1161 CG TYR A 74 1.603 -15.493 -14.648 1.00 74.25 C ATOM 1162 CD1 TYR A 74 1.989 -16.300 -15.712 1.00 53.00 C ATOM 1163 CD2 TYR A 74 0.366 -14.864 -14.719 1.00 32.43 C ATOM 1164 CE1 TYR A 74 1.169 -16.475 -16.810 1.00 52.11 C ATOM 1165 CE2 TYR A 74 -0.461 -15.035 -15.812 1.00 51.21 C ATOM 1166 CZ TYR A 74 -0.055 -15.841 -16.855 1.00 52.32 C ATOM 1167 OH TYR A 74 -0.875 -16.012 -17.947 1.00 14.12 O ATOM 0 H TYR A 74 4.693 -14.537 -15.286 1.00 11.03 H new ATOM 0 HA TYR A 74 3.028 -13.227 -13.277 1.00 14.12 H new ATOM 0 HB2 TYR A 74 3.055 -16.227 -13.270 1.00 70.53 H new ATOM 0 HB3 TYR A 74 1.889 -15.124 -12.568 1.00 70.53 H new ATOM 0 HD1 TYR A 74 2.946 -16.799 -15.680 1.00 53.00 H new ATOM 0 HD2 TYR A 74 0.046 -14.230 -13.905 1.00 32.43 H new ATOM 0 HE1 TYR A 74 1.485 -17.105 -17.629 1.00 52.11 H new ATOM 0 HE2 TYR A 74 -1.420 -14.540 -15.850 1.00 51.21 H new ATOM 0 HH TYR A 74 -1.700 -15.498 -17.820 1.00 14.12 H new ATOM 1177 N PHE A 75 5.059 -13.431 -11.896 1.00 53.30 N ATOM 1178 CA PHE A 75 6.211 -13.545 -11.010 1.00 20.12 C ATOM 1179 C PHE A 75 6.253 -12.385 -10.019 1.00 74.22 C ATOM 1180 O PHE A 75 5.258 -11.687 -9.823 1.00 41.10 O ATOM 1181 CB PHE A 75 7.506 -13.582 -11.824 1.00 51.22 C ATOM 1182 CG PHE A 75 7.907 -12.242 -12.373 1.00 20.42 C ATOM 1183 CD1 PHE A 75 7.050 -11.532 -13.198 1.00 61.22 C ATOM 1184 CD2 PHE A 75 9.141 -11.693 -12.063 1.00 33.22 C ATOM 1185 CE1 PHE A 75 7.417 -10.300 -13.705 1.00 2.00 C ATOM 1186 CE2 PHE A 75 9.513 -10.461 -12.566 1.00 62.03 C ATOM 1187 CZ PHE A 75 8.650 -9.763 -13.388 1.00 33.13 C ATOM 0 H PHE A 75 4.546 -12.553 -11.810 1.00 53.30 H new ATOM 0 HA PHE A 75 6.115 -14.475 -10.450 1.00 20.12 H new ATOM 0 HB2 PHE A 75 8.310 -13.964 -11.195 1.00 51.22 H new ATOM 0 HB3 PHE A 75 7.387 -14.283 -12.650 1.00 51.22 H new ATOM 0 HD1 PHE A 75 6.084 -11.946 -13.448 1.00 61.22 H new ATOM 0 HD2 PHE A 75 9.820 -12.234 -11.421 1.00 33.22 H new ATOM 0 HE1 PHE A 75 6.741 -9.757 -14.349 1.00 2.00 H new ATOM 0 HE2 PHE A 75 10.478 -10.044 -12.317 1.00 62.03 H new ATOM 0 HZ PHE A 75 8.938 -8.800 -13.782 1.00 33.13 H new ATOM 1197 N TRP A 76 7.410 -12.187 -9.398 1.00 34.30 N ATOM 1198 CA TRP A 76 7.581 -11.113 -8.427 1.00 4.41 C ATOM 1199 C TRP A 76 9.034 -10.652 -8.376 1.00 51.23 C ATOM 1200 O TRP A 76 9.956 -11.451 -8.540 1.00 61.35 O ATOM 1201 CB TRP A 76 7.131 -11.574 -7.040 1.00 1.01 C ATOM 1202 CG TRP A 76 6.943 -13.057 -6.940 1.00 34.55 C ATOM 1203 CD1 TRP A 76 7.900 -14.018 -7.101 1.00 31.02 C ATOM 1204 CD2 TRP A 76 5.721 -13.749 -6.657 1.00 41.12 C ATOM 1205 NE1 TRP A 76 7.347 -15.265 -6.936 1.00 20.13 N ATOM 1206 CE2 TRP A 76 6.012 -15.127 -6.662 1.00 20.21 C ATOM 1207 CE3 TRP A 76 4.411 -13.338 -6.399 1.00 33.23 C ATOM 1208 CZ2 TRP A 76 5.040 -16.094 -6.419 1.00 54.35 C ATOM 1209 CZ3 TRP A 76 3.447 -14.299 -6.159 1.00 13.43 C ATOM 1210 CH2 TRP A 76 3.765 -15.663 -6.170 1.00 31.25 C ATOM 0 H TRP A 76 8.243 -12.756 -9.549 1.00 34.30 H new ATOM 0 HA TRP A 76 6.963 -10.272 -8.741 1.00 4.41 H new ATOM 0 HB2 TRP A 76 7.869 -11.258 -6.303 1.00 1.01 H new ATOM 0 HB3 TRP A 76 6.194 -11.078 -6.786 1.00 1.01 H new ATOM 0 HD1 TRP A 76 8.939 -13.826 -7.325 1.00 31.02 H new ATOM 0 HE1 TRP A 76 7.849 -16.150 -7.006 1.00 20.13 H new ATOM 0 HE3 TRP A 76 4.156 -12.289 -6.387 1.00 33.23 H new ATOM 0 HZ2 TRP A 76 5.283 -17.146 -6.427 1.00 54.35 H new ATOM 0 HZ3 TRP A 76 2.431 -13.993 -5.959 1.00 13.43 H new ATOM 0 HH2 TRP A 76 2.989 -16.389 -5.978 1.00 31.25 H new ATOM 1221 N THR A 77 9.232 -9.357 -8.148 1.00 21.23 N ATOM 1222 CA THR A 77 10.573 -8.790 -8.076 1.00 72.14 C ATOM 1223 C THR A 77 10.886 -8.295 -6.669 1.00 63.21 C ATOM 1224 O THR A 77 9.983 -8.074 -5.862 1.00 51.24 O ATOM 1225 CB THR A 77 10.743 -7.624 -9.068 1.00 50.13 C ATOM 1226 OG1 THR A 77 9.601 -6.762 -9.012 1.00 11.04 O ATOM 1227 CG2 THR A 77 10.924 -8.142 -10.487 1.00 74.20 C ATOM 0 H THR A 77 8.480 -8.681 -8.010 1.00 21.23 H new ATOM 0 HA THR A 77 11.268 -9.587 -8.340 1.00 72.14 H new ATOM 0 HB THR A 77 11.635 -7.064 -8.786 1.00 50.13 H new ATOM 0 HG1 THR A 77 9.015 -6.946 -9.775 1.00 11.04 H new ATOM 0 HG21 THR A 77 11.042 -7.300 -11.169 1.00 74.20 H new ATOM 0 HG22 THR A 77 11.811 -8.774 -10.533 1.00 74.20 H new ATOM 0 HG23 THR A 77 10.049 -8.724 -10.776 1.00 74.20 H new ATOM 1235 N PHE A 78 12.172 -8.123 -6.380 1.00 51.23 N ATOM 1236 CA PHE A 78 12.605 -7.654 -5.069 1.00 53.21 C ATOM 1237 C PHE A 78 13.361 -6.334 -5.186 1.00 40.30 C ATOM 1238 O PHE A 78 14.086 -6.104 -6.154 1.00 62.31 O ATOM 1239 CB PHE A 78 13.490 -8.704 -4.395 1.00 41.10 C ATOM 1240 CG PHE A 78 13.029 -9.082 -3.016 1.00 54.45 C ATOM 1241 CD1 PHE A 78 11.946 -9.928 -2.842 1.00 21.44 C ATOM 1242 CD2 PHE A 78 13.677 -8.589 -1.895 1.00 62.14 C ATOM 1243 CE1 PHE A 78 11.519 -10.278 -1.574 1.00 60.34 C ATOM 1244 CE2 PHE A 78 13.255 -8.936 -0.626 1.00 10.21 C ATOM 1245 CZ PHE A 78 12.174 -9.780 -0.465 1.00 71.31 C ATOM 0 H PHE A 78 12.932 -8.301 -7.036 1.00 51.23 H new ATOM 0 HA PHE A 78 11.717 -7.491 -4.458 1.00 53.21 H new ATOM 0 HB2 PHE A 78 13.518 -9.598 -5.018 1.00 41.10 H new ATOM 0 HB3 PHE A 78 14.510 -8.324 -4.337 1.00 41.10 H new ATOM 0 HD1 PHE A 78 11.429 -10.319 -3.706 1.00 21.44 H new ATOM 0 HD2 PHE A 78 14.521 -7.926 -2.014 1.00 62.14 H new ATOM 0 HE1 PHE A 78 10.674 -10.940 -1.451 1.00 60.34 H new ATOM 0 HE2 PHE A 78 13.770 -8.547 0.240 1.00 10.21 H new ATOM 0 HZ PHE A 78 11.841 -10.050 0.526 1.00 71.31 H new ATOM 1255 N VAL A 79 13.186 -5.468 -4.193 1.00 32.15 N ATOM 1256 CA VAL A 79 13.851 -4.171 -4.182 1.00 43.14 C ATOM 1257 C VAL A 79 14.352 -3.821 -2.786 1.00 24.23 C ATOM 1258 O VAL A 79 13.967 -4.452 -1.801 1.00 61.31 O ATOM 1259 CB VAL A 79 12.911 -3.054 -4.673 1.00 42.13 C ATOM 1260 CG1 VAL A 79 13.190 -2.724 -6.132 1.00 14.13 C ATOM 1261 CG2 VAL A 79 11.458 -3.457 -4.477 1.00 74.35 C ATOM 0 H VAL A 79 12.588 -5.642 -3.385 1.00 32.15 H new ATOM 0 HA VAL A 79 14.700 -4.246 -4.861 1.00 43.14 H new ATOM 0 HB VAL A 79 13.099 -2.158 -4.081 1.00 42.13 H new ATOM 0 HG11 VAL A 79 12.516 -1.933 -6.461 1.00 14.13 H new ATOM 0 HG12 VAL A 79 14.222 -2.390 -6.238 1.00 14.13 H new ATOM 0 HG13 VAL A 79 13.032 -3.613 -6.743 1.00 14.13 H new ATOM 0 HG21 VAL A 79 10.808 -2.656 -4.829 1.00 74.35 H new ATOM 0 HG22 VAL A 79 11.253 -4.366 -5.042 1.00 74.35 H new ATOM 0 HG23 VAL A 79 11.270 -3.638 -3.419 1.00 74.35 H new ATOM 1271 N ILE A 80 15.213 -2.812 -2.707 1.00 51.25 N ATOM 1272 CA ILE A 80 15.766 -2.377 -1.431 1.00 14.03 C ATOM 1273 C ILE A 80 15.929 -0.861 -1.390 1.00 64.51 C ATOM 1274 O ILE A 80 16.923 -0.320 -1.874 1.00 45.12 O ATOM 1275 CB ILE A 80 17.129 -3.037 -1.153 1.00 62.15 C ATOM 1276 CG1 ILE A 80 16.980 -4.559 -1.090 1.00 2.53 C ATOM 1277 CG2 ILE A 80 17.723 -2.503 0.141 1.00 13.25 C ATOM 1278 CD1 ILE A 80 18.301 -5.293 -1.035 1.00 64.22 C ATOM 0 H ILE A 80 15.543 -2.280 -3.513 1.00 51.25 H new ATOM 0 HA ILE A 80 15.059 -2.685 -0.660 1.00 14.03 H new ATOM 0 HB ILE A 80 17.808 -2.791 -1.969 1.00 62.15 H new ATOM 0 HG12 ILE A 80 16.390 -4.822 -0.212 1.00 2.53 H new ATOM 0 HG13 ILE A 80 16.421 -4.898 -1.962 1.00 2.53 H new ATOM 0 HG21 ILE A 80 18.686 -2.980 0.323 1.00 13.25 H new ATOM 0 HG22 ILE A 80 17.861 -1.425 0.060 1.00 13.25 H new ATOM 0 HG23 ILE A 80 17.048 -2.721 0.969 1.00 13.25 H new ATOM 0 HD11 ILE A 80 18.119 -6.367 -0.992 1.00 64.22 H new ATOM 0 HD12 ILE A 80 18.884 -5.059 -1.926 1.00 64.22 H new ATOM 0 HD13 ILE A 80 18.853 -4.983 -0.148 1.00 64.22 H new ATOM 1290 N LYS A 81 14.948 -0.181 -0.808 1.00 32.24 N ATOM 1291 CA LYS A 81 14.983 1.272 -0.700 1.00 11.42 C ATOM 1292 C LYS A 81 14.979 1.710 0.762 1.00 61.25 C ATOM 1293 O LYS A 81 14.368 1.062 1.612 1.00 52.15 O ATOM 1294 CB LYS A 81 13.787 1.888 -1.430 1.00 62.44 C ATOM 1295 CG LYS A 81 13.742 3.404 -1.353 1.00 72.14 C ATOM 1296 CD LYS A 81 12.355 3.902 -0.984 1.00 53.20 C ATOM 1297 CE LYS A 81 12.256 5.415 -1.104 1.00 12.32 C ATOM 1298 NZ LYS A 81 10.882 5.854 -1.475 1.00 31.32 N ATOM 0 H LYS A 81 14.118 -0.614 -0.403 1.00 32.24 H new ATOM 0 HA LYS A 81 15.905 1.623 -1.164 1.00 11.42 H new ATOM 0 HB2 LYS A 81 13.817 1.587 -2.477 1.00 62.44 H new ATOM 0 HB3 LYS A 81 12.867 1.484 -1.008 1.00 62.44 H new ATOM 0 HG2 LYS A 81 14.464 3.753 -0.614 1.00 72.14 H new ATOM 0 HG3 LYS A 81 14.038 3.827 -2.313 1.00 72.14 H new ATOM 0 HD2 LYS A 81 11.615 3.435 -1.634 1.00 53.20 H new ATOM 0 HD3 LYS A 81 12.119 3.601 0.036 1.00 53.20 H new ATOM 0 HE2 LYS A 81 12.540 5.874 -0.157 1.00 12.32 H new ATOM 0 HE3 LYS A 81 12.964 5.767 -1.854 1.00 12.32 H new ATOM 0 HZ1 LYS A 81 10.856 6.891 -1.547 1.00 31.32 H new ATOM 0 HZ2 LYS A 81 10.620 5.437 -2.391 1.00 31.32 H new ATOM 0 HZ3 LYS A 81 10.209 5.541 -0.747 1.00 31.32 H new ATOM 1312 N ASP A 82 15.664 2.812 1.046 1.00 15.20 N ATOM 1313 CA ASP A 82 15.737 3.338 2.404 1.00 32.55 C ATOM 1314 C ASP A 82 16.181 2.255 3.383 1.00 63.44 C ATOM 1315 O ASP A 82 15.927 2.345 4.583 1.00 55.42 O ATOM 1316 CB ASP A 82 14.380 3.901 2.830 1.00 20.11 C ATOM 1317 CG ASP A 82 14.449 5.374 3.181 1.00 41.11 C ATOM 1318 OD1 ASP A 82 14.326 6.209 2.261 1.00 52.13 O ATOM 1319 OD2 ASP A 82 14.627 5.692 4.375 1.00 4.35 O ATOM 0 H ASP A 82 16.177 3.358 0.354 1.00 15.20 H new ATOM 0 HA ASP A 82 16.475 4.140 2.417 1.00 32.55 H new ATOM 0 HB2 ASP A 82 13.660 3.756 2.024 1.00 20.11 H new ATOM 0 HB3 ASP A 82 14.012 3.342 3.690 1.00 20.11 H new ATOM 1324 N GLY A 83 16.847 1.229 2.860 1.00 31.00 N ATOM 1325 CA GLY A 83 17.315 0.143 3.701 1.00 61.32 C ATOM 1326 C GLY A 83 16.177 -0.626 4.342 1.00 11.13 C ATOM 1327 O GLY A 83 16.336 -1.202 5.420 1.00 51.54 O ATOM 0 H GLY A 83 17.070 1.131 1.870 1.00 31.00 H new ATOM 0 HA2 GLY A 83 17.920 -0.540 3.104 1.00 61.32 H new ATOM 0 HA3 GLY A 83 17.963 0.544 4.481 1.00 61.32 H new ATOM 1331 N LEU A 84 15.025 -0.635 3.681 1.00 13.22 N ATOM 1332 CA LEU A 84 13.854 -1.337 4.194 1.00 33.33 C ATOM 1333 C LEU A 84 13.685 -2.689 3.507 1.00 11.42 C ATOM 1334 O LEU A 84 13.805 -3.737 4.139 1.00 22.21 O ATOM 1335 CB LEU A 84 12.597 -0.489 3.993 1.00 73.25 C ATOM 1336 CG LEU A 84 12.121 0.305 5.209 1.00 13.42 C ATOM 1337 CD1 LEU A 84 11.151 1.398 4.787 1.00 34.20 C ATOM 1338 CD2 LEU A 84 11.474 -0.619 6.230 1.00 22.24 C ATOM 0 H LEU A 84 14.877 -0.164 2.788 1.00 13.22 H new ATOM 0 HA LEU A 84 14.002 -1.508 5.260 1.00 33.33 H new ATOM 0 HB2 LEU A 84 12.781 0.210 3.177 1.00 73.25 H new ATOM 0 HB3 LEU A 84 11.788 -1.145 3.673 1.00 73.25 H new ATOM 0 HG LEU A 84 12.988 0.776 5.673 1.00 13.42 H new ATOM 0 HD11 LEU A 84 10.823 1.953 5.666 1.00 34.20 H new ATOM 0 HD12 LEU A 84 11.647 2.077 4.094 1.00 34.20 H new ATOM 0 HD13 LEU A 84 10.287 0.949 4.298 1.00 34.20 H new ATOM 0 HD21 LEU A 84 11.141 -0.036 7.089 1.00 22.24 H new ATOM 0 HD22 LEU A 84 10.618 -1.119 5.777 1.00 22.24 H new ATOM 0 HD23 LEU A 84 12.199 -1.365 6.557 1.00 22.24 H new ATOM 1350 N GLY A 85 13.407 -2.655 2.207 1.00 22.32 N ATOM 1351 CA GLY A 85 13.229 -3.884 1.455 1.00 13.41 C ATOM 1352 C GLY A 85 11.787 -4.109 1.046 1.00 15.34 C ATOM 1353 O GLY A 85 10.889 -4.115 1.889 1.00 31.32 O ATOM 0 H GLY A 85 13.302 -1.799 1.662 1.00 22.32 H new ATOM 0 HA2 GLY A 85 13.856 -3.855 0.564 1.00 13.41 H new ATOM 0 HA3 GLY A 85 13.569 -4.727 2.057 1.00 13.41 H new ATOM 1357 N TYR A 86 11.563 -4.292 -0.250 1.00 74.00 N ATOM 1358 CA TYR A 86 10.218 -4.514 -0.770 1.00 25.35 C ATOM 1359 C TYR A 86 10.214 -5.631 -1.809 1.00 32.23 C ATOM 1360 O TYR A 86 11.259 -6.193 -2.138 1.00 11.43 O ATOM 1361 CB TYR A 86 9.668 -3.227 -1.386 1.00 31.04 C ATOM 1362 CG TYR A 86 9.627 -2.063 -0.421 1.00 63.22 C ATOM 1363 CD1 TYR A 86 10.800 -1.482 0.046 1.00 32.25 C ATOM 1364 CD2 TYR A 86 8.417 -1.545 0.023 1.00 22.31 C ATOM 1365 CE1 TYR A 86 10.768 -0.419 0.928 1.00 32.23 C ATOM 1366 CE2 TYR A 86 8.376 -0.482 0.904 1.00 54.45 C ATOM 1367 CZ TYR A 86 9.553 0.078 1.353 1.00 24.24 C ATOM 1368 OH TYR A 86 9.516 1.137 2.232 1.00 63.44 O ATOM 0 H TYR A 86 12.295 -4.291 -0.960 1.00 74.00 H new ATOM 0 HA TYR A 86 9.579 -4.813 0.061 1.00 25.35 H new ATOM 0 HB2 TYR A 86 10.281 -2.954 -2.245 1.00 31.04 H new ATOM 0 HB3 TYR A 86 8.661 -3.414 -1.759 1.00 31.04 H new ATOM 0 HD1 TYR A 86 11.752 -1.868 -0.286 1.00 32.25 H new ATOM 0 HD2 TYR A 86 7.493 -1.981 -0.327 1.00 22.31 H new ATOM 0 HE1 TYR A 86 11.689 0.020 1.283 1.00 32.23 H new ATOM 0 HE2 TYR A 86 7.427 -0.091 1.239 1.00 54.45 H new ATOM 0 HH TYR A 86 8.584 1.365 2.430 1.00 63.44 H new ATOM 1378 N ARG A 87 9.030 -5.948 -2.322 1.00 54.32 N ATOM 1379 CA ARG A 87 8.887 -6.998 -3.324 1.00 1.43 C ATOM 1380 C ARG A 87 7.533 -6.904 -4.021 1.00 40.40 C ATOM 1381 O ARG A 87 6.488 -6.925 -3.372 1.00 32.22 O ATOM 1382 CB ARG A 87 9.045 -8.375 -2.676 1.00 53.51 C ATOM 1383 CG ARG A 87 8.586 -9.521 -3.563 1.00 2.32 C ATOM 1384 CD ARG A 87 7.527 -10.368 -2.875 1.00 53.42 C ATOM 1385 NE ARG A 87 6.359 -9.579 -2.492 1.00 51.53 N ATOM 1386 CZ ARG A 87 6.155 -9.116 -1.264 1.00 2.11 C ATOM 1387 NH1 ARG A 87 7.037 -9.362 -0.305 1.00 13.23 N ATOM 1388 NH2 ARG A 87 5.068 -8.405 -0.993 1.00 72.22 N ATOM 0 H ARG A 87 8.155 -5.493 -2.060 1.00 54.32 H new ATOM 0 HA ARG A 87 9.670 -6.863 -4.070 1.00 1.43 H new ATOM 0 HB2 ARG A 87 10.092 -8.526 -2.414 1.00 53.51 H new ATOM 0 HB3 ARG A 87 8.477 -8.397 -1.746 1.00 53.51 H new ATOM 0 HG2 ARG A 87 8.186 -9.123 -4.496 1.00 2.32 H new ATOM 0 HG3 ARG A 87 9.440 -10.146 -3.824 1.00 2.32 H new ATOM 0 HD2 ARG A 87 7.218 -11.173 -3.541 1.00 53.42 H new ATOM 0 HD3 ARG A 87 7.956 -10.835 -1.988 1.00 53.42 H new ATOM 0 HE ARG A 87 5.662 -9.372 -3.207 1.00 51.53 H new ATOM 0 HH11 ARG A 87 7.874 -9.908 -0.510 1.00 13.23 H new ATOM 0 HH12 ARG A 87 6.878 -9.005 0.637 1.00 13.23 H new ATOM 0 HH21 ARG A 87 4.388 -8.213 -1.728 1.00 72.22 H new ATOM 0 HH22 ARG A 87 4.913 -8.050 -0.049 1.00 72.22 H new ATOM 1402 N GLN A 88 7.561 -6.799 -5.346 1.00 4.33 N ATOM 1403 CA GLN A 88 6.336 -6.700 -6.130 1.00 62.10 C ATOM 1404 C GLN A 88 5.380 -7.838 -5.791 1.00 34.42 C ATOM 1405 O GLN A 88 5.626 -8.615 -4.868 1.00 31.20 O ATOM 1406 CB GLN A 88 6.660 -6.718 -7.625 1.00 32.40 C ATOM 1407 CG GLN A 88 6.025 -5.574 -8.399 1.00 25.12 C ATOM 1408 CD GLN A 88 6.757 -5.267 -9.691 1.00 34.31 C ATOM 1409 OE1 GLN A 88 7.555 -6.072 -10.172 1.00 5.43 O ATOM 1410 NE2 GLN A 88 6.486 -4.099 -10.261 1.00 45.13 N ATOM 0 H GLN A 88 8.418 -6.780 -5.898 1.00 4.33 H new ATOM 0 HA GLN A 88 5.850 -5.756 -5.882 1.00 62.10 H new ATOM 0 HB2 GLN A 88 7.742 -6.677 -7.754 1.00 32.40 H new ATOM 0 HB3 GLN A 88 6.324 -7.664 -8.050 1.00 32.40 H new ATOM 0 HG2 GLN A 88 4.988 -5.824 -8.624 1.00 25.12 H new ATOM 0 HG3 GLN A 88 6.010 -4.681 -7.774 1.00 25.12 H new ATOM 0 HE21 GLN A 88 5.817 -3.463 -9.827 1.00 45.13 H new ATOM 0 HE22 GLN A 88 6.946 -3.838 -11.133 1.00 45.13 H new ATOM 1419 N ASP A 89 4.288 -7.931 -6.542 1.00 40.22 N ATOM 1420 CA ASP A 89 3.294 -8.975 -6.322 1.00 1.13 C ATOM 1421 C ASP A 89 2.272 -9.000 -7.454 1.00 62.30 C ATOM 1422 O ASP A 89 2.480 -8.395 -8.504 1.00 41.34 O ATOM 1423 CB ASP A 89 2.586 -8.760 -4.983 1.00 54.24 C ATOM 1424 CG ASP A 89 2.835 -9.893 -4.007 1.00 43.24 C ATOM 1425 OD1 ASP A 89 2.794 -11.065 -4.436 1.00 52.33 O ATOM 1426 OD2 ASP A 89 3.071 -9.608 -2.814 1.00 43.45 O ATOM 0 H ASP A 89 4.069 -7.295 -7.309 1.00 40.22 H new ATOM 0 HA ASP A 89 3.810 -9.935 -6.302 1.00 1.13 H new ATOM 0 HB2 ASP A 89 2.926 -7.823 -4.542 1.00 54.24 H new ATOM 0 HB3 ASP A 89 1.514 -8.661 -5.154 1.00 54.24 H new ATOM 1431 N ASN A 90 1.168 -9.706 -7.232 1.00 62.53 N ATOM 1432 CA ASN A 90 0.114 -9.812 -8.235 1.00 24.31 C ATOM 1433 C ASN A 90 0.434 -10.909 -9.246 1.00 73.21 C ATOM 1434 O ASN A 90 -0.465 -11.566 -9.770 1.00 50.21 O ATOM 1435 CB ASN A 90 -0.068 -8.475 -8.956 1.00 60.54 C ATOM 1436 CG ASN A 90 -1.522 -8.183 -9.272 1.00 40.44 C ATOM 1437 OD1 ASN A 90 -1.960 -8.318 -10.415 1.00 42.30 O ATOM 1438 ND2 ASN A 90 -2.278 -7.779 -8.258 1.00 40.10 N ATOM 0 H ASN A 90 0.980 -10.213 -6.367 1.00 62.53 H new ATOM 0 HA ASN A 90 -0.814 -10.072 -7.726 1.00 24.31 H new ATOM 0 HB2 ASN A 90 0.335 -7.673 -8.337 1.00 60.54 H new ATOM 0 HB3 ASN A 90 0.508 -8.483 -9.881 1.00 60.54 H new ATOM 0 HD21 ASN A 90 -3.264 -7.567 -8.410 1.00 40.10 H new ATOM 0 HD22 ASN A 90 -1.873 -7.681 -7.327 1.00 40.10 H new ATOM 1445 N GLY A 91 1.722 -11.102 -9.515 1.00 34.20 N ATOM 1446 CA GLY A 91 2.137 -12.121 -10.462 1.00 2.52 C ATOM 1447 C GLY A 91 1.148 -12.295 -11.597 1.00 43.43 C ATOM 1448 O GLY A 91 0.574 -13.369 -11.769 1.00 31.14 O ATOM 0 H GLY A 91 2.485 -10.571 -9.094 1.00 34.20 H new ATOM 0 HA2 GLY A 91 3.112 -11.857 -10.871 1.00 2.52 H new ATOM 0 HA3 GLY A 91 2.257 -13.070 -9.940 1.00 2.52 H new ATOM 1452 N GLU A 92 0.948 -11.234 -12.374 1.00 24.12 N ATOM 1453 CA GLU A 92 0.020 -11.275 -13.497 1.00 74.01 C ATOM 1454 C GLU A 92 0.194 -10.052 -14.392 1.00 45.35 C ATOM 1455 O GLU A 92 -0.201 -8.944 -14.031 1.00 54.52 O ATOM 1456 CB GLU A 92 -1.423 -11.349 -12.992 1.00 70.25 C ATOM 1457 CG GLU A 92 -2.453 -11.445 -14.105 1.00 70.04 C ATOM 1458 CD GLU A 92 -3.875 -11.297 -13.599 1.00 24.41 C ATOM 1459 OE1 GLU A 92 -4.327 -10.147 -13.425 1.00 4.51 O ATOM 1460 OE2 GLU A 92 -4.535 -12.334 -13.377 1.00 13.21 O ATOM 0 H GLU A 92 1.416 -10.337 -12.246 1.00 24.12 H new ATOM 0 HA GLU A 92 0.239 -12.167 -14.084 1.00 74.01 H new ATOM 0 HB2 GLU A 92 -1.526 -12.214 -12.337 1.00 70.25 H new ATOM 0 HB3 GLU A 92 -1.634 -10.466 -12.389 1.00 70.25 H new ATOM 0 HG2 GLU A 92 -2.253 -10.672 -14.847 1.00 70.04 H new ATOM 0 HG3 GLU A 92 -2.349 -12.406 -14.609 1.00 70.04 H new ATOM 1467 N TRP A 93 0.790 -10.262 -15.561 1.00 2.44 N ATOM 1468 CA TRP A 93 1.018 -9.176 -16.508 1.00 25.31 C ATOM 1469 C TRP A 93 0.889 -9.671 -17.944 1.00 61.12 C ATOM 1470 O TRP A 93 1.676 -10.502 -18.399 1.00 43.22 O ATOM 1471 CB TRP A 93 2.403 -8.564 -16.289 1.00 52.32 C ATOM 1472 CG TRP A 93 2.535 -7.846 -14.980 1.00 55.43 C ATOM 1473 CD1 TRP A 93 2.146 -6.566 -14.705 1.00 13.31 C ATOM 1474 CD2 TRP A 93 3.095 -8.366 -13.770 1.00 44.31 C ATOM 1475 NE1 TRP A 93 2.431 -6.259 -13.396 1.00 42.23 N ATOM 1476 CE2 TRP A 93 3.013 -7.347 -12.801 1.00 43.41 C ATOM 1477 CE3 TRP A 93 3.657 -9.594 -13.410 1.00 0.41 C ATOM 1478 CZ2 TRP A 93 3.473 -7.520 -11.498 1.00 42.34 C ATOM 1479 CZ3 TRP A 93 4.113 -9.764 -12.117 1.00 2.33 C ATOM 1480 CH2 TRP A 93 4.019 -8.732 -11.173 1.00 55.13 C ATOM 0 H TRP A 93 1.124 -11.173 -15.875 1.00 2.44 H new ATOM 0 HA TRP A 93 0.260 -8.412 -16.337 1.00 25.31 H new ATOM 0 HB2 TRP A 93 3.153 -9.353 -16.340 1.00 52.32 H new ATOM 0 HB3 TRP A 93 2.617 -7.868 -17.100 1.00 52.32 H new ATOM 0 HD1 TRP A 93 1.683 -5.894 -15.412 1.00 13.31 H new ATOM 0 HE1 TRP A 93 2.240 -5.366 -12.941 1.00 42.23 H new ATOM 0 HE3 TRP A 93 3.733 -10.396 -14.130 1.00 0.41 H new ATOM 0 HZ2 TRP A 93 3.401 -6.726 -10.770 1.00 42.34 H new ATOM 0 HZ3 TRP A 93 4.550 -10.709 -11.828 1.00 2.33 H new ATOM 0 HH2 TRP A 93 4.384 -8.897 -10.170 1.00 55.13 H new ATOM 1491 N THR A 94 -0.109 -9.156 -18.656 1.00 1.03 N ATOM 1492 CA THR A 94 -0.342 -9.546 -20.040 1.00 65.54 C ATOM 1493 C THR A 94 0.476 -8.687 -20.999 1.00 35.44 C ATOM 1494 O THR A 94 0.505 -7.463 -20.879 1.00 2.53 O ATOM 1495 CB THR A 94 -1.832 -9.435 -20.413 1.00 31.03 C ATOM 1496 OG1 THR A 94 -2.622 -10.219 -19.512 1.00 10.14 O ATOM 1497 CG2 THR A 94 -2.069 -9.902 -21.841 1.00 14.01 C ATOM 0 H THR A 94 -0.769 -8.467 -18.296 1.00 1.03 H new ATOM 0 HA THR A 94 -0.029 -10.586 -20.131 1.00 65.54 H new ATOM 0 HB THR A 94 -2.126 -8.388 -20.337 1.00 31.03 H new ATOM 0 HG1 THR A 94 -3.568 -10.142 -19.755 1.00 10.14 H new ATOM 0 HG21 THR A 94 -3.129 -9.814 -22.081 1.00 14.01 H new ATOM 0 HG22 THR A 94 -1.489 -9.284 -22.527 1.00 14.01 H new ATOM 0 HG23 THR A 94 -1.760 -10.942 -21.940 1.00 14.01 H new ATOM 1505 N VAL A 95 1.138 -9.337 -21.951 1.00 34.13 N ATOM 1506 CA VAL A 95 1.954 -8.632 -22.931 1.00 42.14 C ATOM 1507 C VAL A 95 1.101 -7.712 -23.797 1.00 51.22 C ATOM 1508 O VAL A 95 0.345 -8.173 -24.652 1.00 10.14 O ATOM 1509 CB VAL A 95 2.714 -9.616 -23.841 1.00 13.10 C ATOM 1510 CG1 VAL A 95 3.706 -8.872 -24.721 1.00 43.03 C ATOM 1511 CG2 VAL A 95 3.418 -10.676 -23.008 1.00 33.13 C ATOM 0 H VAL A 95 1.125 -10.351 -22.064 1.00 34.13 H new ATOM 0 HA VAL A 95 2.674 -8.035 -22.372 1.00 42.14 H new ATOM 0 HB VAL A 95 1.994 -10.115 -24.489 1.00 13.10 H new ATOM 0 HG11 VAL A 95 4.233 -9.583 -25.357 1.00 43.03 H new ATOM 0 HG12 VAL A 95 3.173 -8.154 -25.344 1.00 43.03 H new ATOM 0 HG13 VAL A 95 4.424 -8.344 -24.094 1.00 43.03 H new ATOM 0 HG21 VAL A 95 3.950 -11.363 -23.667 1.00 33.13 H new ATOM 0 HG22 VAL A 95 4.128 -10.197 -22.334 1.00 33.13 H new ATOM 0 HG23 VAL A 95 2.681 -11.229 -22.425 1.00 33.13 H new ATOM 1521 N GLU A 96 1.228 -6.408 -23.570 1.00 24.21 N ATOM 1522 CA GLU A 96 0.468 -5.423 -24.330 1.00 31.02 C ATOM 1523 C GLU A 96 1.396 -4.389 -24.962 1.00 35.21 C ATOM 1524 O GLU A 96 0.941 -3.418 -25.565 1.00 42.01 O ATOM 1525 CB GLU A 96 -0.551 -4.725 -23.427 1.00 31.34 C ATOM 1526 CG GLU A 96 -1.653 -5.645 -22.929 1.00 14.04 C ATOM 1527 CD GLU A 96 -2.806 -4.887 -22.300 1.00 55.34 C ATOM 1528 OE1 GLU A 96 -3.566 -4.235 -23.047 1.00 60.32 O ATOM 1529 OE2 GLU A 96 -2.949 -4.945 -21.061 1.00 31.40 O ATOM 0 H GLU A 96 1.850 -6.010 -22.866 1.00 24.21 H new ATOM 0 HA GLU A 96 -0.061 -5.946 -25.127 1.00 31.02 H new ATOM 0 HB2 GLU A 96 -0.031 -4.297 -22.570 1.00 31.34 H new ATOM 0 HB3 GLU A 96 -1.001 -3.896 -23.974 1.00 31.34 H new ATOM 0 HG2 GLU A 96 -2.026 -6.242 -23.761 1.00 14.04 H new ATOM 0 HG3 GLU A 96 -1.239 -6.340 -22.199 1.00 14.04 H new ATOM 1536 N GLY A 97 2.700 -4.606 -24.818 1.00 75.10 N ATOM 1537 CA GLY A 97 3.671 -3.685 -25.379 1.00 30.50 C ATOM 1538 C GLY A 97 4.548 -4.337 -26.430 1.00 31.02 C ATOM 1539 O GLY A 97 4.400 -5.523 -26.724 1.00 30.55 O ATOM 0 H GLY A 97 3.101 -5.403 -24.323 1.00 75.10 H new ATOM 0 HA2 GLY A 97 3.149 -2.836 -25.821 1.00 30.50 H new ATOM 0 HA3 GLY A 97 4.299 -3.292 -24.579 1.00 30.50 H new ATOM 1543 N PHE A 98 5.463 -3.560 -26.999 1.00 40.23 N ATOM 1544 CA PHE A 98 6.366 -4.068 -28.026 1.00 13.31 C ATOM 1545 C PHE A 98 7.673 -3.280 -28.039 1.00 34.20 C ATOM 1546 O PHE A 98 7.720 -2.126 -27.612 1.00 74.42 O ATOM 1547 CB PHE A 98 5.700 -3.995 -29.402 1.00 32.55 C ATOM 1548 CG PHE A 98 5.791 -5.277 -30.180 1.00 3.22 C ATOM 1549 CD1 PHE A 98 5.389 -6.476 -29.615 1.00 73.20 C ATOM 1550 CD2 PHE A 98 6.280 -5.282 -31.476 1.00 45.12 C ATOM 1551 CE1 PHE A 98 5.471 -7.657 -30.329 1.00 22.14 C ATOM 1552 CE2 PHE A 98 6.365 -6.459 -32.195 1.00 31.53 C ATOM 1553 CZ PHE A 98 5.961 -7.649 -31.620 1.00 10.32 C ATOM 0 H PHE A 98 5.599 -2.576 -26.767 1.00 40.23 H new ATOM 0 HA PHE A 98 6.592 -5.109 -27.794 1.00 13.31 H new ATOM 0 HB2 PHE A 98 4.650 -3.730 -29.275 1.00 32.55 H new ATOM 0 HB3 PHE A 98 6.164 -3.195 -29.979 1.00 32.55 H new ATOM 0 HD1 PHE A 98 5.007 -6.488 -28.605 1.00 73.20 H new ATOM 0 HD2 PHE A 98 6.599 -4.355 -31.930 1.00 45.12 H new ATOM 0 HE1 PHE A 98 5.152 -8.585 -29.878 1.00 22.14 H new ATOM 0 HE2 PHE A 98 6.747 -6.449 -33.205 1.00 31.53 H new ATOM 0 HZ PHE A 98 6.028 -8.571 -32.179 1.00 10.32 H new ATOM 1563 N VAL A 99 8.733 -3.913 -28.532 1.00 12.33 N ATOM 1564 CA VAL A 99 10.041 -3.273 -28.601 1.00 51.54 C ATOM 1565 C VAL A 99 10.978 -4.036 -29.530 1.00 72.43 C ATOM 1566 O VAL A 99 10.581 -5.017 -30.160 1.00 53.11 O ATOM 1567 CB VAL A 99 10.690 -3.168 -27.208 1.00 54.04 C ATOM 1568 CG1 VAL A 99 10.569 -1.751 -26.668 1.00 20.31 C ATOM 1569 CG2 VAL A 99 10.059 -4.168 -26.251 1.00 62.11 C ATOM 0 H VAL A 99 8.711 -4.868 -28.889 1.00 12.33 H new ATOM 0 HA VAL A 99 9.881 -2.269 -28.995 1.00 51.54 H new ATOM 0 HB VAL A 99 11.750 -3.406 -27.300 1.00 54.04 H new ATOM 0 HG11 VAL A 99 11.033 -1.696 -25.683 1.00 20.31 H new ATOM 0 HG12 VAL A 99 11.071 -1.060 -27.345 1.00 20.31 H new ATOM 0 HG13 VAL A 99 9.516 -1.481 -26.589 1.00 20.31 H new ATOM 0 HG21 VAL A 99 10.529 -4.081 -25.271 1.00 62.11 H new ATOM 0 HG22 VAL A 99 8.992 -3.963 -26.161 1.00 62.11 H new ATOM 0 HG23 VAL A 99 10.203 -5.178 -26.634 1.00 62.11 H new ATOM 1579 N ASP A 100 12.223 -3.581 -29.610 1.00 62.23 N ATOM 1580 CA ASP A 100 13.219 -4.223 -30.461 1.00 54.34 C ATOM 1581 C ASP A 100 14.587 -4.230 -29.787 1.00 33.44 C ATOM 1582 O ASP A 100 15.061 -3.198 -29.313 1.00 61.44 O ATOM 1583 CB ASP A 100 13.305 -3.506 -31.810 1.00 63.50 C ATOM 1584 CG ASP A 100 11.976 -3.479 -32.538 1.00 34.33 C ATOM 1585 OD1 ASP A 100 11.674 -4.453 -33.260 1.00 10.13 O ATOM 1586 OD2 ASP A 100 11.236 -2.485 -32.385 1.00 2.14 O ATOM 0 H ASP A 100 12.567 -2.770 -29.096 1.00 62.23 H new ATOM 0 HA ASP A 100 12.910 -5.255 -30.625 1.00 54.34 H new ATOM 0 HB2 ASP A 100 13.651 -2.484 -31.653 1.00 63.50 H new ATOM 0 HB3 ASP A 100 14.048 -4.002 -32.435 1.00 63.50 H new ATOM 1591 N GLU A 101 15.214 -5.402 -29.746 1.00 3.43 N ATOM 1592 CA GLU A 101 16.527 -5.543 -29.127 1.00 10.13 C ATOM 1593 C GLU A 101 17.628 -5.076 -30.074 1.00 43.50 C ATOM 1594 O GLU A 101 18.529 -5.839 -30.420 1.00 71.15 O ATOM 1595 CB GLU A 101 16.771 -6.998 -28.722 1.00 73.33 C ATOM 1596 CG GLU A 101 17.641 -7.149 -27.486 1.00 14.24 C ATOM 1597 CD GLU A 101 17.088 -6.399 -26.289 1.00 31.42 C ATOM 1598 OE1 GLU A 101 17.407 -5.201 -26.141 1.00 53.23 O ATOM 1599 OE2 GLU A 101 16.337 -7.011 -25.500 1.00 43.42 O ATOM 0 H GLU A 101 14.835 -6.266 -30.133 1.00 3.43 H new ATOM 0 HA GLU A 101 16.549 -4.917 -28.235 1.00 10.13 H new ATOM 0 HB2 GLU A 101 15.811 -7.482 -28.541 1.00 73.33 H new ATOM 0 HB3 GLU A 101 17.241 -7.523 -29.553 1.00 73.33 H new ATOM 0 HG2 GLU A 101 17.732 -8.206 -27.237 1.00 14.24 H new ATOM 0 HG3 GLU A 101 18.645 -6.785 -27.706 1.00 14.24 H new ATOM 1606 N ALA A 102 17.548 -3.816 -30.489 1.00 41.34 N ATOM 1607 CA ALA A 102 18.538 -3.245 -31.395 1.00 74.40 C ATOM 1608 C ALA A 102 19.220 -2.034 -30.770 1.00 2.43 C ATOM 1609 O ALA A 102 19.801 -2.126 -29.687 1.00 53.04 O ATOM 1610 CB ALA A 102 17.886 -2.863 -32.716 1.00 22.51 C ATOM 0 H ALA A 102 16.808 -3.171 -30.212 1.00 41.34 H new ATOM 0 HA ALA A 102 19.300 -4.001 -31.584 1.00 74.40 H new ATOM 0 HB1 ALA A 102 18.636 -2.438 -33.383 1.00 22.51 H new ATOM 0 HB2 ALA A 102 17.451 -3.750 -33.177 1.00 22.51 H new ATOM 0 HB3 ALA A 102 17.103 -2.127 -32.536 1.00 22.51 H new TER 1616 ALA A 102