USER MOD reduce.3.24.130724 H: found=0, std=0, add=831, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 829 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 46 CYS SG : rot 1:sc= 0.103 USER MOD Set 1.2: A 48 THR OG1 : rot 94:sc= 0.269 USER MOD Set 2.1: A 38 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 42 LYS NZ :NH3+ 151:sc= 0.155 (180deg=-0.00351) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= -0.114 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ -167:sc= 0.00136 (180deg=0) USER MOD Single : A 18 HIS : no HD1:sc= -1.03 K(o=-1,f=-3.9!) USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0.00088 USER MOD Single : A 30 GLN : amide:sc= -5.11! C(o=-5.1!,f=-12!) USER MOD Single : A 33 TYR OH : rot -72:sc= 0.314 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -2.63 K(o=-2.6,f=-6.1!) USER MOD Single : A 45 ASN : amide:sc= 0.0691 K(o=0.069,f=-1.1) USER MOD Single : A 47 ASN : amide:sc= 0.476 K(o=0.48,f=-0.5) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= -1.51 K(o=-1.5,f=-2!) USER MOD Single : A 61 LYS NZ :NH3+ 149:sc= 0.488 (180deg=-1.38!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot -130:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0.0356 USER MOD Single : A 75 GLN : amide:sc= -0.0193 K(o=-0.019,f=-2.8!) USER MOD Single : A 77 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=-0.0074) USER MOD Single : A 80 TYR OH : rot 180:sc= -0.115 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN : amide:sc= -0.481 K(o=-0.48,f=-4.6!) USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.0474) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 SER OG : rot 16:sc= 0.14! USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -22.019 17.524 -21.933 1.00 0.00 N ATOM 2 CA GLY A 1 -20.928 18.479 -21.875 1.00 0.00 C ATOM 3 C GLY A 1 -20.700 19.014 -20.475 1.00 0.00 C ATOM 4 O GLY A 1 -21.584 19.640 -19.891 1.00 0.00 O ATOM 0 H1 GLY A 1 -22.135 17.188 -22.910 1.00 0.00 H new ATOM 0 H2 GLY A 1 -21.807 16.717 -21.312 1.00 0.00 H new ATOM 0 H3 GLY A 1 -22.898 17.982 -21.618 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -20.014 18.004 -22.233 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -21.140 19.310 -22.548 1.00 0.00 H new ATOM 8 N SER A 2 -19.511 18.765 -19.934 1.00 0.00 N ATOM 9 CA SER A 2 -19.172 19.222 -18.592 1.00 0.00 C ATOM 10 C SER A 2 -19.498 20.703 -18.423 1.00 0.00 C ATOM 11 O SER A 2 -19.821 21.393 -19.390 1.00 0.00 O ATOM 12 CB SER A 2 -17.688 18.980 -18.308 1.00 0.00 C ATOM 13 OG SER A 2 -17.465 17.657 -17.850 1.00 0.00 O ATOM 0 H SER A 2 -18.767 18.250 -20.405 1.00 0.00 H new ATOM 0 HA SER A 2 -19.769 18.653 -17.880 1.00 0.00 H new ATOM 0 HB2 SER A 2 -17.108 19.157 -19.213 1.00 0.00 H new ATOM 0 HB3 SER A 2 -17.337 19.691 -17.560 1.00 0.00 H new ATOM 0 HG SER A 2 -16.509 17.527 -17.677 1.00 0.00 H new ATOM 19 N SER A 3 -19.413 21.184 -17.186 1.00 0.00 N ATOM 20 CA SER A 3 -19.703 22.581 -16.888 1.00 0.00 C ATOM 21 C SER A 3 -18.528 23.239 -16.171 1.00 0.00 C ATOM 22 O SER A 3 -18.231 22.920 -15.020 1.00 0.00 O ATOM 23 CB SER A 3 -20.964 22.690 -16.030 1.00 0.00 C ATOM 24 OG SER A 3 -22.099 22.203 -16.727 1.00 0.00 O ATOM 0 H SER A 3 -19.146 20.626 -16.375 1.00 0.00 H new ATOM 0 HA SER A 3 -19.868 23.101 -17.831 1.00 0.00 H new ATOM 0 HB2 SER A 3 -20.830 22.125 -15.107 1.00 0.00 H new ATOM 0 HB3 SER A 3 -21.126 23.730 -15.746 1.00 0.00 H new ATOM 0 HG SER A 3 -22.892 22.282 -16.157 1.00 0.00 H new ATOM 30 N GLY A 4 -17.862 24.160 -16.861 1.00 0.00 N ATOM 31 CA GLY A 4 -16.726 24.849 -16.275 1.00 0.00 C ATOM 32 C GLY A 4 -15.537 23.933 -16.068 1.00 0.00 C ATOM 33 O GLY A 4 -14.973 23.409 -17.029 1.00 0.00 O ATOM 0 H GLY A 4 -18.088 24.441 -17.815 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -16.435 25.677 -16.921 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -17.020 25.279 -15.318 1.00 0.00 H new ATOM 37 N SER A 5 -15.152 23.740 -14.810 1.00 0.00 N ATOM 38 CA SER A 5 -14.017 22.885 -14.480 1.00 0.00 C ATOM 39 C SER A 5 -14.471 21.659 -13.694 1.00 0.00 C ATOM 40 O SER A 5 -15.632 21.558 -13.296 1.00 0.00 O ATOM 41 CB SER A 5 -12.980 23.668 -13.673 1.00 0.00 C ATOM 42 OG SER A 5 -11.780 22.928 -13.530 1.00 0.00 O ATOM 0 H SER A 5 -15.609 24.164 -14.003 1.00 0.00 H new ATOM 0 HA SER A 5 -13.563 22.549 -15.412 1.00 0.00 H new ATOM 0 HB2 SER A 5 -12.769 24.616 -14.168 1.00 0.00 H new ATOM 0 HB3 SER A 5 -13.384 23.905 -12.689 1.00 0.00 H new ATOM 0 HG SER A 5 -11.133 23.451 -13.012 1.00 0.00 H new ATOM 48 N SER A 6 -13.547 20.730 -13.473 1.00 0.00 N ATOM 49 CA SER A 6 -13.852 19.508 -12.737 1.00 0.00 C ATOM 50 C SER A 6 -12.955 19.375 -11.510 1.00 0.00 C ATOM 51 O SER A 6 -11.740 19.547 -11.594 1.00 0.00 O ATOM 52 CB SER A 6 -13.681 18.287 -13.643 1.00 0.00 C ATOM 53 OG SER A 6 -14.327 17.151 -13.094 1.00 0.00 O ATOM 0 H SER A 6 -12.581 20.800 -13.793 1.00 0.00 H new ATOM 0 HA SER A 6 -14.888 19.562 -12.403 1.00 0.00 H new ATOM 0 HB2 SER A 6 -14.092 18.502 -14.630 1.00 0.00 H new ATOM 0 HB3 SER A 6 -12.620 18.076 -13.778 1.00 0.00 H new ATOM 0 HG SER A 6 -14.205 16.384 -13.692 1.00 0.00 H new ATOM 59 N GLY A 7 -13.566 19.068 -10.369 1.00 0.00 N ATOM 60 CA GLY A 7 -12.809 18.917 -9.140 1.00 0.00 C ATOM 61 C GLY A 7 -12.003 17.634 -9.110 1.00 0.00 C ATOM 62 O GLY A 7 -12.529 16.554 -9.384 1.00 0.00 O ATOM 0 H GLY A 7 -14.571 18.921 -10.274 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -12.137 19.767 -9.024 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -13.493 18.933 -8.291 1.00 0.00 H new ATOM 66 N LEU A 8 -10.722 17.750 -8.778 1.00 0.00 N ATOM 67 CA LEU A 8 -9.840 16.589 -8.714 1.00 0.00 C ATOM 68 C LEU A 8 -9.794 16.017 -7.301 1.00 0.00 C ATOM 69 O LEU A 8 -9.898 14.806 -7.107 1.00 0.00 O ATOM 70 CB LEU A 8 -8.430 16.970 -9.168 1.00 0.00 C ATOM 71 CG LEU A 8 -7.577 15.834 -9.733 1.00 0.00 C ATOM 72 CD1 LEU A 8 -7.470 14.696 -8.729 1.00 0.00 C ATOM 73 CD2 LEU A 8 -8.158 15.334 -11.048 1.00 0.00 C ATOM 0 H LEU A 8 -10.271 18.636 -8.549 1.00 0.00 H new ATOM 0 HA LEU A 8 -10.237 15.825 -9.383 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -8.512 17.748 -9.927 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -7.902 17.407 -8.320 1.00 0.00 H new ATOM 0 HG LEU A 8 -6.575 16.218 -9.924 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -6.859 13.897 -9.149 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -7.008 15.062 -7.812 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -8.466 14.313 -8.506 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -7.538 14.526 -11.436 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -9.171 14.967 -10.882 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -8.182 16.151 -11.769 1.00 0.00 H new ATOM 85 N ALA A 9 -9.640 16.897 -6.317 1.00 0.00 N ATOM 86 CA ALA A 9 -9.584 16.480 -4.921 1.00 0.00 C ATOM 87 C ALA A 9 -10.809 15.652 -4.546 1.00 0.00 C ATOM 88 O ALA A 9 -10.696 14.632 -3.869 1.00 0.00 O ATOM 89 CB ALA A 9 -9.467 17.694 -4.012 1.00 0.00 C ATOM 0 H ALA A 9 -9.552 17.903 -6.461 1.00 0.00 H new ATOM 0 HA ALA A 9 -8.701 15.855 -4.789 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -9.426 17.368 -2.973 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -8.558 18.245 -4.255 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -10.333 18.341 -4.156 1.00 0.00 H new ATOM 95 N GLU A 10 -11.979 16.100 -4.992 1.00 0.00 N ATOM 96 CA GLU A 10 -13.225 15.401 -4.701 1.00 0.00 C ATOM 97 C GLU A 10 -13.078 13.902 -4.949 1.00 0.00 C ATOM 98 O GLU A 10 -13.546 13.082 -4.159 1.00 0.00 O ATOM 99 CB GLU A 10 -14.363 15.962 -5.556 1.00 0.00 C ATOM 100 CG GLU A 10 -13.969 16.218 -7.001 1.00 0.00 C ATOM 101 CD GLU A 10 -15.166 16.476 -7.895 1.00 0.00 C ATOM 102 OE1 GLU A 10 -15.986 15.551 -8.071 1.00 0.00 O ATOM 103 OE2 GLU A 10 -15.282 17.604 -8.419 1.00 0.00 O ATOM 0 H GLU A 10 -12.090 16.943 -5.556 1.00 0.00 H new ATOM 0 HA GLU A 10 -13.462 15.556 -3.648 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -15.200 15.264 -5.535 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -14.713 16.894 -5.113 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -13.297 17.075 -7.044 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -13.415 15.359 -7.380 1.00 0.00 H new ATOM 110 N LEU A 11 -12.427 13.553 -6.053 1.00 0.00 N ATOM 111 CA LEU A 11 -12.218 12.153 -6.408 1.00 0.00 C ATOM 112 C LEU A 11 -11.253 11.483 -5.436 1.00 0.00 C ATOM 113 O LEU A 11 -11.525 10.398 -4.922 1.00 0.00 O ATOM 114 CB LEU A 11 -11.681 12.043 -7.836 1.00 0.00 C ATOM 115 CG LEU A 11 -12.719 12.150 -8.954 1.00 0.00 C ATOM 116 CD1 LEU A 11 -13.693 10.984 -8.890 1.00 0.00 C ATOM 117 CD2 LEU A 11 -13.463 13.475 -8.866 1.00 0.00 C ATOM 0 H LEU A 11 -12.035 14.220 -6.718 1.00 0.00 H new ATOM 0 HA LEU A 11 -13.178 11.641 -6.348 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -10.936 12.824 -7.984 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -11.166 11.088 -7.936 1.00 0.00 H new ATOM 0 HG LEU A 11 -12.200 12.111 -9.912 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -14.424 11.076 -9.693 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -13.147 10.047 -9.003 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -14.207 10.991 -7.929 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -14.198 13.534 -9.669 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -13.971 13.544 -7.904 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -12.754 14.297 -8.962 1.00 0.00 H new ATOM 129 N PHE A 12 -10.124 12.138 -5.185 1.00 0.00 N ATOM 130 CA PHE A 12 -9.117 11.607 -4.274 1.00 0.00 C ATOM 131 C PHE A 12 -9.768 11.045 -3.013 1.00 0.00 C ATOM 132 O PHE A 12 -9.358 10.004 -2.501 1.00 0.00 O ATOM 133 CB PHE A 12 -8.111 12.697 -3.899 1.00 0.00 C ATOM 134 CG PHE A 12 -7.052 12.231 -2.942 1.00 0.00 C ATOM 135 CD1 PHE A 12 -5.984 11.469 -3.386 1.00 0.00 C ATOM 136 CD2 PHE A 12 -7.124 12.556 -1.597 1.00 0.00 C ATOM 137 CE1 PHE A 12 -5.007 11.039 -2.508 1.00 0.00 C ATOM 138 CE2 PHE A 12 -6.150 12.129 -0.713 1.00 0.00 C ATOM 139 CZ PHE A 12 -5.091 11.369 -1.169 1.00 0.00 C ATOM 0 H PHE A 12 -9.884 13.038 -5.600 1.00 0.00 H new ATOM 0 HA PHE A 12 -8.593 10.799 -4.783 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -7.633 13.066 -4.806 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -8.646 13.537 -3.456 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -5.914 11.208 -4.432 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -7.950 13.150 -1.235 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -4.179 10.446 -2.868 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -6.217 12.390 0.333 1.00 0.00 H new ATOM 0 HZ PHE A 12 -4.330 11.033 -0.480 1.00 0.00 H new ATOM 149 N GLU A 13 -10.785 11.744 -2.518 1.00 0.00 N ATOM 150 CA GLU A 13 -11.492 11.315 -1.316 1.00 0.00 C ATOM 151 C GLU A 13 -12.297 10.047 -1.582 1.00 0.00 C ATOM 152 O GLU A 13 -12.124 9.034 -0.902 1.00 0.00 O ATOM 153 CB GLU A 13 -12.420 12.427 -0.820 1.00 0.00 C ATOM 154 CG GLU A 13 -11.696 13.720 -0.486 1.00 0.00 C ATOM 155 CD GLU A 13 -11.082 13.703 0.900 1.00 0.00 C ATOM 156 OE1 GLU A 13 -11.822 13.935 1.879 1.00 0.00 O ATOM 157 OE2 GLU A 13 -9.862 13.459 1.007 1.00 0.00 O ATOM 0 H GLU A 13 -11.137 12.608 -2.930 1.00 0.00 H new ATOM 0 HA GLU A 13 -10.751 11.099 -0.546 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -13.172 12.628 -1.583 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -12.950 12.078 0.066 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -10.913 13.895 -1.224 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -12.395 14.553 -0.559 1.00 0.00 H new ATOM 164 N LYS A 14 -13.178 10.109 -2.574 1.00 0.00 N ATOM 165 CA LYS A 14 -14.011 8.966 -2.932 1.00 0.00 C ATOM 166 C LYS A 14 -13.155 7.732 -3.199 1.00 0.00 C ATOM 167 O LYS A 14 -13.338 6.690 -2.571 1.00 0.00 O ATOM 168 CB LYS A 14 -14.856 9.291 -4.165 1.00 0.00 C ATOM 169 CG LYS A 14 -16.121 10.070 -3.848 1.00 0.00 C ATOM 170 CD LYS A 14 -16.731 10.676 -5.101 1.00 0.00 C ATOM 171 CE LYS A 14 -16.143 12.046 -5.401 1.00 0.00 C ATOM 172 NZ LYS A 14 -16.875 12.735 -6.500 1.00 0.00 N ATOM 0 H LYS A 14 -13.334 10.939 -3.145 1.00 0.00 H new ATOM 0 HA LYS A 14 -14.673 8.753 -2.092 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -14.252 9.865 -4.868 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -15.128 8.361 -4.664 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -16.846 9.410 -3.372 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -15.893 10.861 -3.134 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -16.559 10.012 -5.948 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -17.810 10.762 -4.977 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -16.176 12.660 -4.501 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -15.093 11.939 -5.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -16.323 13.555 -6.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -17.013 12.075 -7.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -17.801 13.057 -6.152 1.00 0.00 H new ATOM 186 N ALA A 15 -12.219 7.858 -4.134 1.00 0.00 N ATOM 187 CA ALA A 15 -11.333 6.754 -4.482 1.00 0.00 C ATOM 188 C ALA A 15 -10.807 6.058 -3.231 1.00 0.00 C ATOM 189 O ALA A 15 -10.800 4.830 -3.149 1.00 0.00 O ATOM 190 CB ALA A 15 -10.178 7.253 -5.336 1.00 0.00 C ATOM 0 H ALA A 15 -12.055 8.714 -4.664 1.00 0.00 H new ATOM 0 HA ALA A 15 -11.907 6.027 -5.057 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -9.525 6.418 -5.588 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -10.568 7.698 -6.251 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -9.612 8.002 -4.781 1.00 0.00 H new ATOM 196 N ALA A 16 -10.365 6.851 -2.260 1.00 0.00 N ATOM 197 CA ALA A 16 -9.838 6.310 -1.013 1.00 0.00 C ATOM 198 C ALA A 16 -10.798 5.294 -0.406 1.00 0.00 C ATOM 199 O ALA A 16 -10.389 4.211 0.010 1.00 0.00 O ATOM 200 CB ALA A 16 -9.561 7.435 -0.026 1.00 0.00 C ATOM 0 H ALA A 16 -10.361 7.870 -2.313 1.00 0.00 H new ATOM 0 HA ALA A 16 -8.902 5.797 -1.234 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -9.168 7.017 0.901 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -8.830 8.122 -0.453 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -10.486 7.973 0.182 1.00 0.00 H new ATOM 206 N ALA A 17 -12.077 5.652 -0.357 1.00 0.00 N ATOM 207 CA ALA A 17 -13.096 4.770 0.199 1.00 0.00 C ATOM 208 C ALA A 17 -13.197 3.475 -0.600 1.00 0.00 C ATOM 209 O ALA A 17 -13.498 2.416 -0.049 1.00 0.00 O ATOM 210 CB ALA A 17 -14.443 5.477 0.235 1.00 0.00 C ATOM 0 H ALA A 17 -12.432 6.546 -0.695 1.00 0.00 H new ATOM 0 HA ALA A 17 -12.804 4.515 1.218 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -15.195 4.807 0.652 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -14.369 6.370 0.855 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -14.732 5.761 -0.777 1.00 0.00 H new ATOM 216 N HIS A 18 -12.944 3.567 -1.902 1.00 0.00 N ATOM 217 CA HIS A 18 -13.007 2.402 -2.777 1.00 0.00 C ATOM 218 C HIS A 18 -11.804 1.490 -2.554 1.00 0.00 C ATOM 219 O HIS A 18 -11.900 0.271 -2.704 1.00 0.00 O ATOM 220 CB HIS A 18 -13.066 2.840 -4.241 1.00 0.00 C ATOM 221 CG HIS A 18 -13.795 1.877 -5.126 1.00 0.00 C ATOM 222 ND1 HIS A 18 -14.922 1.192 -4.724 1.00 0.00 N ATOM 223 CD2 HIS A 18 -13.553 1.487 -6.399 1.00 0.00 C ATOM 224 CE1 HIS A 18 -15.341 0.421 -5.712 1.00 0.00 C ATOM 225 NE2 HIS A 18 -14.528 0.582 -6.740 1.00 0.00 N ATOM 0 H HIS A 18 -12.694 4.436 -2.374 1.00 0.00 H new ATOM 0 HA HIS A 18 -13.912 1.845 -2.536 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -13.551 3.814 -4.301 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -12.050 2.966 -4.615 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -12.744 1.825 -7.029 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -16.202 -0.230 -5.684 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -14.611 0.111 -7.641 1.00 0.00 H new ATOM 234 N LEU A 19 -10.673 2.088 -2.198 1.00 0.00 N ATOM 235 CA LEU A 19 -9.451 1.329 -1.955 1.00 0.00 C ATOM 236 C LEU A 19 -9.734 0.099 -1.100 1.00 0.00 C ATOM 237 O LEU A 19 -9.355 -1.017 -1.457 1.00 0.00 O ATOM 238 CB LEU A 19 -8.407 2.212 -1.268 1.00 0.00 C ATOM 239 CG LEU A 19 -6.945 1.889 -1.578 1.00 0.00 C ATOM 240 CD1 LEU A 19 -6.020 2.862 -0.865 1.00 0.00 C ATOM 241 CD2 LEU A 19 -6.621 0.455 -1.184 1.00 0.00 C ATOM 0 H LEU A 19 -10.576 3.095 -2.071 1.00 0.00 H new ATOM 0 HA LEU A 19 -9.062 0.997 -2.918 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -8.596 3.248 -1.548 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -8.553 2.141 -0.190 1.00 0.00 H new ATOM 0 HG LEU A 19 -6.789 1.994 -2.652 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.984 2.616 -1.098 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -6.235 3.878 -1.196 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -6.177 2.791 0.211 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -5.576 0.242 -1.412 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -6.794 0.323 -0.116 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -7.260 -0.229 -1.742 1.00 0.00 H new ATOM 253 N GLN A 20 -10.404 0.310 0.028 1.00 0.00 N ATOM 254 CA GLN A 20 -10.740 -0.784 0.932 1.00 0.00 C ATOM 255 C GLN A 20 -11.505 -1.881 0.200 1.00 0.00 C ATOM 256 O GLN A 20 -11.448 -3.050 0.579 1.00 0.00 O ATOM 257 CB GLN A 20 -11.570 -0.265 2.108 1.00 0.00 C ATOM 258 CG GLN A 20 -10.855 0.788 2.939 1.00 0.00 C ATOM 259 CD GLN A 20 -10.037 0.186 4.065 1.00 0.00 C ATOM 260 OE1 GLN A 20 -10.518 0.042 5.189 1.00 0.00 O ATOM 261 NE2 GLN A 20 -8.793 -0.169 3.768 1.00 0.00 N ATOM 0 H GLN A 20 -10.725 1.227 0.338 1.00 0.00 H new ATOM 0 HA GLN A 20 -9.810 -1.207 1.311 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -12.501 0.155 1.728 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -11.838 -1.103 2.751 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -10.201 1.373 2.293 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -11.590 1.476 3.357 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -8.435 -0.031 2.823 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -8.195 -0.579 4.485 1.00 0.00 H new ATOM 270 N GLY A 21 -12.221 -1.496 -0.852 1.00 0.00 N ATOM 271 CA GLY A 21 -12.987 -2.459 -1.621 1.00 0.00 C ATOM 272 C GLY A 21 -12.169 -3.107 -2.719 1.00 0.00 C ATOM 273 O GLY A 21 -12.568 -4.128 -3.282 1.00 0.00 O ATOM 0 H GLY A 21 -12.284 -0.534 -1.185 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -13.369 -3.231 -0.953 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -13.852 -1.962 -2.061 1.00 0.00 H new ATOM 277 N LEU A 22 -11.020 -2.515 -3.027 1.00 0.00 N ATOM 278 CA LEU A 22 -10.143 -3.040 -4.068 1.00 0.00 C ATOM 279 C LEU A 22 -8.899 -3.680 -3.459 1.00 0.00 C ATOM 280 O LEU A 22 -7.886 -3.857 -4.136 1.00 0.00 O ATOM 281 CB LEU A 22 -9.737 -1.924 -5.032 1.00 0.00 C ATOM 282 CG LEU A 22 -10.864 -1.007 -5.510 1.00 0.00 C ATOM 283 CD1 LEU A 22 -10.300 0.167 -6.295 1.00 0.00 C ATOM 284 CD2 LEU A 22 -11.862 -1.785 -6.354 1.00 0.00 C ATOM 0 H LEU A 22 -10.674 -1.671 -2.571 1.00 0.00 H new ATOM 0 HA LEU A 22 -10.691 -3.805 -4.619 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -8.978 -1.311 -4.547 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -9.270 -2.378 -5.906 1.00 0.00 H new ATOM 0 HG LEU A 22 -11.385 -0.616 -4.636 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -11.116 0.808 -6.627 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -9.625 0.739 -5.659 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -9.754 -0.204 -7.163 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -12.657 -1.117 -6.686 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -11.355 -2.205 -7.223 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -12.291 -2.592 -5.759 1.00 0.00 H new ATOM 296 N ILE A 23 -8.984 -4.025 -2.179 1.00 0.00 N ATOM 297 CA ILE A 23 -7.866 -4.648 -1.481 1.00 0.00 C ATOM 298 C ILE A 23 -7.603 -6.054 -2.010 1.00 0.00 C ATOM 299 O ILE A 23 -6.456 -6.493 -2.088 1.00 0.00 O ATOM 300 CB ILE A 23 -8.121 -4.722 0.036 1.00 0.00 C ATOM 301 CG1 ILE A 23 -8.490 -3.341 0.581 1.00 0.00 C ATOM 302 CG2 ILE A 23 -6.896 -5.269 0.753 1.00 0.00 C ATOM 303 CD1 ILE A 23 -7.335 -2.365 0.587 1.00 0.00 C ATOM 0 H ILE A 23 -9.815 -3.884 -1.604 1.00 0.00 H new ATOM 0 HA ILE A 23 -6.992 -4.024 -1.664 1.00 0.00 H new ATOM 0 HB ILE A 23 -8.956 -5.399 0.216 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -9.301 -2.928 -0.019 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -8.868 -3.450 1.597 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -7.092 -5.315 1.824 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -6.673 -6.269 0.381 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -6.044 -4.615 0.568 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -7.670 -1.408 0.986 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -6.531 -2.757 1.210 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -6.970 -2.226 -0.431 1.00 0.00 H new ATOM 315 N GLN A 24 -8.673 -6.754 -2.372 1.00 0.00 N ATOM 316 CA GLN A 24 -8.557 -8.111 -2.895 1.00 0.00 C ATOM 317 C GLN A 24 -8.061 -8.098 -4.337 1.00 0.00 C ATOM 318 O GLN A 24 -7.569 -9.105 -4.845 1.00 0.00 O ATOM 319 CB GLN A 24 -9.905 -8.829 -2.813 1.00 0.00 C ATOM 320 CG GLN A 24 -10.575 -8.712 -1.453 1.00 0.00 C ATOM 321 CD GLN A 24 -11.974 -9.295 -1.440 1.00 0.00 C ATOM 322 OE1 GLN A 24 -12.202 -10.379 -0.901 1.00 0.00 O ATOM 323 NE2 GLN A 24 -12.920 -8.578 -2.034 1.00 0.00 N ATOM 0 H GLN A 24 -9.630 -6.405 -2.313 1.00 0.00 H new ATOM 0 HA GLN A 24 -7.830 -8.648 -2.285 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -10.571 -8.421 -3.573 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -9.761 -9.883 -3.048 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -9.966 -9.222 -0.707 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -10.620 -7.662 -1.164 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -12.686 -7.685 -2.468 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -13.881 -8.920 -2.056 1.00 0.00 H new ATOM 332 N VAL A 25 -8.196 -6.950 -4.994 1.00 0.00 N ATOM 333 CA VAL A 25 -7.761 -6.805 -6.378 1.00 0.00 C ATOM 334 C VAL A 25 -6.446 -6.039 -6.464 1.00 0.00 C ATOM 335 O VAL A 25 -5.749 -6.093 -7.476 1.00 0.00 O ATOM 336 CB VAL A 25 -8.822 -6.079 -7.226 1.00 0.00 C ATOM 337 CG1 VAL A 25 -10.134 -6.849 -7.215 1.00 0.00 C ATOM 338 CG2 VAL A 25 -9.024 -4.657 -6.724 1.00 0.00 C ATOM 0 H VAL A 25 -8.603 -6.107 -4.590 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.618 -7.811 -6.772 1.00 0.00 H new ATOM 0 HB VAL A 25 -8.467 -6.029 -8.255 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -10.871 -6.320 -7.819 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -9.974 -7.846 -7.627 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -10.498 -6.933 -6.191 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -9.777 -4.159 -7.335 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -9.357 -4.681 -5.686 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -8.083 -4.110 -6.791 1.00 0.00 H new ATOM 348 N ALA A 26 -6.112 -5.325 -5.393 1.00 0.00 N ATOM 349 CA ALA A 26 -4.879 -4.549 -5.346 1.00 0.00 C ATOM 350 C ALA A 26 -3.715 -5.398 -4.845 1.00 0.00 C ATOM 351 O ALA A 26 -3.793 -6.007 -3.778 1.00 0.00 O ATOM 352 CB ALA A 26 -5.060 -3.324 -4.463 1.00 0.00 C ATOM 0 H ALA A 26 -6.678 -5.268 -4.547 1.00 0.00 H new ATOM 0 HA ALA A 26 -4.646 -4.221 -6.359 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -4.131 -2.754 -4.437 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.858 -2.700 -4.866 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -5.321 -3.639 -3.453 1.00 0.00 H new ATOM 358 N SER A 27 -2.637 -5.434 -5.621 1.00 0.00 N ATOM 359 CA SER A 27 -1.459 -6.212 -5.258 1.00 0.00 C ATOM 360 C SER A 27 -0.678 -5.526 -4.141 1.00 0.00 C ATOM 361 O SER A 27 -0.664 -4.298 -4.042 1.00 0.00 O ATOM 362 CB SER A 27 -0.557 -6.412 -6.478 1.00 0.00 C ATOM 363 OG SER A 27 0.772 -6.709 -6.086 1.00 0.00 O ATOM 0 H SER A 27 -2.555 -4.933 -6.506 1.00 0.00 H new ATOM 0 HA SER A 27 -1.794 -7.185 -4.899 1.00 0.00 H new ATOM 0 HB2 SER A 27 -0.947 -7.222 -7.094 1.00 0.00 H new ATOM 0 HB3 SER A 27 -0.566 -5.512 -7.092 1.00 0.00 H new ATOM 0 HG SER A 27 1.328 -6.834 -6.883 1.00 0.00 H new ATOM 369 N ARG A 28 -0.029 -6.327 -3.303 1.00 0.00 N ATOM 370 CA ARG A 28 0.754 -5.798 -2.192 1.00 0.00 C ATOM 371 C ARG A 28 1.482 -4.521 -2.600 1.00 0.00 C ATOM 372 O ARG A 28 1.632 -3.599 -1.799 1.00 0.00 O ATOM 373 CB ARG A 28 1.763 -6.841 -1.709 1.00 0.00 C ATOM 374 CG ARG A 28 2.966 -6.994 -2.624 1.00 0.00 C ATOM 375 CD ARG A 28 3.630 -8.351 -2.450 1.00 0.00 C ATOM 376 NE ARG A 28 4.534 -8.375 -1.304 1.00 0.00 N ATOM 377 CZ ARG A 28 5.469 -9.302 -1.124 1.00 0.00 C ATOM 378 NH1 ARG A 28 5.621 -10.275 -2.012 1.00 0.00 N ATOM 379 NH2 ARG A 28 6.253 -9.257 -0.055 1.00 0.00 N ATOM 0 H ARG A 28 -0.030 -7.345 -3.372 1.00 0.00 H new ATOM 0 HA ARG A 28 0.069 -5.561 -1.378 1.00 0.00 H new ATOM 0 HB2 ARG A 28 2.108 -6.566 -0.712 1.00 0.00 H new ATOM 0 HB3 ARG A 28 1.261 -7.804 -1.618 1.00 0.00 H new ATOM 0 HG2 ARG A 28 2.654 -6.871 -3.661 1.00 0.00 H new ATOM 0 HG3 ARG A 28 3.688 -6.205 -2.413 1.00 0.00 H new ATOM 0 HD2 ARG A 28 2.864 -9.116 -2.323 1.00 0.00 H new ATOM 0 HD3 ARG A 28 4.184 -8.602 -3.354 1.00 0.00 H new ATOM 0 HE ARG A 28 4.443 -7.640 -0.603 1.00 0.00 H new ATOM 0 HH11 ARG A 28 5.020 -10.313 -2.835 1.00 0.00 H new ATOM 0 HH12 ARG A 28 6.339 -10.986 -1.872 1.00 0.00 H new ATOM 0 HH21 ARG A 28 6.139 -8.510 0.630 1.00 0.00 H new ATOM 0 HH22 ARG A 28 6.970 -9.969 0.082 1.00 0.00 H new ATOM 393 N GLU A 29 1.932 -4.475 -3.850 1.00 0.00 N ATOM 394 CA GLU A 29 2.646 -3.312 -4.362 1.00 0.00 C ATOM 395 C GLU A 29 1.688 -2.149 -4.604 1.00 0.00 C ATOM 396 O GLU A 29 1.989 -1.004 -4.269 1.00 0.00 O ATOM 397 CB GLU A 29 3.376 -3.664 -5.660 1.00 0.00 C ATOM 398 CG GLU A 29 4.695 -4.386 -5.439 1.00 0.00 C ATOM 399 CD GLU A 29 5.411 -4.702 -6.738 1.00 0.00 C ATOM 400 OE1 GLU A 29 6.019 -3.780 -7.320 1.00 0.00 O ATOM 401 OE2 GLU A 29 5.364 -5.873 -7.172 1.00 0.00 O ATOM 0 H GLU A 29 1.815 -5.230 -4.526 1.00 0.00 H new ATOM 0 HA GLU A 29 3.378 -3.008 -3.613 1.00 0.00 H new ATOM 0 HB2 GLU A 29 2.728 -4.289 -6.274 1.00 0.00 H new ATOM 0 HB3 GLU A 29 3.562 -2.749 -6.222 1.00 0.00 H new ATOM 0 HG2 GLU A 29 5.341 -3.771 -4.812 1.00 0.00 H new ATOM 0 HG3 GLU A 29 4.511 -5.312 -4.895 1.00 0.00 H new ATOM 408 N GLN A 30 0.534 -2.453 -5.190 1.00 0.00 N ATOM 409 CA GLN A 30 -0.467 -1.433 -5.478 1.00 0.00 C ATOM 410 C GLN A 30 -0.922 -0.740 -4.199 1.00 0.00 C ATOM 411 O GLN A 30 -1.242 0.450 -4.205 1.00 0.00 O ATOM 412 CB GLN A 30 -1.670 -2.056 -6.190 1.00 0.00 C ATOM 413 CG GLN A 30 -1.368 -2.513 -7.608 1.00 0.00 C ATOM 414 CD GLN A 30 -2.622 -2.822 -8.402 1.00 0.00 C ATOM 415 OE1 GLN A 30 -3.369 -3.743 -8.071 1.00 0.00 O ATOM 416 NE2 GLN A 30 -2.861 -2.050 -9.456 1.00 0.00 N ATOM 0 H GLN A 30 0.270 -3.396 -5.474 1.00 0.00 H new ATOM 0 HA GLN A 30 -0.012 -0.688 -6.131 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -2.024 -2.908 -5.610 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -2.482 -1.330 -6.216 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -0.799 -1.738 -8.122 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -0.737 -3.401 -7.573 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -2.215 -1.298 -9.694 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -3.691 -2.210 -10.027 1.00 0.00 H new ATOM 425 N LEU A 31 -0.950 -1.490 -3.103 1.00 0.00 N ATOM 426 CA LEU A 31 -1.367 -0.947 -1.814 1.00 0.00 C ATOM 427 C LEU A 31 -0.440 0.181 -1.374 1.00 0.00 C ATOM 428 O LEU A 31 -0.883 1.169 -0.786 1.00 0.00 O ATOM 429 CB LEU A 31 -1.385 -2.051 -0.756 1.00 0.00 C ATOM 430 CG LEU A 31 -2.650 -2.908 -0.700 1.00 0.00 C ATOM 431 CD1 LEU A 31 -3.835 -2.079 -0.230 1.00 0.00 C ATOM 432 CD2 LEU A 31 -2.936 -3.526 -2.060 1.00 0.00 C ATOM 0 H LEU A 31 -0.689 -2.476 -3.081 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.373 -0.543 -1.925 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.533 -2.708 -0.931 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.238 -1.592 0.222 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.489 -3.714 0.016 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.727 -2.705 -0.196 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.631 -1.684 0.765 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.998 -1.253 -0.922 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.840 -4.133 -2.001 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.077 -2.735 -2.797 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.096 -4.154 -2.358 1.00 0.00 H new ATOM 444 N LEU A 32 0.848 0.029 -1.662 1.00 0.00 N ATOM 445 CA LEU A 32 1.838 1.036 -1.297 1.00 0.00 C ATOM 446 C LEU A 32 1.773 2.231 -2.244 1.00 0.00 C ATOM 447 O LEU A 32 1.672 3.377 -1.806 1.00 0.00 O ATOM 448 CB LEU A 32 3.242 0.430 -1.318 1.00 0.00 C ATOM 449 CG LEU A 32 4.290 1.134 -0.455 1.00 0.00 C ATOM 450 CD1 LEU A 32 4.334 0.522 0.937 1.00 0.00 C ATOM 451 CD2 LEU A 32 5.659 1.064 -1.114 1.00 0.00 C ATOM 0 H LEU A 32 1.231 -0.782 -2.147 1.00 0.00 H new ATOM 0 HA LEU A 32 1.614 1.382 -0.288 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.173 -0.609 -0.995 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.596 0.420 -2.349 1.00 0.00 H new ATOM 0 HG LEU A 32 4.009 2.183 -0.360 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.085 1.036 1.537 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.358 0.626 1.411 1.00 0.00 H new ATOM 0 HD13 LEU A 32 4.590 -0.535 0.862 1.00 0.00 H new ATOM 0 HD21 LEU A 32 6.392 1.570 -0.485 1.00 0.00 H new ATOM 0 HD22 LEU A 32 5.949 0.021 -1.241 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.619 1.551 -2.088 1.00 0.00 H new ATOM 463 N TYR A 33 1.829 1.954 -3.542 1.00 0.00 N ATOM 464 CA TYR A 33 1.777 3.006 -4.550 1.00 0.00 C ATOM 465 C TYR A 33 0.813 4.113 -4.134 1.00 0.00 C ATOM 466 O TYR A 33 1.172 5.291 -4.113 1.00 0.00 O ATOM 467 CB TYR A 33 1.353 2.426 -5.901 1.00 0.00 C ATOM 468 CG TYR A 33 1.478 3.405 -7.046 1.00 0.00 C ATOM 469 CD1 TYR A 33 2.717 3.908 -7.424 1.00 0.00 C ATOM 470 CD2 TYR A 33 0.357 3.829 -7.749 1.00 0.00 C ATOM 471 CE1 TYR A 33 2.836 4.803 -8.469 1.00 0.00 C ATOM 472 CE2 TYR A 33 0.467 4.722 -8.797 1.00 0.00 C ATOM 473 CZ TYR A 33 1.708 5.207 -9.153 1.00 0.00 C ATOM 474 OH TYR A 33 1.821 6.099 -10.195 1.00 0.00 O ATOM 0 H TYR A 33 1.910 1.010 -3.921 1.00 0.00 H new ATOM 0 HA TYR A 33 2.775 3.435 -4.643 1.00 0.00 H new ATOM 0 HB2 TYR A 33 1.961 1.548 -6.117 1.00 0.00 H new ATOM 0 HB3 TYR A 33 0.319 2.089 -5.834 1.00 0.00 H new ATOM 0 HD1 TYR A 33 3.602 3.594 -6.891 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -0.617 3.454 -7.471 1.00 0.00 H new ATOM 0 HE1 TYR A 33 3.807 5.185 -8.749 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -0.414 5.039 -9.335 1.00 0.00 H new ATOM 0 HH TYR A 33 2.026 6.990 -9.842 1.00 0.00 H new ATOM 484 N LEU A 34 -0.414 3.725 -3.802 1.00 0.00 N ATOM 485 CA LEU A 34 -1.432 4.683 -3.385 1.00 0.00 C ATOM 486 C LEU A 34 -0.974 5.466 -2.159 1.00 0.00 C ATOM 487 O LEU A 34 -1.257 6.657 -2.028 1.00 0.00 O ATOM 488 CB LEU A 34 -2.746 3.961 -3.081 1.00 0.00 C ATOM 489 CG LEU A 34 -3.280 3.046 -4.184 1.00 0.00 C ATOM 490 CD1 LEU A 34 -4.609 2.433 -3.772 1.00 0.00 C ATOM 491 CD2 LEU A 34 -3.427 3.815 -5.489 1.00 0.00 C ATOM 0 H LEU A 34 -0.728 2.754 -3.814 1.00 0.00 H new ATOM 0 HA LEU A 34 -1.591 5.385 -4.203 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -2.610 3.367 -2.178 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.506 4.710 -2.858 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.564 2.239 -4.339 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -4.974 1.785 -4.569 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.473 1.848 -2.862 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -5.334 3.226 -3.589 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -3.808 3.149 -6.263 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -4.123 4.642 -5.348 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.456 4.206 -5.792 1.00 0.00 H new ATOM 503 N TYR A 35 -0.262 4.790 -1.264 1.00 0.00 N ATOM 504 CA TYR A 35 0.236 5.422 -0.048 1.00 0.00 C ATOM 505 C TYR A 35 1.273 6.491 -0.376 1.00 0.00 C ATOM 506 O TYR A 35 1.156 7.638 0.055 1.00 0.00 O ATOM 507 CB TYR A 35 0.846 4.373 0.884 1.00 0.00 C ATOM 508 CG TYR A 35 1.617 4.967 2.041 1.00 0.00 C ATOM 509 CD1 TYR A 35 2.897 5.477 1.860 1.00 0.00 C ATOM 510 CD2 TYR A 35 1.067 5.017 3.316 1.00 0.00 C ATOM 511 CE1 TYR A 35 3.606 6.019 2.914 1.00 0.00 C ATOM 512 CE2 TYR A 35 1.768 5.559 4.376 1.00 0.00 C ATOM 513 CZ TYR A 35 3.037 6.059 4.170 1.00 0.00 C ATOM 514 OH TYR A 35 3.739 6.598 5.223 1.00 0.00 O ATOM 0 H TYR A 35 -0.017 3.804 -1.358 1.00 0.00 H new ATOM 0 HA TYR A 35 -0.605 5.899 0.454 1.00 0.00 H new ATOM 0 HB2 TYR A 35 0.050 3.740 1.276 1.00 0.00 H new ATOM 0 HB3 TYR A 35 1.511 3.729 0.308 1.00 0.00 H new ATOM 0 HD1 TYR A 35 3.345 5.449 0.878 1.00 0.00 H new ATOM 0 HD2 TYR A 35 0.074 4.625 3.481 1.00 0.00 H new ATOM 0 HE1 TYR A 35 4.600 6.409 2.756 1.00 0.00 H new ATOM 0 HE2 TYR A 35 1.325 5.591 5.360 1.00 0.00 H new ATOM 0 HH TYR A 35 3.196 6.550 6.037 1.00 0.00 H new ATOM 524 N ALA A 36 2.289 6.107 -1.141 1.00 0.00 N ATOM 525 CA ALA A 36 3.346 7.032 -1.530 1.00 0.00 C ATOM 526 C ALA A 36 2.776 8.402 -1.880 1.00 0.00 C ATOM 527 O ALA A 36 2.950 9.366 -1.135 1.00 0.00 O ATOM 528 CB ALA A 36 4.134 6.470 -2.705 1.00 0.00 C ATOM 0 H ALA A 36 2.403 5.161 -1.504 1.00 0.00 H new ATOM 0 HA ALA A 36 4.018 7.154 -0.681 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.920 7.171 -2.985 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.582 5.518 -2.421 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.465 6.318 -3.552 1.00 0.00 H new ATOM 534 N ARG A 37 2.094 8.481 -3.018 1.00 0.00 N ATOM 535 CA ARG A 37 1.499 9.734 -3.467 1.00 0.00 C ATOM 536 C ARG A 37 0.508 10.266 -2.436 1.00 0.00 C ATOM 537 O ARG A 37 0.547 11.441 -2.071 1.00 0.00 O ATOM 538 CB ARG A 37 0.796 9.536 -4.811 1.00 0.00 C ATOM 539 CG ARG A 37 1.753 9.394 -5.984 1.00 0.00 C ATOM 540 CD ARG A 37 1.037 8.896 -7.230 1.00 0.00 C ATOM 541 NE ARG A 37 0.047 7.868 -6.918 1.00 0.00 N ATOM 542 CZ ARG A 37 0.361 6.652 -6.486 1.00 0.00 C ATOM 543 NH1 ARG A 37 1.632 6.314 -6.314 1.00 0.00 N ATOM 544 NH2 ARG A 37 -0.596 5.772 -6.224 1.00 0.00 N ATOM 0 H ARG A 37 1.940 7.692 -3.646 1.00 0.00 H new ATOM 0 HA ARG A 37 2.299 10.465 -3.587 1.00 0.00 H new ATOM 0 HB2 ARG A 37 0.168 8.647 -4.756 1.00 0.00 H new ATOM 0 HB3 ARG A 37 0.134 10.383 -4.993 1.00 0.00 H new ATOM 0 HG2 ARG A 37 2.221 10.356 -6.192 1.00 0.00 H new ATOM 0 HG3 ARG A 37 2.552 8.701 -5.721 1.00 0.00 H new ATOM 0 HD2 ARG A 37 0.546 9.734 -7.725 1.00 0.00 H new ATOM 0 HD3 ARG A 37 1.768 8.494 -7.932 1.00 0.00 H new ATOM 0 HE ARG A 37 -0.940 8.097 -7.039 1.00 0.00 H new ATOM 0 HH11 ARG A 37 2.371 6.989 -6.514 1.00 0.00 H new ATOM 0 HH12 ARG A 37 1.871 5.380 -5.982 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -1.575 6.029 -6.354 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -0.353 4.838 -5.892 1.00 0.00 H new ATOM 558 N TYR A 38 -0.379 9.393 -1.971 1.00 0.00 N ATOM 559 CA TYR A 38 -1.382 9.775 -0.984 1.00 0.00 C ATOM 560 C TYR A 38 -0.749 10.560 0.161 1.00 0.00 C ATOM 561 O TYR A 38 -1.371 11.451 0.739 1.00 0.00 O ATOM 562 CB TYR A 38 -2.089 8.534 -0.438 1.00 0.00 C ATOM 563 CG TYR A 38 -2.987 8.820 0.745 1.00 0.00 C ATOM 564 CD1 TYR A 38 -2.455 9.224 1.964 1.00 0.00 C ATOM 565 CD2 TYR A 38 -4.366 8.686 0.645 1.00 0.00 C ATOM 566 CE1 TYR A 38 -3.271 9.486 3.048 1.00 0.00 C ATOM 567 CE2 TYR A 38 -5.189 8.947 1.722 1.00 0.00 C ATOM 568 CZ TYR A 38 -4.637 9.346 2.922 1.00 0.00 C ATOM 569 OH TYR A 38 -5.455 9.606 3.998 1.00 0.00 O ATOM 0 H TYR A 38 -0.424 8.416 -2.262 1.00 0.00 H new ATOM 0 HA TYR A 38 -2.114 10.415 -1.477 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -2.683 8.085 -1.234 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -1.340 7.798 -0.145 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -1.386 9.335 2.066 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -4.802 8.372 -0.292 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -2.841 9.799 3.988 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -6.259 8.839 1.626 1.00 0.00 H new ATOM 0 HH TYR A 38 -6.389 9.461 3.741 1.00 0.00 H new ATOM 579 N LYS A 39 0.495 10.221 0.484 1.00 0.00 N ATOM 580 CA LYS A 39 1.217 10.893 1.558 1.00 0.00 C ATOM 581 C LYS A 39 1.845 12.192 1.063 1.00 0.00 C ATOM 582 O LYS A 39 1.987 13.151 1.821 1.00 0.00 O ATOM 583 CB LYS A 39 2.301 9.973 2.125 1.00 0.00 C ATOM 584 CG LYS A 39 1.789 9.007 3.179 1.00 0.00 C ATOM 585 CD LYS A 39 1.464 9.722 4.480 1.00 0.00 C ATOM 586 CE LYS A 39 2.727 10.077 5.251 1.00 0.00 C ATOM 587 NZ LYS A 39 2.478 10.154 6.717 1.00 0.00 N ATOM 0 H LYS A 39 1.024 9.485 0.017 1.00 0.00 H new ATOM 0 HA LYS A 39 0.504 11.133 2.346 1.00 0.00 H new ATOM 0 HB2 LYS A 39 2.746 9.404 1.309 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.094 10.583 2.558 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.897 8.501 2.808 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.538 8.237 3.363 1.00 0.00 H new ATOM 0 HD2 LYS A 39 0.899 10.630 4.267 1.00 0.00 H new ATOM 0 HD3 LYS A 39 0.827 9.088 5.096 1.00 0.00 H new ATOM 0 HE2 LYS A 39 3.496 9.331 5.052 1.00 0.00 H new ATOM 0 HE3 LYS A 39 3.112 11.033 4.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 3.362 10.398 7.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 1.763 10.884 6.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 2.135 9.234 7.060 1.00 0.00 H new ATOM 601 N GLN A 40 2.217 12.215 -0.213 1.00 0.00 N ATOM 602 CA GLN A 40 2.829 13.397 -0.808 1.00 0.00 C ATOM 603 C GLN A 40 1.807 14.519 -0.962 1.00 0.00 C ATOM 604 O GLN A 40 2.152 15.699 -0.896 1.00 0.00 O ATOM 605 CB GLN A 40 3.435 13.053 -2.169 1.00 0.00 C ATOM 606 CG GLN A 40 3.982 14.260 -2.914 1.00 0.00 C ATOM 607 CD GLN A 40 5.328 14.711 -2.385 1.00 0.00 C ATOM 608 OE1 GLN A 40 6.015 13.967 -1.684 1.00 0.00 O ATOM 609 NE2 GLN A 40 5.714 15.938 -2.717 1.00 0.00 N ATOM 0 H GLN A 40 2.105 11.429 -0.854 1.00 0.00 H new ATOM 0 HA GLN A 40 3.621 13.740 -0.142 1.00 0.00 H new ATOM 0 HB2 GLN A 40 4.238 12.329 -2.028 1.00 0.00 H new ATOM 0 HB3 GLN A 40 2.676 12.570 -2.784 1.00 0.00 H new ATOM 0 HG2 GLN A 40 4.075 14.017 -3.973 1.00 0.00 H new ATOM 0 HG3 GLN A 40 3.271 15.083 -2.837 1.00 0.00 H new ATOM 0 HE21 GLN A 40 5.114 16.521 -3.300 1.00 0.00 H new ATOM 0 HE22 GLN A 40 6.611 16.297 -2.389 1.00 0.00 H new ATOM 618 N VAL A 41 0.549 14.144 -1.168 1.00 0.00 N ATOM 619 CA VAL A 41 -0.523 15.119 -1.331 1.00 0.00 C ATOM 620 C VAL A 41 -0.940 15.706 0.013 1.00 0.00 C ATOM 621 O VAL A 41 -1.500 16.801 0.077 1.00 0.00 O ATOM 622 CB VAL A 41 -1.755 14.490 -2.009 1.00 0.00 C ATOM 623 CG1 VAL A 41 -1.332 13.621 -3.184 1.00 0.00 C ATOM 624 CG2 VAL A 41 -2.563 13.685 -1.003 1.00 0.00 C ATOM 0 H VAL A 41 0.247 13.172 -1.226 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.134 15.914 -1.967 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.388 15.291 -2.390 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -2.215 13.185 -3.651 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.799 14.230 -3.914 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.678 12.824 -2.830 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.430 13.248 -1.499 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.942 12.890 -0.590 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.898 14.339 -0.198 1.00 0.00 H new ATOM 634 N LYS A 42 -0.664 14.971 1.085 1.00 0.00 N ATOM 635 CA LYS A 42 -1.009 15.419 2.429 1.00 0.00 C ATOM 636 C LYS A 42 0.159 16.159 3.072 1.00 0.00 C ATOM 637 O LYS A 42 -0.001 17.267 3.584 1.00 0.00 O ATOM 638 CB LYS A 42 -1.411 14.225 3.299 1.00 0.00 C ATOM 639 CG LYS A 42 -2.609 13.460 2.765 1.00 0.00 C ATOM 640 CD LYS A 42 -3.878 14.293 2.832 1.00 0.00 C ATOM 641 CE LYS A 42 -5.001 13.664 2.022 1.00 0.00 C ATOM 642 NZ LYS A 42 -5.817 12.724 2.840 1.00 0.00 N ATOM 0 H LYS A 42 -0.202 14.062 1.049 1.00 0.00 H new ATOM 0 HA LYS A 42 -1.852 16.105 2.351 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -0.563 13.545 3.382 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -1.635 14.579 4.305 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -2.422 13.163 1.733 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -2.743 12.544 3.341 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -4.192 14.397 3.871 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -3.676 15.297 2.458 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -5.643 14.448 1.622 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -4.579 13.131 1.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -6.789 12.697 2.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -5.402 11.772 2.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -5.830 13.046 3.829 1.00 0.00 H new ATOM 656 N VAL A 43 1.335 15.541 3.041 1.00 0.00 N ATOM 657 CA VAL A 43 2.531 16.143 3.619 1.00 0.00 C ATOM 658 C VAL A 43 3.289 16.964 2.582 1.00 0.00 C ATOM 659 O VAL A 43 3.319 18.192 2.648 1.00 0.00 O ATOM 660 CB VAL A 43 3.474 15.072 4.199 1.00 0.00 C ATOM 661 CG1 VAL A 43 4.662 15.724 4.889 1.00 0.00 C ATOM 662 CG2 VAL A 43 2.722 14.163 5.159 1.00 0.00 C ATOM 0 H VAL A 43 1.485 14.623 2.622 1.00 0.00 H new ATOM 0 HA VAL A 43 2.198 16.798 4.424 1.00 0.00 H new ATOM 0 HB VAL A 43 3.851 14.462 3.378 1.00 0.00 H new ATOM 0 HG11 VAL A 43 5.317 14.952 5.293 1.00 0.00 H new ATOM 0 HG12 VAL A 43 5.214 16.329 4.169 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.308 16.360 5.700 1.00 0.00 H new ATOM 0 HG21 VAL A 43 3.404 13.413 5.559 1.00 0.00 H new ATOM 0 HG22 VAL A 43 2.314 14.756 5.978 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.908 13.668 4.629 1.00 0.00 H new ATOM 672 N GLY A 44 3.900 16.276 1.622 1.00 0.00 N ATOM 673 CA GLY A 44 4.650 16.958 0.583 1.00 0.00 C ATOM 674 C GLY A 44 6.089 16.489 0.504 1.00 0.00 C ATOM 675 O GLY A 44 6.353 15.295 0.368 1.00 0.00 O ATOM 0 H GLY A 44 3.889 15.259 1.545 1.00 0.00 H new ATOM 0 HA2 GLY A 44 4.164 16.794 -0.379 1.00 0.00 H new ATOM 0 HA3 GLY A 44 4.631 18.032 0.770 1.00 0.00 H new ATOM 679 N ASN A 45 7.023 17.432 0.587 1.00 0.00 N ATOM 680 CA ASN A 45 8.443 17.108 0.521 1.00 0.00 C ATOM 681 C ASN A 45 8.849 16.201 1.679 1.00 0.00 C ATOM 682 O ASN A 45 8.832 16.613 2.839 1.00 0.00 O ATOM 683 CB ASN A 45 9.281 18.389 0.545 1.00 0.00 C ATOM 684 CG ASN A 45 8.874 19.366 -0.541 1.00 0.00 C ATOM 685 OD1 ASN A 45 7.871 20.069 -0.415 1.00 0.00 O ATOM 686 ND2 ASN A 45 9.652 19.414 -1.615 1.00 0.00 N ATOM 0 H ASN A 45 6.822 18.426 0.700 1.00 0.00 H new ATOM 0 HA ASN A 45 8.626 16.578 -0.414 1.00 0.00 H new ATOM 0 HB2 ASN A 45 9.179 18.869 1.518 1.00 0.00 H new ATOM 0 HB3 ASN A 45 10.334 18.134 0.424 1.00 0.00 H new ATOM 0 HD21 ASN A 45 9.428 20.052 -2.379 1.00 0.00 H new ATOM 0 HD22 ASN A 45 10.474 18.813 -1.677 1.00 0.00 H new ATOM 693 N CYS A 46 9.213 14.965 1.355 1.00 0.00 N ATOM 694 CA CYS A 46 9.623 13.998 2.367 1.00 0.00 C ATOM 695 C CYS A 46 10.622 14.619 3.339 1.00 0.00 C ATOM 696 O CYS A 46 11.821 14.661 3.068 1.00 0.00 O ATOM 697 CB CYS A 46 10.237 12.764 1.705 1.00 0.00 C ATOM 698 SG CYS A 46 10.536 11.389 2.840 1.00 0.00 S ATOM 0 H CYS A 46 9.233 14.609 0.399 1.00 0.00 H new ATOM 0 HA CYS A 46 8.737 13.698 2.927 1.00 0.00 H new ATOM 0 HB2 CYS A 46 9.575 12.426 0.908 1.00 0.00 H new ATOM 0 HB3 CYS A 46 11.180 13.047 1.238 1.00 0.00 H new ATOM 0 HG CYS A 46 10.135 11.716 4.033 1.00 0.00 H new ATOM 704 N ASN A 47 10.117 15.101 4.470 1.00 0.00 N ATOM 705 CA ASN A 47 10.965 15.722 5.481 1.00 0.00 C ATOM 706 C ASN A 47 11.173 14.785 6.667 1.00 0.00 C ATOM 707 O ASN A 47 11.220 15.221 7.818 1.00 0.00 O ATOM 708 CB ASN A 47 10.346 17.037 5.958 1.00 0.00 C ATOM 709 CG ASN A 47 8.864 16.906 6.251 1.00 0.00 C ATOM 710 OD1 ASN A 47 8.469 16.540 7.359 1.00 0.00 O ATOM 711 ND2 ASN A 47 8.036 17.204 5.257 1.00 0.00 N ATOM 0 H ASN A 47 9.126 15.074 4.709 1.00 0.00 H new ATOM 0 HA ASN A 47 11.935 15.928 5.029 1.00 0.00 H new ATOM 0 HB2 ASN A 47 10.863 17.374 6.857 1.00 0.00 H new ATOM 0 HB3 ASN A 47 10.497 17.803 5.198 1.00 0.00 H new ATOM 0 HD21 ASN A 47 7.028 17.134 5.395 1.00 0.00 H new ATOM 0 HD22 ASN A 47 8.408 17.503 4.356 1.00 0.00 H new ATOM 718 N THR A 48 11.296 13.493 6.379 1.00 0.00 N ATOM 719 CA THR A 48 11.498 12.493 7.421 1.00 0.00 C ATOM 720 C THR A 48 12.788 11.714 7.192 1.00 0.00 C ATOM 721 O THR A 48 13.240 11.533 6.062 1.00 0.00 O ATOM 722 CB THR A 48 10.318 11.505 7.487 1.00 0.00 C ATOM 723 OG1 THR A 48 9.949 11.095 6.165 1.00 0.00 O ATOM 724 CG2 THR A 48 9.121 12.136 8.181 1.00 0.00 C ATOM 0 H THR A 48 11.259 13.114 5.433 1.00 0.00 H new ATOM 0 HA THR A 48 11.565 13.030 8.367 1.00 0.00 H new ATOM 0 HB THR A 48 10.633 10.635 8.063 1.00 0.00 H new ATOM 0 HG1 THR A 48 10.417 10.265 5.937 1.00 0.00 H new ATOM 0 HG21 THR A 48 8.301 11.419 8.215 1.00 0.00 H new ATOM 0 HG22 THR A 48 9.397 12.420 9.196 1.00 0.00 H new ATOM 0 HG23 THR A 48 8.806 13.022 7.629 1.00 0.00 H new ATOM 732 N PRO A 49 13.395 11.239 8.290 1.00 0.00 N ATOM 733 CA PRO A 49 14.641 10.469 8.234 1.00 0.00 C ATOM 734 C PRO A 49 14.441 9.085 7.627 1.00 0.00 C ATOM 735 O PRO A 49 13.358 8.507 7.715 1.00 0.00 O ATOM 736 CB PRO A 49 15.053 10.353 9.704 1.00 0.00 C ATOM 737 CG PRO A 49 13.778 10.479 10.465 1.00 0.00 C ATOM 738 CD PRO A 49 12.912 11.416 9.670 1.00 0.00 C ATOM 0 HA PRO A 49 15.389 10.950 7.604 1.00 0.00 H new ATOM 0 HB2 PRO A 49 15.541 9.399 9.904 1.00 0.00 H new ATOM 0 HB3 PRO A 49 15.758 11.137 9.981 1.00 0.00 H new ATOM 0 HG2 PRO A 49 13.297 9.508 10.583 1.00 0.00 H new ATOM 0 HG3 PRO A 49 13.958 10.869 11.467 1.00 0.00 H new ATOM 0 HD2 PRO A 49 11.856 11.162 9.762 1.00 0.00 H new ATOM 0 HD3 PRO A 49 13.022 12.447 10.005 1.00 0.00 H new ATOM 746 N LYS A 50 15.493 8.557 7.009 1.00 0.00 N ATOM 747 CA LYS A 50 15.434 7.239 6.388 1.00 0.00 C ATOM 748 C LYS A 50 15.212 6.153 7.436 1.00 0.00 C ATOM 749 O LYS A 50 15.843 6.138 8.492 1.00 0.00 O ATOM 750 CB LYS A 50 16.725 6.960 5.614 1.00 0.00 C ATOM 751 CG LYS A 50 16.607 5.808 4.631 1.00 0.00 C ATOM 752 CD LYS A 50 17.921 5.552 3.913 1.00 0.00 C ATOM 753 CE LYS A 50 17.750 4.555 2.776 1.00 0.00 C ATOM 754 NZ LYS A 50 18.789 4.730 1.724 1.00 0.00 N ATOM 0 H LYS A 50 16.397 9.022 6.925 1.00 0.00 H new ATOM 0 HA LYS A 50 14.592 7.228 5.696 1.00 0.00 H new ATOM 0 HB2 LYS A 50 17.016 7.860 5.073 1.00 0.00 H new ATOM 0 HB3 LYS A 50 17.524 6.742 6.323 1.00 0.00 H new ATOM 0 HG2 LYS A 50 16.299 4.907 5.161 1.00 0.00 H new ATOM 0 HG3 LYS A 50 15.829 6.030 3.900 1.00 0.00 H new ATOM 0 HD2 LYS A 50 18.311 6.491 3.520 1.00 0.00 H new ATOM 0 HD3 LYS A 50 18.657 5.174 4.623 1.00 0.00 H new ATOM 0 HE2 LYS A 50 17.801 3.541 3.172 1.00 0.00 H new ATOM 0 HE3 LYS A 50 16.761 4.675 2.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 18.638 4.033 0.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 18.724 5.690 1.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 19.732 4.590 2.140 1.00 0.00 H new ATOM 768 N PRO A 51 14.295 5.221 7.137 1.00 0.00 N ATOM 769 CA PRO A 51 13.970 4.113 8.040 1.00 0.00 C ATOM 770 C PRO A 51 15.106 3.101 8.148 1.00 0.00 C ATOM 771 O PRO A 51 15.877 2.917 7.206 1.00 0.00 O ATOM 772 CB PRO A 51 12.743 3.472 7.388 1.00 0.00 C ATOM 773 CG PRO A 51 12.855 3.822 5.944 1.00 0.00 C ATOM 774 CD PRO A 51 13.504 5.177 5.896 1.00 0.00 C ATOM 0 HA PRO A 51 13.797 4.456 9.060 1.00 0.00 H new ATOM 0 HB2 PRO A 51 12.736 2.392 7.534 1.00 0.00 H new ATOM 0 HB3 PRO A 51 11.819 3.858 7.818 1.00 0.00 H new ATOM 0 HG2 PRO A 51 13.452 3.084 5.409 1.00 0.00 H new ATOM 0 HG3 PRO A 51 11.874 3.842 5.470 1.00 0.00 H new ATOM 0 HD2 PRO A 51 14.134 5.290 5.014 1.00 0.00 H new ATOM 0 HD3 PRO A 51 12.764 5.976 5.863 1.00 0.00 H new ATOM 782 N SER A 52 15.202 2.447 9.301 1.00 0.00 N ATOM 783 CA SER A 52 16.247 1.456 9.533 1.00 0.00 C ATOM 784 C SER A 52 16.072 0.256 8.606 1.00 0.00 C ATOM 785 O SER A 52 14.971 -0.019 8.129 1.00 0.00 O ATOM 786 CB SER A 52 16.227 0.995 10.991 1.00 0.00 C ATOM 787 OG SER A 52 17.470 0.425 11.362 1.00 0.00 O ATOM 0 H SER A 52 14.569 2.585 10.089 1.00 0.00 H new ATOM 0 HA SER A 52 17.209 1.921 9.320 1.00 0.00 H new ATOM 0 HB2 SER A 52 16.003 1.841 11.640 1.00 0.00 H new ATOM 0 HB3 SER A 52 15.431 0.264 11.134 1.00 0.00 H new ATOM 0 HG SER A 52 17.432 0.140 12.299 1.00 0.00 H new ATOM 793 N PHE A 53 17.166 -0.454 8.356 1.00 0.00 N ATOM 794 CA PHE A 53 17.136 -1.624 7.486 1.00 0.00 C ATOM 795 C PHE A 53 16.128 -2.652 7.991 1.00 0.00 C ATOM 796 O PHE A 53 15.312 -3.166 7.227 1.00 0.00 O ATOM 797 CB PHE A 53 18.527 -2.256 7.397 1.00 0.00 C ATOM 798 CG PHE A 53 18.560 -3.521 6.588 1.00 0.00 C ATOM 799 CD1 PHE A 53 18.788 -3.479 5.222 1.00 0.00 C ATOM 800 CD2 PHE A 53 18.363 -4.752 7.193 1.00 0.00 C ATOM 801 CE1 PHE A 53 18.818 -4.642 4.475 1.00 0.00 C ATOM 802 CE2 PHE A 53 18.392 -5.918 6.451 1.00 0.00 C ATOM 803 CZ PHE A 53 18.621 -5.862 5.090 1.00 0.00 C ATOM 0 H PHE A 53 18.085 -0.240 8.743 1.00 0.00 H new ATOM 0 HA PHE A 53 16.829 -1.299 6.492 1.00 0.00 H new ATOM 0 HB2 PHE A 53 19.217 -1.535 6.958 1.00 0.00 H new ATOM 0 HB3 PHE A 53 18.886 -2.469 8.404 1.00 0.00 H new ATOM 0 HD1 PHE A 53 18.944 -2.527 4.735 1.00 0.00 H new ATOM 0 HD2 PHE A 53 18.185 -4.801 8.257 1.00 0.00 H new ATOM 0 HE1 PHE A 53 18.996 -4.596 3.411 1.00 0.00 H new ATOM 0 HE2 PHE A 53 18.236 -6.871 6.935 1.00 0.00 H new ATOM 0 HZ PHE A 53 18.646 -6.771 4.508 1.00 0.00 H new ATOM 813 N PHE A 54 16.193 -2.947 9.286 1.00 0.00 N ATOM 814 CA PHE A 54 15.288 -3.915 9.895 1.00 0.00 C ATOM 815 C PHE A 54 13.837 -3.600 9.542 1.00 0.00 C ATOM 816 O PHE A 54 13.087 -4.476 9.111 1.00 0.00 O ATOM 817 CB PHE A 54 15.464 -3.924 11.415 1.00 0.00 C ATOM 818 CG PHE A 54 16.516 -4.885 11.890 1.00 0.00 C ATOM 819 CD1 PHE A 54 17.819 -4.791 11.430 1.00 0.00 C ATOM 820 CD2 PHE A 54 16.200 -5.884 12.797 1.00 0.00 C ATOM 821 CE1 PHE A 54 18.789 -5.673 11.866 1.00 0.00 C ATOM 822 CE2 PHE A 54 17.166 -6.770 13.237 1.00 0.00 C ATOM 823 CZ PHE A 54 18.462 -6.665 12.770 1.00 0.00 C ATOM 0 H PHE A 54 16.862 -2.530 9.933 1.00 0.00 H new ATOM 0 HA PHE A 54 15.534 -4.901 9.502 1.00 0.00 H new ATOM 0 HB2 PHE A 54 15.723 -2.919 11.749 1.00 0.00 H new ATOM 0 HB3 PHE A 54 14.513 -4.179 11.882 1.00 0.00 H new ATOM 0 HD1 PHE A 54 18.080 -4.019 10.722 1.00 0.00 H new ATOM 0 HD2 PHE A 54 15.188 -5.971 13.164 1.00 0.00 H new ATOM 0 HE1 PHE A 54 19.802 -5.587 11.500 1.00 0.00 H new ATOM 0 HE2 PHE A 54 16.908 -7.543 13.945 1.00 0.00 H new ATOM 0 HZ PHE A 54 19.218 -7.357 13.111 1.00 0.00 H new ATOM 833 N ASP A 55 13.449 -2.343 9.729 1.00 0.00 N ATOM 834 CA ASP A 55 12.088 -1.911 9.431 1.00 0.00 C ATOM 835 C ASP A 55 11.832 -1.923 7.927 1.00 0.00 C ATOM 836 O ASP A 55 11.805 -0.874 7.283 1.00 0.00 O ATOM 837 CB ASP A 55 11.841 -0.510 9.991 1.00 0.00 C ATOM 838 CG ASP A 55 10.370 -0.236 10.238 1.00 0.00 C ATOM 839 OD1 ASP A 55 9.565 -0.436 9.305 1.00 0.00 O ATOM 840 OD2 ASP A 55 10.025 0.180 11.364 1.00 0.00 O ATOM 0 H ASP A 55 14.057 -1.606 10.085 1.00 0.00 H new ATOM 0 HA ASP A 55 11.399 -2.610 9.905 1.00 0.00 H new ATOM 0 HB2 ASP A 55 12.391 -0.393 10.925 1.00 0.00 H new ATOM 0 HB3 ASP A 55 12.234 0.231 9.295 1.00 0.00 H new ATOM 845 N PHE A 56 11.644 -3.116 7.373 1.00 0.00 N ATOM 846 CA PHE A 56 11.392 -3.265 5.945 1.00 0.00 C ATOM 847 C PHE A 56 10.074 -2.604 5.553 1.00 0.00 C ATOM 848 O PHE A 56 10.031 -1.765 4.655 1.00 0.00 O ATOM 849 CB PHE A 56 11.367 -4.746 5.561 1.00 0.00 C ATOM 850 CG PHE A 56 12.154 -5.621 6.496 1.00 0.00 C ATOM 851 CD1 PHE A 56 11.567 -6.141 7.638 1.00 0.00 C ATOM 852 CD2 PHE A 56 13.480 -5.922 6.232 1.00 0.00 C ATOM 853 CE1 PHE A 56 12.288 -6.946 8.499 1.00 0.00 C ATOM 854 CE2 PHE A 56 14.206 -6.727 7.089 1.00 0.00 C ATOM 855 CZ PHE A 56 13.609 -7.239 8.225 1.00 0.00 C ATOM 0 H PHE A 56 11.661 -3.994 7.892 1.00 0.00 H new ATOM 0 HA PHE A 56 12.200 -2.771 5.406 1.00 0.00 H new ATOM 0 HB2 PHE A 56 10.333 -5.090 5.538 1.00 0.00 H new ATOM 0 HB3 PHE A 56 11.763 -4.858 4.552 1.00 0.00 H new ATOM 0 HD1 PHE A 56 10.534 -5.915 7.858 1.00 0.00 H new ATOM 0 HD2 PHE A 56 13.952 -5.523 5.346 1.00 0.00 H new ATOM 0 HE1 PHE A 56 11.818 -7.346 9.386 1.00 0.00 H new ATOM 0 HE2 PHE A 56 15.239 -6.956 6.871 1.00 0.00 H new ATOM 0 HZ PHE A 56 14.175 -7.867 8.897 1.00 0.00 H new ATOM 865 N GLU A 57 9.000 -2.991 6.235 1.00 0.00 N ATOM 866 CA GLU A 57 7.679 -2.438 5.957 1.00 0.00 C ATOM 867 C GLU A 57 7.756 -0.929 5.743 1.00 0.00 C ATOM 868 O GLU A 57 7.343 -0.416 4.704 1.00 0.00 O ATOM 869 CB GLU A 57 6.718 -2.752 7.106 1.00 0.00 C ATOM 870 CG GLU A 57 6.736 -4.211 7.532 1.00 0.00 C ATOM 871 CD GLU A 57 5.665 -4.533 8.556 1.00 0.00 C ATOM 872 OE1 GLU A 57 5.680 -3.920 9.644 1.00 0.00 O ATOM 873 OE2 GLU A 57 4.811 -5.398 8.268 1.00 0.00 O ATOM 0 H GLU A 57 9.019 -3.684 6.983 1.00 0.00 H new ATOM 0 HA GLU A 57 7.305 -2.900 5.043 1.00 0.00 H new ATOM 0 HB2 GLU A 57 6.973 -2.129 7.963 1.00 0.00 H new ATOM 0 HB3 GLU A 57 5.705 -2.482 6.806 1.00 0.00 H new ATOM 0 HG2 GLU A 57 6.597 -4.843 6.655 1.00 0.00 H new ATOM 0 HG3 GLU A 57 7.715 -4.452 7.947 1.00 0.00 H new ATOM 880 N GLY A 58 8.289 -0.222 6.736 1.00 0.00 N ATOM 881 CA GLY A 58 8.410 1.221 6.638 1.00 0.00 C ATOM 882 C GLY A 58 9.423 1.648 5.594 1.00 0.00 C ATOM 883 O GLY A 58 9.315 2.732 5.020 1.00 0.00 O ATOM 0 H GLY A 58 8.639 -0.623 7.606 1.00 0.00 H new ATOM 0 HA2 GLY A 58 7.438 1.648 6.393 1.00 0.00 H new ATOM 0 HA3 GLY A 58 8.700 1.625 7.608 1.00 0.00 H new ATOM 887 N LYS A 59 10.411 0.795 5.347 1.00 0.00 N ATOM 888 CA LYS A 59 11.449 1.089 4.366 1.00 0.00 C ATOM 889 C LYS A 59 10.838 1.385 3.000 1.00 0.00 C ATOM 890 O LYS A 59 11.040 2.463 2.441 1.00 0.00 O ATOM 891 CB LYS A 59 12.423 -0.087 4.256 1.00 0.00 C ATOM 892 CG LYS A 59 13.681 0.238 3.469 1.00 0.00 C ATOM 893 CD LYS A 59 14.784 -0.771 3.740 1.00 0.00 C ATOM 894 CE LYS A 59 14.337 -2.188 3.412 1.00 0.00 C ATOM 895 NZ LYS A 59 15.480 -3.048 2.997 1.00 0.00 N ATOM 0 H LYS A 59 10.515 -0.106 5.813 1.00 0.00 H new ATOM 0 HA LYS A 59 11.992 1.973 4.702 1.00 0.00 H new ATOM 0 HB2 LYS A 59 12.705 -0.410 5.258 1.00 0.00 H new ATOM 0 HB3 LYS A 59 11.914 -0.926 3.782 1.00 0.00 H new ATOM 0 HG2 LYS A 59 13.452 0.250 2.403 1.00 0.00 H new ATOM 0 HG3 LYS A 59 14.028 1.237 3.732 1.00 0.00 H new ATOM 0 HD2 LYS A 59 15.663 -0.519 3.146 1.00 0.00 H new ATOM 0 HD3 LYS A 59 15.080 -0.715 4.787 1.00 0.00 H new ATOM 0 HE2 LYS A 59 13.850 -2.626 4.283 1.00 0.00 H new ATOM 0 HE3 LYS A 59 13.595 -2.159 2.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 15.134 -4.005 2.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 15.929 -2.644 2.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 16.176 -3.096 3.768 1.00 0.00 H new ATOM 909 N GLN A 60 10.089 0.424 2.470 1.00 0.00 N ATOM 910 CA GLN A 60 9.449 0.584 1.170 1.00 0.00 C ATOM 911 C GLN A 60 8.606 1.854 1.131 1.00 0.00 C ATOM 912 O GLN A 60 8.688 2.638 0.185 1.00 0.00 O ATOM 913 CB GLN A 60 8.575 -0.632 0.855 1.00 0.00 C ATOM 914 CG GLN A 60 7.652 -1.030 1.996 1.00 0.00 C ATOM 915 CD GLN A 60 6.833 -2.266 1.680 1.00 0.00 C ATOM 916 OE1 GLN A 60 6.736 -3.185 2.493 1.00 0.00 O ATOM 917 NE2 GLN A 60 6.238 -2.294 0.493 1.00 0.00 N ATOM 0 H GLN A 60 9.910 -0.473 2.921 1.00 0.00 H new ATOM 0 HA GLN A 60 10.232 0.666 0.416 1.00 0.00 H new ATOM 0 HB2 GLN A 60 7.975 -0.418 -0.029 1.00 0.00 H new ATOM 0 HB3 GLN A 60 9.218 -1.477 0.607 1.00 0.00 H new ATOM 0 HG2 GLN A 60 8.246 -1.211 2.892 1.00 0.00 H new ATOM 0 HG3 GLN A 60 6.980 -0.201 2.221 1.00 0.00 H new ATOM 0 HE21 GLN A 60 6.346 -1.510 -0.150 1.00 0.00 H new ATOM 0 HE22 GLN A 60 5.673 -3.100 0.224 1.00 0.00 H new ATOM 926 N LYS A 61 7.795 2.052 2.165 1.00 0.00 N ATOM 927 CA LYS A 61 6.937 3.228 2.251 1.00 0.00 C ATOM 928 C LYS A 61 7.752 4.509 2.103 1.00 0.00 C ATOM 929 O LYS A 61 7.529 5.294 1.183 1.00 0.00 O ATOM 930 CB LYS A 61 6.186 3.240 3.584 1.00 0.00 C ATOM 931 CG LYS A 61 5.328 2.007 3.810 1.00 0.00 C ATOM 932 CD LYS A 61 4.404 2.182 5.004 1.00 0.00 C ATOM 933 CE LYS A 61 3.067 2.778 4.591 1.00 0.00 C ATOM 934 NZ LYS A 61 2.260 3.200 5.770 1.00 0.00 N ATOM 0 H LYS A 61 7.714 1.413 2.956 1.00 0.00 H new ATOM 0 HA LYS A 61 6.216 3.181 1.435 1.00 0.00 H new ATOM 0 HB2 LYS A 61 6.907 3.324 4.397 1.00 0.00 H new ATOM 0 HB3 LYS A 61 5.552 4.126 3.627 1.00 0.00 H new ATOM 0 HG2 LYS A 61 4.736 1.806 2.917 1.00 0.00 H new ATOM 0 HG3 LYS A 61 5.970 1.140 3.969 1.00 0.00 H new ATOM 0 HD2 LYS A 61 4.241 1.217 5.484 1.00 0.00 H new ATOM 0 HD3 LYS A 61 4.879 2.828 5.742 1.00 0.00 H new ATOM 0 HE2 LYS A 61 3.237 3.636 3.941 1.00 0.00 H new ATOM 0 HE3 LYS A 61 2.506 2.045 4.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 1.669 4.016 5.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 1.651 2.414 6.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 2.896 3.465 6.549 1.00 0.00 H new ATOM 948 N TRP A 62 8.698 4.711 3.014 1.00 0.00 N ATOM 949 CA TRP A 62 9.547 5.896 2.983 1.00 0.00 C ATOM 950 C TRP A 62 10.148 6.099 1.596 1.00 0.00 C ATOM 951 O TRP A 62 10.208 7.222 1.096 1.00 0.00 O ATOM 952 CB TRP A 62 10.663 5.776 4.023 1.00 0.00 C ATOM 953 CG TRP A 62 11.511 7.008 4.129 1.00 0.00 C ATOM 954 CD1 TRP A 62 11.261 8.111 4.893 1.00 0.00 C ATOM 955 CD2 TRP A 62 12.743 7.261 3.445 1.00 0.00 C ATOM 956 NE1 TRP A 62 12.265 9.035 4.727 1.00 0.00 N ATOM 957 CE2 TRP A 62 13.186 8.537 3.844 1.00 0.00 C ATOM 958 CE3 TRP A 62 13.517 6.533 2.537 1.00 0.00 C ATOM 959 CZ2 TRP A 62 14.366 9.098 3.364 1.00 0.00 C ATOM 960 CZ3 TRP A 62 14.688 7.092 2.062 1.00 0.00 C ATOM 961 CH2 TRP A 62 15.104 8.364 2.476 1.00 0.00 C ATOM 0 H TRP A 62 8.896 4.070 3.782 1.00 0.00 H new ATOM 0 HA TRP A 62 8.929 6.762 3.221 1.00 0.00 H new ATOM 0 HB2 TRP A 62 10.221 5.563 4.996 1.00 0.00 H new ATOM 0 HB3 TRP A 62 11.298 4.927 3.768 1.00 0.00 H new ATOM 0 HD1 TRP A 62 10.401 8.239 5.534 1.00 0.00 H new ATOM 0 HE1 TRP A 62 12.316 9.944 5.187 1.00 0.00 H new ATOM 0 HE3 TRP A 62 13.205 5.551 2.212 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 14.688 10.079 3.682 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 15.293 6.539 1.359 1.00 0.00 H new ATOM 0 HH2 TRP A 62 16.025 8.773 2.087 1.00 0.00 H new ATOM 972 N GLU A 63 10.590 5.007 0.982 1.00 0.00 N ATOM 973 CA GLU A 63 11.187 5.068 -0.348 1.00 0.00 C ATOM 974 C GLU A 63 10.192 5.619 -1.365 1.00 0.00 C ATOM 975 O GLU A 63 10.379 6.710 -1.903 1.00 0.00 O ATOM 976 CB GLU A 63 11.661 3.680 -0.782 1.00 0.00 C ATOM 977 CG GLU A 63 12.916 3.213 -0.064 1.00 0.00 C ATOM 978 CD GLU A 63 13.729 2.233 -0.887 1.00 0.00 C ATOM 979 OE1 GLU A 63 13.783 2.398 -2.124 1.00 0.00 O ATOM 980 OE2 GLU A 63 14.313 1.302 -0.294 1.00 0.00 O ATOM 0 H GLU A 63 10.547 4.070 1.383 1.00 0.00 H new ATOM 0 HA GLU A 63 12.045 5.739 -0.304 1.00 0.00 H new ATOM 0 HB2 GLU A 63 10.862 2.960 -0.604 1.00 0.00 H new ATOM 0 HB3 GLU A 63 11.849 3.689 -1.856 1.00 0.00 H new ATOM 0 HG2 GLU A 63 13.534 4.077 0.179 1.00 0.00 H new ATOM 0 HG3 GLU A 63 12.637 2.745 0.880 1.00 0.00 H new ATOM 987 N ALA A 64 9.135 4.856 -1.624 1.00 0.00 N ATOM 988 CA ALA A 64 8.110 5.268 -2.576 1.00 0.00 C ATOM 989 C ALA A 64 7.785 6.750 -2.425 1.00 0.00 C ATOM 990 O ALA A 64 7.828 7.507 -3.395 1.00 0.00 O ATOM 991 CB ALA A 64 6.854 4.429 -2.394 1.00 0.00 C ATOM 0 H ALA A 64 8.966 3.949 -1.188 1.00 0.00 H new ATOM 0 HA ALA A 64 8.498 5.109 -3.582 1.00 0.00 H new ATOM 0 HB1 ALA A 64 6.097 4.747 -3.111 1.00 0.00 H new ATOM 0 HB2 ALA A 64 7.091 3.378 -2.559 1.00 0.00 H new ATOM 0 HB3 ALA A 64 6.473 4.560 -1.381 1.00 0.00 H new ATOM 997 N TRP A 65 7.460 7.158 -1.203 1.00 0.00 N ATOM 998 CA TRP A 65 7.126 8.551 -0.927 1.00 0.00 C ATOM 999 C TRP A 65 8.352 9.445 -1.080 1.00 0.00 C ATOM 1000 O TRP A 65 8.244 10.595 -1.507 1.00 0.00 O ATOM 1001 CB TRP A 65 6.553 8.688 0.485 1.00 0.00 C ATOM 1002 CG TRP A 65 6.296 10.110 0.886 1.00 0.00 C ATOM 1003 CD1 TRP A 65 5.969 11.147 0.060 1.00 0.00 C ATOM 1004 CD2 TRP A 65 6.346 10.649 2.211 1.00 0.00 C ATOM 1005 NE1 TRP A 65 5.813 12.299 0.793 1.00 0.00 N ATOM 1006 CE2 TRP A 65 6.038 12.020 2.115 1.00 0.00 C ATOM 1007 CE3 TRP A 65 6.620 10.106 3.470 1.00 0.00 C ATOM 1008 CZ2 TRP A 65 5.998 12.853 3.230 1.00 0.00 C ATOM 1009 CZ3 TRP A 65 6.580 10.935 4.575 1.00 0.00 C ATOM 1010 CH2 TRP A 65 6.270 12.296 4.449 1.00 0.00 C ATOM 0 H TRP A 65 7.421 6.545 -0.389 1.00 0.00 H new ATOM 0 HA TRP A 65 6.375 8.869 -1.650 1.00 0.00 H new ATOM 0 HB2 TRP A 65 5.621 8.126 0.547 1.00 0.00 H new ATOM 0 HB3 TRP A 65 7.245 8.237 1.196 1.00 0.00 H new ATOM 0 HD1 TRP A 65 5.850 11.073 -1.011 1.00 0.00 H new ATOM 0 HE1 TRP A 65 5.569 13.214 0.414 1.00 0.00 H new ATOM 0 HE3 TRP A 65 6.858 9.058 3.577 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 5.760 13.902 3.135 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 6.791 10.527 5.552 1.00 0.00 H new ATOM 0 HH2 TRP A 65 6.245 12.917 5.332 1.00 0.00 H new ATOM 1021 N LYS A 66 9.516 8.910 -0.730 1.00 0.00 N ATOM 1022 CA LYS A 66 10.764 9.659 -0.831 1.00 0.00 C ATOM 1023 C LYS A 66 11.038 10.068 -2.274 1.00 0.00 C ATOM 1024 O LYS A 66 11.511 11.173 -2.537 1.00 0.00 O ATOM 1025 CB LYS A 66 11.929 8.823 -0.296 1.00 0.00 C ATOM 1026 CG LYS A 66 13.293 9.424 -0.588 1.00 0.00 C ATOM 1027 CD LYS A 66 13.541 10.673 0.243 1.00 0.00 C ATOM 1028 CE LYS A 66 14.588 11.570 -0.399 1.00 0.00 C ATOM 1029 NZ LYS A 66 14.489 12.974 0.087 1.00 0.00 N ATOM 0 H LYS A 66 9.622 7.960 -0.374 1.00 0.00 H new ATOM 0 HA LYS A 66 10.666 10.562 -0.229 1.00 0.00 H new ATOM 0 HB2 LYS A 66 11.816 8.706 0.782 1.00 0.00 H new ATOM 0 HB3 LYS A 66 11.880 7.825 -0.732 1.00 0.00 H new ATOM 0 HG2 LYS A 66 14.069 8.687 -0.380 1.00 0.00 H new ATOM 0 HG3 LYS A 66 13.364 9.671 -1.647 1.00 0.00 H new ATOM 0 HD2 LYS A 66 12.609 11.225 0.359 1.00 0.00 H new ATOM 0 HD3 LYS A 66 13.868 10.387 1.243 1.00 0.00 H new ATOM 0 HE2 LYS A 66 15.582 11.180 -0.182 1.00 0.00 H new ATOM 0 HE3 LYS A 66 14.467 11.551 -1.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 15.219 13.553 -0.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 13.549 13.355 -0.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 14.629 12.995 1.117 1.00 0.00 H new ATOM 1043 N ALA A 67 10.736 9.170 -3.207 1.00 0.00 N ATOM 1044 CA ALA A 67 10.947 9.440 -4.623 1.00 0.00 C ATOM 1045 C ALA A 67 10.165 10.671 -5.070 1.00 0.00 C ATOM 1046 O ALA A 67 10.560 11.362 -6.010 1.00 0.00 O ATOM 1047 CB ALA A 67 10.550 8.230 -5.456 1.00 0.00 C ATOM 0 H ALA A 67 10.345 8.250 -3.007 1.00 0.00 H new ATOM 0 HA ALA A 67 12.008 9.640 -4.775 1.00 0.00 H new ATOM 0 HB1 ALA A 67 10.713 8.446 -6.512 1.00 0.00 H new ATOM 0 HB2 ALA A 67 11.156 7.372 -5.163 1.00 0.00 H new ATOM 0 HB3 ALA A 67 9.497 8.004 -5.290 1.00 0.00 H new ATOM 1053 N LEU A 68 9.054 10.938 -4.393 1.00 0.00 N ATOM 1054 CA LEU A 68 8.216 12.086 -4.721 1.00 0.00 C ATOM 1055 C LEU A 68 8.682 13.332 -3.975 1.00 0.00 C ATOM 1056 O LEU A 68 7.903 13.976 -3.273 1.00 0.00 O ATOM 1057 CB LEU A 68 6.755 11.790 -4.379 1.00 0.00 C ATOM 1058 CG LEU A 68 6.209 10.448 -4.870 1.00 0.00 C ATOM 1059 CD1 LEU A 68 4.854 10.161 -4.242 1.00 0.00 C ATOM 1060 CD2 LEU A 68 6.108 10.438 -6.388 1.00 0.00 C ATOM 0 H LEU A 68 8.712 10.375 -3.614 1.00 0.00 H new ATOM 0 HA LEU A 68 8.302 12.273 -5.791 1.00 0.00 H new ATOM 0 HB2 LEU A 68 6.641 11.832 -3.296 1.00 0.00 H new ATOM 0 HB3 LEU A 68 6.137 12.585 -4.796 1.00 0.00 H new ATOM 0 HG LEU A 68 6.901 9.662 -4.566 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.481 9.202 -4.603 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.956 10.126 -3.157 1.00 0.00 H new ATOM 0 HD13 LEU A 68 4.152 10.949 -4.515 1.00 0.00 H new ATOM 0 HD21 LEU A 68 5.718 9.476 -6.720 1.00 0.00 H new ATOM 0 HD22 LEU A 68 5.438 11.233 -6.713 1.00 0.00 H new ATOM 0 HD23 LEU A 68 7.096 10.597 -6.819 1.00 0.00 H new ATOM 1072 N GLY A 69 9.959 13.668 -4.133 1.00 0.00 N ATOM 1073 CA GLY A 69 10.507 14.836 -3.470 1.00 0.00 C ATOM 1074 C GLY A 69 10.121 16.129 -4.162 1.00 0.00 C ATOM 1075 O GLY A 69 9.852 17.136 -3.506 1.00 0.00 O ATOM 0 H GLY A 69 10.624 13.151 -4.709 1.00 0.00 H new ATOM 0 HA2 GLY A 69 10.158 14.861 -2.438 1.00 0.00 H new ATOM 0 HA3 GLY A 69 11.594 14.755 -3.437 1.00 0.00 H new ATOM 1079 N ASP A 70 10.096 16.103 -5.490 1.00 0.00 N ATOM 1080 CA ASP A 70 9.742 17.282 -6.272 1.00 0.00 C ATOM 1081 C ASP A 70 8.428 17.065 -7.016 1.00 0.00 C ATOM 1082 O ASP A 70 8.248 17.553 -8.132 1.00 0.00 O ATOM 1083 CB ASP A 70 10.856 17.616 -7.264 1.00 0.00 C ATOM 1084 CG ASP A 70 10.559 18.866 -8.070 1.00 0.00 C ATOM 1085 OD1 ASP A 70 10.274 19.915 -7.454 1.00 0.00 O ATOM 1086 OD2 ASP A 70 10.612 18.795 -9.315 1.00 0.00 O ATOM 0 H ASP A 70 10.317 15.278 -6.048 1.00 0.00 H new ATOM 0 HA ASP A 70 9.616 18.119 -5.585 1.00 0.00 H new ATOM 0 HB2 ASP A 70 11.792 17.750 -6.722 1.00 0.00 H new ATOM 0 HB3 ASP A 70 10.998 16.775 -7.943 1.00 0.00 H new ATOM 1091 N SER A 71 7.514 16.331 -6.391 1.00 0.00 N ATOM 1092 CA SER A 71 6.218 16.045 -6.997 1.00 0.00 C ATOM 1093 C SER A 71 5.167 17.046 -6.527 1.00 0.00 C ATOM 1094 O SER A 71 5.460 17.950 -5.745 1.00 0.00 O ATOM 1095 CB SER A 71 5.773 14.622 -6.653 1.00 0.00 C ATOM 1096 OG SER A 71 6.368 13.678 -7.526 1.00 0.00 O ATOM 0 H SER A 71 7.646 15.923 -5.465 1.00 0.00 H new ATOM 0 HA SER A 71 6.322 16.134 -8.078 1.00 0.00 H new ATOM 0 HB2 SER A 71 6.045 14.391 -5.623 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.687 14.551 -6.720 1.00 0.00 H new ATOM 0 HG SER A 71 5.677 13.084 -7.885 1.00 0.00 H new ATOM 1102 N SER A 72 3.940 16.878 -7.011 1.00 0.00 N ATOM 1103 CA SER A 72 2.845 17.768 -6.645 1.00 0.00 C ATOM 1104 C SER A 72 1.661 16.976 -6.097 1.00 0.00 C ATOM 1105 O SER A 72 1.538 15.769 -6.308 1.00 0.00 O ATOM 1106 CB SER A 72 2.404 18.593 -7.856 1.00 0.00 C ATOM 1107 OG SER A 72 3.128 19.809 -7.934 1.00 0.00 O ATOM 0 H SER A 72 3.680 16.133 -7.658 1.00 0.00 H new ATOM 0 HA SER A 72 3.202 18.441 -5.866 1.00 0.00 H new ATOM 0 HB2 SER A 72 2.556 18.016 -8.768 1.00 0.00 H new ATOM 0 HB3 SER A 72 1.337 18.805 -7.787 1.00 0.00 H new ATOM 0 HG SER A 72 2.830 20.318 -8.717 1.00 0.00 H new ATOM 1113 N PRO A 73 0.769 17.670 -5.376 1.00 0.00 N ATOM 1114 CA PRO A 73 -0.421 17.054 -4.782 1.00 0.00 C ATOM 1115 C PRO A 73 -1.446 16.641 -5.834 1.00 0.00 C ATOM 1116 O PRO A 73 -1.917 15.504 -5.843 1.00 0.00 O ATOM 1117 CB PRO A 73 -0.987 18.161 -3.890 1.00 0.00 C ATOM 1118 CG PRO A 73 -0.496 19.428 -4.501 1.00 0.00 C ATOM 1119 CD PRO A 73 0.853 19.111 -5.084 1.00 0.00 C ATOM 0 HA PRO A 73 -0.180 16.137 -4.244 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -2.076 18.130 -3.864 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -0.640 18.057 -2.862 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -1.181 19.781 -5.272 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -0.422 20.219 -3.754 1.00 0.00 H new ATOM 0 HD2 PRO A 73 1.048 19.693 -5.985 1.00 0.00 H new ATOM 0 HD3 PRO A 73 1.656 19.332 -4.381 1.00 0.00 H new ATOM 1127 N SER A 74 -1.786 17.573 -6.719 1.00 0.00 N ATOM 1128 CA SER A 74 -2.757 17.306 -7.774 1.00 0.00 C ATOM 1129 C SER A 74 -2.252 16.217 -8.715 1.00 0.00 C ATOM 1130 O SER A 74 -3.023 15.377 -9.179 1.00 0.00 O ATOM 1131 CB SER A 74 -3.048 18.584 -8.563 1.00 0.00 C ATOM 1132 OG SER A 74 -2.980 19.726 -7.727 1.00 0.00 O ATOM 0 H SER A 74 -1.404 18.519 -6.726 1.00 0.00 H new ATOM 0 HA SER A 74 -3.678 16.958 -7.307 1.00 0.00 H new ATOM 0 HB2 SER A 74 -2.331 18.683 -9.378 1.00 0.00 H new ATOM 0 HB3 SER A 74 -4.038 18.519 -9.015 1.00 0.00 H new ATOM 0 HG SER A 74 -3.168 20.530 -8.255 1.00 0.00 H new ATOM 1138 N GLN A 75 -0.953 16.239 -8.993 1.00 0.00 N ATOM 1139 CA GLN A 75 -0.345 15.254 -9.879 1.00 0.00 C ATOM 1140 C GLN A 75 -0.293 13.882 -9.215 1.00 0.00 C ATOM 1141 O GLN A 75 -0.199 12.858 -9.890 1.00 0.00 O ATOM 1142 CB GLN A 75 1.065 15.695 -10.276 1.00 0.00 C ATOM 1143 CG GLN A 75 1.092 16.956 -11.125 1.00 0.00 C ATOM 1144 CD GLN A 75 2.443 17.197 -11.770 1.00 0.00 C ATOM 1145 OE1 GLN A 75 3.397 17.604 -11.106 1.00 0.00 O ATOM 1146 NE2 GLN A 75 2.531 16.945 -13.071 1.00 0.00 N ATOM 0 H GLN A 75 -0.301 16.928 -8.618 1.00 0.00 H new ATOM 0 HA GLN A 75 -0.961 15.180 -10.775 1.00 0.00 H new ATOM 0 HB2 GLN A 75 1.652 15.862 -9.373 1.00 0.00 H new ATOM 0 HB3 GLN A 75 1.548 14.887 -10.825 1.00 0.00 H new ATOM 0 HG2 GLN A 75 0.331 16.883 -11.902 1.00 0.00 H new ATOM 0 HG3 GLN A 75 0.832 17.813 -10.504 1.00 0.00 H new ATOM 0 HE21 GLN A 75 1.715 16.609 -13.582 1.00 0.00 H new ATOM 0 HE22 GLN A 75 3.415 17.088 -13.559 1.00 0.00 H new ATOM 1155 N ALA A 76 -0.354 13.870 -7.887 1.00 0.00 N ATOM 1156 CA ALA A 76 -0.316 12.624 -7.132 1.00 0.00 C ATOM 1157 C ALA A 76 -1.694 11.972 -7.079 1.00 0.00 C ATOM 1158 O ALA A 76 -1.809 10.751 -6.978 1.00 0.00 O ATOM 1159 CB ALA A 76 0.206 12.876 -5.725 1.00 0.00 C ATOM 0 H ALA A 76 -0.430 14.709 -7.312 1.00 0.00 H new ATOM 0 HA ALA A 76 0.361 11.939 -7.642 1.00 0.00 H new ATOM 0 HB1 ALA A 76 0.229 11.937 -5.172 1.00 0.00 H new ATOM 0 HB2 ALA A 76 1.213 13.290 -5.779 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -0.450 13.582 -5.215 1.00 0.00 H new ATOM 1165 N MET A 77 -2.735 12.794 -7.146 1.00 0.00 N ATOM 1166 CA MET A 77 -4.105 12.296 -7.106 1.00 0.00 C ATOM 1167 C MET A 77 -4.493 11.663 -8.438 1.00 0.00 C ATOM 1168 O MET A 77 -5.214 10.666 -8.475 1.00 0.00 O ATOM 1169 CB MET A 77 -5.074 13.431 -6.766 1.00 0.00 C ATOM 1170 CG MET A 77 -4.885 13.992 -5.366 1.00 0.00 C ATOM 1171 SD MET A 77 -6.062 15.303 -4.979 1.00 0.00 S ATOM 1172 CE MET A 77 -5.015 16.442 -4.078 1.00 0.00 C ATOM 0 H MET A 77 -2.657 13.808 -7.228 1.00 0.00 H new ATOM 0 HA MET A 77 -4.164 11.533 -6.330 1.00 0.00 H new ATOM 0 HB2 MET A 77 -4.948 14.235 -7.491 1.00 0.00 H new ATOM 0 HB3 MET A 77 -6.097 13.068 -6.868 1.00 0.00 H new ATOM 0 HG2 MET A 77 -4.991 13.187 -4.639 1.00 0.00 H new ATOM 0 HG3 MET A 77 -3.871 14.379 -5.267 1.00 0.00 H new ATOM 0 HE1 MET A 77 -5.600 17.308 -3.770 1.00 0.00 H new ATOM 0 HE2 MET A 77 -4.611 15.945 -3.196 1.00 0.00 H new ATOM 0 HE3 MET A 77 -4.195 16.767 -4.719 1.00 0.00 H new ATOM 1182 N GLN A 78 -4.010 12.249 -9.529 1.00 0.00 N ATOM 1183 CA GLN A 78 -4.308 11.741 -10.863 1.00 0.00 C ATOM 1184 C GLN A 78 -3.967 10.259 -10.971 1.00 0.00 C ATOM 1185 O GLN A 78 -4.739 9.473 -11.519 1.00 0.00 O ATOM 1186 CB GLN A 78 -3.533 12.533 -11.918 1.00 0.00 C ATOM 1187 CG GLN A 78 -3.898 14.008 -11.963 1.00 0.00 C ATOM 1188 CD GLN A 78 -3.588 14.646 -13.302 1.00 0.00 C ATOM 1189 OE1 GLN A 78 -2.521 14.425 -13.876 1.00 0.00 O ATOM 1190 NE2 GLN A 78 -4.521 15.442 -13.809 1.00 0.00 N ATOM 0 H GLN A 78 -3.411 13.075 -9.515 1.00 0.00 H new ATOM 0 HA GLN A 78 -5.377 11.862 -11.040 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -2.465 12.438 -11.720 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -3.716 12.092 -12.898 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -4.960 14.122 -11.748 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -3.356 14.536 -11.179 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -5.391 15.597 -13.299 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -4.368 15.898 -14.708 1.00 0.00 H new ATOM 1199 N GLU A 79 -2.805 9.884 -10.444 1.00 0.00 N ATOM 1200 CA GLU A 79 -2.362 8.495 -10.482 1.00 0.00 C ATOM 1201 C GLU A 79 -3.019 7.684 -9.369 1.00 0.00 C ATOM 1202 O GLU A 79 -3.353 6.513 -9.554 1.00 0.00 O ATOM 1203 CB GLU A 79 -0.839 8.419 -10.352 1.00 0.00 C ATOM 1204 CG GLU A 79 -0.097 9.152 -11.457 1.00 0.00 C ATOM 1205 CD GLU A 79 1.370 8.775 -11.523 1.00 0.00 C ATOM 1206 OE1 GLU A 79 2.064 8.905 -10.493 1.00 0.00 O ATOM 1207 OE2 GLU A 79 1.825 8.350 -12.606 1.00 0.00 O ATOM 0 H GLU A 79 -2.154 10.522 -9.986 1.00 0.00 H new ATOM 0 HA GLU A 79 -2.660 8.071 -11.441 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -0.544 8.836 -9.389 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -0.534 7.372 -10.353 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -0.569 8.931 -12.415 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -0.185 10.227 -11.298 1.00 0.00 H new ATOM 1214 N TYR A 80 -3.202 8.314 -8.214 1.00 0.00 N ATOM 1215 CA TYR A 80 -3.816 7.651 -7.070 1.00 0.00 C ATOM 1216 C TYR A 80 -5.238 7.204 -7.398 1.00 0.00 C ATOM 1217 O TYR A 80 -5.734 6.221 -6.848 1.00 0.00 O ATOM 1218 CB TYR A 80 -3.829 8.584 -5.859 1.00 0.00 C ATOM 1219 CG TYR A 80 -4.489 7.984 -4.639 1.00 0.00 C ATOM 1220 CD1 TYR A 80 -5.873 7.967 -4.510 1.00 0.00 C ATOM 1221 CD2 TYR A 80 -3.730 7.434 -3.613 1.00 0.00 C ATOM 1222 CE1 TYR A 80 -6.480 7.420 -3.396 1.00 0.00 C ATOM 1223 CE2 TYR A 80 -4.329 6.883 -2.497 1.00 0.00 C ATOM 1224 CZ TYR A 80 -5.704 6.879 -2.393 1.00 0.00 C ATOM 1225 OH TYR A 80 -6.304 6.333 -1.282 1.00 0.00 O ATOM 0 H TYR A 80 -2.934 9.284 -8.045 1.00 0.00 H new ATOM 0 HA TYR A 80 -3.223 6.768 -6.833 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -2.803 8.856 -5.610 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -4.347 9.505 -6.126 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -6.484 8.389 -5.294 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -2.653 7.437 -3.690 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -7.557 7.416 -3.311 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -3.724 6.458 -1.710 1.00 0.00 H new ATOM 0 HH TYR A 80 -5.616 5.995 -0.672 1.00 0.00 H new ATOM 1235 N ILE A 81 -5.887 7.934 -8.299 1.00 0.00 N ATOM 1236 CA ILE A 81 -7.250 7.613 -8.703 1.00 0.00 C ATOM 1237 C ILE A 81 -7.262 6.622 -9.862 1.00 0.00 C ATOM 1238 O ILE A 81 -7.718 5.488 -9.717 1.00 0.00 O ATOM 1239 CB ILE A 81 -8.027 8.878 -9.115 1.00 0.00 C ATOM 1240 CG1 ILE A 81 -8.627 9.559 -7.883 1.00 0.00 C ATOM 1241 CG2 ILE A 81 -9.118 8.526 -10.116 1.00 0.00 C ATOM 1242 CD1 ILE A 81 -8.774 11.057 -8.032 1.00 0.00 C ATOM 0 H ILE A 81 -5.491 8.751 -8.763 1.00 0.00 H new ATOM 0 HA ILE A 81 -7.737 7.162 -7.839 1.00 0.00 H new ATOM 0 HB ILE A 81 -7.335 9.573 -9.590 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -9.606 9.125 -7.678 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -7.997 9.348 -7.019 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -9.658 9.430 -10.398 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -8.668 8.081 -11.003 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -9.810 7.815 -9.665 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -9.205 11.473 -7.121 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -7.795 11.503 -8.206 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -9.428 11.276 -8.876 1.00 0.00 H new ATOM 1254 N ALA A 82 -6.756 7.058 -11.011 1.00 0.00 N ATOM 1255 CA ALA A 82 -6.705 6.208 -12.194 1.00 0.00 C ATOM 1256 C ALA A 82 -6.502 4.746 -11.811 1.00 0.00 C ATOM 1257 O ALA A 82 -7.314 3.886 -12.152 1.00 0.00 O ATOM 1258 CB ALA A 82 -5.596 6.670 -13.127 1.00 0.00 C ATOM 0 H ALA A 82 -6.376 7.995 -11.148 1.00 0.00 H new ATOM 0 HA ALA A 82 -7.660 6.291 -12.713 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -5.569 6.027 -14.006 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -5.785 7.698 -13.435 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -4.639 6.617 -12.609 1.00 0.00 H new ATOM 1264 N VAL A 83 -5.413 4.470 -11.100 1.00 0.00 N ATOM 1265 CA VAL A 83 -5.103 3.112 -10.671 1.00 0.00 C ATOM 1266 C VAL A 83 -6.367 2.365 -10.258 1.00 0.00 C ATOM 1267 O VAL A 83 -6.711 1.336 -10.840 1.00 0.00 O ATOM 1268 CB VAL A 83 -4.110 3.108 -9.494 1.00 0.00 C ATOM 1269 CG1 VAL A 83 -4.508 4.145 -8.455 1.00 0.00 C ATOM 1270 CG2 VAL A 83 -4.028 1.722 -8.871 1.00 0.00 C ATOM 0 H VAL A 83 -4.730 5.170 -10.809 1.00 0.00 H new ATOM 0 HA VAL A 83 -4.647 2.607 -11.523 1.00 0.00 H new ATOM 0 HB VAL A 83 -3.123 3.370 -9.874 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -3.794 4.127 -7.631 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -4.511 5.135 -8.911 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -5.505 3.917 -8.077 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.322 1.737 -8.041 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -5.012 1.429 -8.505 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.691 1.006 -9.620 1.00 0.00 H new ATOM 1280 N VAL A 84 -7.055 2.890 -9.249 1.00 0.00 N ATOM 1281 CA VAL A 84 -8.282 2.274 -8.759 1.00 0.00 C ATOM 1282 C VAL A 84 -9.236 1.960 -9.906 1.00 0.00 C ATOM 1283 O VAL A 84 -9.993 0.991 -9.851 1.00 0.00 O ATOM 1284 CB VAL A 84 -9.000 3.184 -7.744 1.00 0.00 C ATOM 1285 CG1 VAL A 84 -7.989 3.976 -6.929 1.00 0.00 C ATOM 1286 CG2 VAL A 84 -9.970 4.115 -8.456 1.00 0.00 C ATOM 0 H VAL A 84 -6.783 3.740 -8.755 1.00 0.00 H new ATOM 0 HA VAL A 84 -7.994 1.346 -8.265 1.00 0.00 H new ATOM 0 HB VAL A 84 -9.571 2.556 -7.060 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -8.514 4.613 -6.217 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -7.338 3.288 -6.389 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -7.389 4.595 -7.596 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -10.468 4.750 -7.724 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -9.423 4.737 -9.164 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -10.714 3.525 -8.991 1.00 0.00 H new ATOM 1296 N LYS A 85 -9.194 2.785 -10.946 1.00 0.00 N ATOM 1297 CA LYS A 85 -10.053 2.596 -12.109 1.00 0.00 C ATOM 1298 C LYS A 85 -9.669 1.329 -12.868 1.00 0.00 C ATOM 1299 O LYS A 85 -10.524 0.653 -13.441 1.00 0.00 O ATOM 1300 CB LYS A 85 -9.961 3.808 -13.039 1.00 0.00 C ATOM 1301 CG LYS A 85 -10.128 5.137 -12.324 1.00 0.00 C ATOM 1302 CD LYS A 85 -10.146 6.299 -13.303 1.00 0.00 C ATOM 1303 CE LYS A 85 -11.395 6.276 -14.171 1.00 0.00 C ATOM 1304 NZ LYS A 85 -11.480 7.474 -15.052 1.00 0.00 N ATOM 0 H LYS A 85 -8.573 3.592 -11.008 1.00 0.00 H new ATOM 0 HA LYS A 85 -11.080 2.492 -11.759 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -8.995 3.795 -13.544 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -10.725 3.722 -13.811 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -11.055 5.129 -11.751 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -9.314 5.273 -11.612 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -10.100 7.240 -12.754 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -9.260 6.256 -13.937 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -11.395 5.374 -14.783 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -12.279 6.230 -13.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -12.345 7.421 -15.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -11.505 8.334 -14.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -10.649 7.505 -15.677 1.00 0.00 H new ATOM 1318 N LYS A 86 -8.379 1.012 -12.867 1.00 0.00 N ATOM 1319 CA LYS A 86 -7.881 -0.174 -13.552 1.00 0.00 C ATOM 1320 C LYS A 86 -8.300 -1.443 -12.817 1.00 0.00 C ATOM 1321 O LYS A 86 -8.615 -2.459 -13.439 1.00 0.00 O ATOM 1322 CB LYS A 86 -6.356 -0.120 -13.669 1.00 0.00 C ATOM 1323 CG LYS A 86 -5.857 0.949 -14.626 1.00 0.00 C ATOM 1324 CD LYS A 86 -5.501 2.232 -13.894 1.00 0.00 C ATOM 1325 CE LYS A 86 -5.775 3.457 -14.752 1.00 0.00 C ATOM 1326 NZ LYS A 86 -4.740 3.639 -15.807 1.00 0.00 N ATOM 0 H LYS A 86 -7.658 1.561 -12.398 1.00 0.00 H new ATOM 0 HA LYS A 86 -8.315 -0.193 -14.552 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -5.930 0.061 -12.682 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -5.991 -1.092 -14.001 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -4.982 0.580 -15.161 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -6.623 1.156 -15.373 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -6.077 2.297 -12.971 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -4.448 2.212 -13.613 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -6.756 3.362 -15.218 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -5.808 4.344 -14.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -4.963 4.485 -16.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -3.807 3.756 -15.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -4.726 2.804 -16.427 1.00 0.00 H new ATOM 1340 N LEU A 87 -8.303 -1.379 -11.490 1.00 0.00 N ATOM 1341 CA LEU A 87 -8.685 -2.523 -10.669 1.00 0.00 C ATOM 1342 C LEU A 87 -10.170 -2.833 -10.826 1.00 0.00 C ATOM 1343 O LEU A 87 -10.552 -3.973 -11.094 1.00 0.00 O ATOM 1344 CB LEU A 87 -8.361 -2.252 -9.199 1.00 0.00 C ATOM 1345 CG LEU A 87 -7.005 -1.603 -8.919 1.00 0.00 C ATOM 1346 CD1 LEU A 87 -6.943 -1.093 -7.488 1.00 0.00 C ATOM 1347 CD2 LEU A 87 -5.877 -2.588 -9.186 1.00 0.00 C ATOM 0 H LEU A 87 -8.045 -0.547 -10.959 1.00 0.00 H new ATOM 0 HA LEU A 87 -8.114 -3.388 -11.006 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -9.140 -1.610 -8.788 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -8.408 -3.197 -8.657 1.00 0.00 H new ATOM 0 HG LEU A 87 -6.885 -0.753 -9.591 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -5.971 -0.634 -7.307 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -7.728 -0.353 -7.331 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -7.086 -1.925 -6.799 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -4.920 -2.109 -8.981 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -5.993 -3.458 -8.539 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -5.909 -2.904 -10.229 1.00 0.00 H new ATOM 1359 N ASP A 88 -11.004 -1.812 -10.658 1.00 0.00 N ATOM 1360 CA ASP A 88 -12.447 -1.975 -10.784 1.00 0.00 C ATOM 1361 C ASP A 88 -12.992 -1.126 -11.929 1.00 0.00 C ATOM 1362 O ASP A 88 -13.274 0.062 -11.774 1.00 0.00 O ATOM 1363 CB ASP A 88 -13.141 -1.593 -9.475 1.00 0.00 C ATOM 1364 CG ASP A 88 -14.650 -1.698 -9.568 1.00 0.00 C ATOM 1365 OD1 ASP A 88 -15.148 -2.778 -9.950 1.00 0.00 O ATOM 1366 OD2 ASP A 88 -15.334 -0.700 -9.258 1.00 0.00 O ATOM 0 H ASP A 88 -10.705 -0.863 -10.434 1.00 0.00 H new ATOM 0 HA ASP A 88 -12.652 -3.023 -11.003 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -12.783 -2.241 -8.675 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -12.867 -0.573 -9.206 1.00 0.00 H new ATOM 1371 N PRO A 89 -13.143 -1.749 -13.107 1.00 0.00 N ATOM 1372 CA PRO A 89 -13.654 -1.070 -14.302 1.00 0.00 C ATOM 1373 C PRO A 89 -15.135 -0.725 -14.183 1.00 0.00 C ATOM 1374 O PRO A 89 -15.731 -0.181 -15.111 1.00 0.00 O ATOM 1375 CB PRO A 89 -13.431 -2.096 -15.416 1.00 0.00 C ATOM 1376 CG PRO A 89 -13.425 -3.414 -14.721 1.00 0.00 C ATOM 1377 CD PRO A 89 -12.826 -3.164 -13.364 1.00 0.00 C ATOM 0 HA PRO A 89 -13.153 -0.117 -14.476 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -14.222 -2.046 -16.164 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -12.489 -1.918 -15.936 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -14.435 -3.814 -14.634 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -12.839 -4.146 -15.277 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -13.260 -3.817 -12.607 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -11.751 -3.342 -13.360 1.00 0.00 H new ATOM 1385 N GLY A 90 -15.723 -1.046 -13.034 1.00 0.00 N ATOM 1386 CA GLY A 90 -17.129 -0.762 -12.816 1.00 0.00 C ATOM 1387 C GLY A 90 -17.346 0.351 -11.810 1.00 0.00 C ATOM 1388 O GLY A 90 -18.416 0.453 -11.210 1.00 0.00 O ATOM 0 H GLY A 90 -15.250 -1.497 -12.251 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -17.592 -0.487 -13.764 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -17.629 -1.665 -12.467 1.00 0.00 H new ATOM 1392 N TRP A 91 -16.330 1.185 -11.624 1.00 0.00 N ATOM 1393 CA TRP A 91 -16.414 2.295 -10.681 1.00 0.00 C ATOM 1394 C TRP A 91 -16.968 3.543 -11.359 1.00 0.00 C ATOM 1395 O TRP A 91 -16.530 3.916 -12.447 1.00 0.00 O ATOM 1396 CB TRP A 91 -15.037 2.591 -10.085 1.00 0.00 C ATOM 1397 CG TRP A 91 -15.043 3.735 -9.117 1.00 0.00 C ATOM 1398 CD1 TRP A 91 -16.009 4.025 -8.197 1.00 0.00 C ATOM 1399 CD2 TRP A 91 -14.035 4.742 -8.975 1.00 0.00 C ATOM 1400 NE1 TRP A 91 -15.663 5.153 -7.491 1.00 0.00 N ATOM 1401 CE2 TRP A 91 -14.456 5.611 -7.949 1.00 0.00 C ATOM 1402 CE3 TRP A 91 -12.818 4.994 -9.613 1.00 0.00 C ATOM 1403 CZ2 TRP A 91 -13.702 6.711 -7.550 1.00 0.00 C ATOM 1404 CZ3 TRP A 91 -12.071 6.086 -9.216 1.00 0.00 C ATOM 1405 CH2 TRP A 91 -12.514 6.934 -8.192 1.00 0.00 C ATOM 0 H TRP A 91 -15.438 1.114 -12.113 1.00 0.00 H new ATOM 0 HA TRP A 91 -17.094 2.008 -9.879 1.00 0.00 H new ATOM 0 HB2 TRP A 91 -14.668 1.698 -9.580 1.00 0.00 H new ATOM 0 HB3 TRP A 91 -14.339 2.811 -10.893 1.00 0.00 H new ATOM 0 HD1 TRP A 91 -16.912 3.453 -8.046 1.00 0.00 H new ATOM 0 HE1 TRP A 91 -16.215 5.579 -6.747 1.00 0.00 H new ATOM 0 HE3 TRP A 91 -12.467 4.346 -10.403 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 -14.043 7.366 -6.761 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 -11.129 6.290 -9.703 1.00 0.00 H new ATOM 0 HH2 TRP A 91 -11.907 7.779 -7.904 1.00 0.00 H new ATOM 1416 N ASN A 92 -17.932 4.186 -10.709 1.00 0.00 N ATOM 1417 CA ASN A 92 -18.546 5.394 -11.251 1.00 0.00 C ATOM 1418 C ASN A 92 -18.663 6.472 -10.178 1.00 0.00 C ATOM 1419 O ASN A 92 -19.697 6.625 -9.527 1.00 0.00 O ATOM 1420 CB ASN A 92 -19.928 5.076 -11.823 1.00 0.00 C ATOM 1421 CG ASN A 92 -20.879 4.535 -10.773 1.00 0.00 C ATOM 1422 OD1 ASN A 92 -20.661 3.458 -10.218 1.00 0.00 O ATOM 1423 ND2 ASN A 92 -21.941 5.282 -10.496 1.00 0.00 N ATOM 0 H ASN A 92 -18.305 3.892 -9.807 1.00 0.00 H new ATOM 0 HA ASN A 92 -17.907 5.769 -12.051 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -20.352 5.979 -12.263 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -19.826 4.347 -12.627 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -22.616 4.970 -9.798 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -22.082 6.168 -10.981 1.00 0.00 H new ATOM 1430 N PRO A 93 -17.579 7.239 -9.988 1.00 0.00 N ATOM 1431 CA PRO A 93 -17.535 8.317 -8.996 1.00 0.00 C ATOM 1432 C PRO A 93 -18.422 9.496 -9.382 1.00 0.00 C ATOM 1433 O PRO A 93 -19.180 10.008 -8.559 1.00 0.00 O ATOM 1434 CB PRO A 93 -16.063 8.735 -8.991 1.00 0.00 C ATOM 1435 CG PRO A 93 -15.555 8.352 -10.339 1.00 0.00 C ATOM 1436 CD PRO A 93 -16.312 7.112 -10.729 1.00 0.00 C ATOM 0 HA PRO A 93 -17.903 7.991 -8.023 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -15.956 9.806 -8.817 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -15.510 8.227 -8.201 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -15.719 9.153 -11.060 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -14.482 8.162 -10.312 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -16.479 7.065 -11.805 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -15.772 6.207 -10.450 1.00 0.00 H new ATOM 1444 N GLN A 94 -18.322 9.920 -10.638 1.00 0.00 N ATOM 1445 CA GLN A 94 -19.116 11.039 -11.131 1.00 0.00 C ATOM 1446 C GLN A 94 -19.720 10.718 -12.495 1.00 0.00 C ATOM 1447 O GLN A 94 -19.284 11.249 -13.517 1.00 0.00 O ATOM 1448 CB GLN A 94 -18.256 12.300 -11.225 1.00 0.00 C ATOM 1449 CG GLN A 94 -18.990 13.495 -11.812 1.00 0.00 C ATOM 1450 CD GLN A 94 -18.364 14.817 -11.414 1.00 0.00 C ATOM 1451 OE1 GLN A 94 -18.336 15.175 -10.236 1.00 0.00 O ATOM 1452 NE2 GLN A 94 -17.856 15.552 -12.397 1.00 0.00 N ATOM 0 H GLN A 94 -17.700 9.506 -11.332 1.00 0.00 H new ATOM 0 HA GLN A 94 -19.928 11.214 -10.426 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -17.896 12.559 -10.229 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -17.379 12.087 -11.836 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -18.998 13.414 -12.899 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -20.029 13.476 -11.483 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -17.901 15.217 -13.359 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -17.421 16.451 -12.189 1.00 0.00 H new ATOM 1461 N ILE A 95 -20.724 9.848 -12.502 1.00 0.00 N ATOM 1462 CA ILE A 95 -21.388 9.458 -13.740 1.00 0.00 C ATOM 1463 C ILE A 95 -22.904 9.492 -13.585 1.00 0.00 C ATOM 1464 O ILE A 95 -23.479 8.832 -12.719 1.00 0.00 O ATOM 1465 CB ILE A 95 -20.960 8.048 -14.188 1.00 0.00 C ATOM 1466 CG1 ILE A 95 -19.453 8.009 -14.454 1.00 0.00 C ATOM 1467 CG2 ILE A 95 -21.733 7.629 -15.429 1.00 0.00 C ATOM 1468 CD1 ILE A 95 -18.616 8.090 -13.197 1.00 0.00 C ATOM 0 H ILE A 95 -21.096 9.400 -11.665 1.00 0.00 H new ATOM 0 HA ILE A 95 -21.087 10.179 -14.500 1.00 0.00 H new ATOM 0 HB ILE A 95 -21.187 7.344 -13.387 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -19.209 7.088 -14.984 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -19.187 8.836 -15.112 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -21.419 6.630 -15.733 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -22.800 7.622 -15.208 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -21.534 8.334 -16.237 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -17.559 8.057 -13.461 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -18.831 9.023 -12.676 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -18.854 7.248 -12.547 1.00 0.00 H new ATOM 1480 N PRO A 96 -23.570 10.277 -14.445 1.00 0.00 N ATOM 1481 CA PRO A 96 -25.029 10.414 -14.425 1.00 0.00 C ATOM 1482 C PRO A 96 -25.737 9.144 -14.885 1.00 0.00 C ATOM 1483 O PRO A 96 -26.856 8.859 -14.462 1.00 0.00 O ATOM 1484 CB PRO A 96 -25.291 11.558 -15.407 1.00 0.00 C ATOM 1485 CG PRO A 96 -24.121 11.541 -16.330 1.00 0.00 C ATOM 1486 CD PRO A 96 -22.949 11.091 -15.503 1.00 0.00 C ATOM 0 HA PRO A 96 -25.407 10.602 -13.420 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -26.225 11.408 -15.949 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -25.373 12.514 -14.889 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -24.293 10.862 -17.166 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -23.943 12.530 -16.753 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -22.240 10.510 -16.093 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -22.401 11.937 -15.089 1.00 0.00 H new ATOM 1494 N GLU A 97 -25.075 8.385 -15.753 1.00 0.00 N ATOM 1495 CA GLU A 97 -25.643 7.145 -16.270 1.00 0.00 C ATOM 1496 C GLU A 97 -25.897 6.150 -15.141 1.00 0.00 C ATOM 1497 O GLU A 97 -25.214 6.168 -14.117 1.00 0.00 O ATOM 1498 CB GLU A 97 -24.707 6.524 -17.310 1.00 0.00 C ATOM 1499 CG GLU A 97 -25.407 5.577 -18.270 1.00 0.00 C ATOM 1500 CD GLU A 97 -26.277 6.303 -19.277 1.00 0.00 C ATOM 1501 OE1 GLU A 97 -25.827 7.340 -19.809 1.00 0.00 O ATOM 1502 OE2 GLU A 97 -27.406 5.836 -19.532 1.00 0.00 O ATOM 0 H GLU A 97 -24.146 8.606 -16.112 1.00 0.00 H new ATOM 0 HA GLU A 97 -26.596 7.382 -16.744 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -24.232 7.322 -17.881 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -23.912 5.984 -16.795 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -24.660 4.986 -18.800 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -26.021 4.879 -17.702 1.00 0.00 H new ATOM 1509 N LYS A 98 -26.885 5.284 -15.335 1.00 0.00 N ATOM 1510 CA LYS A 98 -27.231 4.280 -14.335 1.00 0.00 C ATOM 1511 C LYS A 98 -26.560 2.947 -14.648 1.00 0.00 C ATOM 1512 O LYS A 98 -27.114 2.114 -15.366 1.00 0.00 O ATOM 1513 CB LYS A 98 -28.749 4.097 -14.271 1.00 0.00 C ATOM 1514 CG LYS A 98 -29.246 3.609 -12.922 1.00 0.00 C ATOM 1515 CD LYS A 98 -30.662 3.065 -13.012 1.00 0.00 C ATOM 1516 CE LYS A 98 -31.693 4.182 -12.959 1.00 0.00 C ATOM 1517 NZ LYS A 98 -32.942 3.819 -13.684 1.00 0.00 N ATOM 0 H LYS A 98 -27.461 5.257 -16.176 1.00 0.00 H new ATOM 0 HA LYS A 98 -26.872 4.628 -13.367 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -29.231 5.046 -14.505 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -29.054 3.387 -15.040 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -28.580 2.832 -12.547 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -29.215 4.428 -12.204 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -30.779 2.504 -13.939 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -30.838 2.367 -12.193 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -31.929 4.409 -11.919 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -31.270 5.087 -13.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -33.619 4.606 -13.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -32.721 3.627 -14.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -33.360 2.970 -13.253 1.00 0.00 H new ATOM 1531 N LYS A 99 -25.364 2.749 -14.104 1.00 0.00 N ATOM 1532 CA LYS A 99 -24.618 1.516 -14.321 1.00 0.00 C ATOM 1533 C LYS A 99 -23.340 1.498 -13.488 1.00 0.00 C ATOM 1534 O LYS A 99 -22.608 2.485 -13.437 1.00 0.00 O ATOM 1535 CB LYS A 99 -24.274 1.358 -15.805 1.00 0.00 C ATOM 1536 CG LYS A 99 -23.516 2.541 -16.382 1.00 0.00 C ATOM 1537 CD LYS A 99 -22.648 2.126 -17.558 1.00 0.00 C ATOM 1538 CE LYS A 99 -21.438 3.036 -17.705 1.00 0.00 C ATOM 1539 NZ LYS A 99 -21.787 4.321 -18.372 1.00 0.00 N ATOM 0 H LYS A 99 -24.890 3.428 -13.509 1.00 0.00 H new ATOM 0 HA LYS A 99 -25.246 0.682 -14.008 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -23.677 0.455 -15.937 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -25.195 1.217 -16.370 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -24.223 3.306 -16.702 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -22.892 2.988 -15.608 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -22.316 1.097 -17.422 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -23.238 2.152 -18.474 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -21.016 3.241 -16.721 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -20.667 2.525 -18.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -20.921 4.774 -18.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -22.431 4.136 -19.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -22.253 4.951 -17.689 1.00 0.00 H new ATOM 1553 N GLY A 100 -23.079 0.369 -12.837 1.00 0.00 N ATOM 1554 CA GLY A 100 -21.888 0.244 -12.017 1.00 0.00 C ATOM 1555 C GLY A 100 -22.212 -0.055 -10.567 1.00 0.00 C ATOM 1556 O GLY A 100 -22.536 -1.190 -10.216 1.00 0.00 O ATOM 0 H GLY A 100 -23.671 -0.461 -12.863 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -21.257 -0.550 -12.416 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -21.312 1.168 -12.075 1.00 0.00 H new ATOM 1560 N LYS A 101 -22.124 0.965 -9.720 1.00 0.00 N ATOM 1561 CA LYS A 101 -22.410 0.806 -8.299 1.00 0.00 C ATOM 1562 C LYS A 101 -22.885 2.122 -7.690 1.00 0.00 C ATOM 1563 O LYS A 101 -22.257 3.163 -7.873 1.00 0.00 O ATOM 1564 CB LYS A 101 -21.165 0.310 -7.559 1.00 0.00 C ATOM 1565 CG LYS A 101 -20.040 1.329 -7.510 1.00 0.00 C ATOM 1566 CD LYS A 101 -20.151 2.224 -6.287 1.00 0.00 C ATOM 1567 CE LYS A 101 -19.505 1.585 -5.068 1.00 0.00 C ATOM 1568 NZ LYS A 101 -19.608 2.456 -3.864 1.00 0.00 N ATOM 0 H LYS A 101 -21.857 1.911 -9.993 1.00 0.00 H new ATOM 0 HA LYS A 101 -23.205 0.068 -8.194 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -21.442 0.038 -6.540 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -20.802 -0.597 -8.043 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -19.080 0.812 -7.498 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -20.062 1.940 -8.412 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -19.674 3.183 -6.492 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -21.201 2.428 -6.078 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -19.983 0.627 -4.865 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -18.455 1.380 -5.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -19.156 1.985 -3.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -19.130 3.361 -4.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -20.610 2.631 -3.647 1.00 0.00 H new ATOM 1582 N GLU A 102 -23.998 2.065 -6.964 1.00 0.00 N ATOM 1583 CA GLU A 102 -24.556 3.253 -6.328 1.00 0.00 C ATOM 1584 C GLU A 102 -25.675 2.877 -5.361 1.00 0.00 C ATOM 1585 O GLU A 102 -26.329 1.847 -5.522 1.00 0.00 O ATOM 1586 CB GLU A 102 -25.085 4.224 -7.386 1.00 0.00 C ATOM 1587 CG GLU A 102 -25.548 5.553 -6.814 1.00 0.00 C ATOM 1588 CD GLU A 102 -24.399 6.506 -6.550 1.00 0.00 C ATOM 1589 OE1 GLU A 102 -23.564 6.694 -7.459 1.00 0.00 O ATOM 1590 OE2 GLU A 102 -24.335 7.064 -5.435 1.00 0.00 O ATOM 0 H GLU A 102 -24.530 1.210 -6.802 1.00 0.00 H new ATOM 0 HA GLU A 102 -23.761 3.740 -5.764 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -24.303 4.408 -8.122 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -25.916 3.756 -7.914 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -26.249 6.018 -7.507 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -26.089 5.376 -5.884 1.00 0.00 H new ATOM 1597 N ALA A 103 -25.889 3.720 -4.357 1.00 0.00 N ATOM 1598 CA ALA A 103 -26.929 3.478 -3.364 1.00 0.00 C ATOM 1599 C ALA A 103 -28.317 3.670 -3.966 1.00 0.00 C ATOM 1600 O ALA A 103 -28.554 4.617 -4.716 1.00 0.00 O ATOM 1601 CB ALA A 103 -26.740 4.397 -2.167 1.00 0.00 C ATOM 0 H ALA A 103 -25.356 4.577 -4.209 1.00 0.00 H new ATOM 0 HA ALA A 103 -26.845 2.444 -3.031 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -27.523 4.205 -1.434 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -25.766 4.210 -1.715 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -26.795 5.436 -2.493 1.00 0.00 H new ATOM 1607 N SER A 104 -29.231 2.763 -3.635 1.00 0.00 N ATOM 1608 CA SER A 104 -30.595 2.830 -4.146 1.00 0.00 C ATOM 1609 C SER A 104 -31.394 3.910 -3.424 1.00 0.00 C ATOM 1610 O SER A 104 -31.376 3.995 -2.196 1.00 0.00 O ATOM 1611 CB SER A 104 -31.288 1.476 -3.989 1.00 0.00 C ATOM 1612 OG SER A 104 -31.644 1.238 -2.638 1.00 0.00 O ATOM 0 H SER A 104 -29.051 1.973 -3.015 1.00 0.00 H new ATOM 0 HA SER A 104 -30.547 3.085 -5.205 1.00 0.00 H new ATOM 0 HB2 SER A 104 -32.181 1.446 -4.614 1.00 0.00 H new ATOM 0 HB3 SER A 104 -30.627 0.683 -4.339 1.00 0.00 H new ATOM 0 HG SER A 104 -31.599 2.078 -2.135 1.00 0.00 H new ATOM 1618 N GLY A 105 -32.095 4.735 -4.195 1.00 0.00 N ATOM 1619 CA GLY A 105 -32.891 5.799 -3.612 1.00 0.00 C ATOM 1620 C GLY A 105 -34.028 6.234 -4.516 1.00 0.00 C ATOM 1621 O GLY A 105 -33.833 6.965 -5.488 1.00 0.00 O ATOM 0 H GLY A 105 -32.126 4.686 -5.213 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -33.297 5.464 -2.658 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -32.250 6.655 -3.402 1.00 0.00 H new ATOM 1625 N PRO A 106 -35.249 5.779 -4.198 1.00 0.00 N ATOM 1626 CA PRO A 106 -36.446 6.113 -4.976 1.00 0.00 C ATOM 1627 C PRO A 106 -36.845 7.577 -4.827 1.00 0.00 C ATOM 1628 O PRO A 106 -37.858 8.012 -5.375 1.00 0.00 O ATOM 1629 CB PRO A 106 -37.522 5.201 -4.380 1.00 0.00 C ATOM 1630 CG PRO A 106 -37.058 4.926 -2.992 1.00 0.00 C ATOM 1631 CD PRO A 106 -35.556 4.905 -3.053 1.00 0.00 C ATOM 0 HA PRO A 106 -36.291 5.969 -6.045 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -38.498 5.686 -4.382 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -37.623 4.280 -4.954 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -37.410 5.695 -2.304 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -37.447 3.974 -2.632 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -35.111 5.279 -2.131 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -35.174 3.895 -3.204 1.00 0.00 H new ATOM 1639 N SER A 107 -36.043 8.331 -4.083 1.00 0.00 N ATOM 1640 CA SER A 107 -36.316 9.746 -3.860 1.00 0.00 C ATOM 1641 C SER A 107 -36.929 10.384 -5.102 1.00 0.00 C ATOM 1642 O SER A 107 -36.476 10.149 -6.222 1.00 0.00 O ATOM 1643 CB SER A 107 -35.029 10.481 -3.478 1.00 0.00 C ATOM 1644 OG SER A 107 -35.253 11.875 -3.360 1.00 0.00 O ATOM 0 H SER A 107 -35.199 7.986 -3.625 1.00 0.00 H new ATOM 0 HA SER A 107 -37.030 9.828 -3.041 1.00 0.00 H new ATOM 0 HB2 SER A 107 -34.650 10.089 -2.534 1.00 0.00 H new ATOM 0 HB3 SER A 107 -34.263 10.295 -4.231 1.00 0.00 H new ATOM 0 HG SER A 107 -34.416 12.321 -3.114 1.00 0.00 H new ATOM 1650 N SER A 108 -37.963 11.194 -4.895 1.00 0.00 N ATOM 1651 CA SER A 108 -38.642 11.863 -5.998 1.00 0.00 C ATOM 1652 C SER A 108 -39.187 13.219 -5.557 1.00 0.00 C ATOM 1653 O SER A 108 -39.189 13.544 -4.371 1.00 0.00 O ATOM 1654 CB SER A 108 -39.782 10.991 -6.528 1.00 0.00 C ATOM 1655 OG SER A 108 -40.651 10.596 -5.481 1.00 0.00 O ATOM 0 H SER A 108 -38.348 11.402 -3.974 1.00 0.00 H new ATOM 0 HA SER A 108 -37.916 12.023 -6.795 1.00 0.00 H new ATOM 0 HB2 SER A 108 -40.344 11.541 -7.283 1.00 0.00 H new ATOM 0 HB3 SER A 108 -39.371 10.108 -7.017 1.00 0.00 H new ATOM 0 HG SER A 108 -41.372 10.041 -5.846 1.00 0.00 H new ATOM 1661 N GLY A 109 -39.648 14.007 -6.524 1.00 0.00 N ATOM 1662 CA GLY A 109 -40.189 15.318 -6.217 1.00 0.00 C ATOM 1663 C GLY A 109 -40.043 16.290 -7.372 1.00 0.00 C ATOM 1664 O GLY A 109 -38.945 16.767 -7.655 1.00 0.00 O ATOM 0 H GLY A 109 -39.656 13.761 -7.514 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -41.243 15.221 -5.959 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -39.682 15.721 -5.340 1.00 0.00 H new TER 1668 GLY A 109