USER MOD reduce.3.24.130724 H: found=0, std=0, add=754, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 753 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 155 LYS NZ :NH3+ -127:sc= -1.7 (180deg=-5.57!) USER MOD Set 1.2: A 169 SER OG : rot 180:sc= -0.918 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 HIS : no HE2:sc= 0.438 K(o=0.44,f=-1.9!) USER MOD Single : A 97 THR OG1 : rot -77:sc= 1.29 USER MOD Single : A 100 LYS NZ :NH3+ -105:sc= -0.356 (180deg=-2.09!) USER MOD Single : A 102 TYR OH : rot 63:sc= 1.17 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 THR OG1 : rot 180:sc= -1.08 USER MOD Single : A 113 ASN : amide:sc= -0.316 K(o=-0.32,f=-2) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 THR OG1 : rot 180:sc= 0.00311 USER MOD Single : A 125 ASN : amide:sc=-0.00178 X(o=-0.0018,f=-0.0018) USER MOD Single : A 134 SER OG : rot 180:sc= 0 USER MOD Single : A 144 THR OG1 : rot 180:sc= 0 USER MOD Single : A 146 HIS : no HD1:sc= -2.59! X(o=-2.6!,f=-2.3) USER MOD Single : A 150 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 161 GLN : amide:sc= -2.75 K(o=-2.7,f=-6.7!) USER MOD Single : A 162 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 164 ASN : amide:sc= -0.492 X(o=-0.49,f=-0.44) USER MOD Single : A 165 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 176 SER OG : rot -130:sc= -0.0169 USER MOD Single : A 178 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 179 SER OG : rot 39:sc= 0.264 USER MOD ----------------------------------------------------------------- ATOM 16 N LYS A 88 -0.162 -5.337 -2.073 1.00 40.53 N ATOM 17 CA LYS A 88 0.374 -6.369 -2.953 1.00 63.05 C ATOM 18 C LYS A 88 0.373 -5.901 -4.404 1.00 52.21 C ATOM 19 O LYS A 88 1.263 -6.250 -5.179 1.00 53.22 O ATOM 20 CB LYS A 88 -0.445 -7.656 -2.820 1.00 43.40 C ATOM 21 CG LYS A 88 0.276 -8.891 -3.331 1.00 73.43 C ATOM 22 CD LYS A 88 1.169 -9.498 -2.262 1.00 72.30 C ATOM 23 CE LYS A 88 0.412 -10.500 -1.406 1.00 5.41 C ATOM 24 NZ LYS A 88 1.222 -10.963 -0.245 1.00 62.21 N1+ ATOM 0 HA LYS A 88 1.403 -6.568 -2.655 1.00 63.05 H new ATOM 0 HB2 LYS A 88 -0.705 -7.805 -1.772 1.00 43.40 H new ATOM 0 HB3 LYS A 88 -1.381 -7.539 -3.367 1.00 43.40 H new ATOM 0 HG2 LYS A 88 -0.455 -9.630 -3.659 1.00 73.43 H new ATOM 0 HG3 LYS A 88 0.877 -8.628 -4.202 1.00 73.43 H new ATOM 0 HD2 LYS A 88 2.020 -9.990 -2.734 1.00 72.30 H new ATOM 0 HD3 LYS A 88 1.570 -8.706 -1.629 1.00 72.30 H new ATOM 0 HE2 LYS A 88 -0.511 -10.046 -1.046 1.00 5.41 H new ATOM 0 HE3 LYS A 88 0.129 -11.358 -2.016 1.00 5.41 H new ATOM 0 HZ1 LYS A 88 0.670 -11.645 0.313 1.00 62.21 H new ATOM 0 HZ2 LYS A 88 2.091 -11.419 -0.588 1.00 62.21 H new ATOM 0 HZ3 LYS A 88 1.471 -10.148 0.351 1.00 62.21 H new ATOM 38 N ALA A 89 -0.632 -5.110 -4.766 1.00 2.12 N ATOM 39 CA ALA A 89 -0.745 -4.592 -6.124 1.00 32.13 C ATOM 40 C ALA A 89 0.380 -3.610 -6.432 1.00 63.45 C ATOM 41 O ALA A 89 0.872 -3.548 -7.559 1.00 5.31 O ATOM 42 CB ALA A 89 -2.100 -3.927 -6.323 1.00 44.04 C ATOM 0 H ALA A 89 -1.379 -4.814 -4.138 1.00 2.12 H new ATOM 0 HA ALA A 89 -0.659 -5.430 -6.816 1.00 32.13 H new ATOM 0 HB1 ALA A 89 -2.172 -3.544 -7.341 1.00 44.04 H new ATOM 0 HB2 ALA A 89 -2.892 -4.657 -6.153 1.00 44.04 H new ATOM 0 HB3 ALA A 89 -2.208 -3.103 -5.617 1.00 44.04 H new ATOM 48 N LYS A 90 0.781 -2.841 -5.425 1.00 51.00 N ATOM 49 CA LYS A 90 1.848 -1.862 -5.588 1.00 61.25 C ATOM 50 C LYS A 90 3.139 -2.533 -6.043 1.00 14.35 C ATOM 51 O LYS A 90 3.973 -1.914 -6.703 1.00 71.13 O ATOM 52 CB LYS A 90 2.086 -1.113 -4.275 1.00 41.44 C ATOM 53 CG LYS A 90 1.171 0.084 -4.083 1.00 65.43 C ATOM 54 CD LYS A 90 -0.216 -0.340 -3.627 1.00 32.40 C ATOM 55 CE LYS A 90 -0.923 0.778 -2.877 1.00 73.34 C ATOM 56 NZ LYS A 90 -0.517 0.828 -1.445 1.00 11.23 N1+ ATOM 0 H LYS A 90 0.382 -2.877 -4.487 1.00 51.00 H new ATOM 0 HA LYS A 90 1.540 -1.151 -6.355 1.00 61.25 H new ATOM 0 HB2 LYS A 90 1.947 -1.803 -3.443 1.00 41.44 H new ATOM 0 HB3 LYS A 90 3.122 -0.777 -4.241 1.00 41.44 H new ATOM 0 HG2 LYS A 90 1.606 0.761 -3.347 1.00 65.43 H new ATOM 0 HG3 LYS A 90 1.094 0.638 -5.019 1.00 65.43 H new ATOM 0 HD2 LYS A 90 -0.811 -0.632 -4.492 1.00 32.40 H new ATOM 0 HD3 LYS A 90 -0.136 -1.217 -2.984 1.00 32.40 H new ATOM 0 HE2 LYS A 90 -0.698 1.733 -3.352 1.00 73.34 H new ATOM 0 HE3 LYS A 90 -2.001 0.635 -2.944 1.00 73.34 H new ATOM 0 HZ1 LYS A 90 -1.021 1.603 -0.968 1.00 11.23 H new ATOM 0 HZ2 LYS A 90 -0.755 -0.074 -0.985 1.00 11.23 H new ATOM 0 HZ3 LYS A 90 0.508 0.990 -1.380 1.00 11.23 H new ATOM 70 N ARG A 91 3.297 -3.804 -5.687 1.00 52.32 N ATOM 71 CA ARG A 91 4.487 -4.560 -6.059 1.00 73.43 C ATOM 72 C ARG A 91 4.628 -4.638 -7.576 1.00 12.01 C ATOM 73 O ARG A 91 5.733 -4.779 -8.101 1.00 55.01 O ATOM 74 CB ARG A 91 4.427 -5.970 -5.468 1.00 55.15 C ATOM 75 CG ARG A 91 5.793 -6.552 -5.143 1.00 43.31 C ATOM 76 CD ARG A 91 6.303 -6.058 -3.799 1.00 24.02 C ATOM 77 NE ARG A 91 5.441 -6.476 -2.697 1.00 52.32 N ATOM 78 CZ ARG A 91 5.639 -6.120 -1.433 1.00 52.22 C ATOM 79 NH1 ARG A 91 6.665 -5.343 -1.113 1.00 64.04 N1+ ATOM 80 NH2 ARG A 91 4.809 -6.540 -0.487 1.00 70.21 N ATOM 0 H ARG A 91 2.616 -4.332 -5.141 1.00 52.32 H new ATOM 0 HA ARG A 91 5.357 -4.042 -5.656 1.00 73.43 H new ATOM 0 HB2 ARG A 91 3.825 -5.949 -4.560 1.00 55.15 H new ATOM 0 HB3 ARG A 91 3.919 -6.629 -6.172 1.00 55.15 H new ATOM 0 HG2 ARG A 91 5.733 -7.640 -5.133 1.00 43.31 H new ATOM 0 HG3 ARG A 91 6.502 -6.279 -5.925 1.00 43.31 H new ATOM 0 HD2 ARG A 91 7.312 -6.436 -3.633 1.00 24.02 H new ATOM 0 HD3 ARG A 91 6.369 -4.970 -3.814 1.00 24.02 H new ATOM 0 HE ARG A 91 4.643 -7.074 -2.910 1.00 52.32 H new ATOM 0 HH11 ARG A 91 7.304 -5.018 -1.838 1.00 64.04 H new ATOM 0 HH12 ARG A 91 6.815 -5.071 -0.142 1.00 64.04 H new ATOM 0 HH21 ARG A 91 4.018 -7.137 -0.730 1.00 70.21 H new ATOM 0 HH22 ARG A 91 4.962 -6.266 0.484 1.00 70.21 H new ATOM 94 N HIS A 92 3.502 -4.547 -8.276 1.00 20.10 N ATOM 95 CA HIS A 92 3.500 -4.608 -9.734 1.00 61.12 C ATOM 96 C HIS A 92 4.490 -3.606 -10.321 1.00 44.23 C ATOM 97 O HIS A 92 5.052 -3.831 -11.391 1.00 34.04 O ATOM 98 CB HIS A 92 2.097 -4.332 -10.275 1.00 61.10 C ATOM 99 CG HIS A 92 1.850 -4.925 -11.629 1.00 44.40 C ATOM 100 ND1 HIS A 92 2.697 -4.733 -12.700 1.00 73.45 N ATOM 101 CD2 HIS A 92 0.845 -5.709 -12.081 1.00 35.45 C ATOM 102 CE1 HIS A 92 2.222 -5.373 -13.753 1.00 42.11 C ATOM 103 NE2 HIS A 92 1.099 -5.974 -13.404 1.00 11.35 N ATOM 0 H HIS A 92 2.579 -4.431 -7.858 1.00 20.10 H new ATOM 0 HA HIS A 92 3.805 -5.611 -10.031 1.00 61.12 H new ATOM 0 HB2 HIS A 92 1.362 -4.728 -9.574 1.00 61.10 H new ATOM 0 HB3 HIS A 92 1.941 -3.254 -10.325 1.00 61.10 H new ATOM 0 HD1 HIS A 92 3.556 -4.183 -12.682 1.00 73.45 H new ATOM 0 HD2 HIS A 92 -0.000 -6.061 -11.508 1.00 35.45 H new ATOM 0 HE1 HIS A 92 2.675 -5.400 -14.733 1.00 42.11 H new ATOM 111 N GLU A 93 4.697 -2.501 -9.611 1.00 62.03 N ATOM 112 CA GLU A 93 5.618 -1.465 -10.064 1.00 22.40 C ATOM 113 C GLU A 93 7.062 -1.847 -9.752 1.00 33.12 C ATOM 114 O GLU A 93 7.976 -1.530 -10.511 1.00 63.31 O ATOM 115 CB GLU A 93 5.278 -0.127 -9.404 1.00 71.43 C ATOM 116 CG GLU A 93 6.312 0.957 -9.660 1.00 15.43 C ATOM 117 CD GLU A 93 5.915 2.295 -9.067 1.00 43.51 C ATOM 118 OE1 GLU A 93 4.745 2.437 -8.654 1.00 60.32 O1- ATOM 119 OE2 GLU A 93 6.773 3.200 -9.016 1.00 11.33 O ATOM 0 H GLU A 93 4.240 -2.301 -8.721 1.00 62.03 H new ATOM 0 HA GLU A 93 5.512 -1.366 -11.144 1.00 22.40 H new ATOM 0 HB2 GLU A 93 4.309 0.213 -9.769 1.00 71.43 H new ATOM 0 HB3 GLU A 93 5.179 -0.276 -8.329 1.00 71.43 H new ATOM 0 HG2 GLU A 93 7.269 0.647 -9.240 1.00 15.43 H new ATOM 0 HG3 GLU A 93 6.457 1.069 -10.735 1.00 15.43 H new ATOM 126 N ALA A 94 7.257 -2.529 -8.628 1.00 71.42 N ATOM 127 CA ALA A 94 8.589 -2.956 -8.215 1.00 50.12 C ATOM 128 C ALA A 94 9.091 -4.104 -9.084 1.00 2.41 C ATOM 129 O ALA A 94 10.284 -4.411 -9.094 1.00 44.00 O ATOM 130 CB ALA A 94 8.582 -3.365 -6.750 1.00 70.33 C ATOM 0 H ALA A 94 6.510 -2.798 -7.987 1.00 71.42 H new ATOM 0 HA ALA A 94 9.269 -2.114 -8.342 1.00 50.12 H new ATOM 0 HB1 ALA A 94 9.583 -3.681 -6.456 1.00 70.33 H new ATOM 0 HB2 ALA A 94 8.274 -2.518 -6.137 1.00 70.33 H new ATOM 0 HB3 ALA A 94 7.884 -4.190 -6.606 1.00 70.33 H new ATOM 136 N TRP A 95 8.175 -4.734 -9.810 1.00 33.54 N ATOM 137 CA TRP A 95 8.526 -5.849 -10.683 1.00 2.43 C ATOM 138 C TRP A 95 9.570 -5.428 -11.711 1.00 64.44 C ATOM 139 O TRP A 95 10.295 -6.265 -12.251 1.00 61.23 O ATOM 140 CB TRP A 95 7.280 -6.382 -11.391 1.00 2.15 C ATOM 141 CG TRP A 95 6.348 -7.119 -10.479 1.00 41.24 C ATOM 142 CD1 TRP A 95 6.527 -7.364 -9.147 1.00 14.00 C ATOM 143 CD2 TRP A 95 5.092 -7.711 -10.832 1.00 42.31 C ATOM 144 NE1 TRP A 95 5.459 -8.071 -8.652 1.00 71.33 N ATOM 145 CE2 TRP A 95 4.565 -8.296 -9.664 1.00 74.32 C ATOM 146 CE3 TRP A 95 4.363 -7.801 -12.020 1.00 42.51 C ATOM 147 CZ2 TRP A 95 3.342 -8.962 -9.654 1.00 53.54 C ATOM 148 CZ3 TRP A 95 3.149 -8.464 -12.008 1.00 13.11 C ATOM 149 CH2 TRP A 95 2.649 -9.036 -10.831 1.00 33.31 C ATOM 0 H TRP A 95 7.184 -4.492 -9.812 1.00 33.54 H new ATOM 0 HA TRP A 95 8.950 -6.641 -10.066 1.00 2.43 H new ATOM 0 HB2 TRP A 95 6.746 -5.549 -11.848 1.00 2.15 H new ATOM 0 HB3 TRP A 95 7.586 -7.046 -12.199 1.00 2.15 H new ATOM 0 HD1 TRP A 95 7.383 -7.048 -8.568 1.00 14.00 H new ATOM 0 HE1 TRP A 95 5.349 -8.379 -7.686 1.00 71.33 H new ATOM 0 HE3 TRP A 95 4.740 -7.361 -12.931 1.00 42.51 H new ATOM 0 HZ2 TRP A 95 2.954 -9.405 -8.748 1.00 53.54 H new ATOM 0 HZ3 TRP A 95 2.577 -8.542 -12.921 1.00 13.11 H new ATOM 0 HH2 TRP A 95 1.697 -9.546 -10.853 1.00 33.31 H new ATOM 160 N ILE A 96 9.643 -4.129 -11.977 1.00 55.12 N ATOM 161 CA ILE A 96 10.600 -3.599 -12.940 1.00 34.21 C ATOM 162 C ILE A 96 12.023 -4.016 -12.587 1.00 70.15 C ATOM 163 O ILE A 96 12.894 -4.093 -13.455 1.00 2.25 O ATOM 164 CB ILE A 96 10.531 -2.062 -13.014 1.00 32.45 C ATOM 165 CG1 ILE A 96 9.124 -1.611 -13.412 1.00 12.32 C ATOM 166 CG2 ILE A 96 11.561 -1.533 -14.001 1.00 51.44 C ATOM 167 CD1 ILE A 96 8.720 -2.049 -14.802 1.00 41.21 C ATOM 0 H ILE A 96 9.051 -3.423 -11.539 1.00 55.12 H new ATOM 0 HA ILE A 96 10.333 -4.014 -13.912 1.00 34.21 H new ATOM 0 HB ILE A 96 10.757 -1.655 -12.028 1.00 32.45 H new ATOM 0 HG12 ILE A 96 8.407 -2.007 -12.692 1.00 12.32 H new ATOM 0 HG13 ILE A 96 9.069 -0.524 -13.352 1.00 12.32 H new ATOM 0 HG21 ILE A 96 11.500 -0.445 -14.042 1.00 51.44 H new ATOM 0 HG22 ILE A 96 12.559 -1.829 -13.678 1.00 51.44 H new ATOM 0 HG23 ILE A 96 11.362 -1.945 -14.990 1.00 51.44 H new ATOM 0 HD11 ILE A 96 7.712 -1.694 -15.017 1.00 41.21 H new ATOM 0 HD12 ILE A 96 9.414 -1.632 -15.531 1.00 41.21 H new ATOM 0 HD13 ILE A 96 8.742 -3.137 -14.861 1.00 41.21 H new ATOM 179 N THR A 97 12.255 -4.289 -11.306 1.00 51.42 N ATOM 180 CA THR A 97 13.572 -4.699 -10.838 1.00 31.44 C ATOM 181 C THR A 97 13.764 -6.204 -10.989 1.00 41.10 C ATOM 182 O THR A 97 14.892 -6.691 -11.074 1.00 50.20 O ATOM 183 CB THR A 97 13.792 -4.310 -9.364 1.00 14.40 C ATOM 184 OG1 THR A 97 12.775 -4.900 -8.545 1.00 50.05 O ATOM 185 CG2 THR A 97 13.771 -2.798 -9.196 1.00 60.33 C ATOM 0 H THR A 97 11.546 -4.233 -10.574 1.00 51.42 H new ATOM 0 HA THR A 97 14.303 -4.178 -11.456 1.00 31.44 H new ATOM 0 HB THR A 97 14.769 -4.681 -9.054 1.00 14.40 H new ATOM 0 HG1 THR A 97 11.944 -4.389 -8.637 1.00 50.05 H new ATOM 0 HG21 THR A 97 13.928 -2.546 -8.147 1.00 60.33 H new ATOM 0 HG22 THR A 97 14.563 -2.354 -9.799 1.00 60.33 H new ATOM 0 HG23 THR A 97 12.806 -2.409 -9.522 1.00 60.33 H new ATOM 193 N LEU A 98 12.657 -6.937 -11.019 1.00 70.21 N ATOM 194 CA LEU A 98 12.703 -8.388 -11.160 1.00 75.55 C ATOM 195 C LEU A 98 13.216 -8.785 -12.540 1.00 22.22 C ATOM 196 O LEU A 98 14.112 -9.621 -12.663 1.00 13.11 O ATOM 197 CB LEU A 98 11.315 -8.988 -10.928 1.00 74.34 C ATOM 198 CG LEU A 98 10.649 -8.642 -9.595 1.00 35.43 C ATOM 199 CD1 LEU A 98 9.222 -9.167 -9.560 1.00 20.42 C ATOM 200 CD2 LEU A 98 11.455 -9.205 -8.434 1.00 61.11 C ATOM 0 H LEU A 98 11.716 -6.550 -10.948 1.00 70.21 H new ATOM 0 HA LEU A 98 13.391 -8.779 -10.410 1.00 75.55 H new ATOM 0 HB2 LEU A 98 10.660 -8.660 -11.735 1.00 74.34 H new ATOM 0 HB3 LEU A 98 11.393 -10.073 -11.002 1.00 74.34 H new ATOM 0 HG LEU A 98 10.618 -7.557 -9.497 1.00 35.43 H new ATOM 0 HD11 LEU A 98 8.764 -8.912 -8.605 1.00 20.42 H new ATOM 0 HD12 LEU A 98 8.648 -8.716 -10.370 1.00 20.42 H new ATOM 0 HD13 LEU A 98 9.230 -10.250 -9.681 1.00 20.42 H new ATOM 0 HD21 LEU A 98 10.966 -8.949 -7.494 1.00 61.11 H new ATOM 0 HD22 LEU A 98 11.518 -10.289 -8.527 1.00 61.11 H new ATOM 0 HD23 LEU A 98 12.459 -8.781 -8.448 1.00 61.11 H new ATOM 212 N GLU A 99 12.645 -8.179 -13.576 1.00 4.44 N ATOM 213 CA GLU A 99 13.046 -8.469 -14.947 1.00 1.33 C ATOM 214 C GLU A 99 14.558 -8.341 -15.110 1.00 35.40 C ATOM 215 O GLU A 99 15.199 -9.177 -15.748 1.00 24.30 O ATOM 216 CB GLU A 99 12.336 -7.526 -15.920 1.00 15.35 C ATOM 217 CG GLU A 99 12.441 -6.060 -15.535 1.00 32.50 C ATOM 218 CD GLU A 99 11.682 -5.151 -16.483 1.00 23.42 C ATOM 219 OE1 GLU A 99 10.878 -5.671 -17.285 1.00 23.50 O1- ATOM 220 OE2 GLU A 99 11.891 -3.923 -16.422 1.00 0.21 O ATOM 0 H GLU A 99 11.903 -7.484 -13.492 1.00 4.44 H new ATOM 0 HA GLU A 99 12.759 -9.496 -15.173 1.00 1.33 H new ATOM 0 HB2 GLU A 99 12.757 -7.662 -16.916 1.00 15.35 H new ATOM 0 HB3 GLU A 99 11.283 -7.803 -15.978 1.00 15.35 H new ATOM 0 HG2 GLU A 99 12.057 -5.926 -14.524 1.00 32.50 H new ATOM 0 HG3 GLU A 99 13.491 -5.767 -15.519 1.00 32.50 H new ATOM 227 N LYS A 100 15.122 -7.287 -14.530 1.00 11.05 N ATOM 228 CA LYS A 100 16.559 -7.047 -14.609 1.00 40.42 C ATOM 229 C LYS A 100 17.311 -7.912 -13.603 1.00 54.22 C ATOM 230 O LYS A 100 18.490 -8.208 -13.785 1.00 73.30 O ATOM 231 CB LYS A 100 16.864 -5.568 -14.356 1.00 73.52 C ATOM 232 CG LYS A 100 16.493 -5.102 -12.958 1.00 14.42 C ATOM 233 CD LYS A 100 16.786 -3.623 -12.769 1.00 74.54 C ATOM 234 CE LYS A 100 18.249 -3.382 -12.429 1.00 0.53 C ATOM 235 NZ LYS A 100 19.100 -3.332 -13.650 1.00 11.21 N1+ ATOM 0 H LYS A 100 14.606 -6.585 -14.000 1.00 11.05 H new ATOM 0 HA LYS A 100 16.893 -7.314 -15.612 1.00 40.42 H new ATOM 0 HB2 LYS A 100 17.927 -5.392 -14.519 1.00 73.52 H new ATOM 0 HB3 LYS A 100 16.325 -4.964 -15.086 1.00 73.52 H new ATOM 0 HG2 LYS A 100 15.434 -5.290 -12.779 1.00 14.42 H new ATOM 0 HG3 LYS A 100 17.049 -5.681 -12.221 1.00 14.42 H new ATOM 0 HD2 LYS A 100 16.529 -3.081 -13.679 1.00 74.54 H new ATOM 0 HD3 LYS A 100 16.156 -3.225 -11.973 1.00 74.54 H new ATOM 0 HE2 LYS A 100 18.345 -2.445 -11.881 1.00 0.53 H new ATOM 0 HE3 LYS A 100 18.604 -4.175 -11.771 1.00 0.53 H new ATOM 0 HZ1 LYS A 100 19.643 -4.215 -13.731 1.00 11.21 H new ATOM 0 HZ2 LYS A 100 18.497 -3.219 -14.489 1.00 11.21 H new ATOM 0 HZ3 LYS A 100 19.755 -2.527 -13.584 1.00 11.21 H new ATOM 249 N ALA A 101 16.619 -8.315 -12.542 1.00 55.34 N ATOM 250 CA ALA A 101 17.221 -9.149 -11.509 1.00 52.53 C ATOM 251 C ALA A 101 17.352 -10.594 -11.977 1.00 52.15 C ATOM 252 O ALA A 101 18.221 -11.332 -11.513 1.00 73.43 O ATOM 253 CB ALA A 101 16.400 -9.079 -10.230 1.00 21.20 C ATOM 0 H ALA A 101 15.641 -8.077 -12.376 1.00 55.34 H new ATOM 0 HA ALA A 101 18.222 -8.768 -11.307 1.00 52.53 H new ATOM 0 HB1 ALA A 101 16.861 -9.706 -9.467 1.00 21.20 H new ATOM 0 HB2 ALA A 101 16.362 -8.048 -9.878 1.00 21.20 H new ATOM 0 HB3 ALA A 101 15.388 -9.432 -10.428 1.00 21.20 H new ATOM 259 N TYR A 102 16.482 -10.993 -12.900 1.00 21.11 N ATOM 260 CA TYR A 102 16.500 -12.352 -13.429 1.00 31.20 C ATOM 261 C TYR A 102 17.869 -12.694 -14.006 1.00 54.12 C ATOM 262 O TYR A 102 18.249 -13.862 -14.078 1.00 14.45 O ATOM 263 CB TYR A 102 15.424 -12.516 -14.505 1.00 13.11 C ATOM 264 CG TYR A 102 15.503 -13.832 -15.244 1.00 64.12 C ATOM 265 CD1 TYR A 102 15.617 -15.033 -14.554 1.00 0.35 C ATOM 266 CD2 TYR A 102 15.466 -13.875 -16.632 1.00 62.33 C ATOM 267 CE1 TYR A 102 15.691 -16.238 -15.225 1.00 40.03 C ATOM 268 CE2 TYR A 102 15.536 -15.076 -17.312 1.00 42.33 C ATOM 269 CZ TYR A 102 15.649 -16.255 -16.603 1.00 31.20 C ATOM 270 OH TYR A 102 15.722 -17.452 -17.276 1.00 20.33 O ATOM 0 H TYR A 102 15.757 -10.395 -13.296 1.00 21.11 H new ATOM 0 HA TYR A 102 16.291 -13.038 -12.608 1.00 31.20 H new ATOM 0 HB2 TYR A 102 14.442 -12.428 -14.041 1.00 13.11 H new ATOM 0 HB3 TYR A 102 15.512 -11.700 -15.222 1.00 13.11 H new ATOM 0 HD1 TYR A 102 15.648 -15.024 -13.474 1.00 0.35 H new ATOM 0 HD2 TYR A 102 15.381 -12.954 -17.189 1.00 62.33 H new ATOM 0 HE1 TYR A 102 15.781 -17.162 -14.673 1.00 40.03 H new ATOM 0 HE2 TYR A 102 15.503 -15.092 -18.391 1.00 42.33 H new ATOM 0 HH TYR A 102 14.950 -18.007 -17.041 1.00 20.33 H new ATOM 280 N GLU A 103 18.605 -11.667 -14.417 1.00 1.02 N ATOM 281 CA GLU A 103 19.933 -11.858 -14.989 1.00 60.41 C ATOM 282 C GLU A 103 20.825 -12.653 -14.040 1.00 12.44 C ATOM 283 O GLU A 103 21.757 -13.333 -14.469 1.00 10.12 O ATOM 284 CB GLU A 103 20.578 -10.507 -15.301 1.00 65.01 C ATOM 285 CG GLU A 103 19.856 -9.722 -16.384 1.00 0.13 C ATOM 286 CD GLU A 103 20.619 -8.486 -16.816 1.00 52.23 C ATOM 287 OE1 GLU A 103 21.561 -8.089 -16.099 1.00 62.03 O ATOM 288 OE2 GLU A 103 20.274 -7.914 -17.873 1.00 20.11 O1- ATOM 0 H GLU A 103 18.304 -10.694 -14.365 1.00 1.02 H new ATOM 0 HA GLU A 103 19.823 -12.422 -15.915 1.00 60.41 H new ATOM 0 HB2 GLU A 103 20.608 -9.909 -14.390 1.00 65.01 H new ATOM 0 HB3 GLU A 103 21.611 -10.670 -15.610 1.00 65.01 H new ATOM 0 HG2 GLU A 103 19.696 -10.366 -17.249 1.00 0.13 H new ATOM 0 HG3 GLU A 103 18.872 -9.428 -16.019 1.00 0.13 H new ATOM 295 N ASP A 104 20.531 -12.561 -12.747 1.00 24.32 N ATOM 296 CA ASP A 104 21.305 -13.271 -11.735 1.00 22.21 C ATOM 297 C ASP A 104 20.681 -14.629 -11.428 1.00 53.01 C ATOM 298 O ASP A 104 21.353 -15.534 -10.933 1.00 74.24 O ATOM 299 CB ASP A 104 21.399 -12.439 -10.456 1.00 44.00 C ATOM 300 CG ASP A 104 22.204 -11.168 -10.650 1.00 42.43 C ATOM 301 OD1 ASP A 104 22.603 -10.888 -11.800 1.00 73.33 O ATOM 302 OD2 ASP A 104 22.433 -10.453 -9.652 1.00 63.21 O1- ATOM 0 H ASP A 104 19.763 -12.002 -12.375 1.00 24.32 H new ATOM 0 HA ASP A 104 22.309 -13.432 -12.128 1.00 22.21 H new ATOM 0 HB2 ASP A 104 20.395 -12.182 -10.119 1.00 44.00 H new ATOM 0 HB3 ASP A 104 21.856 -13.039 -9.669 1.00 44.00 H new ATOM 307 N ALA A 105 19.393 -14.764 -11.724 1.00 63.33 N ATOM 308 CA ALA A 105 18.679 -16.011 -11.480 1.00 75.23 C ATOM 309 C ALA A 105 18.622 -16.329 -9.990 1.00 40.43 C ATOM 310 O ALA A 105 18.858 -17.464 -9.579 1.00 42.15 O ATOM 311 CB ALA A 105 19.337 -17.153 -12.240 1.00 34.51 C ATOM 0 H ALA A 105 18.822 -14.025 -12.133 1.00 63.33 H new ATOM 0 HA ALA A 105 17.657 -15.891 -11.839 1.00 75.23 H new ATOM 0 HB1 ALA A 105 18.793 -18.078 -12.049 1.00 34.51 H new ATOM 0 HB2 ALA A 105 19.320 -16.937 -13.308 1.00 34.51 H new ATOM 0 HB3 ALA A 105 20.369 -17.264 -11.908 1.00 34.51 H new ATOM 317 N GLU A 106 18.308 -15.318 -9.185 1.00 74.03 N ATOM 318 CA GLU A 106 18.222 -15.491 -7.740 1.00 75.25 C ATOM 319 C GLU A 106 17.124 -16.487 -7.377 1.00 23.20 C ATOM 320 O GLU A 106 16.447 -17.031 -8.250 1.00 54.54 O ATOM 321 CB GLU A 106 17.954 -14.148 -7.058 1.00 21.20 C ATOM 322 CG GLU A 106 19.207 -13.320 -6.830 1.00 43.42 C ATOM 323 CD GLU A 106 19.903 -13.662 -5.527 1.00 0.21 C ATOM 324 OE1 GLU A 106 19.516 -14.665 -4.892 1.00 14.12 O1- ATOM 325 OE2 GLU A 106 20.835 -12.925 -5.142 1.00 44.33 O ATOM 0 H GLU A 106 18.109 -14.372 -9.509 1.00 74.03 H new ATOM 0 HA GLU A 106 19.176 -15.884 -7.389 1.00 75.25 H new ATOM 0 HB2 GLU A 106 17.255 -13.574 -7.667 1.00 21.20 H new ATOM 0 HB3 GLU A 106 17.468 -14.328 -6.099 1.00 21.20 H new ATOM 0 HG2 GLU A 106 19.898 -13.477 -7.659 1.00 43.42 H new ATOM 0 HG3 GLU A 106 18.944 -12.262 -6.830 1.00 43.42 H new ATOM 332 N THR A 107 16.952 -16.721 -6.079 1.00 4.24 N ATOM 333 CA THR A 107 15.939 -17.652 -5.598 1.00 44.41 C ATOM 334 C THR A 107 14.765 -16.909 -4.970 1.00 60.01 C ATOM 335 O THR A 107 14.762 -15.680 -4.897 1.00 43.33 O ATOM 336 CB THR A 107 16.523 -18.633 -4.564 1.00 43.42 C ATOM 337 OG1 THR A 107 17.206 -17.911 -3.534 1.00 2.32 O ATOM 338 CG2 THR A 107 17.483 -19.610 -5.227 1.00 72.55 C ATOM 0 H THR A 107 17.501 -16.278 -5.343 1.00 4.24 H new ATOM 0 HA THR A 107 15.589 -18.214 -6.464 1.00 44.41 H new ATOM 0 HB THR A 107 15.699 -19.197 -4.126 1.00 43.42 H new ATOM 0 HG1 THR A 107 17.573 -18.542 -2.880 1.00 2.32 H new ATOM 0 HG21 THR A 107 17.883 -20.293 -4.477 1.00 72.55 H new ATOM 0 HG22 THR A 107 16.953 -20.179 -5.990 1.00 72.55 H new ATOM 0 HG23 THR A 107 18.302 -19.059 -5.689 1.00 72.55 H new ATOM 346 N VAL A 108 13.768 -17.663 -4.518 1.00 20.54 N ATOM 347 CA VAL A 108 12.588 -17.077 -3.894 1.00 41.44 C ATOM 348 C VAL A 108 11.955 -18.042 -2.898 1.00 71.21 C ATOM 349 O VAL A 108 12.455 -19.147 -2.683 1.00 42.35 O ATOM 350 CB VAL A 108 11.536 -16.681 -4.947 1.00 65.54 C ATOM 351 CG1 VAL A 108 11.978 -15.436 -5.702 1.00 22.45 C ATOM 352 CG2 VAL A 108 11.280 -17.834 -5.905 1.00 1.14 C ATOM 0 H VAL A 108 13.754 -18.681 -4.572 1.00 20.54 H new ATOM 0 HA VAL A 108 12.920 -16.183 -3.367 1.00 41.44 H new ATOM 0 HB VAL A 108 10.602 -16.452 -4.434 1.00 65.54 H new ATOM 0 HG11 VAL A 108 11.222 -15.171 -6.442 1.00 22.45 H new ATOM 0 HG12 VAL A 108 12.104 -14.611 -5.001 1.00 22.45 H new ATOM 0 HG13 VAL A 108 12.925 -15.633 -6.205 1.00 22.45 H new ATOM 0 HG21 VAL A 108 10.534 -17.536 -6.642 1.00 1.14 H new ATOM 0 HG22 VAL A 108 12.207 -18.097 -6.413 1.00 1.14 H new ATOM 0 HG23 VAL A 108 10.915 -18.696 -5.347 1.00 1.14 H new ATOM 362 N THR A 109 10.852 -17.618 -2.289 1.00 0.35 N ATOM 363 CA THR A 109 10.152 -18.443 -1.315 1.00 72.43 C ATOM 364 C THR A 109 8.675 -18.071 -1.239 1.00 62.13 C ATOM 365 O THR A 109 8.327 -16.921 -0.975 1.00 25.51 O ATOM 366 CB THR A 109 10.775 -18.309 0.088 1.00 21.55 C ATOM 367 OG1 THR A 109 12.154 -18.693 0.050 1.00 40.31 O ATOM 368 CG2 THR A 109 10.031 -19.172 1.096 1.00 24.53 C ATOM 0 H THR A 109 10.425 -16.707 -2.454 1.00 0.35 H new ATOM 0 HA THR A 109 10.248 -19.476 -1.650 1.00 72.43 H new ATOM 0 HB THR A 109 10.696 -17.267 0.398 1.00 21.55 H new ATOM 0 HG1 THR A 109 12.543 -18.604 0.945 1.00 40.31 H new ATOM 0 HG21 THR A 109 10.489 -19.061 2.079 1.00 24.53 H new ATOM 0 HG22 THR A 109 8.988 -18.858 1.144 1.00 24.53 H new ATOM 0 HG23 THR A 109 10.082 -20.216 0.788 1.00 24.53 H new ATOM 376 N GLY A 110 7.809 -19.053 -1.473 1.00 43.33 N ATOM 377 CA GLY A 110 6.379 -18.807 -1.426 1.00 13.05 C ATOM 378 C GLY A 110 5.582 -20.074 -1.189 1.00 3.55 C ATOM 379 O GLY A 110 6.040 -21.174 -1.502 1.00 41.25 O ATOM 0 H GLY A 110 8.072 -20.013 -1.694 1.00 43.33 H new ATOM 0 HA2 GLY A 110 6.162 -18.091 -0.633 1.00 13.05 H new ATOM 0 HA3 GLY A 110 6.061 -18.351 -2.363 1.00 13.05 H new ATOM 383 N VAL A 111 4.385 -19.923 -0.631 1.00 54.30 N ATOM 384 CA VAL A 111 3.521 -21.063 -0.351 1.00 20.01 C ATOM 385 C VAL A 111 2.372 -21.143 -1.350 1.00 45.43 C ATOM 386 O VAL A 111 1.769 -20.128 -1.698 1.00 13.55 O ATOM 387 CB VAL A 111 2.942 -20.993 1.075 1.00 12.42 C ATOM 388 CG1 VAL A 111 1.978 -19.824 1.202 1.00 14.12 C ATOM 389 CG2 VAL A 111 2.257 -22.302 1.437 1.00 40.44 C ATOM 0 H VAL A 111 3.991 -19.021 -0.364 1.00 54.30 H new ATOM 0 HA VAL A 111 4.139 -21.956 -0.441 1.00 20.01 H new ATOM 0 HB VAL A 111 3.763 -20.834 1.775 1.00 12.42 H new ATOM 0 HG11 VAL A 111 1.579 -19.790 2.216 1.00 14.12 H new ATOM 0 HG12 VAL A 111 2.504 -18.894 0.988 1.00 14.12 H new ATOM 0 HG13 VAL A 111 1.159 -19.949 0.494 1.00 14.12 H new ATOM 0 HG21 VAL A 111 1.854 -22.234 2.448 1.00 40.44 H new ATOM 0 HG22 VAL A 111 1.446 -22.494 0.735 1.00 40.44 H new ATOM 0 HG23 VAL A 111 2.980 -23.116 1.388 1.00 40.44 H new ATOM 399 N ILE A 112 2.078 -22.353 -1.810 1.00 15.31 N ATOM 400 CA ILE A 112 1.000 -22.564 -2.769 1.00 63.34 C ATOM 401 C ILE A 112 -0.331 -22.060 -2.220 1.00 32.02 C ATOM 402 O ILE A 112 -0.876 -22.622 -1.271 1.00 22.02 O ATOM 403 CB ILE A 112 0.859 -24.054 -3.138 1.00 73.40 C ATOM 404 CG1 ILE A 112 2.172 -24.584 -3.716 1.00 51.40 C ATOM 405 CG2 ILE A 112 -0.279 -24.248 -4.129 1.00 51.04 C ATOM 406 CD1 ILE A 112 3.012 -25.342 -2.711 1.00 44.52 C ATOM 0 H ILE A 112 2.570 -23.203 -1.535 1.00 15.31 H new ATOM 0 HA ILE A 112 1.259 -21.999 -3.664 1.00 63.34 H new ATOM 0 HB ILE A 112 0.628 -24.618 -2.234 1.00 73.40 H new ATOM 0 HG12 ILE A 112 1.951 -25.238 -4.559 1.00 51.40 H new ATOM 0 HG13 ILE A 112 2.752 -23.747 -4.105 1.00 51.40 H new ATOM 0 HG21 ILE A 112 -0.366 -25.305 -4.380 1.00 51.04 H new ATOM 0 HG22 ILE A 112 -1.212 -23.902 -3.684 1.00 51.04 H new ATOM 0 HG23 ILE A 112 -0.075 -23.676 -5.034 1.00 51.04 H new ATOM 0 HD11 ILE A 112 3.928 -25.689 -3.190 1.00 44.52 H new ATOM 0 HD12 ILE A 112 3.264 -24.685 -1.878 1.00 44.52 H new ATOM 0 HD13 ILE A 112 2.450 -26.199 -2.340 1.00 44.52 H new ATOM 418 N ASN A 113 -0.849 -20.997 -2.827 1.00 70.02 N ATOM 419 CA ASN A 113 -2.118 -20.417 -2.401 1.00 33.21 C ATOM 420 C ASN A 113 -3.273 -20.963 -3.235 1.00 62.31 C ATOM 421 O ASN A 113 -4.401 -21.072 -2.756 1.00 53.33 O ATOM 422 CB ASN A 113 -2.068 -18.892 -2.513 1.00 33.10 C ATOM 423 CG ASN A 113 -1.381 -18.246 -1.325 1.00 43.33 C ATOM 424 OD1 ASN A 113 -0.743 -18.925 -0.519 1.00 34.24 O ATOM 425 ND2 ASN A 113 -1.510 -16.930 -1.210 1.00 44.13 N ATOM 0 H ASN A 113 -0.410 -20.520 -3.615 1.00 70.02 H new ATOM 0 HA ASN A 113 -2.284 -20.693 -1.360 1.00 33.21 H new ATOM 0 HB2 ASN A 113 -1.543 -18.615 -3.427 1.00 33.10 H new ATOM 0 HB3 ASN A 113 -3.083 -18.503 -2.598 1.00 33.10 H new ATOM 0 HD21 ASN A 113 -1.071 -16.441 -0.430 1.00 44.13 H new ATOM 0 HD22 ASN A 113 -2.048 -16.408 -1.902 1.00 44.13 H new ATOM 432 N GLY A 114 -2.982 -21.303 -4.487 1.00 13.12 N ATOM 433 CA GLY A 114 -4.006 -21.833 -5.368 1.00 74.52 C ATOM 434 C GLY A 114 -3.538 -23.055 -6.132 1.00 51.31 C ATOM 435 O GLY A 114 -2.372 -23.147 -6.517 1.00 72.15 O ATOM 0 H GLY A 114 -2.056 -21.221 -4.907 1.00 13.12 H new ATOM 0 HA2 GLY A 114 -4.888 -22.091 -4.781 1.00 74.52 H new ATOM 0 HA3 GLY A 114 -4.308 -21.060 -6.075 1.00 74.52 H new ATOM 439 N LYS A 115 -4.448 -23.998 -6.352 1.00 74.23 N ATOM 440 CA LYS A 115 -4.123 -25.222 -7.076 1.00 34.25 C ATOM 441 C LYS A 115 -5.047 -25.407 -8.275 1.00 42.21 C ATOM 442 O LYS A 115 -6.256 -25.196 -8.179 1.00 24.11 O ATOM 443 CB LYS A 115 -4.230 -26.432 -6.145 1.00 22.32 C ATOM 444 CG LYS A 115 -5.569 -26.538 -5.436 1.00 35.33 C ATOM 445 CD LYS A 115 -5.566 -25.779 -4.120 1.00 22.31 C ATOM 446 CE LYS A 115 -6.613 -26.323 -3.160 1.00 75.20 C ATOM 447 NZ LYS A 115 -7.992 -25.938 -3.569 1.00 11.23 N1+ ATOM 0 H LYS A 115 -5.417 -23.938 -6.039 1.00 74.23 H new ATOM 0 HA LYS A 115 -3.099 -25.139 -7.439 1.00 34.25 H new ATOM 0 HB2 LYS A 115 -4.062 -27.341 -6.723 1.00 22.32 H new ATOM 0 HB3 LYS A 115 -3.437 -26.377 -5.399 1.00 22.32 H new ATOM 0 HG2 LYS A 115 -6.355 -26.146 -6.081 1.00 35.33 H new ATOM 0 HG3 LYS A 115 -5.802 -27.587 -5.251 1.00 35.33 H new ATOM 0 HD2 LYS A 115 -4.580 -25.848 -3.661 1.00 22.31 H new ATOM 0 HD3 LYS A 115 -5.757 -24.722 -4.308 1.00 22.31 H new ATOM 0 HE2 LYS A 115 -6.537 -27.409 -3.117 1.00 75.20 H new ATOM 0 HE3 LYS A 115 -6.414 -25.949 -2.156 1.00 75.20 H new ATOM 0 HZ1 LYS A 115 -8.677 -26.327 -2.890 1.00 11.23 H new ATOM 0 HZ2 LYS A 115 -8.072 -24.901 -3.586 1.00 11.23 H new ATOM 0 HZ3 LYS A 115 -8.191 -26.316 -4.517 1.00 11.23 H new ATOM 461 N VAL A 116 -4.469 -25.804 -9.405 1.00 23.14 N ATOM 462 CA VAL A 116 -5.242 -26.019 -10.623 1.00 34.23 C ATOM 463 C VAL A 116 -5.141 -27.468 -11.087 1.00 0.13 C ATOM 464 O VAL A 116 -4.422 -28.273 -10.496 1.00 22.41 O ATOM 465 CB VAL A 116 -4.768 -25.094 -11.758 1.00 11.42 C ATOM 466 CG1 VAL A 116 -5.106 -23.645 -11.443 1.00 22.33 C ATOM 467 CG2 VAL A 116 -3.274 -25.262 -11.995 1.00 71.40 C ATOM 0 H VAL A 116 -3.470 -25.983 -9.502 1.00 23.14 H new ATOM 0 HA VAL A 116 -6.280 -25.787 -10.386 1.00 34.23 H new ATOM 0 HB VAL A 116 -5.291 -25.374 -12.672 1.00 11.42 H new ATOM 0 HG11 VAL A 116 -4.763 -23.006 -12.257 1.00 22.33 H new ATOM 0 HG12 VAL A 116 -6.185 -23.540 -11.329 1.00 22.33 H new ATOM 0 HG13 VAL A 116 -4.613 -23.349 -10.517 1.00 22.33 H new ATOM 0 HG21 VAL A 116 -2.957 -24.600 -12.801 1.00 71.40 H new ATOM 0 HG22 VAL A 116 -2.731 -25.011 -11.084 1.00 71.40 H new ATOM 0 HG23 VAL A 116 -3.063 -26.295 -12.270 1.00 71.40 H new ATOM 477 N LYS A 117 -5.868 -27.794 -12.150 1.00 32.33 N ATOM 478 CA LYS A 117 -5.861 -29.146 -12.698 1.00 42.33 C ATOM 479 C LYS A 117 -4.490 -29.495 -13.270 1.00 14.34 C ATOM 480 O LYS A 117 -4.169 -29.133 -14.401 1.00 60.05 O ATOM 481 CB LYS A 117 -6.929 -29.284 -13.785 1.00 61.43 C ATOM 482 CG LYS A 117 -7.353 -30.719 -14.042 1.00 62.31 C ATOM 483 CD LYS A 117 -8.308 -31.220 -12.972 1.00 13.11 C ATOM 484 CE LYS A 117 -8.885 -32.580 -13.332 1.00 34.15 C ATOM 485 NZ LYS A 117 -9.831 -33.074 -12.293 1.00 72.03 N1+ ATOM 0 H LYS A 117 -6.470 -27.140 -12.650 1.00 32.33 H new ATOM 0 HA LYS A 117 -6.084 -29.840 -11.888 1.00 42.33 H new ATOM 0 HB2 LYS A 117 -7.804 -28.701 -13.499 1.00 61.43 H new ATOM 0 HB3 LYS A 117 -6.549 -28.855 -14.712 1.00 61.43 H new ATOM 0 HG2 LYS A 117 -7.832 -30.788 -15.019 1.00 62.31 H new ATOM 0 HG3 LYS A 117 -6.472 -31.360 -14.073 1.00 62.31 H new ATOM 0 HD2 LYS A 117 -7.785 -31.287 -12.018 1.00 13.11 H new ATOM 0 HD3 LYS A 117 -9.118 -30.503 -12.842 1.00 13.11 H new ATOM 0 HE2 LYS A 117 -9.400 -32.514 -14.290 1.00 34.15 H new ATOM 0 HE3 LYS A 117 -8.074 -33.298 -13.455 1.00 34.15 H new ATOM 0 HZ1 LYS A 117 -10.202 -34.003 -12.575 1.00 72.03 H new ATOM 0 HZ2 LYS A 117 -9.333 -33.162 -11.384 1.00 72.03 H new ATOM 0 HZ3 LYS A 117 -10.619 -32.402 -12.193 1.00 72.03 H new ATOM 499 N GLY A 118 -3.687 -30.199 -12.480 1.00 2.22 N ATOM 500 CA GLY A 118 -2.361 -30.586 -12.926 1.00 23.52 C ATOM 501 C GLY A 118 -1.300 -29.578 -12.531 1.00 73.33 C ATOM 502 O GLY A 118 -0.165 -29.947 -12.229 1.00 53.41 O ATOM 0 H GLY A 118 -3.930 -30.509 -11.539 1.00 2.22 H new ATOM 0 HA2 GLY A 118 -2.109 -31.559 -12.504 1.00 23.52 H new ATOM 0 HA3 GLY A 118 -2.364 -30.700 -14.010 1.00 23.52 H new ATOM 506 N GLY A 119 -1.668 -28.301 -12.535 1.00 73.01 N ATOM 507 CA GLY A 119 -0.727 -27.257 -12.174 1.00 40.10 C ATOM 508 C GLY A 119 -0.881 -26.810 -10.733 1.00 3.33 C ATOM 509 O GLY A 119 -1.804 -27.235 -10.040 1.00 23.40 O ATOM 0 H GLY A 119 -2.601 -27.971 -12.782 1.00 73.01 H new ATOM 0 HA2 GLY A 119 0.289 -27.618 -12.333 1.00 40.10 H new ATOM 0 HA3 GLY A 119 -0.868 -26.401 -12.834 1.00 40.10 H new ATOM 513 N PHE A 120 0.027 -25.951 -10.282 1.00 21.13 N ATOM 514 CA PHE A 120 -0.009 -25.449 -8.914 1.00 73.13 C ATOM 515 C PHE A 120 0.490 -24.008 -8.849 1.00 33.45 C ATOM 516 O PHE A 120 1.637 -23.719 -9.195 1.00 42.12 O ATOM 517 CB PHE A 120 0.839 -26.335 -7.999 1.00 45.15 C ATOM 518 CG PHE A 120 0.064 -27.450 -7.358 1.00 10.53 C ATOM 519 CD1 PHE A 120 -0.879 -27.182 -6.378 1.00 40.45 C ATOM 520 CD2 PHE A 120 0.276 -28.766 -7.734 1.00 41.15 C ATOM 521 CE1 PHE A 120 -1.595 -28.205 -5.787 1.00 33.12 C ATOM 522 CE2 PHE A 120 -0.436 -29.794 -7.146 1.00 24.30 C ATOM 523 CZ PHE A 120 -1.372 -29.513 -6.170 1.00 54.21 C ATOM 0 H PHE A 120 0.797 -25.588 -10.844 1.00 21.13 H new ATOM 0 HA PHE A 120 -1.044 -25.473 -8.574 1.00 73.13 H new ATOM 0 HB2 PHE A 120 1.660 -26.759 -8.577 1.00 45.15 H new ATOM 0 HB3 PHE A 120 1.284 -25.717 -7.219 1.00 45.15 H new ATOM 0 HD1 PHE A 120 -1.056 -26.161 -6.073 1.00 40.45 H new ATOM 0 HD2 PHE A 120 1.007 -28.992 -8.496 1.00 41.15 H new ATOM 0 HE1 PHE A 120 -2.328 -27.982 -5.026 1.00 33.12 H new ATOM 0 HE2 PHE A 120 -0.261 -30.816 -7.449 1.00 24.30 H new ATOM 0 HZ PHE A 120 -1.928 -30.315 -5.707 1.00 54.21 H new ATOM 533 N THR A 121 -0.380 -23.106 -8.406 1.00 3.13 N ATOM 534 CA THR A 121 -0.029 -21.695 -8.298 1.00 4.13 C ATOM 535 C THR A 121 0.642 -21.396 -6.962 1.00 21.42 C ATOM 536 O THR A 121 0.361 -22.046 -5.955 1.00 71.30 O ATOM 537 CB THR A 121 -1.270 -20.795 -8.447 1.00 11.34 C ATOM 538 OG1 THR A 121 -2.285 -21.481 -9.189 1.00 20.12 O ATOM 539 CG2 THR A 121 -0.913 -19.494 -9.151 1.00 43.11 C ATOM 0 H THR A 121 -1.333 -23.327 -8.116 1.00 3.13 H new ATOM 0 HA THR A 121 0.668 -21.480 -9.108 1.00 4.13 H new ATOM 0 HB THR A 121 -1.644 -20.560 -7.450 1.00 11.34 H new ATOM 0 HG1 THR A 121 -3.072 -20.903 -9.278 1.00 20.12 H new ATOM 0 HG21 THR A 121 -1.805 -18.875 -9.245 1.00 43.11 H new ATOM 0 HG22 THR A 121 -0.160 -18.961 -8.570 1.00 43.11 H new ATOM 0 HG23 THR A 121 -0.518 -19.714 -10.143 1.00 43.11 H new ATOM 547 N VAL A 122 1.532 -20.408 -6.960 1.00 12.32 N ATOM 548 CA VAL A 122 2.243 -20.022 -5.747 1.00 62.52 C ATOM 549 C VAL A 122 2.393 -18.507 -5.657 1.00 11.44 C ATOM 550 O VAL A 122 2.611 -17.835 -6.664 1.00 22.11 O ATOM 551 CB VAL A 122 3.638 -20.671 -5.684 1.00 61.21 C ATOM 552 CG1 VAL A 122 4.280 -20.425 -4.327 1.00 4.33 C ATOM 553 CG2 VAL A 122 3.548 -22.160 -5.979 1.00 4.41 C ATOM 0 H VAL A 122 1.778 -19.861 -7.785 1.00 12.32 H new ATOM 0 HA VAL A 122 1.648 -20.376 -4.905 1.00 62.52 H new ATOM 0 HB VAL A 122 4.268 -20.212 -6.446 1.00 61.21 H new ATOM 0 HG11 VAL A 122 5.265 -20.891 -4.301 1.00 4.33 H new ATOM 0 HG12 VAL A 122 4.381 -19.352 -4.161 1.00 4.33 H new ATOM 0 HG13 VAL A 122 3.654 -20.855 -3.545 1.00 4.33 H new ATOM 0 HG21 VAL A 122 4.543 -22.601 -5.930 1.00 4.41 H new ATOM 0 HG22 VAL A 122 2.902 -22.638 -5.243 1.00 4.41 H new ATOM 0 HG23 VAL A 122 3.134 -22.309 -6.976 1.00 4.41 H new ATOM 563 N GLU A 123 2.275 -17.978 -4.443 1.00 1.41 N ATOM 564 CA GLU A 123 2.398 -16.541 -4.223 1.00 24.31 C ATOM 565 C GLU A 123 3.790 -16.187 -3.709 1.00 24.33 C ATOM 566 O GLU A 123 4.082 -16.332 -2.521 1.00 63.43 O ATOM 567 CB GLU A 123 1.338 -16.064 -3.228 1.00 10.44 C ATOM 568 CG GLU A 123 1.193 -14.552 -3.172 1.00 13.44 C ATOM 569 CD GLU A 123 0.204 -14.099 -2.116 1.00 44.22 C ATOM 570 OE1 GLU A 123 0.458 -14.349 -0.919 1.00 5.32 O ATOM 571 OE2 GLU A 123 -0.825 -13.495 -2.487 1.00 14.32 O1- ATOM 0 H GLU A 123 2.095 -18.521 -3.599 1.00 1.41 H new ATOM 0 HA GLU A 123 2.244 -16.038 -5.177 1.00 24.31 H new ATOM 0 HB2 GLU A 123 0.377 -16.503 -3.495 1.00 10.44 H new ATOM 0 HB3 GLU A 123 1.592 -16.433 -2.234 1.00 10.44 H new ATOM 0 HG2 GLU A 123 2.166 -14.105 -2.969 1.00 13.44 H new ATOM 0 HG3 GLU A 123 0.871 -14.185 -4.147 1.00 13.44 H new ATOM 578 N LEU A 124 4.647 -15.723 -4.613 1.00 13.23 N ATOM 579 CA LEU A 124 6.010 -15.348 -4.253 1.00 3.34 C ATOM 580 C LEU A 124 6.146 -13.833 -4.138 1.00 14.51 C ATOM 581 O LEU A 124 6.464 -13.153 -5.113 1.00 51.32 O ATOM 582 CB LEU A 124 6.998 -15.884 -5.290 1.00 74.20 C ATOM 583 CG LEU A 124 7.081 -17.405 -5.415 1.00 25.45 C ATOM 584 CD1 LEU A 124 7.587 -17.800 -6.794 1.00 35.05 C ATOM 585 CD2 LEU A 124 7.979 -17.982 -4.330 1.00 14.43 C ATOM 0 H LEU A 124 4.422 -15.598 -5.600 1.00 13.23 H new ATOM 0 HA LEU A 124 6.238 -15.789 -3.282 1.00 3.34 H new ATOM 0 HB2 LEU A 124 6.730 -15.474 -6.264 1.00 74.20 H new ATOM 0 HB3 LEU A 124 7.991 -15.505 -5.047 1.00 74.20 H new ATOM 0 HG LEU A 124 6.080 -17.816 -5.286 1.00 25.45 H new ATOM 0 HD11 LEU A 124 7.640 -18.886 -6.865 1.00 35.05 H new ATOM 0 HD12 LEU A 124 6.905 -17.419 -7.555 1.00 35.05 H new ATOM 0 HD13 LEU A 124 8.579 -17.378 -6.952 1.00 35.05 H new ATOM 0 HD21 LEU A 124 8.026 -19.066 -4.435 1.00 14.43 H new ATOM 0 HD22 LEU A 124 8.981 -17.564 -4.427 1.00 14.43 H new ATOM 0 HD23 LEU A 124 7.574 -17.730 -3.350 1.00 14.43 H new ATOM 597 N ASN A 125 5.904 -13.311 -2.941 1.00 42.42 N ATOM 598 CA ASN A 125 6.001 -11.876 -2.698 1.00 23.03 C ATOM 599 C ASN A 125 5.178 -11.096 -3.718 1.00 71.21 C ATOM 600 O ASN A 125 5.593 -10.038 -4.189 1.00 12.11 O ATOM 601 CB ASN A 125 7.463 -11.426 -2.755 1.00 41.54 C ATOM 602 CG ASN A 125 8.401 -12.424 -2.103 1.00 2.20 C ATOM 603 OD1 ASN A 125 8.383 -12.605 -0.886 1.00 61.54 O ATOM 604 ND2 ASN A 125 9.227 -13.075 -2.913 1.00 75.40 N ATOM 0 H ASN A 125 5.639 -13.860 -2.123 1.00 42.42 H new ATOM 0 HA ASN A 125 5.603 -11.673 -1.704 1.00 23.03 H new ATOM 0 HB2 ASN A 125 7.756 -11.282 -3.795 1.00 41.54 H new ATOM 0 HB3 ASN A 125 7.563 -10.460 -2.259 1.00 41.54 H new ATOM 0 HD21 ASN A 125 9.882 -13.758 -2.532 1.00 75.40 H new ATOM 0 HD22 ASN A 125 9.207 -12.892 -3.916 1.00 75.40 H new ATOM 611 N GLY A 126 4.005 -11.625 -4.053 1.00 44.14 N ATOM 612 CA GLY A 126 3.140 -10.965 -5.014 1.00 71.51 C ATOM 613 C GLY A 126 3.171 -11.632 -6.375 1.00 14.11 C ATOM 614 O GLY A 126 2.202 -11.556 -7.132 1.00 40.40 O ATOM 0 H GLY A 126 3.638 -12.499 -3.676 1.00 44.14 H new ATOM 0 HA2 GLY A 126 2.117 -10.963 -4.637 1.00 71.51 H new ATOM 0 HA3 GLY A 126 3.444 -9.923 -5.116 1.00 71.51 H new ATOM 618 N ILE A 127 4.286 -12.283 -6.688 1.00 22.22 N ATOM 619 CA ILE A 127 4.439 -12.964 -7.967 1.00 73.32 C ATOM 620 C ILE A 127 3.625 -14.253 -8.005 1.00 14.32 C ATOM 621 O ILE A 127 3.408 -14.892 -6.975 1.00 64.31 O ATOM 622 CB ILE A 127 5.914 -13.294 -8.258 1.00 24.54 C ATOM 623 CG1 ILE A 127 6.790 -12.059 -8.029 1.00 35.23 C ATOM 624 CG2 ILE A 127 6.074 -13.806 -9.681 1.00 3.54 C ATOM 625 CD1 ILE A 127 6.488 -10.921 -8.978 1.00 1.33 C ATOM 0 H ILE A 127 5.097 -12.353 -6.073 1.00 22.22 H new ATOM 0 HA ILE A 127 4.071 -12.281 -8.732 1.00 73.32 H new ATOM 0 HB ILE A 127 6.236 -14.079 -7.573 1.00 24.54 H new ATOM 0 HG12 ILE A 127 6.655 -11.713 -7.004 1.00 35.23 H new ATOM 0 HG13 ILE A 127 7.837 -12.342 -8.135 1.00 35.23 H new ATOM 0 HG21 ILE A 127 7.123 -14.034 -9.870 1.00 3.54 H new ATOM 0 HG22 ILE A 127 5.477 -14.708 -9.812 1.00 3.54 H new ATOM 0 HG23 ILE A 127 5.737 -13.043 -10.382 1.00 3.54 H new ATOM 0 HD11 ILE A 127 7.145 -10.080 -8.758 1.00 1.33 H new ATOM 0 HD12 ILE A 127 6.650 -11.250 -10.004 1.00 1.33 H new ATOM 0 HD13 ILE A 127 5.450 -10.612 -8.856 1.00 1.33 H new ATOM 637 N ARG A 128 3.178 -14.631 -9.198 1.00 34.50 N ATOM 638 CA ARG A 128 2.389 -15.844 -9.369 1.00 4.34 C ATOM 639 C ARG A 128 3.182 -16.906 -10.125 1.00 60.24 C ATOM 640 O ARG A 128 3.470 -16.754 -11.311 1.00 55.21 O ATOM 641 CB ARG A 128 1.092 -15.533 -10.118 1.00 35.11 C ATOM 642 CG ARG A 128 -0.048 -16.480 -9.781 1.00 21.23 C ATOM 643 CD ARG A 128 -1.399 -15.867 -10.116 1.00 73.51 C ATOM 644 NE ARG A 128 -2.369 -16.875 -10.535 1.00 62.14 N ATOM 645 CZ ARG A 128 -3.684 -16.688 -10.504 1.00 54.34 C ATOM 646 NH1 ARG A 128 -4.183 -15.536 -10.078 1.00 63.40 N1+ ATOM 647 NH2 ARG A 128 -4.503 -17.653 -10.901 1.00 13.12 N ATOM 0 H ARG A 128 3.349 -14.114 -10.061 1.00 34.50 H new ATOM 0 HA ARG A 128 2.146 -16.231 -8.380 1.00 4.34 H new ATOM 0 HB2 ARG A 128 0.785 -14.513 -9.888 1.00 35.11 H new ATOM 0 HB3 ARG A 128 1.283 -15.575 -11.190 1.00 35.11 H new ATOM 0 HG2 ARG A 128 0.077 -17.412 -10.332 1.00 21.23 H new ATOM 0 HG3 ARG A 128 -0.013 -16.730 -8.721 1.00 21.23 H new ATOM 0 HD2 ARG A 128 -1.782 -15.336 -9.245 1.00 73.51 H new ATOM 0 HD3 ARG A 128 -1.276 -15.130 -10.910 1.00 73.51 H new ATOM 0 HE ARG A 128 -2.018 -17.772 -10.870 1.00 62.14 H new ATOM 0 HH11 ARG A 128 -3.557 -14.791 -9.773 1.00 63.40 H new ATOM 0 HH12 ARG A 128 -5.193 -15.395 -10.055 1.00 63.40 H new ATOM 0 HH21 ARG A 128 -4.123 -18.540 -11.231 1.00 13.12 H new ATOM 0 HH22 ARG A 128 -5.512 -17.508 -10.876 1.00 13.12 H new ATOM 661 N ALA A 129 3.533 -17.982 -9.428 1.00 23.11 N ATOM 662 CA ALA A 129 4.291 -19.070 -10.033 1.00 52.14 C ATOM 663 C ALA A 129 3.363 -20.154 -10.572 1.00 51.23 C ATOM 664 O ALA A 129 2.156 -20.125 -10.335 1.00 40.33 O ATOM 665 CB ALA A 129 5.264 -19.661 -9.023 1.00 63.52 C ATOM 0 H ALA A 129 3.304 -18.123 -8.444 1.00 23.11 H new ATOM 0 HA ALA A 129 4.856 -18.663 -10.871 1.00 52.14 H new ATOM 0 HB1 ALA A 129 5.823 -20.473 -9.488 1.00 63.52 H new ATOM 0 HB2 ALA A 129 5.956 -18.888 -8.689 1.00 63.52 H new ATOM 0 HB3 ALA A 129 4.710 -20.046 -8.167 1.00 63.52 H new ATOM 671 N PHE A 130 3.935 -21.109 -11.298 1.00 51.13 N ATOM 672 CA PHE A 130 3.158 -22.201 -11.873 1.00 11.43 C ATOM 673 C PHE A 130 3.967 -23.494 -11.889 1.00 70.34 C ATOM 674 O PHE A 130 4.904 -23.644 -12.675 1.00 70.32 O ATOM 675 CB PHE A 130 2.712 -21.847 -13.293 1.00 33.32 C ATOM 676 CG PHE A 130 1.408 -22.477 -13.687 1.00 74.44 C ATOM 677 CD1 PHE A 130 1.350 -23.813 -14.048 1.00 63.42 C ATOM 678 CD2 PHE A 130 0.238 -21.733 -13.697 1.00 15.20 C ATOM 679 CE1 PHE A 130 0.151 -24.397 -14.412 1.00 15.24 C ATOM 680 CE2 PHE A 130 -0.964 -22.312 -14.058 1.00 51.42 C ATOM 681 CZ PHE A 130 -1.007 -23.645 -14.417 1.00 35.35 C ATOM 0 H PHE A 130 4.934 -21.149 -11.502 1.00 51.13 H new ATOM 0 HA PHE A 130 2.276 -22.352 -11.251 1.00 11.43 H new ATOM 0 HB2 PHE A 130 2.623 -20.764 -13.378 1.00 33.32 H new ATOM 0 HB3 PHE A 130 3.484 -22.159 -13.996 1.00 33.32 H new ATOM 0 HD1 PHE A 130 2.253 -24.406 -14.045 1.00 63.42 H new ATOM 0 HD2 PHE A 130 0.266 -20.690 -13.420 1.00 15.20 H new ATOM 0 HE1 PHE A 130 0.120 -25.440 -14.692 1.00 15.24 H new ATOM 0 HE2 PHE A 130 -1.869 -21.723 -14.059 1.00 51.42 H new ATOM 0 HZ PHE A 130 -1.945 -24.098 -14.701 1.00 35.35 H new ATOM 691 N LEU A 131 3.599 -24.426 -11.017 1.00 42.32 N ATOM 692 CA LEU A 131 4.290 -25.707 -10.929 1.00 71.54 C ATOM 693 C LEU A 131 3.619 -26.751 -11.816 1.00 33.11 C ATOM 694 O LEU A 131 2.405 -26.955 -11.765 1.00 13.54 O ATOM 695 CB LEU A 131 4.319 -26.196 -9.480 1.00 3.45 C ATOM 696 CG LEU A 131 5.556 -25.811 -8.667 1.00 1.01 C ATOM 697 CD1 LEU A 131 5.520 -24.335 -8.306 1.00 72.14 C ATOM 698 CD2 LEU A 131 5.655 -26.666 -7.411 1.00 1.05 C ATOM 0 H LEU A 131 2.826 -24.318 -10.361 1.00 42.32 H new ATOM 0 HA LEU A 131 5.313 -25.563 -11.278 1.00 71.54 H new ATOM 0 HB2 LEU A 131 3.438 -25.808 -8.969 1.00 3.45 H new ATOM 0 HB3 LEU A 131 4.234 -27.283 -9.482 1.00 3.45 H new ATOM 0 HG LEU A 131 6.440 -25.993 -9.278 1.00 1.01 H new ATOM 0 HD11 LEU A 131 6.408 -24.080 -7.728 1.00 72.14 H new ATOM 0 HD12 LEU A 131 5.497 -23.738 -9.218 1.00 72.14 H new ATOM 0 HD13 LEU A 131 4.629 -24.127 -7.713 1.00 72.14 H new ATOM 0 HD21 LEU A 131 6.541 -26.379 -6.844 1.00 1.05 H new ATOM 0 HD22 LEU A 131 4.767 -26.515 -6.797 1.00 1.05 H new ATOM 0 HD23 LEU A 131 5.728 -27.717 -7.691 1.00 1.05 H new ATOM 710 N PRO A 132 4.424 -27.428 -12.648 1.00 44.13 N ATOM 711 CA PRO A 132 3.928 -28.464 -13.560 1.00 23.41 C ATOM 712 C PRO A 132 3.474 -29.718 -12.821 1.00 0.41 C ATOM 713 O PRO A 132 3.928 -29.996 -11.711 1.00 50.35 O ATOM 714 CB PRO A 132 5.143 -28.773 -14.439 1.00 2.04 C ATOM 715 CG PRO A 132 6.319 -28.402 -13.603 1.00 70.40 C ATOM 716 CD PRO A 132 5.879 -27.237 -12.761 1.00 11.23 C ATOM 0 HA PRO A 132 3.053 -28.131 -14.118 1.00 23.41 H new ATOM 0 HB2 PRO A 132 5.172 -29.826 -14.718 1.00 2.04 H new ATOM 0 HB3 PRO A 132 5.118 -28.198 -15.365 1.00 2.04 H new ATOM 0 HG2 PRO A 132 6.633 -29.238 -12.978 1.00 70.40 H new ATOM 0 HG3 PRO A 132 7.171 -28.133 -14.227 1.00 70.40 H new ATOM 0 HD2 PRO A 132 6.362 -27.242 -11.784 1.00 11.23 H new ATOM 0 HD3 PRO A 132 6.124 -26.285 -13.232 1.00 11.23 H new ATOM 724 N GLY A 133 2.573 -30.473 -13.444 1.00 51.13 N ATOM 725 CA GLY A 133 2.072 -31.689 -12.829 1.00 72.20 C ATOM 726 C GLY A 133 3.138 -32.759 -12.709 1.00 24.31 C ATOM 727 O GLY A 133 2.944 -33.764 -12.026 1.00 62.54 O ATOM 0 H GLY A 133 2.182 -30.264 -14.363 1.00 51.13 H new ATOM 0 HA2 GLY A 133 1.681 -31.457 -11.838 1.00 72.20 H new ATOM 0 HA3 GLY A 133 1.240 -32.074 -13.418 1.00 72.20 H new ATOM 731 N SER A 134 4.268 -32.544 -13.376 1.00 13.24 N ATOM 732 CA SER A 134 5.368 -33.501 -13.345 1.00 0.03 C ATOM 733 C SER A 134 6.175 -33.360 -12.058 1.00 14.21 C ATOM 734 O SER A 134 6.885 -34.281 -11.652 1.00 33.45 O ATOM 735 CB SER A 134 6.280 -33.303 -14.557 1.00 71.14 C ATOM 736 OG SER A 134 7.183 -32.231 -14.345 1.00 54.54 O ATOM 0 H SER A 134 4.446 -31.716 -13.944 1.00 13.24 H new ATOM 0 HA SER A 134 4.944 -34.505 -13.379 1.00 0.03 H new ATOM 0 HB2 SER A 134 6.837 -34.220 -14.750 1.00 71.14 H new ATOM 0 HB3 SER A 134 5.676 -33.104 -15.442 1.00 71.14 H new ATOM 0 HG SER A 134 7.756 -32.125 -15.133 1.00 54.54 H new ATOM 742 N LEU A 135 6.062 -32.200 -11.421 1.00 22.34 N ATOM 743 CA LEU A 135 6.781 -31.936 -10.179 1.00 71.02 C ATOM 744 C LEU A 135 5.810 -31.625 -9.043 1.00 43.52 C ATOM 745 O LEU A 135 6.069 -30.752 -8.214 1.00 62.30 O ATOM 746 CB LEU A 135 7.753 -30.770 -10.368 1.00 1.33 C ATOM 747 CG LEU A 135 8.770 -30.556 -9.246 1.00 35.31 C ATOM 748 CD1 LEU A 135 10.053 -31.319 -9.535 1.00 35.24 C ATOM 749 CD2 LEU A 135 9.059 -29.073 -9.064 1.00 24.21 C ATOM 0 H LEU A 135 5.480 -31.427 -11.744 1.00 22.34 H new ATOM 0 HA LEU A 135 7.344 -32.832 -9.916 1.00 71.02 H new ATOM 0 HB2 LEU A 135 8.297 -30.924 -11.300 1.00 1.33 H new ATOM 0 HB3 LEU A 135 7.173 -29.855 -10.485 1.00 1.33 H new ATOM 0 HG LEU A 135 8.345 -30.940 -8.319 1.00 35.31 H new ATOM 0 HD11 LEU A 135 10.764 -31.154 -8.726 1.00 35.24 H new ATOM 0 HD12 LEU A 135 9.833 -32.384 -9.614 1.00 35.24 H new ATOM 0 HD13 LEU A 135 10.483 -30.967 -10.473 1.00 35.24 H new ATOM 0 HD21 LEU A 135 9.785 -28.940 -8.262 1.00 24.21 H new ATOM 0 HD22 LEU A 135 9.463 -28.665 -9.990 1.00 24.21 H new ATOM 0 HD23 LEU A 135 8.137 -28.551 -8.809 1.00 24.21 H new ATOM 761 N VAL A 136 4.694 -32.346 -9.012 1.00 10.15 N ATOM 762 CA VAL A 136 3.686 -32.149 -7.977 1.00 65.54 C ATOM 763 C VAL A 136 4.251 -32.458 -6.594 1.00 40.25 C ATOM 764 O VAL A 136 4.320 -31.583 -5.731 1.00 34.33 O ATOM 765 CB VAL A 136 2.448 -33.031 -8.223 1.00 44.33 C ATOM 766 CG1 VAL A 136 1.435 -32.856 -7.103 1.00 72.44 C ATOM 767 CG2 VAL A 136 1.825 -32.709 -9.573 1.00 24.52 C ATOM 0 H VAL A 136 4.465 -33.072 -9.691 1.00 10.15 H new ATOM 0 HA VAL A 136 3.389 -31.101 -8.020 1.00 65.54 H new ATOM 0 HB VAL A 136 2.763 -34.074 -8.234 1.00 44.33 H new ATOM 0 HG11 VAL A 136 0.568 -33.487 -7.295 1.00 72.44 H new ATOM 0 HG12 VAL A 136 1.889 -33.142 -6.154 1.00 72.44 H new ATOM 0 HG13 VAL A 136 1.121 -31.813 -7.056 1.00 72.44 H new ATOM 0 HG21 VAL A 136 0.951 -33.341 -9.731 1.00 24.52 H new ATOM 0 HG22 VAL A 136 1.523 -31.662 -9.594 1.00 24.52 H new ATOM 0 HG23 VAL A 136 2.553 -32.893 -10.363 1.00 24.52 H new ATOM 777 N ASP A 137 4.653 -33.708 -6.393 1.00 63.00 N ATOM 778 CA ASP A 137 5.213 -34.133 -5.116 1.00 72.00 C ATOM 779 C ASP A 137 5.733 -35.566 -5.200 1.00 1.41 C ATOM 780 O ASP A 137 5.173 -36.399 -5.911 1.00 33.31 O ATOM 781 CB ASP A 137 4.162 -34.023 -4.011 1.00 42.44 C ATOM 782 CG ASP A 137 3.201 -35.197 -4.007 1.00 44.32 C ATOM 783 OD1 ASP A 137 2.512 -35.401 -5.028 1.00 53.44 O1- ATOM 784 OD2 ASP A 137 3.137 -35.909 -2.984 1.00 15.05 O ATOM 0 H ASP A 137 4.602 -34.444 -7.097 1.00 63.00 H new ATOM 0 HA ASP A 137 6.049 -33.475 -4.878 1.00 72.00 H new ATOM 0 HB2 ASP A 137 4.661 -33.962 -3.044 1.00 42.44 H new ATOM 0 HB3 ASP A 137 3.600 -33.098 -4.139 1.00 42.44 H new ATOM 789 N VAL A 138 6.809 -35.844 -4.470 1.00 53.41 N ATOM 790 CA VAL A 138 7.404 -37.175 -4.463 1.00 15.53 C ATOM 791 C VAL A 138 6.721 -38.076 -3.440 1.00 1.43 C ATOM 792 O VAL A 138 6.198 -37.602 -2.432 1.00 34.11 O ATOM 793 CB VAL A 138 8.911 -37.113 -4.151 1.00 13.01 C ATOM 794 CG1 VAL A 138 9.627 -36.219 -5.152 1.00 11.43 C ATOM 795 CG2 VAL A 138 9.142 -36.626 -2.728 1.00 50.50 C ATOM 0 H VAL A 138 7.286 -35.165 -3.876 1.00 53.41 H new ATOM 0 HA VAL A 138 7.263 -37.591 -5.461 1.00 15.53 H new ATOM 0 HB VAL A 138 9.323 -38.118 -4.237 1.00 13.01 H new ATOM 0 HG11 VAL A 138 10.691 -36.187 -4.916 1.00 11.43 H new ATOM 0 HG12 VAL A 138 9.490 -36.617 -6.158 1.00 11.43 H new ATOM 0 HG13 VAL A 138 9.214 -35.212 -5.101 1.00 11.43 H new ATOM 0 HG21 VAL A 138 10.212 -36.589 -2.525 1.00 50.50 H new ATOM 0 HG22 VAL A 138 8.715 -35.630 -2.611 1.00 50.50 H new ATOM 0 HG23 VAL A 138 8.664 -37.310 -2.027 1.00 50.50 H new ATOM 805 N ARG A 139 6.732 -39.377 -3.707 1.00 35.25 N ATOM 806 CA ARG A 139 6.113 -40.346 -2.811 1.00 31.31 C ATOM 807 C ARG A 139 4.664 -39.967 -2.516 1.00 33.22 C ATOM 808 O ARG A 139 4.327 -39.505 -1.425 1.00 64.02 O ATOM 809 CB ARG A 139 6.902 -40.441 -1.504 1.00 30.13 C ATOM 810 CG ARG A 139 6.765 -41.784 -0.805 1.00 20.12 C ATOM 811 CD ARG A 139 5.440 -41.894 -0.066 1.00 14.14 C ATOM 812 NE ARG A 139 5.315 -43.162 0.648 1.00 54.24 N ATOM 813 CZ ARG A 139 4.974 -44.305 0.063 1.00 72.02 C ATOM 814 NH1 ARG A 139 4.723 -44.338 -1.238 1.00 5.33 N1+ ATOM 815 NH2 ARG A 139 4.881 -45.417 0.780 1.00 4.43 N ATOM 0 H ARG A 139 7.163 -39.785 -4.537 1.00 35.25 H new ATOM 0 HA ARG A 139 6.123 -41.317 -3.305 1.00 31.31 H new ATOM 0 HB2 ARG A 139 7.956 -40.255 -1.711 1.00 30.13 H new ATOM 0 HB3 ARG A 139 6.566 -39.654 -0.829 1.00 30.13 H new ATOM 0 HG2 ARG A 139 6.842 -42.587 -1.538 1.00 20.12 H new ATOM 0 HG3 ARG A 139 7.587 -41.915 -0.102 1.00 20.12 H new ATOM 0 HD2 ARG A 139 5.350 -41.069 0.641 1.00 14.14 H new ATOM 0 HD3 ARG A 139 4.619 -41.796 -0.777 1.00 14.14 H new ATOM 0 HE ARG A 139 5.500 -43.170 1.651 1.00 54.24 H new ATOM 0 HH11 ARG A 139 4.791 -43.485 -1.792 1.00 5.33 H new ATOM 0 HH12 ARG A 139 4.461 -45.217 -1.685 1.00 5.33 H new ATOM 0 HH21 ARG A 139 5.071 -45.395 1.782 1.00 4.43 H new ATOM 0 HH22 ARG A 139 4.619 -46.294 0.330 1.00 4.43 H new ATOM 829 N PRO A 140 3.786 -40.163 -3.511 1.00 72.14 N ATOM 830 CA PRO A 140 2.361 -39.848 -3.383 1.00 14.50 C ATOM 831 C PRO A 140 1.641 -40.795 -2.429 1.00 3.15 C ATOM 832 O PRO A 140 1.888 -42.002 -2.433 1.00 52.42 O ATOM 833 CB PRO A 140 1.829 -40.019 -4.808 1.00 25.24 C ATOM 834 CG PRO A 140 2.771 -40.978 -5.451 1.00 34.04 C ATOM 835 CD PRO A 140 4.119 -40.709 -4.838 1.00 45.02 C ATOM 0 HA PRO A 140 2.200 -38.852 -2.970 1.00 14.50 H new ATOM 0 HB2 PRO A 140 0.810 -40.406 -4.806 1.00 25.24 H new ATOM 0 HB3 PRO A 140 1.808 -39.068 -5.340 1.00 25.24 H new ATOM 0 HG2 PRO A 140 2.460 -42.008 -5.274 1.00 34.04 H new ATOM 0 HG3 PRO A 140 2.798 -40.834 -6.531 1.00 34.04 H new ATOM 0 HD2 PRO A 140 4.714 -41.619 -4.761 1.00 45.02 H new ATOM 0 HD3 PRO A 140 4.696 -40.000 -5.431 1.00 45.02 H new ATOM 843 N VAL A 141 0.749 -40.243 -1.613 1.00 14.24 N ATOM 844 CA VAL A 141 -0.007 -41.038 -0.654 1.00 40.14 C ATOM 845 C VAL A 141 -1.507 -40.919 -0.904 1.00 51.04 C ATOM 846 O VAL A 141 -1.983 -39.906 -1.416 1.00 50.42 O ATOM 847 CB VAL A 141 0.297 -40.612 0.794 1.00 61.41 C ATOM 848 CG1 VAL A 141 -0.232 -39.211 1.061 1.00 4.11 C ATOM 849 CG2 VAL A 141 -0.294 -41.610 1.778 1.00 2.25 C ATOM 0 H VAL A 141 0.532 -39.246 -1.597 1.00 14.24 H new ATOM 0 HA VAL A 141 0.301 -42.075 -0.790 1.00 40.14 H new ATOM 0 HB VAL A 141 1.378 -40.598 0.931 1.00 61.41 H new ATOM 0 HG11 VAL A 141 -0.008 -38.927 2.089 1.00 4.11 H new ATOM 0 HG12 VAL A 141 0.243 -38.506 0.378 1.00 4.11 H new ATOM 0 HG13 VAL A 141 -1.311 -39.194 0.907 1.00 4.11 H new ATOM 0 HG21 VAL A 141 -0.070 -41.293 2.797 1.00 2.25 H new ATOM 0 HG22 VAL A 141 -1.375 -41.658 1.643 1.00 2.25 H new ATOM 0 HG23 VAL A 141 0.138 -42.595 1.601 1.00 2.25 H new ATOM 859 N ARG A 142 -2.246 -41.961 -0.537 1.00 71.04 N ATOM 860 CA ARG A 142 -3.693 -41.973 -0.721 1.00 53.24 C ATOM 861 C ARG A 142 -4.327 -40.721 -0.123 1.00 4.13 C ATOM 862 O ARG A 142 -5.359 -40.248 -0.601 1.00 5.33 O ATOM 863 CB ARG A 142 -4.299 -43.222 -0.079 1.00 34.10 C ATOM 864 CG ARG A 142 -4.274 -43.199 1.440 1.00 34.45 C ATOM 865 CD ARG A 142 -4.676 -44.544 2.025 1.00 41.42 C ATOM 866 NE ARG A 142 -3.559 -45.484 2.057 1.00 32.52 N ATOM 867 CZ ARG A 142 -3.608 -46.663 2.665 1.00 43.31 C ATOM 868 NH1 ARG A 142 -4.713 -47.046 3.289 1.00 73.12 N1+ ATOM 869 NH2 ARG A 142 -2.549 -47.463 2.650 1.00 14.02 N ATOM 0 H ARG A 142 -1.867 -42.807 -0.111 1.00 71.04 H new ATOM 0 HA ARG A 142 -3.899 -41.987 -1.791 1.00 53.24 H new ATOM 0 HB2 ARG A 142 -5.330 -43.329 -0.415 1.00 34.10 H new ATOM 0 HB3 ARG A 142 -3.757 -44.100 -0.430 1.00 34.10 H new ATOM 0 HG2 ARG A 142 -3.274 -42.936 1.784 1.00 34.45 H new ATOM 0 HG3 ARG A 142 -4.950 -42.426 1.804 1.00 34.45 H new ATOM 0 HD2 ARG A 142 -5.057 -44.400 3.036 1.00 41.42 H new ATOM 0 HD3 ARG A 142 -5.489 -44.967 1.435 1.00 41.42 H new ATOM 0 HE ARG A 142 -2.693 -45.220 1.586 1.00 32.52 H new ATOM 0 HH11 ARG A 142 -5.529 -46.434 3.303 1.00 73.12 H new ATOM 0 HH12 ARG A 142 -4.747 -47.953 3.755 1.00 73.12 H new ATOM 0 HH21 ARG A 142 -1.697 -47.172 2.171 1.00 14.02 H new ATOM 0 HH22 ARG A 142 -2.587 -48.369 3.117 1.00 14.02 H new ATOM 883 N ASP A 143 -3.705 -40.191 0.923 1.00 41.32 N ATOM 884 CA ASP A 143 -4.209 -38.994 1.587 1.00 33.40 C ATOM 885 C ASP A 143 -3.758 -37.735 0.852 1.00 60.23 C ATOM 886 O ASP A 143 -2.573 -37.562 0.562 1.00 42.31 O ATOM 887 CB ASP A 143 -3.731 -38.950 3.039 1.00 30.13 C ATOM 888 CG ASP A 143 -3.945 -40.267 3.759 1.00 23.42 C ATOM 889 OD1 ASP A 143 -3.175 -41.216 3.500 1.00 65.31 O ATOM 890 OD2 ASP A 143 -4.883 -40.349 4.580 1.00 1.43 O1- ATOM 0 H ASP A 143 -2.850 -40.571 1.330 1.00 41.32 H new ATOM 0 HA ASP A 143 -5.298 -39.032 1.573 1.00 33.40 H new ATOM 0 HB2 ASP A 143 -2.672 -38.695 3.062 1.00 30.13 H new ATOM 0 HB3 ASP A 143 -4.261 -38.159 3.569 1.00 30.13 H new ATOM 895 N THR A 144 -4.710 -36.857 0.553 1.00 33.51 N ATOM 896 CA THR A 144 -4.412 -35.615 -0.150 1.00 12.22 C ATOM 897 C THR A 144 -4.537 -34.414 0.780 1.00 32.31 C ATOM 898 O THR A 144 -4.997 -33.346 0.373 1.00 31.31 O ATOM 899 CB THR A 144 -5.346 -35.415 -1.357 1.00 3.12 C ATOM 900 OG1 THR A 144 -6.706 -35.330 -0.917 1.00 2.12 O ATOM 901 CG2 THR A 144 -5.200 -36.559 -2.350 1.00 34.45 C ATOM 0 H THR A 144 -5.695 -36.983 0.787 1.00 33.51 H new ATOM 0 HA THR A 144 -3.384 -35.691 -0.505 1.00 12.22 H new ATOM 0 HB THR A 144 -5.067 -34.486 -1.853 1.00 3.12 H new ATOM 0 HG1 THR A 144 -7.293 -35.201 -1.691 1.00 2.12 H new ATOM 0 HG21 THR A 144 -5.870 -36.396 -3.194 1.00 34.45 H new ATOM 0 HG22 THR A 144 -4.171 -36.602 -2.706 1.00 34.45 H new ATOM 0 HG23 THR A 144 -5.455 -37.500 -1.862 1.00 34.45 H new ATOM 909 N LEU A 145 -4.124 -34.594 2.031 1.00 25.21 N ATOM 910 CA LEU A 145 -4.190 -33.522 3.019 1.00 41.45 C ATOM 911 C LEU A 145 -2.935 -32.657 2.968 1.00 44.04 C ATOM 912 O LEU A 145 -2.946 -31.503 3.397 1.00 41.05 O ATOM 913 CB LEU A 145 -4.364 -34.106 4.421 1.00 72.14 C ATOM 914 CG LEU A 145 -4.924 -33.156 5.480 1.00 12.03 C ATOM 915 CD1 LEU A 145 -6.441 -33.085 5.383 1.00 10.12 C ATOM 916 CD2 LEU A 145 -4.498 -33.597 6.873 1.00 72.53 C ATOM 0 H LEU A 145 -3.741 -35.471 2.384 1.00 25.21 H new ATOM 0 HA LEU A 145 -5.050 -32.895 2.783 1.00 41.45 H new ATOM 0 HB2 LEU A 145 -5.023 -34.971 4.353 1.00 72.14 H new ATOM 0 HB3 LEU A 145 -3.395 -34.470 4.764 1.00 72.14 H new ATOM 0 HG LEU A 145 -4.520 -32.160 5.297 1.00 12.03 H new ATOM 0 HD11 LEU A 145 -6.823 -32.404 6.144 1.00 10.12 H new ATOM 0 HD12 LEU A 145 -6.726 -32.722 4.396 1.00 10.12 H new ATOM 0 HD13 LEU A 145 -6.862 -34.078 5.540 1.00 10.12 H new ATOM 0 HD21 LEU A 145 -4.906 -32.909 7.613 1.00 72.53 H new ATOM 0 HD22 LEU A 145 -4.872 -34.602 7.067 1.00 72.53 H new ATOM 0 HD23 LEU A 145 -3.410 -33.596 6.938 1.00 72.53 H new ATOM 928 N HIS A 146 -1.855 -33.221 2.437 1.00 33.21 N ATOM 929 CA HIS A 146 -0.591 -32.500 2.327 1.00 1.43 C ATOM 930 C HIS A 146 -0.439 -31.880 0.941 1.00 63.11 C ATOM 931 O HIS A 146 0.665 -31.528 0.525 1.00 22.21 O ATOM 932 CB HIS A 146 0.582 -33.437 2.612 1.00 72.35 C ATOM 933 CG HIS A 146 0.852 -34.411 1.507 1.00 0.24 C ATOM 934 ND1 HIS A 146 -0.002 -35.447 1.191 1.00 1.44 N ATOM 935 CD2 HIS A 146 1.888 -34.503 0.640 1.00 32.41 C ATOM 936 CE1 HIS A 146 0.497 -36.134 0.179 1.00 40.02 C ATOM 937 NE2 HIS A 146 1.643 -35.581 -0.175 1.00 53.34 N ATOM 0 H HIS A 146 -1.829 -34.175 2.076 1.00 33.21 H new ATOM 0 HA HIS A 146 -0.592 -31.699 3.066 1.00 1.43 H new ATOM 0 HB2 HIS A 146 1.478 -32.841 2.787 1.00 72.35 H new ATOM 0 HB3 HIS A 146 0.381 -33.989 3.530 1.00 72.35 H new ATOM 0 HD2 HIS A 146 2.747 -33.850 0.597 1.00 32.41 H new ATOM 0 HE1 HIS A 146 0.045 -37.000 -0.281 1.00 40.02 H new ATOM 0 HE2 HIS A 146 2.248 -35.902 -0.931 1.00 53.34 H new ATOM 945 N LEU A 147 -1.554 -31.750 0.230 1.00 3.03 N ATOM 946 CA LEU A 147 -1.544 -31.174 -1.110 1.00 14.44 C ATOM 947 C LEU A 147 -2.229 -29.811 -1.121 1.00 54.12 C ATOM 948 O LEU A 147 -2.951 -29.477 -2.060 1.00 62.14 O ATOM 949 CB LEU A 147 -2.239 -32.116 -2.096 1.00 15.31 C ATOM 950 CG LEU A 147 -1.464 -33.376 -2.480 1.00 63.33 C ATOM 951 CD1 LEU A 147 -2.265 -34.215 -3.464 1.00 5.30 C ATOM 952 CD2 LEU A 147 -0.109 -33.012 -3.065 1.00 24.23 C ATOM 0 H LEU A 147 -2.476 -32.036 0.559 1.00 3.03 H new ATOM 0 HA LEU A 147 -0.506 -31.041 -1.415 1.00 14.44 H new ATOM 0 HB2 LEU A 147 -3.194 -32.418 -1.667 1.00 15.31 H new ATOM 0 HB3 LEU A 147 -2.460 -31.558 -3.006 1.00 15.31 H new ATOM 0 HG LEU A 147 -1.300 -33.967 -1.579 1.00 63.33 H new ATOM 0 HD11 LEU A 147 -1.698 -35.108 -3.726 1.00 5.30 H new ATOM 0 HD12 LEU A 147 -3.211 -34.507 -3.008 1.00 5.30 H new ATOM 0 HD13 LEU A 147 -2.461 -33.632 -4.364 1.00 5.30 H new ATOM 0 HD21 LEU A 147 0.428 -33.922 -3.332 1.00 24.23 H new ATOM 0 HD22 LEU A 147 -0.250 -32.399 -3.955 1.00 24.23 H new ATOM 0 HD23 LEU A 147 0.468 -32.454 -2.327 1.00 24.23 H new ATOM 964 N GLU A 148 -1.995 -29.028 -0.072 1.00 71.13 N ATOM 965 CA GLU A 148 -2.588 -27.701 0.037 1.00 1.45 C ATOM 966 C GLU A 148 -1.930 -26.901 1.157 1.00 64.53 C ATOM 967 O GLU A 148 -1.894 -27.336 2.306 1.00 52.44 O ATOM 968 CB GLU A 148 -4.093 -27.810 0.290 1.00 74.44 C ATOM 969 CG GLU A 148 -4.460 -28.843 1.343 1.00 61.21 C ATOM 970 CD GLU A 148 -5.875 -28.670 1.862 1.00 71.04 C ATOM 971 OE1 GLU A 148 -6.300 -27.510 2.049 1.00 61.21 O1- ATOM 972 OE2 GLU A 148 -6.556 -29.692 2.081 1.00 15.42 O ATOM 0 H GLU A 148 -1.399 -29.290 0.713 1.00 71.13 H new ATOM 0 HA GLU A 148 -2.422 -27.179 -0.905 1.00 1.45 H new ATOM 0 HB2 GLU A 148 -4.472 -26.836 0.601 1.00 74.44 H new ATOM 0 HB3 GLU A 148 -4.593 -28.063 -0.645 1.00 74.44 H new ATOM 0 HG2 GLU A 148 -4.352 -29.842 0.920 1.00 61.21 H new ATOM 0 HG3 GLU A 148 -3.760 -28.772 2.176 1.00 61.21 H new ATOM 979 N GLY A 149 -1.409 -25.727 0.810 1.00 54.43 N ATOM 980 CA GLY A 149 -0.758 -24.885 1.797 1.00 25.32 C ATOM 981 C GLY A 149 0.686 -25.282 2.036 1.00 34.35 C ATOM 982 O GLY A 149 1.294 -24.873 3.025 1.00 65.23 O ATOM 0 H GLY A 149 -1.426 -25.345 -0.136 1.00 54.43 H new ATOM 0 HA2 GLY A 149 -0.796 -23.847 1.467 1.00 25.32 H new ATOM 0 HA3 GLY A 149 -1.307 -24.941 2.737 1.00 25.32 H new ATOM 986 N LYS A 150 1.235 -26.081 1.129 1.00 70.04 N ATOM 987 CA LYS A 150 2.617 -26.535 1.245 1.00 31.31 C ATOM 988 C LYS A 150 3.589 -25.390 0.980 1.00 54.12 C ATOM 989 O LYS A 150 3.388 -24.593 0.065 1.00 22.52 O ATOM 990 CB LYS A 150 2.882 -27.681 0.266 1.00 50.15 C ATOM 991 CG LYS A 150 4.345 -28.084 0.184 1.00 10.22 C ATOM 992 CD LYS A 150 4.976 -27.631 -1.122 1.00 65.53 C ATOM 993 CE LYS A 150 4.411 -28.398 -2.309 1.00 15.14 C ATOM 994 NZ LYS A 150 4.997 -29.763 -2.415 1.00 42.30 N1+ ATOM 0 H LYS A 150 0.745 -26.428 0.305 1.00 70.04 H new ATOM 0 HA LYS A 150 2.773 -26.892 2.263 1.00 31.31 H new ATOM 0 HB2 LYS A 150 2.291 -28.547 0.565 1.00 50.15 H new ATOM 0 HB3 LYS A 150 2.538 -27.387 -0.726 1.00 50.15 H new ATOM 0 HG2 LYS A 150 4.890 -27.650 1.022 1.00 10.22 H new ATOM 0 HG3 LYS A 150 4.431 -29.167 0.274 1.00 10.22 H new ATOM 0 HD2 LYS A 150 4.802 -26.564 -1.261 1.00 65.53 H new ATOM 0 HD3 LYS A 150 6.055 -27.775 -1.075 1.00 65.53 H new ATOM 0 HE2 LYS A 150 3.328 -28.474 -2.211 1.00 15.14 H new ATOM 0 HE3 LYS A 150 4.610 -27.845 -3.227 1.00 15.14 H new ATOM 0 HZ1 LYS A 150 4.587 -30.254 -3.235 1.00 42.30 H new ATOM 0 HZ2 LYS A 150 6.028 -29.690 -2.534 1.00 42.30 H new ATOM 0 HZ3 LYS A 150 4.786 -30.300 -1.550 1.00 42.30 H new ATOM 1008 N GLU A 151 4.644 -25.317 1.786 1.00 41.22 N ATOM 1009 CA GLU A 151 5.647 -24.269 1.637 1.00 55.31 C ATOM 1010 C GLU A 151 6.923 -24.824 1.008 1.00 33.43 C ATOM 1011 O GLU A 151 7.572 -25.706 1.570 1.00 74.30 O ATOM 1012 CB GLU A 151 5.965 -23.640 2.994 1.00 5.22 C ATOM 1013 CG GLU A 151 6.476 -24.636 4.022 1.00 51.44 C ATOM 1014 CD GLU A 151 6.542 -24.051 5.419 1.00 14.32 C ATOM 1015 OE1 GLU A 151 5.472 -23.732 5.979 1.00 24.15 O ATOM 1016 OE2 GLU A 151 7.662 -23.912 5.952 1.00 1.24 O1- ATOM 0 H GLU A 151 4.826 -25.970 2.548 1.00 41.22 H new ATOM 0 HA GLU A 151 5.241 -23.503 0.977 1.00 55.31 H new ATOM 0 HB2 GLU A 151 6.711 -22.858 2.856 1.00 5.22 H new ATOM 0 HB3 GLU A 151 5.067 -23.159 3.382 1.00 5.22 H new ATOM 0 HG2 GLU A 151 5.826 -25.511 4.029 1.00 51.44 H new ATOM 0 HG3 GLU A 151 7.468 -24.979 3.728 1.00 51.44 H new ATOM 1023 N LEU A 152 7.275 -24.299 -0.160 1.00 4.40 N ATOM 1024 CA LEU A 152 8.472 -24.741 -0.867 1.00 14.53 C ATOM 1025 C LEU A 152 9.212 -23.556 -1.477 1.00 1.52 C ATOM 1026 O LEU A 152 8.597 -22.575 -1.893 1.00 22.54 O ATOM 1027 CB LEU A 152 8.103 -25.745 -1.960 1.00 72.43 C ATOM 1028 CG LEU A 152 9.176 -26.775 -2.316 1.00 52.41 C ATOM 1029 CD1 LEU A 152 9.098 -27.971 -1.382 1.00 52.35 C ATOM 1030 CD2 LEU A 152 9.030 -27.216 -3.765 1.00 3.13 C ATOM 0 H LEU A 152 6.749 -23.567 -0.638 1.00 4.40 H new ATOM 0 HA LEU A 152 9.131 -25.226 -0.147 1.00 14.53 H new ATOM 0 HB2 LEU A 152 7.205 -26.278 -1.647 1.00 72.43 H new ATOM 0 HB3 LEU A 152 7.846 -25.191 -2.863 1.00 72.43 H new ATOM 0 HG LEU A 152 10.154 -26.310 -2.195 1.00 52.41 H new ATOM 0 HD11 LEU A 152 9.869 -28.693 -1.651 1.00 52.35 H new ATOM 0 HD12 LEU A 152 9.252 -27.641 -0.355 1.00 52.35 H new ATOM 0 HD13 LEU A 152 8.117 -28.438 -1.470 1.00 52.35 H new ATOM 0 HD21 LEU A 152 9.801 -27.949 -4.002 1.00 3.13 H new ATOM 0 HD22 LEU A 152 8.047 -27.663 -3.912 1.00 3.13 H new ATOM 0 HD23 LEU A 152 9.137 -26.352 -4.421 1.00 3.13 H new ATOM 1042 N GLU A 153 10.537 -23.655 -1.531 1.00 64.45 N ATOM 1043 CA GLU A 153 11.361 -22.591 -2.093 1.00 72.24 C ATOM 1044 C GLU A 153 11.590 -22.811 -3.586 1.00 52.22 C ATOM 1045 O GLU A 153 11.984 -23.897 -4.011 1.00 74.32 O ATOM 1046 CB GLU A 153 12.704 -22.516 -1.365 1.00 65.41 C ATOM 1047 CG GLU A 153 12.659 -21.697 -0.085 1.00 32.34 C ATOM 1048 CD GLU A 153 13.962 -20.974 0.191 1.00 54.31 C ATOM 1049 OE1 GLU A 153 14.619 -20.544 -0.779 1.00 12.13 O1- ATOM 1050 OE2 GLU A 153 14.326 -20.839 1.379 1.00 31.43 O ATOM 0 H GLU A 153 11.062 -24.461 -1.192 1.00 64.45 H new ATOM 0 HA GLU A 153 10.831 -21.648 -1.959 1.00 72.24 H new ATOM 0 HB2 GLU A 153 13.036 -23.527 -1.128 1.00 65.41 H new ATOM 0 HB3 GLU A 153 13.448 -22.085 -2.036 1.00 65.41 H new ATOM 0 HG2 GLU A 153 11.851 -20.969 -0.152 1.00 32.34 H new ATOM 0 HG3 GLU A 153 12.427 -22.353 0.754 1.00 32.34 H new ATOM 1057 N PHE A 154 11.340 -21.773 -4.377 1.00 71.32 N ATOM 1058 CA PHE A 154 11.517 -21.852 -5.821 1.00 73.31 C ATOM 1059 C PHE A 154 12.631 -20.917 -6.285 1.00 21.25 C ATOM 1060 O PHE A 154 13.257 -20.231 -5.477 1.00 32.42 O ATOM 1061 CB PHE A 154 10.212 -21.502 -6.537 1.00 71.02 C ATOM 1062 CG PHE A 154 9.003 -22.164 -5.939 1.00 21.14 C ATOM 1063 CD1 PHE A 154 8.642 -23.447 -6.316 1.00 33.11 C ATOM 1064 CD2 PHE A 154 8.230 -21.503 -4.997 1.00 72.32 C ATOM 1065 CE1 PHE A 154 7.531 -24.058 -5.768 1.00 3.41 C ATOM 1066 CE2 PHE A 154 7.118 -22.109 -4.445 1.00 33.30 C ATOM 1067 CZ PHE A 154 6.768 -23.389 -4.830 1.00 31.11 C ATOM 0 H PHE A 154 11.014 -20.867 -4.041 1.00 71.32 H new ATOM 0 HA PHE A 154 11.797 -22.875 -6.071 1.00 73.31 H new ATOM 0 HB2 PHE A 154 10.073 -20.421 -6.514 1.00 71.02 H new ATOM 0 HB3 PHE A 154 10.293 -21.791 -7.585 1.00 71.02 H new ATOM 0 HD1 PHE A 154 9.236 -23.976 -7.047 1.00 33.11 H new ATOM 0 HD2 PHE A 154 8.500 -20.503 -4.691 1.00 72.32 H new ATOM 0 HE1 PHE A 154 7.259 -25.058 -6.072 1.00 3.41 H new ATOM 0 HE2 PHE A 154 6.523 -21.583 -3.713 1.00 33.30 H new ATOM 0 HZ PHE A 154 5.900 -23.866 -4.399 1.00 31.11 H new ATOM 1077 N LYS A 155 12.873 -20.898 -7.591 1.00 14.10 N ATOM 1078 CA LYS A 155 13.910 -20.048 -8.165 1.00 52.02 C ATOM 1079 C LYS A 155 13.520 -19.583 -9.564 1.00 34.24 C ATOM 1080 O LYS A 155 13.031 -20.367 -10.377 1.00 74.34 O ATOM 1081 CB LYS A 155 15.242 -20.800 -8.219 1.00 22.41 C ATOM 1082 CG LYS A 155 15.302 -21.855 -9.310 1.00 33.03 C ATOM 1083 CD LYS A 155 16.000 -21.331 -10.554 1.00 61.52 C ATOM 1084 CE LYS A 155 17.102 -22.273 -11.013 1.00 44.24 C ATOM 1085 NZ LYS A 155 16.647 -23.167 -12.113 1.00 21.03 N1+ ATOM 0 H LYS A 155 12.365 -21.462 -8.273 1.00 14.10 H new ATOM 0 HA LYS A 155 14.020 -19.171 -7.527 1.00 52.02 H new ATOM 0 HB2 LYS A 155 16.048 -20.083 -8.374 1.00 22.41 H new ATOM 0 HB3 LYS A 155 15.420 -21.276 -7.255 1.00 22.41 H new ATOM 0 HG2 LYS A 155 15.829 -22.734 -8.939 1.00 33.03 H new ATOM 0 HG3 LYS A 155 14.291 -22.174 -9.566 1.00 33.03 H new ATOM 0 HD2 LYS A 155 15.272 -21.204 -11.355 1.00 61.52 H new ATOM 0 HD3 LYS A 155 16.423 -20.348 -10.348 1.00 61.52 H new ATOM 0 HE2 LYS A 155 17.960 -21.691 -11.350 1.00 44.24 H new ATOM 0 HE3 LYS A 155 17.438 -22.877 -10.170 1.00 44.24 H new ATOM 0 HZ1 LYS A 155 16.841 -24.157 -11.859 1.00 21.03 H new ATOM 0 HZ2 LYS A 155 15.625 -23.042 -12.262 1.00 21.03 H new ATOM 0 HZ3 LYS A 155 17.156 -22.928 -12.988 1.00 21.03 H new ATOM 1099 N VAL A 156 13.740 -18.301 -9.839 1.00 14.23 N ATOM 1100 CA VAL A 156 13.414 -17.732 -11.141 1.00 74.32 C ATOM 1101 C VAL A 156 14.160 -18.453 -12.259 1.00 51.23 C ATOM 1102 O VAL A 156 15.383 -18.361 -12.362 1.00 60.42 O ATOM 1103 CB VAL A 156 13.754 -16.231 -11.198 1.00 20.45 C ATOM 1104 CG1 VAL A 156 13.238 -15.615 -12.491 1.00 14.03 C ATOM 1105 CG2 VAL A 156 13.180 -15.509 -9.988 1.00 31.34 C ATOM 0 H VAL A 156 14.143 -17.637 -9.177 1.00 14.23 H new ATOM 0 HA VAL A 156 12.341 -17.860 -11.283 1.00 74.32 H new ATOM 0 HB VAL A 156 14.838 -16.121 -11.178 1.00 20.45 H new ATOM 0 HG11 VAL A 156 13.487 -14.554 -12.514 1.00 14.03 H new ATOM 0 HG12 VAL A 156 13.701 -16.115 -13.342 1.00 14.03 H new ATOM 0 HG13 VAL A 156 12.156 -15.734 -12.544 1.00 14.03 H new ATOM 0 HG21 VAL A 156 13.430 -14.449 -10.044 1.00 31.34 H new ATOM 0 HG22 VAL A 156 12.096 -15.626 -9.975 1.00 31.34 H new ATOM 0 HG23 VAL A 156 13.602 -15.933 -9.077 1.00 31.34 H new ATOM 1115 N ILE A 157 13.414 -19.169 -13.094 1.00 64.23 N ATOM 1116 CA ILE A 157 14.004 -19.904 -14.205 1.00 1.32 C ATOM 1117 C ILE A 157 13.544 -19.340 -15.545 1.00 51.51 C ATOM 1118 O ILE A 157 14.238 -19.461 -16.554 1.00 50.24 O ATOM 1119 CB ILE A 157 13.649 -21.402 -14.142 1.00 71.04 C ATOM 1120 CG1 ILE A 157 14.411 -22.175 -15.219 1.00 51.24 C ATOM 1121 CG2 ILE A 157 12.148 -21.596 -14.304 1.00 54.14 C ATOM 1122 CD1 ILE A 157 13.639 -22.336 -16.509 1.00 30.43 C ATOM 0 H ILE A 157 12.400 -19.255 -13.022 1.00 64.23 H new ATOM 0 HA ILE A 157 15.085 -19.791 -14.118 1.00 1.32 H new ATOM 0 HB ILE A 157 13.944 -21.790 -13.167 1.00 71.04 H new ATOM 0 HG12 ILE A 157 15.349 -21.661 -15.428 1.00 51.24 H new ATOM 0 HG13 ILE A 157 14.668 -23.162 -14.833 1.00 51.24 H new ATOM 0 HG21 ILE A 157 11.911 -22.659 -14.258 1.00 54.14 H new ATOM 0 HG22 ILE A 157 11.625 -21.073 -13.504 1.00 54.14 H new ATOM 0 HG23 ILE A 157 11.831 -21.196 -15.267 1.00 54.14 H new ATOM 0 HD11 ILE A 157 14.241 -22.894 -17.226 1.00 30.43 H new ATOM 0 HD12 ILE A 157 12.713 -22.877 -16.314 1.00 30.43 H new ATOM 0 HD13 ILE A 157 13.405 -21.353 -16.918 1.00 30.43 H new ATOM 1134 N LYS A 158 12.368 -18.721 -15.546 1.00 11.20 N ATOM 1135 CA LYS A 158 11.814 -18.133 -16.761 1.00 74.04 C ATOM 1136 C LYS A 158 10.602 -17.264 -16.441 1.00 3.31 C ATOM 1137 O LYS A 158 9.579 -17.759 -15.966 1.00 5.10 O ATOM 1138 CB LYS A 158 11.420 -19.232 -17.749 1.00 24.24 C ATOM 1139 CG LYS A 158 12.381 -19.373 -18.917 1.00 25.34 C ATOM 1140 CD LYS A 158 11.689 -19.947 -20.142 1.00 75.32 C ATOM 1141 CE LYS A 158 12.683 -20.605 -21.087 1.00 1.33 C ATOM 1142 NZ LYS A 158 12.023 -21.582 -21.995 1.00 35.23 N1+ ATOM 0 H LYS A 158 11.780 -18.613 -14.719 1.00 11.20 H new ATOM 0 HA LYS A 158 12.581 -17.504 -17.213 1.00 74.04 H new ATOM 0 HB2 LYS A 158 11.364 -20.183 -17.219 1.00 24.24 H new ATOM 0 HB3 LYS A 158 10.422 -19.022 -18.134 1.00 24.24 H new ATOM 0 HG2 LYS A 158 12.805 -18.399 -19.160 1.00 25.34 H new ATOM 0 HG3 LYS A 158 13.211 -20.019 -18.631 1.00 25.34 H new ATOM 0 HD2 LYS A 158 10.943 -20.678 -19.831 1.00 75.32 H new ATOM 0 HD3 LYS A 158 11.158 -19.153 -20.667 1.00 75.32 H new ATOM 0 HE2 LYS A 158 13.182 -19.839 -21.680 1.00 1.33 H new ATOM 0 HE3 LYS A 158 13.454 -21.112 -20.507 1.00 1.33 H new ATOM 0 HZ1 LYS A 158 12.734 -22.008 -22.623 1.00 35.23 H new ATOM 0 HZ2 LYS A 158 11.568 -22.328 -21.431 1.00 35.23 H new ATOM 0 HZ3 LYS A 158 11.305 -21.094 -22.567 1.00 35.23 H new ATOM 1156 N LEU A 159 10.724 -15.968 -16.702 1.00 22.41 N ATOM 1157 CA LEU A 159 9.637 -15.030 -16.444 1.00 43.12 C ATOM 1158 C LEU A 159 9.683 -13.861 -17.422 1.00 63.43 C ATOM 1159 O LEU A 159 10.737 -13.269 -17.650 1.00 65.04 O ATOM 1160 CB LEU A 159 9.716 -14.511 -15.008 1.00 4.42 C ATOM 1161 CG LEU A 159 10.727 -13.392 -14.753 1.00 11.11 C ATOM 1162 CD1 LEU A 159 10.564 -12.834 -13.347 1.00 0.52 C ATOM 1163 CD2 LEU A 159 12.146 -13.897 -14.967 1.00 43.35 C ATOM 0 H LEU A 159 11.565 -15.542 -17.092 1.00 22.41 H new ATOM 0 HA LEU A 159 8.694 -15.558 -16.582 1.00 43.12 H new ATOM 0 HB2 LEU A 159 8.728 -14.154 -14.717 1.00 4.42 H new ATOM 0 HB3 LEU A 159 9.958 -15.348 -14.353 1.00 4.42 H new ATOM 0 HG LEU A 159 10.537 -12.588 -15.464 1.00 11.11 H new ATOM 0 HD11 LEU A 159 11.292 -12.039 -13.184 1.00 0.52 H new ATOM 0 HD12 LEU A 159 9.557 -12.434 -13.229 1.00 0.52 H new ATOM 0 HD13 LEU A 159 10.726 -13.629 -12.619 1.00 0.52 H new ATOM 0 HD21 LEU A 159 12.852 -13.088 -14.781 1.00 43.35 H new ATOM 0 HD22 LEU A 159 12.347 -14.719 -14.280 1.00 43.35 H new ATOM 0 HD23 LEU A 159 12.257 -14.247 -15.993 1.00 43.35 H new ATOM 1175 N ASP A 160 8.531 -13.532 -17.997 1.00 63.41 N ATOM 1176 CA ASP A 160 8.438 -12.430 -18.950 1.00 74.52 C ATOM 1177 C ASP A 160 7.507 -11.339 -18.428 1.00 55.45 C ATOM 1178 O ASP A 160 6.293 -11.527 -18.359 1.00 12.23 O ATOM 1179 CB ASP A 160 7.940 -12.939 -20.303 1.00 1.44 C ATOM 1180 CG ASP A 160 8.549 -14.276 -20.679 1.00 35.14 C ATOM 1181 OD1 ASP A 160 9.792 -14.359 -20.763 1.00 74.23 O1- ATOM 1182 OD2 ASP A 160 7.782 -15.239 -20.887 1.00 20.24 O ATOM 0 H ASP A 160 7.649 -14.012 -17.820 1.00 63.41 H new ATOM 0 HA ASP A 160 9.434 -12.004 -19.075 1.00 74.52 H new ATOM 0 HB2 ASP A 160 6.854 -13.033 -20.275 1.00 1.44 H new ATOM 0 HB3 ASP A 160 8.177 -12.205 -21.074 1.00 1.44 H new ATOM 1187 N GLN A 161 8.087 -10.200 -18.063 1.00 71.33 N ATOM 1188 CA GLN A 161 7.310 -9.079 -17.547 1.00 43.43 C ATOM 1189 C GLN A 161 6.369 -8.530 -18.616 1.00 43.02 C ATOM 1190 O GLN A 161 5.292 -8.020 -18.308 1.00 33.42 O ATOM 1191 CB GLN A 161 8.239 -7.971 -17.052 1.00 3.00 C ATOM 1192 CG GLN A 161 7.554 -6.960 -16.147 1.00 42.43 C ATOM 1193 CD GLN A 161 8.405 -5.732 -15.892 1.00 42.32 C ATOM 1194 OE1 GLN A 161 9.215 -5.705 -14.965 1.00 31.54 O ATOM 1195 NE2 GLN A 161 8.228 -4.707 -16.717 1.00 21.10 N ATOM 0 H GLN A 161 9.091 -10.029 -18.115 1.00 71.33 H new ATOM 0 HA GLN A 161 6.710 -9.440 -16.712 1.00 43.43 H new ATOM 0 HB2 GLN A 161 9.073 -8.421 -16.514 1.00 3.00 H new ATOM 0 HB3 GLN A 161 8.659 -7.450 -17.912 1.00 3.00 H new ATOM 0 HG2 GLN A 161 6.610 -6.655 -16.599 1.00 42.43 H new ATOM 0 HG3 GLN A 161 7.314 -7.434 -15.196 1.00 42.43 H new ATOM 0 HE21 GLN A 161 7.546 -4.772 -17.472 1.00 21.10 H new ATOM 0 HE22 GLN A 161 8.774 -3.854 -16.596 1.00 21.10 H new ATOM 1204 N LYS A 162 6.785 -8.638 -19.874 1.00 74.31 N ATOM 1205 CA LYS A 162 5.981 -8.154 -20.990 1.00 0.03 C ATOM 1206 C LYS A 162 4.748 -9.029 -21.192 1.00 53.11 C ATOM 1207 O LYS A 162 3.707 -8.554 -21.648 1.00 52.53 O ATOM 1208 CB LYS A 162 6.815 -8.127 -22.272 1.00 22.24 C ATOM 1209 CG LYS A 162 6.357 -7.082 -23.274 1.00 53.23 C ATOM 1210 CD LYS A 162 6.905 -7.363 -24.663 1.00 14.41 C ATOM 1211 CE LYS A 162 8.310 -6.806 -24.832 1.00 61.10 C ATOM 1212 NZ LYS A 162 9.093 -7.571 -25.843 1.00 71.30 N1+ ATOM 0 H LYS A 162 7.675 -9.057 -20.146 1.00 74.31 H new ATOM 0 HA LYS A 162 5.652 -7.141 -20.756 1.00 0.03 H new ATOM 0 HB2 LYS A 162 7.857 -7.938 -22.014 1.00 22.24 H new ATOM 0 HB3 LYS A 162 6.776 -9.110 -22.741 1.00 22.24 H new ATOM 0 HG2 LYS A 162 5.268 -7.063 -23.309 1.00 53.23 H new ATOM 0 HG3 LYS A 162 6.683 -6.095 -22.946 1.00 53.23 H new ATOM 0 HD2 LYS A 162 6.915 -8.438 -24.840 1.00 14.41 H new ATOM 0 HD3 LYS A 162 6.246 -6.923 -25.411 1.00 14.41 H new ATOM 0 HE2 LYS A 162 8.252 -5.760 -25.133 1.00 61.10 H new ATOM 0 HE3 LYS A 162 8.829 -6.834 -23.874 1.00 61.10 H new ATOM 0 HZ1 LYS A 162 10.045 -7.160 -25.929 1.00 71.30 H new ATOM 0 HZ2 LYS A 162 9.170 -8.564 -25.543 1.00 71.30 H new ATOM 0 HZ3 LYS A 162 8.611 -7.524 -26.764 1.00 71.30 H new ATOM 1226 N ARG A 163 4.871 -10.307 -20.848 1.00 24.25 N ATOM 1227 CA ARG A 163 3.766 -11.246 -20.991 1.00 62.53 C ATOM 1228 C ARG A 163 2.943 -11.317 -19.709 1.00 54.45 C ATOM 1229 O ARG A 163 1.822 -11.825 -19.706 1.00 65.14 O ATOM 1230 CB ARG A 163 4.295 -12.636 -21.349 1.00 3.31 C ATOM 1231 CG ARG A 163 5.211 -12.647 -22.562 1.00 22.22 C ATOM 1232 CD ARG A 163 5.108 -13.957 -23.327 1.00 13.20 C ATOM 1233 NE ARG A 163 5.950 -13.961 -24.520 1.00 12.45 N ATOM 1234 CZ ARG A 163 6.092 -15.017 -25.314 1.00 22.53 C ATOM 1235 NH1 ARG A 163 5.451 -16.145 -25.045 1.00 24.04 N1+ ATOM 1236 NH2 ARG A 163 6.876 -14.943 -26.383 1.00 20.22 N ATOM 0 H ARG A 163 5.725 -10.715 -20.468 1.00 24.25 H new ATOM 0 HA ARG A 163 3.122 -10.891 -21.795 1.00 62.53 H new ATOM 0 HB2 ARG A 163 4.835 -13.041 -20.493 1.00 3.31 H new ATOM 0 HB3 ARG A 163 3.451 -13.299 -21.536 1.00 3.31 H new ATOM 0 HG2 ARG A 163 4.953 -11.818 -23.221 1.00 22.22 H new ATOM 0 HG3 ARG A 163 6.241 -12.491 -22.242 1.00 22.22 H new ATOM 0 HD2 ARG A 163 5.398 -14.781 -22.675 1.00 13.20 H new ATOM 0 HD3 ARG A 163 4.071 -14.128 -23.615 1.00 13.20 H new ATOM 0 HE ARG A 163 6.456 -13.108 -24.756 1.00 12.45 H new ATOM 0 HH11 ARG A 163 4.846 -16.205 -24.226 1.00 24.04 H new ATOM 0 HH12 ARG A 163 5.563 -16.953 -25.657 1.00 24.04 H new ATOM 0 HH21 ARG A 163 7.369 -14.076 -26.595 1.00 20.22 H new ATOM 0 HH22 ARG A 163 6.985 -15.754 -26.993 1.00 20.22 H new ATOM 1250 N ASN A 164 3.508 -10.805 -18.620 1.00 34.44 N ATOM 1251 CA ASN A 164 2.827 -10.812 -17.331 1.00 31.41 C ATOM 1252 C ASN A 164 2.525 -12.239 -16.882 1.00 13.15 C ATOM 1253 O ASN A 164 1.438 -12.527 -16.385 1.00 31.11 O ATOM 1254 CB ASN A 164 1.529 -10.006 -17.411 1.00 35.43 C ATOM 1255 CG ASN A 164 0.890 -9.801 -16.052 1.00 23.04 C ATOM 1256 OD1 ASN A 164 -0.240 -10.229 -15.814 1.00 72.53 O ATOM 1257 ND2 ASN A 164 1.611 -9.144 -15.152 1.00 42.42 N ATOM 0 H ASN A 164 4.435 -10.380 -18.605 1.00 34.44 H new ATOM 0 HA ASN A 164 3.489 -10.351 -16.597 1.00 31.41 H new ATOM 0 HB2 ASN A 164 1.735 -9.036 -17.863 1.00 35.43 H new ATOM 0 HB3 ASN A 164 0.826 -10.520 -18.066 1.00 35.43 H new ATOM 0 HD21 ASN A 164 1.233 -8.976 -14.220 1.00 42.42 H new ATOM 0 HD22 ASN A 164 2.543 -8.807 -15.393 1.00 42.42 H new ATOM 1264 N ASN A 165 3.498 -13.128 -17.060 1.00 24.24 N ATOM 1265 CA ASN A 165 3.336 -14.524 -16.674 1.00 24.21 C ATOM 1266 C ASN A 165 4.639 -15.088 -16.115 1.00 75.13 C ATOM 1267 O ASN A 165 5.723 -14.791 -16.617 1.00 12.32 O ATOM 1268 CB ASN A 165 2.880 -15.358 -17.873 1.00 52.22 C ATOM 1269 CG ASN A 165 2.489 -16.769 -17.482 1.00 64.44 C ATOM 1270 OD1 ASN A 165 3.226 -17.722 -17.732 1.00 33.43 O ATOM 1271 ND2 ASN A 165 1.322 -16.909 -16.861 1.00 51.05 N ATOM 0 H ASN A 165 4.406 -12.906 -17.469 1.00 24.24 H new ATOM 0 HA ASN A 165 2.575 -14.573 -15.895 1.00 24.21 H new ATOM 0 HB2 ASN A 165 2.031 -14.868 -18.351 1.00 52.22 H new ATOM 0 HB3 ASN A 165 3.682 -15.397 -18.610 1.00 52.22 H new ATOM 0 HD21 ASN A 165 1.006 -17.835 -16.572 1.00 51.05 H new ATOM 0 HD22 ASN A 165 0.743 -16.091 -16.674 1.00 51.05 H new ATOM 1278 N VAL A 166 4.526 -15.905 -15.073 1.00 14.54 N ATOM 1279 CA VAL A 166 5.694 -16.512 -14.446 1.00 71.02 C ATOM 1280 C VAL A 166 5.443 -17.981 -14.124 1.00 3.03 C ATOM 1281 O VAL A 166 4.348 -18.358 -13.706 1.00 35.01 O ATOM 1282 CB VAL A 166 6.084 -15.773 -13.152 1.00 45.01 C ATOM 1283 CG1 VAL A 166 7.351 -16.370 -12.558 1.00 21.30 C ATOM 1284 CG2 VAL A 166 6.261 -14.286 -13.421 1.00 20.03 C ATOM 0 H VAL A 166 3.637 -16.162 -14.645 1.00 14.54 H new ATOM 0 HA VAL A 166 6.514 -16.434 -15.160 1.00 71.02 H new ATOM 0 HB VAL A 166 5.279 -15.895 -12.427 1.00 45.01 H new ATOM 0 HG11 VAL A 166 7.611 -15.835 -11.644 1.00 21.30 H new ATOM 0 HG12 VAL A 166 7.184 -17.422 -12.328 1.00 21.30 H new ATOM 0 HG13 VAL A 166 8.166 -16.281 -13.276 1.00 21.30 H new ATOM 0 HG21 VAL A 166 6.536 -13.779 -12.496 1.00 20.03 H new ATOM 0 HG22 VAL A 166 7.047 -14.141 -14.162 1.00 20.03 H new ATOM 0 HG23 VAL A 166 5.326 -13.871 -13.798 1.00 20.03 H new ATOM 1294 N VAL A 167 6.465 -18.807 -14.320 1.00 13.11 N ATOM 1295 CA VAL A 167 6.358 -20.235 -14.049 1.00 13.14 C ATOM 1296 C VAL A 167 7.577 -20.744 -13.287 1.00 22.44 C ATOM 1297 O VAL A 167 8.562 -20.025 -13.121 1.00 43.21 O ATOM 1298 CB VAL A 167 6.205 -21.044 -15.350 1.00 34.31 C ATOM 1299 CG1 VAL A 167 4.937 -20.638 -16.087 1.00 72.33 C ATOM 1300 CG2 VAL A 167 7.428 -20.861 -16.237 1.00 20.40 C ATOM 0 H VAL A 167 7.378 -18.511 -14.666 1.00 13.11 H new ATOM 0 HA VAL A 167 5.467 -20.374 -13.437 1.00 13.14 H new ATOM 0 HB VAL A 167 6.124 -22.100 -15.093 1.00 34.31 H new ATOM 0 HG11 VAL A 167 4.847 -21.221 -17.004 1.00 72.33 H new ATOM 0 HG12 VAL A 167 4.071 -20.825 -15.452 1.00 72.33 H new ATOM 0 HG13 VAL A 167 4.984 -19.577 -16.334 1.00 72.33 H new ATOM 0 HG21 VAL A 167 7.303 -21.440 -17.152 1.00 20.40 H new ATOM 0 HG22 VAL A 167 7.542 -19.806 -16.487 1.00 20.40 H new ATOM 0 HG23 VAL A 167 8.316 -21.206 -15.708 1.00 20.40 H new ATOM 1310 N VAL A 168 7.502 -21.988 -12.824 1.00 51.55 N ATOM 1311 CA VAL A 168 8.600 -22.594 -12.081 1.00 64.01 C ATOM 1312 C VAL A 168 9.110 -23.849 -12.780 1.00 10.40 C ATOM 1313 O VAL A 168 8.352 -24.552 -13.448 1.00 41.54 O ATOM 1314 CB VAL A 168 8.174 -22.957 -10.646 1.00 22.31 C ATOM 1315 CG1 VAL A 168 9.378 -23.388 -9.824 1.00 30.42 C ATOM 1316 CG2 VAL A 168 7.462 -21.784 -9.990 1.00 74.30 C ATOM 0 H VAL A 168 6.692 -22.595 -12.951 1.00 51.55 H new ATOM 0 HA VAL A 168 9.399 -21.854 -12.039 1.00 64.01 H new ATOM 0 HB VAL A 168 7.478 -23.795 -10.693 1.00 22.31 H new ATOM 0 HG11 VAL A 168 9.057 -23.640 -8.813 1.00 30.42 H new ATOM 0 HG12 VAL A 168 9.841 -24.260 -10.286 1.00 30.42 H new ATOM 0 HG13 VAL A 168 10.101 -22.573 -9.782 1.00 30.42 H new ATOM 0 HG21 VAL A 168 7.168 -22.057 -8.977 1.00 74.30 H new ATOM 0 HG22 VAL A 168 8.133 -20.925 -9.954 1.00 74.30 H new ATOM 0 HG23 VAL A 168 6.575 -21.527 -10.569 1.00 74.30 H new ATOM 1326 N SER A 169 10.401 -24.125 -12.623 1.00 61.10 N ATOM 1327 CA SER A 169 11.014 -25.294 -13.242 1.00 42.35 C ATOM 1328 C SER A 169 10.866 -26.522 -12.349 1.00 41.01 C ATOM 1329 O SER A 169 10.617 -26.404 -11.149 1.00 55.21 O ATOM 1330 CB SER A 169 12.494 -25.030 -13.524 1.00 11.22 C ATOM 1331 OG SER A 169 12.987 -23.973 -12.719 1.00 62.55 O ATOM 0 H SER A 169 11.043 -23.555 -12.072 1.00 61.10 H new ATOM 0 HA SER A 169 10.501 -25.487 -14.184 1.00 42.35 H new ATOM 0 HB2 SER A 169 13.071 -25.935 -13.334 1.00 11.22 H new ATOM 0 HB3 SER A 169 12.628 -24.782 -14.577 1.00 11.22 H new ATOM 0 HG SER A 169 13.935 -23.826 -12.917 1.00 62.55 H new ATOM 1337 N ARG A 170 11.019 -27.700 -12.944 1.00 13.32 N ATOM 1338 CA ARG A 170 10.902 -28.951 -12.204 1.00 64.45 C ATOM 1339 C ARG A 170 12.270 -29.436 -11.735 1.00 32.44 C ATOM 1340 O ARG A 170 12.393 -30.038 -10.668 1.00 71.21 O ATOM 1341 CB ARG A 170 10.239 -30.022 -13.073 1.00 3.01 C ATOM 1342 CG ARG A 170 10.905 -30.205 -14.428 1.00 21.22 C ATOM 1343 CD ARG A 170 9.976 -29.806 -15.563 1.00 64.43 C ATOM 1344 NE ARG A 170 10.713 -29.417 -16.763 1.00 33.33 N ATOM 1345 CZ ARG A 170 10.177 -28.729 -17.764 1.00 12.34 C ATOM 1346 NH1 ARG A 170 8.906 -28.356 -17.711 1.00 3.35 N1+ ATOM 1347 NH2 ARG A 170 10.911 -28.413 -18.822 1.00 44.41 N ATOM 0 H ARG A 170 11.224 -27.815 -13.937 1.00 13.32 H new ATOM 0 HA ARG A 170 10.281 -28.768 -11.327 1.00 64.45 H new ATOM 0 HB2 ARG A 170 10.254 -30.972 -12.539 1.00 3.01 H new ATOM 0 HB3 ARG A 170 9.192 -29.758 -13.225 1.00 3.01 H new ATOM 0 HG2 ARG A 170 11.814 -29.605 -14.472 1.00 21.22 H new ATOM 0 HG3 ARG A 170 11.204 -31.246 -14.550 1.00 21.22 H new ATOM 0 HD2 ARG A 170 9.313 -30.639 -15.799 1.00 64.43 H new ATOM 0 HD3 ARG A 170 9.345 -28.978 -15.241 1.00 64.43 H new ATOM 0 HE ARG A 170 11.693 -29.689 -16.836 1.00 33.33 H new ATOM 0 HH11 ARG A 170 8.337 -28.597 -16.900 1.00 3.35 H new ATOM 0 HH12 ARG A 170 8.497 -27.827 -18.482 1.00 3.35 H new ATOM 0 HH21 ARG A 170 11.889 -28.699 -18.868 1.00 44.41 H new ATOM 0 HH22 ARG A 170 10.497 -27.884 -19.590 1.00 44.41 H new ATOM 1361 N ARG A 171 13.294 -29.172 -12.540 1.00 61.43 N ATOM 1362 CA ARG A 171 14.653 -29.583 -12.208 1.00 54.13 C ATOM 1363 C ARG A 171 15.257 -28.662 -11.153 1.00 41.13 C ATOM 1364 O ARG A 171 16.159 -29.055 -10.414 1.00 64.11 O ATOM 1365 CB ARG A 171 15.528 -29.584 -13.463 1.00 13.15 C ATOM 1366 CG ARG A 171 16.704 -30.544 -13.384 1.00 24.35 C ATOM 1367 CD ARG A 171 17.794 -30.174 -14.377 1.00 42.03 C ATOM 1368 NE ARG A 171 18.743 -31.265 -14.581 1.00 64.34 N ATOM 1369 CZ ARG A 171 19.650 -31.278 -15.552 1.00 51.24 C ATOM 1370 NH1 ARG A 171 19.732 -30.264 -16.401 1.00 23.41 N1+ ATOM 1371 NH2 ARG A 171 20.479 -32.308 -15.672 1.00 34.32 N ATOM 0 H ARG A 171 13.208 -28.675 -13.427 1.00 61.43 H new ATOM 0 HA ARG A 171 14.612 -30.593 -11.801 1.00 54.13 H new ATOM 0 HB2 ARG A 171 14.913 -29.846 -14.324 1.00 13.15 H new ATOM 0 HB3 ARG A 171 15.904 -28.575 -13.635 1.00 13.15 H new ATOM 0 HG2 ARG A 171 17.113 -30.537 -12.374 1.00 24.35 H new ATOM 0 HG3 ARG A 171 16.360 -31.559 -13.582 1.00 24.35 H new ATOM 0 HD2 ARG A 171 17.339 -29.906 -15.331 1.00 42.03 H new ATOM 0 HD3 ARG A 171 18.326 -29.293 -14.019 1.00 42.03 H new ATOM 0 HE ARG A 171 18.708 -32.060 -13.943 1.00 64.34 H new ATOM 0 HH11 ARG A 171 19.098 -29.470 -16.310 1.00 23.41 H new ATOM 0 HH12 ARG A 171 20.429 -30.277 -17.145 1.00 23.41 H new ATOM 0 HH21 ARG A 171 20.420 -33.089 -15.019 1.00 34.32 H new ATOM 0 HH22 ARG A 171 21.175 -32.318 -16.417 1.00 34.32 H new ATOM 1385 N ALA A 172 14.754 -27.433 -11.090 1.00 63.40 N ATOM 1386 CA ALA A 172 15.244 -26.457 -10.124 1.00 2.13 C ATOM 1387 C ALA A 172 14.797 -26.811 -8.710 1.00 45.02 C ATOM 1388 O ALA A 172 15.249 -26.208 -7.737 1.00 44.21 O ATOM 1389 CB ALA A 172 14.765 -25.061 -10.497 1.00 62.22 C ATOM 0 H ALA A 172 14.008 -27.090 -11.696 1.00 63.40 H new ATOM 0 HA ALA A 172 16.334 -26.475 -10.147 1.00 2.13 H new ATOM 0 HB1 ALA A 172 15.138 -24.342 -9.768 1.00 62.22 H new ATOM 0 HB2 ALA A 172 15.139 -24.801 -11.487 1.00 62.22 H new ATOM 0 HB3 ALA A 172 13.675 -25.040 -10.503 1.00 62.22 H new ATOM 1395 N VAL A 173 13.906 -27.792 -8.604 1.00 4.21 N ATOM 1396 CA VAL A 173 13.399 -28.228 -7.309 1.00 11.43 C ATOM 1397 C VAL A 173 14.541 -28.527 -6.344 1.00 14.32 C ATOM 1398 O VAL A 173 14.399 -28.369 -5.130 1.00 63.23 O ATOM 1399 CB VAL A 173 12.514 -29.482 -7.445 1.00 61.53 C ATOM 1400 CG1 VAL A 173 13.349 -30.679 -7.875 1.00 60.30 C ATOM 1401 CG2 VAL A 173 11.792 -29.767 -6.137 1.00 52.12 C ATOM 0 H VAL A 173 13.521 -28.300 -9.400 1.00 4.21 H new ATOM 0 HA VAL A 173 12.797 -27.410 -6.913 1.00 11.43 H new ATOM 0 HB VAL A 173 11.764 -29.297 -8.214 1.00 61.53 H new ATOM 0 HG11 VAL A 173 12.708 -31.556 -7.966 1.00 60.30 H new ATOM 0 HG12 VAL A 173 13.817 -30.470 -8.837 1.00 60.30 H new ATOM 0 HG13 VAL A 173 14.122 -30.870 -7.130 1.00 60.30 H new ATOM 0 HG21 VAL A 173 11.171 -30.656 -6.250 1.00 52.12 H new ATOM 0 HG22 VAL A 173 12.524 -29.934 -5.346 1.00 52.12 H new ATOM 0 HG23 VAL A 173 11.163 -28.916 -5.876 1.00 52.12 H new ATOM 1411 N ILE A 174 15.673 -28.958 -6.890 1.00 53.34 N ATOM 1412 CA ILE A 174 16.840 -29.278 -6.078 1.00 61.21 C ATOM 1413 C ILE A 174 17.193 -28.123 -5.145 1.00 61.34 C ATOM 1414 O ILE A 174 17.736 -28.333 -4.061 1.00 73.44 O ATOM 1415 CB ILE A 174 18.062 -29.608 -6.954 1.00 31.14 C ATOM 1416 CG1 ILE A 174 18.364 -28.448 -7.906 1.00 21.44 C ATOM 1417 CG2 ILE A 174 17.824 -30.893 -7.733 1.00 1.52 C ATOM 1418 CD1 ILE A 174 19.593 -28.671 -8.758 1.00 43.50 C ATOM 0 H ILE A 174 15.807 -29.094 -7.892 1.00 53.34 H new ATOM 0 HA ILE A 174 16.582 -30.155 -5.485 1.00 61.21 H new ATOM 0 HB ILE A 174 18.926 -29.754 -6.306 1.00 31.14 H new ATOM 0 HG12 ILE A 174 17.504 -28.290 -8.557 1.00 21.44 H new ATOM 0 HG13 ILE A 174 18.496 -27.536 -7.324 1.00 21.44 H new ATOM 0 HG21 ILE A 174 18.697 -31.113 -8.348 1.00 1.52 H new ATOM 0 HG22 ILE A 174 17.654 -31.714 -7.037 1.00 1.52 H new ATOM 0 HG23 ILE A 174 16.950 -30.774 -8.373 1.00 1.52 H new ATOM 0 HD11 ILE A 174 19.746 -27.810 -9.408 1.00 43.50 H new ATOM 0 HD12 ILE A 174 20.463 -28.800 -8.115 1.00 43.50 H new ATOM 0 HD13 ILE A 174 19.457 -29.565 -9.367 1.00 43.50 H new ATOM 1430 N GLU A 175 16.881 -26.905 -5.576 1.00 41.14 N ATOM 1431 CA GLU A 175 17.165 -25.717 -4.779 1.00 41.22 C ATOM 1432 C GLU A 175 16.551 -25.837 -3.387 1.00 41.13 C ATOM 1433 O GLU A 175 17.265 -25.907 -2.386 1.00 64.54 O ATOM 1434 CB GLU A 175 16.629 -24.466 -5.478 1.00 45.13 C ATOM 1435 CG GLU A 175 17.464 -24.031 -6.671 1.00 52.34 C ATOM 1436 CD GLU A 175 18.783 -23.403 -6.263 1.00 64.43 C ATOM 1437 OE1 GLU A 175 18.757 -22.382 -5.544 1.00 72.13 O ATOM 1438 OE2 GLU A 175 19.841 -23.933 -6.662 1.00 13.32 O1- ATOM 0 H GLU A 175 16.432 -26.715 -6.472 1.00 41.14 H new ATOM 0 HA GLU A 175 18.247 -25.631 -4.675 1.00 41.22 H new ATOM 0 HB2 GLU A 175 15.608 -24.654 -5.809 1.00 45.13 H new ATOM 0 HB3 GLU A 175 16.585 -23.648 -4.758 1.00 45.13 H new ATOM 0 HG2 GLU A 175 17.659 -24.894 -7.308 1.00 52.34 H new ATOM 0 HG3 GLU A 175 16.895 -23.317 -7.267 1.00 52.34 H new ATOM 1445 N SER A 176 15.223 -25.858 -3.332 1.00 33.30 N ATOM 1446 CA SER A 176 14.513 -25.965 -2.063 1.00 74.04 C ATOM 1447 C SER A 176 15.029 -27.147 -1.249 1.00 63.41 C ATOM 1448 O SER A 176 15.244 -27.036 -0.042 1.00 54.23 O ATOM 1449 CB SER A 176 13.010 -26.115 -2.307 1.00 15.31 C ATOM 1450 OG SER A 176 12.439 -27.050 -1.409 1.00 72.12 O ATOM 0 H SER A 176 14.618 -25.802 -4.151 1.00 33.30 H new ATOM 0 HA SER A 176 14.692 -25.051 -1.496 1.00 74.04 H new ATOM 0 HB2 SER A 176 12.521 -25.148 -2.190 1.00 15.31 H new ATOM 0 HB3 SER A 176 12.835 -26.438 -3.333 1.00 15.31 H new ATOM 0 HG SER A 176 11.900 -27.697 -1.910 1.00 72.12 H new ATOM 1456 N GLU A 177 15.223 -28.279 -1.919 1.00 54.35 N ATOM 1457 CA GLU A 177 15.713 -29.483 -1.258 1.00 44.40 C ATOM 1458 C GLU A 177 17.033 -29.211 -0.542 1.00 62.41 C ATOM 1459 O GLU A 177 17.187 -29.524 0.638 1.00 45.33 O ATOM 1460 CB GLU A 177 15.893 -30.613 -2.274 1.00 54.14 C ATOM 1461 CG GLU A 177 14.589 -31.275 -2.685 1.00 45.50 C ATOM 1462 CD GLU A 177 14.806 -32.590 -3.409 1.00 30.24 C ATOM 1463 OE1 GLU A 177 15.116 -32.555 -4.619 1.00 54.53 O1- ATOM 1464 OE2 GLU A 177 14.666 -33.652 -2.768 1.00 1.22 O ATOM 0 H GLU A 177 15.048 -28.387 -2.918 1.00 54.35 H new ATOM 0 HA GLU A 177 14.974 -29.787 -0.517 1.00 44.40 H new ATOM 0 HB2 GLU A 177 16.385 -30.217 -3.162 1.00 54.14 H new ATOM 0 HB3 GLU A 177 16.557 -31.368 -1.852 1.00 54.14 H new ATOM 0 HG2 GLU A 177 13.979 -31.449 -1.799 1.00 45.50 H new ATOM 0 HG3 GLU A 177 14.029 -30.597 -3.330 1.00 45.50 H new ATOM 1471 N ASN A 178 17.983 -28.628 -1.266 1.00 31.53 N ATOM 1472 CA ASN A 178 19.291 -28.316 -0.701 1.00 54.34 C ATOM 1473 C ASN A 178 19.601 -26.828 -0.838 1.00 61.14 C ATOM 1474 O ASN A 178 20.448 -26.432 -1.639 1.00 23.32 O ATOM 1475 CB ASN A 178 20.378 -29.142 -1.393 1.00 24.22 C ATOM 1476 CG ASN A 178 21.629 -29.274 -0.547 1.00 53.15 C ATOM 1477 OD1 ASN A 178 22.573 -28.496 -0.688 1.00 22.43 O ATOM 1478 ND2 ASN A 178 21.642 -30.263 0.339 1.00 41.11 N ATOM 0 H ASN A 178 17.872 -28.362 -2.244 1.00 31.53 H new ATOM 0 HA ASN A 178 19.272 -28.569 0.359 1.00 54.34 H new ATOM 0 HB2 ASN A 178 19.988 -30.135 -1.618 1.00 24.22 H new ATOM 0 HB3 ASN A 178 20.634 -28.677 -2.345 1.00 24.22 H new ATOM 0 HD21 ASN A 178 22.457 -30.402 0.937 1.00 41.11 H new ATOM 0 HD22 ASN A 178 20.837 -30.884 0.422 1.00 41.11 H new ATOM 1485 N SER A 179 18.911 -26.010 -0.051 1.00 21.43 N ATOM 1486 CA SER A 179 19.110 -24.567 -0.086 1.00 15.51 C ATOM 1487 C SER A 179 20.590 -24.219 0.046 1.00 64.24 C ATOM 1488 O SER A 179 21.243 -24.605 1.014 1.00 71.22 O ATOM 1489 CB SER A 179 18.314 -23.893 1.033 1.00 21.23 C ATOM 1490 OG SER A 179 18.669 -24.421 2.300 1.00 74.50 O ATOM 0 H SER A 179 18.209 -26.322 0.619 1.00 21.43 H new ATOM 0 HA SER A 179 18.753 -24.199 -1.048 1.00 15.51 H new ATOM 0 HB2 SER A 179 18.498 -22.819 1.019 1.00 21.23 H new ATOM 0 HB3 SER A 179 17.247 -24.036 0.862 1.00 21.23 H new ATOM 0 HG SER A 179 19.635 -24.582 2.328 1.00 74.50 H new