USER MOD reduce.3.24.130724 H: found=0, std=0, add=527, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 530 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 NoAdj : A 6 ASNHD21 : A 6 ASN OD1 : A 76 LALA :(metal ligand) USER MOD NoAdj : A 6 ASNHD22 : A 6 ASN OD1 : A 76 LALA :(metal ligand) USER MOD Set 1.1: A 51 GLN :FLIP amide:sc= 0 F(o=-0.7,f=-0.013) USER MOD Set 1.2: A 54 ASN : amide:sc= -0.0127 X(o=-0.013,f=-0.39) USER MOD Set 2.1: A 35 THR OG1 : rot 174:sc= -0.668 USER MOD Set 2.2: A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 CYS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.00871 USER MOD Single : A 7 ASN :FLIP amide:sc= 0 F(o=-0.94,f=0) USER MOD Single : A 11 TYR OH : rot -62:sc= 1.19 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot -150:sc= -0.0156 USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot -130:sc= -1.4! USER MOD Single : A 23 LYS NZ :NH3+ -154:sc= 0 (180deg=-0.795) USER MOD Single : A 27 ASN : amide:sc= -0.107 X(o=-0.11,f=-0.29) USER MOD Single : A 29 LYS NZ :NH3+ 153:sc= -4.47! (180deg=-5.35!) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ -106:sc= 0.00659 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot -150:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -144:sc= 0 (180deg=-0.0976) USER MOD Single : A 50 LYS NZ :NH3+ -140:sc= 1.2 (180deg=-0.333) USER MOD Single : A 56 ASN : amide:sc= -14.1! C(o=-14!,f=-15!) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot -11:sc= -1.53 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ -150:sc= -2.25! (180deg=-5.52!) USER MOD Single : A 70 THR OG1 : rot 71:sc= 1.11 USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.077 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 1.325 0.000 0.000 1.00 11.00 N ATOM 2 CA CYS A 1 2.073 0.000 -1.246 1.00 3.05 C ATOM 3 C CYS A 1 1.655 -1.228 -2.057 1.00 5.20 C ATOM 4 O CYS A 1 2.172 -2.323 -1.842 1.00 71.42 O ATOM 5 CB CYS A 1 3.583 0.034 -0.998 1.00 52.13 C ATOM 6 SG CYS A 1 4.593 -0.746 -2.310 1.00 0.21 S ATOM 0 H1 CYS A 1 1.595 0.829 0.567 1.00 11.00 H new ATOM 0 H2 CYS A 1 0.306 0.039 -0.207 1.00 11.00 H new ATOM 0 H3 CYS A 1 1.537 -0.868 0.532 1.00 11.00 H new ATOM 0 HA CYS A 1 1.843 0.903 -1.812 1.00 3.05 H new ATOM 0 HB2 CYS A 1 3.896 1.072 -0.887 1.00 52.13 H new ATOM 0 HB3 CYS A 1 3.793 -0.465 -0.052 1.00 52.13 H new ATOM 11 N TYR A 2 0.724 -1.004 -2.972 1.00 43.34 N ATOM 12 CA TYR A 2 0.231 -2.078 -3.817 1.00 62.21 C ATOM 13 C TYR A 2 1.356 -2.662 -4.675 1.00 10.24 C ATOM 14 O TYR A 2 2.409 -2.044 -4.828 1.00 33.42 O ATOM 15 CB TYR A 2 -0.818 -1.446 -4.734 1.00 64.13 C ATOM 16 CG TYR A 2 -2.104 -1.033 -4.017 1.00 32.44 C ATOM 17 CD1 TYR A 2 -2.839 -1.973 -3.322 1.00 70.13 C ATOM 18 CD2 TYR A 2 -2.530 0.278 -4.063 1.00 51.54 C ATOM 19 CE1 TYR A 2 -4.050 -1.585 -2.647 1.00 1.42 C ATOM 20 CE2 TYR A 2 -3.741 0.667 -3.388 1.00 20.12 C ATOM 21 CZ TYR A 2 -4.441 -0.284 -2.713 1.00 11.21 C ATOM 22 OH TYR A 2 -5.585 0.083 -2.075 1.00 2.11 O ATOM 0 H TYR A 2 0.298 -0.094 -3.147 1.00 43.34 H new ATOM 0 HA TYR A 2 -0.177 -2.887 -3.210 1.00 62.21 H new ATOM 0 HB2 TYR A 2 -0.384 -0.569 -5.214 1.00 64.13 H new ATOM 0 HB3 TYR A 2 -1.067 -2.153 -5.526 1.00 64.13 H new ATOM 0 HD1 TYR A 2 -2.505 -2.999 -3.285 1.00 70.13 H new ATOM 0 HD2 TYR A 2 -1.955 1.013 -4.606 1.00 51.54 H new ATOM 0 HE1 TYR A 2 -4.635 -2.310 -2.101 1.00 1.42 H new ATOM 0 HE2 TYR A 2 -4.085 1.690 -3.417 1.00 20.12 H new ATOM 0 HH TYR A 2 -5.740 1.042 -2.207 1.00 2.11 H new ATOM 32 N VAL A 3 1.095 -3.845 -5.211 1.00 52.32 N ATOM 33 CA VAL A 3 2.072 -4.519 -6.049 1.00 41.53 C ATOM 34 C VAL A 3 1.389 -5.009 -7.328 1.00 24.13 C ATOM 35 O VAL A 3 0.370 -5.670 -7.335 1.00 20.51 O ATOM 36 CB VAL A 3 2.749 -5.644 -5.263 1.00 55.53 C ATOM 37 CG1 VAL A 3 2.017 -6.972 -5.468 1.00 2.32 C ATOM 38 CG2 VAL A 3 4.226 -5.766 -5.643 1.00 75.52 C ATOM 0 H VAL A 3 0.221 -4.354 -5.081 1.00 52.32 H new ATOM 0 HA VAL A 3 2.861 -3.829 -6.346 1.00 41.53 H new ATOM 0 HB VAL A 3 2.696 -5.393 -4.204 1.00 55.53 H new ATOM 0 HG11 VAL A 3 2.518 -7.755 -4.899 1.00 2.32 H new ATOM 0 HG12 VAL A 3 0.987 -6.876 -5.125 1.00 2.32 H new ATOM 0 HG13 VAL A 3 2.024 -7.232 -6.527 1.00 2.32 H new ATOM 0 HG21 VAL A 3 4.684 -6.573 -5.070 1.00 75.52 H new ATOM 0 HG22 VAL A 3 4.311 -5.983 -6.708 1.00 75.52 H new ATOM 0 HG23 VAL A 3 4.737 -4.829 -5.422 1.00 75.52 H new ATOM 48 N ASP A 4 1.984 -4.665 -8.437 1.00 33.13 N ATOM 49 CA ASP A 4 1.420 -5.087 -9.750 1.00 61.10 C ATOM 50 C ASP A 4 1.975 -6.461 -10.141 1.00 43.41 C ATOM 51 O ASP A 4 3.170 -6.677 -9.942 1.00 52.53 O ATOM 52 CB ASP A 4 1.883 -4.019 -10.741 1.00 44.30 C ATOM 53 CG ASP A 4 1.254 -4.283 -12.110 1.00 21.13 C ATOM 54 OD1 ASP A 4 0.660 -5.336 -12.274 1.00 33.42 O ATOM 55 OD2 ASP A 4 1.377 -3.430 -12.973 1.00 5.51 O ATOM 0 H ASP A 4 2.838 -4.109 -8.490 1.00 33.13 H new ATOM 0 HA ASP A 4 0.334 -5.176 -9.727 1.00 61.10 H new ATOM 0 HB2 ASP A 4 1.599 -3.029 -10.384 1.00 44.30 H new ATOM 0 HB3 ASP A 4 2.970 -4.029 -10.821 1.00 44.30 H new ATOM 60 N THR A 5 1.132 -7.337 -10.667 1.00 13.51 N ATOM 61 CA THR A 5 1.578 -8.663 -11.059 1.00 52.54 C ATOM 62 C THR A 5 1.652 -8.771 -12.584 1.00 11.33 C ATOM 63 O THR A 5 1.672 -9.872 -13.131 1.00 62.02 O ATOM 64 CB THR A 5 0.636 -9.686 -10.423 1.00 35.04 C ATOM 65 OG1 THR A 5 -0.645 -9.357 -10.954 1.00 61.03 O ATOM 66 CG2 THR A 5 0.478 -9.478 -8.915 1.00 74.00 C ATOM 0 H THR A 5 0.142 -7.154 -10.831 1.00 13.51 H new ATOM 0 HA THR A 5 2.588 -8.863 -10.700 1.00 52.54 H new ATOM 0 HB THR A 5 1.011 -10.692 -10.614 1.00 35.04 H new ATOM 0 HG1 THR A 5 -1.316 -9.974 -10.594 1.00 61.03 H new ATOM 0 HG21 THR A 5 -0.201 -10.230 -8.513 1.00 74.00 H new ATOM 0 HG22 THR A 5 1.450 -9.571 -8.431 1.00 74.00 H new ATOM 0 HG23 THR A 5 0.072 -8.484 -8.725 1.00 74.00 H new ATOM 74 N ASN A 6 1.690 -7.613 -13.226 1.00 2.41 N ATOM 75 CA ASN A 6 1.762 -7.563 -14.676 1.00 74.14 C ATOM 76 C ASN A 6 3.131 -7.025 -15.097 1.00 73.02 C ATOM 77 O ASN A 6 3.609 -7.323 -16.190 1.00 44.25 O ATOM 78 CB ASN A 6 0.691 -6.632 -15.249 1.00 63.01 C ATOM 79 CG ASN A 6 -0.639 -6.807 -14.513 1.00 63.32 C ATOM 80 OD1 ASN A 6 -1.396 -5.872 -14.316 1.00 15.33 O ATOM 81 ND2 ASN A 6 -0.879 -8.055 -14.120 1.00 1.21 N ATOM 0 H ASN A 6 1.672 -6.702 -12.768 1.00 2.41 H new ATOM 0 HA ASN A 6 1.603 -8.572 -15.056 1.00 74.14 H new ATOM 0 HB2 ASN A 6 1.022 -5.597 -15.167 1.00 63.01 H new ATOM 0 HB3 ASN A 6 0.554 -6.840 -16.310 1.00 63.01 H new ATOM 0 HD21 ASN A 6 -1.741 -8.276 -13.621 1.00 1.21 H new ATOM 0 HD22 ASN A 6 -0.201 -8.791 -14.318 1.00 1.21 H new ATOM 88 N ASN A 7 3.722 -6.242 -14.207 1.00 42.11 N ATOM 89 CA ASN A 7 5.027 -5.660 -14.473 1.00 13.55 C ATOM 90 C ASN A 7 4.855 -4.405 -15.331 1.00 1.31 C ATOM 91 O ASN A 7 5.737 -4.059 -16.115 1.00 65.42 O ATOM 92 CB ASN A 7 5.921 -6.637 -15.238 1.00 30.14 C ATOM 93 CG ASN A 7 7.361 -6.580 -14.724 1.00 30.12 C ATOM 94 OD1 ASN A 7 7.770 -5.358 -14.396 1.00 3.31 O flip ATOM 95 ND2 ASN A 7 8.054 -7.580 -14.631 1.00 45.12 N flip ATOM 0 H ASN A 7 3.322 -5.997 -13.301 1.00 42.11 H new ATOM 0 HA ASN A 7 5.491 -5.421 -13.516 1.00 13.55 H new ATOM 0 HB2 ASN A 7 5.533 -7.650 -15.132 1.00 30.14 H new ATOM 0 HB3 ASN A 7 5.901 -6.398 -16.301 1.00 30.14 H new ATOM 0 HD21 ASN A 7 7.677 -8.489 -14.901 1.00 45.12 H new ATOM 0 HD22 ASN A 7 9.010 -7.507 -14.284 1.00 45.12 H new ATOM 102 N ASP A 8 3.713 -3.757 -15.153 1.00 43.43 N ATOM 103 CA ASP A 8 3.415 -2.548 -15.902 1.00 13.42 C ATOM 104 C ASP A 8 3.642 -1.329 -15.005 1.00 44.35 C ATOM 105 O ASP A 8 3.946 -0.242 -15.495 1.00 13.21 O ATOM 106 CB ASP A 8 1.955 -2.531 -16.361 1.00 45.53 C ATOM 107 CG ASP A 8 0.951 -2.062 -15.307 1.00 11.22 C ATOM 108 OD1 ASP A 8 1.081 -0.895 -14.878 1.00 50.11 O ATOM 109 OD2 ASP A 8 0.076 -2.881 -14.953 1.00 75.12 O ATOM 0 H ASP A 8 2.983 -4.046 -14.501 1.00 43.43 H new ATOM 0 HA ASP A 8 4.068 -2.521 -16.774 1.00 13.42 H new ATOM 0 HB2 ASP A 8 1.872 -1.883 -17.234 1.00 45.53 H new ATOM 0 HB3 ASP A 8 1.679 -3.535 -16.682 1.00 45.53 H new ATOM 114 N GLY A 9 3.487 -1.551 -13.709 1.00 2.44 N ATOM 115 CA GLY A 9 3.672 -0.484 -12.739 1.00 41.14 C ATOM 116 C GLY A 9 2.349 0.227 -12.447 1.00 41.15 C ATOM 117 O GLY A 9 2.318 1.446 -12.288 1.00 14.33 O ATOM 0 H GLY A 9 3.235 -2.454 -13.307 1.00 2.44 H new ATOM 0 HA2 GLY A 9 4.080 -0.894 -11.815 1.00 41.14 H new ATOM 0 HA3 GLY A 9 4.399 0.234 -13.117 1.00 41.14 H new ATOM 121 N ALA A 10 1.289 -0.565 -12.387 1.00 21.43 N ATOM 122 CA ALA A 10 -0.033 -0.027 -12.117 1.00 33.01 C ATOM 123 C ALA A 10 -0.824 -1.028 -11.273 1.00 33.42 C ATOM 124 O ALA A 10 -0.673 -2.238 -11.434 1.00 62.35 O ATOM 125 CB ALA A 10 -0.731 0.301 -13.439 1.00 22.44 C ATOM 0 H ALA A 10 1.319 -1.576 -12.521 1.00 21.43 H new ATOM 0 HA ALA A 10 0.039 0.900 -11.548 1.00 33.01 H new ATOM 0 HB1 ALA A 10 -1.723 0.705 -13.236 1.00 22.44 H new ATOM 0 HB2 ALA A 10 -0.144 1.038 -13.987 1.00 22.44 H new ATOM 0 HB3 ALA A 10 -0.824 -0.606 -14.036 1.00 22.44 H new ATOM 131 N TYR A 11 -1.651 -0.487 -10.390 1.00 51.14 N ATOM 132 CA TYR A 11 -2.466 -1.318 -9.521 1.00 13.24 C ATOM 133 C TYR A 11 -3.916 -1.363 -10.006 1.00 54.34 C ATOM 134 O TYR A 11 -4.597 -0.339 -10.036 1.00 10.42 O ATOM 135 CB TYR A 11 -2.423 -0.655 -8.142 1.00 50.24 C ATOM 136 CG TYR A 11 -1.009 -0.443 -7.598 1.00 30.32 C ATOM 137 CD1 TYR A 11 -0.107 -1.488 -7.596 1.00 44.44 C ATOM 138 CD2 TYR A 11 -0.636 0.792 -7.108 1.00 22.31 C ATOM 139 CE1 TYR A 11 1.224 -1.289 -7.084 1.00 2.52 C ATOM 140 CE2 TYR A 11 0.695 0.991 -6.595 1.00 60.23 C ATOM 141 CZ TYR A 11 1.559 -0.059 -6.609 1.00 24.14 C ATOM 142 OH TYR A 11 2.816 0.129 -6.124 1.00 63.15 O ATOM 0 H TYR A 11 -1.774 0.517 -10.258 1.00 51.14 H new ATOM 0 HA TYR A 11 -2.090 -2.341 -9.506 1.00 13.24 H new ATOM 0 HB2 TYR A 11 -2.928 0.309 -8.198 1.00 50.24 H new ATOM 0 HB3 TYR A 11 -2.984 -1.269 -7.437 1.00 50.24 H new ATOM 0 HD1 TYR A 11 -0.400 -2.455 -7.978 1.00 44.44 H new ATOM 0 HD2 TYR A 11 -1.342 1.609 -7.109 1.00 22.31 H new ATOM 0 HE1 TYR A 11 1.940 -2.098 -7.077 1.00 2.52 H new ATOM 0 HE2 TYR A 11 1.000 1.952 -6.208 1.00 60.23 H new ATOM 0 HH TYR A 11 2.961 -0.460 -5.354 1.00 63.15 H new ATOM 152 N GLU A 12 -4.346 -2.560 -10.376 1.00 34.33 N ATOM 153 CA GLU A 12 -5.703 -2.752 -10.859 1.00 32.22 C ATOM 154 C GLU A 12 -6.065 -4.239 -10.848 1.00 14.32 C ATOM 155 O GLU A 12 -5.493 -5.026 -11.600 1.00 74.11 O ATOM 156 CB GLU A 12 -5.877 -2.156 -12.257 1.00 1.10 C ATOM 157 CG GLU A 12 -5.203 -3.032 -13.315 1.00 21.55 C ATOM 158 CD GLU A 12 -3.783 -3.411 -12.889 1.00 43.21 C ATOM 159 OE1 GLU A 12 -3.040 -2.483 -12.504 1.00 4.54 O ATOM 160 OE2 GLU A 12 -3.472 -4.620 -12.959 1.00 14.41 O ATOM 0 H GLU A 12 -3.778 -3.407 -10.351 1.00 34.33 H new ATOM 0 HA GLU A 12 -6.384 -2.227 -10.189 1.00 32.22 H new ATOM 0 HB2 GLU A 12 -6.938 -2.057 -12.484 1.00 1.10 H new ATOM 0 HB3 GLU A 12 -5.450 -1.153 -12.284 1.00 1.10 H new ATOM 0 HG2 GLU A 12 -5.792 -3.935 -13.474 1.00 21.55 H new ATOM 0 HG3 GLU A 12 -5.172 -2.501 -14.266 1.00 21.55 H new ATOM 167 N GLY A 13 -7.013 -4.578 -9.987 1.00 13.25 N ATOM 168 CA GLY A 13 -7.458 -5.956 -9.868 1.00 14.12 C ATOM 169 C GLY A 13 -7.004 -6.566 -8.540 1.00 60.45 C ATOM 170 O GLY A 13 -7.375 -6.084 -7.472 1.00 1.43 O ATOM 0 H GLY A 13 -7.485 -3.922 -9.365 1.00 13.25 H new ATOM 0 HA2 GLY A 13 -8.545 -5.998 -9.939 1.00 14.12 H new ATOM 0 HA3 GLY A 13 -7.061 -6.543 -10.696 1.00 14.12 H new ATOM 174 N ASP A 14 -6.207 -7.619 -8.652 1.00 73.10 N ATOM 175 CA ASP A 14 -5.698 -8.301 -7.474 1.00 53.30 C ATOM 176 C ASP A 14 -4.539 -7.495 -6.885 1.00 1.32 C ATOM 177 O ASP A 14 -4.155 -7.703 -5.735 1.00 42.30 O ATOM 178 CB ASP A 14 -5.174 -9.694 -7.827 1.00 51.13 C ATOM 179 CG ASP A 14 -4.377 -10.385 -6.719 1.00 72.21 C ATOM 180 OD1 ASP A 14 -4.789 -10.399 -5.550 1.00 35.43 O ATOM 181 OD2 ASP A 14 -3.274 -10.933 -7.102 1.00 22.23 O ATOM 0 H ASP A 14 -5.901 -8.016 -9.540 1.00 73.10 H new ATOM 0 HA ASP A 14 -6.515 -8.394 -6.759 1.00 53.30 H new ATOM 0 HB2 ASP A 14 -6.020 -10.327 -8.094 1.00 51.13 H new ATOM 0 HB3 ASP A 14 -4.543 -9.615 -8.712 1.00 51.13 H new ATOM 187 N GLU A 15 -4.014 -6.591 -7.700 1.00 21.54 N ATOM 188 CA GLU A 15 -2.906 -5.753 -7.274 1.00 32.25 C ATOM 189 C GLU A 15 -3.380 -4.737 -6.233 1.00 5.43 C ATOM 190 O GLU A 15 -2.572 -4.003 -5.665 1.00 12.24 O ATOM 191 CB GLU A 15 -2.257 -5.052 -8.469 1.00 34.51 C ATOM 192 CG GLU A 15 -1.941 -6.051 -9.584 1.00 53.24 C ATOM 193 CD GLU A 15 -1.869 -5.350 -10.943 1.00 22.33 C ATOM 194 OE1 GLU A 15 -2.083 -4.119 -10.958 1.00 45.22 O ATOM 195 OE2 GLU A 15 -1.601 -6.062 -11.935 1.00 31.12 O ATOM 0 H GLU A 15 -4.336 -6.421 -8.653 1.00 21.54 H new ATOM 0 HA GLU A 15 -2.150 -6.390 -6.815 1.00 32.25 H new ATOM 0 HB2 GLU A 15 -2.924 -4.278 -8.848 1.00 34.51 H new ATOM 0 HB3 GLU A 15 -1.341 -4.555 -8.150 1.00 34.51 H new ATOM 0 HG2 GLU A 15 -0.993 -6.546 -9.375 1.00 53.24 H new ATOM 0 HG3 GLU A 15 -2.707 -6.826 -9.611 1.00 53.24 H new ATOM 202 N LEU A 16 -4.686 -4.726 -6.014 1.00 52.13 N ATOM 203 CA LEU A 16 -5.277 -3.811 -5.052 1.00 23.42 C ATOM 204 C LEU A 16 -5.938 -4.615 -3.930 1.00 64.21 C ATOM 205 O LEU A 16 -6.903 -4.158 -3.320 1.00 22.22 O ATOM 206 CB LEU A 16 -6.226 -2.837 -5.751 1.00 40.45 C ATOM 207 CG LEU A 16 -5.583 -1.881 -6.759 1.00 32.11 C ATOM 208 CD1 LEU A 16 -6.614 -1.375 -7.769 1.00 55.32 C ATOM 209 CD2 LEU A 16 -4.868 -0.732 -6.045 1.00 62.24 C ATOM 0 H LEU A 16 -5.353 -5.337 -6.487 1.00 52.13 H new ATOM 0 HA LEU A 16 -4.506 -3.193 -4.591 1.00 23.42 H new ATOM 0 HB2 LEU A 16 -6.993 -3.415 -6.267 1.00 40.45 H new ATOM 0 HB3 LEU A 16 -6.732 -2.244 -4.989 1.00 40.45 H new ATOM 0 HG LEU A 16 -4.828 -2.432 -7.319 1.00 32.11 H new ATOM 0 HD11 LEU A 16 -6.131 -0.698 -8.474 1.00 55.32 H new ATOM 0 HD12 LEU A 16 -7.038 -2.220 -8.311 1.00 55.32 H new ATOM 0 HD13 LEU A 16 -7.409 -0.846 -7.243 1.00 55.32 H new ATOM 0 HD21 LEU A 16 -4.420 -0.067 -6.784 1.00 62.24 H new ATOM 0 HD22 LEU A 16 -5.586 -0.174 -5.443 1.00 62.24 H new ATOM 0 HD23 LEU A 16 -4.088 -1.134 -5.399 1.00 62.24 H new ATOM 221 N SER A 17 -5.391 -5.799 -3.693 1.00 14.34 N ATOM 222 CA SER A 17 -5.916 -6.670 -2.655 1.00 61.31 C ATOM 223 C SER A 17 -5.234 -6.364 -1.320 1.00 50.02 C ATOM 224 O SER A 17 -5.775 -6.669 -0.258 1.00 63.23 O ATOM 225 CB SER A 17 -5.724 -8.143 -3.024 1.00 3.33 C ATOM 226 OG SER A 17 -6.495 -9.006 -2.193 1.00 32.11 O ATOM 0 H SER A 17 -4.591 -6.175 -4.201 1.00 14.34 H new ATOM 0 HA SER A 17 -6.986 -6.483 -2.560 1.00 61.31 H new ATOM 0 HB2 SER A 17 -6.006 -8.296 -4.066 1.00 3.33 H new ATOM 0 HB3 SER A 17 -4.669 -8.404 -2.938 1.00 3.33 H new ATOM 0 HG SER A 17 -6.346 -9.937 -2.461 1.00 32.11 H new ATOM 232 N GLY A 18 -4.057 -5.764 -1.418 1.00 24.35 N ATOM 233 CA GLY A 18 -3.295 -5.413 -0.231 1.00 31.32 C ATOM 234 C GLY A 18 -1.930 -6.105 -0.231 1.00 12.42 C ATOM 235 O GLY A 18 -1.852 -7.332 -0.252 1.00 50.02 O ATOM 0 H GLY A 18 -3.612 -5.512 -2.301 1.00 24.35 H new ATOM 0 HA2 GLY A 18 -3.159 -4.332 -0.188 1.00 31.32 H new ATOM 0 HA3 GLY A 18 -3.852 -5.700 0.661 1.00 31.32 H new ATOM 239 N THR A 19 -0.888 -5.287 -0.206 1.00 52.34 N ATOM 240 CA THR A 19 0.470 -5.804 -0.203 1.00 74.13 C ATOM 241 C THR A 19 1.205 -5.364 1.064 1.00 41.11 C ATOM 242 O THR A 19 0.648 -4.644 1.891 1.00 50.41 O ATOM 243 CB THR A 19 1.153 -5.346 -1.493 1.00 2.30 C ATOM 244 OG1 THR A 19 0.093 -5.280 -2.443 1.00 64.03 O ATOM 245 CG2 THR A 19 2.099 -6.405 -2.063 1.00 3.34 C ATOM 0 H THR A 19 -0.957 -4.269 -0.188 1.00 52.34 H new ATOM 0 HA THR A 19 0.479 -6.894 -0.183 1.00 74.13 H new ATOM 0 HB THR A 19 1.709 -4.428 -1.303 1.00 2.30 H new ATOM 0 HG1 THR A 19 0.444 -5.466 -3.339 1.00 64.03 H new ATOM 0 HG21 THR A 19 2.557 -6.029 -2.978 1.00 3.34 H new ATOM 0 HG22 THR A 19 2.877 -6.629 -1.333 1.00 3.34 H new ATOM 0 HG23 THR A 19 1.538 -7.313 -2.285 1.00 3.34 H new ATOM 253 N MET A 20 2.446 -5.815 1.177 1.00 74.43 N ATOM 254 CA MET A 20 3.263 -5.477 2.329 1.00 23.12 C ATOM 255 C MET A 20 4.607 -4.887 1.894 1.00 34.54 C ATOM 256 O MET A 20 5.322 -5.488 1.095 1.00 64.15 O ATOM 257 CB MET A 20 3.505 -6.732 3.170 1.00 33.21 C ATOM 258 CG MET A 20 2.187 -7.292 3.710 1.00 21.02 C ATOM 259 SD MET A 20 2.514 -8.573 4.910 1.00 40.41 S ATOM 260 CE MET A 20 1.323 -8.133 6.165 1.00 42.11 C ATOM 0 H MET A 20 2.905 -6.412 0.489 1.00 74.43 H new ATOM 0 HA MET A 20 2.733 -4.730 2.920 1.00 23.12 H new ATOM 0 HB2 MET A 20 4.005 -7.489 2.565 1.00 33.21 H new ATOM 0 HB3 MET A 20 4.171 -6.495 4.000 1.00 33.21 H new ATOM 0 HG2 MET A 20 1.604 -6.493 4.168 1.00 21.02 H new ATOM 0 HG3 MET A 20 1.590 -7.693 2.891 1.00 21.02 H new ATOM 0 HE1 MET A 20 1.392 -8.836 6.995 1.00 42.11 H new ATOM 0 HE2 MET A 20 1.530 -7.125 6.525 1.00 42.11 H new ATOM 0 HE3 MET A 20 0.319 -8.168 5.742 1.00 42.11 H new ATOM 270 N GLU A 21 4.908 -3.719 2.441 1.00 41.34 N ATOM 271 CA GLU A 21 6.153 -3.041 2.119 1.00 33.22 C ATOM 272 C GLU A 21 7.204 -3.324 3.195 1.00 52.44 C ATOM 273 O GLU A 21 6.888 -3.356 4.383 1.00 40.30 O ATOM 274 CB GLU A 21 5.931 -1.537 1.951 1.00 13.23 C ATOM 275 CG GLU A 21 7.251 -0.772 2.064 1.00 12.33 C ATOM 276 CD GLU A 21 7.047 0.718 1.782 1.00 12.21 C ATOM 277 OE1 GLU A 21 7.834 1.321 1.037 1.00 14.53 O ATOM 278 OE2 GLU A 21 6.027 1.249 2.367 1.00 50.31 O ATOM 0 H GLU A 21 4.312 -3.225 3.105 1.00 41.34 H new ATOM 0 HA GLU A 21 6.520 -3.428 1.169 1.00 33.22 H new ATOM 0 HB2 GLU A 21 5.474 -1.339 0.981 1.00 13.23 H new ATOM 0 HB3 GLU A 21 5.234 -1.182 2.710 1.00 13.23 H new ATOM 0 HG2 GLU A 21 7.667 -0.903 3.063 1.00 12.33 H new ATOM 0 HG3 GLU A 21 7.975 -1.183 1.361 1.00 12.33 H new ATOM 286 N TYR A 22 8.432 -3.521 2.739 1.00 61.21 N ATOM 287 CA TYR A 22 9.532 -3.800 3.647 1.00 15.22 C ATOM 288 C TYR A 22 10.779 -3.004 3.258 1.00 1.15 C ATOM 289 O TYR A 22 10.998 -2.721 2.082 1.00 75.05 O ATOM 290 CB TYR A 22 9.829 -5.294 3.504 1.00 51.34 C ATOM 291 CG TYR A 22 8.595 -6.189 3.632 1.00 52.14 C ATOM 292 CD1 TYR A 22 7.839 -6.485 2.516 1.00 75.33 C ATOM 293 CD2 TYR A 22 8.238 -6.700 4.863 1.00 72.13 C ATOM 294 CE1 TYR A 22 6.677 -7.328 2.636 1.00 0.11 C ATOM 295 CE2 TYR A 22 7.076 -7.543 4.983 1.00 3.32 C ATOM 296 CZ TYR A 22 6.353 -7.815 3.864 1.00 63.01 C ATOM 297 OH TYR A 22 5.256 -8.611 3.978 1.00 43.23 O ATOM 0 H TYR A 22 8.690 -3.493 1.753 1.00 61.21 H new ATOM 0 HA TYR A 22 9.267 -3.523 4.667 1.00 15.22 H new ATOM 0 HB2 TYR A 22 10.294 -5.470 2.534 1.00 51.34 H new ATOM 0 HB3 TYR A 22 10.556 -5.584 4.263 1.00 51.34 H new ATOM 0 HD1 TYR A 22 8.119 -6.085 1.553 1.00 75.33 H new ATOM 0 HD2 TYR A 22 8.830 -6.468 5.736 1.00 72.13 H new ATOM 0 HE1 TYR A 22 6.077 -7.568 1.771 1.00 0.11 H new ATOM 0 HE2 TYR A 22 6.786 -7.950 5.940 1.00 3.32 H new ATOM 0 HH TYR A 22 4.687 -8.281 4.705 1.00 43.23 H new ATOM 307 N LYS A 23 11.565 -2.665 4.270 1.00 71.20 N ATOM 308 CA LYS A 23 12.785 -1.908 4.049 1.00 51.52 C ATOM 309 C LYS A 23 13.990 -2.843 4.166 1.00 34.32 C ATOM 310 O LYS A 23 14.252 -3.392 5.235 1.00 3.45 O ATOM 311 CB LYS A 23 12.847 -0.704 4.992 1.00 74.23 C ATOM 312 CG LYS A 23 13.568 0.473 4.332 1.00 22.21 C ATOM 313 CD LYS A 23 14.289 1.329 5.376 1.00 72.33 C ATOM 314 CE LYS A 23 14.418 2.778 4.902 1.00 65.43 C ATOM 315 NZ LYS A 23 14.825 2.823 3.479 1.00 14.02 N ATOM 0 H LYS A 23 11.380 -2.901 5.245 1.00 71.20 H new ATOM 0 HA LYS A 23 12.799 -1.495 3.040 1.00 51.52 H new ATOM 0 HB2 LYS A 23 11.837 -0.405 5.273 1.00 74.23 H new ATOM 0 HB3 LYS A 23 13.364 -0.983 5.910 1.00 74.23 H new ATOM 0 HG2 LYS A 23 14.287 0.101 3.602 1.00 22.21 H new ATOM 0 HG3 LYS A 23 12.849 1.086 3.788 1.00 22.21 H new ATOM 0 HD2 LYS A 23 13.741 1.298 6.318 1.00 72.33 H new ATOM 0 HD3 LYS A 23 15.279 0.916 5.569 1.00 72.33 H new ATOM 0 HE2 LYS A 23 13.467 3.295 5.031 1.00 65.43 H new ATOM 0 HE3 LYS A 23 15.152 3.303 5.513 1.00 65.43 H new ATOM 0 HZ1 LYS A 23 15.323 3.716 3.288 1.00 14.02 H new ATOM 0 HZ2 LYS A 23 15.458 2.024 3.273 1.00 14.02 H new ATOM 0 HZ3 LYS A 23 13.981 2.761 2.874 1.00 14.02 H new ATOM 328 N LEU A 24 14.690 -2.997 3.052 1.00 31.01 N ATOM 329 CA LEU A 24 15.861 -3.857 3.017 1.00 54.04 C ATOM 330 C LEU A 24 17.116 -3.012 3.240 1.00 0.52 C ATOM 331 O LEU A 24 17.440 -2.148 2.426 1.00 25.32 O ATOM 332 CB LEU A 24 15.889 -4.670 1.721 1.00 43.23 C ATOM 333 CG LEU A 24 17.121 -5.552 1.510 1.00 63.25 C ATOM 334 CD1 LEU A 24 18.246 -4.770 0.828 1.00 13.11 C ATOM 335 CD2 LEU A 24 17.578 -6.181 2.827 1.00 34.15 C ATOM 0 H LEU A 24 14.469 -2.541 2.167 1.00 31.01 H new ATOM 0 HA LEU A 24 15.821 -4.588 3.825 1.00 54.04 H new ATOM 0 HB2 LEU A 24 15.003 -5.305 1.694 1.00 43.23 H new ATOM 0 HB3 LEU A 24 15.812 -3.980 0.881 1.00 43.23 H new ATOM 0 HG LEU A 24 16.845 -6.368 0.842 1.00 63.25 H new ATOM 0 HD11 LEU A 24 19.110 -5.421 0.690 1.00 13.11 H new ATOM 0 HD12 LEU A 24 17.903 -4.411 -0.143 1.00 13.11 H new ATOM 0 HD13 LEU A 24 18.528 -3.920 1.450 1.00 13.11 H new ATOM 0 HD21 LEU A 24 18.455 -6.803 2.648 1.00 34.15 H new ATOM 0 HD22 LEU A 24 17.830 -5.394 3.538 1.00 34.15 H new ATOM 0 HD23 LEU A 24 16.775 -6.795 3.235 1.00 34.15 H new ATOM 347 N ILE A 25 17.788 -3.289 4.348 1.00 63.34 N ATOM 348 CA ILE A 25 19.001 -2.565 4.688 1.00 31.15 C ATOM 349 C ILE A 25 20.188 -3.530 4.670 1.00 43.22 C ATOM 350 O ILE A 25 20.160 -4.568 5.330 1.00 50.53 O ATOM 351 CB ILE A 25 18.829 -1.828 6.018 1.00 53.51 C ATOM 352 CG1 ILE A 25 17.665 -0.836 5.948 1.00 5.00 C ATOM 353 CG2 ILE A 25 20.134 -1.151 6.443 1.00 73.23 C ATOM 354 CD1 ILE A 25 16.904 -0.789 7.274 1.00 23.45 C ATOM 0 H ILE A 25 17.515 -4.005 5.022 1.00 63.34 H new ATOM 0 HA ILE A 25 19.205 -1.794 3.945 1.00 31.15 H new ATOM 0 HB ILE A 25 18.582 -2.561 6.786 1.00 53.51 H new ATOM 0 HG12 ILE A 25 18.043 0.157 5.706 1.00 5.00 H new ATOM 0 HG13 ILE A 25 16.986 -1.123 5.145 1.00 5.00 H new ATOM 0 HG21 ILE A 25 19.984 -0.635 7.391 1.00 73.23 H new ATOM 0 HG22 ILE A 25 20.913 -1.904 6.559 1.00 73.23 H new ATOM 0 HG23 ILE A 25 20.435 -0.432 5.682 1.00 73.23 H new ATOM 0 HD11 ILE A 25 16.082 -0.077 7.197 1.00 23.45 H new ATOM 0 HD12 ILE A 25 16.506 -1.778 7.501 1.00 23.45 H new ATOM 0 HD13 ILE A 25 17.580 -0.478 8.071 1.00 23.45 H new ATOM 366 N LEU A 26 21.204 -3.153 3.907 1.00 72.23 N ATOM 367 CA LEU A 26 22.399 -3.972 3.793 1.00 33.14 C ATOM 368 C LEU A 26 23.589 -3.215 4.386 1.00 51.33 C ATOM 369 O LEU A 26 24.031 -2.212 3.827 1.00 2.02 O ATOM 370 CB LEU A 26 22.610 -4.413 2.344 1.00 64.42 C ATOM 371 CG LEU A 26 21.344 -4.750 1.553 1.00 2.44 C ATOM 372 CD1 LEU A 26 20.841 -3.530 0.779 1.00 10.44 C ATOM 373 CD2 LEU A 26 21.573 -5.954 0.639 1.00 74.54 C ATOM 0 H LEU A 26 21.224 -2.291 3.362 1.00 72.23 H new ATOM 0 HA LEU A 26 22.287 -4.891 4.368 1.00 33.14 H new ATOM 0 HB2 LEU A 26 23.143 -3.621 1.818 1.00 64.42 H new ATOM 0 HB3 LEU A 26 23.259 -5.289 2.343 1.00 64.42 H new ATOM 0 HG LEU A 26 20.563 -5.027 2.260 1.00 2.44 H new ATOM 0 HD11 LEU A 26 19.941 -3.796 0.225 1.00 10.44 H new ATOM 0 HD12 LEU A 26 20.613 -2.725 1.477 1.00 10.44 H new ATOM 0 HD13 LEU A 26 21.611 -3.199 0.082 1.00 10.44 H new ATOM 0 HD21 LEU A 26 20.658 -6.172 0.089 1.00 74.54 H new ATOM 0 HD22 LEU A 26 22.375 -5.730 -0.064 1.00 74.54 H new ATOM 0 HD23 LEU A 26 21.850 -6.820 1.240 1.00 74.54 H new ATOM 385 N ASN A 27 24.073 -3.723 5.509 1.00 64.40 N ATOM 386 CA ASN A 27 25.204 -3.107 6.183 1.00 33.41 C ATOM 387 C ASN A 27 26.462 -3.937 5.921 1.00 42.01 C ATOM 388 O ASN A 27 26.673 -4.969 6.555 1.00 32.55 O ATOM 389 CB ASN A 27 24.980 -3.053 7.696 1.00 50.14 C ATOM 390 CG ASN A 27 24.487 -1.670 8.127 1.00 31.45 C ATOM 391 OD1 ASN A 27 25.041 -0.645 7.768 1.00 5.23 O ATOM 392 ND2 ASN A 27 23.417 -1.700 8.916 1.00 34.04 N ATOM 0 H ASN A 27 23.703 -4.554 5.970 1.00 64.40 H new ATOM 0 HA ASN A 27 25.315 -2.093 5.798 1.00 33.41 H new ATOM 0 HB2 ASN A 27 24.252 -3.810 7.987 1.00 50.14 H new ATOM 0 HB3 ASN A 27 25.910 -3.290 8.214 1.00 50.14 H new ATOM 0 HD21 ASN A 27 23.011 -0.829 9.258 1.00 34.04 H new ATOM 0 HD22 ASN A 27 23.002 -2.594 9.179 1.00 34.04 H new ATOM 399 N GLY A 28 27.266 -3.454 4.985 1.00 61.32 N ATOM 400 CA GLY A 28 28.498 -4.138 4.631 1.00 62.41 C ATOM 401 C GLY A 28 29.666 -3.154 4.543 1.00 2.11 C ATOM 402 O GLY A 28 29.464 -1.965 4.301 1.00 72.11 O ATOM 0 H GLY A 28 27.088 -2.597 4.461 1.00 61.32 H new ATOM 0 HA2 GLY A 28 28.719 -4.904 5.374 1.00 62.41 H new ATOM 0 HA3 GLY A 28 28.374 -4.647 3.675 1.00 62.41 H new ATOM 406 N LYS A 29 30.863 -3.686 4.745 1.00 51.52 N ATOM 407 CA LYS A 29 32.063 -2.869 4.691 1.00 4.45 C ATOM 408 C LYS A 29 32.347 -2.481 3.239 1.00 41.12 C ATOM 409 O LYS A 29 32.802 -1.371 2.966 1.00 21.13 O ATOM 410 CB LYS A 29 33.229 -3.584 5.376 1.00 65.50 C ATOM 411 CG LYS A 29 32.800 -4.166 6.725 1.00 44.42 C ATOM 412 CD LYS A 29 32.231 -3.076 7.635 1.00 3.43 C ATOM 413 CE LYS A 29 30.711 -3.202 7.758 1.00 45.13 C ATOM 414 NZ LYS A 29 30.042 -2.059 7.098 1.00 14.20 N ATOM 0 H LYS A 29 31.027 -4.672 4.946 1.00 51.52 H new ATOM 0 HA LYS A 29 31.917 -1.942 5.246 1.00 4.45 H new ATOM 0 HB2 LYS A 29 33.599 -4.382 4.733 1.00 65.50 H new ATOM 0 HB3 LYS A 29 34.053 -2.885 5.523 1.00 65.50 H new ATOM 0 HG2 LYS A 29 32.051 -4.942 6.569 1.00 44.42 H new ATOM 0 HG3 LYS A 29 33.654 -4.640 7.209 1.00 44.42 H new ATOM 0 HD2 LYS A 29 32.686 -3.148 8.623 1.00 3.43 H new ATOM 0 HD3 LYS A 29 32.487 -2.094 7.236 1.00 3.43 H new ATOM 0 HE2 LYS A 29 30.380 -4.136 7.305 1.00 45.13 H new ATOM 0 HE3 LYS A 29 30.427 -3.240 8.810 1.00 45.13 H new ATOM 0 HZ1 LYS A 29 29.094 -2.347 6.781 1.00 14.20 H new ATOM 0 HZ2 LYS A 29 29.957 -1.271 7.771 1.00 14.20 H new ATOM 0 HZ3 LYS A 29 30.604 -1.755 6.277 1.00 14.20 H new ATOM 427 N THR A 30 32.067 -3.417 2.344 1.00 34.35 N ATOM 428 CA THR A 30 32.286 -3.188 0.927 1.00 51.45 C ATOM 429 C THR A 30 30.963 -2.870 0.227 1.00 50.11 C ATOM 430 O THR A 30 30.951 -2.235 -0.826 1.00 55.24 O ATOM 431 CB THR A 30 32.997 -4.415 0.353 1.00 1.13 C ATOM 432 OG1 THR A 30 33.334 -4.031 -0.977 1.00 73.31 O ATOM 433 CG2 THR A 30 32.054 -5.606 0.170 1.00 1.13 C ATOM 0 H THR A 30 31.690 -4.336 2.574 1.00 34.35 H new ATOM 0 HA THR A 30 32.923 -2.319 0.761 1.00 51.45 H new ATOM 0 HB THR A 30 33.817 -4.700 1.012 1.00 1.13 H new ATOM 0 HG1 THR A 30 33.800 -4.769 -1.422 1.00 73.31 H new ATOM 0 HG21 THR A 30 32.609 -6.450 -0.240 1.00 1.13 H new ATOM 0 HG22 THR A 30 31.629 -5.885 1.134 1.00 1.13 H new ATOM 0 HG23 THR A 30 31.251 -5.333 -0.515 1.00 1.13 H new ATOM 441 N LEU A 31 29.881 -3.326 0.841 1.00 63.53 N ATOM 442 CA LEU A 31 28.556 -3.099 0.290 1.00 40.10 C ATOM 443 C LEU A 31 27.638 -2.557 1.388 1.00 63.21 C ATOM 444 O LEU A 31 27.204 -3.304 2.263 1.00 33.21 O ATOM 445 CB LEU A 31 28.029 -4.369 -0.381 1.00 22.23 C ATOM 446 CG LEU A 31 27.184 -4.162 -1.639 1.00 51.01 C ATOM 447 CD1 LEU A 31 25.865 -3.462 -1.305 1.00 21.33 C ATOM 448 CD2 LEU A 31 27.974 -3.412 -2.713 1.00 63.02 C ATOM 0 H LEU A 31 29.895 -3.852 1.715 1.00 63.53 H new ATOM 0 HA LEU A 31 28.595 -2.344 -0.496 1.00 40.10 H new ATOM 0 HB2 LEU A 31 28.880 -5.000 -0.639 1.00 22.23 H new ATOM 0 HB3 LEU A 31 27.433 -4.920 0.346 1.00 22.23 H new ATOM 0 HG LEU A 31 26.935 -5.141 -2.047 1.00 51.01 H new ATOM 0 HD11 LEU A 31 25.284 -3.327 -2.217 1.00 21.33 H new ATOM 0 HD12 LEU A 31 25.298 -4.071 -0.600 1.00 21.33 H new ATOM 0 HD13 LEU A 31 26.072 -2.489 -0.860 1.00 21.33 H new ATOM 0 HD21 LEU A 31 27.350 -3.278 -3.597 1.00 63.02 H new ATOM 0 HD22 LEU A 31 28.274 -2.437 -2.330 1.00 63.02 H new ATOM 0 HD23 LEU A 31 28.862 -3.986 -2.979 1.00 63.02 H new ATOM 460 N LYS A 32 27.371 -1.262 1.305 1.00 33.25 N ATOM 461 CA LYS A 32 26.513 -0.612 2.281 1.00 14.22 C ATOM 462 C LYS A 32 25.504 0.279 1.553 1.00 1.33 C ATOM 463 O LYS A 32 25.889 1.159 0.784 1.00 22.24 O ATOM 464 CB LYS A 32 27.352 0.132 3.322 1.00 42.14 C ATOM 465 CG LYS A 32 28.657 0.645 2.708 1.00 20.55 C ATOM 466 CD LYS A 32 29.567 1.247 3.781 1.00 41.03 C ATOM 467 CE LYS A 32 31.041 1.056 3.419 1.00 44.01 C ATOM 468 NZ LYS A 32 31.882 1.084 4.637 1.00 73.11 N ATOM 0 H LYS A 32 27.733 -0.646 0.578 1.00 33.25 H new ATOM 0 HA LYS A 32 25.941 -1.353 2.839 1.00 14.22 H new ATOM 0 HB2 LYS A 32 26.781 0.969 3.724 1.00 42.14 H new ATOM 0 HB3 LYS A 32 27.575 -0.532 4.157 1.00 42.14 H new ATOM 0 HG2 LYS A 32 29.173 -0.173 2.205 1.00 20.55 H new ATOM 0 HG3 LYS A 32 28.436 1.396 1.950 1.00 20.55 H new ATOM 0 HD2 LYS A 32 29.351 2.310 3.892 1.00 41.03 H new ATOM 0 HD3 LYS A 32 29.361 0.777 4.743 1.00 41.03 H new ATOM 0 HE2 LYS A 32 31.174 0.107 2.900 1.00 44.01 H new ATOM 0 HE3 LYS A 32 31.358 1.842 2.733 1.00 44.01 H new ATOM 0 HZ1 LYS A 32 32.399 1.986 4.682 1.00 73.11 H new ATOM 0 HZ2 LYS A 32 31.278 0.989 5.478 1.00 73.11 H new ATOM 0 HZ3 LYS A 32 32.561 0.297 4.608 1.00 73.11 H new ATOM 481 N GLY A 33 24.233 0.021 1.822 1.00 73.15 N ATOM 482 CA GLY A 33 23.166 0.789 1.202 1.00 60.33 C ATOM 483 C GLY A 33 21.811 0.444 1.822 1.00 15.32 C ATOM 484 O GLY A 33 21.746 -0.253 2.833 1.00 31.14 O ATOM 0 H GLY A 33 23.918 -0.709 2.461 1.00 73.15 H new ATOM 0 HA2 GLY A 33 23.364 1.854 1.321 1.00 60.33 H new ATOM 0 HA3 GLY A 33 23.142 0.587 0.131 1.00 60.33 H new ATOM 488 N GLU A 34 20.761 0.949 1.190 1.00 1.15 N ATOM 489 CA GLU A 34 19.411 0.704 1.668 1.00 72.41 C ATOM 490 C GLU A 34 18.447 0.569 0.487 1.00 13.05 C ATOM 491 O GLU A 34 18.806 0.871 -0.649 1.00 51.15 O ATOM 492 CB GLU A 34 18.957 1.810 2.623 1.00 63.42 C ATOM 493 CG GLU A 34 19.483 1.561 4.038 1.00 14.42 C ATOM 494 CD GLU A 34 18.696 2.378 5.066 1.00 43.12 C ATOM 495 OE1 GLU A 34 17.679 2.997 4.719 1.00 61.40 O ATOM 496 OE2 GLU A 34 19.176 2.355 6.263 1.00 21.11 O ATOM 0 H GLU A 34 20.818 1.527 0.351 1.00 1.15 H new ATOM 0 HA GLU A 34 19.408 -0.233 2.224 1.00 72.41 H new ATOM 0 HB2 GLU A 34 19.313 2.775 2.263 1.00 63.42 H new ATOM 0 HB3 GLU A 34 17.868 1.858 2.639 1.00 63.42 H new ATOM 0 HG2 GLU A 34 19.408 0.500 4.277 1.00 14.42 H new ATOM 0 HG3 GLU A 34 20.539 1.825 4.089 1.00 14.42 H new ATOM 504 N THR A 35 17.241 0.115 0.798 1.00 43.31 N ATOM 505 CA THR A 35 16.223 -0.063 -0.223 1.00 72.00 C ATOM 506 C THR A 35 14.930 -0.592 0.400 1.00 15.44 C ATOM 507 O THR A 35 14.896 -0.918 1.586 1.00 52.21 O ATOM 508 CB THR A 35 16.795 -0.980 -1.306 1.00 35.20 C ATOM 509 OG1 THR A 35 15.646 -1.442 -2.011 1.00 71.44 O ATOM 510 CG2 THR A 35 17.414 -2.254 -0.727 1.00 71.14 C ATOM 0 H THR A 35 16.947 -0.135 1.742 1.00 43.31 H new ATOM 0 HA THR A 35 15.958 0.887 -0.687 1.00 72.00 H new ATOM 0 HB THR A 35 17.548 -0.439 -1.880 1.00 35.20 H new ATOM 0 HG1 THR A 35 15.929 -1.971 -2.786 1.00 71.44 H new ATOM 0 HG21 THR A 35 17.805 -2.869 -1.537 1.00 71.14 H new ATOM 0 HG22 THR A 35 18.225 -1.989 -0.049 1.00 71.14 H new ATOM 0 HG23 THR A 35 16.653 -2.813 -0.182 1.00 71.14 H new ATOM 518 N THR A 36 13.897 -0.660 -0.426 1.00 55.34 N ATOM 519 CA THR A 36 12.604 -1.143 0.029 1.00 61.11 C ATOM 520 C THR A 36 11.904 -1.923 -1.086 1.00 13.15 C ATOM 521 O THR A 36 12.099 -1.637 -2.266 1.00 13.53 O ATOM 522 CB THR A 36 11.799 0.058 0.528 1.00 2.43 C ATOM 523 OG1 THR A 36 11.357 0.700 -0.665 1.00 11.03 O ATOM 524 CG2 THR A 36 12.677 1.108 1.212 1.00 3.13 C ATOM 0 H THR A 36 13.929 -0.389 -1.409 1.00 55.34 H new ATOM 0 HA THR A 36 12.713 -1.845 0.856 1.00 61.11 H new ATOM 0 HB THR A 36 11.032 -0.283 1.223 1.00 2.43 H new ATOM 0 HG1 THR A 36 10.825 1.490 -0.434 1.00 11.03 H new ATOM 0 HG21 THR A 36 12.056 1.939 1.547 1.00 3.13 H new ATOM 0 HG22 THR A 36 13.178 0.660 2.070 1.00 3.13 H new ATOM 0 HG23 THR A 36 13.423 1.474 0.507 1.00 3.13 H new ATOM 532 N THR A 37 11.102 -2.893 -0.671 1.00 65.53 N ATOM 533 CA THR A 37 10.372 -3.717 -1.620 1.00 11.21 C ATOM 534 C THR A 37 9.014 -4.120 -1.041 1.00 63.11 C ATOM 535 O THR A 37 8.872 -4.269 0.172 1.00 52.44 O ATOM 536 CB THR A 37 11.255 -4.911 -1.987 1.00 73.14 C ATOM 537 OG1 THR A 37 10.561 -5.538 -3.063 1.00 13.05 O ATOM 538 CG2 THR A 37 11.284 -5.977 -0.891 1.00 32.45 C ATOM 0 H THR A 37 10.942 -3.127 0.309 1.00 65.53 H new ATOM 0 HA THR A 37 10.150 -3.166 -2.534 1.00 11.21 H new ATOM 0 HB THR A 37 12.270 -4.565 -2.183 1.00 73.14 H new ATOM 0 HG1 THR A 37 10.747 -6.500 -3.055 1.00 13.05 H new ATOM 0 HG21 THR A 37 11.925 -6.802 -1.203 1.00 32.45 H new ATOM 0 HG22 THR A 37 11.674 -5.542 0.029 1.00 32.45 H new ATOM 0 HG23 THR A 37 10.274 -6.348 -0.717 1.00 32.45 H new ATOM 546 N CYS A 38 8.051 -4.286 -1.936 1.00 2.23 N ATOM 547 CA CYS A 38 6.710 -4.669 -1.529 1.00 71.01 C ATOM 548 C CYS A 38 6.437 -6.083 -2.046 1.00 54.33 C ATOM 549 O CYS A 38 6.854 -6.436 -3.148 1.00 55.34 O ATOM 550 CB CYS A 38 5.662 -3.669 -2.021 1.00 41.34 C ATOM 551 SG CYS A 38 5.947 -1.939 -1.497 1.00 13.21 S ATOM 0 H CYS A 38 8.173 -4.162 -2.941 1.00 2.23 H new ATOM 0 HA CYS A 38 6.641 -4.661 -0.441 1.00 71.01 H new ATOM 0 HB2 CYS A 38 5.630 -3.703 -3.110 1.00 41.34 H new ATOM 0 HB3 CYS A 38 4.682 -3.985 -1.663 1.00 41.34 H new ATOM 556 N ALA A 39 5.738 -6.854 -1.226 1.00 51.21 N ATOM 557 CA ALA A 39 5.404 -8.221 -1.587 1.00 21.11 C ATOM 558 C ALA A 39 4.048 -8.588 -0.980 1.00 43.40 C ATOM 559 O ALA A 39 3.636 -8.007 0.023 1.00 72.11 O ATOM 560 CB ALA A 39 6.522 -9.158 -1.126 1.00 31.44 C ATOM 0 H ALA A 39 5.394 -6.558 -0.313 1.00 51.21 H new ATOM 0 HA ALA A 39 5.319 -8.322 -2.669 1.00 21.11 H new ATOM 0 HB1 ALA A 39 6.272 -10.184 -1.397 1.00 31.44 H new ATOM 0 HB2 ALA A 39 7.457 -8.873 -1.608 1.00 31.44 H new ATOM 0 HB3 ALA A 39 6.635 -9.085 -0.044 1.00 31.44 H new ATOM 566 N VAL A 40 3.393 -9.549 -1.614 1.00 13.14 N ATOM 567 CA VAL A 40 2.092 -10.000 -1.149 1.00 11.33 C ATOM 568 C VAL A 40 2.255 -10.719 0.192 1.00 44.41 C ATOM 569 O VAL A 40 1.410 -10.590 1.076 1.00 23.14 O ATOM 570 CB VAL A 40 1.427 -10.870 -2.217 1.00 23.51 C ATOM 571 CG1 VAL A 40 1.786 -12.345 -2.023 1.00 62.14 C ATOM 572 CG2 VAL A 40 -0.090 -10.671 -2.221 1.00 23.22 C ATOM 0 H VAL A 40 3.738 -10.028 -2.446 1.00 13.14 H new ATOM 0 HA VAL A 40 1.430 -9.150 -0.983 1.00 11.33 H new ATOM 0 HB VAL A 40 1.808 -10.557 -3.189 1.00 23.51 H new ATOM 0 HG11 VAL A 40 1.301 -12.942 -2.795 1.00 62.14 H new ATOM 0 HG12 VAL A 40 2.867 -12.469 -2.094 1.00 62.14 H new ATOM 0 HG13 VAL A 40 1.447 -12.676 -1.041 1.00 62.14 H new ATOM 0 HG21 VAL A 40 -0.538 -11.301 -2.990 1.00 23.22 H new ATOM 0 HG22 VAL A 40 -0.495 -10.944 -1.247 1.00 23.22 H new ATOM 0 HG23 VAL A 40 -0.319 -9.626 -2.430 1.00 23.22 H new ATOM 582 N ASP A 41 3.348 -11.460 0.300 1.00 2.22 N ATOM 583 CA ASP A 41 3.633 -12.199 1.518 1.00 23.31 C ATOM 584 C ASP A 41 5.105 -12.012 1.890 1.00 25.15 C ATOM 585 O ASP A 41 5.967 -11.942 1.015 1.00 12.02 O ATOM 586 CB ASP A 41 3.381 -13.696 1.325 1.00 1.15 C ATOM 587 CG ASP A 41 1.933 -14.072 1.005 1.00 50.41 C ATOM 588 OD1 ASP A 41 1.010 -13.777 1.779 1.00 24.23 O ATOM 589 OD2 ASP A 41 1.767 -14.702 -0.108 1.00 50.14 O ATOM 0 H ASP A 41 4.047 -11.564 -0.436 1.00 2.22 H new ATOM 0 HA ASP A 41 2.978 -11.821 2.303 1.00 23.31 H new ATOM 0 HB2 ASP A 41 4.021 -14.056 0.519 1.00 1.15 H new ATOM 0 HB3 ASP A 41 3.685 -14.220 2.231 1.00 1.15 H new ATOM 595 N ALA A 42 5.349 -11.936 3.191 1.00 71.54 N ATOM 596 CA ALA A 42 6.702 -11.759 3.690 1.00 50.24 C ATOM 597 C ALA A 42 7.584 -12.899 3.177 1.00 33.43 C ATOM 598 O ALA A 42 8.806 -12.772 3.135 1.00 64.35 O ATOM 599 CB ALA A 42 6.677 -11.682 5.217 1.00 31.35 C ATOM 0 H ALA A 42 4.632 -11.994 3.914 1.00 71.54 H new ATOM 0 HA ALA A 42 7.127 -10.824 3.324 1.00 50.24 H new ATOM 0 HB1 ALA A 42 7.692 -11.549 5.591 1.00 31.35 H new ATOM 0 HB2 ALA A 42 6.062 -10.838 5.529 1.00 31.35 H new ATOM 0 HB3 ALA A 42 6.259 -12.604 5.621 1.00 31.35 H new ATOM 605 N ALA A 43 6.929 -13.988 2.801 1.00 13.05 N ATOM 606 CA ALA A 43 7.638 -15.150 2.294 1.00 71.22 C ATOM 607 C ALA A 43 8.275 -14.805 0.946 1.00 4.15 C ATOM 608 O ALA A 43 9.427 -15.155 0.692 1.00 33.45 O ATOM 609 CB ALA A 43 6.674 -16.334 2.196 1.00 32.33 C ATOM 0 H ALA A 43 5.915 -14.090 2.838 1.00 13.05 H new ATOM 0 HA ALA A 43 8.440 -15.437 2.974 1.00 71.22 H new ATOM 0 HB1 ALA A 43 7.206 -17.206 1.816 1.00 32.33 H new ATOM 0 HB2 ALA A 43 6.271 -16.557 3.184 1.00 32.33 H new ATOM 0 HB3 ALA A 43 5.857 -16.083 1.519 1.00 32.33 H new ATOM 615 N THR A 44 7.499 -14.122 0.118 1.00 11.13 N ATOM 616 CA THR A 44 7.973 -13.725 -1.197 1.00 22.33 C ATOM 617 C THR A 44 9.015 -12.611 -1.074 1.00 72.43 C ATOM 618 O THR A 44 10.039 -12.636 -1.756 1.00 34.34 O ATOM 619 CB THR A 44 6.758 -13.331 -2.039 1.00 20.15 C ATOM 620 OG1 THR A 44 6.188 -14.577 -2.430 1.00 30.00 O ATOM 621 CG2 THR A 44 7.151 -12.670 -3.361 1.00 5.51 C ATOM 0 H THR A 44 6.545 -13.833 0.332 1.00 11.13 H new ATOM 0 HA THR A 44 8.481 -14.548 -1.700 1.00 22.33 H new ATOM 0 HB THR A 44 6.126 -12.651 -1.468 1.00 20.15 H new ATOM 0 HG1 THR A 44 5.392 -14.415 -2.979 1.00 30.00 H new ATOM 0 HG21 THR A 44 6.252 -12.410 -3.919 1.00 5.51 H new ATOM 0 HG22 THR A 44 7.726 -11.766 -3.159 1.00 5.51 H new ATOM 0 HG23 THR A 44 7.756 -13.361 -3.948 1.00 5.51 H new ATOM 629 N ALA A 45 8.718 -11.660 -0.201 1.00 35.51 N ATOM 630 CA ALA A 45 9.615 -10.540 0.020 1.00 45.44 C ATOM 631 C ALA A 45 10.923 -11.051 0.628 1.00 32.10 C ATOM 632 O ALA A 45 11.999 -10.548 0.308 1.00 30.51 O ATOM 633 CB ALA A 45 8.927 -9.500 0.907 1.00 72.44 C ATOM 0 H ALA A 45 7.868 -11.643 0.362 1.00 35.51 H new ATOM 0 HA ALA A 45 9.858 -10.053 -0.924 1.00 45.44 H new ATOM 0 HB1 ALA A 45 9.601 -8.660 1.072 1.00 72.44 H new ATOM 0 HB2 ALA A 45 8.020 -9.147 0.417 1.00 72.44 H new ATOM 0 HB3 ALA A 45 8.669 -9.952 1.865 1.00 72.44 H new ATOM 639 N GLU A 46 10.786 -12.044 1.494 1.00 23.14 N ATOM 640 CA GLU A 46 11.943 -12.629 2.151 1.00 63.14 C ATOM 641 C GLU A 46 12.931 -13.161 1.110 1.00 2.32 C ATOM 642 O GLU A 46 14.142 -13.011 1.265 1.00 2.15 O ATOM 643 CB GLU A 46 11.523 -13.734 3.122 1.00 55.13 C ATOM 644 CG GLU A 46 12.739 -14.333 3.831 1.00 14.45 C ATOM 645 CD GLU A 46 13.039 -13.583 5.131 1.00 10.10 C ATOM 646 OE1 GLU A 46 12.699 -12.397 5.255 1.00 11.04 O ATOM 647 OE2 GLU A 46 13.648 -14.277 6.032 1.00 13.43 O ATOM 0 H GLU A 46 9.892 -12.458 1.756 1.00 23.14 H new ATOM 0 HA GLU A 46 12.439 -11.851 2.731 1.00 63.14 H new ATOM 0 HB2 GLU A 46 10.830 -13.330 3.860 1.00 55.13 H new ATOM 0 HB3 GLU A 46 10.992 -14.516 2.580 1.00 55.13 H new ATOM 0 HG2 GLU A 46 12.556 -15.385 4.048 1.00 14.45 H new ATOM 0 HG3 GLU A 46 13.607 -14.289 3.173 1.00 14.45 H new ATOM 655 N LYS A 47 12.377 -13.771 0.073 1.00 45.34 N ATOM 656 CA LYS A 47 13.195 -14.325 -0.993 1.00 72.32 C ATOM 657 C LYS A 47 13.901 -13.188 -1.733 1.00 4.52 C ATOM 658 O LYS A 47 15.055 -13.327 -2.137 1.00 74.23 O ATOM 659 CB LYS A 47 12.352 -15.221 -1.904 1.00 3.13 C ATOM 660 CG LYS A 47 11.584 -16.263 -1.089 1.00 33.13 C ATOM 661 CD LYS A 47 10.294 -16.674 -1.801 1.00 53.03 C ATOM 662 CE LYS A 47 10.550 -17.822 -2.779 1.00 75.44 C ATOM 663 NZ LYS A 47 10.952 -17.296 -4.103 1.00 34.01 N ATOM 0 H LYS A 47 11.372 -13.894 -0.052 1.00 45.34 H new ATOM 0 HA LYS A 47 13.972 -14.968 -0.581 1.00 72.32 H new ATOM 0 HB2 LYS A 47 11.651 -14.610 -2.473 1.00 3.13 H new ATOM 0 HB3 LYS A 47 12.997 -15.722 -2.626 1.00 3.13 H new ATOM 0 HG2 LYS A 47 12.211 -17.140 -0.930 1.00 33.13 H new ATOM 0 HG3 LYS A 47 11.347 -15.858 -0.105 1.00 33.13 H new ATOM 0 HD2 LYS A 47 9.549 -16.977 -1.065 1.00 53.03 H new ATOM 0 HD3 LYS A 47 9.882 -15.819 -2.338 1.00 53.03 H new ATOM 0 HE2 LYS A 47 11.331 -18.473 -2.388 1.00 75.44 H new ATOM 0 HE3 LYS A 47 9.650 -18.429 -2.880 1.00 75.44 H new ATOM 0 HZ1 LYS A 47 10.554 -17.899 -4.851 1.00 34.01 H new ATOM 0 HZ2 LYS A 47 10.595 -16.326 -4.214 1.00 34.01 H new ATOM 0 HZ3 LYS A 47 11.989 -17.293 -4.175 1.00 34.01 H new ATOM 676 N VAL A 48 13.180 -12.087 -1.887 1.00 41.11 N ATOM 677 CA VAL A 48 13.724 -10.926 -2.571 1.00 14.31 C ATOM 678 C VAL A 48 14.847 -10.321 -1.726 1.00 53.00 C ATOM 679 O VAL A 48 15.878 -9.913 -2.258 1.00 52.22 O ATOM 680 CB VAL A 48 12.605 -9.929 -2.880 1.00 14.15 C ATOM 681 CG1 VAL A 48 13.177 -8.594 -3.360 1.00 12.22 C ATOM 682 CG2 VAL A 48 11.624 -10.505 -3.903 1.00 31.22 C ATOM 0 H VAL A 48 12.224 -11.974 -1.550 1.00 41.11 H new ATOM 0 HA VAL A 48 14.157 -11.215 -3.528 1.00 14.31 H new ATOM 0 HB VAL A 48 12.056 -9.745 -1.956 1.00 14.15 H new ATOM 0 HG11 VAL A 48 12.361 -7.904 -3.573 1.00 12.22 H new ATOM 0 HG12 VAL A 48 13.816 -8.172 -2.584 1.00 12.22 H new ATOM 0 HG13 VAL A 48 13.762 -8.754 -4.266 1.00 12.22 H new ATOM 0 HG21 VAL A 48 10.839 -9.776 -4.105 1.00 31.22 H new ATOM 0 HG22 VAL A 48 12.154 -10.732 -4.828 1.00 31.22 H new ATOM 0 HG23 VAL A 48 11.179 -11.418 -3.506 1.00 31.22 H new ATOM 692 N PHE A 49 14.609 -10.283 -0.423 1.00 53.42 N ATOM 693 CA PHE A 49 15.587 -9.735 0.501 1.00 43.55 C ATOM 694 C PHE A 49 16.824 -10.631 0.584 1.00 23.14 C ATOM 695 O PHE A 49 17.951 -10.139 0.622 1.00 11.40 O ATOM 696 CB PHE A 49 14.920 -9.676 1.876 1.00 22.11 C ATOM 697 CG PHE A 49 15.907 -9.602 3.043 1.00 14.44 C ATOM 698 CD1 PHE A 49 17.094 -8.956 2.890 1.00 14.44 C ATOM 699 CD2 PHE A 49 15.596 -10.181 4.234 1.00 65.42 C ATOM 700 CE1 PHE A 49 18.009 -8.887 3.974 1.00 41.44 C ATOM 701 CE2 PHE A 49 16.512 -10.112 5.317 1.00 30.41 C ATOM 702 CZ PHE A 49 17.699 -9.466 5.164 1.00 20.41 C ATOM 0 H PHE A 49 13.753 -10.623 0.015 1.00 53.42 H new ATOM 0 HA PHE A 49 15.907 -8.750 0.163 1.00 43.55 H new ATOM 0 HB2 PHE A 49 14.263 -8.807 1.913 1.00 22.11 H new ATOM 0 HB3 PHE A 49 14.290 -10.557 2.001 1.00 22.11 H new ATOM 0 HD1 PHE A 49 17.341 -8.496 1.945 1.00 14.44 H new ATOM 0 HD2 PHE A 49 14.653 -10.693 4.356 1.00 65.42 H new ATOM 0 HE1 PHE A 49 18.952 -8.374 3.853 1.00 41.44 H new ATOM 0 HE2 PHE A 49 16.266 -10.573 6.262 1.00 30.41 H new ATOM 0 HZ PHE A 49 18.395 -9.413 5.988 1.00 20.41 H new ATOM 712 N LYS A 50 16.573 -11.932 0.611 1.00 14.42 N ATOM 713 CA LYS A 50 17.652 -12.901 0.690 1.00 72.30 C ATOM 714 C LYS A 50 18.458 -12.867 -0.610 1.00 3.03 C ATOM 715 O LYS A 50 19.677 -13.032 -0.593 1.00 20.53 O ATOM 716 CB LYS A 50 17.103 -14.287 1.037 1.00 51.23 C ATOM 717 CG LYS A 50 16.281 -14.244 2.327 1.00 40.14 C ATOM 718 CD LYS A 50 17.105 -14.737 3.518 1.00 14.41 C ATOM 719 CE LYS A 50 16.384 -14.452 4.838 1.00 64.04 C ATOM 720 NZ LYS A 50 15.783 -15.692 5.378 1.00 51.24 N ATOM 0 H LYS A 50 15.637 -12.337 0.580 1.00 14.42 H new ATOM 0 HA LYS A 50 18.337 -12.643 1.498 1.00 72.30 H new ATOM 0 HB2 LYS A 50 16.483 -14.652 0.218 1.00 51.23 H new ATOM 0 HB3 LYS A 50 17.928 -14.991 1.150 1.00 51.23 H new ATOM 0 HG2 LYS A 50 15.941 -13.225 2.512 1.00 40.14 H new ATOM 0 HG3 LYS A 50 15.390 -14.862 2.216 1.00 40.14 H new ATOM 0 HD2 LYS A 50 17.286 -15.808 3.422 1.00 14.41 H new ATOM 0 HD3 LYS A 50 18.079 -14.248 3.518 1.00 14.41 H new ATOM 0 HE2 LYS A 50 17.086 -14.037 5.561 1.00 64.04 H new ATOM 0 HE3 LYS A 50 15.608 -13.703 4.681 1.00 64.04 H new ATOM 0 HZ1 LYS A 50 14.847 -15.479 5.777 1.00 51.24 H new ATOM 0 HZ2 LYS A 50 15.683 -16.390 4.614 1.00 51.24 H new ATOM 0 HZ3 LYS A 50 16.397 -16.079 6.123 1.00 51.24 H new ATOM 733 N GLN A 51 17.746 -12.651 -1.705 1.00 75.04 N ATOM 734 CA GLN A 51 18.380 -12.593 -3.011 1.00 52.25 C ATOM 735 C GLN A 51 19.153 -11.282 -3.168 1.00 53.33 C ATOM 736 O GLN A 51 20.120 -11.214 -3.925 1.00 23.13 O ATOM 737 CB GLN A 51 17.349 -12.758 -4.130 1.00 33.54 C ATOM 738 CG GLN A 51 18.004 -13.294 -5.404 1.00 75.43 C ATOM 739 CD GLN A 51 17.968 -14.824 -5.438 1.00 12.32 C ATOM 740 OE1 GLN A 51 18.951 -15.403 -4.754 1.00 70.12 O flip ATOM 741 NE2 GLN A 51 17.105 -15.437 -6.044 1.00 52.12 N flip ATOM 0 H GLN A 51 16.735 -12.514 -1.715 1.00 75.04 H new ATOM 0 HA GLN A 51 19.086 -13.420 -3.087 1.00 52.25 H new ATOM 0 HB2 GLN A 51 16.562 -13.440 -3.807 1.00 33.54 H new ATOM 0 HB3 GLN A 51 16.875 -11.799 -4.337 1.00 33.54 H new ATOM 0 HG2 GLN A 51 17.488 -12.895 -6.278 1.00 75.43 H new ATOM 0 HG3 GLN A 51 19.037 -12.950 -5.459 1.00 75.43 H new ATOM 0 HE21 GLN A 51 16.378 -14.930 -6.549 1.00 52.12 H new ATOM 0 HE22 GLN A 51 17.110 -16.457 -6.046 1.00 52.12 H new ATOM 750 N TYR A 52 18.697 -10.272 -2.441 1.00 73.51 N ATOM 751 CA TYR A 52 19.333 -8.967 -2.490 1.00 23.20 C ATOM 752 C TYR A 52 20.698 -8.996 -1.799 1.00 20.51 C ATOM 753 O TYR A 52 21.701 -8.587 -2.381 1.00 24.40 O ATOM 754 CB TYR A 52 18.408 -8.018 -1.726 1.00 22.03 C ATOM 755 CG TYR A 52 18.260 -6.639 -2.372 1.00 73.31 C ATOM 756 CD1 TYR A 52 19.199 -5.658 -2.129 1.00 24.14 C ATOM 757 CD2 TYR A 52 17.186 -6.377 -3.199 1.00 2.34 C ATOM 758 CE1 TYR A 52 19.060 -4.360 -2.737 1.00 34.51 C ATOM 759 CE2 TYR A 52 17.046 -5.079 -3.807 1.00 24.00 C ATOM 760 CZ TYR A 52 17.990 -4.135 -3.546 1.00 41.01 C ATOM 761 OH TYR A 52 17.858 -2.909 -4.121 1.00 21.43 O ATOM 0 H TYR A 52 17.894 -10.332 -1.815 1.00 73.51 H new ATOM 0 HA TYR A 52 19.491 -8.656 -3.523 1.00 23.20 H new ATOM 0 HB2 TYR A 52 17.423 -8.476 -1.643 1.00 22.03 H new ATOM 0 HB3 TYR A 52 18.789 -7.894 -0.712 1.00 22.03 H new ATOM 0 HD1 TYR A 52 20.039 -5.864 -1.482 1.00 24.14 H new ATOM 0 HD2 TYR A 52 16.451 -7.145 -3.390 1.00 2.34 H new ATOM 0 HE1 TYR A 52 19.788 -3.583 -2.555 1.00 34.51 H new ATOM 0 HE2 TYR A 52 16.211 -4.860 -4.455 1.00 24.00 H new ATOM 0 HH TYR A 52 17.049 -2.892 -4.673 1.00 21.43 H new ATOM 771 N ALA A 53 20.692 -9.484 -0.567 1.00 75.21 N ATOM 772 CA ALA A 53 21.917 -9.572 0.209 1.00 35.25 C ATOM 773 C ALA A 53 22.927 -10.445 -0.537 1.00 61.04 C ATOM 774 O ALA A 53 24.129 -10.190 -0.488 1.00 4.14 O ATOM 775 CB ALA A 53 21.599 -10.113 1.605 1.00 14.41 C ATOM 0 H ALA A 53 19.858 -9.823 -0.087 1.00 75.21 H new ATOM 0 HA ALA A 53 22.363 -8.585 0.335 1.00 35.25 H new ATOM 0 HB1 ALA A 53 22.518 -10.179 2.188 1.00 14.41 H new ATOM 0 HB2 ALA A 53 20.900 -9.442 2.105 1.00 14.41 H new ATOM 0 HB3 ALA A 53 21.152 -11.103 1.518 1.00 14.41 H new ATOM 781 N ASN A 54 22.402 -11.457 -1.212 1.00 50.15 N ATOM 782 CA ASN A 54 23.243 -12.369 -1.969 1.00 3.22 C ATOM 783 C ASN A 54 23.804 -11.642 -3.193 1.00 73.31 C ATOM 784 O ASN A 54 24.950 -11.863 -3.580 1.00 23.25 O ATOM 785 CB ASN A 54 22.443 -13.576 -2.461 1.00 21.41 C ATOM 786 CG ASN A 54 23.223 -14.356 -3.522 1.00 1.43 C ATOM 787 OD1 ASN A 54 24.419 -14.574 -3.415 1.00 13.31 O ATOM 788 ND2 ASN A 54 22.482 -14.762 -4.549 1.00 11.34 N ATOM 0 H ASN A 54 21.404 -11.666 -1.251 1.00 50.15 H new ATOM 0 HA ASN A 54 24.044 -12.711 -1.314 1.00 3.22 H new ATOM 0 HB2 ASN A 54 22.212 -14.230 -1.621 1.00 21.41 H new ATOM 0 HB3 ASN A 54 21.492 -13.242 -2.876 1.00 21.41 H new ATOM 0 HD21 ASN A 54 22.910 -15.290 -5.310 1.00 11.34 H new ATOM 0 HD22 ASN A 54 21.486 -14.545 -4.576 1.00 11.34 H new ATOM 795 N ASP A 55 22.969 -10.790 -3.769 1.00 73.13 N ATOM 796 CA ASP A 55 23.366 -10.030 -4.942 1.00 4.32 C ATOM 797 C ASP A 55 24.489 -9.062 -4.560 1.00 73.34 C ATOM 798 O ASP A 55 25.246 -8.614 -5.420 1.00 54.02 O ATOM 799 CB ASP A 55 22.198 -9.207 -5.487 1.00 14.41 C ATOM 800 CG ASP A 55 22.469 -8.499 -6.816 1.00 62.32 C ATOM 801 OD1 ASP A 55 23.447 -8.806 -7.514 1.00 41.55 O ATOM 802 OD2 ASP A 55 21.615 -7.586 -7.132 1.00 40.40 O ATOM 0 H ASP A 55 22.019 -10.609 -3.445 1.00 73.13 H new ATOM 0 HA ASP A 55 23.697 -10.735 -5.705 1.00 4.32 H new ATOM 0 HB2 ASP A 55 21.337 -9.864 -5.612 1.00 14.41 H new ATOM 0 HB3 ASP A 55 21.923 -8.459 -4.744 1.00 14.41 H new ATOM 808 N ASN A 56 24.561 -8.769 -3.270 1.00 53.14 N ATOM 809 CA ASN A 56 25.578 -7.863 -2.765 1.00 11.14 C ATOM 810 C ASN A 56 26.817 -8.666 -2.365 1.00 62.31 C ATOM 811 O ASN A 56 27.908 -8.111 -2.241 1.00 72.22 O ATOM 812 CB ASN A 56 25.081 -7.113 -1.527 1.00 23.10 C ATOM 813 CG ASN A 56 23.944 -6.155 -1.886 1.00 41.41 C ATOM 814 OD1 ASN A 56 23.803 -5.080 -1.325 1.00 75.34 O ATOM 815 ND2 ASN A 56 23.144 -6.602 -2.850 1.00 11.43 N ATOM 0 H ASN A 56 23.932 -9.143 -2.560 1.00 53.14 H new ATOM 0 HA ASN A 56 25.812 -7.146 -3.552 1.00 11.14 H new ATOM 0 HB2 ASN A 56 24.737 -7.827 -0.779 1.00 23.10 H new ATOM 0 HB3 ASN A 56 25.904 -6.555 -1.081 1.00 23.10 H new ATOM 0 HD21 ASN A 56 22.355 -6.035 -3.162 1.00 11.43 H new ATOM 0 HD22 ASN A 56 23.319 -7.512 -3.277 1.00 11.43 H new ATOM 822 N GLY A 57 26.608 -9.961 -2.175 1.00 11.45 N ATOM 823 CA GLY A 57 27.695 -10.846 -1.792 1.00 14.05 C ATOM 824 C GLY A 57 28.107 -10.610 -0.337 1.00 63.22 C ATOM 825 O GLY A 57 29.263 -10.824 0.026 1.00 32.24 O ATOM 0 H GLY A 57 25.702 -10.418 -2.279 1.00 11.45 H new ATOM 0 HA2 GLY A 57 27.387 -11.883 -1.923 1.00 14.05 H new ATOM 0 HA3 GLY A 57 28.550 -10.682 -2.447 1.00 14.05 H new ATOM 829 N VAL A 58 27.140 -10.172 0.455 1.00 21.44 N ATOM 830 CA VAL A 58 27.388 -9.905 1.862 1.00 65.21 C ATOM 831 C VAL A 58 26.466 -10.780 2.713 1.00 11.34 C ATOM 832 O VAL A 58 25.266 -10.860 2.453 1.00 65.21 O ATOM 833 CB VAL A 58 27.227 -8.411 2.147 1.00 14.33 C ATOM 834 CG1 VAL A 58 27.247 -8.134 3.652 1.00 65.51 C ATOM 835 CG2 VAL A 58 28.301 -7.595 1.425 1.00 70.20 C ATOM 0 H VAL A 58 26.183 -9.995 0.150 1.00 21.44 H new ATOM 0 HA VAL A 58 28.414 -10.163 2.125 1.00 65.21 H new ATOM 0 HB VAL A 58 26.256 -8.100 1.762 1.00 14.33 H new ATOM 0 HG11 VAL A 58 27.131 -7.064 3.827 1.00 65.51 H new ATOM 0 HG12 VAL A 58 26.429 -8.671 4.132 1.00 65.51 H new ATOM 0 HG13 VAL A 58 28.196 -8.469 4.071 1.00 65.51 H new ATOM 0 HG21 VAL A 58 28.163 -6.536 1.645 1.00 70.20 H new ATOM 0 HG22 VAL A 58 29.287 -7.911 1.765 1.00 70.20 H new ATOM 0 HG23 VAL A 58 28.219 -7.756 0.350 1.00 70.20 H new ATOM 845 N ASP A 59 27.061 -11.413 3.714 1.00 53.13 N ATOM 846 CA ASP A 59 26.307 -12.278 4.605 1.00 23.50 C ATOM 847 C ASP A 59 26.876 -12.165 6.021 1.00 43.23 C ATOM 848 O ASP A 59 28.089 -12.069 6.200 1.00 3.22 O ATOM 849 CB ASP A 59 26.411 -13.742 4.170 1.00 42.52 C ATOM 850 CG ASP A 59 25.200 -14.608 4.520 1.00 53.10 C ATOM 851 OD1 ASP A 59 25.045 -15.057 5.665 1.00 24.14 O ATOM 852 OD2 ASP A 59 24.381 -14.820 3.545 1.00 25.35 O ATOM 0 H ASP A 59 28.056 -11.344 3.927 1.00 53.13 H new ATOM 0 HA ASP A 59 25.263 -11.965 4.575 1.00 23.50 H new ATOM 0 HB2 ASP A 59 26.563 -13.775 3.091 1.00 42.52 H new ATOM 0 HB3 ASP A 59 27.297 -14.180 4.630 1.00 42.52 H new ATOM 858 N GLY A 60 25.973 -12.179 6.990 1.00 61.40 N ATOM 859 CA GLY A 60 26.370 -12.079 8.384 1.00 31.12 C ATOM 860 C GLY A 60 25.170 -12.282 9.312 1.00 61.43 C ATOM 861 O GLY A 60 24.568 -13.355 9.327 1.00 11.25 O ATOM 0 H GLY A 60 24.968 -12.258 6.837 1.00 61.40 H new ATOM 0 HA2 GLY A 60 27.134 -12.825 8.603 1.00 31.12 H new ATOM 0 HA3 GLY A 60 26.817 -11.102 8.569 1.00 31.12 H new ATOM 865 N GLU A 61 24.859 -11.236 10.062 1.00 12.21 N ATOM 866 CA GLU A 61 23.742 -11.286 10.990 1.00 12.01 C ATOM 867 C GLU A 61 22.492 -10.679 10.350 1.00 72.24 C ATOM 868 O GLU A 61 22.464 -9.489 10.040 1.00 62.11 O ATOM 869 CB GLU A 61 24.086 -10.576 12.301 1.00 72.10 C ATOM 870 CG GLU A 61 23.074 -10.923 13.395 1.00 75.25 C ATOM 871 CD GLU A 61 23.613 -10.554 14.778 1.00 31.30 C ATOM 872 OE1 GLU A 61 23.539 -11.369 15.710 1.00 72.12 O ATOM 873 OE2 GLU A 61 24.125 -9.373 14.867 1.00 72.54 O ATOM 0 H GLU A 61 25.361 -10.348 10.046 1.00 12.21 H new ATOM 0 HA GLU A 61 23.536 -12.331 11.224 1.00 12.01 H new ATOM 0 HB2 GLU A 61 25.087 -10.863 12.622 1.00 72.10 H new ATOM 0 HB3 GLU A 61 24.100 -9.498 12.142 1.00 72.10 H new ATOM 0 HG2 GLU A 61 22.139 -10.393 13.212 1.00 75.25 H new ATOM 0 HG3 GLU A 61 22.848 -11.989 13.361 1.00 75.25 H new ATOM 881 N TRP A 62 21.488 -11.525 10.170 1.00 51.11 N ATOM 882 CA TRP A 62 20.238 -11.087 9.572 1.00 42.22 C ATOM 883 C TRP A 62 19.242 -10.819 10.702 1.00 73.15 C ATOM 884 O TRP A 62 18.987 -11.692 11.530 1.00 62.45 O ATOM 885 CB TRP A 62 19.729 -12.110 8.555 1.00 34.11 C ATOM 886 CG TRP A 62 20.663 -12.321 7.362 1.00 1.32 C ATOM 887 CD1 TRP A 62 21.959 -12.663 7.379 1.00 13.43 C ATOM 888 CD2 TRP A 62 20.319 -12.188 5.967 1.00 63.43 C ATOM 889 NE1 TRP A 62 22.473 -12.760 6.102 1.00 1.13 N ATOM 890 CE2 TRP A 62 21.444 -12.463 5.216 1.00 3.51 C ATOM 891 CE3 TRP A 62 19.098 -11.849 5.359 1.00 52.41 C ATOM 892 CZ2 TRP A 62 21.460 -12.425 3.817 1.00 41.13 C ATOM 893 CZ3 TRP A 62 19.130 -11.815 3.960 1.00 62.34 C ATOM 894 CH2 TRP A 62 20.255 -12.089 3.189 1.00 15.54 C ATOM 0 H TRP A 62 21.515 -12.512 10.428 1.00 51.11 H new ATOM 0 HA TRP A 62 20.381 -10.165 9.009 1.00 42.22 H new ATOM 0 HB2 TRP A 62 19.580 -13.065 9.059 1.00 34.11 H new ATOM 0 HB3 TRP A 62 18.755 -11.788 8.188 1.00 34.11 H new ATOM 0 HD1 TRP A 62 22.529 -12.840 8.279 1.00 13.43 H new ATOM 0 HE1 TRP A 62 23.432 -13.005 5.854 1.00 1.13 H new ATOM 0 HE3 TRP A 62 18.205 -11.632 5.927 1.00 52.41 H new ATOM 0 HZ2 TRP A 62 22.354 -12.643 3.252 1.00 41.13 H new ATOM 0 HZ3 TRP A 62 18.217 -11.558 3.443 1.00 62.34 H new ATOM 0 HH2 TRP A 62 20.199 -12.043 2.111 1.00 15.54 H new ATOM 905 N THR A 63 18.705 -9.608 10.699 1.00 14.11 N ATOM 906 CA THR A 63 17.742 -9.214 11.713 1.00 34.24 C ATOM 907 C THR A 63 16.579 -8.450 11.077 1.00 3.50 C ATOM 908 O THR A 63 16.793 -7.549 10.267 1.00 65.45 O ATOM 909 CB THR A 63 18.484 -8.411 12.784 1.00 73.44 C ATOM 910 OG1 THR A 63 17.465 -8.043 13.710 1.00 44.02 O ATOM 911 CG2 THR A 63 19.008 -7.075 12.255 1.00 54.43 C ATOM 0 H THR A 63 18.919 -8.887 10.010 1.00 14.11 H new ATOM 0 HA THR A 63 17.294 -10.085 12.192 1.00 34.24 H new ATOM 0 HB THR A 63 19.316 -9.000 13.168 1.00 73.44 H new ATOM 0 HG1 THR A 63 17.859 -7.520 14.439 1.00 44.02 H new ATOM 0 HG21 THR A 63 19.526 -6.545 13.054 1.00 54.43 H new ATOM 0 HG22 THR A 63 19.699 -7.256 11.432 1.00 54.43 H new ATOM 0 HG23 THR A 63 18.173 -6.471 11.901 1.00 54.43 H new ATOM 919 N TYR A 64 15.374 -8.836 11.468 1.00 11.02 N ATOM 920 CA TYR A 64 14.177 -8.198 10.946 1.00 4.01 C ATOM 921 C TYR A 64 13.226 -7.807 12.079 1.00 51.33 C ATOM 922 O TYR A 64 13.053 -8.558 13.037 1.00 64.52 O ATOM 923 CB TYR A 64 13.495 -9.242 10.061 1.00 72.44 C ATOM 924 CG TYR A 64 11.979 -9.066 9.946 1.00 24.52 C ATOM 925 CD1 TYR A 64 11.142 -9.686 10.852 1.00 4.20 C ATOM 926 CD2 TYR A 64 11.449 -8.288 8.937 1.00 62.40 C ATOM 927 CE1 TYR A 64 9.716 -9.520 10.744 1.00 20.23 C ATOM 928 CE2 TYR A 64 10.023 -8.123 8.829 1.00 12.22 C ATOM 929 CZ TYR A 64 9.227 -8.747 9.738 1.00 14.01 C ATOM 930 OH TYR A 64 7.879 -8.591 9.636 1.00 5.44 O ATOM 0 H TYR A 64 15.200 -9.583 12.141 1.00 11.02 H new ATOM 0 HA TYR A 64 14.433 -7.290 10.400 1.00 4.01 H new ATOM 0 HB2 TYR A 64 13.932 -9.199 9.063 1.00 72.44 H new ATOM 0 HB3 TYR A 64 13.706 -10.235 10.459 1.00 72.44 H new ATOM 0 HD1 TYR A 64 11.557 -10.295 11.641 1.00 4.20 H new ATOM 0 HD2 TYR A 64 12.104 -7.803 8.228 1.00 62.40 H new ATOM 0 HE1 TYR A 64 9.050 -9.999 11.446 1.00 20.23 H new ATOM 0 HE2 TYR A 64 9.595 -7.517 8.044 1.00 12.22 H new ATOM 0 HH TYR A 64 7.430 -9.226 10.233 1.00 5.44 H new ATOM 940 N ASP A 65 12.633 -6.631 11.931 1.00 4.11 N ATOM 941 CA ASP A 65 11.704 -6.131 12.930 1.00 52.33 C ATOM 942 C ASP A 65 10.319 -5.977 12.299 1.00 55.32 C ATOM 943 O ASP A 65 10.099 -5.079 11.487 1.00 74.31 O ATOM 944 CB ASP A 65 12.141 -4.761 13.451 1.00 13.55 C ATOM 945 CG ASP A 65 12.972 -4.792 14.736 1.00 60.55 C ATOM 946 OD1 ASP A 65 13.816 -5.680 14.928 1.00 32.51 O ATOM 947 OD2 ASP A 65 12.722 -3.842 15.571 1.00 53.22 O ATOM 0 H ASP A 65 12.778 -6.010 11.135 1.00 4.11 H new ATOM 0 HA ASP A 65 11.683 -6.841 13.757 1.00 52.33 H new ATOM 0 HB2 ASP A 65 12.720 -4.261 12.674 1.00 13.55 H new ATOM 0 HB3 ASP A 65 11.252 -4.155 13.626 1.00 13.55 H new ATOM 953 N ASP A 66 9.420 -6.866 12.696 1.00 3.22 N ATOM 954 CA ASP A 66 8.062 -6.840 12.180 1.00 43.12 C ATOM 955 C ASP A 66 7.392 -5.526 12.586 1.00 32.11 C ATOM 956 O ASP A 66 6.410 -5.111 11.973 1.00 53.30 O ATOM 957 CB ASP A 66 7.233 -7.991 12.753 1.00 41.10 C ATOM 958 CG ASP A 66 5.934 -8.289 12.002 1.00 40.34 C ATOM 959 OD1 ASP A 66 5.800 -9.333 11.346 1.00 3.30 O ATOM 960 OD2 ASP A 66 5.022 -7.383 12.110 1.00 33.10 O ATOM 0 H ASP A 66 9.606 -7.609 13.369 1.00 3.22 H new ATOM 0 HA ASP A 66 8.111 -6.937 11.095 1.00 43.12 H new ATOM 0 HB2 ASP A 66 7.846 -8.892 12.760 1.00 41.10 H new ATOM 0 HB3 ASP A 66 6.991 -7.763 13.791 1.00 41.10 H new ATOM 966 N ALA A 67 7.949 -4.908 13.617 1.00 21.53 N ATOM 967 CA ALA A 67 7.417 -3.650 14.113 1.00 64.23 C ATOM 968 C ALA A 67 7.467 -2.605 12.996 1.00 25.50 C ATOM 969 O ALA A 67 6.656 -1.681 12.969 1.00 25.11 O ATOM 970 CB ALA A 67 8.202 -3.217 15.352 1.00 4.23 C ATOM 0 H ALA A 67 8.764 -5.255 14.123 1.00 21.53 H new ATOM 0 HA ALA A 67 6.375 -3.765 14.411 1.00 64.23 H new ATOM 0 HB1 ALA A 67 7.803 -2.273 15.724 1.00 4.23 H new ATOM 0 HB2 ALA A 67 8.111 -3.980 16.125 1.00 4.23 H new ATOM 0 HB3 ALA A 67 9.252 -3.089 15.091 1.00 4.23 H new ATOM 976 N THR A 68 8.428 -2.787 12.102 1.00 72.54 N ATOM 977 CA THR A 68 8.594 -1.872 10.986 1.00 63.15 C ATOM 978 C THR A 68 8.882 -2.647 9.698 1.00 33.53 C ATOM 979 O THR A 68 9.278 -2.062 8.692 1.00 53.32 O ATOM 980 CB THR A 68 9.695 -0.874 11.352 1.00 34.44 C ATOM 981 OG1 THR A 68 10.870 -1.674 11.449 1.00 42.13 O ATOM 982 CG2 THR A 68 9.519 -0.300 12.760 1.00 54.25 C ATOM 0 H THR A 68 9.099 -3.554 12.128 1.00 72.54 H new ATOM 0 HA THR A 68 7.678 -1.313 10.795 1.00 63.15 H new ATOM 0 HB THR A 68 9.704 -0.061 10.626 1.00 34.44 H new ATOM 0 HG1 THR A 68 11.634 -1.106 11.682 1.00 42.13 H new ATOM 0 HG21 THR A 68 10.326 0.402 12.970 1.00 54.25 H new ATOM 0 HG22 THR A 68 8.562 0.217 12.825 1.00 54.25 H new ATOM 0 HG23 THR A 68 9.544 -1.110 13.489 1.00 54.25 H new ATOM 990 N LYS A 69 8.671 -3.953 9.772 1.00 20.45 N ATOM 991 CA LYS A 69 8.902 -4.815 8.626 1.00 65.14 C ATOM 992 C LYS A 69 10.172 -4.363 7.901 1.00 21.05 C ATOM 993 O LYS A 69 10.138 -4.067 6.708 1.00 3.11 O ATOM 994 CB LYS A 69 7.664 -4.857 7.728 1.00 41.50 C ATOM 995 CG LYS A 69 6.839 -6.118 7.990 1.00 31.01 C ATOM 996 CD LYS A 69 5.860 -5.903 9.146 1.00 4.45 C ATOM 997 CE LYS A 69 4.560 -6.675 8.916 1.00 63.53 C ATOM 998 NZ LYS A 69 4.599 -7.977 9.620 1.00 40.23 N ATOM 0 H LYS A 69 8.342 -4.435 10.609 1.00 20.45 H new ATOM 0 HA LYS A 69 9.067 -5.843 8.950 1.00 65.14 H new ATOM 0 HB2 LYS A 69 7.051 -3.974 7.906 1.00 41.50 H new ATOM 0 HB3 LYS A 69 7.968 -4.828 6.682 1.00 41.50 H new ATOM 0 HG2 LYS A 69 6.289 -6.391 7.089 1.00 31.01 H new ATOM 0 HG3 LYS A 69 7.504 -6.950 8.222 1.00 31.01 H new ATOM 0 HD2 LYS A 69 6.319 -6.227 10.080 1.00 4.45 H new ATOM 0 HD3 LYS A 69 5.642 -4.840 9.249 1.00 4.45 H new ATOM 0 HE2 LYS A 69 3.713 -6.088 9.272 1.00 63.53 H new ATOM 0 HE3 LYS A 69 4.410 -6.836 7.849 1.00 63.53 H new ATOM 0 HZ1 LYS A 69 4.024 -8.670 9.100 1.00 40.23 H new ATOM 0 HZ2 LYS A 69 5.582 -8.313 9.674 1.00 40.23 H new ATOM 0 HZ3 LYS A 69 4.218 -7.863 10.581 1.00 40.23 H new ATOM 1011 N THR A 70 11.262 -4.324 8.654 1.00 61.13 N ATOM 1012 CA THR A 70 12.540 -3.913 8.098 1.00 24.15 C ATOM 1013 C THR A 70 13.620 -4.948 8.422 1.00 72.00 C ATOM 1014 O THR A 70 13.688 -5.450 9.543 1.00 55.01 O ATOM 1015 CB THR A 70 12.860 -2.515 8.631 1.00 32.05 C ATOM 1016 OG1 THR A 70 11.939 -1.666 7.952 1.00 2.31 O ATOM 1017 CG2 THR A 70 14.233 -2.015 8.178 1.00 52.13 C ATOM 0 H THR A 70 11.286 -4.570 9.644 1.00 61.13 H new ATOM 0 HA THR A 70 12.499 -3.861 7.010 1.00 24.15 H new ATOM 0 HB THR A 70 12.819 -2.524 9.720 1.00 32.05 H new ATOM 0 HG1 THR A 70 11.034 -1.826 8.293 1.00 2.31 H new ATOM 0 HG21 THR A 70 14.410 -1.019 8.584 1.00 52.13 H new ATOM 0 HG22 THR A 70 15.005 -2.696 8.538 1.00 52.13 H new ATOM 0 HG23 THR A 70 14.264 -1.974 7.089 1.00 52.13 H new ATOM 1025 N PHE A 71 14.437 -5.236 7.420 1.00 60.52 N ATOM 1026 CA PHE A 71 15.510 -6.203 7.584 1.00 50.45 C ATOM 1027 C PHE A 71 16.878 -5.533 7.437 1.00 51.04 C ATOM 1028 O PHE A 71 17.058 -4.659 6.590 1.00 75.34 O ATOM 1029 CB PHE A 71 15.345 -7.246 6.477 1.00 32.21 C ATOM 1030 CG PHE A 71 13.943 -7.854 6.399 1.00 12.12 C ATOM 1031 CD1 PHE A 71 12.890 -7.087 6.008 1.00 50.01 C ATOM 1032 CD2 PHE A 71 13.749 -9.161 6.721 1.00 3.13 C ATOM 1033 CE1 PHE A 71 11.589 -7.651 5.936 1.00 52.13 C ATOM 1034 CE2 PHE A 71 12.448 -9.725 6.649 1.00 1.12 C ATOM 1035 CZ PHE A 71 11.395 -8.958 6.258 1.00 43.01 C ATOM 0 H PHE A 71 14.378 -4.817 6.492 1.00 60.52 H new ATOM 0 HA PHE A 71 15.459 -6.651 8.576 1.00 50.45 H new ATOM 0 HB2 PHE A 71 15.584 -6.785 5.519 1.00 32.21 H new ATOM 0 HB3 PHE A 71 16.069 -8.046 6.635 1.00 32.21 H new ATOM 0 HD1 PHE A 71 13.043 -6.049 5.752 1.00 50.01 H new ATOM 0 HD2 PHE A 71 14.585 -9.770 7.032 1.00 3.13 H new ATOM 0 HE1 PHE A 71 10.753 -7.042 5.625 1.00 52.13 H new ATOM 0 HE2 PHE A 71 12.295 -10.763 6.905 1.00 1.12 H new ATOM 0 HZ PHE A 71 10.405 -9.387 6.203 1.00 43.01 H new ATOM 1045 N THR A 72 17.807 -5.968 8.275 1.00 62.24 N ATOM 1046 CA THR A 72 19.153 -5.422 8.249 1.00 44.13 C ATOM 1047 C THR A 72 20.187 -6.550 8.243 1.00 73.14 C ATOM 1048 O THR A 72 20.079 -7.500 9.017 1.00 53.14 O ATOM 1049 CB THR A 72 19.300 -4.470 9.437 1.00 2.23 C ATOM 1050 OG1 THR A 72 18.029 -3.832 9.530 1.00 4.03 O ATOM 1051 CG2 THR A 72 20.273 -3.323 9.153 1.00 74.33 C ATOM 0 H THR A 72 17.654 -6.693 8.976 1.00 62.24 H new ATOM 0 HA THR A 72 19.332 -4.855 7.335 1.00 44.13 H new ATOM 0 HB THR A 72 19.642 -5.028 10.308 1.00 2.23 H new ATOM 0 HG1 THR A 72 18.035 -3.198 10.277 1.00 4.03 H new ATOM 0 HG21 THR A 72 20.340 -2.677 10.029 1.00 74.33 H new ATOM 0 HG22 THR A 72 21.258 -3.730 8.926 1.00 74.33 H new ATOM 0 HG23 THR A 72 19.914 -2.744 8.302 1.00 74.33 H new ATOM 1059 N VAL A 73 21.165 -6.408 7.360 1.00 21.45 N ATOM 1060 CA VAL A 73 22.217 -7.404 7.243 1.00 1.23 C ATOM 1061 C VAL A 73 23.537 -6.804 7.732 1.00 63.24 C ATOM 1062 O VAL A 73 24.024 -5.825 7.169 1.00 42.22 O ATOM 1063 CB VAL A 73 22.291 -7.920 5.805 1.00 31.40 C ATOM 1064 CG1 VAL A 73 23.582 -7.462 5.124 1.00 71.44 C ATOM 1065 CG2 VAL A 73 22.159 -9.444 5.762 1.00 31.13 C ATOM 0 H VAL A 73 21.251 -5.619 6.719 1.00 21.45 H new ATOM 0 HA VAL A 73 21.999 -8.267 7.873 1.00 1.23 H new ATOM 0 HB VAL A 73 21.452 -7.495 5.253 1.00 31.40 H new ATOM 0 HG11 VAL A 73 23.609 -7.842 4.103 1.00 71.44 H new ATOM 0 HG12 VAL A 73 23.617 -6.373 5.106 1.00 71.44 H new ATOM 0 HG13 VAL A 73 24.440 -7.844 5.677 1.00 71.44 H new ATOM 0 HG21 VAL A 73 22.215 -9.785 4.728 1.00 31.13 H new ATOM 0 HG22 VAL A 73 22.967 -9.896 6.337 1.00 31.13 H new ATOM 0 HG23 VAL A 73 21.201 -9.738 6.190 1.00 31.13 H new ATOM 1075 N THR A 74 24.079 -7.417 8.774 1.00 61.22 N ATOM 1076 CA THR A 74 25.333 -6.956 9.344 1.00 25.23 C ATOM 1077 C THR A 74 26.466 -7.923 8.993 1.00 42.42 C ATOM 1078 O THR A 74 26.424 -9.095 9.363 1.00 4.23 O ATOM 1079 CB THR A 74 25.131 -6.779 10.850 1.00 21.24 C ATOM 1080 OG1 THR A 74 23.812 -6.253 10.964 1.00 51.41 O ATOM 1081 CG2 THR A 74 26.022 -5.682 11.436 1.00 10.30 C ATOM 0 H THR A 74 23.672 -8.229 9.238 1.00 61.22 H new ATOM 0 HA THR A 74 25.627 -5.994 8.925 1.00 25.23 H new ATOM 0 HB THR A 74 25.336 -7.722 11.357 1.00 21.24 H new ATOM 0 HG1 THR A 74 23.598 -6.109 11.909 1.00 51.41 H new ATOM 0 HG21 THR A 74 25.839 -5.598 12.507 1.00 10.30 H new ATOM 0 HG22 THR A 74 27.069 -5.934 11.266 1.00 10.30 H new ATOM 0 HG23 THR A 74 25.794 -4.732 10.953 1.00 10.30 H new ATOM 1089 N GLU A 75 27.452 -7.395 8.282 1.00 51.02 N ATOM 1090 CA GLU A 75 28.594 -8.196 7.876 1.00 21.31 C ATOM 1091 C GLU A 75 29.740 -8.031 8.876 1.00 23.21 C ATOM 1092 O GLU A 75 30.458 -8.987 9.166 1.00 4.21 O ATOM 1093 CB GLU A 75 29.045 -7.831 6.460 1.00 32.34 C ATOM 1094 CG GLU A 75 29.809 -8.988 5.813 1.00 51.12 C ATOM 1095 CD GLU A 75 30.114 -8.689 4.343 1.00 35.35 C ATOM 1096 OE1 GLU A 75 30.435 -7.543 3.998 1.00 51.34 O ATOM 1097 OE2 GLU A 75 30.008 -9.700 3.548 1.00 12.35 O ATOM 0 H GLU A 75 27.483 -6.422 7.977 1.00 51.02 H new ATOM 0 HA GLU A 75 28.293 -9.244 7.867 1.00 21.31 H new ATOM 0 HB2 GLU A 75 28.177 -7.579 5.852 1.00 32.34 H new ATOM 0 HB3 GLU A 75 29.679 -6.945 6.493 1.00 32.34 H new ATOM 0 HG2 GLU A 75 30.740 -9.161 6.353 1.00 51.12 H new ATOM 0 HG3 GLU A 75 29.222 -9.903 5.888 1.00 51.12 H new TER 1105 GLU A 75 HETATM 1106 LA LA A 76 -1.751 -3.517 -13.336 1.00 53.43 LA