USER MOD reduce.3.24.130724 H: found=0, std=0, add=938, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 932 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 27 GLN :FLIP amide:sc= -0.245 X(o=-0.043,f=0.18) USER MOD Set 1.2: A 43 HIS :FLIP no HD1:sc= 0.426 F(o=-0.85,f=0.18) USER MOD Single : A 1 GLY N :NH3+ 158:sc= 0 (180deg=-0.201) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -0.0895 X(o=-0.089,f=-0.085) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.113 USER MOD Single : A 12 SER OG : rot 78:sc= 1.17 USER MOD Single : A 14 CYS SG : rot 121:sc= -1.04 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 MET CE :methyl 162:sc= -0.138 (180deg=-0.425) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.021) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= -0.0824 K(o=-0.082,f=-0.94) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.00668 USER MOD Single : A 46 GLN : amide:sc= -0.0483 K(o=-0.048,f=-1.3!) USER MOD Single : A 47 CYS SG : rot 170:sc= -2.63 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 HIS : no HE2:sc= 0.784 K(o=0.78,f=-2.6!) USER MOD Single : A 56 THR OG1 : rot 77:sc= 0.412 USER MOD Single : A 58 CYS SG : rot 150:sc= -0.396 USER MOD Single : A 60 LYS NZ :NH3+ 168:sc= 1.17 (180deg=0.806) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 67 GLN : amide:sc= 0.316 K(o=0.32,f=-0.23) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 GLN : amide:sc= -0.105 X(o=-0.11,f=-0.073) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= 0.0378 K(o=0.038,f=-0.56) USER MOD Single : A 80 SER OG : rot -19:sc= 0.168 USER MOD Single : A 81 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0954) USER MOD Single : A 83 THR OG1 : rot 67:sc= 1.19 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 HIS : no HD1:sc= -0.0707 X(o=-0.071,f=0.0083) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= -0.0198 (180deg=-0.0198) USER MOD Single : A 102 GLN : amide:sc= -0.109 X(o=-0.11,f=-0.11) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 105 GLN :FLIP amide:sc= 0 F(o=-0.5,f=0) USER MOD Single : A 106 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 ASN : amide:sc= 0 X(o=0,f=-0.099) USER MOD Single : A 108 SER OG : rot 180:sc= 0.138 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -18.430 -19.103 -5.205 1.00 1.25 N ATOM 2 CA GLY A 1 -18.454 -19.440 -6.636 1.00 24.31 C ATOM 3 C GLY A 1 -17.748 -18.379 -7.470 1.00 74.41 C ATOM 4 O GLY A 1 -16.591 -18.587 -7.847 1.00 72.14 O ATOM 0 H1 GLY A 1 -19.200 -19.604 -4.717 1.00 1.25 H new ATOM 0 H2 GLY A 1 -17.517 -19.389 -4.796 1.00 1.25 H new ATOM 0 H3 GLY A 1 -18.556 -18.077 -5.088 1.00 1.25 H new ATOM 0 HA2 GLY A 1 -17.974 -20.406 -6.792 1.00 24.31 H new ATOM 0 HA3 GLY A 1 -19.487 -19.540 -6.970 1.00 24.31 H new ATOM 8 N PRO A 2 -18.407 -17.249 -7.776 1.00 21.13 N ATOM 9 CA PRO A 2 -17.794 -16.127 -8.487 1.00 33.10 C ATOM 10 C PRO A 2 -16.599 -15.583 -7.691 1.00 31.23 C ATOM 11 O PRO A 2 -16.671 -15.505 -6.464 1.00 32.32 O ATOM 12 CB PRO A 2 -18.915 -15.102 -8.693 1.00 20.42 C ATOM 13 CG PRO A 2 -19.988 -15.478 -7.680 1.00 53.34 C ATOM 14 CD PRO A 2 -19.799 -16.971 -7.461 1.00 51.34 C ATOM 0 HA PRO A 2 -17.380 -16.412 -9.454 1.00 33.10 H new ATOM 0 HB2 PRO A 2 -18.556 -14.086 -8.528 1.00 20.42 H new ATOM 0 HB3 PRO A 2 -19.303 -15.141 -9.711 1.00 20.42 H new ATOM 0 HG2 PRO A 2 -19.868 -14.922 -6.750 1.00 53.34 H new ATOM 0 HG3 PRO A 2 -20.986 -15.256 -8.058 1.00 53.34 H new ATOM 0 HD2 PRO A 2 -20.029 -17.247 -6.432 1.00 51.34 H new ATOM 0 HD3 PRO A 2 -20.467 -17.547 -8.102 1.00 51.34 H new ATOM 22 N LEU A 3 -15.483 -15.270 -8.355 1.00 33.52 N ATOM 23 CA LEU A 3 -14.214 -14.919 -7.717 1.00 53.12 C ATOM 24 C LEU A 3 -13.805 -13.523 -8.167 1.00 21.41 C ATOM 25 O LEU A 3 -12.958 -13.363 -9.053 1.00 21.53 O ATOM 26 CB LEU A 3 -13.138 -15.971 -8.045 1.00 51.24 C ATOM 27 CG LEU A 3 -13.236 -17.247 -7.194 1.00 72.34 C ATOM 28 CD1 LEU A 3 -12.352 -18.336 -7.802 1.00 44.30 C ATOM 29 CD2 LEU A 3 -12.800 -16.997 -5.744 1.00 70.30 C ATOM 0 H LEU A 3 -15.437 -15.254 -9.374 1.00 33.52 H new ATOM 0 HA LEU A 3 -14.329 -14.912 -6.633 1.00 53.12 H new ATOM 0 HB2 LEU A 3 -13.217 -16.241 -9.098 1.00 51.24 H new ATOM 0 HB3 LEU A 3 -12.153 -15.526 -7.903 1.00 51.24 H new ATOM 0 HG LEU A 3 -14.279 -17.563 -7.187 1.00 72.34 H new ATOM 0 HD11 LEU A 3 -12.422 -19.241 -7.198 1.00 44.30 H new ATOM 0 HD12 LEU A 3 -12.686 -18.551 -8.817 1.00 44.30 H new ATOM 0 HD13 LEU A 3 -11.317 -17.994 -7.825 1.00 44.30 H new ATOM 0 HD21 LEU A 3 -12.883 -17.923 -5.174 1.00 70.30 H new ATOM 0 HD22 LEU A 3 -11.766 -16.654 -5.729 1.00 70.30 H new ATOM 0 HD23 LEU A 3 -13.441 -16.237 -5.297 1.00 70.30 H new ATOM 41 N GLY A 4 -14.379 -12.511 -7.526 1.00 55.33 N ATOM 42 CA GLY A 4 -14.135 -11.111 -7.823 1.00 41.35 C ATOM 43 C GLY A 4 -14.568 -10.246 -6.649 1.00 40.13 C ATOM 44 O GLY A 4 -15.370 -10.678 -5.813 1.00 43.23 O ATOM 0 H GLY A 4 -15.044 -12.649 -6.765 1.00 55.33 H new ATOM 0 HA2 GLY A 4 -13.076 -10.954 -8.030 1.00 41.35 H new ATOM 0 HA3 GLY A 4 -14.682 -10.821 -8.720 1.00 41.35 H new ATOM 48 N SER A 5 -14.048 -9.020 -6.627 1.00 42.54 N ATOM 49 CA SER A 5 -14.008 -8.118 -5.488 1.00 3.44 C ATOM 50 C SER A 5 -13.424 -8.769 -4.224 1.00 4.11 C ATOM 51 O SER A 5 -12.844 -9.858 -4.275 1.00 1.13 O ATOM 52 CB SER A 5 -15.378 -7.459 -5.291 1.00 3.10 C ATOM 53 OG SER A 5 -15.172 -6.099 -4.974 1.00 33.13 O ATOM 0 H SER A 5 -13.619 -8.610 -7.456 1.00 42.54 H new ATOM 0 HA SER A 5 -13.302 -7.317 -5.706 1.00 3.44 H new ATOM 0 HB2 SER A 5 -15.978 -7.552 -6.196 1.00 3.10 H new ATOM 0 HB3 SER A 5 -15.928 -7.956 -4.492 1.00 3.10 H new ATOM 0 HG SER A 5 -16.038 -5.658 -4.846 1.00 33.13 H new ATOM 59 N LEU A 6 -13.438 -8.039 -3.107 1.00 13.12 N ATOM 60 CA LEU A 6 -13.028 -8.555 -1.807 1.00 4.11 C ATOM 61 C LEU A 6 -14.251 -9.261 -1.234 1.00 45.43 C ATOM 62 O LEU A 6 -15.180 -8.589 -0.796 1.00 60.30 O ATOM 63 CB LEU A 6 -12.533 -7.426 -0.877 1.00 72.24 C ATOM 64 CG LEU A 6 -11.345 -6.600 -1.406 1.00 35.44 C ATOM 65 CD1 LEU A 6 -10.936 -5.555 -0.366 1.00 4.41 C ATOM 66 CD2 LEU A 6 -10.111 -7.449 -1.734 1.00 61.12 C ATOM 0 H LEU A 6 -13.738 -7.064 -3.083 1.00 13.12 H new ATOM 0 HA LEU A 6 -12.186 -9.241 -1.902 1.00 4.11 H new ATOM 0 HB2 LEU A 6 -13.365 -6.749 -0.682 1.00 72.24 H new ATOM 0 HB3 LEU A 6 -12.249 -7.866 0.079 1.00 72.24 H new ATOM 0 HG LEU A 6 -11.689 -6.135 -2.330 1.00 35.44 H new ATOM 0 HD11 LEU A 6 -10.096 -4.974 -0.745 1.00 4.41 H new ATOM 0 HD12 LEU A 6 -11.777 -4.890 -0.168 1.00 4.41 H new ATOM 0 HD13 LEU A 6 -10.644 -6.055 0.557 1.00 4.41 H new ATOM 0 HD21 LEU A 6 -9.313 -6.804 -2.101 1.00 61.12 H new ATOM 0 HD22 LEU A 6 -9.775 -7.966 -0.835 1.00 61.12 H new ATOM 0 HD23 LEU A 6 -10.366 -8.182 -2.500 1.00 61.12 H new ATOM 78 N ASP A 7 -14.297 -10.590 -1.301 1.00 75.13 N ATOM 79 CA ASP A 7 -15.391 -11.378 -0.724 1.00 1.34 C ATOM 80 C ASP A 7 -15.466 -11.211 0.793 1.00 50.11 C ATOM 81 O ASP A 7 -14.580 -10.617 1.407 1.00 25.20 O ATOM 82 CB ASP A 7 -15.276 -12.872 -1.093 1.00 22.15 C ATOM 83 CG ASP A 7 -16.436 -13.308 -1.980 1.00 51.25 C ATOM 84 OD1 ASP A 7 -17.589 -12.925 -1.696 1.00 3.35 O1- ATOM 85 OD2 ASP A 7 -16.178 -13.927 -3.038 1.00 12.54 O ATOM 0 H ASP A 7 -13.579 -11.153 -1.756 1.00 75.13 H new ATOM 0 HA ASP A 7 -16.315 -10.993 -1.155 1.00 1.34 H new ATOM 0 HB2 ASP A 7 -14.332 -13.051 -1.609 1.00 22.15 H new ATOM 0 HB3 ASP A 7 -15.262 -13.474 -0.185 1.00 22.15 H new ATOM 90 N GLN A 8 -16.502 -11.780 1.414 1.00 35.03 N ATOM 91 CA GLN A 8 -16.796 -11.601 2.833 1.00 31.00 C ATOM 92 C GLN A 8 -15.579 -11.797 3.743 1.00 15.44 C ATOM 93 O GLN A 8 -15.291 -10.926 4.566 1.00 42.40 O ATOM 94 CB GLN A 8 -17.962 -12.520 3.248 1.00 11.40 C ATOM 95 CG GLN A 8 -19.224 -11.711 3.545 1.00 73.15 C ATOM 96 CD GLN A 8 -19.051 -10.864 4.804 1.00 5.35 C ATOM 97 OE1 GLN A 8 -19.049 -11.405 5.909 1.00 73.41 O ATOM 98 NE2 GLN A 8 -18.898 -9.554 4.687 1.00 23.44 N ATOM 0 H GLN A 8 -17.168 -12.386 0.936 1.00 35.03 H new ATOM 0 HA GLN A 8 -17.090 -10.560 2.967 1.00 31.00 H new ATOM 0 HB2 GLN A 8 -18.165 -13.236 2.452 1.00 11.40 H new ATOM 0 HB3 GLN A 8 -17.679 -13.095 4.130 1.00 11.40 H new ATOM 0 HG2 GLN A 8 -19.454 -11.065 2.697 1.00 73.15 H new ATOM 0 HG3 GLN A 8 -20.071 -12.386 3.670 1.00 73.15 H new ATOM 0 HE21 GLN A 8 -18.902 -9.121 3.764 1.00 23.44 H new ATOM 0 HE22 GLN A 8 -18.776 -8.978 5.520 1.00 23.44 H new ATOM 107 N LYS A 9 -14.867 -12.924 3.631 1.00 54.03 N ATOM 108 CA LYS A 9 -13.659 -13.142 4.433 1.00 31.31 C ATOM 109 C LYS A 9 -12.612 -12.101 4.085 1.00 71.23 C ATOM 110 O LYS A 9 -12.073 -11.463 4.980 1.00 2.24 O ATOM 111 CB LYS A 9 -13.069 -14.537 4.208 1.00 54.31 C ATOM 112 CG LYS A 9 -13.995 -15.680 4.605 1.00 72.00 C ATOM 113 CD LYS A 9 -14.411 -15.649 6.086 1.00 23.34 C ATOM 114 CE LYS A 9 -15.215 -16.897 6.459 1.00 1.24 C ATOM 115 NZ LYS A 9 -15.768 -16.817 7.830 1.00 21.22 N1+ ATOM 0 H LYS A 9 -15.103 -13.691 3.001 1.00 54.03 H new ATOM 0 HA LYS A 9 -13.945 -13.056 5.481 1.00 31.31 H new ATOM 0 HB2 LYS A 9 -12.810 -14.644 3.155 1.00 54.31 H new ATOM 0 HB3 LYS A 9 -12.142 -14.622 4.775 1.00 54.31 H new ATOM 0 HG2 LYS A 9 -14.890 -15.644 3.984 1.00 72.00 H new ATOM 0 HG3 LYS A 9 -13.499 -16.628 4.395 1.00 72.00 H new ATOM 0 HD2 LYS A 9 -13.523 -15.583 6.715 1.00 23.34 H new ATOM 0 HD3 LYS A 9 -15.007 -14.757 6.281 1.00 23.34 H new ATOM 0 HE2 LYS A 9 -16.030 -17.028 5.747 1.00 1.24 H new ATOM 0 HE3 LYS A 9 -14.576 -17.776 6.377 1.00 1.24 H new ATOM 0 HZ1 LYS A 9 -16.304 -17.683 8.039 1.00 21.22 H new ATOM 0 HZ2 LYS A 9 -14.990 -16.718 8.513 1.00 21.22 H new ATOM 0 HZ3 LYS A 9 -16.399 -15.993 7.902 1.00 21.22 H new ATOM 129 N THR A 10 -12.327 -11.952 2.799 1.00 74.25 N ATOM 130 CA THR A 10 -11.316 -11.050 2.265 1.00 13.54 C ATOM 131 C THR A 10 -11.477 -9.636 2.848 1.00 52.52 C ATOM 132 O THR A 10 -10.513 -9.072 3.361 1.00 61.23 O ATOM 133 CB THR A 10 -11.402 -11.053 0.728 1.00 0.01 C ATOM 134 OG1 THR A 10 -11.826 -12.314 0.234 1.00 34.44 O ATOM 135 CG2 THR A 10 -10.049 -10.727 0.098 1.00 21.15 C ATOM 0 H THR A 10 -12.812 -12.476 2.071 1.00 74.25 H new ATOM 0 HA THR A 10 -10.325 -11.396 2.558 1.00 13.54 H new ATOM 0 HB THR A 10 -12.131 -10.289 0.458 1.00 0.01 H new ATOM 0 HG1 THR A 10 -11.872 -12.283 -0.744 1.00 34.44 H new ATOM 0 HG21 THR A 10 -10.142 -10.737 -0.988 1.00 21.15 H new ATOM 0 HG22 THR A 10 -9.723 -9.740 0.426 1.00 21.15 H new ATOM 0 HG23 THR A 10 -9.315 -11.472 0.406 1.00 21.15 H new ATOM 143 N PHE A 11 -12.695 -9.092 2.823 1.00 2.31 N ATOM 144 CA PHE A 11 -13.061 -7.785 3.358 1.00 54.43 C ATOM 145 C PHE A 11 -12.898 -7.728 4.881 1.00 2.41 C ATOM 146 O PHE A 11 -12.459 -6.737 5.458 1.00 32.02 O ATOM 147 CB PHE A 11 -14.517 -7.525 2.968 1.00 25.32 C ATOM 148 CG PHE A 11 -15.025 -6.122 3.255 1.00 64.11 C ATOM 149 CD1 PHE A 11 -14.399 -4.999 2.676 1.00 32.05 C ATOM 150 CD2 PHE A 11 -16.120 -5.936 4.122 1.00 71.24 C ATOM 151 CE1 PHE A 11 -14.861 -3.705 2.979 1.00 20.31 C ATOM 152 CE2 PHE A 11 -16.583 -4.643 4.415 1.00 72.32 C ATOM 153 CZ PHE A 11 -15.945 -3.526 3.851 1.00 65.24 C ATOM 0 H PHE A 11 -13.490 -9.577 2.408 1.00 2.31 H new ATOM 0 HA PHE A 11 -12.402 -7.021 2.946 1.00 54.43 H new ATOM 0 HB2 PHE A 11 -14.632 -7.724 1.903 1.00 25.32 H new ATOM 0 HB3 PHE A 11 -15.150 -8.238 3.496 1.00 25.32 H new ATOM 0 HD1 PHE A 11 -13.566 -5.132 2.001 1.00 32.05 H new ATOM 0 HD2 PHE A 11 -16.606 -6.793 4.564 1.00 71.24 H new ATOM 0 HE1 PHE A 11 -14.379 -2.845 2.538 1.00 20.31 H new ATOM 0 HE2 PHE A 11 -17.429 -4.508 5.073 1.00 72.32 H new ATOM 0 HZ PHE A 11 -16.289 -2.530 4.089 1.00 65.24 H new ATOM 163 N SER A 12 -13.232 -8.824 5.551 1.00 52.41 N ATOM 164 CA SER A 12 -13.012 -8.952 6.987 1.00 3.30 C ATOM 165 C SER A 12 -11.522 -9.122 7.354 1.00 51.11 C ATOM 166 O SER A 12 -11.157 -8.949 8.518 1.00 3.04 O ATOM 167 CB SER A 12 -13.869 -10.103 7.528 1.00 34.53 C ATOM 168 OG SER A 12 -15.203 -10.008 7.047 1.00 33.32 O ATOM 0 H SER A 12 -13.660 -9.643 5.119 1.00 52.41 H new ATOM 0 HA SER A 12 -13.320 -8.021 7.462 1.00 3.30 H new ATOM 0 HB2 SER A 12 -13.436 -11.057 7.227 1.00 34.53 H new ATOM 0 HB3 SER A 12 -13.868 -10.082 8.618 1.00 34.53 H new ATOM 0 HG SER A 12 -15.241 -10.330 6.122 1.00 33.32 H new ATOM 174 N ILE A 13 -10.653 -9.489 6.408 1.00 45.32 N ATOM 175 CA ILE A 13 -9.230 -9.752 6.621 1.00 14.50 C ATOM 176 C ILE A 13 -8.422 -8.487 6.323 1.00 34.12 C ATOM 177 O ILE A 13 -7.528 -8.155 7.103 1.00 34.35 O ATOM 178 CB ILE A 13 -8.785 -10.983 5.794 1.00 15.23 C ATOM 179 CG1 ILE A 13 -9.323 -12.279 6.438 1.00 24.34 C ATOM 180 CG2 ILE A 13 -7.254 -11.077 5.689 1.00 52.31 C ATOM 181 CD1 ILE A 13 -9.305 -13.494 5.498 1.00 3.22 C ATOM 0 H ILE A 13 -10.934 -9.616 5.436 1.00 45.32 H new ATOM 0 HA ILE A 13 -9.042 -10.004 7.665 1.00 14.50 H new ATOM 0 HB ILE A 13 -9.194 -10.863 4.791 1.00 15.23 H new ATOM 0 HG12 ILE A 13 -8.729 -12.507 7.323 1.00 24.34 H new ATOM 0 HG13 ILE A 13 -10.345 -12.108 6.776 1.00 24.34 H new ATOM 0 HG21 ILE A 13 -6.983 -11.954 5.101 1.00 52.31 H new ATOM 0 HG22 ILE A 13 -6.867 -10.181 5.204 1.00 52.31 H new ATOM 0 HG23 ILE A 13 -6.825 -11.163 6.688 1.00 52.31 H new ATOM 0 HD11 ILE A 13 -9.698 -14.365 6.022 1.00 3.22 H new ATOM 0 HD12 ILE A 13 -9.923 -13.287 4.624 1.00 3.22 H new ATOM 0 HD13 ILE A 13 -8.282 -13.693 5.180 1.00 3.22 H new ATOM 193 N CYS A 14 -8.718 -7.749 5.246 1.00 42.43 N ATOM 194 CA CYS A 14 -7.977 -6.532 4.896 1.00 71.02 C ATOM 195 C CYS A 14 -7.977 -5.522 6.055 1.00 75.44 C ATOM 196 O CYS A 14 -6.952 -4.927 6.403 1.00 53.24 O ATOM 197 CB CYS A 14 -8.552 -5.917 3.607 1.00 61.45 C ATOM 198 SG CYS A 14 -10.325 -5.587 3.714 1.00 44.54 S ATOM 0 H CYS A 14 -9.472 -7.977 4.598 1.00 42.43 H new ATOM 0 HA CYS A 14 -6.937 -6.801 4.712 1.00 71.02 H new ATOM 0 HB2 CYS A 14 -8.027 -4.987 3.389 1.00 61.45 H new ATOM 0 HB3 CYS A 14 -8.363 -6.593 2.773 1.00 61.45 H new ATOM 0 HG CYS A 14 -10.543 -4.321 3.516 1.00 44.54 H new ATOM 204 N LYS A 15 -9.148 -5.380 6.678 1.00 61.20 N ATOM 205 CA LYS A 15 -9.418 -4.509 7.812 1.00 71.41 C ATOM 206 C LYS A 15 -8.539 -4.844 9.023 1.00 64.32 C ATOM 207 O LYS A 15 -8.294 -3.961 9.847 1.00 53.44 O ATOM 208 CB LYS A 15 -10.922 -4.638 8.129 1.00 2.12 C ATOM 209 CG LYS A 15 -11.600 -3.324 8.544 1.00 72.43 C ATOM 210 CD LYS A 15 -13.122 -3.510 8.443 1.00 54.23 C ATOM 211 CE LYS A 15 -13.884 -2.215 8.732 1.00 22.04 C ATOM 212 NZ LYS A 15 -15.338 -2.391 8.541 1.00 53.52 N1+ ATOM 0 H LYS A 15 -9.975 -5.900 6.385 1.00 61.20 H new ATOM 0 HA LYS A 15 -9.170 -3.477 7.565 1.00 71.41 H new ATOM 0 HB2 LYS A 15 -11.433 -5.034 7.251 1.00 2.12 H new ATOM 0 HB3 LYS A 15 -11.051 -5.367 8.929 1.00 2.12 H new ATOM 0 HG2 LYS A 15 -11.317 -3.057 9.562 1.00 72.43 H new ATOM 0 HG3 LYS A 15 -11.274 -2.509 7.898 1.00 72.43 H new ATOM 0 HD2 LYS A 15 -13.377 -3.864 7.444 1.00 54.23 H new ATOM 0 HD3 LYS A 15 -13.439 -4.281 9.146 1.00 54.23 H new ATOM 0 HE2 LYS A 15 -13.686 -1.895 9.755 1.00 22.04 H new ATOM 0 HE3 LYS A 15 -13.522 -1.424 8.075 1.00 22.04 H new ATOM 0 HZ1 LYS A 15 -15.826 -1.495 8.745 1.00 53.52 H new ATOM 0 HZ2 LYS A 15 -15.527 -2.673 7.558 1.00 53.52 H new ATOM 0 HZ3 LYS A 15 -15.686 -3.129 9.186 1.00 53.52 H new ATOM 226 N GLU A 16 -8.052 -6.086 9.139 1.00 32.01 N ATOM 227 CA GLU A 16 -7.108 -6.501 10.176 1.00 34.41 C ATOM 228 C GLU A 16 -5.663 -6.412 9.695 1.00 35.03 C ATOM 229 O GLU A 16 -4.782 -6.174 10.516 1.00 3.44 O ATOM 230 CB GLU A 16 -7.397 -7.949 10.612 1.00 11.31 C ATOM 231 CG GLU A 16 -8.546 -8.075 11.615 1.00 11.31 C ATOM 232 CD GLU A 16 -8.351 -7.164 12.824 1.00 44.31 C ATOM 233 OE1 GLU A 16 -7.410 -7.365 13.623 1.00 73.22 O ATOM 234 OE2 GLU A 16 -9.111 -6.174 12.905 1.00 55.10 O1- ATOM 0 H GLU A 16 -8.309 -6.841 8.503 1.00 32.01 H new ATOM 0 HA GLU A 16 -7.238 -5.821 11.018 1.00 34.41 H new ATOM 0 HB2 GLU A 16 -7.631 -8.544 9.729 1.00 11.31 H new ATOM 0 HB3 GLU A 16 -6.495 -8.373 11.053 1.00 11.31 H new ATOM 0 HG2 GLU A 16 -9.486 -7.828 11.122 1.00 11.31 H new ATOM 0 HG3 GLU A 16 -8.624 -9.110 11.949 1.00 11.31 H new ATOM 241 N ARG A 17 -5.385 -6.576 8.394 1.00 63.14 N ATOM 242 CA ARG A 17 -4.022 -6.394 7.892 1.00 23.14 C ATOM 243 C ARG A 17 -3.573 -4.955 8.147 1.00 53.13 C ATOM 244 O ARG A 17 -2.524 -4.741 8.746 1.00 22.52 O ATOM 245 CB ARG A 17 -3.905 -6.765 6.399 1.00 51.25 C ATOM 246 CG ARG A 17 -3.361 -8.184 6.199 1.00 12.51 C ATOM 247 CD ARG A 17 -4.349 -9.300 6.568 1.00 23.13 C ATOM 248 NE ARG A 17 -3.652 -10.556 6.898 1.00 4.42 N ATOM 249 CZ ARG A 17 -2.977 -10.775 8.035 1.00 41.23 C ATOM 250 NH1 ARG A 17 -3.018 -9.898 9.032 1.00 10.31 N1+ ATOM 251 NH2 ARG A 17 -2.236 -11.859 8.180 1.00 54.34 N ATOM 0 H ARG A 17 -6.073 -6.829 7.685 1.00 63.14 H new ATOM 0 HA ARG A 17 -3.361 -7.073 8.431 1.00 23.14 H new ATOM 0 HB2 ARG A 17 -4.884 -6.683 5.928 1.00 51.25 H new ATOM 0 HB3 ARG A 17 -3.250 -6.052 5.899 1.00 51.25 H new ATOM 0 HG2 ARG A 17 -3.069 -8.304 5.156 1.00 12.51 H new ATOM 0 HG3 ARG A 17 -2.458 -8.302 6.798 1.00 12.51 H new ATOM 0 HD2 ARG A 17 -4.954 -8.985 7.418 1.00 23.13 H new ATOM 0 HD3 ARG A 17 -5.033 -9.471 5.737 1.00 23.13 H new ATOM 0 HE ARG A 17 -3.686 -11.311 6.213 1.00 4.42 H new ATOM 0 HH11 ARG A 17 -3.568 -9.044 8.938 1.00 10.31 H new ATOM 0 HH12 ARG A 17 -2.499 -10.078 9.891 1.00 10.31 H new ATOM 0 HH21 ARG A 17 -2.173 -12.539 7.422 1.00 54.34 H new ATOM 0 HH22 ARG A 17 -1.726 -12.016 9.050 1.00 54.34 H new ATOM 265 N MET A 18 -4.367 -3.977 7.720 1.00 71.35 N ATOM 266 CA MET A 18 -3.987 -2.570 7.650 1.00 21.12 C ATOM 267 C MET A 18 -4.020 -1.834 9.004 1.00 10.24 C ATOM 268 O MET A 18 -4.359 -0.660 9.066 1.00 60.01 O ATOM 269 CB MET A 18 -4.882 -1.912 6.589 1.00 35.41 C ATOM 270 CG MET A 18 -4.200 -1.853 5.225 1.00 63.51 C ATOM 271 SD MET A 18 -3.746 -3.444 4.489 1.00 62.02 S ATOM 272 CE MET A 18 -1.994 -3.090 4.206 1.00 72.55 C ATOM 0 H MET A 18 -5.322 -4.147 7.404 1.00 71.35 H new ATOM 0 HA MET A 18 -2.938 -2.499 7.364 1.00 21.12 H new ATOM 0 HB2 MET A 18 -5.815 -2.470 6.505 1.00 35.41 H new ATOM 0 HB3 MET A 18 -5.142 -0.903 6.909 1.00 35.41 H new ATOM 0 HG2 MET A 18 -4.862 -1.332 4.533 1.00 63.51 H new ATOM 0 HG3 MET A 18 -3.298 -1.249 5.319 1.00 63.51 H new ATOM 0 HE1 MET A 18 -1.453 -4.025 4.057 1.00 72.55 H new ATOM 0 HE2 MET A 18 -1.888 -2.464 3.320 1.00 72.55 H new ATOM 0 HE3 MET A 18 -1.584 -2.567 5.070 1.00 72.55 H new ATOM 282 N ARG A 19 -3.685 -2.482 10.114 1.00 70.53 N ATOM 283 CA ARG A 19 -3.729 -1.889 11.451 1.00 32.31 C ATOM 284 C ARG A 19 -2.532 -0.972 11.675 1.00 1.35 C ATOM 285 O ARG A 19 -2.747 0.212 11.953 1.00 33.22 O ATOM 286 CB ARG A 19 -3.797 -2.975 12.535 1.00 55.31 C ATOM 287 CG ARG A 19 -5.162 -3.664 12.581 1.00 70.22 C ATOM 288 CD ARG A 19 -5.149 -4.751 13.663 1.00 11.33 C ATOM 289 NE ARG A 19 -5.434 -4.157 14.980 1.00 22.22 N ATOM 290 CZ ARG A 19 -6.594 -4.239 15.640 1.00 44.22 C ATOM 291 NH1 ARG A 19 -7.538 -5.094 15.268 1.00 3.14 N1+ ATOM 292 NH2 ARG A 19 -6.828 -3.455 16.687 1.00 44.53 N ATOM 0 H ARG A 19 -3.369 -3.452 10.113 1.00 70.53 H new ATOM 0 HA ARG A 19 -4.636 -1.288 11.523 1.00 32.31 H new ATOM 0 HB2 ARG A 19 -3.023 -3.719 12.350 1.00 55.31 H new ATOM 0 HB3 ARG A 19 -3.584 -2.529 13.507 1.00 55.31 H new ATOM 0 HG2 ARG A 19 -5.943 -2.934 12.793 1.00 70.22 H new ATOM 0 HG3 ARG A 19 -5.392 -4.104 11.611 1.00 70.22 H new ATOM 0 HD2 ARG A 19 -5.892 -5.515 13.431 1.00 11.33 H new ATOM 0 HD3 ARG A 19 -4.178 -5.246 13.681 1.00 11.33 H new ATOM 0 HE ARG A 19 -4.680 -3.637 15.428 1.00 22.22 H new ATOM 0 HH11 ARG A 19 -7.386 -5.704 14.465 1.00 3.14 H new ATOM 0 HH12 ARG A 19 -8.416 -5.141 15.785 1.00 3.14 H new ATOM 0 HH21 ARG A 19 -6.121 -2.786 16.991 1.00 44.53 H new ATOM 0 HH22 ARG A 19 -7.715 -3.522 17.186 1.00 44.53 H new ATOM 306 N PRO A 20 -1.279 -1.453 11.543 1.00 55.23 N ATOM 307 CA PRO A 20 -0.114 -0.632 11.845 1.00 5.31 C ATOM 308 C PRO A 20 -0.074 0.604 10.952 1.00 5.24 C ATOM 309 O PRO A 20 0.201 1.709 11.419 1.00 22.40 O ATOM 310 CB PRO A 20 1.093 -1.545 11.624 1.00 24.21 C ATOM 311 CG PRO A 20 0.609 -2.634 10.692 1.00 41.52 C ATOM 312 CD PRO A 20 -0.840 -2.780 11.109 1.00 62.13 C ATOM 0 HA PRO A 20 -0.131 -0.251 12.866 1.00 5.31 H new ATOM 0 HB2 PRO A 20 1.926 -0.995 11.186 1.00 24.21 H new ATOM 0 HB3 PRO A 20 1.447 -1.963 12.566 1.00 24.21 H new ATOM 0 HG2 PRO A 20 0.706 -2.348 9.645 1.00 41.52 H new ATOM 0 HG3 PRO A 20 1.167 -3.561 10.822 1.00 41.52 H new ATOM 0 HD2 PRO A 20 -1.449 -3.139 10.279 1.00 62.13 H new ATOM 0 HD3 PRO A 20 -0.941 -3.506 11.916 1.00 62.13 H new ATOM 320 N VAL A 21 -0.433 0.428 9.684 1.00 53.43 N ATOM 321 CA VAL A 21 -0.427 1.462 8.666 1.00 65.33 C ATOM 322 C VAL A 21 -1.789 2.160 8.521 1.00 34.13 C ATOM 323 O VAL A 21 -2.008 2.866 7.540 1.00 65.24 O ATOM 324 CB VAL A 21 0.098 0.868 7.339 1.00 4.30 C ATOM 325 CG1 VAL A 21 1.565 0.454 7.509 1.00 52.03 C ATOM 326 CG2 VAL A 21 -0.714 -0.331 6.817 1.00 41.14 C ATOM 0 H VAL A 21 -0.747 -0.475 9.328 1.00 53.43 H new ATOM 0 HA VAL A 21 0.253 2.256 8.976 1.00 65.33 H new ATOM 0 HB VAL A 21 -0.008 1.655 6.593 1.00 4.30 H new ATOM 0 HG11 VAL A 21 1.936 0.035 6.573 1.00 52.03 H new ATOM 0 HG12 VAL A 21 2.161 1.327 7.777 1.00 52.03 H new ATOM 0 HG13 VAL A 21 1.643 -0.294 8.298 1.00 52.03 H new ATOM 0 HG21 VAL A 21 -0.279 -0.686 5.883 1.00 41.14 H new ATOM 0 HG22 VAL A 21 -0.694 -1.133 7.555 1.00 41.14 H new ATOM 0 HG23 VAL A 21 -1.745 -0.024 6.643 1.00 41.14 H new ATOM 336 N LYS A 22 -2.733 2.009 9.456 1.00 4.01 N ATOM 337 CA LYS A 22 -4.037 2.639 9.378 1.00 52.15 C ATOM 338 C LYS A 22 -3.916 4.149 9.224 1.00 32.24 C ATOM 339 O LYS A 22 -4.469 4.679 8.267 1.00 35.14 O ATOM 340 CB LYS A 22 -4.884 2.258 10.597 1.00 14.31 C ATOM 341 CG LYS A 22 -6.256 2.932 10.499 1.00 51.24 C ATOM 342 CD LYS A 22 -7.282 2.361 11.479 1.00 4.42 C ATOM 343 CE LYS A 22 -6.769 2.444 12.918 1.00 30.13 C ATOM 344 NZ LYS A 22 -7.727 1.909 13.901 1.00 62.13 N1+ ATOM 0 H LYS A 22 -2.603 1.439 10.292 1.00 4.01 H new ATOM 0 HA LYS A 22 -4.545 2.271 8.486 1.00 52.15 H new ATOM 0 HB2 LYS A 22 -5.002 1.176 10.647 1.00 14.31 H new ATOM 0 HB3 LYS A 22 -4.381 2.566 11.513 1.00 14.31 H new ATOM 0 HG2 LYS A 22 -6.142 4.000 10.684 1.00 51.24 H new ATOM 0 HG3 LYS A 22 -6.635 2.823 9.483 1.00 51.24 H new ATOM 0 HD2 LYS A 22 -8.219 2.910 11.391 1.00 4.42 H new ATOM 0 HD3 LYS A 22 -7.495 1.323 11.224 1.00 4.42 H new ATOM 0 HE2 LYS A 22 -5.831 1.894 12.996 1.00 30.13 H new ATOM 0 HE3 LYS A 22 -6.550 3.484 13.161 1.00 30.13 H new ATOM 0 HZ1 LYS A 22 -7.326 1.991 14.857 1.00 62.13 H new ATOM 0 HZ2 LYS A 22 -8.614 2.449 13.850 1.00 62.13 H new ATOM 0 HZ3 LYS A 22 -7.918 0.909 13.691 1.00 62.13 H new ATOM 358 N ALA A 23 -3.213 4.845 10.121 1.00 3.10 N ATOM 359 CA ALA A 23 -3.056 6.291 10.015 1.00 60.23 C ATOM 360 C ALA A 23 -2.354 6.681 8.713 1.00 22.25 C ATOM 361 O ALA A 23 -2.617 7.747 8.163 1.00 61.41 O ATOM 362 CB ALA A 23 -2.263 6.828 11.208 1.00 13.54 C ATOM 0 H ALA A 23 -2.746 4.428 10.926 1.00 3.10 H new ATOM 0 HA ALA A 23 -4.052 6.733 10.013 1.00 60.23 H new ATOM 0 HB1 ALA A 23 -2.154 7.909 11.115 1.00 13.54 H new ATOM 0 HB2 ALA A 23 -2.793 6.595 12.132 1.00 13.54 H new ATOM 0 HB3 ALA A 23 -1.277 6.364 11.228 1.00 13.54 H new ATOM 368 N ALA A 24 -1.439 5.842 8.224 1.00 33.30 N ATOM 369 CA ALA A 24 -0.758 6.069 6.962 1.00 54.32 C ATOM 370 C ALA A 24 -1.786 6.022 5.825 1.00 25.33 C ATOM 371 O ALA A 24 -1.993 7.004 5.127 1.00 41.25 O ATOM 372 CB ALA A 24 0.386 5.058 6.802 1.00 1.31 C ATOM 0 H ALA A 24 -1.153 4.985 8.699 1.00 33.30 H new ATOM 0 HA ALA A 24 -0.298 7.057 6.934 1.00 54.32 H new ATOM 0 HB1 ALA A 24 0.895 5.231 5.854 1.00 1.31 H new ATOM 0 HB2 ALA A 24 1.095 5.178 7.621 1.00 1.31 H new ATOM 0 HB3 ALA A 24 -0.018 4.046 6.817 1.00 1.31 H new ATOM 378 N LEU A 25 -2.489 4.902 5.659 1.00 62.25 N ATOM 379 CA LEU A 25 -3.492 4.730 4.613 1.00 63.42 C ATOM 380 C LEU A 25 -4.594 5.790 4.718 1.00 64.02 C ATOM 381 O LEU A 25 -5.023 6.330 3.702 1.00 34.33 O ATOM 382 CB LEU A 25 -3.981 3.268 4.598 1.00 1.32 C ATOM 383 CG LEU A 25 -5.337 2.963 5.266 1.00 2.24 C ATOM 384 CD1 LEU A 25 -6.513 3.209 4.315 1.00 2.21 C ATOM 385 CD2 LEU A 25 -5.384 1.493 5.676 1.00 60.44 C ATOM 0 H LEU A 25 -2.376 4.081 6.254 1.00 62.25 H new ATOM 0 HA LEU A 25 -3.051 4.906 3.632 1.00 63.42 H new ATOM 0 HB2 LEU A 25 -4.037 2.943 3.559 1.00 1.32 H new ATOM 0 HB3 LEU A 25 -3.222 2.655 5.083 1.00 1.32 H new ATOM 0 HG LEU A 25 -5.426 3.626 6.127 1.00 2.24 H new ATOM 0 HD11 LEU A 25 -7.448 2.982 4.827 1.00 2.21 H new ATOM 0 HD12 LEU A 25 -6.515 4.253 4.002 1.00 2.21 H new ATOM 0 HD13 LEU A 25 -6.413 2.568 3.439 1.00 2.21 H new ATOM 0 HD21 LEU A 25 -6.342 1.277 6.148 1.00 60.44 H new ATOM 0 HD22 LEU A 25 -5.265 0.865 4.793 1.00 60.44 H new ATOM 0 HD23 LEU A 25 -4.578 1.286 6.380 1.00 60.44 H new ATOM 397 N LYS A 26 -5.035 6.136 5.932 1.00 54.00 N ATOM 398 CA LYS A 26 -6.011 7.195 6.133 1.00 74.52 C ATOM 399 C LYS A 26 -5.462 8.545 5.713 1.00 13.22 C ATOM 400 O LYS A 26 -6.228 9.353 5.210 1.00 65.43 O ATOM 401 CB LYS A 26 -6.497 7.252 7.582 1.00 21.25 C ATOM 402 CG LYS A 26 -7.508 6.143 7.896 1.00 45.03 C ATOM 403 CD LYS A 26 -8.250 6.493 9.190 1.00 54.44 C ATOM 404 CE LYS A 26 -9.230 5.413 9.660 1.00 30.32 C ATOM 405 NZ LYS A 26 -10.189 5.010 8.608 1.00 3.34 N1+ ATOM 0 H LYS A 26 -4.723 5.689 6.794 1.00 54.00 H new ATOM 0 HA LYS A 26 -6.864 6.957 5.498 1.00 74.52 H new ATOM 0 HB2 LYS A 26 -5.643 7.164 8.254 1.00 21.25 H new ATOM 0 HB3 LYS A 26 -6.954 8.223 7.773 1.00 21.25 H new ATOM 0 HG2 LYS A 26 -8.216 6.036 7.074 1.00 45.03 H new ATOM 0 HG3 LYS A 26 -6.996 5.187 8.003 1.00 45.03 H new ATOM 0 HD2 LYS A 26 -7.519 6.673 9.978 1.00 54.44 H new ATOM 0 HD3 LYS A 26 -8.796 7.425 9.043 1.00 54.44 H new ATOM 0 HE2 LYS A 26 -8.669 4.538 9.988 1.00 30.32 H new ATOM 0 HE3 LYS A 26 -9.781 5.781 10.525 1.00 30.32 H new ATOM 0 HZ1 LYS A 26 -10.879 4.341 9.005 1.00 3.34 H new ATOM 0 HZ2 LYS A 26 -10.687 5.851 8.252 1.00 3.34 H new ATOM 0 HZ3 LYS A 26 -9.676 4.554 7.827 1.00 3.34 H new ATOM 419 N GLN A 27 -4.170 8.805 5.870 1.00 44.31 N ATOM 420 CA GLN A 27 -3.578 10.012 5.305 1.00 45.20 C ATOM 421 C GLN A 27 -3.520 10.029 3.781 1.00 75.11 C ATOM 422 O GLN A 27 -3.347 11.115 3.244 1.00 3.23 O ATOM 423 CB GLN A 27 -2.196 10.287 5.901 1.00 63.33 C ATOM 424 CG GLN A 27 -2.392 10.985 7.249 1.00 62.13 C ATOM 425 CD GLN A 27 -1.083 11.480 7.838 1.00 71.01 C ATOM 426 OE1 GLN A 27 -0.915 11.423 9.151 1.00 33.44 O flip ATOM 427 NE2 GLN A 27 -0.209 11.923 7.112 1.00 1.20 N flip ATOM 0 H GLN A 27 -3.519 8.205 6.377 1.00 44.31 H new ATOM 0 HA GLN A 27 -4.256 10.818 5.586 1.00 45.20 H new ATOM 0 HB2 GLN A 27 -1.645 9.356 6.031 1.00 63.33 H new ATOM 0 HB3 GLN A 27 -1.609 10.914 5.229 1.00 63.33 H new ATOM 0 HG2 GLN A 27 -3.073 11.827 7.124 1.00 62.13 H new ATOM 0 HG3 GLN A 27 -2.864 10.294 7.948 1.00 62.13 H new ATOM 0 HE21 GLN A 27 -0.354 11.960 6.103 1.00 1.20 H new ATOM 0 HE22 GLN A 27 0.667 12.257 7.514 1.00 1.20 H new ATOM 436 N LEU A 28 -3.695 8.916 3.068 1.00 32.11 N ATOM 437 CA LEU A 28 -3.850 8.963 1.617 1.00 1.43 C ATOM 438 C LEU A 28 -5.312 9.223 1.222 1.00 13.42 C ATOM 439 O LEU A 28 -5.567 9.633 0.090 1.00 2.11 O ATOM 440 CB LEU A 28 -3.286 7.686 0.974 1.00 33.02 C ATOM 441 CG LEU A 28 -1.802 7.780 0.583 1.00 3.21 C ATOM 442 CD1 LEU A 28 -0.908 8.014 1.802 1.00 34.30 C ATOM 443 CD2 LEU A 28 -1.382 6.477 -0.111 1.00 62.12 C ATOM 0 H LEU A 28 -3.733 7.979 3.469 1.00 32.11 H new ATOM 0 HA LEU A 28 -3.271 9.802 1.232 1.00 1.43 H new ATOM 0 HB2 LEU A 28 -3.415 6.856 1.668 1.00 33.02 H new ATOM 0 HB3 LEU A 28 -3.871 7.452 0.084 1.00 33.02 H new ATOM 0 HG LEU A 28 -1.682 8.630 -0.089 1.00 3.21 H new ATOM 0 HD11 LEU A 28 0.133 8.075 1.484 1.00 34.30 H new ATOM 0 HD12 LEU A 28 -1.193 8.947 2.289 1.00 34.30 H new ATOM 0 HD13 LEU A 28 -1.025 7.188 2.503 1.00 34.30 H new ATOM 0 HD21 LEU A 28 -0.330 6.537 -0.391 1.00 62.12 H new ATOM 0 HD22 LEU A 28 -1.529 5.638 0.570 1.00 62.12 H new ATOM 0 HD23 LEU A 28 -1.988 6.329 -1.005 1.00 62.12 H new ATOM 455 N ASP A 29 -6.263 8.998 2.132 1.00 4.35 N ATOM 456 CA ASP A 29 -7.691 9.345 2.046 1.00 23.20 C ATOM 457 C ASP A 29 -7.909 10.806 2.473 1.00 70.54 C ATOM 458 O ASP A 29 -8.719 11.517 1.876 1.00 54.23 O ATOM 459 CB ASP A 29 -8.456 8.317 2.914 1.00 44.14 C ATOM 460 CG ASP A 29 -9.887 8.620 3.401 1.00 22.52 C ATOM 461 OD1 ASP A 29 -10.666 9.354 2.752 1.00 42.44 O ATOM 462 OD2 ASP A 29 -10.283 8.026 4.439 1.00 31.42 O1- ATOM 0 H ASP A 29 -6.043 8.535 3.014 1.00 4.35 H new ATOM 0 HA ASP A 29 -8.071 9.288 1.026 1.00 23.20 H new ATOM 0 HB2 ASP A 29 -8.498 7.386 2.349 1.00 44.14 H new ATOM 0 HB3 ASP A 29 -7.848 8.126 3.798 1.00 44.14 H new ATOM 467 N ARG A 30 -7.147 11.284 3.468 1.00 1.15 N ATOM 468 CA ARG A 30 -7.183 12.643 4.012 1.00 60.23 C ATOM 469 C ARG A 30 -5.788 13.108 4.478 1.00 21.12 C ATOM 470 O ARG A 30 -5.517 13.053 5.688 1.00 42.23 O ATOM 471 CB ARG A 30 -8.184 12.710 5.185 1.00 12.30 C ATOM 472 CG ARG A 30 -9.629 12.390 4.788 1.00 32.22 C ATOM 473 CD ARG A 30 -10.620 12.985 5.789 1.00 61.42 C ATOM 474 NE ARG A 30 -10.614 12.313 7.101 1.00 74.33 N ATOM 475 CZ ARG A 30 -11.653 11.650 7.622 1.00 54.25 C ATOM 476 NH1 ARG A 30 -12.655 11.252 6.852 1.00 2.44 N1+ ATOM 477 NH2 ARG A 30 -11.677 11.416 8.927 1.00 42.22 N ATOM 0 H ARG A 30 -6.454 10.700 3.937 1.00 1.15 H new ATOM 0 HA ARG A 30 -7.506 13.315 3.217 1.00 60.23 H new ATOM 0 HB2 ARG A 30 -7.868 12.012 5.960 1.00 12.30 H new ATOM 0 HB3 ARG A 30 -8.150 13.708 5.622 1.00 12.30 H new ATOM 0 HG2 ARG A 30 -9.832 12.785 3.792 1.00 32.22 H new ATOM 0 HG3 ARG A 30 -9.764 11.310 4.736 1.00 32.22 H new ATOM 0 HD2 ARG A 30 -10.390 14.041 5.931 1.00 61.42 H new ATOM 0 HD3 ARG A 30 -11.624 12.932 5.368 1.00 61.42 H new ATOM 0 HE ARG A 30 -9.756 12.357 7.651 1.00 74.33 H new ATOM 0 HH11 ARG A 30 -12.639 11.450 5.852 1.00 2.44 H new ATOM 0 HH12 ARG A 30 -13.442 10.747 7.260 1.00 2.44 H new ATOM 0 HH21 ARG A 30 -10.911 11.740 9.517 1.00 42.22 H new ATOM 0 HH22 ARG A 30 -12.462 10.912 9.340 1.00 42.22 H new ATOM 491 N PRO A 31 -4.904 13.594 3.593 1.00 42.22 N ATOM 492 CA PRO A 31 -3.637 14.199 4.012 1.00 54.35 C ATOM 493 C PRO A 31 -3.894 15.558 4.681 1.00 4.11 C ATOM 494 O PRO A 31 -5.023 16.061 4.659 1.00 74.21 O ATOM 495 CB PRO A 31 -2.792 14.301 2.738 1.00 32.13 C ATOM 496 CG PRO A 31 -3.832 14.405 1.625 1.00 42.02 C ATOM 497 CD PRO A 31 -5.035 13.615 2.143 1.00 44.54 C ATOM 0 HA PRO A 31 -3.109 13.608 4.761 1.00 54.35 H new ATOM 0 HB2 PRO A 31 -2.139 15.173 2.759 1.00 32.13 H new ATOM 0 HB3 PRO A 31 -2.153 13.427 2.610 1.00 32.13 H new ATOM 0 HG2 PRO A 31 -4.096 15.444 1.426 1.00 42.02 H new ATOM 0 HG3 PRO A 31 -3.456 13.987 0.691 1.00 42.02 H new ATOM 0 HD2 PRO A 31 -5.971 14.086 1.842 1.00 44.54 H new ATOM 0 HD3 PRO A 31 -5.042 12.604 1.737 1.00 44.54 H new ATOM 505 N GLU A 32 -2.880 16.156 5.305 1.00 1.13 N ATOM 506 CA GLU A 32 -2.943 17.435 6.016 1.00 30.44 C ATOM 507 C GLU A 32 -1.726 18.296 5.662 1.00 4.33 C ATOM 508 O GLU A 32 -0.861 17.855 4.907 1.00 30.13 O ATOM 509 CB GLU A 32 -3.039 17.159 7.523 1.00 33.11 C ATOM 510 CG GLU A 32 -1.685 16.822 8.169 1.00 14.44 C ATOM 511 CD GLU A 32 -1.886 16.053 9.472 1.00 31.31 C ATOM 512 OE1 GLU A 32 -2.644 16.532 10.343 1.00 23.13 O1- ATOM 513 OE2 GLU A 32 -1.407 14.898 9.570 1.00 41.22 O ATOM 0 H GLU A 32 -1.948 15.743 5.330 1.00 1.13 H new ATOM 0 HA GLU A 32 -3.827 17.996 5.713 1.00 30.44 H new ATOM 0 HB2 GLU A 32 -3.462 18.033 8.019 1.00 33.11 H new ATOM 0 HB3 GLU A 32 -3.729 16.332 7.690 1.00 33.11 H new ATOM 0 HG2 GLU A 32 -1.085 16.228 7.479 1.00 14.44 H new ATOM 0 HG3 GLU A 32 -1.131 17.740 8.364 1.00 14.44 H new ATOM 520 N LYS A 33 -1.634 19.513 6.213 1.00 52.24 N ATOM 521 CA LYS A 33 -0.671 20.521 5.788 1.00 32.14 C ATOM 522 C LYS A 33 -0.049 21.330 6.919 1.00 2.41 C ATOM 523 O LYS A 33 0.598 22.339 6.648 1.00 0.40 O ATOM 524 CB LYS A 33 -1.283 21.397 4.682 1.00 62.42 C ATOM 525 CG LYS A 33 -2.319 22.394 5.208 1.00 63.41 C ATOM 526 CD LYS A 33 -3.093 23.026 4.049 1.00 51.51 C ATOM 527 CE LYS A 33 -4.177 23.929 4.642 1.00 43.22 C ATOM 528 NZ LYS A 33 -5.428 23.869 3.873 1.00 43.21 N1+ ATOM 0 H LYS A 33 -2.236 19.823 6.975 1.00 52.24 H new ATOM 0 HA LYS A 33 0.183 19.984 5.375 1.00 32.14 H new ATOM 0 HB2 LYS A 33 -0.486 21.943 4.177 1.00 62.42 H new ATOM 0 HB3 LYS A 33 -1.752 20.755 3.936 1.00 62.42 H new ATOM 0 HG2 LYS A 33 -3.011 21.887 5.881 1.00 63.41 H new ATOM 0 HG3 LYS A 33 -1.822 23.172 5.788 1.00 63.41 H new ATOM 0 HD2 LYS A 33 -2.422 23.603 3.412 1.00 51.51 H new ATOM 0 HD3 LYS A 33 -3.540 22.254 3.423 1.00 51.51 H new ATOM 0 HE2 LYS A 33 -4.371 23.633 5.673 1.00 43.22 H new ATOM 0 HE3 LYS A 33 -3.817 24.958 4.668 1.00 43.22 H new ATOM 0 HZ1 LYS A 33 -6.134 24.495 4.310 1.00 43.21 H new ATOM 0 HZ2 LYS A 33 -5.250 24.176 2.896 1.00 43.21 H new ATOM 0 HZ3 LYS A 33 -5.787 22.893 3.869 1.00 43.21 H new ATOM 542 N GLY A 34 -0.207 20.928 8.179 1.00 62.23 N ATOM 543 CA GLY A 34 0.236 21.717 9.324 1.00 43.33 C ATOM 544 C GLY A 34 1.757 21.839 9.499 1.00 1.12 C ATOM 545 O GLY A 34 2.174 22.346 10.539 1.00 35.04 O ATOM 0 H GLY A 34 -0.647 20.044 8.434 1.00 62.23 H new ATOM 0 HA2 GLY A 34 -0.183 22.719 9.235 1.00 43.33 H new ATOM 0 HA3 GLY A 34 -0.181 21.276 10.229 1.00 43.33 H new ATOM 549 N LEU A 35 2.594 21.392 8.552 1.00 20.30 N ATOM 550 CA LEU A 35 4.033 21.228 8.707 1.00 75.01 C ATOM 551 C LEU A 35 4.771 21.997 7.610 1.00 50.32 C ATOM 552 O LEU A 35 4.161 22.690 6.793 1.00 62.14 O ATOM 553 CB LEU A 35 4.367 19.728 8.622 1.00 30.55 C ATOM 554 CG LEU A 35 3.684 18.861 9.694 1.00 75.10 C ATOM 555 CD1 LEU A 35 3.727 17.417 9.206 1.00 74.41 C ATOM 556 CD2 LEU A 35 4.363 19.023 11.055 1.00 10.10 C ATOM 0 H LEU A 35 2.267 21.126 7.623 1.00 20.30 H new ATOM 0 HA LEU A 35 4.350 21.623 9.672 1.00 75.01 H new ATOM 0 HB2 LEU A 35 4.079 19.360 7.637 1.00 30.55 H new ATOM 0 HB3 LEU A 35 5.447 19.604 8.706 1.00 30.55 H new ATOM 0 HG LEU A 35 2.650 19.174 9.837 1.00 75.10 H new ATOM 0 HD11 LEU A 35 3.250 16.770 9.942 1.00 74.41 H new ATOM 0 HD12 LEU A 35 3.198 17.338 8.257 1.00 74.41 H new ATOM 0 HD13 LEU A 35 4.764 17.110 9.070 1.00 74.41 H new ATOM 0 HD21 LEU A 35 3.857 18.398 11.791 1.00 10.10 H new ATOM 0 HD22 LEU A 35 5.408 18.721 10.979 1.00 10.10 H new ATOM 0 HD23 LEU A 35 4.309 20.066 11.367 1.00 10.10 H new ATOM 568 N SER A 36 6.088 21.841 7.596 1.00 13.30 N ATOM 569 CA SER A 36 6.999 22.486 6.668 1.00 21.20 C ATOM 570 C SER A 36 6.873 21.902 5.259 1.00 65.31 C ATOM 571 O SER A 36 6.367 20.801 5.060 1.00 60.15 O ATOM 572 CB SER A 36 8.450 22.374 7.139 1.00 50.44 C ATOM 573 OG SER A 36 8.614 22.678 8.509 1.00 62.23 O ATOM 0 H SER A 36 6.568 21.235 8.261 1.00 13.30 H new ATOM 0 HA SER A 36 6.719 23.539 6.637 1.00 21.20 H new ATOM 0 HB2 SER A 36 8.809 21.362 6.952 1.00 50.44 H new ATOM 0 HB3 SER A 36 9.071 23.047 6.547 1.00 50.44 H new ATOM 0 HG SER A 36 9.559 22.588 8.753 1.00 62.23 H new ATOM 579 N GLU A 37 7.412 22.600 4.266 1.00 43.12 N ATOM 580 CA GLU A 37 7.145 22.353 2.862 1.00 23.33 C ATOM 581 C GLU A 37 7.824 21.093 2.332 1.00 0.42 C ATOM 582 O GLU A 37 7.280 20.438 1.438 1.00 53.05 O ATOM 583 CB GLU A 37 7.683 23.536 2.073 1.00 4.24 C ATOM 584 CG GLU A 37 6.896 24.830 2.287 1.00 51.34 C ATOM 585 CD GLU A 37 7.305 25.897 1.273 1.00 10.03 C ATOM 586 OE1 GLU A 37 8.399 25.790 0.665 1.00 32.52 O1- ATOM 587 OE2 GLU A 37 6.508 26.831 1.039 1.00 20.55 O ATOM 0 H GLU A 37 8.062 23.371 4.423 1.00 43.12 H new ATOM 0 HA GLU A 37 6.069 22.218 2.751 1.00 23.33 H new ATOM 0 HB2 GLU A 37 8.723 23.704 2.352 1.00 4.24 H new ATOM 0 HB3 GLU A 37 7.674 23.287 1.012 1.00 4.24 H new ATOM 0 HG2 GLU A 37 5.828 24.629 2.197 1.00 51.34 H new ATOM 0 HG3 GLU A 37 7.067 25.200 3.298 1.00 51.34 H new ATOM 594 N ARG A 38 9.017 20.756 2.829 1.00 21.15 N ATOM 595 CA ARG A 38 9.649 19.472 2.537 1.00 61.30 C ATOM 596 C ARG A 38 9.175 18.416 3.515 1.00 25.54 C ATOM 597 O ARG A 38 9.082 17.259 3.121 1.00 2.34 O ATOM 598 CB ARG A 38 11.182 19.554 2.598 1.00 12.35 C ATOM 599 CG ARG A 38 11.810 19.259 1.225 1.00 63.40 C ATOM 600 CD ARG A 38 13.347 19.265 1.233 1.00 71.42 C ATOM 601 NE ARG A 38 13.927 17.947 1.582 1.00 64.41 N ATOM 602 CZ ARG A 38 14.708 17.160 0.824 1.00 71.50 C ATOM 603 NH1 ARG A 38 15.107 17.549 -0.385 1.00 14.30 N1+ ATOM 604 NH2 ARG A 38 15.072 15.979 1.301 1.00 51.23 N ATOM 0 H ARG A 38 9.566 21.361 3.440 1.00 21.15 H new ATOM 0 HA ARG A 38 9.360 19.202 1.522 1.00 61.30 H new ATOM 0 HB2 ARG A 38 11.483 20.547 2.933 1.00 12.35 H new ATOM 0 HB3 ARG A 38 11.558 18.842 3.333 1.00 12.35 H new ATOM 0 HG2 ARG A 38 11.461 18.286 0.878 1.00 63.40 H new ATOM 0 HG3 ARG A 38 11.457 19.999 0.507 1.00 63.40 H new ATOM 0 HD2 ARG A 38 13.709 19.567 0.250 1.00 71.42 H new ATOM 0 HD3 ARG A 38 13.699 20.011 1.945 1.00 71.42 H new ATOM 0 HE ARG A 38 13.706 17.594 2.513 1.00 64.41 H new ATOM 0 HH11 ARG A 38 14.820 18.457 -0.749 1.00 14.30 H new ATOM 0 HH12 ARG A 38 15.700 16.939 -0.947 1.00 14.30 H new ATOM 0 HH21 ARG A 38 14.759 15.684 2.226 1.00 51.23 H new ATOM 0 HH22 ARG A 38 15.665 15.364 0.743 1.00 51.23 H new ATOM 618 N GLU A 39 8.838 18.801 4.747 1.00 34.32 N ATOM 619 CA GLU A 39 8.365 17.850 5.742 1.00 22.23 C ATOM 620 C GLU A 39 7.105 17.162 5.253 1.00 4.10 C ATOM 621 O GLU A 39 6.988 15.953 5.416 1.00 34.05 O ATOM 622 CB GLU A 39 8.106 18.524 7.098 1.00 71.25 C ATOM 623 CG GLU A 39 9.396 18.961 7.796 1.00 31.04 C ATOM 624 CD GLU A 39 10.159 17.759 8.363 1.00 75.22 C ATOM 625 OE1 GLU A 39 10.636 16.907 7.579 1.00 73.33 O ATOM 626 OE2 GLU A 39 10.212 17.615 9.601 1.00 14.54 O1- ATOM 0 H GLU A 39 8.885 19.766 5.075 1.00 34.32 H new ATOM 0 HA GLU A 39 9.150 17.107 5.886 1.00 22.23 H new ATOM 0 HB2 GLU A 39 7.465 19.393 6.951 1.00 71.25 H new ATOM 0 HB3 GLU A 39 7.564 17.834 7.744 1.00 71.25 H new ATOM 0 HG2 GLU A 39 10.030 19.496 7.090 1.00 31.04 H new ATOM 0 HG3 GLU A 39 9.158 19.656 8.601 1.00 31.04 H new ATOM 633 N GLN A 40 6.226 17.923 4.598 1.00 75.44 N ATOM 634 CA GLN A 40 5.061 17.468 3.870 1.00 33.21 C ATOM 635 C GLN A 40 5.440 16.353 2.899 1.00 45.12 C ATOM 636 O GLN A 40 4.832 15.286 2.888 1.00 73.12 O ATOM 637 CB GLN A 40 4.515 18.676 3.090 1.00 44.22 C ATOM 638 CG GLN A 40 3.790 19.703 3.966 1.00 34.02 C ATOM 639 CD GLN A 40 2.306 19.433 3.936 1.00 3.44 C ATOM 640 OE1 GLN A 40 1.551 20.140 3.270 1.00 24.20 O ATOM 641 NE2 GLN A 40 1.871 18.373 4.589 1.00 2.34 N ATOM 0 H GLN A 40 6.324 18.938 4.566 1.00 75.44 H new ATOM 0 HA GLN A 40 4.312 17.072 4.556 1.00 33.21 H new ATOM 0 HB2 GLN A 40 5.341 19.169 2.577 1.00 44.22 H new ATOM 0 HB3 GLN A 40 3.829 18.320 2.321 1.00 44.22 H new ATOM 0 HG2 GLN A 40 4.160 19.649 4.990 1.00 34.02 H new ATOM 0 HG3 GLN A 40 3.994 20.712 3.607 1.00 34.02 H new ATOM 0 HE21 GLN A 40 2.522 17.806 5.133 1.00 2.34 H new ATOM 0 HE22 GLN A 40 0.884 18.120 4.550 1.00 2.34 H new ATOM 650 N LEU A 41 6.423 16.633 2.044 1.00 41.12 N ATOM 651 CA LEU A 41 6.849 15.756 0.972 1.00 15.34 C ATOM 652 C LEU A 41 7.389 14.459 1.562 1.00 23.34 C ATOM 653 O LEU A 41 6.992 13.369 1.153 1.00 52.42 O ATOM 654 CB LEU A 41 7.917 16.480 0.134 1.00 21.03 C ATOM 655 CG LEU A 41 7.718 16.292 -1.375 1.00 0.11 C ATOM 656 CD1 LEU A 41 8.892 16.935 -2.114 1.00 22.31 C ATOM 657 CD2 LEU A 41 7.656 14.843 -1.825 1.00 65.33 C ATOM 0 H LEU A 41 6.955 17.502 2.085 1.00 41.12 H new ATOM 0 HA LEU A 41 6.009 15.506 0.324 1.00 15.34 H new ATOM 0 HB2 LEU A 41 7.896 17.544 0.369 1.00 21.03 H new ATOM 0 HB3 LEU A 41 8.904 16.111 0.414 1.00 21.03 H new ATOM 0 HG LEU A 41 6.757 16.753 -1.604 1.00 0.11 H new ATOM 0 HD11 LEU A 41 8.760 16.807 -3.188 1.00 22.31 H new ATOM 0 HD12 LEU A 41 8.932 17.998 -1.878 1.00 22.31 H new ATOM 0 HD13 LEU A 41 9.822 16.459 -1.803 1.00 22.31 H new ATOM 0 HD21 LEU A 41 7.514 14.803 -2.905 1.00 65.33 H new ATOM 0 HD22 LEU A 41 8.587 14.340 -1.563 1.00 65.33 H new ATOM 0 HD23 LEU A 41 6.823 14.344 -1.331 1.00 65.33 H new ATOM 669 N GLU A 42 8.287 14.568 2.543 1.00 33.24 N ATOM 670 CA GLU A 42 8.830 13.413 3.230 1.00 33.03 C ATOM 671 C GLU A 42 7.739 12.619 3.922 1.00 40.42 C ATOM 672 O GLU A 42 7.848 11.396 3.957 1.00 21.43 O ATOM 673 CB GLU A 42 9.921 13.800 4.242 1.00 30.51 C ATOM 674 CG GLU A 42 11.317 13.666 3.621 1.00 14.32 C ATOM 675 CD GLU A 42 12.327 13.043 4.582 1.00 3.02 C ATOM 676 OE1 GLU A 42 12.129 11.862 4.980 1.00 44.20 O ATOM 677 OE2 GLU A 42 13.393 13.656 4.783 1.00 2.14 O1- ATOM 0 H GLU A 42 8.652 15.460 2.877 1.00 33.24 H new ATOM 0 HA GLU A 42 9.289 12.786 2.465 1.00 33.03 H new ATOM 0 HB2 GLU A 42 9.765 14.825 4.577 1.00 30.51 H new ATOM 0 HB3 GLU A 42 9.848 13.162 5.123 1.00 30.51 H new ATOM 0 HG2 GLU A 42 11.253 13.056 2.720 1.00 14.32 H new ATOM 0 HG3 GLU A 42 11.671 14.650 3.315 1.00 14.32 H new ATOM 684 N HIS A 43 6.694 13.271 4.425 1.00 44.33 N ATOM 685 CA HIS A 43 5.564 12.585 5.015 1.00 44.01 C ATOM 686 C HIS A 43 4.892 11.713 3.956 1.00 54.41 C ATOM 687 O HIS A 43 4.701 10.521 4.198 1.00 14.03 O ATOM 688 CB HIS A 43 4.586 13.602 5.617 1.00 30.04 C ATOM 689 CG HIS A 43 3.834 13.059 6.794 1.00 15.00 C ATOM 690 ND1 HIS A 43 3.981 13.461 8.092 1.00 21.13 N flip ATOM 691 CD2 HIS A 43 2.927 12.027 6.767 1.00 25.41 C flip ATOM 692 CE1 HIS A 43 3.152 12.649 8.875 1.00 13.25 C flip ATOM 693 NE2 HIS A 43 2.544 11.792 8.031 1.00 71.41 N flip ATOM 0 H HIS A 43 6.613 14.288 4.432 1.00 44.33 H new ATOM 0 HA HIS A 43 5.903 11.938 5.824 1.00 44.01 H new ATOM 0 HB2 HIS A 43 5.137 14.492 5.923 1.00 30.04 H new ATOM 0 HB3 HIS A 43 3.876 13.914 4.851 1.00 30.04 H new ATOM 0 HD2 HIS A 43 2.585 11.501 5.888 1.00 25.41 H new ATOM 0 HE1 HIS A 43 3.025 12.699 9.946 1.00 13.25 H new ATOM 0 HE2 HIS A 43 1.885 11.067 8.314 1.00 71.41 H new ATOM 701 N THR A 44 4.605 12.257 2.766 1.00 62.13 N ATOM 702 CA THR A 44 4.014 11.490 1.671 1.00 71.14 C ATOM 703 C THR A 44 4.878 10.267 1.356 1.00 32.51 C ATOM 704 O THR A 44 4.352 9.162 1.186 1.00 73.14 O ATOM 705 CB THR A 44 3.863 12.375 0.421 1.00 22.00 C ATOM 706 OG1 THR A 44 3.382 13.668 0.740 1.00 22.10 O ATOM 707 CG2 THR A 44 2.917 11.768 -0.617 1.00 62.22 C ATOM 0 H THR A 44 4.776 13.237 2.540 1.00 62.13 H new ATOM 0 HA THR A 44 3.025 11.149 1.976 1.00 71.14 H new ATOM 0 HB THR A 44 4.867 12.443 0.002 1.00 22.00 H new ATOM 0 HG1 THR A 44 3.302 14.199 -0.080 1.00 22.10 H new ATOM 0 HG21 THR A 44 2.847 12.433 -1.478 1.00 62.22 H new ATOM 0 HG22 THR A 44 3.301 10.799 -0.937 1.00 62.22 H new ATOM 0 HG23 THR A 44 1.928 11.639 -0.177 1.00 62.22 H new ATOM 715 N ARG A 45 6.203 10.455 1.292 1.00 24.01 N ATOM 716 CA ARG A 45 7.150 9.392 1.000 1.00 72.21 C ATOM 717 C ARG A 45 7.133 8.327 2.084 1.00 64.44 C ATOM 718 O ARG A 45 7.018 7.151 1.734 1.00 71.53 O ATOM 719 CB ARG A 45 8.568 9.959 0.799 1.00 64.22 C ATOM 720 CG ARG A 45 8.848 10.303 -0.667 1.00 11.44 C ATOM 721 CD ARG A 45 7.987 11.456 -1.192 1.00 54.04 C ATOM 722 NE ARG A 45 8.268 11.828 -2.596 1.00 4.24 N ATOM 723 CZ ARG A 45 7.325 11.987 -3.540 1.00 42.41 C ATOM 724 NH1 ARG A 45 6.195 11.292 -3.499 1.00 25.00 N1+ ATOM 725 NH2 ARG A 45 7.499 12.852 -4.535 1.00 0.40 N ATOM 0 H ARG A 45 6.643 11.362 1.444 1.00 24.01 H new ATOM 0 HA ARG A 45 6.843 8.918 0.068 1.00 72.21 H new ATOM 0 HB2 ARG A 45 8.691 10.853 1.411 1.00 64.22 H new ATOM 0 HB3 ARG A 45 9.302 9.232 1.147 1.00 64.22 H new ATOM 0 HG2 ARG A 45 9.900 10.565 -0.777 1.00 11.44 H new ATOM 0 HG3 ARG A 45 8.673 9.419 -1.281 1.00 11.44 H new ATOM 0 HD2 ARG A 45 6.936 11.180 -1.104 1.00 54.04 H new ATOM 0 HD3 ARG A 45 8.142 12.329 -0.558 1.00 54.04 H new ATOM 0 HE ARG A 45 9.241 11.973 -2.865 1.00 4.24 H new ATOM 0 HH11 ARG A 45 6.033 10.626 -2.744 1.00 25.00 H new ATOM 0 HH12 ARG A 45 5.489 11.424 -4.223 1.00 25.00 H new ATOM 0 HH21 ARG A 45 8.355 13.403 -4.587 1.00 0.40 H new ATOM 0 HH22 ARG A 45 6.776 12.964 -5.246 1.00 0.40 H new ATOM 739 N GLN A 46 7.230 8.719 3.355 1.00 54.25 N ATOM 740 CA GLN A 46 7.244 7.800 4.491 1.00 14.35 C ATOM 741 C GLN A 46 5.967 6.979 4.504 1.00 34.32 C ATOM 742 O GLN A 46 6.018 5.777 4.739 1.00 63.33 O ATOM 743 CB GLN A 46 7.350 8.526 5.839 1.00 1.03 C ATOM 744 CG GLN A 46 8.764 9.017 6.177 1.00 71.03 C ATOM 745 CD GLN A 46 9.070 9.055 7.678 1.00 64.21 C ATOM 746 OE1 GLN A 46 8.259 8.698 8.535 1.00 2.51 O ATOM 747 NE2 GLN A 46 10.277 9.456 8.031 1.00 72.22 N ATOM 0 H GLN A 46 7.302 9.699 3.627 1.00 54.25 H new ATOM 0 HA GLN A 46 8.124 7.168 4.368 1.00 14.35 H new ATOM 0 HB2 GLN A 46 6.672 9.380 5.834 1.00 1.03 H new ATOM 0 HB3 GLN A 46 7.012 7.855 6.628 1.00 1.03 H new ATOM 0 HG2 GLN A 46 9.489 8.369 5.685 1.00 71.03 H new ATOM 0 HG3 GLN A 46 8.898 10.017 5.764 1.00 71.03 H new ATOM 0 HE21 GLN A 46 10.945 9.751 7.319 1.00 72.22 H new ATOM 0 HE22 GLN A 46 10.542 9.471 9.016 1.00 72.22 H new ATOM 756 N CYS A 47 4.836 7.621 4.233 1.00 43.24 N ATOM 757 CA CYS A 47 3.553 6.973 4.128 1.00 44.42 C ATOM 758 C CYS A 47 3.644 5.871 3.074 1.00 2.22 C ATOM 759 O CYS A 47 3.471 4.700 3.402 1.00 63.24 O ATOM 760 CB CYS A 47 2.520 8.048 3.790 1.00 3.33 C ATOM 761 SG CYS A 47 0.907 7.720 4.487 1.00 22.35 S ATOM 0 H CYS A 47 4.795 8.628 4.078 1.00 43.24 H new ATOM 0 HA CYS A 47 3.249 6.494 5.059 1.00 44.42 H new ATOM 0 HB2 CYS A 47 2.876 9.012 4.153 1.00 3.33 H new ATOM 0 HB3 CYS A 47 2.431 8.129 2.707 1.00 3.33 H new ATOM 0 HG CYS A 47 0.150 8.767 4.341 1.00 22.35 H new ATOM 767 N LEU A 48 3.932 6.243 1.821 1.00 4.13 N ATOM 768 CA LEU A 48 3.931 5.323 0.686 1.00 3.12 C ATOM 769 C LEU A 48 4.813 4.110 0.951 1.00 50.02 C ATOM 770 O LEU A 48 4.344 2.983 0.786 1.00 33.14 O ATOM 771 CB LEU A 48 4.393 6.043 -0.590 1.00 72.14 C ATOM 772 CG LEU A 48 3.287 6.168 -1.650 1.00 60.44 C ATOM 773 CD1 LEU A 48 3.660 7.252 -2.662 1.00 73.51 C ATOM 774 CD2 LEU A 48 3.113 4.839 -2.396 1.00 44.04 C ATOM 0 H LEU A 48 4.174 7.201 1.568 1.00 4.13 H new ATOM 0 HA LEU A 48 2.908 4.972 0.546 1.00 3.12 H new ATOM 0 HB2 LEU A 48 4.750 7.039 -0.328 1.00 72.14 H new ATOM 0 HB3 LEU A 48 5.238 5.504 -1.018 1.00 72.14 H new ATOM 0 HG LEU A 48 2.356 6.430 -1.148 1.00 60.44 H new ATOM 0 HD11 LEU A 48 2.873 7.337 -3.411 1.00 73.51 H new ATOM 0 HD12 LEU A 48 3.775 8.206 -2.147 1.00 73.51 H new ATOM 0 HD13 LEU A 48 4.598 6.987 -3.150 1.00 73.51 H new ATOM 0 HD21 LEU A 48 2.327 4.942 -3.144 1.00 44.04 H new ATOM 0 HD22 LEU A 48 4.049 4.573 -2.888 1.00 44.04 H new ATOM 0 HD23 LEU A 48 2.840 4.057 -1.687 1.00 44.04 H new ATOM 786 N ILE A 49 6.076 4.341 1.332 1.00 4.15 N ATOM 787 CA ILE A 49 6.998 3.248 1.630 1.00 22.35 C ATOM 788 C ILE A 49 6.436 2.372 2.752 1.00 73.31 C ATOM 789 O ILE A 49 6.301 1.169 2.561 1.00 54.42 O ATOM 790 CB ILE A 49 8.468 3.675 1.861 1.00 2.24 C ATOM 791 CG1 ILE A 49 8.695 4.709 2.979 1.00 3.42 C ATOM 792 CG2 ILE A 49 9.103 4.156 0.545 1.00 45.11 C ATOM 793 CD1 ILE A 49 9.172 4.076 4.284 1.00 33.54 C ATOM 0 H ILE A 49 6.477 5.273 1.440 1.00 4.15 H new ATOM 0 HA ILE A 49 7.063 2.645 0.724 1.00 22.35 H new ATOM 0 HB ILE A 49 8.964 2.772 2.216 1.00 2.24 H new ATOM 0 HG12 ILE A 49 9.430 5.441 2.646 1.00 3.42 H new ATOM 0 HG13 ILE A 49 7.766 5.250 3.161 1.00 3.42 H new ATOM 0 HG21 ILE A 49 10.136 4.452 0.726 1.00 45.11 H new ATOM 0 HG22 ILE A 49 9.080 3.348 -0.187 1.00 45.11 H new ATOM 0 HG23 ILE A 49 8.543 5.009 0.161 1.00 45.11 H new ATOM 0 HD11 ILE A 49 9.315 4.853 5.035 1.00 33.54 H new ATOM 0 HD12 ILE A 49 8.426 3.364 4.637 1.00 33.54 H new ATOM 0 HD13 ILE A 49 10.116 3.558 4.114 1.00 33.54 H new ATOM 805 N LYS A 50 6.013 2.950 3.882 1.00 54.03 N ATOM 806 CA LYS A 50 5.545 2.201 5.039 1.00 10.45 C ATOM 807 C LYS A 50 4.390 1.289 4.643 1.00 65.14 C ATOM 808 O LYS A 50 4.402 0.102 4.975 1.00 21.01 O ATOM 809 CB LYS A 50 5.146 3.208 6.132 1.00 64.21 C ATOM 810 CG LYS A 50 4.818 2.562 7.474 1.00 11.34 C ATOM 811 CD LYS A 50 6.088 2.196 8.242 1.00 30.02 C ATOM 812 CE LYS A 50 6.460 3.200 9.337 1.00 53.21 C ATOM 813 NZ LYS A 50 6.959 4.495 8.829 1.00 51.25 N1+ ATOM 0 H LYS A 50 5.988 3.961 4.014 1.00 54.03 H new ATOM 0 HA LYS A 50 6.332 1.555 5.429 1.00 10.45 H new ATOM 0 HB2 LYS A 50 5.959 3.920 6.271 1.00 64.21 H new ATOM 0 HB3 LYS A 50 4.280 3.776 5.791 1.00 64.21 H new ATOM 0 HG2 LYS A 50 4.214 3.246 8.071 1.00 11.34 H new ATOM 0 HG3 LYS A 50 4.218 1.666 7.312 1.00 11.34 H new ATOM 0 HD2 LYS A 50 5.958 1.212 8.693 1.00 30.02 H new ATOM 0 HD3 LYS A 50 6.917 2.117 7.538 1.00 30.02 H new ATOM 0 HE2 LYS A 50 5.585 3.380 9.961 1.00 53.21 H new ATOM 0 HE3 LYS A 50 7.222 2.756 9.977 1.00 53.21 H new ATOM 0 HZ1 LYS A 50 7.188 5.117 9.630 1.00 51.25 H new ATOM 0 HZ2 LYS A 50 7.813 4.338 8.257 1.00 51.25 H new ATOM 0 HZ3 LYS A 50 6.227 4.943 8.241 1.00 51.25 H new ATOM 827 N ILE A 51 3.398 1.860 3.958 1.00 24.51 N ATOM 828 CA ILE A 51 2.210 1.156 3.530 1.00 1.44 C ATOM 829 C ILE A 51 2.638 -0.009 2.632 1.00 1.23 C ATOM 830 O ILE A 51 2.259 -1.150 2.901 1.00 42.41 O ATOM 831 CB ILE A 51 1.198 2.122 2.857 1.00 34.42 C ATOM 832 CG1 ILE A 51 0.734 3.270 3.798 1.00 72.01 C ATOM 833 CG2 ILE A 51 -0.043 1.309 2.448 1.00 64.43 C ATOM 834 CD1 ILE A 51 0.299 4.568 3.085 1.00 62.13 C ATOM 0 H ILE A 51 3.407 2.843 3.685 1.00 24.51 H new ATOM 0 HA ILE A 51 1.678 0.743 4.387 1.00 1.44 H new ATOM 0 HB ILE A 51 1.699 2.578 2.003 1.00 34.42 H new ATOM 0 HG12 ILE A 51 -0.099 2.909 4.402 1.00 72.01 H new ATOM 0 HG13 ILE A 51 1.547 3.506 4.485 1.00 72.01 H new ATOM 0 HG21 ILE A 51 -0.769 1.968 1.972 1.00 64.43 H new ATOM 0 HG22 ILE A 51 0.249 0.526 1.748 1.00 64.43 H new ATOM 0 HG23 ILE A 51 -0.489 0.856 3.333 1.00 64.43 H new ATOM 0 HD11 ILE A 51 -0.006 5.306 3.827 1.00 62.13 H new ATOM 0 HD12 ILE A 51 1.133 4.961 2.504 1.00 62.13 H new ATOM 0 HD13 ILE A 51 -0.538 4.355 2.420 1.00 62.13 H new ATOM 846 N GLY A 52 3.400 0.263 1.570 1.00 60.25 N ATOM 847 CA GLY A 52 3.742 -0.749 0.587 1.00 12.12 C ATOM 848 C GLY A 52 4.642 -1.838 1.164 1.00 41.42 C ATOM 849 O GLY A 52 4.508 -2.999 0.772 1.00 1.12 O ATOM 0 H GLY A 52 3.791 1.185 1.375 1.00 60.25 H new ATOM 0 HA2 GLY A 52 2.828 -1.202 0.203 1.00 12.12 H new ATOM 0 HA3 GLY A 52 4.243 -0.277 -0.258 1.00 12.12 H new ATOM 853 N ASP A 53 5.534 -1.499 2.093 1.00 15.43 N ATOM 854 CA ASP A 53 6.383 -2.483 2.748 1.00 23.03 C ATOM 855 C ASP A 53 5.540 -3.415 3.601 1.00 4.51 C ATOM 856 O ASP A 53 5.731 -4.624 3.514 1.00 64.45 O ATOM 857 CB ASP A 53 7.492 -1.834 3.590 1.00 51.04 C ATOM 858 CG ASP A 53 8.873 -1.910 2.932 1.00 41.21 C ATOM 859 OD1 ASP A 53 9.199 -2.870 2.186 1.00 2.34 O ATOM 860 OD2 ASP A 53 9.662 -0.965 3.152 1.00 74.02 O1- ATOM 0 H ASP A 53 5.685 -0.541 2.409 1.00 15.43 H new ATOM 0 HA ASP A 53 6.877 -3.058 1.965 1.00 23.03 H new ATOM 0 HB2 ASP A 53 7.239 -0.789 3.769 1.00 51.04 H new ATOM 0 HB3 ASP A 53 7.533 -2.323 4.563 1.00 51.04 H new ATOM 865 N HIS A 54 4.588 -2.883 4.376 1.00 4.14 N ATOM 866 CA HIS A 54 3.705 -3.720 5.184 1.00 61.14 C ATOM 867 C HIS A 54 2.878 -4.659 4.310 1.00 71.00 C ATOM 868 O HIS A 54 2.718 -5.827 4.670 1.00 13.33 O ATOM 869 CB HIS A 54 2.813 -2.854 6.078 1.00 31.12 C ATOM 870 CG HIS A 54 3.561 -2.401 7.301 1.00 71.42 C ATOM 871 ND1 HIS A 54 4.559 -1.458 7.317 1.00 41.41 N ATOM 872 CD2 HIS A 54 3.504 -2.973 8.543 1.00 41.53 C ATOM 873 CE1 HIS A 54 5.109 -1.476 8.539 1.00 33.05 C ATOM 874 NE2 HIS A 54 4.473 -2.348 9.336 1.00 52.53 N ATOM 0 H HIS A 54 4.413 -1.882 4.458 1.00 4.14 H new ATOM 0 HA HIS A 54 4.324 -4.343 5.829 1.00 61.14 H new ATOM 0 HB2 HIS A 54 2.463 -1.987 5.519 1.00 31.12 H new ATOM 0 HB3 HIS A 54 1.930 -3.420 6.375 1.00 31.12 H new ATOM 0 HD1 HIS A 54 4.832 -0.855 6.541 1.00 41.41 H new ATOM 0 HD2 HIS A 54 2.835 -3.761 8.854 1.00 41.53 H new ATOM 0 HE1 HIS A 54 5.951 -0.870 8.841 1.00 33.05 H new ATOM 882 N ILE A 55 2.393 -4.183 3.157 1.00 14.30 N ATOM 883 CA ILE A 55 1.771 -5.046 2.161 1.00 11.25 C ATOM 884 C ILE A 55 2.721 -6.210 1.834 1.00 40.53 C ATOM 885 O ILE A 55 2.325 -7.372 1.972 1.00 21.05 O ATOM 886 CB ILE A 55 1.306 -4.218 0.942 1.00 51.10 C ATOM 887 CG1 ILE A 55 0.153 -3.279 1.365 1.00 44.42 C ATOM 888 CG2 ILE A 55 0.871 -5.086 -0.249 1.00 13.04 C ATOM 889 CD1 ILE A 55 -0.352 -2.326 0.280 1.00 63.25 C ATOM 0 H ILE A 55 2.423 -3.198 2.895 1.00 14.30 H new ATOM 0 HA ILE A 55 0.860 -5.500 2.551 1.00 11.25 H new ATOM 0 HB ILE A 55 2.164 -3.637 0.603 1.00 51.10 H new ATOM 0 HG12 ILE A 55 -0.683 -3.890 1.706 1.00 44.42 H new ATOM 0 HG13 ILE A 55 0.484 -2.687 2.218 1.00 44.42 H new ATOM 0 HG21 ILE A 55 0.556 -4.444 -1.072 1.00 13.04 H new ATOM 0 HG22 ILE A 55 1.707 -5.706 -0.572 1.00 13.04 H new ATOM 0 HG23 ILE A 55 0.040 -5.725 0.051 1.00 13.04 H new ATOM 0 HD11 ILE A 55 -1.159 -1.713 0.681 1.00 63.25 H new ATOM 0 HD12 ILE A 55 0.464 -1.682 -0.047 1.00 63.25 H new ATOM 0 HD13 ILE A 55 -0.721 -2.903 -0.568 1.00 63.25 H new ATOM 901 N THR A 56 3.959 -5.928 1.419 1.00 5.22 N ATOM 902 CA THR A 56 4.882 -6.975 1.002 1.00 13.14 C ATOM 903 C THR A 56 5.188 -7.967 2.140 1.00 44.41 C ATOM 904 O THR A 56 5.253 -9.175 1.887 1.00 3.10 O ATOM 905 CB THR A 56 6.159 -6.344 0.437 1.00 23.42 C ATOM 906 OG1 THR A 56 5.850 -5.340 -0.518 1.00 70.12 O ATOM 907 CG2 THR A 56 7.066 -7.361 -0.260 1.00 44.22 C ATOM 0 H THR A 56 4.340 -4.984 1.365 1.00 5.22 H new ATOM 0 HA THR A 56 4.404 -7.558 0.215 1.00 13.14 H new ATOM 0 HB THR A 56 6.679 -5.925 1.299 1.00 23.42 H new ATOM 0 HG1 THR A 56 5.559 -4.527 -0.055 1.00 70.12 H new ATOM 0 HG21 THR A 56 7.954 -6.856 -0.640 1.00 44.22 H new ATOM 0 HG22 THR A 56 7.363 -8.132 0.452 1.00 44.22 H new ATOM 0 HG23 THR A 56 6.528 -7.821 -1.089 1.00 44.22 H new ATOM 915 N GLU A 57 5.356 -7.482 3.377 1.00 33.02 N ATOM 916 CA GLU A 57 5.648 -8.327 4.532 1.00 24.11 C ATOM 917 C GLU A 57 4.476 -9.274 4.840 1.00 32.24 C ATOM 918 O GLU A 57 4.699 -10.368 5.355 1.00 3.40 O ATOM 919 CB GLU A 57 6.052 -7.484 5.756 1.00 61.11 C ATOM 920 CG GLU A 57 7.424 -6.779 5.637 1.00 73.54 C ATOM 921 CD GLU A 57 8.662 -7.694 5.580 1.00 61.31 C ATOM 922 OE1 GLU A 57 8.589 -8.883 5.946 1.00 10.24 O1- ATOM 923 OE2 GLU A 57 9.728 -7.257 5.081 1.00 1.40 O ATOM 0 H GLU A 57 5.292 -6.489 3.601 1.00 33.02 H new ATOM 0 HA GLU A 57 6.505 -8.952 4.282 1.00 24.11 H new ATOM 0 HB2 GLU A 57 5.285 -6.728 5.928 1.00 61.11 H new ATOM 0 HB3 GLU A 57 6.066 -8.129 6.635 1.00 61.11 H new ATOM 0 HG2 GLU A 57 7.414 -6.162 4.739 1.00 73.54 H new ATOM 0 HG3 GLU A 57 7.536 -6.105 6.486 1.00 73.54 H new ATOM 930 N CYS A 58 3.240 -8.918 4.467 1.00 11.34 N ATOM 931 CA CYS A 58 2.127 -9.858 4.466 1.00 0.31 C ATOM 932 C CYS A 58 2.227 -10.847 3.303 1.00 73.23 C ATOM 933 O CYS A 58 1.967 -12.029 3.479 1.00 13.34 O ATOM 934 CB CYS A 58 0.793 -9.107 4.373 1.00 31.54 C ATOM 935 SG CYS A 58 0.165 -8.761 6.033 1.00 43.24 S ATOM 0 H CYS A 58 2.991 -7.977 4.161 1.00 11.34 H new ATOM 0 HA CYS A 58 2.173 -10.415 5.402 1.00 0.31 H new ATOM 0 HB2 CYS A 58 0.928 -8.175 3.824 1.00 31.54 H new ATOM 0 HB3 CYS A 58 0.068 -9.702 3.817 1.00 31.54 H new ATOM 0 HG CYS A 58 -0.532 -7.664 6.013 1.00 43.24 H new ATOM 941 N LEU A 59 2.512 -10.406 2.082 1.00 64.12 N ATOM 942 CA LEU A 59 2.377 -11.303 0.932 1.00 53.20 C ATOM 943 C LEU A 59 3.532 -12.286 0.792 1.00 72.32 C ATOM 944 O LEU A 59 3.387 -13.244 0.038 1.00 72.00 O ATOM 945 CB LEU A 59 2.277 -10.560 -0.392 1.00 14.43 C ATOM 946 CG LEU A 59 1.029 -9.712 -0.677 1.00 53.24 C ATOM 947 CD1 LEU A 59 -0.040 -9.629 0.404 1.00 71.42 C ATOM 948 CD2 LEU A 59 1.474 -8.316 -1.095 1.00 3.53 C ATOM 0 H LEU A 59 2.829 -9.462 1.862 1.00 64.12 H new ATOM 0 HA LEU A 59 1.452 -11.840 1.141 1.00 53.20 H new ATOM 0 HB2 LEU A 59 3.145 -9.905 -0.468 1.00 14.43 H new ATOM 0 HB3 LEU A 59 2.363 -11.297 -1.190 1.00 14.43 H new ATOM 0 HG LEU A 59 0.513 -10.248 -1.473 1.00 53.24 H new ATOM 0 HD11 LEU A 59 -0.858 -8.996 0.059 1.00 71.42 H new ATOM 0 HD12 LEU A 59 -0.419 -10.628 0.618 1.00 71.42 H new ATOM 0 HD13 LEU A 59 0.391 -9.203 1.310 1.00 71.42 H new ATOM 0 HD21 LEU A 59 0.598 -7.701 -1.301 1.00 3.53 H new ATOM 0 HD22 LEU A 59 2.054 -7.863 -0.291 1.00 3.53 H new ATOM 0 HD23 LEU A 59 2.089 -8.384 -1.992 1.00 3.53 H new ATOM 960 N LYS A 60 4.688 -12.077 1.425 1.00 42.43 N ATOM 961 CA LYS A 60 5.678 -13.157 1.509 1.00 35.12 C ATOM 962 C LYS A 60 5.205 -14.283 2.427 1.00 40.54 C ATOM 963 O LYS A 60 5.727 -15.391 2.337 1.00 41.41 O ATOM 964 CB LYS A 60 7.008 -12.597 2.022 1.00 54.12 C ATOM 965 CG LYS A 60 6.885 -12.227 3.507 1.00 34.15 C ATOM 966 CD LYS A 60 7.854 -11.143 3.923 1.00 11.14 C ATOM 967 CE LYS A 60 9.297 -11.619 4.007 1.00 52.11 C ATOM 968 NZ LYS A 60 10.176 -10.473 4.291 1.00 72.35 N1+ ATOM 0 H LYS A 60 4.958 -11.202 1.874 1.00 42.43 H new ATOM 0 HA LYS A 60 5.810 -13.572 0.510 1.00 35.12 H new ATOM 0 HB2 LYS A 60 7.799 -13.335 1.887 1.00 54.12 H new ATOM 0 HB3 LYS A 60 7.290 -11.718 1.442 1.00 54.12 H new ATOM 0 HG2 LYS A 60 5.867 -11.896 3.711 1.00 34.15 H new ATOM 0 HG3 LYS A 60 7.059 -13.116 4.114 1.00 34.15 H new ATOM 0 HD2 LYS A 60 7.792 -10.319 3.212 1.00 11.14 H new ATOM 0 HD3 LYS A 60 7.552 -10.750 4.894 1.00 11.14 H new ATOM 0 HE2 LYS A 60 9.398 -12.371 4.789 1.00 52.11 H new ATOM 0 HE3 LYS A 60 9.590 -12.092 3.070 1.00 52.11 H new ATOM 0 HZ1 LYS A 60 11.123 -10.817 4.549 1.00 72.35 H new ATOM 0 HZ2 LYS A 60 10.245 -9.870 3.446 1.00 72.35 H new ATOM 0 HZ3 LYS A 60 9.782 -9.920 5.079 1.00 72.35 H new ATOM 982 N GLU A 61 4.267 -13.981 3.330 1.00 54.21 N ATOM 983 CA GLU A 61 3.867 -14.860 4.417 1.00 54.40 C ATOM 984 C GLU A 61 3.171 -16.088 3.856 1.00 62.01 C ATOM 985 O GLU A 61 3.247 -17.170 4.443 1.00 3.42 O ATOM 986 CB GLU A 61 2.914 -14.092 5.342 1.00 64.41 C ATOM 987 CG GLU A 61 2.849 -14.629 6.774 1.00 21.14 C ATOM 988 CD GLU A 61 1.478 -15.174 7.194 1.00 34.24 C ATOM 989 OE1 GLU A 61 0.411 -14.623 6.848 1.00 3.14 O ATOM 990 OE2 GLU A 61 1.456 -16.181 7.943 1.00 63.12 O1- ATOM 0 H GLU A 61 3.757 -13.097 3.319 1.00 54.21 H new ATOM 0 HA GLU A 61 4.744 -15.184 4.977 1.00 54.40 H new ATOM 0 HB2 GLU A 61 3.222 -13.047 5.373 1.00 64.41 H new ATOM 0 HB3 GLU A 61 1.913 -14.117 4.912 1.00 64.41 H new ATOM 0 HG2 GLU A 61 3.589 -15.422 6.884 1.00 21.14 H new ATOM 0 HG3 GLU A 61 3.133 -13.831 7.460 1.00 21.14 H new ATOM 997 N TYR A 62 2.490 -15.922 2.721 1.00 60.23 N ATOM 998 CA TYR A 62 1.855 -17.039 2.040 1.00 13.04 C ATOM 999 C TYR A 62 2.870 -17.870 1.265 1.00 13.02 C ATOM 1000 O TYR A 62 3.933 -17.385 0.876 1.00 51.53 O ATOM 1001 CB TYR A 62 0.740 -16.564 1.108 1.00 44.44 C ATOM 1002 CG TYR A 62 -0.198 -15.578 1.763 1.00 71.50 C ATOM 1003 CD1 TYR A 62 -1.057 -16.046 2.771 1.00 33.43 C ATOM 1004 CD2 TYR A 62 -0.157 -14.207 1.441 1.00 21.24 C ATOM 1005 CE1 TYR A 62 -1.910 -15.162 3.444 1.00 41.42 C ATOM 1006 CE2 TYR A 62 -0.955 -13.308 2.173 1.00 62.34 C ATOM 1007 CZ TYR A 62 -1.821 -13.775 3.187 1.00 11.34 C ATOM 1008 OH TYR A 62 -2.527 -12.897 3.949 1.00 10.34 O ATOM 0 H TYR A 62 2.367 -15.022 2.258 1.00 60.23 H new ATOM 0 HA TYR A 62 1.412 -17.671 2.810 1.00 13.04 H new ATOM 0 HB2 TYR A 62 1.184 -16.103 0.225 1.00 44.44 H new ATOM 0 HB3 TYR A 62 0.169 -17.427 0.765 1.00 44.44 H new ATOM 0 HD1 TYR A 62 -1.060 -17.095 3.029 1.00 33.43 H new ATOM 0 HD2 TYR A 62 0.478 -13.851 0.643 1.00 21.24 H new ATOM 0 HE1 TYR A 62 -2.631 -15.538 4.155 1.00 41.42 H new ATOM 0 HE2 TYR A 62 -0.905 -12.251 1.958 1.00 62.34 H new ATOM 0 HH TYR A 62 -2.353 -11.983 3.641 1.00 10.34 H new ATOM 1018 N THR A 63 2.501 -19.116 0.990 1.00 43.11 N ATOM 1019 CA THR A 63 3.289 -20.075 0.231 1.00 35.33 C ATOM 1020 C THR A 63 2.662 -20.255 -1.158 1.00 12.01 C ATOM 1021 O THR A 63 3.356 -20.118 -2.170 1.00 41.13 O ATOM 1022 CB THR A 63 3.559 -21.348 1.060 1.00 2.33 C ATOM 1023 OG1 THR A 63 3.975 -22.442 0.278 1.00 32.45 O ATOM 1024 CG2 THR A 63 2.373 -21.789 1.894 1.00 31.03 C ATOM 0 H THR A 63 1.609 -19.499 1.303 1.00 43.11 H new ATOM 0 HA THR A 63 4.295 -19.707 0.031 1.00 35.33 H new ATOM 0 HB THR A 63 4.370 -21.050 1.725 1.00 2.33 H new ATOM 0 HG1 THR A 63 4.132 -23.217 0.857 1.00 32.45 H new ATOM 0 HG21 THR A 63 2.634 -22.689 2.450 1.00 31.03 H new ATOM 0 HG22 THR A 63 2.104 -20.996 2.592 1.00 31.03 H new ATOM 0 HG23 THR A 63 1.527 -21.999 1.240 1.00 31.03 H new ATOM 1032 N ASN A 64 1.345 -20.497 -1.222 1.00 22.12 N ATOM 1033 CA ASN A 64 0.656 -20.864 -2.462 1.00 20.34 C ATOM 1034 C ASN A 64 0.721 -19.722 -3.483 1.00 62.22 C ATOM 1035 O ASN A 64 0.579 -18.556 -3.101 1.00 24.00 O ATOM 1036 CB ASN A 64 -0.823 -21.187 -2.201 1.00 73.21 C ATOM 1037 CG ASN A 64 -1.056 -22.554 -1.595 1.00 21.22 C ATOM 1038 OD1 ASN A 64 -0.372 -22.916 -0.646 1.00 61.02 O ATOM 1039 ND2 ASN A 64 -2.020 -23.317 -2.069 1.00 53.22 N ATOM 0 H ASN A 64 0.728 -20.443 -0.412 1.00 22.12 H new ATOM 0 HA ASN A 64 1.162 -21.746 -2.855 1.00 20.34 H new ATOM 0 HB2 ASN A 64 -1.238 -20.430 -1.535 1.00 73.21 H new ATOM 0 HB3 ASN A 64 -1.371 -21.119 -3.141 1.00 73.21 H new ATOM 0 HD21 ASN A 64 -2.207 -24.226 -1.645 1.00 53.22 H new ATOM 0 HD22 ASN A 64 -2.580 -22.999 -2.860 1.00 53.22 H new ATOM 1046 N PRO A 65 0.831 -20.032 -4.789 1.00 2.25 N ATOM 1047 CA PRO A 65 0.927 -19.024 -5.839 1.00 15.53 C ATOM 1048 C PRO A 65 -0.369 -18.222 -5.994 1.00 14.03 C ATOM 1049 O PRO A 65 -0.332 -17.012 -6.240 1.00 64.50 O ATOM 1050 CB PRO A 65 1.276 -19.804 -7.109 1.00 31.12 C ATOM 1051 CG PRO A 65 0.727 -21.209 -6.854 1.00 31.01 C ATOM 1052 CD PRO A 65 0.947 -21.372 -5.355 1.00 54.11 C ATOM 0 HA PRO A 65 1.684 -18.275 -5.606 1.00 15.53 H new ATOM 0 HB2 PRO A 65 0.820 -19.353 -7.990 1.00 31.12 H new ATOM 0 HB3 PRO A 65 2.352 -19.823 -7.281 1.00 31.12 H new ATOM 0 HG2 PRO A 65 -0.326 -21.290 -7.122 1.00 31.01 H new ATOM 0 HG3 PRO A 65 1.261 -21.966 -7.429 1.00 31.01 H new ATOM 0 HD2 PRO A 65 0.207 -22.045 -4.922 1.00 54.11 H new ATOM 0 HD3 PRO A 65 1.928 -21.801 -5.148 1.00 54.11 H new ATOM 1060 N GLU A 66 -1.518 -18.884 -5.840 1.00 13.54 N ATOM 1061 CA GLU A 66 -2.812 -18.221 -5.849 1.00 32.01 C ATOM 1062 C GLU A 66 -2.836 -17.154 -4.761 1.00 34.31 C ATOM 1063 O GLU A 66 -3.071 -15.991 -5.073 1.00 2.21 O ATOM 1064 CB GLU A 66 -3.957 -19.238 -5.693 1.00 33.45 C ATOM 1065 CG GLU A 66 -4.104 -20.186 -6.888 1.00 24.12 C ATOM 1066 CD GLU A 66 -4.711 -19.533 -8.129 1.00 62.35 C ATOM 1067 OE1 GLU A 66 -4.128 -18.566 -8.675 1.00 45.54 O1- ATOM 1068 OE2 GLU A 66 -5.711 -20.084 -8.636 1.00 0.13 O ATOM 0 H GLU A 66 -1.571 -19.894 -5.706 1.00 13.54 H new ATOM 0 HA GLU A 66 -2.965 -17.733 -6.812 1.00 32.01 H new ATOM 0 HB2 GLU A 66 -3.788 -19.827 -4.792 1.00 33.45 H new ATOM 0 HB3 GLU A 66 -4.894 -18.699 -5.551 1.00 33.45 H new ATOM 0 HG2 GLU A 66 -3.123 -20.586 -7.144 1.00 24.12 H new ATOM 0 HG3 GLU A 66 -4.726 -21.031 -6.594 1.00 24.12 H new ATOM 1075 N GLN A 67 -2.488 -17.521 -3.523 1.00 33.41 N ATOM 1076 CA GLN A 67 -2.544 -16.645 -2.367 1.00 44.41 C ATOM 1077 C GLN A 67 -1.620 -15.453 -2.541 1.00 71.14 C ATOM 1078 O GLN A 67 -2.082 -14.324 -2.392 1.00 63.51 O ATOM 1079 CB GLN A 67 -2.163 -17.423 -1.108 1.00 53.35 C ATOM 1080 CG GLN A 67 -3.359 -17.742 -0.217 1.00 13.40 C ATOM 1081 CD GLN A 67 -3.006 -18.874 0.740 1.00 75.21 C ATOM 1082 OE1 GLN A 67 -2.941 -20.042 0.353 1.00 50.45 O ATOM 1083 NE2 GLN A 67 -2.770 -18.563 2.001 1.00 3.24 N ATOM 0 H GLN A 67 -2.153 -18.458 -3.301 1.00 33.41 H new ATOM 0 HA GLN A 67 -3.564 -16.273 -2.268 1.00 44.41 H new ATOM 0 HB2 GLN A 67 -1.674 -18.354 -1.397 1.00 53.35 H new ATOM 0 HB3 GLN A 67 -1.436 -16.845 -0.537 1.00 53.35 H new ATOM 0 HG2 GLN A 67 -3.650 -16.856 0.346 1.00 13.40 H new ATOM 0 HG3 GLN A 67 -4.215 -18.026 -0.830 1.00 13.40 H new ATOM 0 HE21 GLN A 67 -2.828 -17.591 2.306 1.00 3.24 H new ATOM 0 HE22 GLN A 67 -2.530 -19.294 2.670 1.00 3.24 H new ATOM 1092 N ILE A 68 -0.330 -15.679 -2.822 1.00 1.22 N ATOM 1093 CA ILE A 68 0.593 -14.569 -2.997 1.00 12.50 C ATOM 1094 C ILE A 68 0.051 -13.631 -4.081 1.00 71.12 C ATOM 1095 O ILE A 68 0.006 -12.429 -3.829 1.00 55.41 O ATOM 1096 CB ILE A 68 2.060 -15.018 -3.188 1.00 33.42 C ATOM 1097 CG1 ILE A 68 2.291 -15.898 -4.416 1.00 13.11 C ATOM 1098 CG2 ILE A 68 2.595 -15.778 -1.974 1.00 13.44 C ATOM 1099 CD1 ILE A 68 2.781 -15.105 -5.628 1.00 33.44 C ATOM 0 H ILE A 68 0.085 -16.605 -2.930 1.00 1.22 H new ATOM 0 HA ILE A 68 0.644 -13.994 -2.072 1.00 12.50 H new ATOM 0 HB ILE A 68 2.597 -14.079 -3.325 1.00 33.42 H new ATOM 0 HG12 ILE A 68 3.022 -16.669 -4.173 1.00 13.11 H new ATOM 0 HG13 ILE A 68 1.362 -16.408 -4.672 1.00 13.11 H new ATOM 0 HG21 ILE A 68 3.629 -16.073 -2.156 1.00 13.44 H new ATOM 0 HG22 ILE A 68 2.550 -15.136 -1.094 1.00 13.44 H new ATOM 0 HG23 ILE A 68 1.988 -16.668 -1.806 1.00 13.44 H new ATOM 0 HD11 ILE A 68 2.928 -15.781 -6.470 1.00 33.44 H new ATOM 0 HD12 ILE A 68 2.040 -14.351 -5.893 1.00 33.44 H new ATOM 0 HD13 ILE A 68 3.725 -14.617 -5.386 1.00 33.44 H new ATOM 1111 N LYS A 69 -0.436 -14.110 -5.238 1.00 64.12 N ATOM 1112 CA LYS A 69 -0.918 -13.176 -6.266 1.00 12.30 C ATOM 1113 C LYS A 69 -2.243 -12.513 -5.904 1.00 53.31 C ATOM 1114 O LYS A 69 -2.443 -11.335 -6.209 1.00 62.25 O ATOM 1115 CB LYS A 69 -1.029 -13.864 -7.628 1.00 34.45 C ATOM 1116 CG LYS A 69 0.367 -14.207 -8.147 1.00 41.45 C ATOM 1117 CD LYS A 69 0.393 -14.495 -9.646 1.00 30.22 C ATOM 1118 CE LYS A 69 1.871 -14.656 -9.997 1.00 41.34 C ATOM 1119 NZ LYS A 69 2.116 -14.713 -11.445 1.00 65.32 N1+ ATOM 0 H LYS A 69 -0.505 -15.099 -5.479 1.00 64.12 H new ATOM 0 HA LYS A 69 -0.171 -12.384 -6.322 1.00 12.30 H new ATOM 0 HB2 LYS A 69 -1.628 -14.771 -7.541 1.00 34.45 H new ATOM 0 HB3 LYS A 69 -1.540 -13.211 -8.335 1.00 34.45 H new ATOM 0 HG2 LYS A 69 1.043 -13.380 -7.930 1.00 41.45 H new ATOM 0 HG3 LYS A 69 0.745 -15.076 -7.609 1.00 41.45 H new ATOM 0 HD2 LYS A 69 -0.169 -15.398 -9.883 1.00 30.22 H new ATOM 0 HD3 LYS A 69 -0.060 -13.680 -10.211 1.00 30.22 H new ATOM 0 HE2 LYS A 69 2.432 -13.824 -9.572 1.00 41.34 H new ATOM 0 HE3 LYS A 69 2.251 -15.566 -9.534 1.00 41.34 H new ATOM 0 HZ1 LYS A 69 3.135 -14.823 -11.621 1.00 65.32 H new ATOM 0 HZ2 LYS A 69 1.606 -15.523 -11.852 1.00 65.32 H new ATOM 0 HZ3 LYS A 69 1.781 -13.834 -11.889 1.00 65.32 H new ATOM 1133 N GLN A 70 -3.163 -13.242 -5.286 1.00 15.42 N ATOM 1134 CA GLN A 70 -4.484 -12.740 -4.975 1.00 72.22 C ATOM 1135 C GLN A 70 -4.387 -11.723 -3.843 1.00 73.44 C ATOM 1136 O GLN A 70 -4.966 -10.644 -3.966 1.00 2.02 O ATOM 1137 CB GLN A 70 -5.402 -13.916 -4.640 1.00 55.12 C ATOM 1138 CG GLN A 70 -6.874 -13.541 -4.421 1.00 63.14 C ATOM 1139 CD GLN A 70 -7.558 -12.847 -5.597 1.00 25.15 C ATOM 1140 OE1 GLN A 70 -8.320 -13.457 -6.344 1.00 54.22 O ATOM 1141 NE2 GLN A 70 -7.372 -11.542 -5.735 1.00 61.54 N ATOM 0 H GLN A 70 -3.007 -14.205 -4.987 1.00 15.42 H new ATOM 0 HA GLN A 70 -4.916 -12.224 -5.833 1.00 72.22 H new ATOM 0 HB2 GLN A 70 -5.344 -14.646 -5.448 1.00 55.12 H new ATOM 0 HB3 GLN A 70 -5.029 -14.406 -3.741 1.00 55.12 H new ATOM 0 HG2 GLN A 70 -7.430 -14.448 -4.183 1.00 63.14 H new ATOM 0 HG3 GLN A 70 -6.939 -12.890 -3.550 1.00 63.14 H new ATOM 0 HE21 GLN A 70 -6.737 -11.048 -5.108 1.00 61.54 H new ATOM 0 HE22 GLN A 70 -7.864 -11.031 -6.468 1.00 61.54 H new ATOM 1150 N TRP A 71 -3.635 -12.007 -2.775 1.00 63.41 N ATOM 1151 CA TRP A 71 -3.415 -11.057 -1.706 1.00 1.41 C ATOM 1152 C TRP A 71 -2.588 -9.866 -2.199 1.00 43.13 C ATOM 1153 O TRP A 71 -2.885 -8.742 -1.791 1.00 3.23 O ATOM 1154 CB TRP A 71 -2.815 -11.734 -0.475 1.00 34.40 C ATOM 1155 CG TRP A 71 -3.759 -12.608 0.290 1.00 43.52 C ATOM 1156 CD1 TRP A 71 -3.639 -13.940 0.489 1.00 51.30 C ATOM 1157 CD2 TRP A 71 -4.974 -12.216 0.995 1.00 15.24 C ATOM 1158 NE1 TRP A 71 -4.683 -14.394 1.273 1.00 63.04 N ATOM 1159 CE2 TRP A 71 -5.537 -13.371 1.608 1.00 61.24 C ATOM 1160 CE3 TRP A 71 -5.664 -11.002 1.177 1.00 64.35 C ATOM 1161 CZ2 TRP A 71 -6.727 -13.325 2.345 1.00 11.21 C ATOM 1162 CZ3 TRP A 71 -6.863 -10.939 1.909 1.00 70.25 C ATOM 1163 CH2 TRP A 71 -7.400 -12.101 2.489 1.00 10.30 C ATOM 0 H TRP A 71 -3.167 -12.903 -2.637 1.00 63.41 H new ATOM 0 HA TRP A 71 -4.380 -10.659 -1.391 1.00 1.41 H new ATOM 0 HB2 TRP A 71 -1.961 -12.335 -0.789 1.00 34.40 H new ATOM 0 HB3 TRP A 71 -2.433 -10.964 0.195 1.00 34.40 H new ATOM 0 HD1 TRP A 71 -2.846 -14.557 0.094 1.00 51.30 H new ATOM 0 HE1 TRP A 71 -4.804 -15.364 1.565 1.00 63.04 H new ATOM 0 HE3 TRP A 71 -5.263 -10.098 0.744 1.00 64.35 H new ATOM 0 HZ2 TRP A 71 -7.123 -14.222 2.798 1.00 11.21 H new ATOM 0 HZ3 TRP A 71 -7.373 -9.994 2.026 1.00 70.25 H new ATOM 0 HH2 TRP A 71 -8.326 -12.053 3.043 1.00 10.30 H new ATOM 1174 N ARG A 72 -1.634 -10.069 -3.126 1.00 1.43 N ATOM 1175 CA ARG A 72 -0.824 -8.987 -3.716 1.00 44.24 C ATOM 1176 C ARG A 72 -1.711 -7.851 -4.193 1.00 25.40 C ATOM 1177 O ARG A 72 -1.482 -6.693 -3.841 1.00 72.43 O ATOM 1178 CB ARG A 72 0.103 -9.483 -4.851 1.00 20.22 C ATOM 1179 CG ARG A 72 1.528 -9.863 -4.405 1.00 24.51 C ATOM 1180 CD ARG A 72 2.239 -10.707 -5.468 1.00 4.10 C ATOM 1181 NE ARG A 72 3.642 -10.975 -5.105 1.00 14.41 N ATOM 1182 CZ ARG A 72 4.733 -10.641 -5.805 1.00 35.32 C ATOM 1183 NH1 ARG A 72 4.655 -9.846 -6.869 1.00 54.04 N1+ ATOM 1184 NH2 ARG A 72 5.915 -11.111 -5.439 1.00 74.24 N ATOM 0 H ARG A 72 -1.402 -10.994 -3.489 1.00 1.43 H new ATOM 0 HA ARG A 72 -0.172 -8.614 -2.926 1.00 44.24 H new ATOM 0 HB2 ARG A 72 -0.358 -10.351 -5.324 1.00 20.22 H new ATOM 0 HB3 ARG A 72 0.171 -8.705 -5.611 1.00 20.22 H new ATOM 0 HG2 ARG A 72 2.104 -8.958 -4.211 1.00 24.51 H new ATOM 0 HG3 ARG A 72 1.482 -10.418 -3.468 1.00 24.51 H new ATOM 0 HD2 ARG A 72 1.710 -11.651 -5.596 1.00 4.10 H new ATOM 0 HD3 ARG A 72 2.204 -10.189 -6.427 1.00 4.10 H new ATOM 0 HE ARG A 72 3.799 -11.468 -4.226 1.00 14.41 H new ATOM 0 HH11 ARG A 72 3.751 -9.478 -7.166 1.00 54.04 H new ATOM 0 HH12 ARG A 72 5.499 -9.604 -7.388 1.00 54.04 H new ATOM 0 HH21 ARG A 72 5.991 -11.724 -4.627 1.00 74.24 H new ATOM 0 HH22 ARG A 72 6.750 -10.860 -5.969 1.00 74.24 H new ATOM 1198 N LYS A 73 -2.721 -8.175 -4.993 1.00 64.24 N ATOM 1199 CA LYS A 73 -3.688 -7.205 -5.475 1.00 2.53 C ATOM 1200 C LYS A 73 -4.704 -6.853 -4.393 1.00 1.23 C ATOM 1201 O LYS A 73 -5.019 -5.676 -4.283 1.00 55.21 O ATOM 1202 CB LYS A 73 -4.326 -7.678 -6.790 1.00 34.23 C ATOM 1203 CG LYS A 73 -5.129 -8.978 -6.656 1.00 63.11 C ATOM 1204 CD LYS A 73 -5.655 -9.466 -8.004 1.00 42.23 C ATOM 1205 CE LYS A 73 -4.617 -10.293 -8.761 1.00 22.32 C ATOM 1206 NZ LYS A 73 -5.188 -10.831 -10.008 1.00 41.12 N1+ ATOM 0 H LYS A 73 -2.890 -9.125 -5.325 1.00 64.24 H new ATOM 0 HA LYS A 73 -3.169 -6.275 -5.706 1.00 2.53 H new ATOM 0 HB2 LYS A 73 -4.982 -6.894 -7.167 1.00 34.23 H new ATOM 0 HB3 LYS A 73 -3.541 -7.822 -7.533 1.00 34.23 H new ATOM 0 HG2 LYS A 73 -4.500 -9.749 -6.212 1.00 63.11 H new ATOM 0 HG3 LYS A 73 -5.966 -8.819 -5.976 1.00 63.11 H new ATOM 0 HD2 LYS A 73 -6.551 -10.066 -7.847 1.00 42.23 H new ATOM 0 HD3 LYS A 73 -5.947 -8.609 -8.610 1.00 42.23 H new ATOM 0 HE2 LYS A 73 -3.749 -9.675 -8.990 1.00 22.32 H new ATOM 0 HE3 LYS A 73 -4.268 -11.112 -8.132 1.00 22.32 H new ATOM 0 HZ1 LYS A 73 -4.467 -11.390 -10.507 1.00 41.12 H new ATOM 0 HZ2 LYS A 73 -6.002 -11.438 -9.783 1.00 41.12 H new ATOM 0 HZ3 LYS A 73 -5.499 -10.046 -10.615 1.00 41.12 H new ATOM 1220 N ASN A 74 -5.203 -7.800 -3.581 1.00 53.23 N ATOM 1221 CA ASN A 74 -6.256 -7.520 -2.601 1.00 31.13 C ATOM 1222 C ASN A 74 -5.853 -6.371 -1.679 1.00 50.53 C ATOM 1223 O ASN A 74 -6.668 -5.479 -1.441 1.00 74.44 O ATOM 1224 CB ASN A 74 -6.594 -8.733 -1.715 1.00 21.11 C ATOM 1225 CG ASN A 74 -7.405 -9.859 -2.343 1.00 15.34 C ATOM 1226 OD1 ASN A 74 -8.137 -9.670 -3.314 1.00 63.22 O ATOM 1227 ND2 ASN A 74 -7.336 -11.053 -1.780 1.00 4.44 N ATOM 0 H ASN A 74 -4.889 -8.770 -3.588 1.00 53.23 H new ATOM 0 HA ASN A 74 -7.136 -7.259 -3.189 1.00 31.13 H new ATOM 0 HB2 ASN A 74 -5.657 -9.156 -1.352 1.00 21.11 H new ATOM 0 HB3 ASN A 74 -7.140 -8.371 -0.844 1.00 21.11 H new ATOM 0 HD21 ASN A 74 -7.891 -11.824 -2.150 1.00 4.44 H new ATOM 0 HD22 ASN A 74 -6.727 -11.203 -0.975 1.00 4.44 H new ATOM 1234 N LEU A 75 -4.632 -6.398 -1.129 1.00 65.10 N ATOM 1235 CA LEU A 75 -4.168 -5.379 -0.182 1.00 4.53 C ATOM 1236 C LEU A 75 -4.071 -4.019 -0.880 1.00 24.52 C ATOM 1237 O LEU A 75 -4.615 -3.027 -0.392 1.00 41.55 O ATOM 1238 CB LEU A 75 -2.834 -5.799 0.462 1.00 10.04 C ATOM 1239 CG LEU A 75 -3.001 -6.626 1.758 1.00 13.31 C ATOM 1240 CD1 LEU A 75 -3.589 -8.020 1.514 1.00 32.35 C ATOM 1241 CD2 LEU A 75 -1.649 -6.800 2.456 1.00 54.21 C ATOM 0 H LEU A 75 -3.942 -7.123 -1.327 1.00 65.10 H new ATOM 0 HA LEU A 75 -4.893 -5.285 0.626 1.00 4.53 H new ATOM 0 HB2 LEU A 75 -2.261 -6.382 -0.259 1.00 10.04 H new ATOM 0 HB3 LEU A 75 -2.251 -4.905 0.685 1.00 10.04 H new ATOM 0 HG LEU A 75 -3.698 -6.065 2.380 1.00 13.31 H new ATOM 0 HD11 LEU A 75 -3.680 -8.548 2.463 1.00 32.35 H new ATOM 0 HD12 LEU A 75 -4.573 -7.925 1.056 1.00 32.35 H new ATOM 0 HD13 LEU A 75 -2.932 -8.581 0.849 1.00 32.35 H new ATOM 0 HD21 LEU A 75 -1.782 -7.384 3.367 1.00 54.21 H new ATOM 0 HD22 LEU A 75 -0.960 -7.319 1.790 1.00 54.21 H new ATOM 0 HD23 LEU A 75 -1.242 -5.821 2.709 1.00 54.21 H new ATOM 1253 N TRP A 76 -3.432 -3.987 -2.050 1.00 13.51 N ATOM 1254 CA TRP A 76 -3.335 -2.784 -2.852 1.00 2.42 C ATOM 1255 C TRP A 76 -4.722 -2.206 -3.189 1.00 30.11 C ATOM 1256 O TRP A 76 -4.902 -0.994 -3.070 1.00 22.05 O ATOM 1257 CB TRP A 76 -2.492 -3.077 -4.102 1.00 34.53 C ATOM 1258 CG TRP A 76 -1.001 -2.894 -3.959 1.00 52.32 C ATOM 1259 CD1 TRP A 76 -0.068 -3.806 -4.296 1.00 3.24 C ATOM 1260 CD2 TRP A 76 -0.236 -1.723 -3.525 1.00 74.43 C ATOM 1261 NE1 TRP A 76 1.204 -3.302 -4.102 1.00 61.30 N ATOM 1262 CE2 TRP A 76 1.158 -1.996 -3.672 1.00 73.42 C ATOM 1263 CE3 TRP A 76 -0.576 -0.447 -3.042 1.00 24.41 C ATOM 1264 CZ2 TRP A 76 2.146 -1.041 -3.381 1.00 54.25 C ATOM 1265 CZ3 TRP A 76 0.398 0.529 -2.769 1.00 54.41 C ATOM 1266 CH2 TRP A 76 1.758 0.226 -2.919 1.00 33.11 C ATOM 0 H TRP A 76 -2.970 -4.798 -2.461 1.00 13.51 H new ATOM 0 HA TRP A 76 -2.832 -2.008 -2.276 1.00 2.42 H new ATOM 0 HB2 TRP A 76 -2.683 -4.105 -4.410 1.00 34.53 H new ATOM 0 HB3 TRP A 76 -2.840 -2.432 -4.909 1.00 34.53 H new ATOM 0 HD1 TRP A 76 -0.285 -4.797 -4.667 1.00 3.24 H new ATOM 0 HE1 TRP A 76 2.064 -3.829 -4.257 1.00 61.30 H new ATOM 0 HE3 TRP A 76 -1.616 -0.210 -2.876 1.00 24.41 H new ATOM 0 HZ2 TRP A 76 3.191 -1.279 -3.511 1.00 54.25 H new ATOM 0 HZ3 TRP A 76 0.098 1.514 -2.443 1.00 54.41 H new ATOM 0 HH2 TRP A 76 2.507 0.967 -2.679 1.00 33.11 H new ATOM 1277 N ILE A 77 -5.695 -3.031 -3.589 1.00 1.43 N ATOM 1278 CA ILE A 77 -7.057 -2.595 -3.912 1.00 32.02 C ATOM 1279 C ILE A 77 -7.701 -2.016 -2.657 1.00 35.11 C ATOM 1280 O ILE A 77 -8.306 -0.953 -2.723 1.00 41.01 O ATOM 1281 CB ILE A 77 -7.882 -3.780 -4.475 1.00 24.14 C ATOM 1282 CG1 ILE A 77 -7.345 -4.131 -5.879 1.00 65.31 C ATOM 1283 CG2 ILE A 77 -9.392 -3.476 -4.545 1.00 5.42 C ATOM 1284 CD1 ILE A 77 -7.784 -5.504 -6.400 1.00 32.44 C ATOM 0 H ILE A 77 -5.556 -4.035 -3.699 1.00 1.43 H new ATOM 0 HA ILE A 77 -7.028 -1.823 -4.681 1.00 32.02 H new ATOM 0 HB ILE A 77 -7.768 -4.624 -3.795 1.00 24.14 H new ATOM 0 HG12 ILE A 77 -7.675 -3.367 -6.582 1.00 65.31 H new ATOM 0 HG13 ILE A 77 -6.256 -4.095 -5.857 1.00 65.31 H new ATOM 0 HG21 ILE A 77 -9.919 -4.341 -4.947 1.00 5.42 H new ATOM 0 HG22 ILE A 77 -9.766 -3.256 -3.545 1.00 5.42 H new ATOM 0 HG23 ILE A 77 -9.560 -2.616 -5.193 1.00 5.42 H new ATOM 0 HD11 ILE A 77 -7.362 -5.669 -7.391 1.00 32.44 H new ATOM 0 HD12 ILE A 77 -7.431 -6.281 -5.722 1.00 32.44 H new ATOM 0 HD13 ILE A 77 -8.872 -5.540 -6.458 1.00 32.44 H new ATOM 1296 N PHE A 78 -7.558 -2.701 -1.523 1.00 63.05 N ATOM 1297 CA PHE A 78 -8.102 -2.246 -0.246 1.00 71.52 C ATOM 1298 C PHE A 78 -7.651 -0.817 0.040 1.00 63.24 C ATOM 1299 O PHE A 78 -8.484 0.021 0.378 1.00 12.03 O ATOM 1300 CB PHE A 78 -7.724 -3.193 0.906 1.00 45.03 C ATOM 1301 CG PHE A 78 -8.172 -2.685 2.266 1.00 51.35 C ATOM 1302 CD1 PHE A 78 -9.522 -2.791 2.633 1.00 64.41 C ATOM 1303 CD2 PHE A 78 -7.255 -2.094 3.153 1.00 11.10 C ATOM 1304 CE1 PHE A 78 -9.966 -2.283 3.867 1.00 14.45 C ATOM 1305 CE2 PHE A 78 -7.712 -1.565 4.380 1.00 12.10 C ATOM 1306 CZ PHE A 78 -9.062 -1.666 4.745 1.00 25.55 C ATOM 0 H PHE A 78 -7.060 -3.589 -1.465 1.00 63.05 H new ATOM 0 HA PHE A 78 -9.189 -2.258 -0.320 1.00 71.52 H new ATOM 0 HB2 PHE A 78 -8.169 -4.171 0.725 1.00 45.03 H new ATOM 0 HB3 PHE A 78 -6.643 -3.332 0.915 1.00 45.03 H new ATOM 0 HD1 PHE A 78 -10.224 -3.266 1.964 1.00 64.41 H new ATOM 0 HD2 PHE A 78 -6.207 -2.045 2.897 1.00 11.10 H new ATOM 0 HE1 PHE A 78 -11.007 -2.368 4.140 1.00 14.45 H new ATOM 0 HE2 PHE A 78 -7.014 -1.077 5.044 1.00 12.10 H new ATOM 0 HZ PHE A 78 -9.402 -1.273 5.692 1.00 25.55 H new ATOM 1316 N VAL A 79 -6.357 -0.524 -0.107 1.00 42.13 N ATOM 1317 CA VAL A 79 -5.900 0.852 0.072 1.00 72.11 C ATOM 1318 C VAL A 79 -6.447 1.769 -1.031 1.00 63.14 C ATOM 1319 O VAL A 79 -6.949 2.841 -0.700 1.00 61.34 O ATOM 1320 CB VAL A 79 -4.371 0.937 0.236 1.00 54.40 C ATOM 1321 CG1 VAL A 79 -3.958 2.387 0.548 1.00 35.12 C ATOM 1322 CG2 VAL A 79 -3.927 0.032 1.400 1.00 22.13 C ATOM 0 H VAL A 79 -5.629 -1.198 -0.342 1.00 42.13 H new ATOM 0 HA VAL A 79 -6.313 1.222 1.010 1.00 72.11 H new ATOM 0 HB VAL A 79 -3.897 0.612 -0.690 1.00 54.40 H new ATOM 0 HG11 VAL A 79 -2.875 2.440 0.663 1.00 35.12 H new ATOM 0 HG12 VAL A 79 -4.269 3.038 -0.269 1.00 35.12 H new ATOM 0 HG13 VAL A 79 -4.437 2.711 1.472 1.00 35.12 H new ATOM 0 HG21 VAL A 79 -2.845 0.093 1.516 1.00 22.13 H new ATOM 0 HG22 VAL A 79 -4.409 0.361 2.321 1.00 22.13 H new ATOM 0 HG23 VAL A 79 -4.212 -0.999 1.189 1.00 22.13 H new ATOM 1332 N SER A 80 -6.410 1.357 -2.304 1.00 34.12 N ATOM 1333 CA SER A 80 -6.916 2.123 -3.441 1.00 61.41 C ATOM 1334 C SER A 80 -8.375 2.550 -3.276 1.00 21.53 C ATOM 1335 O SER A 80 -8.797 3.443 -4.001 1.00 43.34 O ATOM 1336 CB SER A 80 -6.789 1.281 -4.717 1.00 54.34 C ATOM 1337 OG SER A 80 -7.143 2.018 -5.871 1.00 43.03 O ATOM 0 H SER A 80 -6.016 0.456 -2.575 1.00 34.12 H new ATOM 0 HA SER A 80 -6.316 3.031 -3.503 1.00 61.41 H new ATOM 0 HB2 SER A 80 -5.764 0.922 -4.815 1.00 54.34 H new ATOM 0 HB3 SER A 80 -7.428 0.402 -4.637 1.00 54.34 H new ATOM 0 HG SER A 80 -7.677 2.797 -5.610 1.00 43.03 H new ATOM 1343 N LYS A 81 -9.162 1.895 -2.419 1.00 14.35 N ATOM 1344 CA LYS A 81 -10.551 2.272 -2.193 1.00 53.15 C ATOM 1345 C LYS A 81 -10.671 3.432 -1.225 1.00 44.31 C ATOM 1346 O LYS A 81 -11.582 4.250 -1.358 1.00 0.54 O ATOM 1347 CB LYS A 81 -11.288 1.062 -1.638 1.00 41.41 C ATOM 1348 CG LYS A 81 -11.527 0.027 -2.736 1.00 35.41 C ATOM 1349 CD LYS A 81 -12.055 -1.234 -2.064 1.00 70.23 C ATOM 1350 CE LYS A 81 -12.795 -2.139 -3.060 1.00 21.01 C ATOM 1351 NZ LYS A 81 -14.105 -1.573 -3.469 1.00 70.41 N1+ ATOM 0 H LYS A 81 -8.853 1.094 -1.868 1.00 14.35 H new ATOM 0 HA LYS A 81 -10.986 2.594 -3.139 1.00 53.15 H new ATOM 0 HB2 LYS A 81 -10.708 0.616 -0.830 1.00 41.41 H new ATOM 0 HB3 LYS A 81 -12.241 1.374 -1.212 1.00 41.41 H new ATOM 0 HG2 LYS A 81 -12.243 0.401 -3.467 1.00 35.41 H new ATOM 0 HG3 LYS A 81 -10.603 -0.183 -3.274 1.00 35.41 H new ATOM 0 HD2 LYS A 81 -11.226 -1.784 -1.619 1.00 70.23 H new ATOM 0 HD3 LYS A 81 -12.728 -0.959 -1.252 1.00 70.23 H new ATOM 0 HE2 LYS A 81 -12.174 -2.287 -3.943 1.00 21.01 H new ATOM 0 HE3 LYS A 81 -12.950 -3.120 -2.611 1.00 21.01 H new ATOM 0 HZ1 LYS A 81 -14.661 -2.303 -3.958 1.00 70.41 H new ATOM 0 HZ2 LYS A 81 -14.622 -1.251 -2.626 1.00 70.41 H new ATOM 0 HZ3 LYS A 81 -13.951 -0.768 -4.109 1.00 70.41 H new ATOM 1365 N PHE A 82 -9.810 3.458 -0.210 1.00 71.53 N ATOM 1366 CA PHE A 82 -9.658 4.604 0.674 1.00 3.11 C ATOM 1367 C PHE A 82 -9.146 5.831 -0.065 1.00 61.04 C ATOM 1368 O PHE A 82 -9.747 6.893 0.085 1.00 45.15 O ATOM 1369 CB PHE A 82 -8.737 4.272 1.854 1.00 72.45 C ATOM 1370 CG PHE A 82 -9.489 3.581 2.962 1.00 40.53 C ATOM 1371 CD1 PHE A 82 -9.690 2.193 2.906 1.00 43.53 C ATOM 1372 CD2 PHE A 82 -10.062 4.337 4.000 1.00 61.03 C ATOM 1373 CE1 PHE A 82 -10.498 1.566 3.861 1.00 11.10 C ATOM 1374 CE2 PHE A 82 -10.862 3.706 4.966 1.00 43.31 C ATOM 1375 CZ PHE A 82 -11.094 2.319 4.890 1.00 61.24 C ATOM 0 H PHE A 82 -9.195 2.677 0.021 1.00 71.53 H new ATOM 0 HA PHE A 82 -10.650 4.839 1.060 1.00 3.11 H new ATOM 0 HB2 PHE A 82 -7.922 3.634 1.513 1.00 72.45 H new ATOM 0 HB3 PHE A 82 -8.286 5.189 2.235 1.00 72.45 H new ATOM 0 HD1 PHE A 82 -9.222 1.610 2.127 1.00 43.53 H new ATOM 0 HD2 PHE A 82 -9.887 5.401 4.054 1.00 61.03 H new ATOM 0 HE1 PHE A 82 -10.665 0.500 3.808 1.00 11.10 H new ATOM 0 HE2 PHE A 82 -11.299 4.284 5.767 1.00 43.31 H new ATOM 0 HZ PHE A 82 -11.727 1.835 5.619 1.00 61.24 H new ATOM 1385 N THR A 83 -8.027 5.722 -0.773 1.00 61.12 N ATOM 1386 CA THR A 83 -7.401 6.894 -1.364 1.00 12.22 C ATOM 1387 C THR A 83 -8.068 7.205 -2.707 1.00 51.24 C ATOM 1388 O THR A 83 -8.758 6.373 -3.294 1.00 21.11 O ATOM 1389 CB THR A 83 -5.885 6.666 -1.478 1.00 21.14 C ATOM 1390 OG1 THR A 83 -5.219 7.808 -1.984 1.00 14.11 O ATOM 1391 CG2 THR A 83 -5.481 5.475 -2.348 1.00 21.44 C ATOM 0 H THR A 83 -7.541 4.843 -0.949 1.00 61.12 H new ATOM 0 HA THR A 83 -7.541 7.769 -0.729 1.00 12.22 H new ATOM 0 HB THR A 83 -5.582 6.454 -0.453 1.00 21.14 H new ATOM 0 HG1 THR A 83 -5.275 8.536 -1.330 1.00 14.11 H new ATOM 0 HG21 THR A 83 -4.394 5.392 -2.370 1.00 21.44 H new ATOM 0 HG22 THR A 83 -5.906 4.561 -1.934 1.00 21.44 H new ATOM 0 HG23 THR A 83 -5.854 5.622 -3.362 1.00 21.44 H new ATOM 1399 N GLU A 84 -7.805 8.393 -3.244 1.00 33.14 N ATOM 1400 CA GLU A 84 -8.028 8.700 -4.642 1.00 74.01 C ATOM 1401 C GLU A 84 -7.066 7.974 -5.595 1.00 43.32 C ATOM 1402 O GLU A 84 -7.358 7.906 -6.795 1.00 63.43 O ATOM 1403 CB GLU A 84 -8.041 10.205 -4.864 1.00 14.25 C ATOM 1404 CG GLU A 84 -6.631 10.754 -4.856 1.00 22.52 C ATOM 1405 CD GLU A 84 -6.628 12.207 -5.284 1.00 53.53 C ATOM 1406 OE1 GLU A 84 -6.911 12.448 -6.483 1.00 15.35 O1- ATOM 1407 OE2 GLU A 84 -6.446 13.094 -4.422 1.00 3.33 O ATOM 0 H GLU A 84 -7.427 9.175 -2.709 1.00 33.14 H new ATOM 0 HA GLU A 84 -9.014 8.311 -4.896 1.00 74.01 H new ATOM 0 HB2 GLU A 84 -8.521 10.434 -5.815 1.00 14.25 H new ATOM 0 HB3 GLU A 84 -8.630 10.688 -4.085 1.00 14.25 H new ATOM 0 HG2 GLU A 84 -6.204 10.661 -3.858 1.00 22.52 H new ATOM 0 HG3 GLU A 84 -6.002 10.169 -5.527 1.00 22.52 H new ATOM 1414 N PHE A 85 -5.898 7.548 -5.101 1.00 73.53 N ATOM 1415 CA PHE A 85 -4.810 7.043 -5.923 1.00 60.43 C ATOM 1416 C PHE A 85 -5.087 5.603 -6.312 1.00 31.05 C ATOM 1417 O PHE A 85 -5.003 4.698 -5.481 1.00 71.34 O ATOM 1418 CB PHE A 85 -3.458 7.182 -5.220 1.00 20.01 C ATOM 1419 CG PHE A 85 -2.852 8.558 -5.386 1.00 53.30 C ATOM 1420 CD1 PHE A 85 -2.117 8.846 -6.551 1.00 1.42 C ATOM 1421 CD2 PHE A 85 -3.013 9.541 -4.392 1.00 44.43 C ATOM 1422 CE1 PHE A 85 -1.488 10.092 -6.699 1.00 70.20 C ATOM 1423 CE2 PHE A 85 -2.383 10.788 -4.539 1.00 63.20 C ATOM 1424 CZ PHE A 85 -1.606 11.054 -5.681 1.00 71.12 C ATOM 0 H PHE A 85 -5.686 7.547 -4.103 1.00 73.53 H new ATOM 0 HA PHE A 85 -4.754 7.646 -6.829 1.00 60.43 H new ATOM 0 HB2 PHE A 85 -3.582 6.970 -4.158 1.00 20.01 H new ATOM 0 HB3 PHE A 85 -2.769 6.436 -5.616 1.00 20.01 H new ATOM 0 HD1 PHE A 85 -2.037 8.106 -7.334 1.00 1.42 H new ATOM 0 HD2 PHE A 85 -3.618 9.338 -3.521 1.00 44.43 H new ATOM 0 HE1 PHE A 85 -0.917 10.310 -7.589 1.00 70.20 H new ATOM 0 HE2 PHE A 85 -2.495 11.543 -3.775 1.00 63.20 H new ATOM 0 HZ PHE A 85 -1.098 12.002 -5.776 1.00 71.12 H new ATOM 1434 N ASP A 86 -5.411 5.419 -7.590 1.00 63.21 N ATOM 1435 CA ASP A 86 -5.799 4.122 -8.118 1.00 42.44 C ATOM 1436 C ASP A 86 -4.706 3.099 -7.883 1.00 50.23 C ATOM 1437 O ASP A 86 -3.513 3.419 -7.846 1.00 3.02 O ATOM 1438 CB ASP A 86 -5.978 4.175 -9.627 1.00 35.42 C ATOM 1439 CG ASP A 86 -6.910 3.129 -10.199 1.00 61.50 C ATOM 1440 OD1 ASP A 86 -7.943 2.801 -9.579 1.00 54.44 O ATOM 1441 OD2 ASP A 86 -6.599 2.632 -11.299 1.00 23.14 O1- ATOM 0 H ASP A 86 -5.411 6.166 -8.284 1.00 63.21 H new ATOM 0 HA ASP A 86 -6.727 3.853 -7.613 1.00 42.44 H new ATOM 0 HB2 ASP A 86 -6.354 5.162 -9.899 1.00 35.42 H new ATOM 0 HB3 ASP A 86 -5.001 4.065 -10.097 1.00 35.42 H new ATOM 1446 N ALA A 87 -5.111 1.842 -7.926 1.00 34.50 N ATOM 1447 CA ALA A 87 -4.225 0.726 -7.645 1.00 54.34 C ATOM 1448 C ALA A 87 -3.008 0.722 -8.571 1.00 42.15 C ATOM 1449 O ALA A 87 -1.904 0.400 -8.133 1.00 54.10 O ATOM 1450 CB ALA A 87 -4.980 -0.609 -7.655 1.00 13.05 C ATOM 0 H ALA A 87 -6.065 1.566 -8.157 1.00 34.50 H new ATOM 0 HA ALA A 87 -3.840 0.857 -6.634 1.00 54.34 H new ATOM 0 HB1 ALA A 87 -4.285 -1.421 -7.441 1.00 13.05 H new ATOM 0 HB2 ALA A 87 -5.762 -0.591 -6.896 1.00 13.05 H new ATOM 0 HB3 ALA A 87 -5.430 -0.765 -8.635 1.00 13.05 H new ATOM 1456 N ARG A 88 -3.199 1.141 -9.825 1.00 54.42 N ATOM 1457 CA ARG A 88 -2.151 1.338 -10.823 1.00 71.23 C ATOM 1458 C ARG A 88 -1.167 2.426 -10.381 1.00 35.22 C ATOM 1459 O ARG A 88 0.048 2.206 -10.394 1.00 74.21 O ATOM 1460 CB ARG A 88 -2.824 1.693 -12.165 1.00 33.21 C ATOM 1461 CG ARG A 88 -3.645 0.520 -12.735 1.00 42.33 C ATOM 1462 CD ARG A 88 -4.750 0.949 -13.709 1.00 12.42 C ATOM 1463 NE ARG A 88 -4.241 1.507 -14.971 1.00 52.53 N ATOM 1464 CZ ARG A 88 -5.009 1.961 -15.968 1.00 51.53 C ATOM 1465 NH1 ARG A 88 -6.331 1.984 -15.849 1.00 3.04 N1+ ATOM 1466 NH2 ARG A 88 -4.446 2.387 -17.090 1.00 13.42 N ATOM 0 H ARG A 88 -4.128 1.361 -10.185 1.00 54.42 H new ATOM 0 HA ARG A 88 -1.570 0.423 -10.939 1.00 71.23 H new ATOM 0 HB2 ARG A 88 -3.475 2.556 -12.025 1.00 33.21 H new ATOM 0 HB3 ARG A 88 -2.060 1.984 -12.886 1.00 33.21 H new ATOM 0 HG2 ARG A 88 -2.971 -0.168 -13.246 1.00 42.33 H new ATOM 0 HG3 ARG A 88 -4.096 -0.030 -11.909 1.00 42.33 H new ATOM 0 HD2 ARG A 88 -5.381 0.088 -13.931 1.00 12.42 H new ATOM 0 HD3 ARG A 88 -5.383 1.691 -13.223 1.00 12.42 H new ATOM 0 HE ARG A 88 -3.230 1.551 -15.095 1.00 52.53 H new ATOM 0 HH11 ARG A 88 -6.772 1.653 -14.991 1.00 3.04 H new ATOM 0 HH12 ARG A 88 -6.906 2.332 -16.616 1.00 3.04 H new ATOM 0 HH21 ARG A 88 -3.431 2.368 -17.191 1.00 13.42 H new ATOM 0 HH22 ARG A 88 -5.028 2.734 -17.853 1.00 13.42 H new ATOM 1480 N LYS A 89 -1.682 3.607 -10.012 1.00 15.10 N ATOM 1481 CA LYS A 89 -0.877 4.763 -9.624 1.00 14.14 C ATOM 1482 C LYS A 89 -0.093 4.451 -8.351 1.00 2.34 C ATOM 1483 O LYS A 89 1.118 4.665 -8.327 1.00 51.34 O ATOM 1484 CB LYS A 89 -1.736 6.027 -9.413 1.00 41.42 C ATOM 1485 CG LYS A 89 -2.289 6.705 -10.682 1.00 43.13 C ATOM 1486 CD LYS A 89 -3.610 6.150 -11.217 1.00 64.32 C ATOM 1487 CE LYS A 89 -4.131 7.045 -12.352 1.00 13.54 C ATOM 1488 NZ LYS A 89 -5.543 6.777 -12.697 1.00 75.22 N1+ ATOM 0 H LYS A 89 -2.686 3.784 -9.976 1.00 15.10 H new ATOM 0 HA LYS A 89 -0.187 4.968 -10.442 1.00 14.14 H new ATOM 0 HB2 LYS A 89 -2.578 5.764 -8.773 1.00 41.42 H new ATOM 0 HB3 LYS A 89 -1.138 6.758 -8.869 1.00 41.42 H new ATOM 0 HG2 LYS A 89 -2.421 7.767 -10.474 1.00 43.13 H new ATOM 0 HG3 LYS A 89 -1.539 6.625 -11.469 1.00 43.13 H new ATOM 0 HD2 LYS A 89 -3.466 5.133 -11.581 1.00 64.32 H new ATOM 0 HD3 LYS A 89 -4.346 6.100 -10.414 1.00 64.32 H new ATOM 0 HE2 LYS A 89 -4.026 8.090 -12.061 1.00 13.54 H new ATOM 0 HE3 LYS A 89 -3.512 6.897 -13.237 1.00 13.54 H new ATOM 0 HZ1 LYS A 89 -5.838 7.410 -13.468 1.00 75.22 H new ATOM 0 HZ2 LYS A 89 -5.644 5.788 -13.003 1.00 75.22 H new ATOM 0 HZ3 LYS A 89 -6.142 6.944 -11.863 1.00 75.22 H new ATOM 1502 N LEU A 90 -0.761 3.951 -7.308 1.00 2.34 N ATOM 1503 CA LEU A 90 -0.148 3.656 -6.015 1.00 62.33 C ATOM 1504 C LEU A 90 1.077 2.754 -6.216 1.00 70.22 C ATOM 1505 O LEU A 90 2.157 3.016 -5.685 1.00 13.11 O ATOM 1506 CB LEU A 90 -1.183 2.996 -5.074 1.00 42.24 C ATOM 1507 CG LEU A 90 -1.488 3.830 -3.814 1.00 14.23 C ATOM 1508 CD1 LEU A 90 -2.570 3.149 -2.970 1.00 34.32 C ATOM 1509 CD2 LEU A 90 -0.242 4.141 -2.973 1.00 43.35 C ATOM 0 H LEU A 90 -1.758 3.737 -7.341 1.00 2.34 H new ATOM 0 HA LEU A 90 0.184 4.584 -5.549 1.00 62.33 H new ATOM 0 HB2 LEU A 90 -2.109 2.831 -5.624 1.00 42.24 H new ATOM 0 HB3 LEU A 90 -0.814 2.016 -4.771 1.00 42.24 H new ATOM 0 HG LEU A 90 -1.861 4.794 -4.160 1.00 14.23 H new ATOM 0 HD11 LEU A 90 -2.773 3.751 -2.084 1.00 34.32 H new ATOM 0 HD12 LEU A 90 -3.482 3.050 -3.559 1.00 34.32 H new ATOM 0 HD13 LEU A 90 -2.226 2.161 -2.666 1.00 34.32 H new ATOM 0 HD21 LEU A 90 -0.529 4.730 -2.102 1.00 43.35 H new ATOM 0 HD22 LEU A 90 0.218 3.209 -2.645 1.00 43.35 H new ATOM 0 HD23 LEU A 90 0.471 4.705 -3.574 1.00 43.35 H new ATOM 1521 N HIS A 91 0.919 1.715 -7.041 1.00 11.24 N ATOM 1522 CA HIS A 91 1.952 0.738 -7.345 1.00 44.30 C ATOM 1523 C HIS A 91 3.209 1.380 -7.930 1.00 65.40 C ATOM 1524 O HIS A 91 4.322 1.058 -7.499 1.00 62.10 O ATOM 1525 CB HIS A 91 1.399 -0.294 -8.332 1.00 74.21 C ATOM 1526 CG HIS A 91 2.078 -1.624 -8.223 1.00 23.33 C ATOM 1527 ND1 HIS A 91 1.712 -2.630 -7.362 1.00 12.20 N ATOM 1528 CD2 HIS A 91 3.189 -2.030 -8.905 1.00 63.15 C ATOM 1529 CE1 HIS A 91 2.599 -3.626 -7.503 1.00 30.45 C ATOM 1530 NE2 HIS A 91 3.521 -3.301 -8.428 1.00 10.32 N ATOM 0 H HIS A 91 0.041 1.531 -7.527 1.00 11.24 H new ATOM 0 HA HIS A 91 2.237 0.259 -6.408 1.00 44.30 H new ATOM 0 HB2 HIS A 91 0.331 -0.421 -8.157 1.00 74.21 H new ATOM 0 HB3 HIS A 91 1.513 0.084 -9.348 1.00 74.21 H new ATOM 0 HD2 HIS A 91 3.712 -1.474 -9.669 1.00 63.15 H new ATOM 0 HE1 HIS A 91 2.577 -4.555 -6.953 1.00 30.45 H new ATOM 0 HE2 HIS A 91 4.312 -3.873 -8.724 1.00 10.32 H new ATOM 1538 N LYS A 92 3.056 2.215 -8.973 1.00 0.33 N ATOM 1539 CA LYS A 92 4.223 2.807 -9.627 1.00 62.41 C ATOM 1540 C LYS A 92 4.890 3.778 -8.663 1.00 4.02 C ATOM 1541 O LYS A 92 6.107 3.703 -8.497 1.00 61.24 O ATOM 1542 CB LYS A 92 3.909 3.399 -11.019 1.00 22.30 C ATOM 1543 CG LYS A 92 3.056 4.676 -11.054 1.00 2.40 C ATOM 1544 CD LYS A 92 2.678 5.052 -12.492 1.00 24.33 C ATOM 1545 CE LYS A 92 1.720 6.251 -12.543 1.00 65.23 C ATOM 1546 NZ LYS A 92 2.399 7.561 -12.511 1.00 43.32 N1+ ATOM 0 H LYS A 92 2.156 2.487 -9.369 1.00 0.33 H new ATOM 0 HA LYS A 92 4.942 2.020 -9.856 1.00 62.41 H new ATOM 0 HB2 LYS A 92 4.854 3.608 -11.520 1.00 22.30 H new ATOM 0 HB3 LYS A 92 3.400 2.635 -11.606 1.00 22.30 H new ATOM 0 HG2 LYS A 92 2.151 4.528 -10.464 1.00 2.40 H new ATOM 0 HG3 LYS A 92 3.606 5.497 -10.594 1.00 2.40 H new ATOM 0 HD2 LYS A 92 3.582 5.287 -13.054 1.00 24.33 H new ATOM 0 HD3 LYS A 92 2.212 4.196 -12.980 1.00 24.33 H new ATOM 0 HE2 LYS A 92 1.120 6.186 -13.451 1.00 65.23 H new ATOM 0 HE3 LYS A 92 1.031 6.189 -11.701 1.00 65.23 H new ATOM 0 HZ1 LYS A 92 1.690 8.321 -12.549 1.00 43.32 H new ATOM 0 HZ2 LYS A 92 2.950 7.645 -11.633 1.00 43.32 H new ATOM 0 HZ3 LYS A 92 3.036 7.642 -13.329 1.00 43.32 H new ATOM 1560 N LEU A 93 4.105 4.626 -7.986 1.00 63.33 N ATOM 1561 CA LEU A 93 4.611 5.576 -7.004 1.00 20.11 C ATOM 1562 C LEU A 93 5.499 4.852 -5.996 1.00 43.43 C ATOM 1563 O LEU A 93 6.641 5.274 -5.794 1.00 62.13 O ATOM 1564 CB LEU A 93 3.457 6.304 -6.292 1.00 1.11 C ATOM 1565 CG LEU A 93 2.757 7.383 -7.139 1.00 52.21 C ATOM 1566 CD1 LEU A 93 1.419 7.766 -6.501 1.00 23.33 C ATOM 1567 CD2 LEU A 93 3.631 8.639 -7.271 1.00 24.41 C ATOM 0 H LEU A 93 3.093 4.667 -8.110 1.00 63.33 H new ATOM 0 HA LEU A 93 5.205 6.329 -7.522 1.00 20.11 H new ATOM 0 HB2 LEU A 93 2.716 5.567 -5.983 1.00 1.11 H new ATOM 0 HB3 LEU A 93 3.843 6.768 -5.384 1.00 1.11 H new ATOM 0 HG LEU A 93 2.588 6.969 -8.133 1.00 52.21 H new ATOM 0 HD11 LEU A 93 0.932 8.530 -7.108 1.00 23.33 H new ATOM 0 HD12 LEU A 93 0.779 6.886 -6.443 1.00 23.33 H new ATOM 0 HD13 LEU A 93 1.593 8.156 -5.498 1.00 23.33 H new ATOM 0 HD21 LEU A 93 3.110 9.383 -7.874 1.00 24.41 H new ATOM 0 HD22 LEU A 93 3.830 9.049 -6.281 1.00 24.41 H new ATOM 0 HD23 LEU A 93 4.574 8.377 -7.752 1.00 24.41 H new ATOM 1579 N TYR A 94 5.009 3.745 -5.428 1.00 62.42 N ATOM 1580 CA TYR A 94 5.745 2.908 -4.494 1.00 42.52 C ATOM 1581 C TYR A 94 7.057 2.399 -5.076 1.00 73.20 C ATOM 1582 O TYR A 94 8.106 2.708 -4.509 1.00 63.02 O ATOM 1583 CB TYR A 94 4.879 1.748 -4.001 1.00 5.32 C ATOM 1584 CG TYR A 94 5.628 0.829 -3.054 1.00 33.45 C ATOM 1585 CD1 TYR A 94 5.875 1.250 -1.736 1.00 12.54 C ATOM 1586 CD2 TYR A 94 6.150 -0.401 -3.502 1.00 3.30 C ATOM 1587 CE1 TYR A 94 6.648 0.448 -0.882 1.00 73.21 C ATOM 1588 CE2 TYR A 94 6.922 -1.207 -2.646 1.00 21.21 C ATOM 1589 CZ TYR A 94 7.179 -0.775 -1.329 1.00 54.02 C ATOM 1590 OH TYR A 94 7.947 -1.501 -0.475 1.00 52.45 O ATOM 0 H TYR A 94 4.066 3.404 -5.614 1.00 62.42 H new ATOM 0 HA TYR A 94 6.001 3.536 -3.641 1.00 42.52 H new ATOM 0 HB2 TYR A 94 3.998 2.145 -3.497 1.00 5.32 H new ATOM 0 HB3 TYR A 94 4.525 1.173 -4.857 1.00 5.32 H new ATOM 0 HD1 TYR A 94 5.472 2.187 -1.382 1.00 12.54 H new ATOM 0 HD2 TYR A 94 5.955 -0.728 -4.513 1.00 3.30 H new ATOM 0 HE1 TYR A 94 6.837 0.774 0.130 1.00 73.21 H new ATOM 0 HE2 TYR A 94 7.315 -2.150 -2.995 1.00 21.21 H new ATOM 0 HH TYR A 94 8.244 -2.322 -0.920 1.00 52.45 H new ATOM 1600 N LYS A 95 7.034 1.616 -6.167 1.00 41.45 N ATOM 1601 CA LYS A 95 8.268 0.952 -6.607 1.00 54.30 C ATOM 1602 C LYS A 95 9.340 1.985 -6.977 1.00 22.23 C ATOM 1603 O LYS A 95 10.508 1.830 -6.611 1.00 35.23 O ATOM 1604 CB LYS A 95 8.009 -0.070 -7.729 1.00 32.21 C ATOM 1605 CG LYS A 95 8.845 -1.360 -7.584 1.00 61.25 C ATOM 1606 CD LYS A 95 8.455 -2.221 -6.362 1.00 54.15 C ATOM 1607 CE LYS A 95 8.902 -3.683 -6.513 1.00 22.41 C ATOM 1608 NZ LYS A 95 9.945 -4.110 -5.551 1.00 12.11 N1+ ATOM 0 H LYS A 95 6.210 1.433 -6.739 1.00 41.45 H new ATOM 0 HA LYS A 95 8.655 0.374 -5.768 1.00 54.30 H new ATOM 0 HB2 LYS A 95 6.951 -0.330 -7.737 1.00 32.21 H new ATOM 0 HB3 LYS A 95 8.231 0.392 -8.691 1.00 32.21 H new ATOM 0 HG2 LYS A 95 8.733 -1.958 -8.489 1.00 61.25 H new ATOM 0 HG3 LYS A 95 9.899 -1.092 -7.507 1.00 61.25 H new ATOM 0 HD2 LYS A 95 8.904 -1.797 -5.464 1.00 54.15 H new ATOM 0 HD3 LYS A 95 7.374 -2.186 -6.226 1.00 54.15 H new ATOM 0 HE2 LYS A 95 8.032 -4.329 -6.397 1.00 22.41 H new ATOM 0 HE3 LYS A 95 9.277 -3.832 -7.526 1.00 22.41 H new ATOM 0 HZ1 LYS A 95 10.188 -5.107 -5.722 1.00 12.11 H new ATOM 0 HZ2 LYS A 95 10.793 -3.521 -5.674 1.00 12.11 H new ATOM 0 HZ3 LYS A 95 9.587 -4.003 -4.580 1.00 12.11 H new ATOM 1622 N HIS A 96 8.931 3.080 -7.632 1.00 2.14 N ATOM 1623 CA HIS A 96 9.802 4.225 -7.870 1.00 2.00 C ATOM 1624 C HIS A 96 10.394 4.728 -6.550 1.00 64.43 C ATOM 1625 O HIS A 96 11.592 4.986 -6.491 1.00 42.32 O ATOM 1626 CB HIS A 96 9.035 5.382 -8.525 1.00 24.51 C ATOM 1627 CG HIS A 96 8.912 5.366 -10.028 1.00 14.41 C ATOM 1628 ND1 HIS A 96 9.571 6.229 -10.874 1.00 42.35 N ATOM 1629 CD2 HIS A 96 8.004 4.674 -10.781 1.00 62.44 C ATOM 1630 CE1 HIS A 96 9.056 6.080 -12.101 1.00 43.34 C ATOM 1631 NE2 HIS A 96 8.064 5.172 -12.087 1.00 62.31 N ATOM 0 H HIS A 96 7.989 3.191 -8.008 1.00 2.14 H new ATOM 0 HA HIS A 96 10.596 3.893 -8.539 1.00 2.00 H new ATOM 0 HB2 HIS A 96 8.030 5.401 -8.104 1.00 24.51 H new ATOM 0 HB3 HIS A 96 9.520 6.315 -8.236 1.00 24.51 H new ATOM 0 HD2 HIS A 96 7.356 3.884 -10.430 1.00 62.44 H new ATOM 0 HE1 HIS A 96 9.390 6.614 -12.978 1.00 43.34 H new ATOM 0 HE2 HIS A 96 7.473 4.900 -12.873 1.00 62.31 H new ATOM 1639 N ALA A 97 9.576 4.921 -5.512 1.00 74.32 N ATOM 1640 CA ALA A 97 10.002 5.558 -4.276 1.00 62.11 C ATOM 1641 C ALA A 97 10.968 4.702 -3.456 1.00 21.45 C ATOM 1642 O ALA A 97 11.940 5.254 -2.935 1.00 62.01 O ATOM 1643 CB ALA A 97 8.794 5.903 -3.419 1.00 12.11 C ATOM 0 H ALA A 97 8.597 4.636 -5.511 1.00 74.32 H new ATOM 0 HA ALA A 97 10.536 6.462 -4.569 1.00 62.11 H new ATOM 0 HB1 ALA A 97 9.126 6.379 -2.497 1.00 12.11 H new ATOM 0 HB2 ALA A 97 8.143 6.585 -3.966 1.00 12.11 H new ATOM 0 HB3 ALA A 97 8.246 4.992 -3.180 1.00 12.11 H new ATOM 1649 N ILE A 98 10.731 3.388 -3.335 1.00 4.01 N ATOM 1650 CA ILE A 98 11.696 2.500 -2.681 1.00 65.43 C ATOM 1651 C ILE A 98 12.999 2.549 -3.480 1.00 70.52 C ATOM 1652 O ILE A 98 14.056 2.836 -2.914 1.00 31.14 O ATOM 1653 CB ILE A 98 11.142 1.069 -2.453 1.00 34.23 C ATOM 1654 CG1 ILE A 98 12.150 0.180 -1.689 1.00 72.03 C ATOM 1655 CG2 ILE A 98 10.704 0.338 -3.728 1.00 12.03 C ATOM 1656 CD1 ILE A 98 12.043 0.372 -0.177 1.00 25.45 C ATOM 0 H ILE A 98 9.890 2.923 -3.677 1.00 4.01 H new ATOM 0 HA ILE A 98 11.897 2.850 -1.669 1.00 65.43 H new ATOM 0 HB ILE A 98 10.246 1.229 -1.853 1.00 34.23 H new ATOM 0 HG12 ILE A 98 11.972 -0.867 -1.936 1.00 72.03 H new ATOM 0 HG13 ILE A 98 13.163 0.416 -2.015 1.00 72.03 H new ATOM 0 HG21 ILE A 98 10.332 -0.653 -3.469 1.00 12.03 H new ATOM 0 HG22 ILE A 98 9.914 0.906 -4.220 1.00 12.03 H new ATOM 0 HG23 ILE A 98 11.555 0.241 -4.402 1.00 12.03 H new ATOM 0 HD11 ILE A 98 12.768 -0.270 0.324 1.00 25.45 H new ATOM 0 HD12 ILE A 98 12.247 1.413 0.073 1.00 25.45 H new ATOM 0 HD13 ILE A 98 11.038 0.110 0.153 1.00 25.45 H new ATOM 1668 N LYS A 99 12.929 2.389 -4.809 1.00 65.44 N ATOM 1669 CA LYS A 99 14.132 2.479 -5.641 1.00 2.32 C ATOM 1670 C LYS A 99 14.806 3.848 -5.528 1.00 44.52 C ATOM 1671 O LYS A 99 16.023 3.926 -5.675 1.00 12.43 O ATOM 1672 CB LYS A 99 13.807 2.122 -7.099 1.00 70.12 C ATOM 1673 CG LYS A 99 13.526 0.615 -7.234 1.00 70.31 C ATOM 1674 CD LYS A 99 13.155 0.238 -8.671 1.00 52.12 C ATOM 1675 CE LYS A 99 12.946 -1.279 -8.764 1.00 11.33 C ATOM 1676 NZ LYS A 99 12.448 -1.702 -10.089 1.00 60.11 N1+ ATOM 0 H LYS A 99 12.068 2.200 -5.322 1.00 65.44 H new ATOM 0 HA LYS A 99 14.851 1.750 -5.267 1.00 2.32 H new ATOM 0 HB2 LYS A 99 12.940 2.691 -7.435 1.00 70.12 H new ATOM 0 HB3 LYS A 99 14.641 2.402 -7.743 1.00 70.12 H new ATOM 0 HG2 LYS A 99 14.406 0.051 -6.925 1.00 70.31 H new ATOM 0 HG3 LYS A 99 12.715 0.334 -6.562 1.00 70.31 H new ATOM 0 HD2 LYS A 99 12.247 0.760 -8.972 1.00 52.12 H new ATOM 0 HD3 LYS A 99 13.944 0.550 -9.355 1.00 52.12 H new ATOM 0 HE2 LYS A 99 13.888 -1.786 -8.555 1.00 11.33 H new ATOM 0 HE3 LYS A 99 12.238 -1.593 -7.997 1.00 11.33 H new ATOM 0 HZ1 LYS A 99 12.324 -2.734 -10.100 1.00 60.11 H new ATOM 0 HZ2 LYS A 99 11.535 -1.241 -10.280 1.00 60.11 H new ATOM 0 HZ3 LYS A 99 13.134 -1.428 -10.821 1.00 60.11 H new ATOM 1690 N LYS A 100 14.060 4.916 -5.229 1.00 42.13 N ATOM 1691 CA LYS A 100 14.607 6.247 -4.999 1.00 4.50 C ATOM 1692 C LYS A 100 15.396 6.311 -3.695 1.00 64.53 C ATOM 1693 O LYS A 100 16.307 7.131 -3.622 1.00 65.31 O ATOM 1694 CB LYS A 100 13.477 7.300 -5.034 1.00 23.44 C ATOM 1695 CG LYS A 100 13.959 8.755 -5.133 1.00 42.32 C ATOM 1696 CD LYS A 100 14.288 9.455 -3.798 1.00 74.15 C ATOM 1697 CE LYS A 100 15.587 10.263 -3.941 1.00 14.21 C ATOM 1698 NZ LYS A 100 15.711 11.369 -2.969 1.00 55.41 N1+ ATOM 0 H LYS A 100 13.045 4.874 -5.140 1.00 42.13 H new ATOM 0 HA LYS A 100 15.309 6.473 -5.802 1.00 4.50 H new ATOM 0 HB2 LYS A 100 12.827 7.088 -5.883 1.00 23.44 H new ATOM 0 HB3 LYS A 100 12.871 7.193 -4.135 1.00 23.44 H new ATOM 0 HG2 LYS A 100 14.849 8.779 -5.761 1.00 42.32 H new ATOM 0 HG3 LYS A 100 13.192 9.336 -5.645 1.00 42.32 H new ATOM 0 HD2 LYS A 100 13.469 10.114 -3.511 1.00 74.15 H new ATOM 0 HD3 LYS A 100 14.395 8.715 -3.005 1.00 74.15 H new ATOM 0 HE2 LYS A 100 16.437 9.591 -3.823 1.00 14.21 H new ATOM 0 HE3 LYS A 100 15.641 10.671 -4.950 1.00 14.21 H new ATOM 0 HZ1 LYS A 100 16.610 11.869 -3.125 1.00 55.41 H new ATOM 0 HZ2 LYS A 100 14.920 12.032 -3.095 1.00 55.41 H new ATOM 0 HZ3 LYS A 100 15.691 10.986 -2.002 1.00 55.41 H new ATOM 1712 N ARG A 101 15.043 5.523 -2.673 1.00 13.00 N ATOM 1713 CA ARG A 101 15.722 5.529 -1.382 1.00 21.24 C ATOM 1714 C ARG A 101 16.937 4.603 -1.382 1.00 32.44 C ATOM 1715 O ARG A 101 17.882 4.891 -0.654 1.00 41.23 O ATOM 1716 CB ARG A 101 14.730 5.130 -0.270 1.00 43.10 C ATOM 1717 CG ARG A 101 14.928 5.926 1.030 1.00 13.42 C ATOM 1718 CD ARG A 101 14.634 7.419 0.803 1.00 31.55 C ATOM 1719 NE ARG A 101 14.116 8.091 2.006 1.00 14.22 N ATOM 1720 CZ ARG A 101 14.227 9.394 2.286 1.00 32.10 C ATOM 1721 NH1 ARG A 101 14.929 10.208 1.512 1.00 32.33 N1+ ATOM 1722 NH2 ARG A 101 13.633 9.903 3.354 1.00 74.22 N ATOM 0 H ARG A 101 14.270 4.859 -2.724 1.00 13.00 H new ATOM 0 HA ARG A 101 16.086 6.539 -1.191 1.00 21.24 H new ATOM 0 HB2 ARG A 101 13.712 5.280 -0.629 1.00 43.10 H new ATOM 0 HB3 ARG A 101 14.840 4.066 -0.058 1.00 43.10 H new ATOM 0 HG2 ARG A 101 14.270 5.534 1.806 1.00 13.42 H new ATOM 0 HG3 ARG A 101 15.951 5.802 1.386 1.00 13.42 H new ATOM 0 HD2 ARG A 101 15.547 7.919 0.479 1.00 31.55 H new ATOM 0 HD3 ARG A 101 13.910 7.523 -0.005 1.00 31.55 H new ATOM 0 HE ARG A 101 13.628 7.510 2.688 1.00 14.22 H new ATOM 0 HH11 ARG A 101 15.399 9.844 0.683 1.00 32.33 H new ATOM 0 HH12 ARG A 101 15.000 11.198 1.745 1.00 32.33 H new ATOM 0 HH21 ARG A 101 13.086 9.300 3.969 1.00 74.22 H new ATOM 0 HH22 ARG A 101 13.722 10.898 3.562 1.00 74.22 H new ATOM 1736 N GLN A 102 16.893 3.525 -2.178 1.00 34.41 N ATOM 1737 CA GLN A 102 17.966 2.564 -2.449 1.00 70.10 C ATOM 1738 C GLN A 102 18.739 2.099 -1.204 1.00 61.44 C ATOM 1739 O GLN A 102 19.954 1.926 -1.254 1.00 72.53 O ATOM 1740 CB GLN A 102 18.861 3.037 -3.614 1.00 2.55 C ATOM 1741 CG GLN A 102 19.719 4.297 -3.371 1.00 72.35 C ATOM 1742 CD GLN A 102 19.248 5.551 -4.119 1.00 41.42 C ATOM 1743 OE1 GLN A 102 19.103 6.625 -3.539 1.00 50.15 O ATOM 1744 NE2 GLN A 102 19.027 5.469 -5.424 1.00 20.33 N ATOM 0 H GLN A 102 16.041 3.286 -2.686 1.00 34.41 H new ATOM 0 HA GLN A 102 17.479 1.648 -2.782 1.00 70.10 H new ATOM 0 HB2 GLN A 102 19.529 2.219 -3.882 1.00 2.55 H new ATOM 0 HB3 GLN A 102 18.223 3.223 -4.478 1.00 2.55 H new ATOM 0 HG2 GLN A 102 19.730 4.511 -2.302 1.00 72.35 H new ATOM 0 HG3 GLN A 102 20.747 4.081 -3.663 1.00 72.35 H new ATOM 0 HE21 GLN A 102 19.147 4.578 -5.907 1.00 20.33 H new ATOM 0 HE22 GLN A 102 18.737 6.297 -5.945 1.00 20.33 H new ATOM 1753 N GLU A 103 18.051 1.915 -0.066 1.00 12.25 N ATOM 1754 CA GLU A 103 18.646 1.551 1.220 1.00 25.11 C ATOM 1755 C GLU A 103 19.775 2.496 1.660 1.00 60.21 C ATOM 1756 O GLU A 103 20.713 2.074 2.335 1.00 74.11 O ATOM 1757 CB GLU A 103 19.061 0.065 1.234 1.00 24.43 C ATOM 1758 CG GLU A 103 17.917 -0.892 0.863 1.00 2.13 C ATOM 1759 CD GLU A 103 18.081 -1.478 -0.539 1.00 32.20 C ATOM 1760 OE1 GLU A 103 18.835 -2.471 -0.686 1.00 44.44 O1- ATOM 1761 OE2 GLU A 103 17.396 -1.010 -1.472 1.00 72.01 O ATOM 0 H GLU A 103 17.037 2.019 -0.019 1.00 12.25 H new ATOM 0 HA GLU A 103 17.872 1.680 1.977 1.00 25.11 H new ATOM 0 HB2 GLU A 103 19.887 -0.080 0.537 1.00 24.43 H new ATOM 0 HB3 GLU A 103 19.432 -0.192 2.226 1.00 24.43 H new ATOM 0 HG2 GLU A 103 17.875 -1.703 1.590 1.00 2.13 H new ATOM 0 HG3 GLU A 103 16.968 -0.360 0.923 1.00 2.13 H new ATOM 1768 N SER A 104 19.696 3.772 1.278 1.00 64.23 N ATOM 1769 CA SER A 104 20.501 4.838 1.853 1.00 2.21 C ATOM 1770 C SER A 104 19.683 5.640 2.836 1.00 64.02 C ATOM 1771 O SER A 104 19.701 5.309 4.020 1.00 13.35 O ATOM 1772 CB SER A 104 21.137 5.696 0.749 1.00 15.03 C ATOM 1773 OG SER A 104 22.418 5.214 0.407 1.00 22.12 O ATOM 0 H SER A 104 19.059 4.093 0.549 1.00 64.23 H new ATOM 0 HA SER A 104 21.328 4.405 2.415 1.00 2.21 H new ATOM 0 HB2 SER A 104 20.496 5.693 -0.133 1.00 15.03 H new ATOM 0 HB3 SER A 104 21.212 6.730 1.085 1.00 15.03 H new ATOM 0 HG SER A 104 22.801 5.776 -0.299 1.00 22.12 H new ATOM 1779 N GLN A 105 18.929 6.637 2.369 1.00 14.34 N ATOM 1780 CA GLN A 105 18.521 7.756 3.202 1.00 24.32 C ATOM 1781 C GLN A 105 19.774 8.497 3.694 1.00 1.12 C ATOM 1782 O GLN A 105 20.339 8.151 4.731 1.00 74.43 O ATOM 1783 CB GLN A 105 17.580 7.263 4.315 1.00 3.52 C ATOM 1784 CG GLN A 105 16.628 8.392 4.746 1.00 44.01 C ATOM 1785 CD GLN A 105 15.427 7.993 5.610 1.00 2.34 C ATOM 1786 OE1 GLN A 105 15.040 6.732 5.678 1.00 35.04 O flip ATOM 1787 NE2 GLN A 105 14.748 8.848 6.172 1.00 3.01 N flip ATOM 0 H GLN A 105 18.589 6.686 1.409 1.00 14.34 H new ATOM 0 HA GLN A 105 17.940 8.485 2.638 1.00 24.32 H new ATOM 0 HB2 GLN A 105 17.004 6.407 3.962 1.00 3.52 H new ATOM 0 HB3 GLN A 105 18.164 6.923 5.171 1.00 3.52 H new ATOM 0 HG2 GLN A 105 17.208 9.135 5.294 1.00 44.01 H new ATOM 0 HG3 GLN A 105 16.252 8.881 3.847 1.00 44.01 H new ATOM 0 HE21 GLN A 105 15.028 9.828 6.133 1.00 3.01 H new ATOM 0 HE22 GLN A 105 13.904 8.578 6.678 1.00 3.01 H new ATOM 1796 N GLN A 106 20.244 9.467 2.907 1.00 52.33 N ATOM 1797 CA GLN A 106 21.434 10.262 3.208 1.00 11.21 C ATOM 1798 C GLN A 106 21.035 11.676 3.633 1.00 2.01 C ATOM 1799 O GLN A 106 21.580 12.202 4.598 1.00 54.13 O ATOM 1800 CB GLN A 106 22.364 10.305 1.980 1.00 23.02 C ATOM 1801 CG GLN A 106 23.731 10.905 2.348 1.00 32.41 C ATOM 1802 CD GLN A 106 24.650 11.051 1.141 1.00 50.04 C ATOM 1803 OE1 GLN A 106 25.419 10.151 0.813 1.00 40.21 O ATOM 1804 NE2 GLN A 106 24.624 12.185 0.461 1.00 32.23 N ATOM 0 H GLN A 106 19.799 9.726 2.026 1.00 52.33 H new ATOM 0 HA GLN A 106 21.971 9.796 4.034 1.00 11.21 H new ATOM 0 HB2 GLN A 106 22.499 9.298 1.585 1.00 23.02 H new ATOM 0 HB3 GLN A 106 21.903 10.898 1.190 1.00 23.02 H new ATOM 0 HG2 GLN A 106 23.583 11.882 2.808 1.00 32.41 H new ATOM 0 HG3 GLN A 106 24.213 10.272 3.093 1.00 32.41 H new ATOM 0 HE21 GLN A 106 23.984 12.930 0.736 1.00 32.23 H new ATOM 0 HE22 GLN A 106 25.244 12.314 -0.339 1.00 32.23 H new ATOM 1813 N ASN A 107 20.143 12.299 2.858 1.00 32.25 N ATOM 1814 CA ASN A 107 19.512 13.604 3.065 1.00 60.35 C ATOM 1815 C ASN A 107 18.458 13.794 1.968 1.00 23.12 C ATOM 1816 O ASN A 107 17.311 14.158 2.217 1.00 75.20 O ATOM 1817 CB ASN A 107 20.529 14.752 2.987 1.00 44.30 C ATOM 1818 CG ASN A 107 19.828 16.068 3.282 1.00 2.23 C ATOM 1819 OD1 ASN A 107 19.348 16.742 2.377 1.00 42.51 O ATOM 1820 ND2 ASN A 107 19.745 16.451 4.542 1.00 50.11 N ATOM 0 H ASN A 107 19.816 11.865 1.995 1.00 32.25 H new ATOM 0 HA ASN A 107 19.067 13.626 4.060 1.00 60.35 H new ATOM 0 HB2 ASN A 107 21.335 14.588 3.703 1.00 44.30 H new ATOM 0 HB3 ASN A 107 20.984 14.783 1.997 1.00 44.30 H new ATOM 0 HD21 ASN A 107 19.274 17.324 4.780 1.00 50.11 H new ATOM 0 HD22 ASN A 107 20.152 15.874 5.278 1.00 50.11 H new ATOM 1827 N SER A 108 18.869 13.458 0.739 1.00 10.55 N ATOM 1828 CA SER A 108 18.156 13.553 -0.521 1.00 41.44 C ATOM 1829 C SER A 108 16.735 13.005 -0.408 1.00 63.20 C ATOM 1830 O SER A 108 15.769 13.792 -0.486 1.00 75.32 O ATOM 1831 CB SER A 108 18.985 12.806 -1.584 1.00 45.42 C ATOM 1832 OG SER A 108 20.389 12.957 -1.389 1.00 34.25 O ATOM 0 H SER A 108 19.804 13.076 0.599 1.00 10.55 H new ATOM 0 HA SER A 108 18.042 14.597 -0.811 1.00 41.44 H new ATOM 0 HB2 SER A 108 18.730 11.746 -1.560 1.00 45.42 H new ATOM 0 HB3 SER A 108 18.717 13.175 -2.574 1.00 45.42 H new ATOM 0 HG SER A 108 20.871 12.465 -2.086 1.00 34.25 H new TER 1838 SER A 108