USER MOD reduce.3.24.130724 H: found=0, std=0, add=918, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 915 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 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 108 THR OG1 : rot 26:sc= 1.21 USER MOD Set 2.1: A 104 SER OG : rot -63:sc= 1.41 USER MOD Set 2.2: A 111 GLN : amide:sc= 0.13 K(o=1.5,f=-0.71) USER MOD Set 3.1: A 80 HIS : no HD1:sc= -0.411 K(o=-0.28,f=-10!) USER MOD Set 3.2: A 129 HIS : no HD1:sc= -1.13 K(o=-0.28,f=-7.5!) USER MOD Set 3.3: A 145 SER OG : rot 74:sc= 1.26 USER MOD Set 4.1: A 50 LYS NZ :NH3+ -111:sc= 1.03 (180deg=0) USER MOD Set 4.2: A 115 ASN : amide:sc= 0.883 K(o=1.9,f=-3.7) USER MOD Single : A 1 GLY N :NH3+ -97:sc= 0.035 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 71:sc= 1.25 USER MOD Single : A 44 GLN : amide:sc= 0.487 X(o=0.49,f=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 147:sc= 2.49 (180deg=0.748) USER MOD Single : A 61 THR OG1 : rot 162:sc= 1.31 USER MOD Single : A 64 GLN : amide:sc= 0.615 K(o=0.61,f=0) USER MOD Single : A 66 GLN : amide:sc= -3.14 K(o=-3.1,f=-8.5!) USER MOD Single : A 67 CYS SG : rot 37:sc= 0.269 USER MOD Single : A 70 SER OG : rot 130:sc= 0 USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=-0.00013) USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=-0.06) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 ASN : amide:sc= 0.154 K(o=0.15,f=-8.2!) USER MOD Single : A 98 GLN : amide:sc= 0.379 X(o=0.38,f=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 ASN : amide:sc= 0.908 K(o=0.91,f=0) USER MOD Single : A 113 TYR OH : rot 180:sc= 0 USER MOD Single : A 122 CYS SG : rot -37:sc= -2.6 USER MOD Single : A 127 GLN : amide:sc= 0.803 K(o=0.8,f=-0.079) USER MOD Single : A 128 MET CE :methyl -115:sc= -0.82 (180deg=-0.981) USER MOD Single : A 130 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 131 ASN : amide:sc= 1.42 K(o=1.4,f=-7.5!) USER MOD Single : A 139 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 140 LYS NZ :NH3+ -173:sc= 1.15 (180deg=0.936) USER MOD Single : A 144 HIS : no HD1:sc= -0.276 X(o=-0.28,f=-0.53) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -23.220 -6.167 -24.410 1.00 22.26 N ATOM 2 CA GLY A 1 -21.956 -6.606 -25.026 1.00 22.02 C ATOM 3 C GLY A 1 -21.070 -7.303 -24.013 1.00 20.61 C ATOM 4 O GLY A 1 -21.095 -6.964 -22.834 1.00 19.54 O ATOM 0 H1 GLY A 1 -23.961 -6.871 -24.599 1.00 22.26 H new ATOM 0 H2 GLY A 1 -23.090 -6.069 -23.383 1.00 22.26 H new ATOM 0 H3 GLY A 1 -23.502 -5.250 -24.812 1.00 22.26 H new ATOM 0 HA2 GLY A 1 -22.167 -7.281 -25.855 1.00 22.02 H new ATOM 0 HA3 GLY A 1 -21.432 -5.745 -25.441 1.00 22.02 H new ATOM 10 N SER A 2 -20.258 -8.258 -24.466 1.00 20.78 N ATOM 11 CA SER A 2 -19.485 -9.196 -23.627 1.00 19.88 C ATOM 12 C SER A 2 -18.073 -8.717 -23.222 1.00 18.41 C ATOM 13 O SER A 2 -17.273 -9.537 -22.762 1.00 18.26 O ATOM 14 CB SER A 2 -19.387 -10.552 -24.345 1.00 21.31 C ATOM 15 OG SER A 2 -20.661 -11.082 -24.663 1.00 22.38 O ATOM 0 H SER A 2 -20.110 -8.412 -25.463 1.00 20.78 H new ATOM 0 HA SER A 2 -20.036 -9.273 -22.690 1.00 19.88 H new ATOM 0 HB2 SER A 2 -18.805 -10.436 -25.259 1.00 21.31 H new ATOM 0 HB3 SER A 2 -18.849 -11.258 -23.712 1.00 21.31 H new ATOM 0 HG SER A 2 -20.553 -11.943 -25.119 1.00 22.38 H new ATOM 21 N PHE A 3 -17.730 -7.434 -23.417 1.00 17.61 N ATOM 22 CA PHE A 3 -16.363 -6.897 -23.274 1.00 16.60 C ATOM 23 C PHE A 3 -16.300 -5.567 -22.503 1.00 15.08 C ATOM 24 O PHE A 3 -17.047 -4.633 -22.811 1.00 15.69 O ATOM 25 CB PHE A 3 -15.781 -6.684 -24.682 1.00 18.05 C ATOM 26 CG PHE A 3 -14.387 -6.073 -24.729 1.00 18.52 C ATOM 27 CD1 PHE A 3 -13.250 -6.901 -24.698 1.00 19.00 C ATOM 28 CD2 PHE A 3 -14.222 -4.676 -24.817 1.00 18.83 C ATOM 29 CE1 PHE A 3 -11.961 -6.337 -24.752 1.00 19.76 C ATOM 30 CE2 PHE A 3 -12.934 -4.111 -24.868 1.00 19.52 C ATOM 31 CZ PHE A 3 -11.802 -4.943 -24.836 1.00 19.98 C ATOM 0 H PHE A 3 -18.410 -6.722 -23.685 1.00 17.61 H new ATOM 0 HA PHE A 3 -15.789 -7.621 -22.695 1.00 16.60 H new ATOM 0 HB2 PHE A 3 -15.755 -7.646 -25.195 1.00 18.05 H new ATOM 0 HB3 PHE A 3 -16.459 -6.042 -25.243 1.00 18.05 H new ATOM 0 HD1 PHE A 3 -13.366 -7.973 -24.633 1.00 19.00 H new ATOM 0 HD2 PHE A 3 -15.090 -4.034 -24.846 1.00 18.83 H new ATOM 0 HE1 PHE A 3 -11.092 -6.978 -24.729 1.00 19.76 H new ATOM 0 HE2 PHE A 3 -12.816 -3.039 -24.932 1.00 19.52 H new ATOM 0 HZ PHE A 3 -10.812 -4.512 -24.876 1.00 19.98 H new ATOM 41 N THR A 4 -15.325 -5.443 -21.593 1.00 13.51 N ATOM 42 CA THR A 4 -14.817 -4.161 -21.058 1.00 12.57 C ATOM 43 C THR A 4 -13.292 -4.204 -20.867 1.00 11.39 C ATOM 44 O THR A 4 -12.720 -5.281 -20.666 1.00 11.01 O ATOM 45 CB THR A 4 -15.478 -3.740 -19.728 1.00 11.96 C ATOM 46 OG1 THR A 4 -15.269 -4.680 -18.701 1.00 10.87 O ATOM 47 CG2 THR A 4 -16.980 -3.510 -19.843 1.00 13.42 C ATOM 0 H THR A 4 -14.850 -6.252 -21.193 1.00 13.51 H new ATOM 0 HA THR A 4 -15.081 -3.415 -21.807 1.00 12.57 H new ATOM 0 HB THR A 4 -14.990 -2.798 -19.480 1.00 11.96 H new ATOM 0 HG1 THR A 4 -15.704 -4.369 -17.880 1.00 10.87 H new ATOM 0 HG21 THR A 4 -17.379 -3.217 -18.872 1.00 13.42 H new ATOM 0 HG22 THR A 4 -17.173 -2.719 -20.568 1.00 13.42 H new ATOM 0 HG23 THR A 4 -17.465 -4.429 -20.172 1.00 13.42 H new ATOM 55 N MET A 5 -12.652 -3.027 -20.896 1.00 11.21 N ATOM 56 CA MET A 5 -11.271 -2.675 -20.502 1.00 10.49 C ATOM 57 C MET A 5 -10.072 -3.522 -20.996 1.00 10.11 C ATOM 58 O MET A 5 -8.926 -3.201 -20.675 1.00 10.36 O ATOM 59 CB MET A 5 -11.269 -2.475 -18.982 1.00 9.88 C ATOM 60 CG MET A 5 -12.260 -1.399 -18.549 1.00 10.50 C ATOM 61 SD MET A 5 -11.708 0.313 -18.748 1.00 11.52 S ATOM 62 CE MET A 5 -13.102 1.167 -17.964 1.00 12.45 C ATOM 0 H MET A 5 -13.143 -2.199 -21.235 1.00 11.21 H new ATOM 0 HA MET A 5 -11.051 -1.768 -21.065 1.00 10.49 H new ATOM 0 HB2 MET A 5 -11.518 -3.416 -18.492 1.00 9.88 H new ATOM 0 HB3 MET A 5 -10.267 -2.199 -18.653 1.00 9.88 H new ATOM 0 HG2 MET A 5 -13.181 -1.531 -19.117 1.00 10.50 H new ATOM 0 HG3 MET A 5 -12.506 -1.561 -17.500 1.00 10.50 H new ATOM 0 HE1 MET A 5 -12.933 2.243 -17.995 1.00 12.45 H new ATOM 0 HE2 MET A 5 -14.022 0.929 -18.498 1.00 12.45 H new ATOM 0 HE3 MET A 5 -13.190 0.843 -16.927 1.00 12.45 H new ATOM 72 N GLY A 35 -10.288 -4.557 -21.807 1.00 9.90 N ATOM 73 CA GLY A 35 -9.245 -5.492 -22.244 1.00 9.67 C ATOM 74 C GLY A 35 -8.952 -6.610 -21.235 1.00 7.97 C ATOM 75 O GLY A 35 -9.510 -6.638 -20.137 1.00 6.97 O ATOM 0 H GLY A 35 -11.209 -4.776 -22.187 1.00 9.90 H new ATOM 0 HA2 GLY A 35 -9.546 -5.940 -23.191 1.00 9.67 H new ATOM 0 HA3 GLY A 35 -8.327 -4.935 -22.432 1.00 9.67 H new ATOM 79 N ALA A 36 -8.094 -7.558 -21.614 1.00 8.05 N ATOM 80 CA ALA A 36 -7.805 -8.782 -20.853 1.00 6.99 C ATOM 81 C ALA A 36 -6.332 -9.232 -20.983 1.00 6.84 C ATOM 82 O ALA A 36 -5.534 -8.594 -21.672 1.00 7.87 O ATOM 83 CB ALA A 36 -8.785 -9.866 -21.333 1.00 7.75 C ATOM 0 H ALA A 36 -7.564 -7.497 -22.483 1.00 8.05 H new ATOM 0 HA ALA A 36 -7.944 -8.592 -19.789 1.00 6.99 H new ATOM 0 HB1 ALA A 36 -8.599 -10.792 -20.788 1.00 7.75 H new ATOM 0 HB2 ALA A 36 -9.808 -9.537 -21.152 1.00 7.75 H new ATOM 0 HB3 ALA A 36 -8.643 -10.038 -22.400 1.00 7.75 H new ATOM 89 N GLY A 37 -5.973 -10.336 -20.318 1.00 6.07 N ATOM 90 CA GLY A 37 -4.626 -10.923 -20.306 1.00 6.12 C ATOM 91 C GLY A 37 -3.895 -10.740 -18.970 1.00 4.94 C ATOM 92 O GLY A 37 -4.162 -9.788 -18.233 1.00 4.69 O ATOM 0 H GLY A 37 -6.636 -10.866 -19.752 1.00 6.07 H new ATOM 0 HA2 GLY A 37 -4.699 -11.987 -20.529 1.00 6.12 H new ATOM 0 HA3 GLY A 37 -4.033 -10.471 -21.101 1.00 6.12 H new ATOM 96 N GLY A 38 -2.997 -11.676 -18.652 1.00 4.93 N ATOM 97 CA GLY A 38 -2.210 -11.729 -17.415 1.00 4.57 C ATOM 98 C GLY A 38 -0.810 -11.124 -17.568 1.00 4.48 C ATOM 99 O GLY A 38 -0.646 -10.014 -18.078 1.00 4.81 O ATOM 0 H GLY A 38 -2.788 -12.454 -19.278 1.00 4.93 H new ATOM 0 HA2 GLY A 38 -2.745 -11.198 -16.628 1.00 4.57 H new ATOM 0 HA3 GLY A 38 -2.118 -12.767 -17.094 1.00 4.57 H new ATOM 103 N GLY A 39 0.219 -11.845 -17.115 1.00 4.65 N ATOM 104 CA GLY A 39 1.632 -11.504 -17.324 1.00 4.94 C ATOM 105 C GLY A 39 2.119 -10.204 -16.671 1.00 4.45 C ATOM 106 O GLY A 39 3.146 -9.668 -17.094 1.00 5.11 O ATOM 0 H GLY A 39 0.091 -12.704 -16.579 1.00 4.65 H new ATOM 0 HA2 GLY A 39 2.242 -12.326 -16.948 1.00 4.94 H new ATOM 0 HA3 GLY A 39 1.813 -11.437 -18.397 1.00 4.94 H new ATOM 110 N GLY A 40 1.390 -9.661 -15.693 1.00 3.61 N ATOM 111 CA GLY A 40 1.673 -8.355 -15.091 1.00 3.33 C ATOM 112 C GLY A 40 1.111 -7.155 -15.867 1.00 3.04 C ATOM 113 O GLY A 40 1.505 -6.017 -15.615 1.00 4.43 O ATOM 0 H GLY A 40 0.574 -10.123 -15.291 1.00 3.61 H new ATOM 0 HA2 GLY A 40 1.265 -8.340 -14.080 1.00 3.33 H new ATOM 0 HA3 GLY A 40 2.753 -8.238 -15.001 1.00 3.33 H new ATOM 117 N SER A 41 0.197 -7.389 -16.811 1.00 1.57 N ATOM 118 CA SER A 41 -0.405 -6.357 -17.661 1.00 1.18 C ATOM 119 C SER A 41 -1.288 -5.381 -16.877 1.00 0.86 C ATOM 120 O SER A 41 -1.982 -5.762 -15.934 1.00 0.70 O ATOM 121 CB SER A 41 -1.204 -6.994 -18.792 1.00 1.71 C ATOM 122 OG SER A 41 -0.366 -7.828 -19.578 1.00 3.35 O ATOM 0 H SER A 41 -0.155 -8.325 -17.011 1.00 1.57 H new ATOM 0 HA SER A 41 0.419 -5.778 -18.078 1.00 1.18 H new ATOM 0 HB2 SER A 41 -2.027 -7.578 -18.381 1.00 1.71 H new ATOM 0 HB3 SER A 41 -1.645 -6.218 -19.417 1.00 1.71 H new ATOM 0 HG SER A 41 -0.134 -8.632 -19.068 1.00 3.35 H new ATOM 128 N ALA A 42 -1.302 -4.112 -17.269 1.00 0.83 N ATOM 129 CA ALA A 42 -1.966 -3.056 -16.502 1.00 0.69 C ATOM 130 C ALA A 42 -3.493 -3.236 -16.350 1.00 0.60 C ATOM 131 O ALA A 42 -4.049 -2.848 -15.321 1.00 0.54 O ATOM 132 CB ALA A 42 -1.594 -1.699 -17.100 1.00 0.86 C ATOM 0 H ALA A 42 -0.855 -3.783 -18.125 1.00 0.83 H new ATOM 0 HA ALA A 42 -1.600 -3.119 -15.477 1.00 0.69 H new ATOM 0 HB1 ALA A 42 -2.084 -0.906 -16.535 1.00 0.86 H new ATOM 0 HB2 ALA A 42 -0.513 -1.564 -17.052 1.00 0.86 H new ATOM 0 HB3 ALA A 42 -1.919 -1.658 -18.140 1.00 0.86 H new ATOM 138 N GLU A 43 -4.191 -3.873 -17.298 1.00 0.69 N ATOM 139 CA GLU A 43 -5.612 -4.232 -17.134 1.00 0.69 C ATOM 140 C GLU A 43 -5.859 -5.359 -16.110 1.00 0.59 C ATOM 141 O GLU A 43 -6.959 -5.459 -15.562 1.00 0.64 O ATOM 142 CB GLU A 43 -6.298 -4.520 -18.484 1.00 0.79 C ATOM 143 CG GLU A 43 -5.640 -5.596 -19.362 1.00 0.86 C ATOM 144 CD GLU A 43 -4.690 -4.986 -20.398 1.00 1.70 C ATOM 145 OE1 GLU A 43 -3.575 -4.554 -20.026 1.00 2.93 O ATOM 146 OE2 GLU A 43 -5.024 -4.948 -21.612 1.00 2.39 O ATOM 0 H GLU A 43 -3.794 -4.154 -18.195 1.00 0.69 H new ATOM 0 HA GLU A 43 -6.083 -3.346 -16.709 1.00 0.69 H new ATOM 0 HB2 GLU A 43 -7.328 -4.820 -18.288 1.00 0.79 H new ATOM 0 HB3 GLU A 43 -6.339 -3.591 -19.053 1.00 0.79 H new ATOM 0 HG2 GLU A 43 -5.089 -6.293 -18.730 1.00 0.86 H new ATOM 0 HG3 GLU A 43 -6.413 -6.171 -19.872 1.00 0.86 H new ATOM 153 N GLN A 44 -4.847 -6.182 -15.807 1.00 0.53 N ATOM 154 CA GLN A 44 -4.872 -7.165 -14.715 1.00 0.49 C ATOM 155 C GLN A 44 -4.525 -6.508 -13.378 1.00 0.40 C ATOM 156 O GLN A 44 -5.236 -6.706 -12.395 1.00 0.39 O ATOM 157 CB GLN A 44 -3.879 -8.290 -15.034 1.00 0.57 C ATOM 158 CG GLN A 44 -3.620 -9.292 -13.901 1.00 0.65 C ATOM 159 CD GLN A 44 -4.829 -10.130 -13.495 1.00 0.78 C ATOM 160 OE1 GLN A 44 -5.028 -11.245 -13.963 1.00 1.16 O ATOM 161 NE2 GLN A 44 -5.668 -9.626 -12.612 1.00 0.78 N ATOM 0 H GLN A 44 -3.969 -6.183 -16.325 1.00 0.53 H new ATOM 0 HA GLN A 44 -5.877 -7.577 -14.628 1.00 0.49 H new ATOM 0 HB2 GLN A 44 -4.246 -8.838 -15.902 1.00 0.57 H new ATOM 0 HB3 GLN A 44 -2.928 -7.840 -15.320 1.00 0.57 H new ATOM 0 HG2 GLN A 44 -2.817 -9.963 -14.206 1.00 0.65 H new ATOM 0 HG3 GLN A 44 -3.265 -8.746 -13.027 1.00 0.65 H new ATOM 0 HE21 GLN A 44 -5.502 -8.698 -12.223 1.00 0.78 H new ATOM 0 HE22 GLN A 44 -6.483 -10.164 -12.318 1.00 0.78 H new ATOM 170 N LEU A 45 -3.439 -5.733 -13.326 1.00 0.37 N ATOM 171 CA LEU A 45 -3.029 -4.972 -12.141 1.00 0.32 C ATOM 172 C LEU A 45 -4.097 -3.986 -11.649 1.00 0.31 C ATOM 173 O LEU A 45 -4.239 -3.815 -10.444 1.00 0.28 O ATOM 174 CB LEU A 45 -1.725 -4.248 -12.464 1.00 0.35 C ATOM 175 CG LEU A 45 -0.450 -5.090 -12.282 1.00 0.47 C ATOM 176 CD1 LEU A 45 -0.014 -5.088 -10.813 1.00 0.51 C ATOM 177 CD2 LEU A 45 -0.540 -6.542 -12.749 1.00 0.66 C ATOM 0 H LEU A 45 -2.809 -5.614 -14.119 1.00 0.37 H new ATOM 0 HA LEU A 45 -2.887 -5.675 -11.320 1.00 0.32 H new ATOM 0 HB2 LEU A 45 -1.767 -3.899 -13.496 1.00 0.35 H new ATOM 0 HB3 LEU A 45 -1.652 -3.364 -11.831 1.00 0.35 H new ATOM 0 HG LEU A 45 0.280 -4.604 -12.929 1.00 0.47 H new ATOM 0 HD11 LEU A 45 0.889 -5.688 -10.701 1.00 0.51 H new ATOM 0 HD12 LEU A 45 0.188 -4.065 -10.495 1.00 0.51 H new ATOM 0 HD13 LEU A 45 -0.808 -5.510 -10.197 1.00 0.51 H new ATOM 0 HD21 LEU A 45 0.413 -7.040 -12.574 1.00 0.66 H new ATOM 0 HD22 LEU A 45 -1.325 -7.055 -12.194 1.00 0.66 H new ATOM 0 HD23 LEU A 45 -0.772 -6.568 -13.814 1.00 0.66 H new ATOM 189 N ASP A 46 -4.900 -3.416 -12.552 1.00 0.36 N ATOM 190 CA ASP A 46 -6.063 -2.578 -12.188 1.00 0.38 C ATOM 191 C ASP A 46 -7.124 -3.380 -11.399 1.00 0.36 C ATOM 192 O ASP A 46 -7.659 -2.961 -10.365 1.00 0.38 O ATOM 193 CB ASP A 46 -6.655 -2.028 -13.491 1.00 0.50 C ATOM 194 CG ASP A 46 -7.862 -1.101 -13.298 1.00 0.79 C ATOM 195 OD1 ASP A 46 -7.732 0.005 -12.721 1.00 1.53 O ATOM 196 OD2 ASP A 46 -8.974 -1.461 -13.754 1.00 1.87 O ATOM 0 H ASP A 46 -4.768 -3.518 -13.558 1.00 0.36 H new ATOM 0 HA ASP A 46 -5.744 -1.767 -11.534 1.00 0.38 H new ATOM 0 HB2 ASP A 46 -5.877 -1.485 -14.028 1.00 0.50 H new ATOM 0 HB3 ASP A 46 -6.953 -2.865 -14.122 1.00 0.50 H new ATOM 201 N ALA A 47 -7.356 -4.612 -11.848 1.00 0.36 N ATOM 202 CA ALA A 47 -8.314 -5.514 -11.219 1.00 0.39 C ATOM 203 C ALA A 47 -7.753 -6.005 -9.881 1.00 0.38 C ATOM 204 O ALA A 47 -8.494 -6.129 -8.910 1.00 0.47 O ATOM 205 CB ALA A 47 -8.644 -6.660 -12.184 1.00 0.46 C ATOM 0 H ALA A 47 -6.884 -5.012 -12.659 1.00 0.36 H new ATOM 0 HA ALA A 47 -9.248 -4.995 -11.003 1.00 0.39 H new ATOM 0 HB1 ALA A 47 -9.360 -7.335 -11.716 1.00 0.46 H new ATOM 0 HB2 ALA A 47 -9.074 -6.253 -13.099 1.00 0.46 H new ATOM 0 HB3 ALA A 47 -7.732 -7.207 -12.424 1.00 0.46 H new ATOM 211 N LEU A 48 -6.430 -6.192 -9.814 1.00 0.37 N ATOM 212 CA LEU A 48 -5.681 -6.530 -8.608 1.00 0.35 C ATOM 213 C LEU A 48 -5.778 -5.421 -7.545 1.00 0.35 C ATOM 214 O LEU A 48 -6.164 -5.712 -6.414 1.00 0.44 O ATOM 215 CB LEU A 48 -4.231 -6.812 -9.013 1.00 0.33 C ATOM 216 CG LEU A 48 -3.823 -8.291 -8.951 1.00 0.48 C ATOM 217 CD1 LEU A 48 -2.615 -8.542 -9.849 1.00 0.50 C ATOM 218 CD2 LEU A 48 -3.453 -8.686 -7.537 1.00 0.92 C ATOM 0 H LEU A 48 -5.831 -6.107 -10.635 1.00 0.37 H new ATOM 0 HA LEU A 48 -6.110 -7.419 -8.145 1.00 0.35 H new ATOM 0 HB2 LEU A 48 -4.075 -6.448 -10.029 1.00 0.33 H new ATOM 0 HB3 LEU A 48 -3.569 -6.239 -8.364 1.00 0.33 H new ATOM 0 HG LEU A 48 -4.673 -8.885 -9.288 1.00 0.48 H new ATOM 0 HD11 LEU A 48 -2.335 -9.594 -9.797 1.00 0.50 H new ATOM 0 HD12 LEU A 48 -2.867 -8.284 -10.878 1.00 0.50 H new ATOM 0 HD13 LEU A 48 -1.779 -7.927 -9.515 1.00 0.50 H new ATOM 0 HD21 LEU A 48 -3.167 -9.738 -7.516 1.00 0.92 H new ATOM 0 HD22 LEU A 48 -2.617 -8.076 -7.196 1.00 0.92 H new ATOM 0 HD23 LEU A 48 -4.308 -8.529 -6.880 1.00 0.92 H new ATOM 230 N VAL A 49 -5.525 -4.145 -7.886 1.00 0.31 N ATOM 231 CA VAL A 49 -5.779 -3.047 -6.931 1.00 0.33 C ATOM 232 C VAL A 49 -7.258 -2.902 -6.581 1.00 0.35 C ATOM 233 O VAL A 49 -7.562 -2.367 -5.515 1.00 0.44 O ATOM 234 CB VAL A 49 -5.226 -1.683 -7.371 1.00 0.36 C ATOM 235 CG1 VAL A 49 -3.719 -1.648 -7.514 1.00 0.37 C ATOM 236 CG2 VAL A 49 -5.815 -1.200 -8.690 1.00 0.38 C ATOM 0 H VAL A 49 -5.155 -3.851 -8.790 1.00 0.31 H new ATOM 0 HA VAL A 49 -5.227 -3.350 -6.041 1.00 0.33 H new ATOM 0 HB VAL A 49 -5.526 -1.022 -6.558 1.00 0.36 H new ATOM 0 HG11 VAL A 49 -3.406 -0.652 -7.827 1.00 0.37 H new ATOM 0 HG12 VAL A 49 -3.257 -1.889 -6.557 1.00 0.37 H new ATOM 0 HG13 VAL A 49 -3.407 -2.378 -8.261 1.00 0.37 H new ATOM 0 HG21 VAL A 49 -5.385 -0.232 -8.947 1.00 0.38 H new ATOM 0 HG22 VAL A 49 -5.585 -1.919 -9.476 1.00 0.38 H new ATOM 0 HG23 VAL A 49 -6.896 -1.103 -8.592 1.00 0.38 H new ATOM 246 N LYS A 50 -8.187 -3.390 -7.417 1.00 0.33 N ATOM 247 CA LYS A 50 -9.612 -3.449 -7.068 1.00 0.34 C ATOM 248 C LYS A 50 -10.119 -4.678 -6.296 1.00 0.36 C ATOM 249 O LYS A 50 -11.327 -4.787 -6.074 1.00 0.47 O ATOM 250 CB LYS A 50 -10.481 -3.063 -8.274 1.00 0.42 C ATOM 251 CG LYS A 50 -11.538 -2.066 -7.790 1.00 1.51 C ATOM 252 CD LYS A 50 -10.952 -0.661 -7.611 1.00 0.78 C ATOM 253 CE LYS A 50 -12.001 0.405 -7.253 1.00 1.42 C ATOM 254 NZ LYS A 50 -12.732 0.108 -5.999 1.00 2.85 N ATOM 0 H LYS A 50 -7.973 -3.752 -8.346 1.00 0.33 H new ATOM 0 HA LYS A 50 -9.724 -2.692 -6.292 1.00 0.34 H new ATOM 0 HB2 LYS A 50 -9.869 -2.620 -9.059 1.00 0.42 H new ATOM 0 HB3 LYS A 50 -10.956 -3.946 -8.701 1.00 0.42 H new ATOM 0 HG2 LYS A 50 -12.359 -2.029 -8.506 1.00 1.51 H new ATOM 0 HG3 LYS A 50 -11.956 -2.409 -6.844 1.00 1.51 H new ATOM 0 HD2 LYS A 50 -10.194 -0.690 -6.828 1.00 0.78 H new ATOM 0 HD3 LYS A 50 -10.448 -0.367 -8.532 1.00 0.78 H new ATOM 0 HE2 LYS A 50 -11.508 1.373 -7.158 1.00 1.42 H new ATOM 0 HE3 LYS A 50 -12.716 0.491 -8.071 1.00 1.42 H new ATOM 0 HZ1 LYS A 50 -13.721 -0.127 -6.221 1.00 2.85 H new ATOM 0 HZ2 LYS A 50 -12.284 -0.698 -5.519 1.00 2.85 H new ATOM 0 HZ3 LYS A 50 -12.705 0.940 -5.376 1.00 2.85 H new ATOM 268 N LYS A 51 -9.247 -5.570 -5.819 1.00 0.33 N ATOM 269 CA LYS A 51 -9.620 -6.642 -4.870 1.00 0.38 C ATOM 270 C LYS A 51 -9.949 -6.132 -3.468 1.00 0.48 C ATOM 271 O LYS A 51 -10.795 -6.725 -2.804 1.00 0.69 O ATOM 272 CB LYS A 51 -8.509 -7.700 -4.797 1.00 0.51 C ATOM 273 CG LYS A 51 -8.773 -8.925 -5.679 1.00 0.72 C ATOM 274 CD LYS A 51 -8.910 -8.548 -7.152 1.00 1.16 C ATOM 275 CE LYS A 51 -9.010 -9.748 -8.086 1.00 1.33 C ATOM 276 NZ LYS A 51 -10.342 -10.400 -8.024 1.00 2.18 N ATOM 0 H LYS A 51 -8.260 -5.576 -6.075 1.00 0.33 H new ATOM 0 HA LYS A 51 -10.535 -7.087 -5.260 1.00 0.38 H new ATOM 0 HB2 LYS A 51 -7.564 -7.245 -5.095 1.00 0.51 H new ATOM 0 HB3 LYS A 51 -8.395 -8.025 -3.763 1.00 0.51 H new ATOM 0 HG2 LYS A 51 -7.958 -9.639 -5.561 1.00 0.72 H new ATOM 0 HG3 LYS A 51 -9.684 -9.423 -5.346 1.00 0.72 H new ATOM 0 HD2 LYS A 51 -9.797 -7.926 -7.278 1.00 1.16 H new ATOM 0 HD3 LYS A 51 -8.052 -7.942 -7.444 1.00 1.16 H new ATOM 0 HE2 LYS A 51 -8.812 -9.427 -9.109 1.00 1.33 H new ATOM 0 HE3 LYS A 51 -8.240 -10.474 -7.825 1.00 1.33 H new ATOM 0 HZ1 LYS A 51 -10.363 -11.210 -8.676 1.00 2.18 H new ATOM 0 HZ2 LYS A 51 -10.522 -10.731 -7.055 1.00 2.18 H new ATOM 0 HZ3 LYS A 51 -11.076 -9.716 -8.298 1.00 2.18 H new ATOM 290 N ASP A 52 -9.312 -5.054 -3.012 1.00 0.41 N ATOM 291 CA ASP A 52 -9.606 -4.456 -1.706 1.00 0.41 C ATOM 292 C ASP A 52 -9.530 -2.928 -1.724 1.00 0.44 C ATOM 293 O ASP A 52 -9.179 -2.306 -2.726 1.00 0.45 O ATOM 294 CB ASP A 52 -8.656 -5.025 -0.635 1.00 0.41 C ATOM 295 CG ASP A 52 -9.422 -5.342 0.646 1.00 0.48 C ATOM 296 OD1 ASP A 52 -9.942 -4.393 1.269 1.00 1.54 O ATOM 297 OD2 ASP A 52 -9.524 -6.534 1.016 1.00 1.65 O ATOM 0 H ASP A 52 -8.580 -4.571 -3.533 1.00 0.41 H new ATOM 0 HA ASP A 52 -10.635 -4.719 -1.460 1.00 0.41 H new ATOM 0 HB2 ASP A 52 -8.175 -5.928 -1.010 1.00 0.41 H new ATOM 0 HB3 ASP A 52 -7.864 -4.306 -0.424 1.00 0.41 H new ATOM 302 N LYS A 53 -9.836 -2.316 -0.584 1.00 0.47 N ATOM 303 CA LYS A 53 -9.694 -0.874 -0.359 1.00 0.50 C ATOM 304 C LYS A 53 -8.347 -0.431 0.174 1.00 0.46 C ATOM 305 O LYS A 53 -8.046 0.752 0.078 1.00 0.48 O ATOM 306 CB LYS A 53 -10.820 -0.307 0.483 1.00 0.51 C ATOM 307 CG LYS A 53 -11.541 -1.226 1.451 1.00 0.78 C ATOM 308 CD LYS A 53 -10.704 -1.565 2.687 1.00 0.79 C ATOM 309 CE LYS A 53 -11.402 -2.413 3.754 1.00 1.39 C ATOM 310 NZ LYS A 53 -11.752 -3.763 3.262 1.00 1.03 N ATOM 0 H LYS A 53 -10.197 -2.816 0.229 1.00 0.47 H new ATOM 0 HA LYS A 53 -9.760 -0.452 -1.362 1.00 0.50 H new ATOM 0 HB2 LYS A 53 -10.415 0.526 1.058 1.00 0.51 H new ATOM 0 HB3 LYS A 53 -11.565 0.107 -0.197 1.00 0.51 H new ATOM 0 HG2 LYS A 53 -12.472 -0.754 1.767 1.00 0.78 H new ATOM 0 HG3 LYS A 53 -11.810 -2.149 0.936 1.00 0.78 H new ATOM 0 HD2 LYS A 53 -9.807 -2.091 2.361 1.00 0.79 H new ATOM 0 HD3 LYS A 53 -10.377 -0.633 3.148 1.00 0.79 H new ATOM 0 HE2 LYS A 53 -10.752 -2.504 4.624 1.00 1.39 H new ATOM 0 HE3 LYS A 53 -12.307 -1.904 4.084 1.00 1.39 H new ATOM 0 HZ1 LYS A 53 -11.685 -4.446 4.044 1.00 1.03 H new ATOM 0 HZ2 LYS A 53 -12.723 -3.756 2.890 1.00 1.03 H new ATOM 0 HZ3 LYS A 53 -11.094 -4.038 2.505 1.00 1.03 H new ATOM 324 N VAL A 54 -7.556 -1.349 0.722 1.00 0.46 N ATOM 325 CA VAL A 54 -6.219 -1.084 1.275 1.00 0.48 C ATOM 326 C VAL A 54 -5.338 -2.182 0.731 1.00 0.52 C ATOM 327 O VAL A 54 -5.112 -3.218 1.358 1.00 0.85 O ATOM 328 CB VAL A 54 -6.158 -1.015 2.819 1.00 0.45 C ATOM 329 CG1 VAL A 54 -5.185 0.054 3.289 1.00 0.51 C ATOM 330 CG2 VAL A 54 -7.516 -0.756 3.453 1.00 0.42 C ATOM 0 H VAL A 54 -7.830 -2.329 0.799 1.00 0.46 H new ATOM 0 HA VAL A 54 -5.890 -0.090 0.973 1.00 0.48 H new ATOM 0 HB VAL A 54 -5.812 -1.997 3.141 1.00 0.45 H new ATOM 0 HG11 VAL A 54 -5.167 0.076 4.379 1.00 0.51 H new ATOM 0 HG12 VAL A 54 -4.187 -0.172 2.914 1.00 0.51 H new ATOM 0 HG13 VAL A 54 -5.503 1.026 2.912 1.00 0.51 H new ATOM 0 HG21 VAL A 54 -7.410 -0.718 4.537 1.00 0.42 H new ATOM 0 HG22 VAL A 54 -7.910 0.195 3.093 1.00 0.42 H new ATOM 0 HG23 VAL A 54 -8.202 -1.559 3.183 1.00 0.42 H new ATOM 340 N VAL A 55 -4.949 -2.009 -0.521 1.00 0.27 N ATOM 341 CA VAL A 55 -4.136 -3.029 -1.169 1.00 0.25 C ATOM 342 C VAL A 55 -2.677 -2.623 -1.036 1.00 0.23 C ATOM 343 O VAL A 55 -2.249 -1.597 -1.566 1.00 0.25 O ATOM 344 CB VAL A 55 -4.592 -3.329 -2.608 1.00 0.27 C ATOM 345 CG1 VAL A 55 -4.146 -4.742 -2.941 1.00 0.89 C ATOM 346 CG2 VAL A 55 -6.110 -3.435 -2.760 1.00 0.94 C ATOM 0 H VAL A 55 -5.174 -1.198 -1.097 1.00 0.27 H new ATOM 0 HA VAL A 55 -4.267 -3.989 -0.669 1.00 0.25 H new ATOM 0 HB VAL A 55 -4.190 -2.525 -3.224 1.00 0.27 H new ATOM 0 HG11 VAL A 55 -4.453 -4.990 -3.957 1.00 0.89 H new ATOM 0 HG12 VAL A 55 -3.061 -4.809 -2.863 1.00 0.89 H new ATOM 0 HG13 VAL A 55 -4.604 -5.442 -2.242 1.00 0.89 H new ATOM 0 HG21 VAL A 55 -6.358 -3.648 -3.800 1.00 0.94 H new ATOM 0 HG22 VAL A 55 -6.484 -4.239 -2.126 1.00 0.94 H new ATOM 0 HG23 VAL A 55 -6.572 -2.494 -2.462 1.00 0.94 H new ATOM 356 N VAL A 56 -1.933 -3.429 -0.282 1.00 0.24 N ATOM 357 CA VAL A 56 -0.535 -3.202 0.091 1.00 0.23 C ATOM 358 C VAL A 56 0.347 -4.138 -0.700 1.00 0.23 C ATOM 359 O VAL A 56 -0.070 -5.227 -1.068 1.00 0.25 O ATOM 360 CB VAL A 56 -0.321 -3.338 1.608 1.00 0.25 C ATOM 361 CG1 VAL A 56 1.069 -2.953 2.076 1.00 0.26 C ATOM 362 CG2 VAL A 56 -1.201 -2.330 2.333 1.00 0.30 C ATOM 0 H VAL A 56 -2.303 -4.298 0.104 1.00 0.24 H new ATOM 0 HA VAL A 56 -0.260 -2.176 -0.156 1.00 0.23 H new ATOM 0 HB VAL A 56 -0.529 -4.387 1.818 1.00 0.25 H new ATOM 0 HG11 VAL A 56 1.136 -3.077 3.157 1.00 0.26 H new ATOM 0 HG12 VAL A 56 1.806 -3.592 1.591 1.00 0.26 H new ATOM 0 HG13 VAL A 56 1.265 -1.912 1.818 1.00 0.26 H new ATOM 0 HG21 VAL A 56 -1.052 -2.424 3.409 1.00 0.30 H new ATOM 0 HG22 VAL A 56 -0.936 -1.321 2.016 1.00 0.30 H new ATOM 0 HG23 VAL A 56 -2.247 -2.522 2.094 1.00 0.30 H new ATOM 372 N PHE A 57 1.552 -3.690 -0.993 1.00 0.23 N ATOM 373 CA PHE A 57 2.372 -4.222 -2.067 1.00 0.22 C ATOM 374 C PHE A 57 3.822 -4.145 -1.640 1.00 0.23 C ATOM 375 O PHE A 57 4.348 -3.046 -1.462 1.00 0.32 O ATOM 376 CB PHE A 57 2.161 -3.287 -3.249 1.00 0.24 C ATOM 377 CG PHE A 57 0.937 -3.586 -4.079 1.00 0.24 C ATOM 378 CD1 PHE A 57 0.960 -4.589 -5.064 1.00 1.67 C ATOM 379 CD2 PHE A 57 -0.225 -2.838 -3.866 1.00 1.72 C ATOM 380 CE1 PHE A 57 -0.183 -4.830 -5.849 1.00 1.65 C ATOM 381 CE2 PHE A 57 -1.368 -3.077 -4.649 1.00 1.75 C ATOM 382 CZ PHE A 57 -1.350 -4.068 -5.651 1.00 0.30 C ATOM 0 H PHE A 57 1.999 -2.930 -0.481 1.00 0.23 H new ATOM 0 HA PHE A 57 2.117 -5.253 -2.312 1.00 0.22 H new ATOM 0 HB2 PHE A 57 2.091 -2.265 -2.878 1.00 0.24 H new ATOM 0 HB3 PHE A 57 3.040 -3.333 -3.892 1.00 0.24 H new ATOM 0 HD1 PHE A 57 1.854 -5.174 -5.218 1.00 1.67 H new ATOM 0 HD2 PHE A 57 -0.244 -2.077 -3.100 1.00 1.72 H new ATOM 0 HE1 PHE A 57 -0.165 -5.601 -6.605 1.00 1.65 H new ATOM 0 HE2 PHE A 57 -2.264 -2.498 -4.482 1.00 1.75 H new ATOM 0 HZ PHE A 57 -2.224 -4.241 -6.262 1.00 0.30 H new ATOM 392 N LEU A 58 4.455 -5.287 -1.387 1.00 0.23 N ATOM 393 CA LEU A 58 5.820 -5.299 -0.886 1.00 0.24 C ATOM 394 C LEU A 58 6.534 -6.614 -1.242 1.00 0.27 C ATOM 395 O LEU A 58 5.882 -7.640 -1.447 1.00 0.30 O ATOM 396 CB LEU A 58 5.824 -4.968 0.620 1.00 0.26 C ATOM 397 CG LEU A 58 4.500 -5.079 1.421 1.00 0.28 C ATOM 398 CD1 LEU A 58 4.037 -6.506 1.706 1.00 0.39 C ATOM 399 CD2 LEU A 58 4.680 -4.337 2.729 1.00 0.47 C ATOM 0 H LEU A 58 4.044 -6.211 -1.521 1.00 0.23 H new ATOM 0 HA LEU A 58 6.401 -4.520 -1.380 1.00 0.24 H new ATOM 0 HB2 LEU A 58 6.553 -5.622 1.098 1.00 0.26 H new ATOM 0 HB3 LEU A 58 6.190 -3.947 0.731 1.00 0.26 H new ATOM 0 HG LEU A 58 3.719 -4.644 0.798 1.00 0.28 H new ATOM 0 HD11 LEU A 58 3.105 -6.480 2.270 1.00 0.39 H new ATOM 0 HD12 LEU A 58 3.877 -7.032 0.765 1.00 0.39 H new ATOM 0 HD13 LEU A 58 4.798 -7.026 2.287 1.00 0.39 H new ATOM 0 HD21 LEU A 58 3.761 -4.400 3.312 1.00 0.47 H new ATOM 0 HD22 LEU A 58 5.499 -4.785 3.292 1.00 0.47 H new ATOM 0 HD23 LEU A 58 4.910 -3.291 2.525 1.00 0.47 H new ATOM 411 N LYS A 59 7.871 -6.622 -1.355 1.00 0.31 N ATOM 412 CA LYS A 59 8.633 -7.848 -1.682 1.00 0.43 C ATOM 413 C LYS A 59 8.861 -8.711 -0.432 1.00 0.51 C ATOM 414 O LYS A 59 9.995 -8.948 -0.020 1.00 0.60 O ATOM 415 CB LYS A 59 9.922 -7.517 -2.470 1.00 0.55 C ATOM 416 CG LYS A 59 10.821 -6.405 -1.896 1.00 0.66 C ATOM 417 CD LYS A 59 12.252 -6.426 -2.465 1.00 1.18 C ATOM 418 CE LYS A 59 12.272 -6.464 -4.002 1.00 1.52 C ATOM 419 NZ LYS A 59 13.651 -6.494 -4.543 1.00 2.06 N ATOM 0 H LYS A 59 8.452 -5.794 -1.225 1.00 0.31 H new ATOM 0 HA LYS A 59 8.035 -8.463 -2.354 1.00 0.43 H new ATOM 0 HB2 LYS A 59 10.516 -8.428 -2.548 1.00 0.55 H new ATOM 0 HB3 LYS A 59 9.637 -7.234 -3.484 1.00 0.55 H new ATOM 0 HG2 LYS A 59 10.368 -5.436 -2.106 1.00 0.66 H new ATOM 0 HG3 LYS A 59 10.867 -6.507 -0.812 1.00 0.66 H new ATOM 0 HD2 LYS A 59 12.790 -5.544 -2.119 1.00 1.18 H new ATOM 0 HD3 LYS A 59 12.782 -7.295 -2.076 1.00 1.18 H new ATOM 0 HE2 LYS A 59 11.728 -7.343 -4.349 1.00 1.52 H new ATOM 0 HE3 LYS A 59 11.749 -5.591 -4.392 1.00 1.52 H new ATOM 0 HZ1 LYS A 59 13.616 -6.519 -5.582 1.00 2.06 H new ATOM 0 HZ2 LYS A 59 14.164 -5.643 -4.234 1.00 2.06 H new ATOM 0 HZ3 LYS A 59 14.143 -7.341 -4.193 1.00 2.06 H new ATOM 433 N GLY A 60 7.764 -9.217 0.131 1.00 0.54 N ATOM 434 CA GLY A 60 7.701 -9.854 1.453 1.00 0.73 C ATOM 435 C GLY A 60 6.280 -9.952 2.029 1.00 0.67 C ATOM 436 O GLY A 60 5.284 -9.936 1.312 1.00 0.81 O ATOM 0 H GLY A 60 6.858 -9.195 -0.337 1.00 0.54 H new ATOM 0 HA2 GLY A 60 8.124 -10.856 1.383 1.00 0.73 H new ATOM 0 HA3 GLY A 60 8.326 -9.292 2.147 1.00 0.73 H new ATOM 440 N THR A 61 6.194 -9.996 3.358 1.00 0.63 N ATOM 441 CA THR A 61 4.974 -10.159 4.174 1.00 0.61 C ATOM 442 C THR A 61 4.968 -9.178 5.354 1.00 0.64 C ATOM 443 O THR A 61 6.030 -8.709 5.781 1.00 0.71 O ATOM 444 CB THR A 61 4.906 -11.598 4.723 1.00 0.70 C ATOM 445 OG1 THR A 61 6.038 -11.868 5.524 1.00 0.87 O ATOM 446 CG2 THR A 61 4.855 -12.654 3.621 1.00 0.70 C ATOM 0 H THR A 61 7.027 -9.914 3.940 1.00 0.63 H new ATOM 0 HA THR A 61 4.112 -9.955 3.539 1.00 0.61 H new ATOM 0 HB THR A 61 3.985 -11.656 5.303 1.00 0.70 H new ATOM 0 HG1 THR A 61 5.860 -12.648 6.090 1.00 0.87 H new ATOM 0 HG21 THR A 61 4.808 -13.646 4.070 1.00 0.70 H new ATOM 0 HG22 THR A 61 3.971 -12.493 3.003 1.00 0.70 H new ATOM 0 HG23 THR A 61 5.749 -12.578 3.002 1.00 0.70 H new ATOM 454 N PRO A 62 3.791 -8.855 5.927 1.00 0.61 N ATOM 455 CA PRO A 62 3.683 -7.844 6.978 1.00 0.65 C ATOM 456 C PRO A 62 4.413 -8.235 8.272 1.00 0.84 C ATOM 457 O PRO A 62 4.903 -7.348 8.974 1.00 1.06 O ATOM 458 CB PRO A 62 2.177 -7.647 7.197 1.00 0.64 C ATOM 459 CG PRO A 62 1.566 -8.969 6.745 1.00 0.72 C ATOM 460 CD PRO A 62 2.470 -9.374 5.591 1.00 0.60 C ATOM 0 HA PRO A 62 4.173 -6.918 6.676 1.00 0.65 H new ATOM 0 HB2 PRO A 62 1.949 -7.438 8.242 1.00 0.64 H new ATOM 0 HB3 PRO A 62 1.794 -6.810 6.614 1.00 0.64 H new ATOM 0 HG2 PRO A 62 1.570 -9.711 7.543 1.00 0.72 H new ATOM 0 HG3 PRO A 62 0.531 -8.849 6.426 1.00 0.72 H new ATOM 0 HD2 PRO A 62 2.493 -10.457 5.473 1.00 0.60 H new ATOM 0 HD3 PRO A 62 2.113 -8.958 4.649 1.00 0.60 H new ATOM 468 N GLU A 63 4.538 -9.529 8.590 1.00 0.90 N ATOM 469 CA GLU A 63 5.104 -9.990 9.866 1.00 1.08 C ATOM 470 C GLU A 63 6.624 -10.259 9.869 1.00 1.14 C ATOM 471 O GLU A 63 7.206 -10.360 10.953 1.00 1.27 O ATOM 472 CB GLU A 63 4.273 -11.169 10.401 1.00 1.19 C ATOM 473 CG GLU A 63 4.538 -12.550 9.781 1.00 1.84 C ATOM 474 CD GLU A 63 4.257 -12.635 8.279 1.00 2.52 C ATOM 475 OE1 GLU A 63 3.206 -12.128 7.815 1.00 3.25 O ATOM 476 OE2 GLU A 63 5.104 -13.208 7.551 1.00 3.61 O ATOM 0 H GLU A 63 4.250 -10.287 7.971 1.00 0.90 H new ATOM 0 HA GLU A 63 5.024 -9.152 10.559 1.00 1.08 H new ATOM 0 HB2 GLU A 63 4.442 -11.242 11.475 1.00 1.19 H new ATOM 0 HB3 GLU A 63 3.219 -10.931 10.260 1.00 1.19 H new ATOM 0 HG2 GLU A 63 5.579 -12.821 9.959 1.00 1.84 H new ATOM 0 HG3 GLU A 63 3.924 -13.289 10.295 1.00 1.84 H new ATOM 483 N GLN A 64 7.283 -10.349 8.701 1.00 1.10 N ATOM 484 CA GLN A 64 8.723 -10.643 8.588 1.00 1.17 C ATOM 485 C GLN A 64 9.474 -9.611 7.709 1.00 1.33 C ATOM 486 O GLN A 64 9.021 -9.343 6.593 1.00 1.21 O ATOM 487 CB GLN A 64 8.900 -12.068 8.052 1.00 1.17 C ATOM 488 CG GLN A 64 8.706 -13.134 9.145 1.00 1.24 C ATOM 489 CD GLN A 64 8.617 -14.546 8.578 1.00 1.59 C ATOM 490 OE1 GLN A 64 9.550 -15.337 8.642 1.00 2.28 O ATOM 491 NE2 GLN A 64 7.501 -14.920 7.997 1.00 1.93 N ATOM 0 H GLN A 64 6.826 -10.218 7.798 1.00 1.10 H new ATOM 0 HA GLN A 64 9.168 -10.567 9.580 1.00 1.17 H new ATOM 0 HB2 GLN A 64 8.185 -12.242 7.248 1.00 1.17 H new ATOM 0 HB3 GLN A 64 9.896 -12.170 7.621 1.00 1.17 H new ATOM 0 HG2 GLN A 64 9.536 -13.081 9.850 1.00 1.24 H new ATOM 0 HG3 GLN A 64 7.797 -12.913 9.705 1.00 1.24 H new ATOM 0 HE21 GLN A 64 6.716 -14.272 7.936 1.00 1.93 H new ATOM 0 HE22 GLN A 64 7.419 -15.859 7.606 1.00 1.93 H new ATOM 500 N PRO A 65 10.632 -9.064 8.146 1.00 1.78 N ATOM 501 CA PRO A 65 11.356 -7.985 7.456 1.00 1.86 C ATOM 502 C PRO A 65 12.164 -8.487 6.244 1.00 1.63 C ATOM 503 O PRO A 65 13.389 -8.603 6.261 1.00 1.92 O ATOM 504 CB PRO A 65 12.219 -7.331 8.545 1.00 2.37 C ATOM 505 CG PRO A 65 12.560 -8.506 9.460 1.00 2.72 C ATOM 506 CD PRO A 65 11.277 -9.338 9.428 1.00 2.30 C ATOM 0 HA PRO A 65 10.676 -7.260 7.008 1.00 1.86 H new ATOM 0 HB2 PRO A 65 13.115 -6.870 8.128 1.00 2.37 H new ATOM 0 HB3 PRO A 65 11.676 -6.549 9.076 1.00 2.37 H new ATOM 0 HG2 PRO A 65 13.418 -9.070 9.093 1.00 2.72 H new ATOM 0 HG3 PRO A 65 12.804 -8.176 10.470 1.00 2.72 H new ATOM 0 HD2 PRO A 65 11.501 -10.400 9.529 1.00 2.30 H new ATOM 0 HD3 PRO A 65 10.621 -9.070 10.256 1.00 2.30 H new ATOM 514 N GLN A 66 11.430 -8.748 5.166 1.00 1.24 N ATOM 515 CA GLN A 66 11.861 -8.916 3.767 1.00 1.00 C ATOM 516 C GLN A 66 13.080 -8.069 3.351 1.00 1.22 C ATOM 517 O GLN A 66 14.095 -8.585 2.885 1.00 1.55 O ATOM 518 CB GLN A 66 10.689 -8.501 2.875 1.00 0.63 C ATOM 519 CG GLN A 66 9.774 -7.421 3.482 1.00 1.31 C ATOM 520 CD GLN A 66 8.886 -6.724 2.477 1.00 1.41 C ATOM 521 OE1 GLN A 66 7.696 -6.958 2.458 1.00 2.37 O ATOM 522 NE2 GLN A 66 9.405 -5.801 1.693 1.00 1.31 N ATOM 0 H GLN A 66 10.420 -8.859 5.250 1.00 1.24 H new ATOM 0 HA GLN A 66 12.160 -9.959 3.659 1.00 1.00 H new ATOM 0 HB2 GLN A 66 11.083 -8.134 1.927 1.00 0.63 H new ATOM 0 HB3 GLN A 66 10.089 -9.383 2.651 1.00 0.63 H new ATOM 0 HG2 GLN A 66 9.147 -7.880 4.247 1.00 1.31 H new ATOM 0 HG3 GLN A 66 10.393 -6.676 3.982 1.00 1.31 H new ATOM 0 HE21 GLN A 66 10.407 -5.614 1.719 1.00 1.31 H new ATOM 0 HE22 GLN A 66 8.804 -5.273 1.060 1.00 1.31 H new ATOM 531 N CYS A 67 12.896 -6.755 3.451 1.00 1.18 N ATOM 532 CA CYS A 67 13.740 -5.660 3.001 1.00 1.47 C ATOM 533 C CYS A 67 13.310 -4.410 3.808 1.00 1.42 C ATOM 534 O CYS A 67 12.419 -4.511 4.662 1.00 1.74 O ATOM 535 CB CYS A 67 13.512 -5.461 1.484 1.00 1.66 C ATOM 536 SG CYS A 67 14.601 -6.526 0.495 1.00 3.11 S ATOM 0 H CYS A 67 12.054 -6.395 3.901 1.00 1.18 H new ATOM 0 HA CYS A 67 14.801 -5.853 3.159 1.00 1.47 H new ATOM 0 HB2 CYS A 67 12.472 -5.678 1.241 1.00 1.66 H new ATOM 0 HB3 CYS A 67 13.689 -4.418 1.223 1.00 1.66 H new ATOM 0 HG CYS A 67 14.743 -7.673 1.090 1.00 3.11 H new ATOM 542 N GLY A 68 13.869 -3.229 3.531 1.00 1.64 N ATOM 543 CA GLY A 68 13.517 -1.987 4.228 1.00 1.49 C ATOM 544 C GLY A 68 12.024 -1.620 4.175 1.00 1.29 C ATOM 545 O GLY A 68 11.304 -1.960 3.231 1.00 2.25 O ATOM 0 H GLY A 68 14.583 -3.106 2.813 1.00 1.64 H new ATOM 0 HA2 GLY A 68 13.819 -2.074 5.272 1.00 1.49 H new ATOM 0 HA3 GLY A 68 14.094 -1.169 3.797 1.00 1.49 H new ATOM 549 N PHE A 69 11.565 -0.921 5.216 1.00 0.91 N ATOM 550 CA PHE A 69 10.256 -0.265 5.351 1.00 1.06 C ATOM 551 C PHE A 69 8.977 -1.132 5.199 1.00 0.78 C ATOM 552 O PHE A 69 7.861 -0.609 5.215 1.00 0.79 O ATOM 553 CB PHE A 69 10.237 1.109 4.672 1.00 1.92 C ATOM 554 CG PHE A 69 11.201 1.367 3.537 1.00 1.13 C ATOM 555 CD1 PHE A 69 12.529 1.773 3.754 1.00 2.05 C ATOM 556 CD2 PHE A 69 10.711 1.259 2.238 1.00 1.76 C ATOM 557 CE1 PHE A 69 13.349 2.073 2.648 1.00 2.08 C ATOM 558 CE2 PHE A 69 11.496 1.611 1.134 1.00 1.99 C ATOM 559 CZ PHE A 69 12.830 2.008 1.339 1.00 1.52 C ATOM 0 H PHE A 69 12.138 -0.787 6.049 1.00 0.91 H new ATOM 0 HA PHE A 69 10.164 -0.082 6.422 1.00 1.06 H new ATOM 0 HB2 PHE A 69 9.228 1.278 4.295 1.00 1.92 H new ATOM 0 HB3 PHE A 69 10.421 1.861 5.440 1.00 1.92 H new ATOM 0 HD1 PHE A 69 12.917 1.854 4.759 1.00 2.05 H new ATOM 0 HD2 PHE A 69 9.706 0.897 2.079 1.00 1.76 H new ATOM 0 HE1 PHE A 69 14.380 2.354 2.804 1.00 2.08 H new ATOM 0 HE2 PHE A 69 11.083 1.578 0.137 1.00 1.99 H new ATOM 0 HZ PHE A 69 13.455 2.262 0.496 1.00 1.52 H new ATOM 569 N SER A 70 9.094 -2.464 5.154 1.00 0.75 N ATOM 570 CA SER A 70 7.958 -3.402 5.136 1.00 0.75 C ATOM 571 C SER A 70 7.037 -3.340 6.365 1.00 0.70 C ATOM 572 O SER A 70 5.842 -3.612 6.264 1.00 0.82 O ATOM 573 CB SER A 70 8.508 -4.825 5.007 1.00 0.93 C ATOM 574 OG SER A 70 9.201 -5.250 6.171 1.00 2.05 O ATOM 0 H SER A 70 9.999 -2.933 5.128 1.00 0.75 H new ATOM 0 HA SER A 70 7.339 -3.108 4.288 1.00 0.75 H new ATOM 0 HB2 SER A 70 7.685 -5.512 4.807 1.00 0.93 H new ATOM 0 HB3 SER A 70 9.180 -4.875 4.150 1.00 0.93 H new ATOM 0 HG SER A 70 8.866 -6.128 6.449 1.00 2.05 H new ATOM 580 N ASN A 71 7.571 -2.975 7.529 1.00 0.68 N ATOM 581 CA ASN A 71 6.808 -2.683 8.743 1.00 0.69 C ATOM 582 C ASN A 71 6.333 -1.239 8.800 1.00 0.68 C ATOM 583 O ASN A 71 5.282 -0.976 9.364 1.00 0.68 O ATOM 584 CB ASN A 71 7.718 -2.973 9.940 1.00 0.80 C ATOM 585 CG ASN A 71 6.944 -3.095 11.237 1.00 2.03 C ATOM 586 OD1 ASN A 71 7.060 -2.272 12.132 1.00 3.20 O ATOM 587 ND2 ASN A 71 6.121 -4.109 11.364 1.00 3.31 N ATOM 0 H ASN A 71 8.577 -2.871 7.658 1.00 0.68 H new ATOM 0 HA ASN A 71 5.914 -3.306 8.755 1.00 0.69 H new ATOM 0 HB2 ASN A 71 8.268 -3.897 9.760 1.00 0.80 H new ATOM 0 HB3 ASN A 71 8.456 -2.176 10.034 1.00 0.80 H new ATOM 0 HD21 ASN A 71 5.571 -4.216 12.216 1.00 3.31 H new ATOM 0 HD22 ASN A 71 6.032 -4.791 10.611 1.00 3.31 H new ATOM 594 N ALA A 72 7.078 -0.313 8.202 1.00 0.69 N ATOM 595 CA ALA A 72 6.743 1.116 8.213 1.00 0.68 C ATOM 596 C ALA A 72 5.382 1.398 7.569 1.00 0.61 C ATOM 597 O ALA A 72 4.605 2.203 8.088 1.00 0.61 O ATOM 598 CB ALA A 72 7.883 1.917 7.574 1.00 0.73 C ATOM 0 H ALA A 72 7.935 -0.529 7.693 1.00 0.69 H new ATOM 0 HA ALA A 72 6.641 1.443 9.248 1.00 0.68 H new ATOM 0 HB1 ALA A 72 7.632 2.978 7.583 1.00 0.73 H new ATOM 0 HB2 ALA A 72 8.801 1.756 8.139 1.00 0.73 H new ATOM 0 HB3 ALA A 72 8.027 1.587 6.545 1.00 0.73 H new ATOM 604 N VAL A 73 5.018 0.655 6.521 1.00 0.62 N ATOM 605 CA VAL A 73 3.685 0.701 5.955 1.00 0.64 C ATOM 606 C VAL A 73 2.606 0.190 6.917 1.00 0.58 C ATOM 607 O VAL A 73 1.550 0.808 7.046 1.00 0.53 O ATOM 608 CB VAL A 73 3.677 -0.078 4.637 1.00 0.84 C ATOM 609 CG1 VAL A 73 4.465 0.631 3.540 1.00 0.98 C ATOM 610 CG2 VAL A 73 4.255 -1.474 4.738 1.00 0.93 C ATOM 0 H VAL A 73 5.647 0.007 6.047 1.00 0.62 H new ATOM 0 HA VAL A 73 3.433 1.745 5.767 1.00 0.64 H new ATOM 0 HB VAL A 73 2.617 -0.139 4.392 1.00 0.84 H new ATOM 0 HG11 VAL A 73 4.429 0.039 2.626 1.00 0.98 H new ATOM 0 HG12 VAL A 73 4.028 1.612 3.354 1.00 0.98 H new ATOM 0 HG13 VAL A 73 5.502 0.749 3.855 1.00 0.98 H new ATOM 0 HG21 VAL A 73 4.212 -1.957 3.762 1.00 0.93 H new ATOM 0 HG22 VAL A 73 5.292 -1.415 5.068 1.00 0.93 H new ATOM 0 HG23 VAL A 73 3.678 -2.056 5.457 1.00 0.93 H new ATOM 620 N VAL A 74 2.885 -0.902 7.633 1.00 0.63 N ATOM 621 CA VAL A 74 1.951 -1.538 8.573 1.00 0.66 C ATOM 622 C VAL A 74 1.805 -0.732 9.866 1.00 0.56 C ATOM 623 O VAL A 74 0.691 -0.599 10.358 1.00 0.58 O ATOM 624 CB VAL A 74 2.318 -3.018 8.790 1.00 0.81 C ATOM 625 CG1 VAL A 74 1.528 -3.686 9.923 1.00 0.90 C ATOM 626 CG2 VAL A 74 2.018 -3.796 7.497 1.00 0.99 C ATOM 0 H VAL A 74 3.784 -1.381 7.576 1.00 0.63 H new ATOM 0 HA VAL A 74 0.955 -1.536 8.130 1.00 0.66 H new ATOM 0 HB VAL A 74 3.374 -3.040 9.060 1.00 0.81 H new ATOM 0 HG11 VAL A 74 1.838 -4.726 10.019 1.00 0.90 H new ATOM 0 HG12 VAL A 74 1.721 -3.162 10.859 1.00 0.90 H new ATOM 0 HG13 VAL A 74 0.462 -3.645 9.697 1.00 0.90 H new ATOM 0 HG21 VAL A 74 2.274 -4.846 7.637 1.00 0.99 H new ATOM 0 HG22 VAL A 74 0.958 -3.709 7.258 1.00 0.99 H new ATOM 0 HG23 VAL A 74 2.610 -3.384 6.679 1.00 0.99 H new ATOM 636 N GLN A 75 2.872 -0.099 10.357 1.00 0.51 N ATOM 637 CA GLN A 75 2.843 0.882 11.447 1.00 0.48 C ATOM 638 C GLN A 75 1.982 2.089 11.070 1.00 0.40 C ATOM 639 O GLN A 75 1.088 2.441 11.830 1.00 0.46 O ATOM 640 CB GLN A 75 4.273 1.329 11.792 1.00 0.50 C ATOM 641 CG GLN A 75 5.073 0.262 12.559 1.00 0.62 C ATOM 642 CD GLN A 75 5.009 0.405 14.083 1.00 1.34 C ATOM 643 OE1 GLN A 75 5.290 1.455 14.653 1.00 2.65 O ATOM 644 NE2 GLN A 75 4.684 -0.634 14.817 1.00 1.07 N ATOM 0 H GLN A 75 3.812 -0.260 9.996 1.00 0.51 H new ATOM 0 HA GLN A 75 2.399 0.411 12.324 1.00 0.48 H new ATOM 0 HB2 GLN A 75 4.801 1.578 10.871 1.00 0.50 H new ATOM 0 HB3 GLN A 75 4.228 2.239 12.390 1.00 0.50 H new ATOM 0 HG2 GLN A 75 4.701 -0.724 12.282 1.00 0.62 H new ATOM 0 HG3 GLN A 75 6.115 0.309 12.244 1.00 0.62 H new ATOM 0 HE21 GLN A 75 4.446 -1.520 14.370 1.00 1.07 H new ATOM 0 HE22 GLN A 75 4.670 -0.556 15.834 1.00 1.07 H new ATOM 653 N ILE A 76 2.171 2.702 9.897 1.00 0.32 N ATOM 654 CA ILE A 76 1.350 3.868 9.516 1.00 0.28 C ATOM 655 C ILE A 76 -0.128 3.476 9.404 1.00 0.29 C ATOM 656 O ILE A 76 -0.990 4.179 9.933 1.00 0.31 O ATOM 657 CB ILE A 76 1.912 4.538 8.247 1.00 0.26 C ATOM 658 CG1 ILE A 76 3.224 5.245 8.647 1.00 0.28 C ATOM 659 CG2 ILE A 76 0.924 5.549 7.630 1.00 0.28 C ATOM 660 CD1 ILE A 76 3.977 5.814 7.451 1.00 0.31 C ATOM 0 H ILE A 76 2.867 2.423 9.206 1.00 0.32 H new ATOM 0 HA ILE A 76 1.403 4.621 10.303 1.00 0.28 H new ATOM 0 HB ILE A 76 2.085 3.779 7.484 1.00 0.26 H new ATOM 0 HG12 ILE A 76 2.999 6.051 9.345 1.00 0.28 H new ATOM 0 HG13 ILE A 76 3.867 4.538 9.172 1.00 0.28 H new ATOM 0 HG21 ILE A 76 1.367 5.993 6.739 1.00 0.28 H new ATOM 0 HG22 ILE A 76 0.001 5.037 7.359 1.00 0.28 H new ATOM 0 HG23 ILE A 76 0.705 6.333 8.355 1.00 0.28 H new ATOM 0 HD11 ILE A 76 4.891 6.299 7.794 1.00 0.31 H new ATOM 0 HD12 ILE A 76 4.230 5.007 6.763 1.00 0.31 H new ATOM 0 HD13 ILE A 76 3.349 6.543 6.939 1.00 0.31 H new ATOM 672 N LEU A 77 -0.417 2.319 8.806 1.00 0.31 N ATOM 673 CA LEU A 77 -1.770 1.752 8.778 1.00 0.35 C ATOM 674 C LEU A 77 -2.346 1.526 10.186 1.00 0.43 C ATOM 675 O LEU A 77 -3.377 2.121 10.507 1.00 0.44 O ATOM 676 CB LEU A 77 -1.776 0.480 7.910 1.00 0.43 C ATOM 677 CG LEU A 77 -1.694 0.798 6.404 1.00 0.45 C ATOM 678 CD1 LEU A 77 -1.423 -0.470 5.596 1.00 0.61 C ATOM 679 CD2 LEU A 77 -3.006 1.404 5.902 1.00 0.46 C ATOM 0 H LEU A 77 0.279 1.747 8.327 1.00 0.31 H new ATOM 0 HA LEU A 77 -2.442 2.477 8.319 1.00 0.35 H new ATOM 0 HB2 LEU A 77 -0.935 -0.153 8.192 1.00 0.43 H new ATOM 0 HB3 LEU A 77 -2.684 -0.089 8.110 1.00 0.43 H new ATOM 0 HG LEU A 77 -0.879 1.509 6.271 1.00 0.45 H new ATOM 0 HD11 LEU A 77 -1.369 -0.221 4.536 1.00 0.61 H new ATOM 0 HD12 LEU A 77 -0.477 -0.909 5.914 1.00 0.61 H new ATOM 0 HD13 LEU A 77 -2.229 -1.185 5.760 1.00 0.61 H new ATOM 0 HD21 LEU A 77 -2.923 1.620 4.837 1.00 0.46 H new ATOM 0 HD22 LEU A 77 -3.820 0.698 6.067 1.00 0.46 H new ATOM 0 HD23 LEU A 77 -3.211 2.327 6.444 1.00 0.46 H new ATOM 691 N ARG A 78 -1.682 0.754 11.057 1.00 0.50 N ATOM 692 CA ARG A 78 -2.112 0.510 12.438 1.00 0.65 C ATOM 693 C ARG A 78 -2.294 1.767 13.294 1.00 0.67 C ATOM 694 O ARG A 78 -3.229 1.816 14.092 1.00 0.74 O ATOM 695 CB ARG A 78 -1.173 -0.519 13.093 1.00 0.85 C ATOM 696 CG ARG A 78 -0.089 0.038 14.037 1.00 1.12 C ATOM 697 CD ARG A 78 0.751 -1.104 14.618 1.00 1.30 C ATOM 698 NE ARG A 78 1.312 -0.787 15.943 1.00 2.85 N ATOM 699 CZ ARG A 78 1.868 -1.648 16.779 1.00 3.39 C ATOM 700 NH1 ARG A 78 2.132 -2.880 16.464 1.00 3.08 N ATOM 701 NH2 ARG A 78 2.158 -1.284 17.989 1.00 4.96 N ATOM 0 H ARG A 78 -0.815 0.273 10.816 1.00 0.50 H new ATOM 0 HA ARG A 78 -3.121 0.100 12.383 1.00 0.65 H new ATOM 0 HB2 ARG A 78 -1.782 -1.227 13.654 1.00 0.85 H new ATOM 0 HB3 ARG A 78 -0.679 -1.082 12.301 1.00 0.85 H new ATOM 0 HG2 ARG A 78 0.554 0.731 13.494 1.00 1.12 H new ATOM 0 HG3 ARG A 78 -0.556 0.602 14.845 1.00 1.12 H new ATOM 0 HD2 ARG A 78 0.134 -1.999 14.695 1.00 1.30 H new ATOM 0 HD3 ARG A 78 1.565 -1.336 13.931 1.00 1.30 H new ATOM 0 HE ARG A 78 1.267 0.187 16.243 1.00 2.85 H new ATOM 0 HH11 ARG A 78 1.909 -3.227 15.531 1.00 3.08 H new ATOM 0 HH12 ARG A 78 2.562 -3.501 17.150 1.00 3.08 H new ATOM 0 HH21 ARG A 78 1.957 -0.333 18.297 1.00 4.96 H new ATOM 0 HH22 ARG A 78 2.587 -1.949 18.633 1.00 4.96 H new ATOM 715 N LEU A 79 -1.455 2.791 13.125 1.00 0.64 N ATOM 716 CA LEU A 79 -1.564 4.080 13.815 1.00 0.69 C ATOM 717 C LEU A 79 -2.802 4.860 13.357 1.00 0.68 C ATOM 718 O LEU A 79 -3.470 5.504 14.159 1.00 0.82 O ATOM 719 CB LEU A 79 -0.290 4.880 13.517 1.00 0.62 C ATOM 720 CG LEU A 79 0.974 4.363 14.228 1.00 0.61 C ATOM 721 CD1 LEU A 79 2.181 5.053 13.586 1.00 0.51 C ATOM 722 CD2 LEU A 79 0.960 4.682 15.722 1.00 0.74 C ATOM 0 H LEU A 79 -0.660 2.746 12.488 1.00 0.64 H new ATOM 0 HA LEU A 79 -1.673 3.912 14.886 1.00 0.69 H new ATOM 0 HB2 LEU A 79 -0.115 4.871 12.441 1.00 0.62 H new ATOM 0 HB3 LEU A 79 -0.453 5.919 13.805 1.00 0.62 H new ATOM 0 HG LEU A 79 1.020 3.279 14.122 1.00 0.61 H new ATOM 0 HD11 LEU A 79 3.096 4.708 14.068 1.00 0.51 H new ATOM 0 HD12 LEU A 79 2.216 4.810 12.524 1.00 0.51 H new ATOM 0 HD13 LEU A 79 2.091 6.132 13.709 1.00 0.51 H new ATOM 0 HD21 LEU A 79 1.870 4.299 16.184 1.00 0.74 H new ATOM 0 HD22 LEU A 79 0.908 5.762 15.863 1.00 0.74 H new ATOM 0 HD23 LEU A 79 0.092 4.213 16.186 1.00 0.74 H new ATOM 734 N HIS A 80 -3.161 4.731 12.082 1.00 0.54 N ATOM 735 CA HIS A 80 -4.450 5.150 11.541 1.00 0.47 C ATOM 736 C HIS A 80 -5.609 4.187 11.881 1.00 0.44 C ATOM 737 O HIS A 80 -6.740 4.447 11.483 1.00 0.42 O ATOM 738 CB HIS A 80 -4.288 5.400 10.032 1.00 0.39 C ATOM 739 CG HIS A 80 -3.683 6.750 9.746 1.00 0.42 C ATOM 740 ND1 HIS A 80 -4.332 7.941 9.926 1.00 0.48 N ATOM 741 CD2 HIS A 80 -2.412 7.056 9.334 1.00 0.38 C ATOM 742 CE1 HIS A 80 -3.505 8.942 9.627 1.00 0.47 C ATOM 743 NE2 HIS A 80 -2.313 8.456 9.232 1.00 0.42 N ATOM 0 H HIS A 80 -2.547 4.321 11.379 1.00 0.54 H new ATOM 0 HA HIS A 80 -4.746 6.080 12.026 1.00 0.47 H new ATOM 0 HB2 HIS A 80 -3.658 4.622 9.601 1.00 0.39 H new ATOM 0 HB3 HIS A 80 -5.261 5.328 9.546 1.00 0.39 H new ATOM 0 HD2 HIS A 80 -1.625 6.347 9.124 1.00 0.38 H new ATOM 0 HE1 HIS A 80 -3.754 9.991 9.692 1.00 0.47 H new ATOM 0 HE2 HIS A 80 -1.503 8.993 8.922 1.00 0.42 H new ATOM 751 N GLY A 81 -5.377 3.119 12.651 1.00 0.52 N ATOM 752 CA GLY A 81 -6.393 2.151 13.087 1.00 0.57 C ATOM 753 C GLY A 81 -6.495 0.877 12.233 1.00 0.64 C ATOM 754 O GLY A 81 -7.145 -0.088 12.648 1.00 1.06 O ATOM 0 H GLY A 81 -4.445 2.896 13.001 1.00 0.52 H new ATOM 0 HA2 GLY A 81 -6.179 1.863 14.116 1.00 0.57 H new ATOM 0 HA3 GLY A 81 -7.364 2.645 13.090 1.00 0.57 H new ATOM 758 N VAL A 82 -5.842 0.844 11.067 1.00 0.49 N ATOM 759 CA VAL A 82 -6.124 -0.088 9.961 1.00 0.53 C ATOM 760 C VAL A 82 -5.289 -1.369 10.012 1.00 0.57 C ATOM 761 O VAL A 82 -4.068 -1.336 10.172 1.00 0.73 O ATOM 762 CB VAL A 82 -5.967 0.622 8.597 1.00 0.48 C ATOM 763 CG1 VAL A 82 -6.342 -0.289 7.418 1.00 0.56 C ATOM 764 CG2 VAL A 82 -6.848 1.878 8.502 1.00 0.48 C ATOM 0 H VAL A 82 -5.077 1.485 10.856 1.00 0.49 H new ATOM 0 HA VAL A 82 -7.160 -0.403 10.083 1.00 0.53 H new ATOM 0 HB VAL A 82 -4.913 0.892 8.536 1.00 0.48 H new ATOM 0 HG11 VAL A 82 -6.215 0.256 6.482 1.00 0.56 H new ATOM 0 HG12 VAL A 82 -5.696 -1.167 7.417 1.00 0.56 H new ATOM 0 HG13 VAL A 82 -7.381 -0.603 7.517 1.00 0.56 H new ATOM 0 HG21 VAL A 82 -6.708 2.348 7.528 1.00 0.48 H new ATOM 0 HG22 VAL A 82 -7.895 1.598 8.623 1.00 0.48 H new ATOM 0 HG23 VAL A 82 -6.567 2.580 9.287 1.00 0.48 H new ATOM 774 N ARG A 83 -5.957 -2.508 9.793 1.00 0.44 N ATOM 775 CA ARG A 83 -5.417 -3.863 9.716 1.00 0.48 C ATOM 776 C ARG A 83 -5.989 -4.679 8.558 1.00 0.44 C ATOM 777 O ARG A 83 -5.388 -5.654 8.121 1.00 0.58 O ATOM 778 CB ARG A 83 -5.622 -4.570 11.059 1.00 0.68 C ATOM 779 CG ARG A 83 -7.080 -4.728 11.480 1.00 0.96 C ATOM 780 CD ARG A 83 -7.503 -3.650 12.474 1.00 1.99 C ATOM 781 NE ARG A 83 -8.928 -3.798 12.794 1.00 2.63 N ATOM 782 CZ ARG A 83 -9.838 -2.862 12.960 1.00 3.76 C ATOM 783 NH1 ARG A 83 -9.595 -1.584 12.939 1.00 4.77 N ATOM 784 NH2 ARG A 83 -11.070 -3.215 13.150 1.00 4.39 N ATOM 0 H ARG A 83 -6.968 -2.501 9.655 1.00 0.44 H new ATOM 0 HA ARG A 83 -4.350 -3.780 9.507 1.00 0.48 H new ATOM 0 HB2 ARG A 83 -5.164 -5.558 11.008 1.00 0.68 H new ATOM 0 HB3 ARG A 83 -5.093 -4.013 11.832 1.00 0.68 H new ATOM 0 HG2 ARG A 83 -7.720 -4.681 10.599 1.00 0.96 H new ATOM 0 HG3 ARG A 83 -7.225 -5.712 11.927 1.00 0.96 H new ATOM 0 HD2 ARG A 83 -6.907 -3.727 13.383 1.00 1.99 H new ATOM 0 HD3 ARG A 83 -7.316 -2.662 12.054 1.00 1.99 H new ATOM 0 HE ARG A 83 -9.258 -4.757 12.902 1.00 2.63 H new ATOM 0 HH11 ARG A 83 -8.644 -1.248 12.786 1.00 4.77 H new ATOM 0 HH12 ARG A 83 -10.355 -0.918 13.076 1.00 4.77 H new ATOM 0 HH21 ARG A 83 -11.320 -4.204 13.169 1.00 4.39 H new ATOM 0 HH22 ARG A 83 -11.790 -2.504 13.281 1.00 4.39 H new ATOM 798 N ASP A 84 -7.128 -4.246 8.029 1.00 0.52 N ATOM 799 CA ASP A 84 -7.905 -4.917 6.983 1.00 0.53 C ATOM 800 C ASP A 84 -7.357 -4.669 5.561 1.00 0.45 C ATOM 801 O ASP A 84 -8.111 -4.713 4.586 1.00 0.51 O ATOM 802 CB ASP A 84 -9.394 -4.581 7.178 1.00 0.81 C ATOM 803 CG ASP A 84 -10.362 -5.509 6.435 1.00 2.30 C ATOM 804 OD1 ASP A 84 -10.343 -6.745 6.660 1.00 3.45 O ATOM 805 OD2 ASP A 84 -11.214 -5.006 5.669 1.00 3.30 O ATOM 0 H ASP A 84 -7.560 -3.373 8.331 1.00 0.52 H new ATOM 0 HA ASP A 84 -7.798 -5.997 7.087 1.00 0.53 H new ATOM 0 HB2 ASP A 84 -9.624 -4.616 8.243 1.00 0.81 H new ATOM 0 HB3 ASP A 84 -9.568 -3.557 6.848 1.00 0.81 H new ATOM 810 N TYR A 85 -6.047 -4.415 5.417 1.00 0.42 N ATOM 811 CA TYR A 85 -5.389 -4.489 4.121 1.00 0.43 C ATOM 812 C TYR A 85 -5.291 -5.940 3.627 1.00 0.43 C ATOM 813 O TYR A 85 -5.265 -6.899 4.403 1.00 0.48 O ATOM 814 CB TYR A 85 -3.948 -3.914 4.157 1.00 0.47 C ATOM 815 CG TYR A 85 -3.065 -4.436 5.270 1.00 0.50 C ATOM 816 CD1 TYR A 85 -2.374 -5.632 5.024 1.00 1.99 C ATOM 817 CD2 TYR A 85 -2.984 -3.812 6.535 1.00 1.86 C ATOM 818 CE1 TYR A 85 -1.672 -6.271 6.061 1.00 2.10 C ATOM 819 CE2 TYR A 85 -2.265 -4.444 7.573 1.00 1.79 C ATOM 820 CZ TYR A 85 -1.636 -5.691 7.344 1.00 0.63 C ATOM 821 OH TYR A 85 -1.010 -6.354 8.353 1.00 0.75 O ATOM 0 H TYR A 85 -5.430 -4.157 6.187 1.00 0.42 H new ATOM 0 HA TYR A 85 -6.004 -3.893 3.447 1.00 0.43 H new ATOM 0 HB2 TYR A 85 -3.466 -4.129 3.203 1.00 0.47 H new ATOM 0 HB3 TYR A 85 -4.011 -2.829 4.245 1.00 0.47 H new ATOM 0 HD1 TYR A 85 -2.381 -6.064 4.034 1.00 1.99 H new ATOM 0 HD2 TYR A 85 -3.467 -2.861 6.706 1.00 1.86 H new ATOM 0 HE1 TYR A 85 -1.162 -7.204 5.874 1.00 2.10 H new ATOM 0 HE2 TYR A 85 -2.195 -3.975 8.543 1.00 1.79 H new ATOM 0 HH TYR A 85 -1.068 -5.826 9.177 1.00 0.75 H new ATOM 831 N ALA A 86 -5.110 -6.067 2.317 1.00 0.40 N ATOM 832 CA ALA A 86 -4.523 -7.250 1.701 1.00 0.37 C ATOM 833 C ALA A 86 -3.052 -6.944 1.406 1.00 0.37 C ATOM 834 O ALA A 86 -2.768 -6.003 0.663 1.00 0.42 O ATOM 835 CB ALA A 86 -5.330 -7.610 0.453 1.00 0.39 C ATOM 0 H ALA A 86 -5.370 -5.344 1.646 1.00 0.40 H new ATOM 0 HA ALA A 86 -4.557 -8.119 2.357 1.00 0.37 H new ATOM 0 HB1 ALA A 86 -4.899 -8.494 -0.016 1.00 0.39 H new ATOM 0 HB2 ALA A 86 -6.363 -7.815 0.734 1.00 0.39 H new ATOM 0 HB3 ALA A 86 -5.304 -6.777 -0.250 1.00 0.39 H new ATOM 841 N ALA A 87 -2.118 -7.673 2.027 1.00 0.34 N ATOM 842 CA ALA A 87 -0.688 -7.444 1.835 1.00 0.33 C ATOM 843 C ALA A 87 -0.182 -8.394 0.718 1.00 0.30 C ATOM 844 O ALA A 87 0.020 -9.587 0.962 1.00 0.36 O ATOM 845 CB ALA A 87 0.092 -7.714 3.138 1.00 0.39 C ATOM 0 H ALA A 87 -2.334 -8.433 2.672 1.00 0.34 H new ATOM 0 HA ALA A 87 -0.526 -6.404 1.553 1.00 0.33 H new ATOM 0 HB1 ALA A 87 1.154 -7.537 2.970 1.00 0.39 H new ATOM 0 HB2 ALA A 87 -0.267 -7.047 3.922 1.00 0.39 H new ATOM 0 HB3 ALA A 87 -0.059 -8.749 3.445 1.00 0.39 H new ATOM 851 N TYR A 88 0.022 -7.898 -0.498 1.00 0.26 N ATOM 852 CA TYR A 88 0.543 -8.659 -1.634 1.00 0.28 C ATOM 853 C TYR A 88 2.064 -8.774 -1.585 1.00 0.26 C ATOM 854 O TYR A 88 2.785 -7.781 -1.748 1.00 0.29 O ATOM 855 CB TYR A 88 0.083 -8.035 -2.960 1.00 0.36 C ATOM 856 CG TYR A 88 -1.360 -8.342 -3.308 1.00 0.49 C ATOM 857 CD1 TYR A 88 -2.412 -7.678 -2.646 1.00 1.90 C ATOM 858 CD2 TYR A 88 -1.645 -9.301 -4.296 1.00 1.84 C ATOM 859 CE1 TYR A 88 -3.752 -7.996 -2.952 1.00 2.00 C ATOM 860 CE2 TYR A 88 -2.980 -9.597 -4.623 1.00 1.88 C ATOM 861 CZ TYR A 88 -4.035 -8.964 -3.937 1.00 0.86 C ATOM 862 OH TYR A 88 -5.319 -9.299 -4.219 1.00 1.06 O ATOM 0 H TYR A 88 -0.176 -6.925 -0.730 1.00 0.26 H new ATOM 0 HA TYR A 88 0.138 -9.669 -1.569 1.00 0.28 H new ATOM 0 HB2 TYR A 88 0.213 -6.954 -2.907 1.00 0.36 H new ATOM 0 HB3 TYR A 88 0.726 -8.395 -3.763 1.00 0.36 H new ATOM 0 HD1 TYR A 88 -2.192 -6.925 -1.904 1.00 1.90 H new ATOM 0 HD2 TYR A 88 -0.839 -9.810 -4.803 1.00 1.84 H new ATOM 0 HE1 TYR A 88 -4.559 -7.499 -2.433 1.00 2.00 H new ATOM 0 HE2 TYR A 88 -3.197 -10.312 -5.403 1.00 1.88 H new ATOM 0 HH TYR A 88 -5.332 -9.980 -4.923 1.00 1.06 H new ATOM 872 N ASN A 89 2.543 -10.014 -1.439 1.00 0.30 N ATOM 873 CA ASN A 89 3.911 -10.370 -1.660 1.00 0.37 C ATOM 874 C ASN A 89 4.224 -10.425 -3.160 1.00 0.45 C ATOM 875 O ASN A 89 3.807 -11.352 -3.864 1.00 0.60 O ATOM 876 CB ASN A 89 4.136 -11.711 -0.964 1.00 0.52 C ATOM 877 CG ASN A 89 5.607 -12.014 -0.894 1.00 1.21 C ATOM 878 OD1 ASN A 89 6.412 -11.597 -1.715 1.00 2.24 O ATOM 879 ND2 ASN A 89 6.012 -12.729 0.112 1.00 1.30 N ATOM 0 H ASN A 89 1.960 -10.802 -1.157 1.00 0.30 H new ATOM 0 HA ASN A 89 4.590 -9.624 -1.247 1.00 0.37 H new ATOM 0 HB2 ASN A 89 3.714 -11.684 0.041 1.00 0.52 H new ATOM 0 HB3 ASN A 89 3.619 -12.503 -1.506 1.00 0.52 H new ATOM 0 HD21 ASN A 89 7.003 -12.944 0.219 1.00 1.30 H new ATOM 0 HD22 ASN A 89 5.339 -13.076 0.795 1.00 1.30 H new ATOM 886 N VAL A 90 4.988 -9.446 -3.640 1.00 0.44 N ATOM 887 CA VAL A 90 5.385 -9.340 -5.056 1.00 0.63 C ATOM 888 C VAL A 90 6.641 -10.148 -5.418 1.00 0.82 C ATOM 889 O VAL A 90 7.163 -9.990 -6.512 1.00 1.14 O ATOM 890 CB VAL A 90 5.435 -7.878 -5.546 1.00 0.72 C ATOM 891 CG1 VAL A 90 4.126 -7.151 -5.202 1.00 0.68 C ATOM 892 CG2 VAL A 90 6.624 -7.097 -4.976 1.00 0.76 C ATOM 0 H VAL A 90 5.356 -8.694 -3.058 1.00 0.44 H new ATOM 0 HA VAL A 90 4.585 -9.822 -5.617 1.00 0.63 H new ATOM 0 HB VAL A 90 5.564 -7.920 -6.628 1.00 0.72 H new ATOM 0 HG11 VAL A 90 4.178 -6.121 -5.555 1.00 0.68 H new ATOM 0 HG12 VAL A 90 3.291 -7.658 -5.685 1.00 0.68 H new ATOM 0 HG13 VAL A 90 3.979 -7.158 -4.122 1.00 0.68 H new ATOM 0 HG21 VAL A 90 6.605 -6.076 -5.357 1.00 0.76 H new ATOM 0 HG22 VAL A 90 6.560 -7.080 -3.888 1.00 0.76 H new ATOM 0 HG23 VAL A 90 7.554 -7.579 -5.277 1.00 0.76 H new ATOM 902 N LEU A 91 7.125 -11.033 -4.537 1.00 0.81 N ATOM 903 CA LEU A 91 8.113 -12.075 -4.879 1.00 1.09 C ATOM 904 C LEU A 91 7.449 -13.385 -5.315 1.00 1.06 C ATOM 905 O LEU A 91 8.066 -14.189 -6.018 1.00 1.20 O ATOM 906 CB LEU A 91 9.006 -12.371 -3.664 1.00 1.24 C ATOM 907 CG LEU A 91 9.870 -11.193 -3.210 1.00 1.45 C ATOM 908 CD1 LEU A 91 10.488 -11.527 -1.857 1.00 1.54 C ATOM 909 CD2 LEU A 91 10.984 -10.877 -4.214 1.00 1.89 C ATOM 0 H LEU A 91 6.842 -11.049 -3.557 1.00 0.81 H new ATOM 0 HA LEU A 91 8.702 -11.689 -5.711 1.00 1.09 H new ATOM 0 HB2 LEU A 91 8.375 -12.684 -2.832 1.00 1.24 H new ATOM 0 HB3 LEU A 91 9.657 -13.212 -3.904 1.00 1.24 H new ATOM 0 HG LEU A 91 9.232 -10.312 -3.138 1.00 1.45 H new ATOM 0 HD11 LEU A 91 11.106 -10.694 -1.524 1.00 1.54 H new ATOM 0 HD12 LEU A 91 9.696 -11.705 -1.129 1.00 1.54 H new ATOM 0 HD13 LEU A 91 11.104 -12.422 -1.949 1.00 1.54 H new ATOM 0 HD21 LEU A 91 11.572 -10.034 -3.851 1.00 1.89 H new ATOM 0 HD22 LEU A 91 11.629 -11.748 -4.327 1.00 1.89 H new ATOM 0 HD23 LEU A 91 10.544 -10.624 -5.178 1.00 1.89 H new ATOM 921 N ASP A 92 6.206 -13.607 -4.880 1.00 0.93 N ATOM 922 CA ASP A 92 5.502 -14.891 -4.982 1.00 0.87 C ATOM 923 C ASP A 92 5.182 -15.266 -6.433 1.00 0.80 C ATOM 924 O ASP A 92 5.428 -16.389 -6.873 1.00 0.81 O ATOM 925 CB ASP A 92 4.221 -14.799 -4.172 1.00 1.01 C ATOM 926 CG ASP A 92 3.551 -16.160 -4.004 1.00 1.34 C ATOM 927 OD1 ASP A 92 4.180 -17.078 -3.426 1.00 1.64 O ATOM 928 OD2 ASP A 92 2.398 -16.321 -4.466 1.00 2.50 O ATOM 0 H ASP A 92 5.645 -12.880 -4.435 1.00 0.93 H new ATOM 0 HA ASP A 92 6.152 -15.674 -4.592 1.00 0.87 H new ATOM 0 HB2 ASP A 92 4.442 -14.380 -3.190 1.00 1.01 H new ATOM 0 HB3 ASP A 92 3.530 -14.113 -4.663 1.00 1.01 H new ATOM 933 N ASP A 93 4.713 -14.280 -7.187 1.00 0.85 N ATOM 934 CA ASP A 93 4.537 -14.319 -8.631 1.00 0.82 C ATOM 935 C ASP A 93 5.509 -13.332 -9.316 1.00 0.69 C ATOM 936 O ASP A 93 5.435 -12.131 -9.031 1.00 0.55 O ATOM 937 CB ASP A 93 3.085 -13.939 -8.945 1.00 1.04 C ATOM 938 CG ASP A 93 2.111 -15.108 -8.831 1.00 1.25 C ATOM 939 OD1 ASP A 93 2.024 -15.898 -9.802 1.00 2.43 O ATOM 940 OD2 ASP A 93 1.375 -15.205 -7.818 1.00 1.39 O ATOM 0 H ASP A 93 4.431 -13.386 -6.786 1.00 0.85 H new ATOM 0 HA ASP A 93 4.753 -15.319 -9.008 1.00 0.82 H new ATOM 0 HB2 ASP A 93 2.770 -13.147 -8.266 1.00 1.04 H new ATOM 0 HB3 ASP A 93 3.035 -13.532 -9.955 1.00 1.04 H new ATOM 945 N PRO A 94 6.346 -13.758 -10.286 1.00 0.77 N ATOM 946 CA PRO A 94 7.119 -12.818 -11.110 1.00 0.77 C ATOM 947 C PRO A 94 6.195 -11.890 -11.918 1.00 0.70 C ATOM 948 O PRO A 94 6.537 -10.747 -12.208 1.00 0.68 O ATOM 949 CB PRO A 94 7.982 -13.701 -12.016 1.00 1.01 C ATOM 950 CG PRO A 94 7.165 -14.984 -12.159 1.00 1.07 C ATOM 951 CD PRO A 94 6.511 -15.118 -10.785 1.00 0.94 C ATOM 0 HA PRO A 94 7.732 -12.150 -10.504 1.00 0.77 H new ATOM 0 HB2 PRO A 94 8.159 -13.230 -12.983 1.00 1.01 H new ATOM 0 HB3 PRO A 94 8.958 -13.896 -11.572 1.00 1.01 H new ATOM 0 HG2 PRO A 94 6.424 -14.906 -12.955 1.00 1.07 H new ATOM 0 HG3 PRO A 94 7.795 -15.842 -12.393 1.00 1.07 H new ATOM 0 HD2 PRO A 94 5.550 -15.626 -10.858 1.00 0.94 H new ATOM 0 HD3 PRO A 94 7.133 -15.708 -10.112 1.00 0.94 H new ATOM 959 N GLU A 95 4.976 -12.352 -12.201 1.00 0.72 N ATOM 960 CA GLU A 95 3.890 -11.620 -12.822 1.00 0.72 C ATOM 961 C GLU A 95 3.421 -10.439 -11.951 1.00 0.62 C ATOM 962 O GLU A 95 3.237 -9.333 -12.460 1.00 0.65 O ATOM 963 CB GLU A 95 2.757 -12.630 -13.094 1.00 0.82 C ATOM 964 CG GLU A 95 3.237 -14.032 -13.542 1.00 0.78 C ATOM 965 CD GLU A 95 2.145 -14.921 -14.153 1.00 1.98 C ATOM 966 OE1 GLU A 95 1.037 -15.035 -13.572 1.00 3.41 O ATOM 967 OE2 GLU A 95 2.392 -15.520 -15.228 1.00 2.77 O ATOM 0 H GLU A 95 4.712 -13.313 -11.985 1.00 0.72 H new ATOM 0 HA GLU A 95 4.222 -11.170 -13.758 1.00 0.72 H new ATOM 0 HB2 GLU A 95 2.159 -12.737 -12.189 1.00 0.82 H new ATOM 0 HB3 GLU A 95 2.101 -12.222 -13.863 1.00 0.82 H new ATOM 0 HG2 GLU A 95 4.038 -13.911 -14.272 1.00 0.78 H new ATOM 0 HG3 GLU A 95 3.665 -14.546 -12.682 1.00 0.78 H new ATOM 974 N LEU A 96 3.339 -10.637 -10.626 1.00 0.52 N ATOM 975 CA LEU A 96 3.123 -9.546 -9.665 1.00 0.43 C ATOM 976 C LEU A 96 4.344 -8.618 -9.610 1.00 0.37 C ATOM 977 O LEU A 96 4.178 -7.399 -9.570 1.00 0.39 O ATOM 978 CB LEU A 96 2.848 -10.065 -8.233 1.00 0.44 C ATOM 979 CG LEU A 96 1.444 -10.617 -7.932 1.00 0.46 C ATOM 980 CD1 LEU A 96 1.415 -11.136 -6.488 1.00 0.53 C ATOM 981 CD2 LEU A 96 0.364 -9.542 -8.058 1.00 0.58 C ATOM 0 H LEU A 96 3.421 -11.557 -10.192 1.00 0.52 H new ATOM 0 HA LEU A 96 2.246 -9.004 -10.017 1.00 0.43 H new ATOM 0 HB2 LEU A 96 3.571 -10.851 -8.016 1.00 0.44 H new ATOM 0 HB3 LEU A 96 3.045 -9.250 -7.537 1.00 0.44 H new ATOM 0 HG LEU A 96 1.240 -11.407 -8.655 1.00 0.46 H new ATOM 0 HD11 LEU A 96 0.424 -11.530 -6.263 1.00 0.53 H new ATOM 0 HD12 LEU A 96 2.155 -11.927 -6.371 1.00 0.53 H new ATOM 0 HD13 LEU A 96 1.645 -10.320 -5.803 1.00 0.53 H new ATOM 0 HD21 LEU A 96 -0.610 -9.977 -7.837 1.00 0.58 H new ATOM 0 HD22 LEU A 96 0.569 -8.736 -7.354 1.00 0.58 H new ATOM 0 HD23 LEU A 96 0.362 -9.146 -9.073 1.00 0.58 H new ATOM 993 N ARG A 97 5.560 -9.182 -9.619 1.00 0.41 N ATOM 994 CA ARG A 97 6.819 -8.423 -9.534 1.00 0.43 C ATOM 995 C ARG A 97 6.957 -7.423 -10.682 1.00 0.45 C ATOM 996 O ARG A 97 7.043 -6.219 -10.444 1.00 0.46 O ATOM 997 CB ARG A 97 8.006 -9.402 -9.457 1.00 0.53 C ATOM 998 CG ARG A 97 9.229 -8.783 -8.763 1.00 0.60 C ATOM 999 CD ARG A 97 10.177 -9.900 -8.316 1.00 0.77 C ATOM 1000 NE ARG A 97 11.452 -9.375 -7.797 1.00 1.97 N ATOM 1001 CZ ARG A 97 12.574 -10.064 -7.707 1.00 2.52 C ATOM 1002 NH1 ARG A 97 12.620 -11.352 -7.866 1.00 1.86 N ATOM 1003 NH2 ARG A 97 13.709 -9.485 -7.458 1.00 3.98 N ATOM 0 H ARG A 97 5.700 -10.190 -9.686 1.00 0.41 H new ATOM 0 HA ARG A 97 6.812 -7.826 -8.622 1.00 0.43 H new ATOM 0 HB2 ARG A 97 7.700 -10.298 -8.918 1.00 0.53 H new ATOM 0 HB3 ARG A 97 8.282 -9.715 -10.464 1.00 0.53 H new ATOM 0 HG2 ARG A 97 9.743 -8.105 -9.444 1.00 0.60 H new ATOM 0 HG3 ARG A 97 8.913 -8.192 -7.903 1.00 0.60 H new ATOM 0 HD2 ARG A 97 9.692 -10.499 -7.545 1.00 0.77 H new ATOM 0 HD3 ARG A 97 10.375 -10.564 -9.157 1.00 0.77 H new ATOM 0 HE ARG A 97 11.469 -8.405 -7.483 1.00 1.97 H new ATOM 0 HH11 ARG A 97 11.766 -11.872 -8.069 1.00 1.86 H new ATOM 0 HH12 ARG A 97 13.510 -11.844 -7.788 1.00 1.86 H new ATOM 0 HH21 ARG A 97 13.748 -8.474 -7.327 1.00 3.98 H new ATOM 0 HH22 ARG A 97 14.562 -10.041 -7.394 1.00 3.98 H new ATOM 1017 N GLN A 98 6.872 -7.891 -11.927 1.00 0.54 N ATOM 1018 CA GLN A 98 6.862 -7.006 -13.094 1.00 0.67 C ATOM 1019 C GLN A 98 5.618 -6.140 -13.132 1.00 0.68 C ATOM 1020 O GLN A 98 5.709 -4.950 -13.437 1.00 0.78 O ATOM 1021 CB GLN A 98 6.961 -7.826 -14.386 1.00 0.84 C ATOM 1022 CG GLN A 98 7.367 -6.993 -15.617 1.00 1.28 C ATOM 1023 CD GLN A 98 6.197 -6.577 -16.513 1.00 2.66 C ATOM 1024 OE1 GLN A 98 5.954 -7.163 -17.559 1.00 3.58 O ATOM 1025 NE2 GLN A 98 5.446 -5.554 -16.175 1.00 3.57 N ATOM 0 H GLN A 98 6.809 -8.883 -12.155 1.00 0.54 H new ATOM 0 HA GLN A 98 7.728 -6.349 -13.012 1.00 0.67 H new ATOM 0 HB2 GLN A 98 7.688 -8.626 -14.244 1.00 0.84 H new ATOM 0 HB3 GLN A 98 5.999 -8.300 -14.580 1.00 0.84 H new ATOM 0 HG2 GLN A 98 7.886 -6.096 -15.279 1.00 1.28 H new ATOM 0 HG3 GLN A 98 8.077 -7.568 -16.211 1.00 1.28 H new ATOM 0 HE21 GLN A 98 5.630 -5.051 -15.307 1.00 3.57 H new ATOM 0 HE22 GLN A 98 4.678 -5.263 -16.780 1.00 3.57 H new ATOM 1034 N GLY A 99 4.477 -6.734 -12.785 1.00 0.60 N ATOM 1035 CA GLY A 99 3.216 -6.029 -12.633 1.00 0.71 C ATOM 1036 C GLY A 99 3.376 -4.728 -11.856 1.00 0.65 C ATOM 1037 O GLY A 99 3.016 -3.670 -12.369 1.00 0.66 O ATOM 0 H GLY A 99 4.407 -7.735 -12.600 1.00 0.60 H new ATOM 0 HA2 GLY A 99 2.801 -5.814 -13.618 1.00 0.71 H new ATOM 0 HA3 GLY A 99 2.501 -6.672 -12.119 1.00 0.71 H new ATOM 1041 N ILE A 100 4.003 -4.777 -10.677 1.00 0.58 N ATOM 1042 CA ILE A 100 4.128 -3.620 -9.799 1.00 0.57 C ATOM 1043 C ILE A 100 5.310 -2.721 -10.159 1.00 0.57 C ATOM 1044 O ILE A 100 5.193 -1.500 -10.035 1.00 0.64 O ATOM 1045 CB ILE A 100 4.099 -4.071 -8.341 1.00 0.53 C ATOM 1046 CG1 ILE A 100 3.473 -2.984 -7.465 1.00 0.57 C ATOM 1047 CG2 ILE A 100 5.477 -4.470 -7.786 1.00 0.49 C ATOM 1048 CD1 ILE A 100 2.045 -2.528 -7.804 1.00 0.70 C ATOM 0 H ILE A 100 4.437 -5.623 -10.308 1.00 0.58 H new ATOM 0 HA ILE A 100 3.264 -2.973 -9.951 1.00 0.57 H new ATOM 0 HB ILE A 100 3.488 -4.973 -8.315 1.00 0.53 H new ATOM 0 HG12 ILE A 100 3.476 -3.341 -6.435 1.00 0.57 H new ATOM 0 HG13 ILE A 100 4.122 -2.109 -7.501 1.00 0.57 H new ATOM 0 HG21 ILE A 100 5.375 -4.778 -6.746 1.00 0.49 H new ATOM 0 HG22 ILE A 100 5.880 -5.296 -8.372 1.00 0.49 H new ATOM 0 HG23 ILE A 100 6.154 -3.618 -7.847 1.00 0.49 H new ATOM 0 HD11 ILE A 100 1.733 -1.756 -7.101 1.00 0.70 H new ATOM 0 HD12 ILE A 100 2.022 -2.127 -8.817 1.00 0.70 H new ATOM 0 HD13 ILE A 100 1.366 -3.378 -7.735 1.00 0.70 H new ATOM 1060 N LYS A 101 6.420 -3.286 -10.661 1.00 0.55 N ATOM 1061 CA LYS A 101 7.566 -2.500 -11.148 1.00 0.61 C ATOM 1062 C LYS A 101 7.198 -1.600 -12.326 1.00 0.68 C ATOM 1063 O LYS A 101 7.711 -0.487 -12.435 1.00 0.73 O ATOM 1064 CB LYS A 101 8.728 -3.422 -11.541 1.00 0.62 C ATOM 1065 CG LYS A 101 9.439 -4.024 -10.319 1.00 0.61 C ATOM 1066 CD LYS A 101 10.469 -5.087 -10.724 1.00 0.69 C ATOM 1067 CE LYS A 101 11.671 -4.483 -11.462 1.00 1.34 C ATOM 1068 NZ LYS A 101 12.544 -5.542 -12.014 1.00 1.54 N ATOM 0 H LYS A 101 6.548 -4.295 -10.741 1.00 0.55 H new ATOM 0 HA LYS A 101 7.875 -1.856 -10.325 1.00 0.61 H new ATOM 0 HB2 LYS A 101 8.352 -4.227 -12.172 1.00 0.62 H new ATOM 0 HB3 LYS A 101 9.448 -2.861 -12.136 1.00 0.62 H new ATOM 0 HG2 LYS A 101 9.936 -3.231 -9.761 1.00 0.61 H new ATOM 0 HG3 LYS A 101 8.701 -4.469 -9.652 1.00 0.61 H new ATOM 0 HD2 LYS A 101 10.818 -5.610 -9.833 1.00 0.69 H new ATOM 0 HD3 LYS A 101 9.990 -5.830 -11.362 1.00 0.69 H new ATOM 0 HE2 LYS A 101 11.320 -3.839 -12.269 1.00 1.34 H new ATOM 0 HE3 LYS A 101 12.243 -3.855 -10.779 1.00 1.34 H new ATOM 0 HZ1 LYS A 101 13.349 -5.106 -12.508 1.00 1.54 H new ATOM 0 HZ2 LYS A 101 12.896 -6.140 -11.240 1.00 1.54 H new ATOM 0 HZ3 LYS A 101 12.002 -6.125 -12.683 1.00 1.54 H new ATOM 1082 N ASP A 102 6.276 -2.044 -13.179 1.00 0.73 N ATOM 1083 CA ASP A 102 5.744 -1.229 -14.270 1.00 0.82 C ATOM 1084 C ASP A 102 4.620 -0.297 -13.785 1.00 0.84 C ATOM 1085 O ASP A 102 4.664 0.905 -14.050 1.00 0.91 O ATOM 1086 CB ASP A 102 5.297 -2.146 -15.416 1.00 0.84 C ATOM 1087 CG ASP A 102 5.105 -1.376 -16.722 1.00 0.99 C ATOM 1088 OD1 ASP A 102 6.123 -0.926 -17.296 1.00 1.79 O ATOM 1089 OD2 ASP A 102 3.955 -1.239 -17.206 1.00 1.71 O ATOM 0 H ASP A 102 5.876 -2.981 -13.133 1.00 0.73 H new ATOM 0 HA ASP A 102 6.530 -0.573 -14.645 1.00 0.82 H new ATOM 0 HB2 ASP A 102 6.039 -2.931 -15.563 1.00 0.84 H new ATOM 0 HB3 ASP A 102 4.363 -2.638 -15.144 1.00 0.84 H new ATOM 1094 N TYR A 103 3.647 -0.806 -13.016 1.00 0.80 N ATOM 1095 CA TYR A 103 2.459 -0.030 -12.622 1.00 0.84 C ATOM 1096 C TYR A 103 2.766 1.092 -11.617 1.00 0.94 C ATOM 1097 O TYR A 103 2.170 2.165 -11.695 1.00 1.09 O ATOM 1098 CB TYR A 103 1.391 -0.991 -12.089 1.00 0.76 C ATOM 1099 CG TYR A 103 -0.042 -0.512 -12.179 1.00 0.64 C ATOM 1100 CD1 TYR A 103 -0.555 0.403 -11.243 1.00 1.91 C ATOM 1101 CD2 TYR A 103 -0.885 -1.059 -13.164 1.00 2.01 C ATOM 1102 CE1 TYR A 103 -1.927 0.742 -11.267 1.00 1.75 C ATOM 1103 CE2 TYR A 103 -2.250 -0.726 -13.186 1.00 2.22 C ATOM 1104 CZ TYR A 103 -2.773 0.181 -12.248 1.00 0.85 C ATOM 1105 OH TYR A 103 -4.087 0.516 -12.334 1.00 1.12 O ATOM 0 H TYR A 103 3.659 -1.759 -12.652 1.00 0.80 H new ATOM 0 HA TYR A 103 2.085 0.482 -13.509 1.00 0.84 H new ATOM 0 HB2 TYR A 103 1.473 -1.931 -12.634 1.00 0.76 H new ATOM 0 HB3 TYR A 103 1.615 -1.208 -11.045 1.00 0.76 H new ATOM 0 HD1 TYR A 103 0.099 0.846 -10.506 1.00 1.91 H new ATOM 0 HD2 TYR A 103 -0.483 -1.735 -13.904 1.00 2.01 H new ATOM 0 HE1 TYR A 103 -2.327 1.429 -10.536 1.00 1.75 H new ATOM 0 HE2 TYR A 103 -2.900 -1.169 -13.926 1.00 2.22 H new ATOM 0 HH TYR A 103 -4.502 0.025 -13.074 1.00 1.12 H new ATOM 1115 N SER A 104 3.743 0.899 -10.725 1.00 0.89 N ATOM 1116 CA SER A 104 4.311 1.977 -9.892 1.00 0.92 C ATOM 1117 C SER A 104 5.433 2.763 -10.587 1.00 0.96 C ATOM 1118 O SER A 104 5.901 3.774 -10.058 1.00 1.08 O ATOM 1119 CB SER A 104 4.798 1.434 -8.545 1.00 0.91 C ATOM 1120 OG SER A 104 5.964 0.643 -8.678 1.00 2.13 O ATOM 0 H SER A 104 4.168 -0.013 -10.556 1.00 0.89 H new ATOM 0 HA SER A 104 3.496 2.681 -9.723 1.00 0.92 H new ATOM 0 HB2 SER A 104 5.001 2.267 -7.871 1.00 0.91 H new ATOM 0 HB3 SER A 104 4.007 0.839 -8.088 1.00 0.91 H new ATOM 0 HG SER A 104 5.765 -0.143 -9.228 1.00 2.13 H new ATOM 1126 N ASN A 105 5.850 2.313 -11.778 1.00 0.96 N ATOM 1127 CA ASN A 105 6.982 2.843 -12.551 1.00 1.03 C ATOM 1128 C ASN A 105 8.364 2.818 -11.823 1.00 0.96 C ATOM 1129 O ASN A 105 9.273 3.557 -12.214 1.00 1.04 O ATOM 1130 CB ASN A 105 6.560 4.227 -13.103 1.00 1.22 C ATOM 1131 CG ASN A 105 7.096 4.573 -14.472 1.00 1.45 C ATOM 1132 OD1 ASN A 105 6.355 4.874 -15.400 1.00 1.93 O ATOM 1133 ND2 ASN A 105 8.384 4.624 -14.644 1.00 1.39 N ATOM 0 H ASN A 105 5.388 1.536 -12.250 1.00 0.96 H new ATOM 0 HA ASN A 105 7.189 2.168 -13.381 1.00 1.03 H new ATOM 0 HB2 ASN A 105 5.471 4.268 -13.137 1.00 1.22 H new ATOM 0 HB3 ASN A 105 6.886 4.994 -12.400 1.00 1.22 H new ATOM 0 HD21 ASN A 105 8.767 4.912 -15.544 1.00 1.39 H new ATOM 0 HD22 ASN A 105 9.011 4.376 -13.879 1.00 1.39 H new ATOM 1140 N TRP A 106 8.547 2.003 -10.770 1.00 0.86 N ATOM 1141 CA TRP A 106 9.761 1.969 -9.926 1.00 0.76 C ATOM 1142 C TRP A 106 10.444 0.585 -9.877 1.00 0.70 C ATOM 1143 O TRP A 106 9.750 -0.429 -9.914 1.00 0.77 O ATOM 1144 CB TRP A 106 9.417 2.443 -8.500 1.00 0.76 C ATOM 1145 CG TRP A 106 10.195 3.633 -8.035 1.00 0.82 C ATOM 1146 CD1 TRP A 106 11.132 3.643 -7.058 1.00 0.83 C ATOM 1147 CD2 TRP A 106 10.150 4.998 -8.553 1.00 0.95 C ATOM 1148 NE1 TRP A 106 11.671 4.908 -6.948 1.00 0.94 N ATOM 1149 CE2 TRP A 106 11.129 5.775 -7.868 1.00 1.02 C ATOM 1150 CE3 TRP A 106 9.393 5.657 -9.547 1.00 1.07 C ATOM 1151 CZ2 TRP A 106 11.367 7.125 -8.167 1.00 1.21 C ATOM 1152 CZ3 TRP A 106 9.630 7.010 -9.863 1.00 1.26 C ATOM 1153 CH2 TRP A 106 10.617 7.742 -9.181 1.00 1.33 C ATOM 0 H TRP A 106 7.839 1.332 -10.472 1.00 0.86 H new ATOM 0 HA TRP A 106 10.480 2.645 -10.388 1.00 0.76 H new ATOM 0 HB2 TRP A 106 8.354 2.681 -8.457 1.00 0.76 H new ATOM 0 HB3 TRP A 106 9.588 1.620 -7.806 1.00 0.76 H new ATOM 0 HD1 TRP A 106 11.414 2.791 -6.457 1.00 0.83 H new ATOM 0 HE1 TRP A 106 12.385 5.169 -6.267 1.00 0.94 H new ATOM 0 HE3 TRP A 106 8.621 5.116 -10.073 1.00 1.07 H new ATOM 0 HZ2 TRP A 106 12.117 7.682 -7.625 1.00 1.21 H new ATOM 0 HZ3 TRP A 106 9.048 7.489 -10.636 1.00 1.26 H new ATOM 0 HH2 TRP A 106 10.798 8.776 -9.436 1.00 1.33 H new ATOM 1164 N PRO A 107 11.783 0.499 -9.716 1.00 0.71 N ATOM 1165 CA PRO A 107 12.512 -0.777 -9.629 1.00 0.73 C ATOM 1166 C PRO A 107 12.170 -1.622 -8.389 1.00 0.69 C ATOM 1167 O PRO A 107 12.136 -2.849 -8.475 1.00 0.78 O ATOM 1168 CB PRO A 107 13.999 -0.392 -9.634 1.00 0.86 C ATOM 1169 CG PRO A 107 14.001 1.035 -9.085 1.00 1.16 C ATOM 1170 CD PRO A 107 12.723 1.611 -9.679 1.00 0.84 C ATOM 0 HA PRO A 107 12.230 -1.417 -10.465 1.00 0.73 H new ATOM 0 HB2 PRO A 107 14.589 -1.063 -9.010 1.00 0.86 H new ATOM 0 HB3 PRO A 107 14.422 -0.436 -10.638 1.00 0.86 H new ATOM 0 HG2 PRO A 107 13.987 1.052 -7.995 1.00 1.16 H new ATOM 0 HG3 PRO A 107 14.883 1.591 -9.401 1.00 1.16 H new ATOM 0 HD2 PRO A 107 12.340 2.430 -9.070 1.00 0.84 H new ATOM 0 HD3 PRO A 107 12.899 2.011 -10.677 1.00 0.84 H new ATOM 1178 N THR A 108 11.924 -0.992 -7.233 1.00 0.69 N ATOM 1179 CA THR A 108 11.431 -1.612 -5.982 1.00 0.94 C ATOM 1180 C THR A 108 10.985 -0.519 -5.003 1.00 0.85 C ATOM 1181 O THR A 108 11.699 0.465 -4.800 1.00 1.46 O ATOM 1182 CB THR A 108 12.507 -2.511 -5.323 1.00 1.37 C ATOM 1183 OG1 THR A 108 12.530 -3.753 -5.992 1.00 2.67 O ATOM 1184 CG2 THR A 108 12.263 -2.856 -3.852 1.00 2.15 C ATOM 0 H THR A 108 12.068 0.013 -7.133 1.00 0.69 H new ATOM 0 HA THR A 108 10.582 -2.247 -6.234 1.00 0.94 H new ATOM 0 HB THR A 108 13.429 -1.933 -5.391 1.00 1.37 H new ATOM 0 HG1 THR A 108 12.207 -3.636 -6.910 1.00 2.67 H new ATOM 0 HG21 THR A 108 13.073 -3.488 -3.487 1.00 2.15 H new ATOM 0 HG22 THR A 108 12.226 -1.939 -3.264 1.00 2.15 H new ATOM 0 HG23 THR A 108 11.316 -3.387 -3.755 1.00 2.15 H new ATOM 1192 N ILE A 109 9.804 -0.696 -4.398 1.00 0.90 N ATOM 1193 CA ILE A 109 9.283 0.058 -3.238 1.00 0.80 C ATOM 1194 C ILE A 109 8.558 -0.927 -2.282 1.00 1.16 C ATOM 1195 O ILE A 109 8.486 -2.125 -2.581 1.00 2.20 O ATOM 1196 CB ILE A 109 8.372 1.248 -3.623 1.00 1.37 C ATOM 1197 CG1 ILE A 109 8.561 1.768 -5.063 1.00 2.33 C ATOM 1198 CG2 ILE A 109 8.659 2.388 -2.622 1.00 1.29 C ATOM 1199 CD1 ILE A 109 7.788 3.059 -5.308 1.00 3.94 C ATOM 0 H ILE A 109 9.146 -1.407 -4.718 1.00 0.90 H new ATOM 0 HA ILE A 109 10.135 0.513 -2.732 1.00 0.80 H new ATOM 0 HB ILE A 109 7.341 0.896 -3.581 1.00 1.37 H new ATOM 0 HG12 ILE A 109 9.621 1.938 -5.251 1.00 2.33 H new ATOM 0 HG13 ILE A 109 8.230 1.007 -5.770 1.00 2.33 H new ATOM 0 HG21 ILE A 109 8.034 3.248 -2.861 1.00 1.29 H new ATOM 0 HG22 ILE A 109 8.437 2.048 -1.610 1.00 1.29 H new ATOM 0 HG23 ILE A 109 9.709 2.673 -2.687 1.00 1.29 H new ATOM 0 HD11 ILE A 109 7.949 3.390 -6.334 1.00 3.94 H new ATOM 0 HD12 ILE A 109 6.725 2.883 -5.146 1.00 3.94 H new ATOM 0 HD13 ILE A 109 8.137 3.828 -4.619 1.00 3.94 H new ATOM 1211 N PRO A 110 7.986 -0.465 -1.158 1.00 0.76 N ATOM 1212 CA PRO A 110 6.611 -0.834 -0.805 1.00 0.74 C ATOM 1213 C PRO A 110 5.618 0.217 -1.300 1.00 0.39 C ATOM 1214 O PRO A 110 5.915 1.410 -1.204 1.00 0.39 O ATOM 1215 CB PRO A 110 6.550 -0.943 0.724 1.00 1.14 C ATOM 1216 CG PRO A 110 8.010 -1.062 1.129 1.00 0.75 C ATOM 1217 CD PRO A 110 8.729 -0.233 0.066 1.00 0.80 C ATOM 0 HA PRO A 110 6.341 -1.779 -1.276 1.00 0.74 H new ATOM 0 HB2 PRO A 110 6.080 -0.067 1.171 1.00 1.14 H new ATOM 0 HB3 PRO A 110 5.973 -1.811 1.042 1.00 1.14 H new ATOM 0 HG2 PRO A 110 8.184 -0.671 2.132 1.00 0.75 H new ATOM 0 HG3 PRO A 110 8.346 -2.099 1.128 1.00 0.75 H new ATOM 0 HD2 PRO A 110 8.736 0.825 0.329 1.00 0.80 H new ATOM 0 HD3 PRO A 110 9.769 -0.542 -0.039 1.00 0.80 H new ATOM 1225 N GLN A 111 4.435 -0.188 -1.767 1.00 0.37 N ATOM 1226 CA GLN A 111 3.365 0.713 -2.194 1.00 0.44 C ATOM 1227 C GLN A 111 2.076 0.436 -1.409 1.00 0.32 C ATOM 1228 O GLN A 111 1.868 -0.662 -0.882 1.00 0.30 O ATOM 1229 CB GLN A 111 3.109 0.587 -3.711 1.00 0.75 C ATOM 1230 CG GLN A 111 4.324 0.786 -4.640 1.00 0.82 C ATOM 1231 CD GLN A 111 5.125 -0.487 -4.936 1.00 1.68 C ATOM 1232 OE1 GLN A 111 5.031 -1.511 -4.285 1.00 3.06 O ATOM 1233 NE2 GLN A 111 5.959 -0.504 -5.952 1.00 1.90 N ATOM 0 H GLN A 111 4.190 -1.174 -1.860 1.00 0.37 H new ATOM 0 HA GLN A 111 3.684 1.734 -1.986 1.00 0.44 H new ATOM 0 HB2 GLN A 111 2.692 -0.401 -3.904 1.00 0.75 H new ATOM 0 HB3 GLN A 111 2.346 1.315 -3.988 1.00 0.75 H new ATOM 0 HG2 GLN A 111 3.977 1.207 -5.584 1.00 0.82 H new ATOM 0 HG3 GLN A 111 4.991 1.521 -4.190 1.00 0.82 H new ATOM 0 HE21 GLN A 111 6.075 0.328 -6.530 1.00 1.90 H new ATOM 0 HE22 GLN A 111 6.490 -1.349 -6.162 1.00 1.90 H new ATOM 1242 N VAL A 112 1.158 1.407 -1.384 1.00 0.33 N ATOM 1243 CA VAL A 112 -0.241 1.154 -1.045 1.00 0.30 C ATOM 1244 C VAL A 112 -1.150 1.876 -2.030 1.00 0.33 C ATOM 1245 O VAL A 112 -0.921 3.038 -2.379 1.00 0.54 O ATOM 1246 CB VAL A 112 -0.530 1.466 0.435 1.00 0.31 C ATOM 1247 CG1 VAL A 112 -0.467 2.950 0.805 1.00 0.35 C ATOM 1248 CG2 VAL A 112 -1.889 0.901 0.870 1.00 0.31 C ATOM 0 H VAL A 112 1.364 2.383 -1.597 1.00 0.33 H new ATOM 0 HA VAL A 112 -0.457 0.091 -1.148 1.00 0.30 H new ATOM 0 HB VAL A 112 0.280 0.974 0.973 1.00 0.31 H new ATOM 0 HG11 VAL A 112 -0.684 3.070 1.866 1.00 0.35 H new ATOM 0 HG12 VAL A 112 0.530 3.336 0.593 1.00 0.35 H new ATOM 0 HG13 VAL A 112 -1.202 3.502 0.220 1.00 0.35 H new ATOM 0 HG21 VAL A 112 -2.063 1.138 1.920 1.00 0.31 H new ATOM 0 HG22 VAL A 112 -2.678 1.344 0.262 1.00 0.31 H new ATOM 0 HG23 VAL A 112 -1.893 -0.181 0.737 1.00 0.31 H new ATOM 1258 N TYR A 113 -2.166 1.155 -2.498 1.00 0.30 N ATOM 1259 CA TYR A 113 -3.226 1.675 -3.356 1.00 0.31 C ATOM 1260 C TYR A 113 -4.532 1.662 -2.561 1.00 0.33 C ATOM 1261 O TYR A 113 -4.925 0.625 -2.017 1.00 0.38 O ATOM 1262 CB TYR A 113 -3.334 0.851 -4.653 1.00 0.36 C ATOM 1263 CG TYR A 113 -2.116 0.924 -5.561 1.00 0.40 C ATOM 1264 CD1 TYR A 113 -0.915 0.307 -5.170 1.00 1.39 C ATOM 1265 CD2 TYR A 113 -2.179 1.580 -6.808 1.00 1.49 C ATOM 1266 CE1 TYR A 113 0.228 0.382 -5.982 1.00 1.38 C ATOM 1267 CE2 TYR A 113 -1.039 1.641 -7.635 1.00 1.58 C ATOM 1268 CZ TYR A 113 0.179 1.067 -7.212 1.00 0.63 C ATOM 1269 OH TYR A 113 1.294 1.184 -7.980 1.00 0.79 O ATOM 0 H TYR A 113 -2.277 0.164 -2.284 1.00 0.30 H new ATOM 0 HA TYR A 113 -3.001 2.698 -3.658 1.00 0.31 H new ATOM 0 HB2 TYR A 113 -3.511 -0.192 -4.390 1.00 0.36 H new ATOM 0 HB3 TYR A 113 -4.206 1.192 -5.211 1.00 0.36 H new ATOM 0 HD1 TYR A 113 -0.871 -0.231 -4.234 1.00 1.39 H new ATOM 0 HD2 TYR A 113 -3.103 2.037 -7.130 1.00 1.49 H new ATOM 0 HE1 TYR A 113 1.147 -0.087 -5.663 1.00 1.38 H new ATOM 0 HE2 TYR A 113 -1.098 2.129 -8.597 1.00 1.58 H new ATOM 0 HH TYR A 113 1.079 1.686 -8.794 1.00 0.79 H new ATOM 1279 N LEU A 114 -5.203 2.813 -2.485 1.00 0.32 N ATOM 1280 CA LEU A 114 -6.497 2.938 -1.811 1.00 0.33 C ATOM 1281 C LEU A 114 -7.615 3.044 -2.841 1.00 0.37 C ATOM 1282 O LEU A 114 -7.501 3.827 -3.784 1.00 0.47 O ATOM 1283 CB LEU A 114 -6.526 4.092 -0.795 1.00 0.34 C ATOM 1284 CG LEU A 114 -6.280 3.646 0.657 1.00 0.34 C ATOM 1285 CD1 LEU A 114 -4.915 3.017 0.873 1.00 0.38 C ATOM 1286 CD2 LEU A 114 -6.473 4.851 1.573 1.00 0.43 C ATOM 0 H LEU A 114 -4.864 3.686 -2.890 1.00 0.32 H new ATOM 0 HA LEU A 114 -6.659 2.033 -1.225 1.00 0.33 H new ATOM 0 HB2 LEU A 114 -5.771 4.827 -1.072 1.00 0.34 H new ATOM 0 HB3 LEU A 114 -7.493 4.591 -0.853 1.00 0.34 H new ATOM 0 HG LEU A 114 -7.001 2.863 0.894 1.00 0.34 H new ATOM 0 HD11 LEU A 114 -4.810 2.726 1.918 1.00 0.38 H new ATOM 0 HD12 LEU A 114 -4.816 2.136 0.239 1.00 0.38 H new ATOM 0 HD13 LEU A 114 -4.138 3.737 0.617 1.00 0.38 H new ATOM 0 HD21 LEU A 114 -6.302 4.553 2.607 1.00 0.43 H new ATOM 0 HD22 LEU A 114 -5.765 5.633 1.299 1.00 0.43 H new ATOM 0 HD23 LEU A 114 -7.490 5.229 1.467 1.00 0.43 H new ATOM 1298 N ASN A 115 -8.702 2.284 -2.662 1.00 0.32 N ATOM 1299 CA ASN A 115 -9.840 2.291 -3.598 1.00 0.33 C ATOM 1300 C ASN A 115 -9.413 2.042 -5.068 1.00 0.34 C ATOM 1301 O ASN A 115 -9.901 2.680 -6.002 1.00 0.44 O ATOM 1302 CB ASN A 115 -10.641 3.587 -3.394 1.00 0.39 C ATOM 1303 CG ASN A 115 -12.098 3.449 -3.785 1.00 0.55 C ATOM 1304 OD1 ASN A 115 -12.527 2.521 -4.457 1.00 0.77 O ATOM 1305 ND2 ASN A 115 -12.919 4.360 -3.344 1.00 0.58 N ATOM 0 H ASN A 115 -8.820 1.650 -1.872 1.00 0.32 H new ATOM 0 HA ASN A 115 -10.494 1.449 -3.374 1.00 0.33 H new ATOM 0 HB2 ASN A 115 -10.578 3.886 -2.348 1.00 0.39 H new ATOM 0 HB3 ASN A 115 -10.187 4.385 -3.981 1.00 0.39 H new ATOM 0 HD21 ASN A 115 -13.914 4.297 -3.560 1.00 0.58 H new ATOM 0 HD22 ASN A 115 -12.567 5.136 -2.783 1.00 0.58 H new ATOM 1312 N GLY A 116 -8.425 1.165 -5.264 1.00 0.34 N ATOM 1313 CA GLY A 116 -7.813 0.867 -6.555 1.00 0.42 C ATOM 1314 C GLY A 116 -6.926 1.944 -7.204 1.00 0.50 C ATOM 1315 O GLY A 116 -6.714 1.869 -8.416 1.00 0.72 O ATOM 0 H GLY A 116 -8.017 0.626 -4.500 1.00 0.34 H new ATOM 0 HA2 GLY A 116 -7.211 -0.034 -6.438 1.00 0.42 H new ATOM 0 HA3 GLY A 116 -8.613 0.628 -7.256 1.00 0.42 H new ATOM 1319 N GLU A 117 -6.431 2.954 -6.479 1.00 0.61 N ATOM 1320 CA GLU A 117 -5.645 4.058 -7.049 1.00 0.72 C ATOM 1321 C GLU A 117 -4.407 4.410 -6.221 1.00 0.55 C ATOM 1322 O GLU A 117 -4.369 4.216 -5.005 1.00 0.42 O ATOM 1323 CB GLU A 117 -6.567 5.254 -7.287 1.00 0.90 C ATOM 1324 CG GLU A 117 -5.924 6.387 -8.062 1.00 1.18 C ATOM 1325 CD GLU A 117 -6.968 7.352 -8.638 1.00 1.64 C ATOM 1326 OE1 GLU A 117 -7.660 6.975 -9.619 1.00 2.65 O ATOM 1327 OE2 GLU A 117 -7.087 8.501 -8.143 1.00 1.61 O ATOM 0 H GLU A 117 -6.565 3.030 -5.471 1.00 0.61 H new ATOM 0 HA GLU A 117 -5.238 3.734 -8.007 1.00 0.72 H new ATOM 0 HB2 GLU A 117 -7.452 4.915 -7.826 1.00 0.90 H new ATOM 0 HB3 GLU A 117 -6.907 5.634 -6.324 1.00 0.90 H new ATOM 0 HG2 GLU A 117 -5.245 6.935 -7.408 1.00 1.18 H new ATOM 0 HG3 GLU A 117 -5.323 5.976 -8.873 1.00 1.18 H new ATOM 1334 N PHE A 118 -3.370 4.889 -6.912 1.00 0.61 N ATOM 1335 CA PHE A 118 -2.044 5.133 -6.357 1.00 0.57 C ATOM 1336 C PHE A 118 -1.934 6.463 -5.618 1.00 0.54 C ATOM 1337 O PHE A 118 -2.520 7.496 -5.958 1.00 0.65 O ATOM 1338 CB PHE A 118 -0.999 5.033 -7.470 1.00 0.69 C ATOM 1339 CG PHE A 118 0.452 4.753 -7.107 1.00 0.88 C ATOM 1340 CD1 PHE A 118 0.901 4.348 -5.828 1.00 2.24 C ATOM 1341 CD2 PHE A 118 1.383 4.886 -8.148 1.00 1.97 C ATOM 1342 CE1 PHE A 118 2.269 4.096 -5.609 1.00 2.42 C ATOM 1343 CE2 PHE A 118 2.751 4.653 -7.926 1.00 2.03 C ATOM 1344 CZ PHE A 118 3.194 4.258 -6.653 1.00 1.37 C ATOM 0 H PHE A 118 -3.436 5.124 -7.902 1.00 0.61 H new ATOM 0 HA PHE A 118 -1.858 4.364 -5.607 1.00 0.57 H new ATOM 0 HB2 PHE A 118 -1.323 4.248 -8.154 1.00 0.69 H new ATOM 0 HB3 PHE A 118 -1.022 5.970 -8.026 1.00 0.69 H new ATOM 0 HD1 PHE A 118 0.194 4.232 -5.019 1.00 2.24 H new ATOM 0 HD2 PHE A 118 1.044 5.171 -9.133 1.00 1.97 H new ATOM 0 HE1 PHE A 118 2.608 3.777 -4.634 1.00 2.42 H new ATOM 0 HE2 PHE A 118 3.459 4.777 -8.732 1.00 2.03 H new ATOM 0 HZ PHE A 118 4.245 4.079 -6.477 1.00 1.37 H new ATOM 1354 N VAL A 119 -1.208 6.348 -4.521 1.00 0.43 N ATOM 1355 CA VAL A 119 -1.546 6.923 -3.228 1.00 0.39 C ATOM 1356 C VAL A 119 -0.265 7.077 -2.423 1.00 0.49 C ATOM 1357 O VAL A 119 0.005 8.170 -1.933 1.00 0.67 O ATOM 1358 CB VAL A 119 -2.580 5.962 -2.612 1.00 0.58 C ATOM 1359 CG1 VAL A 119 -2.511 5.678 -1.131 1.00 0.79 C ATOM 1360 CG2 VAL A 119 -3.956 6.540 -2.909 1.00 1.44 C ATOM 0 H VAL A 119 -0.330 5.830 -4.504 1.00 0.43 H new ATOM 0 HA VAL A 119 -1.984 7.920 -3.272 1.00 0.39 H new ATOM 0 HB VAL A 119 -2.359 4.997 -3.068 1.00 0.58 H new ATOM 0 HG11 VAL A 119 -3.306 4.985 -0.856 1.00 0.79 H new ATOM 0 HG12 VAL A 119 -1.544 5.236 -0.890 1.00 0.79 H new ATOM 0 HG13 VAL A 119 -2.633 6.608 -0.576 1.00 0.79 H new ATOM 0 HG21 VAL A 119 -4.723 5.889 -2.489 1.00 1.44 H new ATOM 0 HG22 VAL A 119 -4.038 7.531 -2.463 1.00 1.44 H new ATOM 0 HG23 VAL A 119 -4.094 6.615 -3.988 1.00 1.44 H new ATOM 1370 N GLY A 120 0.609 6.063 -2.459 1.00 0.49 N ATOM 1371 CA GLY A 120 2.037 6.341 -2.436 1.00 0.60 C ATOM 1372 C GLY A 120 2.966 5.143 -2.232 1.00 0.42 C ATOM 1373 O GLY A 120 2.515 4.042 -1.903 1.00 0.41 O ATOM 0 H GLY A 120 0.357 5.076 -2.503 1.00 0.49 H new ATOM 0 HA2 GLY A 120 2.305 6.823 -3.376 1.00 0.60 H new ATOM 0 HA3 GLY A 120 2.231 7.061 -1.641 1.00 0.60 H new ATOM 1377 N GLY A 121 4.269 5.373 -2.422 1.00 0.48 N ATOM 1378 CA GLY A 121 5.345 4.492 -1.955 1.00 0.42 C ATOM 1379 C GLY A 121 5.820 4.833 -0.538 1.00 0.41 C ATOM 1380 O GLY A 121 5.450 5.873 0.011 1.00 0.44 O ATOM 0 H GLY A 121 4.613 6.196 -2.916 1.00 0.48 H new ATOM 0 HA2 GLY A 121 4.998 3.459 -1.978 1.00 0.42 H new ATOM 0 HA3 GLY A 121 6.188 4.561 -2.642 1.00 0.42 H new ATOM 1384 N CYS A 122 6.637 3.974 0.082 1.00 0.42 N ATOM 1385 CA CYS A 122 6.978 4.121 1.502 1.00 0.44 C ATOM 1386 C CYS A 122 7.829 5.346 1.903 1.00 0.59 C ATOM 1387 O CYS A 122 7.838 5.719 3.080 1.00 0.83 O ATOM 1388 CB CYS A 122 7.560 2.809 2.032 1.00 0.62 C ATOM 1389 SG CYS A 122 7.103 2.752 3.788 1.00 1.12 S ATOM 0 H CYS A 122 7.073 3.173 -0.375 1.00 0.42 H new ATOM 0 HA CYS A 122 6.030 4.344 1.992 1.00 0.44 H new ATOM 0 HB2 CYS A 122 7.154 1.953 1.493 1.00 0.62 H new ATOM 0 HB3 CYS A 122 8.642 2.781 1.907 1.00 0.62 H new ATOM 0 HG CYS A 122 7.177 3.947 4.295 1.00 1.12 H new ATOM 1395 N ASP A 123 8.531 5.992 0.972 1.00 0.57 N ATOM 1396 CA ASP A 123 9.160 7.307 1.227 1.00 0.64 C ATOM 1397 C ASP A 123 8.125 8.444 1.262 1.00 0.67 C ATOM 1398 O ASP A 123 8.208 9.341 2.102 1.00 0.86 O ATOM 1399 CB ASP A 123 10.257 7.603 0.191 1.00 0.73 C ATOM 1400 CG ASP A 123 11.097 8.824 0.586 1.00 1.04 C ATOM 1401 OD1 ASP A 123 11.719 8.797 1.675 1.00 2.16 O ATOM 1402 OD2 ASP A 123 11.154 9.808 -0.194 1.00 1.86 O ATOM 0 H ASP A 123 8.684 5.633 0.030 1.00 0.57 H new ATOM 0 HA ASP A 123 9.621 7.255 2.213 1.00 0.64 H new ATOM 0 HB2 ASP A 123 10.906 6.733 0.089 1.00 0.73 H new ATOM 0 HB3 ASP A 123 9.800 7.776 -0.783 1.00 0.73 H new ATOM 1407 N ILE A 124 7.112 8.375 0.393 1.00 0.56 N ATOM 1408 CA ILE A 124 6.033 9.372 0.270 1.00 0.57 C ATOM 1409 C ILE A 124 5.026 9.244 1.411 1.00 0.48 C ATOM 1410 O ILE A 124 4.620 10.236 2.016 1.00 0.48 O ATOM 1411 CB ILE A 124 5.336 9.232 -1.091 1.00 0.60 C ATOM 1412 CG1 ILE A 124 6.342 9.307 -2.252 1.00 0.69 C ATOM 1413 CG2 ILE A 124 4.250 10.309 -1.238 1.00 0.73 C ATOM 1414 CD1 ILE A 124 7.320 10.485 -2.259 1.00 1.55 C ATOM 0 H ILE A 124 7.013 7.603 -0.266 1.00 0.56 H new ATOM 0 HA ILE A 124 6.478 10.365 0.335 1.00 0.57 H new ATOM 0 HB ILE A 124 4.867 8.249 -1.133 1.00 0.60 H new ATOM 0 HG12 ILE A 124 6.924 8.385 -2.254 1.00 0.69 H new ATOM 0 HG13 ILE A 124 5.779 9.330 -3.185 1.00 0.69 H new ATOM 0 HG21 ILE A 124 3.761 10.202 -2.206 1.00 0.73 H new ATOM 0 HG22 ILE A 124 3.512 10.193 -0.444 1.00 0.73 H new ATOM 0 HG23 ILE A 124 4.705 11.297 -1.168 1.00 0.73 H new ATOM 0 HD11 ILE A 124 7.970 10.413 -3.131 1.00 1.55 H new ATOM 0 HD12 ILE A 124 6.762 11.421 -2.298 1.00 1.55 H new ATOM 0 HD13 ILE A 124 7.925 10.461 -1.353 1.00 1.55 H new ATOM 1426 N LEU A 125 4.671 8.007 1.756 1.00 0.39 N ATOM 1427 CA LEU A 125 3.776 7.677 2.865 1.00 0.32 C ATOM 1428 C LEU A 125 4.247 8.306 4.193 1.00 0.36 C ATOM 1429 O LEU A 125 3.421 8.766 4.981 1.00 0.36 O ATOM 1430 CB LEU A 125 3.714 6.138 2.958 1.00 0.30 C ATOM 1431 CG LEU A 125 2.587 5.593 3.851 1.00 0.45 C ATOM 1432 CD1 LEU A 125 1.217 5.751 3.191 1.00 0.58 C ATOM 1433 CD2 LEU A 125 2.794 4.100 4.105 1.00 0.51 C ATOM 0 H LEU A 125 5.008 7.183 1.258 1.00 0.39 H new ATOM 0 HA LEU A 125 2.784 8.089 2.681 1.00 0.32 H new ATOM 0 HB2 LEU A 125 3.592 5.732 1.954 1.00 0.30 H new ATOM 0 HB3 LEU A 125 4.668 5.772 3.337 1.00 0.30 H new ATOM 0 HG LEU A 125 2.617 6.163 4.780 1.00 0.45 H new ATOM 0 HD11 LEU A 125 0.447 5.354 3.852 1.00 0.58 H new ATOM 0 HD12 LEU A 125 1.024 6.807 3.001 1.00 0.58 H new ATOM 0 HD13 LEU A 125 1.202 5.204 2.248 1.00 0.58 H new ATOM 0 HD21 LEU A 125 1.991 3.724 4.738 1.00 0.51 H new ATOM 0 HD22 LEU A 125 2.788 3.565 3.155 1.00 0.51 H new ATOM 0 HD23 LEU A 125 3.751 3.945 4.603 1.00 0.51 H new ATOM 1445 N LEU A 126 5.569 8.403 4.396 1.00 0.44 N ATOM 1446 CA LEU A 126 6.194 9.017 5.579 1.00 0.55 C ATOM 1447 C LEU A 126 5.968 10.538 5.613 1.00 0.59 C ATOM 1448 O LEU A 126 5.863 11.129 6.679 1.00 0.76 O ATOM 1449 CB LEU A 126 7.706 8.681 5.588 1.00 0.64 C ATOM 1450 CG LEU A 126 8.383 8.404 6.947 1.00 0.72 C ATOM 1451 CD1 LEU A 126 8.303 9.567 7.933 1.00 0.70 C ATOM 1452 CD2 LEU A 126 7.811 7.167 7.638 1.00 0.85 C ATOM 0 H LEU A 126 6.251 8.048 3.726 1.00 0.44 H new ATOM 0 HA LEU A 126 5.727 8.607 6.475 1.00 0.55 H new ATOM 0 HB2 LEU A 126 7.856 7.805 4.956 1.00 0.64 H new ATOM 0 HB3 LEU A 126 8.234 9.509 5.116 1.00 0.64 H new ATOM 0 HG LEU A 126 9.429 8.245 6.684 1.00 0.72 H new ATOM 0 HD11 LEU A 126 8.802 9.291 8.862 1.00 0.70 H new ATOM 0 HD12 LEU A 126 8.792 10.442 7.504 1.00 0.70 H new ATOM 0 HD13 LEU A 126 7.258 9.799 8.138 1.00 0.70 H new ATOM 0 HD21 LEU A 126 8.320 7.014 8.590 1.00 0.85 H new ATOM 0 HD22 LEU A 126 6.745 7.309 7.815 1.00 0.85 H new ATOM 0 HD23 LEU A 126 7.960 6.294 7.003 1.00 0.85 H new ATOM 1464 N GLN A 127 5.826 11.184 4.456 1.00 0.53 N ATOM 1465 CA GLN A 127 5.505 12.607 4.358 1.00 0.55 C ATOM 1466 C GLN A 127 4.018 12.856 4.636 1.00 0.47 C ATOM 1467 O GLN A 127 3.648 13.684 5.476 1.00 0.49 O ATOM 1468 CB GLN A 127 5.859 13.109 2.949 1.00 0.63 C ATOM 1469 CG GLN A 127 7.198 12.614 2.384 1.00 0.74 C ATOM 1470 CD GLN A 127 8.355 12.702 3.367 1.00 0.84 C ATOM 1471 OE1 GLN A 127 8.532 13.673 4.092 1.00 1.04 O ATOM 1472 NE2 GLN A 127 9.160 11.670 3.469 1.00 0.81 N ATOM 0 H GLN A 127 5.932 10.728 3.550 1.00 0.53 H new ATOM 0 HA GLN A 127 6.086 13.148 5.105 1.00 0.55 H new ATOM 0 HB2 GLN A 127 5.064 12.809 2.266 1.00 0.63 H new ATOM 0 HB3 GLN A 127 5.872 14.199 2.964 1.00 0.63 H new ATOM 0 HG2 GLN A 127 7.085 11.578 2.064 1.00 0.74 H new ATOM 0 HG3 GLN A 127 7.444 13.197 1.496 1.00 0.74 H new ATOM 0 HE21 GLN A 127 9.023 10.855 2.871 1.00 0.81 H new ATOM 0 HE22 GLN A 127 9.922 11.683 4.146 1.00 0.81 H new ATOM 1481 N MET A 128 3.162 12.101 3.939 1.00 0.43 N ATOM 1482 CA MET A 128 1.715 12.281 3.916 1.00 0.40 C ATOM 1483 C MET A 128 1.024 11.898 5.226 1.00 0.36 C ATOM 1484 O MET A 128 -0.020 12.455 5.567 1.00 0.37 O ATOM 1485 CB MET A 128 1.162 11.409 2.798 1.00 0.40 C ATOM 1486 CG MET A 128 1.634 11.836 1.408 1.00 0.49 C ATOM 1487 SD MET A 128 0.839 10.915 0.074 1.00 0.56 S ATOM 1488 CE MET A 128 -0.815 11.601 0.261 1.00 0.58 C ATOM 0 H MET A 128 3.473 11.323 3.357 1.00 0.43 H new ATOM 0 HA MET A 128 1.517 13.342 3.762 1.00 0.40 H new ATOM 0 HB2 MET A 128 1.458 10.375 2.973 1.00 0.40 H new ATOM 0 HB3 MET A 128 0.073 11.438 2.829 1.00 0.40 H new ATOM 0 HG2 MET A 128 1.436 12.900 1.275 1.00 0.49 H new ATOM 0 HG3 MET A 128 2.714 11.702 1.341 1.00 0.49 H new ATOM 0 HE1 MET A 128 -1.503 10.813 0.567 1.00 0.58 H new ATOM 0 HE2 MET A 128 -0.800 12.385 1.019 1.00 0.58 H new ATOM 0 HE3 MET A 128 -1.144 12.021 -0.689 1.00 0.58 H new ATOM 1498 N HIS A 129 1.606 10.957 5.974 1.00 0.35 N ATOM 1499 CA HIS A 129 1.148 10.596 7.331 1.00 0.35 C ATOM 1500 C HIS A 129 1.041 11.825 8.225 1.00 0.44 C ATOM 1501 O HIS A 129 0.063 12.051 8.937 1.00 0.48 O ATOM 1502 CB HIS A 129 2.170 9.666 7.987 1.00 0.39 C ATOM 1503 CG HIS A 129 1.774 9.096 9.324 1.00 0.41 C ATOM 1504 ND1 HIS A 129 0.586 8.518 9.703 1.00 0.38 N ATOM 1505 CD2 HIS A 129 2.592 9.050 10.410 1.00 0.51 C ATOM 1506 CE1 HIS A 129 0.722 8.080 10.965 1.00 0.46 C ATOM 1507 NE2 HIS A 129 1.931 8.399 11.455 1.00 0.54 N ATOM 0 H HIS A 129 2.413 10.418 5.660 1.00 0.35 H new ATOM 0 HA HIS A 129 0.173 10.120 7.227 1.00 0.35 H new ATOM 0 HB2 HIS A 129 2.371 8.839 7.306 1.00 0.39 H new ATOM 0 HB3 HIS A 129 3.105 10.213 8.109 1.00 0.39 H new ATOM 0 HD2 HIS A 129 3.593 9.453 10.457 1.00 0.51 H new ATOM 0 HE1 HIS A 129 -0.039 7.543 11.512 1.00 0.46 H new ATOM 0 HE2 HIS A 129 2.290 8.207 12.390 1.00 0.54 H new ATOM 1515 N GLN A 130 2.129 12.583 8.188 1.00 0.51 N ATOM 1516 CA GLN A 130 2.522 13.502 9.236 1.00 0.63 C ATOM 1517 C GLN A 130 1.985 14.915 8.944 1.00 0.67 C ATOM 1518 O GLN A 130 1.634 15.655 9.865 1.00 0.86 O ATOM 1519 CB GLN A 130 4.042 13.369 9.386 1.00 0.73 C ATOM 1520 CG GLN A 130 4.460 11.914 9.568 1.00 0.72 C ATOM 1521 CD GLN A 130 5.734 11.685 10.363 1.00 0.85 C ATOM 1522 OE1 GLN A 130 5.705 11.118 11.451 1.00 1.06 O ATOM 1523 NE2 GLN A 130 6.873 12.069 9.837 1.00 0.92 N ATOM 0 H GLN A 130 2.779 12.571 7.402 1.00 0.51 H new ATOM 0 HA GLN A 130 2.081 13.269 10.205 1.00 0.63 H new ATOM 0 HB2 GLN A 130 4.533 13.782 8.505 1.00 0.73 H new ATOM 0 HB3 GLN A 130 4.377 13.955 10.242 1.00 0.73 H new ATOM 0 HG2 GLN A 130 3.647 11.381 10.060 1.00 0.72 H new ATOM 0 HG3 GLN A 130 4.584 11.466 8.582 1.00 0.72 H new ATOM 0 HE21 GLN A 130 6.884 12.539 8.932 1.00 0.92 H new ATOM 0 HE22 GLN A 130 7.748 11.897 10.333 1.00 0.92 H new ATOM 1532 N ASN A 131 1.786 15.232 7.657 1.00 0.57 N ATOM 1533 CA ASN A 131 0.951 16.341 7.189 1.00 0.60 C ATOM 1534 C ASN A 131 -0.563 16.003 7.264 1.00 0.58 C ATOM 1535 O ASN A 131 -1.365 16.888 7.573 1.00 0.71 O ATOM 1536 CB ASN A 131 1.461 16.773 5.798 1.00 0.69 C ATOM 1537 CG ASN A 131 0.444 16.464 4.732 1.00 1.02 C ATOM 1538 OD1 ASN A 131 0.260 15.326 4.342 1.00 2.82 O ATOM 1539 ND2 ASN A 131 -0.359 17.430 4.383 1.00 1.05 N ATOM 0 H ASN A 131 2.214 14.708 6.894 1.00 0.57 H new ATOM 0 HA ASN A 131 1.043 17.202 7.851 1.00 0.60 H new ATOM 0 HB2 ASN A 131 1.677 17.841 5.801 1.00 0.69 H new ATOM 0 HB3 ASN A 131 2.396 16.260 5.574 1.00 0.69 H new ATOM 0 HD21 ASN A 131 -1.155 17.237 3.775 1.00 1.05 H new ATOM 0 HD22 ASN A 131 -0.191 18.379 4.718 1.00 1.05 H new ATOM 1546 N GLY A 132 -0.957 14.736 7.057 1.00 0.51 N ATOM 1547 CA GLY A 132 -2.337 14.258 7.192 1.00 0.53 C ATOM 1548 C GLY A 132 -3.109 14.179 5.872 1.00 0.55 C ATOM 1549 O GLY A 132 -4.335 14.088 5.871 1.00 0.62 O ATOM 0 H GLY A 132 -0.306 14.000 6.784 1.00 0.51 H new ATOM 0 HA2 GLY A 132 -2.323 13.269 7.651 1.00 0.53 H new ATOM 0 HA3 GLY A 132 -2.873 14.919 7.874 1.00 0.53 H new ATOM 1553 N ASP A 133 -2.434 14.166 4.723 1.00 0.55 N ATOM 1554 CA ASP A 133 -3.071 13.927 3.421 1.00 0.56 C ATOM 1555 C ASP A 133 -3.529 12.468 3.251 1.00 0.52 C ATOM 1556 O ASP A 133 -4.294 12.185 2.328 1.00 0.61 O ATOM 1557 CB ASP A 133 -2.153 14.379 2.272 1.00 0.64 C ATOM 1558 CG ASP A 133 -2.312 15.865 1.916 1.00 0.80 C ATOM 1559 OD1 ASP A 133 -2.591 16.698 2.814 1.00 1.76 O ATOM 1560 OD2 ASP A 133 -2.202 16.189 0.710 1.00 1.84 O ATOM 0 H ASP A 133 -1.428 14.321 4.665 1.00 0.55 H new ATOM 0 HA ASP A 133 -3.976 14.534 3.385 1.00 0.56 H new ATOM 0 HB2 ASP A 133 -1.116 14.188 2.548 1.00 0.64 H new ATOM 0 HB3 ASP A 133 -2.364 13.776 1.389 1.00 0.64 H new ATOM 1565 N LEU A 134 -3.137 11.543 4.148 1.00 0.42 N ATOM 1566 CA LEU A 134 -3.657 10.170 4.123 1.00 0.39 C ATOM 1567 C LEU A 134 -5.076 10.115 4.688 1.00 0.42 C ATOM 1568 O LEU A 134 -5.869 9.238 4.369 1.00 0.44 O ATOM 1569 CB LEU A 134 -2.762 9.219 4.941 1.00 0.34 C ATOM 1570 CG LEU A 134 -1.297 9.141 4.493 1.00 0.33 C ATOM 1571 CD1 LEU A 134 -0.553 8.082 5.303 1.00 0.32 C ATOM 1572 CD2 LEU A 134 -1.156 8.812 3.012 1.00 0.38 C ATOM 0 H LEU A 134 -2.465 11.724 4.894 1.00 0.42 H new ATOM 0 HA LEU A 134 -3.664 9.850 3.081 1.00 0.39 H new ATOM 0 HB2 LEU A 134 -2.788 9.532 5.985 1.00 0.34 H new ATOM 0 HB3 LEU A 134 -3.191 8.218 4.897 1.00 0.34 H new ATOM 0 HG LEU A 134 -0.866 10.127 4.665 1.00 0.33 H new ATOM 0 HD11 LEU A 134 0.486 8.037 4.975 1.00 0.32 H new ATOM 0 HD12 LEU A 134 -0.589 8.342 6.361 1.00 0.32 H new ATOM 0 HD13 LEU A 134 -1.024 7.111 5.152 1.00 0.32 H new ATOM 0 HD21 LEU A 134 -0.099 8.769 2.748 1.00 0.38 H new ATOM 0 HD22 LEU A 134 -1.621 7.847 2.808 1.00 0.38 H new ATOM 0 HD23 LEU A 134 -1.647 9.584 2.419 1.00 0.38 H new ATOM 1584 N VAL A 135 -5.390 11.075 5.549 1.00 0.46 N ATOM 1585 CA VAL A 135 -6.599 11.124 6.361 1.00 0.51 C ATOM 1586 C VAL A 135 -7.776 11.583 5.510 1.00 0.59 C ATOM 1587 O VAL A 135 -8.835 10.966 5.520 1.00 0.71 O ATOM 1588 CB VAL A 135 -6.344 12.059 7.543 1.00 0.50 C ATOM 1589 CG1 VAL A 135 -7.344 11.746 8.625 1.00 0.57 C ATOM 1590 CG2 VAL A 135 -5.023 11.703 8.218 1.00 0.46 C ATOM 0 H VAL A 135 -4.780 11.877 5.707 1.00 0.46 H new ATOM 0 HA VAL A 135 -6.850 10.136 6.746 1.00 0.51 H new ATOM 0 HB VAL A 135 -6.378 13.081 7.167 1.00 0.50 H new ATOM 0 HG11 VAL A 135 -7.176 12.405 9.477 1.00 0.57 H new ATOM 0 HG12 VAL A 135 -8.353 11.897 8.242 1.00 0.57 H new ATOM 0 HG13 VAL A 135 -7.227 10.709 8.940 1.00 0.57 H new ATOM 0 HG21 VAL A 135 -4.851 12.375 9.059 1.00 0.46 H new ATOM 0 HG22 VAL A 135 -5.064 10.675 8.578 1.00 0.46 H new ATOM 0 HG23 VAL A 135 -4.209 11.804 7.500 1.00 0.46 H new ATOM 1600 N GLU A 136 -7.551 12.589 4.662 1.00 0.58 N ATOM 1601 CA GLU A 136 -8.502 13.017 3.631 1.00 0.65 C ATOM 1602 C GLU A 136 -8.722 11.913 2.581 1.00 0.67 C ATOM 1603 O GLU A 136 -9.816 11.772 2.037 1.00 0.89 O ATOM 1604 CB GLU A 136 -7.967 14.276 2.923 1.00 0.73 C ATOM 1605 CG GLU A 136 -7.414 15.379 3.837 1.00 1.13 C ATOM 1606 CD GLU A 136 -8.451 15.941 4.813 1.00 1.51 C ATOM 1607 OE1 GLU A 136 -9.504 16.450 4.365 1.00 2.24 O ATOM 1608 OE2 GLU A 136 -8.215 15.917 6.047 1.00 2.43 O ATOM 0 H GLU A 136 -6.691 13.138 4.671 1.00 0.58 H new ATOM 0 HA GLU A 136 -9.453 13.231 4.120 1.00 0.65 H new ATOM 0 HB2 GLU A 136 -7.179 13.974 2.234 1.00 0.73 H new ATOM 0 HB3 GLU A 136 -8.771 14.700 2.321 1.00 0.73 H new ATOM 0 HG2 GLU A 136 -6.572 14.982 4.403 1.00 1.13 H new ATOM 0 HG3 GLU A 136 -7.029 16.191 3.221 1.00 1.13 H new ATOM 1615 N GLU A 137 -7.692 11.102 2.322 1.00 0.54 N ATOM 1616 CA GLU A 137 -7.718 9.972 1.385 1.00 0.65 C ATOM 1617 C GLU A 137 -8.491 8.755 1.934 1.00 0.70 C ATOM 1618 O GLU A 137 -9.158 8.056 1.166 1.00 0.93 O ATOM 1619 CB GLU A 137 -6.258 9.613 1.039 1.00 0.69 C ATOM 1620 CG GLU A 137 -6.062 8.920 -0.310 1.00 0.88 C ATOM 1621 CD GLU A 137 -6.483 9.816 -1.478 1.00 0.77 C ATOM 1622 OE1 GLU A 137 -5.821 10.845 -1.753 1.00 1.65 O ATOM 1623 OE2 GLU A 137 -7.500 9.488 -2.136 1.00 1.38 O ATOM 0 H GLU A 137 -6.785 11.217 2.774 1.00 0.54 H new ATOM 0 HA GLU A 137 -8.259 10.266 0.486 1.00 0.65 H new ATOM 0 HB2 GLU A 137 -5.663 10.526 1.050 1.00 0.69 H new ATOM 0 HB3 GLU A 137 -5.864 8.966 1.823 1.00 0.69 H new ATOM 0 HG2 GLU A 137 -5.015 8.640 -0.426 1.00 0.88 H new ATOM 0 HG3 GLU A 137 -6.643 7.998 -0.332 1.00 0.88 H new ATOM 1630 N LEU A 138 -8.452 8.544 3.257 1.00 0.60 N ATOM 1631 CA LEU A 138 -9.239 7.561 4.015 1.00 0.62 C ATOM 1632 C LEU A 138 -10.706 7.992 4.172 1.00 0.63 C ATOM 1633 O LEU A 138 -11.608 7.154 4.080 1.00 0.60 O ATOM 1634 CB LEU A 138 -8.595 7.373 5.406 1.00 0.58 C ATOM 1635 CG LEU A 138 -7.318 6.509 5.433 1.00 0.54 C ATOM 1636 CD1 LEU A 138 -6.602 6.679 6.775 1.00 0.56 C ATOM 1637 CD2 LEU A 138 -7.630 5.022 5.259 1.00 0.51 C ATOM 0 H LEU A 138 -7.835 9.086 3.862 1.00 0.60 H new ATOM 0 HA LEU A 138 -9.237 6.622 3.462 1.00 0.62 H new ATOM 0 HB2 LEU A 138 -8.357 8.356 5.813 1.00 0.58 H new ATOM 0 HB3 LEU A 138 -9.332 6.923 6.071 1.00 0.58 H new ATOM 0 HG LEU A 138 -6.692 6.843 4.606 1.00 0.54 H new ATOM 0 HD11 LEU A 138 -5.701 6.066 6.787 1.00 0.56 H new ATOM 0 HD12 LEU A 138 -6.330 7.726 6.913 1.00 0.56 H new ATOM 0 HD13 LEU A 138 -7.264 6.367 7.583 1.00 0.56 H new ATOM 0 HD21 LEU A 138 -6.702 4.450 5.284 1.00 0.51 H new ATOM 0 HD22 LEU A 138 -8.283 4.690 6.066 1.00 0.51 H new ATOM 0 HD23 LEU A 138 -8.128 4.864 4.302 1.00 0.51 H new ATOM 1649 N LYS A 139 -10.978 9.293 4.357 1.00 0.66 N ATOM 1650 CA LYS A 139 -12.345 9.824 4.514 1.00 0.65 C ATOM 1651 C LYS A 139 -13.226 9.627 3.269 1.00 0.67 C ATOM 1652 O LYS A 139 -14.435 9.464 3.430 1.00 0.68 O ATOM 1653 CB LYS A 139 -12.289 11.286 5.005 1.00 0.73 C ATOM 1654 CG LYS A 139 -11.922 11.324 6.502 1.00 0.71 C ATOM 1655 CD LYS A 139 -11.709 12.739 7.054 1.00 0.60 C ATOM 1656 CE LYS A 139 -11.158 12.677 8.489 1.00 0.78 C ATOM 1657 NZ LYS A 139 -11.185 14.011 9.129 1.00 1.13 N ATOM 0 H LYS A 139 -10.255 10.011 4.402 1.00 0.66 H new ATOM 0 HA LYS A 139 -12.846 9.234 5.282 1.00 0.65 H new ATOM 0 HB2 LYS A 139 -11.553 11.845 4.427 1.00 0.73 H new ATOM 0 HB3 LYS A 139 -13.253 11.769 4.846 1.00 0.73 H new ATOM 0 HG2 LYS A 139 -12.713 10.837 7.072 1.00 0.71 H new ATOM 0 HG3 LYS A 139 -11.013 10.743 6.658 1.00 0.71 H new ATOM 0 HD2 LYS A 139 -11.016 13.285 6.415 1.00 0.60 H new ATOM 0 HD3 LYS A 139 -12.652 13.286 7.043 1.00 0.60 H new ATOM 0 HE2 LYS A 139 -11.749 11.976 9.078 1.00 0.78 H new ATOM 0 HE3 LYS A 139 -10.136 12.299 8.473 1.00 0.78 H new ATOM 0 HZ1 LYS A 139 -10.808 13.940 10.096 1.00 1.13 H new ATOM 0 HZ2 LYS A 139 -10.602 14.672 8.578 1.00 1.13 H new ATOM 0 HZ3 LYS A 139 -12.164 14.359 9.164 1.00 1.13 H new ATOM 1671 N LYS A 140 -12.659 9.476 2.063 1.00 0.74 N ATOM 1672 CA LYS A 140 -13.378 9.034 0.847 1.00 0.81 C ATOM 1673 C LYS A 140 -14.014 7.641 0.984 1.00 0.74 C ATOM 1674 O LYS A 140 -15.052 7.380 0.373 1.00 0.86 O ATOM 1675 CB LYS A 140 -12.408 9.038 -0.346 1.00 1.07 C ATOM 1676 CG LYS A 140 -11.836 10.433 -0.633 1.00 1.21 C ATOM 1677 CD LYS A 140 -10.729 10.391 -1.685 1.00 1.49 C ATOM 1678 CE LYS A 140 -10.027 11.746 -1.752 1.00 1.48 C ATOM 1679 NZ LYS A 140 -9.008 11.774 -2.831 1.00 1.75 N ATOM 0 H LYS A 140 -11.670 9.660 1.897 1.00 0.74 H new ATOM 0 HA LYS A 140 -14.196 9.738 0.690 1.00 0.81 H new ATOM 0 HB2 LYS A 140 -11.589 8.347 -0.147 1.00 1.07 H new ATOM 0 HB3 LYS A 140 -12.926 8.672 -1.232 1.00 1.07 H new ATOM 0 HG2 LYS A 140 -12.636 11.090 -0.974 1.00 1.21 H new ATOM 0 HG3 LYS A 140 -11.444 10.861 0.289 1.00 1.21 H new ATOM 0 HD2 LYS A 140 -10.010 9.610 -1.438 1.00 1.49 H new ATOM 0 HD3 LYS A 140 -11.150 10.140 -2.659 1.00 1.49 H new ATOM 0 HE2 LYS A 140 -10.763 12.531 -1.924 1.00 1.48 H new ATOM 0 HE3 LYS A 140 -9.552 11.959 -0.795 1.00 1.48 H new ATOM 0 HZ1 LYS A 140 -8.468 12.661 -2.776 1.00 1.75 H new ATOM 0 HZ2 LYS A 140 -8.361 10.967 -2.719 1.00 1.75 H new ATOM 0 HZ3 LYS A 140 -9.480 11.713 -3.756 1.00 1.75 H new ATOM 1693 N LEU A 141 -13.431 6.761 1.807 1.00 0.67 N ATOM 1694 CA LEU A 141 -13.937 5.428 2.113 1.00 0.70 C ATOM 1695 C LEU A 141 -14.832 5.408 3.374 1.00 0.66 C ATOM 1696 O LEU A 141 -15.419 4.378 3.716 1.00 0.83 O ATOM 1697 CB LEU A 141 -12.733 4.486 2.279 1.00 0.71 C ATOM 1698 CG LEU A 141 -11.984 4.011 1.019 1.00 0.64 C ATOM 1699 CD1 LEU A 141 -12.881 3.271 0.027 1.00 1.31 C ATOM 1700 CD2 LEU A 141 -11.283 5.159 0.302 1.00 1.23 C ATOM 0 H LEU A 141 -12.560 6.971 2.294 1.00 0.67 H new ATOM 0 HA LEU A 141 -14.572 5.096 1.291 1.00 0.70 H new ATOM 0 HB2 LEU A 141 -12.010 4.985 2.925 1.00 0.71 H new ATOM 0 HB3 LEU A 141 -13.078 3.600 2.812 1.00 0.71 H new ATOM 0 HG LEU A 141 -11.237 3.308 1.387 1.00 0.64 H new ATOM 0 HD11 LEU A 141 -12.292 2.964 -0.837 1.00 1.31 H new ATOM 0 HD12 LEU A 141 -13.306 2.390 0.508 1.00 1.31 H new ATOM 0 HD13 LEU A 141 -13.685 3.931 -0.298 1.00 1.31 H new ATOM 0 HD21 LEU A 141 -10.768 4.777 -0.580 1.00 1.23 H new ATOM 0 HD22 LEU A 141 -12.020 5.903 -0.002 1.00 1.23 H new ATOM 0 HD23 LEU A 141 -10.559 5.619 0.974 1.00 1.23 H new ATOM 1712 N GLY A 142 -14.899 6.525 4.107 1.00 0.56 N ATOM 1713 CA GLY A 142 -15.529 6.633 5.427 1.00 0.64 C ATOM 1714 C GLY A 142 -14.678 6.122 6.599 1.00 0.63 C ATOM 1715 O GLY A 142 -15.167 6.122 7.734 1.00 0.88 O ATOM 0 H GLY A 142 -14.503 7.408 3.786 1.00 0.56 H new ATOM 0 HA2 GLY A 142 -15.779 7.678 5.609 1.00 0.64 H new ATOM 0 HA3 GLY A 142 -16.467 6.079 5.411 1.00 0.64 H new ATOM 1719 N ILE A 143 -13.426 5.699 6.371 1.00 0.45 N ATOM 1720 CA ILE A 143 -12.591 5.111 7.432 1.00 0.42 C ATOM 1721 C ILE A 143 -12.183 6.170 8.458 1.00 0.42 C ATOM 1722 O ILE A 143 -11.664 7.235 8.115 1.00 0.48 O ATOM 1723 CB ILE A 143 -11.339 4.360 6.907 1.00 0.45 C ATOM 1724 CG1 ILE A 143 -11.679 3.224 5.915 1.00 0.50 C ATOM 1725 CG2 ILE A 143 -10.581 3.795 8.131 1.00 0.49 C ATOM 1726 CD1 ILE A 143 -10.478 2.677 5.119 1.00 0.56 C ATOM 0 H ILE A 143 -12.968 5.753 5.461 1.00 0.45 H new ATOM 0 HA ILE A 143 -13.218 4.360 7.912 1.00 0.42 H new ATOM 0 HB ILE A 143 -10.724 5.066 6.348 1.00 0.45 H new ATOM 0 HG12 ILE A 143 -12.134 2.402 6.468 1.00 0.50 H new ATOM 0 HG13 ILE A 143 -12.428 3.588 5.211 1.00 0.50 H new ATOM 0 HG21 ILE A 143 -9.693 3.260 7.794 1.00 0.49 H new ATOM 0 HG22 ILE A 143 -10.284 4.615 8.785 1.00 0.49 H new ATOM 0 HG23 ILE A 143 -11.231 3.112 8.678 1.00 0.49 H new ATOM 0 HD11 ILE A 143 -10.815 1.885 4.451 1.00 0.56 H new ATOM 0 HD12 ILE A 143 -10.033 3.481 4.533 1.00 0.56 H new ATOM 0 HD13 ILE A 143 -9.735 2.278 5.810 1.00 0.56 H new ATOM 1738 N HIS A 144 -12.349 5.825 9.732 1.00 0.44 N ATOM 1739 CA HIS A 144 -11.781 6.529 10.872 1.00 0.47 C ATOM 1740 C HIS A 144 -10.266 6.323 10.948 1.00 0.41 C ATOM 1741 O HIS A 144 -9.802 5.262 11.374 1.00 0.53 O ATOM 1742 CB HIS A 144 -12.472 5.990 12.125 1.00 0.73 C ATOM 1743 CG HIS A 144 -12.127 6.712 13.410 1.00 1.14 C ATOM 1744 ND1 HIS A 144 -12.651 7.902 13.870 1.00 1.51 N ATOM 1745 CD2 HIS A 144 -11.258 6.267 14.372 1.00 1.44 C ATOM 1746 CE1 HIS A 144 -12.111 8.158 15.075 1.00 1.86 C ATOM 1747 NE2 HIS A 144 -11.243 7.193 15.427 1.00 1.85 N ATOM 0 H HIS A 144 -12.905 5.015 10.006 1.00 0.44 H new ATOM 0 HA HIS A 144 -11.944 7.603 10.777 1.00 0.47 H new ATOM 0 HB2 HIS A 144 -13.551 6.041 11.976 1.00 0.73 H new ATOM 0 HB3 HIS A 144 -12.215 4.937 12.238 1.00 0.73 H new ATOM 0 HD2 HIS A 144 -10.681 5.355 14.326 1.00 1.44 H new ATOM 0 HE1 HIS A 144 -12.343 9.023 15.679 1.00 1.86 H new ATOM 0 HE2 HIS A 144 -10.689 7.144 16.282 1.00 1.85 H new ATOM 1755 N SER A 145 -9.485 7.346 10.592 1.00 0.38 N ATOM 1756 CA SER A 145 -8.133 7.472 11.118 1.00 0.47 C ATOM 1757 C SER A 145 -8.206 7.584 12.640 1.00 0.55 C ATOM 1758 O SER A 145 -8.739 8.540 13.168 1.00 0.72 O ATOM 1759 CB SER A 145 -7.477 8.707 10.484 1.00 0.54 C ATOM 1760 OG SER A 145 -6.407 9.178 11.276 1.00 0.64 O ATOM 0 H SER A 145 -9.765 8.088 9.950 1.00 0.38 H new ATOM 0 HA SER A 145 -7.527 6.599 10.873 1.00 0.47 H new ATOM 0 HB2 SER A 145 -7.113 8.458 9.487 1.00 0.54 H new ATOM 0 HB3 SER A 145 -8.220 9.496 10.364 1.00 0.54 H new ATOM 0 HG SER A 145 -5.642 8.572 11.186 1.00 0.64 H new ATOM 1766 N ALA A 146 -7.657 6.632 13.378 1.00 0.50 N ATOM 1767 CA ALA A 146 -7.657 6.634 14.843 1.00 0.60 C ATOM 1768 C ALA A 146 -7.113 7.947 15.459 1.00 0.77 C ATOM 1769 O ALA A 146 -7.547 8.349 16.541 1.00 1.15 O ATOM 1770 CB ALA A 146 -6.875 5.402 15.301 1.00 0.68 C ATOM 0 H ALA A 146 -7.190 5.820 12.975 1.00 0.50 H new ATOM 0 HA ALA A 146 -8.684 6.585 15.204 1.00 0.60 H new ATOM 0 HB1 ALA A 146 -6.853 5.369 16.390 1.00 0.68 H new ATOM 0 HB2 ALA A 146 -7.358 4.502 14.920 1.00 0.68 H new ATOM 0 HB3 ALA A 146 -5.855 5.455 14.919 1.00 0.68 H new ATOM 1776 N LEU A 147 -6.248 8.665 14.729 1.00 0.62 N ATOM 1777 CA LEU A 147 -5.674 9.963 15.054 1.00 0.76 C ATOM 1778 C LEU A 147 -6.699 11.120 15.077 1.00 0.83 C ATOM 1779 O LEU A 147 -6.376 12.207 15.572 1.00 0.98 O ATOM 1780 CB LEU A 147 -4.561 10.210 14.022 1.00 0.75 C ATOM 1781 CG LEU A 147 -3.550 9.076 13.773 1.00 0.74 C ATOM 1782 CD1 LEU A 147 -2.366 9.605 12.968 1.00 0.80 C ATOM 1783 CD2 LEU A 147 -3.021 8.493 15.076 1.00 0.81 C ATOM 0 H LEU A 147 -5.911 8.321 13.830 1.00 0.62 H new ATOM 0 HA LEU A 147 -5.288 9.943 16.073 1.00 0.76 H new ATOM 0 HB2 LEU A 147 -5.034 10.452 13.070 1.00 0.75 H new ATOM 0 HB3 LEU A 147 -4.004 11.093 14.335 1.00 0.75 H new ATOM 0 HG LEU A 147 -4.072 8.292 13.224 1.00 0.74 H new ATOM 0 HD11 LEU A 147 -1.654 8.798 12.795 1.00 0.80 H new ATOM 0 HD12 LEU A 147 -2.719 9.989 12.011 1.00 0.80 H new ATOM 0 HD13 LEU A 147 -1.878 10.407 13.523 1.00 0.80 H new ATOM 0 HD21 LEU A 147 -2.311 7.696 14.856 1.00 0.81 H new ATOM 0 HD22 LEU A 147 -2.523 9.275 15.649 1.00 0.81 H new ATOM 0 HD23 LEU A 147 -3.850 8.090 15.657 1.00 0.81 H new ATOM 1795 N LEU A 148 -7.926 10.888 14.591 1.00 0.77 N ATOM 1796 CA LEU A 148 -9.077 11.786 14.688 1.00 0.82 C ATOM 1797 C LEU A 148 -9.405 12.148 16.148 1.00 0.94 C ATOM 1798 O LEU A 148 -9.685 13.304 16.473 1.00 1.18 O ATOM 1799 CB LEU A 148 -10.317 11.123 14.051 1.00 0.77 C ATOM 1800 CG LEU A 148 -10.591 11.582 12.603 1.00 0.99 C ATOM 1801 CD1 LEU A 148 -9.931 10.690 11.604 1.00 1.96 C ATOM 1802 CD2 LEU A 148 -12.079 11.669 12.279 1.00 2.37 C ATOM 0 H LEU A 148 -8.150 10.025 14.096 1.00 0.77 H new ATOM 0 HA LEU A 148 -8.817 12.701 14.156 1.00 0.82 H new ATOM 0 HB2 LEU A 148 -10.185 10.041 14.061 1.00 0.77 H new ATOM 0 HB3 LEU A 148 -11.191 11.343 14.664 1.00 0.77 H new ATOM 0 HG LEU A 148 -10.166 12.583 12.535 1.00 0.99 H new ATOM 0 HD11 LEU A 148 -10.148 11.047 10.597 1.00 1.96 H new ATOM 0 HD12 LEU A 148 -8.853 10.696 11.766 1.00 1.96 H new ATOM 0 HD13 LEU A 148 -10.309 9.674 11.718 1.00 1.96 H new ATOM 0 HD21 LEU A 148 -12.208 11.997 11.247 1.00 2.37 H new ATOM 0 HD22 LEU A 148 -12.537 10.689 12.408 1.00 2.37 H new ATOM 0 HD23 LEU A 148 -12.556 12.384 12.949 1.00 2.37 H new ATOM 1814 N ASP A 149 -9.366 11.146 17.031 1.00 1.07 N ATOM 1815 CA ASP A 149 -9.847 11.212 18.421 1.00 1.50 C ATOM 1816 C ASP A 149 -8.710 11.185 19.456 1.00 1.61 C ATOM 1817 O ASP A 149 -8.897 10.840 20.623 1.00 1.98 O ATOM 1818 CB ASP A 149 -10.908 10.119 18.621 1.00 1.95 C ATOM 1819 CG ASP A 149 -11.745 10.252 19.896 1.00 2.49 C ATOM 1820 OD1 ASP A 149 -12.123 11.388 20.277 1.00 2.61 O ATOM 1821 OD2 ASP A 149 -12.104 9.198 20.478 1.00 3.49 O ATOM 0 H ASP A 149 -8.985 10.231 16.792 1.00 1.07 H new ATOM 0 HA ASP A 149 -10.317 12.180 18.597 1.00 1.50 H new ATOM 0 HB2 ASP A 149 -11.579 10.124 17.762 1.00 1.95 H new ATOM 0 HB3 ASP A 149 -10.411 9.149 18.631 1.00 1.95 H new ATOM 1826 N GLU A 150 -7.513 11.566 19.010 1.00 1.48 N ATOM 1827 CA GLU A 150 -6.333 11.844 19.827 1.00 1.85 C ATOM 1828 C GLU A 150 -6.350 13.291 20.324 1.00 2.16 C ATOM 1829 O GLU A 150 -6.341 13.496 21.558 1.00 3.00 O ATOM 1830 CB GLU A 150 -5.080 11.480 19.012 1.00 2.08 C ATOM 1831 CG GLU A 150 -3.822 11.703 19.849 1.00 2.63 C ATOM 1832 CD GLU A 150 -2.548 11.176 19.172 1.00 3.04 C ATOM 1833 OE1 GLU A 150 -1.902 11.925 18.394 1.00 3.98 O ATOM 1834 OE2 GLU A 150 -2.171 10.002 19.418 1.00 3.59 O ATOM 0 H GLU A 150 -7.331 11.696 18.015 1.00 1.48 H new ATOM 0 HA GLU A 150 -6.329 11.231 20.729 1.00 1.85 H new ATOM 0 HB2 GLU A 150 -5.134 10.439 18.694 1.00 2.08 H new ATOM 0 HB3 GLU A 150 -5.036 12.087 18.108 1.00 2.08 H new ATOM 0 HG2 GLU A 150 -3.708 12.769 20.046 1.00 2.63 H new ATOM 0 HG3 GLU A 150 -3.943 11.212 20.815 1.00 2.63 H new TER 1841 GLU A 150