USER MOD reduce.3.24.130724 H: found=0, std=0, add=1149, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1150 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: B 119 LYS NZ :NH3+ -127:sc= 1.2 (180deg=-0.12) USER MOD Set 1.2: B 121 GLN : amide:sc= -0.0909 X(o=1.1,f=1) USER MOD Set 2.1: B 59 TYR OH : rot 30:sc= 0.968 USER MOD Set 2.2: B 99 LYS NZ :NH3+ 162:sc= 2.25 (180deg=0) USER MOD Set 2.3: B 100 ASN : amide:sc= 0.203 K(o=3.4,f=-6.2!) USER MOD Set 3.1: B 85 THR OG1 : rot -71:sc= 0.641 USER MOD Set 3.2: B 86 SER OG : rot 180:sc= 0 USER MOD Set 4.1: B 69 SER OG : rot 180:sc= 1.03 USER MOD Set 4.2: B 80 LYS NZ :NH3+ -160:sc= 1.27 (180deg=0) USER MOD Single : A 1 MET CE :methyl -128:sc= 0 (180deg=-0.0552) USER MOD Single : A 1 MET N :NH3+ 146:sc= 1.15 (180deg=0.356) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ -156:sc= 1.26 (180deg=0.993) USER MOD Single : A 7 THR OG1 : rot 81:sc= 0.976 USER MOD Single : A 9 THR OG1 : rot 80:sc= 1.37 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.143 USER MOD Single : A 22 THR OG1 : rot 91:sc= 1.45 USER MOD Single : A 25 ASN : amide:sc= 1.12 K(o=1.1,f=-1.4!) USER MOD Single : A 27 LYS NZ :NH3+ 152:sc= 1.51 (180deg=1.16) USER MOD Single : A 29 LYS NZ :NH3+ 169:sc= 0.69 (180deg=0.416) USER MOD Single : A 31 GLN : amide:sc= -0.556 K(o=-0.56,f=-2.6!) USER MOD Single : A 33 LYS NZ :NH3+ -119:sc= 0.327 (180deg=-0.259) USER MOD Single : A 40 GLN : amide:sc= -0.433 X(o=-0.43,f=-0.13) USER MOD Single : A 41 GLN : amide:sc= -0.78 K(o=-0.78,f=-3.1!) USER MOD Single : A 48 LYS NZ :NH3+ -167:sc= -0.0403 (180deg=-0.243) USER MOD Single : A 49 GLN : amide:sc= 0.882 K(o=0.88,f=-5.2!) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0.0965 USER MOD Single : A 59 TYR OH : rot 30:sc= 0.264 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0.18) USER MOD Single : A 62 GLN : amide:sc= -0.532 K(o=-0.53,f=-8.6!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -122:sc= 1.27 USER MOD Single : A 66 THR OG1 : rot 103:sc= 1.22 USER MOD Single : A 68 HIS : no HD1:sc= 0.592 K(o=0.59,f=-4.6!) USER MOD Single : B 56 LYS NZ :NH3+ 169:sc= 1.23 (180deg=1.04) USER MOD Single : B 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 66 TYR OH : rot 180:sc= 0 USER MOD Single : B 73 ASN : amide:sc= -1.95! K(o=-2!,f=-0.016) USER MOD Single : B 78 SER OG : rot -24:sc= 0.373 USER MOD Single : B 79 TYR OH : rot 180:sc= 0 USER MOD Single : B 83 TYR OH : rot -26:sc= 1.13 USER MOD Single : B 84 ASN : amide:sc= 0.947 K(o=0.95,f=-4.7!) USER MOD Single : B 92 THR OG1 : rot -53:sc= 1.21 USER MOD Single : B 94 TYR OH : rot 180:sc= 0 USER MOD Single : B 95 ASN : amide:sc=-0.00192 K(o=-0.0019,f=-0.91) USER MOD Single : B 98 GLN : amide:sc= -0.204 K(o=-0.2,f=-1.7!) USER MOD Single : B 103 ASN : amide:sc= -0.184 K(o=-0.18,f=-6.3!) USER MOD Single : B 105 MET CE :methyl 156:sc= -0.226 (180deg=-0.868) USER MOD Single : B 109 GLN : amide:sc= 0 X(o=0,f=-0.0088) USER MOD Single : B 112 LYS NZ :NH3+ 171:sc= -1.52! (180deg=-1.89!) USER MOD Single : B 117 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : B 118 THR OG1 : rot 180:sc= 0 USER MOD Single : B 122 MET CE :methyl -127:sc= 0 (180deg=-0.0108) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -20.593 5.421 -7.061 1.00 1.19 N ATOM 2 CA MET A 1 -19.217 5.926 -7.256 1.00 1.06 C ATOM 3 C MET A 1 -18.259 4.769 -7.498 1.00 1.03 C ATOM 4 O MET A 1 -18.498 3.646 -7.048 1.00 1.13 O ATOM 5 CB MET A 1 -18.761 6.748 -6.042 1.00 1.01 C ATOM 6 CG MET A 1 -18.674 5.949 -4.752 1.00 1.07 C ATOM 7 SD MET A 1 -16.989 5.440 -4.367 1.00 1.25 S ATOM 8 CE MET A 1 -16.286 6.988 -3.800 1.00 1.32 C ATOM 0 H1 MET A 1 -21.091 6.026 -6.378 1.00 1.19 H new ATOM 0 H2 MET A 1 -21.100 5.434 -7.969 1.00 1.19 H new ATOM 0 H3 MET A 1 -20.557 4.447 -6.699 1.00 1.19 H new ATOM 0 HA MET A 1 -19.212 6.576 -8.131 1.00 1.06 H new ATOM 0 HB2 MET A 1 -17.784 7.181 -6.256 1.00 1.01 H new ATOM 0 HB3 MET A 1 -19.453 7.578 -5.897 1.00 1.01 H new ATOM 0 HG2 MET A 1 -19.066 6.548 -3.930 1.00 1.07 H new ATOM 0 HG3 MET A 1 -19.307 5.066 -4.832 1.00 1.07 H new ATOM 0 HE1 MET A 1 -15.363 7.189 -4.344 1.00 1.32 H new ATOM 0 HE2 MET A 1 -16.995 7.796 -3.978 1.00 1.32 H new ATOM 0 HE3 MET A 1 -16.072 6.921 -2.733 1.00 1.32 H new ATOM 20 N GLN A 2 -17.184 5.036 -8.222 1.00 0.93 N ATOM 21 CA GLN A 2 -16.193 4.014 -8.516 1.00 0.89 C ATOM 22 C GLN A 2 -14.830 4.424 -7.982 1.00 0.85 C ATOM 23 O GLN A 2 -14.409 5.573 -8.140 1.00 0.93 O ATOM 24 CB GLN A 2 -16.100 3.763 -10.023 1.00 0.94 C ATOM 25 CG GLN A 2 -17.327 3.094 -10.613 1.00 1.18 C ATOM 26 CD GLN A 2 -17.082 2.565 -12.011 1.00 1.18 C ATOM 27 OE1 GLN A 2 -16.690 1.414 -12.196 1.00 1.35 O ATOM 28 NE2 GLN A 2 -17.296 3.406 -13.007 1.00 1.61 N ATOM 0 H GLN A 2 -16.975 5.953 -8.617 1.00 0.93 H new ATOM 0 HA GLN A 2 -16.507 3.093 -8.025 1.00 0.89 H new ATOM 0 HB2 GLN A 2 -15.938 4.714 -10.530 1.00 0.94 H new ATOM 0 HB3 GLN A 2 -15.227 3.142 -10.224 1.00 0.94 H new ATOM 0 HG2 GLN A 2 -17.636 2.273 -9.966 1.00 1.18 H new ATOM 0 HG3 GLN A 2 -18.150 3.808 -10.637 1.00 1.18 H new ATOM 0 HE21 GLN A 2 -17.621 4.353 -12.814 1.00 1.61 H new ATOM 0 HE22 GLN A 2 -17.136 3.108 -13.969 1.00 1.61 H new ATOM 37 N ILE A 3 -14.155 3.487 -7.338 1.00 0.76 N ATOM 38 CA ILE A 3 -12.835 3.741 -6.791 1.00 0.72 C ATOM 39 C ILE A 3 -11.808 2.847 -7.462 1.00 0.68 C ATOM 40 O ILE A 3 -12.120 1.726 -7.878 1.00 0.66 O ATOM 41 CB ILE A 3 -12.766 3.523 -5.257 1.00 0.69 C ATOM 42 CG1 ILE A 3 -13.230 2.106 -4.871 1.00 0.60 C ATOM 43 CG2 ILE A 3 -13.572 4.585 -4.524 1.00 0.85 C ATOM 44 CD1 ILE A 3 -14.727 1.963 -4.647 1.00 0.78 C ATOM 0 H ILE A 3 -14.502 2.541 -7.181 1.00 0.76 H new ATOM 0 HA ILE A 3 -12.616 4.790 -6.988 1.00 0.72 H new ATOM 0 HB ILE A 3 -11.724 3.620 -4.952 1.00 0.69 H new ATOM 0 HG12 ILE A 3 -12.927 1.413 -5.656 1.00 0.60 H new ATOM 0 HG13 ILE A 3 -12.711 1.804 -3.962 1.00 0.60 H new ATOM 0 HG21 ILE A 3 -13.509 4.412 -3.450 1.00 0.85 H new ATOM 0 HG22 ILE A 3 -13.171 5.571 -4.757 1.00 0.85 H new ATOM 0 HG23 ILE A 3 -14.614 4.533 -4.840 1.00 0.85 H new ATOM 0 HD11 ILE A 3 -14.958 0.932 -4.380 1.00 0.78 H new ATOM 0 HD12 ILE A 3 -15.039 2.626 -3.840 1.00 0.78 H new ATOM 0 HD13 ILE A 3 -15.259 2.229 -5.561 1.00 0.78 H new ATOM 56 N PHE A 4 -10.593 3.348 -7.580 1.00 0.68 N ATOM 57 CA PHE A 4 -9.521 2.588 -8.189 1.00 0.66 C ATOM 58 C PHE A 4 -8.677 1.939 -7.104 1.00 0.61 C ATOM 59 O PHE A 4 -7.789 2.572 -6.531 1.00 0.70 O ATOM 60 CB PHE A 4 -8.652 3.484 -9.074 1.00 0.73 C ATOM 61 CG PHE A 4 -9.371 4.028 -10.274 1.00 0.82 C ATOM 62 CD1 PHE A 4 -9.693 3.200 -11.339 1.00 1.03 C ATOM 63 CD2 PHE A 4 -9.725 5.367 -10.340 1.00 0.88 C ATOM 64 CE1 PHE A 4 -10.357 3.696 -12.444 1.00 1.12 C ATOM 65 CE2 PHE A 4 -10.389 5.868 -11.444 1.00 0.96 C ATOM 66 CZ PHE A 4 -10.704 5.033 -12.496 1.00 1.00 C ATOM 0 H PHE A 4 -10.325 4.279 -7.261 1.00 0.68 H new ATOM 0 HA PHE A 4 -9.956 1.813 -8.820 1.00 0.66 H new ATOM 0 HB2 PHE A 4 -8.279 4.316 -8.477 1.00 0.73 H new ATOM 0 HB3 PHE A 4 -7.784 2.917 -9.408 1.00 0.73 H new ATOM 0 HD1 PHE A 4 -9.421 2.155 -11.304 1.00 1.03 H new ATOM 0 HD2 PHE A 4 -9.479 6.026 -9.520 1.00 0.88 H new ATOM 0 HE1 PHE A 4 -10.605 3.040 -13.266 1.00 1.12 H new ATOM 0 HE2 PHE A 4 -10.661 6.912 -11.483 1.00 0.96 H new ATOM 0 HZ PHE A 4 -11.221 5.424 -13.360 1.00 1.00 H new ATOM 76 N VAL A 5 -8.969 0.684 -6.808 1.00 0.53 N ATOM 77 CA VAL A 5 -8.235 -0.034 -5.783 1.00 0.51 C ATOM 78 C VAL A 5 -6.961 -0.636 -6.368 1.00 0.51 C ATOM 79 O VAL A 5 -7.002 -1.513 -7.230 1.00 0.53 O ATOM 80 CB VAL A 5 -9.104 -1.121 -5.103 1.00 0.51 C ATOM 81 CG1 VAL A 5 -9.707 -2.079 -6.118 1.00 0.56 C ATOM 82 CG2 VAL A 5 -8.300 -1.879 -4.060 1.00 0.54 C ATOM 0 H VAL A 5 -9.706 0.144 -7.261 1.00 0.53 H new ATOM 0 HA VAL A 5 -7.959 0.682 -5.009 1.00 0.51 H new ATOM 0 HB VAL A 5 -9.929 -0.613 -4.603 1.00 0.51 H new ATOM 0 HG11 VAL A 5 -10.309 -2.826 -5.600 1.00 0.56 H new ATOM 0 HG12 VAL A 5 -10.337 -1.524 -6.813 1.00 0.56 H new ATOM 0 HG13 VAL A 5 -8.908 -2.575 -6.669 1.00 0.56 H new ATOM 0 HG21 VAL A 5 -8.930 -2.637 -3.595 1.00 0.54 H new ATOM 0 HG22 VAL A 5 -7.446 -2.360 -4.537 1.00 0.54 H new ATOM 0 HG23 VAL A 5 -7.946 -1.185 -3.298 1.00 0.54 H new ATOM 92 N LYS A 6 -5.829 -0.124 -5.919 1.00 0.54 N ATOM 93 CA LYS A 6 -4.540 -0.589 -6.391 1.00 0.58 C ATOM 94 C LYS A 6 -4.013 -1.701 -5.498 1.00 0.56 C ATOM 95 O LYS A 6 -3.728 -1.487 -4.316 1.00 0.51 O ATOM 96 CB LYS A 6 -3.546 0.574 -6.438 1.00 0.63 C ATOM 97 CG LYS A 6 -2.233 0.235 -7.125 1.00 1.21 C ATOM 98 CD LYS A 6 -1.311 1.441 -7.192 1.00 1.17 C ATOM 99 CE LYS A 6 -1.850 2.513 -8.133 1.00 1.38 C ATOM 100 NZ LYS A 6 -0.972 3.713 -8.174 1.00 1.38 N ATOM 0 H LYS A 6 -5.778 0.620 -5.223 1.00 0.54 H new ATOM 0 HA LYS A 6 -4.662 -0.988 -7.398 1.00 0.58 H new ATOM 0 HB2 LYS A 6 -4.009 1.414 -6.955 1.00 0.63 H new ATOM 0 HB3 LYS A 6 -3.338 0.902 -5.420 1.00 0.63 H new ATOM 0 HG2 LYS A 6 -1.738 -0.573 -6.587 1.00 1.21 H new ATOM 0 HG3 LYS A 6 -2.432 -0.128 -8.133 1.00 1.21 H new ATOM 0 HD2 LYS A 6 -1.189 1.861 -6.194 1.00 1.17 H new ATOM 0 HD3 LYS A 6 -0.323 1.125 -7.528 1.00 1.17 H new ATOM 0 HE2 LYS A 6 -1.945 2.099 -9.137 1.00 1.38 H new ATOM 0 HE3 LYS A 6 -2.850 2.806 -7.813 1.00 1.38 H new ATOM 0 HZ1 LYS A 6 -1.529 4.541 -8.469 1.00 1.38 H new ATOM 0 HZ2 LYS A 6 -0.572 3.883 -7.229 1.00 1.38 H new ATOM 0 HZ3 LYS A 6 -0.200 3.555 -8.853 1.00 1.38 H new ATOM 114 N THR A 7 -3.901 -2.887 -6.072 1.00 0.61 N ATOM 115 CA THR A 7 -3.400 -4.047 -5.359 1.00 0.62 C ATOM 116 C THR A 7 -1.914 -3.866 -5.047 1.00 0.63 C ATOM 117 O THR A 7 -1.230 -3.094 -5.719 1.00 0.74 O ATOM 118 CB THR A 7 -3.607 -5.330 -6.194 1.00 0.69 C ATOM 119 OG1 THR A 7 -4.867 -5.269 -6.877 1.00 1.05 O ATOM 120 CG2 THR A 7 -3.567 -6.577 -5.319 1.00 0.90 C ATOM 0 H THR A 7 -4.154 -3.071 -7.043 1.00 0.61 H new ATOM 0 HA THR A 7 -3.955 -4.145 -4.426 1.00 0.62 H new ATOM 0 HB THR A 7 -2.794 -5.392 -6.917 1.00 0.69 H new ATOM 0 HG1 THR A 7 -4.774 -4.725 -7.687 1.00 1.05 H new ATOM 0 HG21 THR A 7 -3.716 -7.461 -5.939 1.00 0.90 H new ATOM 0 HG22 THR A 7 -2.599 -6.641 -4.821 1.00 0.90 H new ATOM 0 HG23 THR A 7 -4.357 -6.521 -4.570 1.00 0.90 H new ATOM 128 N LEU A 8 -1.435 -4.579 -4.033 1.00 0.62 N ATOM 129 CA LEU A 8 -0.039 -4.512 -3.596 1.00 0.65 C ATOM 130 C LEU A 8 0.956 -4.606 -4.756 1.00 0.67 C ATOM 131 O LEU A 8 1.925 -3.856 -4.805 1.00 0.73 O ATOM 132 CB LEU A 8 0.237 -5.634 -2.591 1.00 0.72 C ATOM 133 CG LEU A 8 1.637 -5.626 -1.975 1.00 0.84 C ATOM 134 CD1 LEU A 8 1.825 -4.389 -1.112 1.00 1.54 C ATOM 135 CD2 LEU A 8 1.866 -6.894 -1.165 1.00 0.94 C ATOM 0 H LEU A 8 -2.005 -5.224 -3.486 1.00 0.62 H new ATOM 0 HA LEU A 8 0.104 -3.536 -3.132 1.00 0.65 H new ATOM 0 HB2 LEU A 8 -0.497 -5.569 -1.787 1.00 0.72 H new ATOM 0 HB3 LEU A 8 0.081 -6.592 -3.088 1.00 0.72 H new ATOM 0 HG LEU A 8 2.375 -5.598 -2.777 1.00 0.84 H new ATOM 0 HD11 LEU A 8 2.826 -4.396 -0.680 1.00 1.54 H new ATOM 0 HD12 LEU A 8 1.700 -3.496 -1.724 1.00 1.54 H new ATOM 0 HD13 LEU A 8 1.084 -4.387 -0.312 1.00 1.54 H new ATOM 0 HD21 LEU A 8 2.866 -6.874 -0.733 1.00 0.94 H new ATOM 0 HD22 LEU A 8 1.127 -6.954 -0.366 1.00 0.94 H new ATOM 0 HD23 LEU A 8 1.769 -7.764 -1.815 1.00 0.94 H new ATOM 147 N THR A 9 0.704 -5.516 -5.692 1.00 0.67 N ATOM 148 CA THR A 9 1.596 -5.709 -6.834 1.00 0.74 C ATOM 149 C THR A 9 1.589 -4.504 -7.787 1.00 0.75 C ATOM 150 O THR A 9 2.523 -4.318 -8.570 1.00 0.90 O ATOM 151 CB THR A 9 1.232 -6.999 -7.612 1.00 0.80 C ATOM 152 OG1 THR A 9 2.186 -7.241 -8.651 1.00 1.26 O ATOM 153 CG2 THR A 9 -0.162 -6.909 -8.217 1.00 0.91 C ATOM 0 H THR A 9 -0.109 -6.132 -5.684 1.00 0.67 H new ATOM 0 HA THR A 9 2.603 -5.809 -6.430 1.00 0.74 H new ATOM 0 HB THR A 9 1.248 -7.825 -6.901 1.00 0.80 H new ATOM 0 HG1 THR A 9 2.990 -7.650 -8.268 1.00 1.26 H new ATOM 0 HG21 THR A 9 -0.385 -7.830 -8.755 1.00 0.91 H new ATOM 0 HG22 THR A 9 -0.895 -6.766 -7.423 1.00 0.91 H new ATOM 0 HG23 THR A 9 -0.206 -6.066 -8.907 1.00 0.91 H new ATOM 161 N GLY A 10 0.552 -3.676 -7.703 1.00 0.71 N ATOM 162 CA GLY A 10 0.456 -2.516 -8.569 1.00 0.75 C ATOM 163 C GLY A 10 -0.750 -2.578 -9.487 1.00 0.76 C ATOM 164 O GLY A 10 -1.115 -1.581 -10.114 1.00 0.89 O ATOM 0 H GLY A 10 -0.224 -3.788 -7.050 1.00 0.71 H new ATOM 0 HA2 GLY A 10 0.399 -1.614 -7.959 1.00 0.75 H new ATOM 0 HA3 GLY A 10 1.363 -2.438 -9.169 1.00 0.75 H new ATOM 168 N LYS A 11 -1.364 -3.753 -9.566 1.00 0.82 N ATOM 169 CA LYS A 11 -2.539 -3.958 -10.403 1.00 0.85 C ATOM 170 C LYS A 11 -3.723 -3.167 -9.858 1.00 0.77 C ATOM 171 O LYS A 11 -4.133 -3.360 -8.716 1.00 0.78 O ATOM 172 CB LYS A 11 -2.882 -5.450 -10.462 1.00 0.90 C ATOM 173 CG LYS A 11 -3.990 -5.796 -11.444 1.00 0.96 C ATOM 174 CD LYS A 11 -4.335 -7.276 -11.383 1.00 1.09 C ATOM 175 CE LYS A 11 -5.099 -7.732 -12.617 1.00 1.43 C ATOM 176 NZ LYS A 11 -4.202 -7.952 -13.782 1.00 1.63 N ATOM 0 H LYS A 11 -1.064 -4.584 -9.056 1.00 0.82 H new ATOM 0 HA LYS A 11 -2.320 -3.604 -11.410 1.00 0.85 H new ATOM 0 HB2 LYS A 11 -1.985 -6.007 -10.732 1.00 0.90 H new ATOM 0 HB3 LYS A 11 -3.176 -5.783 -9.467 1.00 0.90 H new ATOM 0 HG2 LYS A 11 -4.877 -5.203 -11.220 1.00 0.96 H new ATOM 0 HG3 LYS A 11 -3.679 -5.534 -12.455 1.00 0.96 H new ATOM 0 HD2 LYS A 11 -3.419 -7.859 -11.287 1.00 1.09 H new ATOM 0 HD3 LYS A 11 -4.932 -7.473 -10.493 1.00 1.09 H new ATOM 0 HE2 LYS A 11 -5.632 -8.655 -12.392 1.00 1.43 H new ATOM 0 HE3 LYS A 11 -5.850 -6.985 -12.874 1.00 1.43 H new ATOM 0 HZ1 LYS A 11 -4.765 -8.262 -14.600 1.00 1.63 H new ATOM 0 HZ2 LYS A 11 -3.712 -7.065 -14.015 1.00 1.63 H new ATOM 0 HZ3 LYS A 11 -3.501 -8.684 -13.547 1.00 1.63 H new ATOM 190 N THR A 12 -4.263 -2.277 -10.673 1.00 0.85 N ATOM 191 CA THR A 12 -5.391 -1.455 -10.265 1.00 0.80 C ATOM 192 C THR A 12 -6.714 -2.061 -10.734 1.00 0.81 C ATOM 193 O THR A 12 -6.860 -2.424 -11.905 1.00 0.91 O ATOM 194 CB THR A 12 -5.248 -0.025 -10.819 1.00 0.85 C ATOM 195 OG1 THR A 12 -3.877 0.390 -10.721 1.00 0.90 O ATOM 196 CG2 THR A 12 -6.132 0.951 -10.055 1.00 0.84 C ATOM 0 H THR A 12 -3.938 -2.104 -11.624 1.00 0.85 H new ATOM 0 HA THR A 12 -5.395 -1.417 -9.176 1.00 0.80 H new ATOM 0 HB THR A 12 -5.564 -0.027 -11.862 1.00 0.85 H new ATOM 0 HG1 THR A 12 -3.784 1.299 -11.075 1.00 0.90 H new ATOM 0 HG21 THR A 12 -6.010 1.952 -10.468 1.00 0.84 H new ATOM 0 HG22 THR A 12 -7.174 0.645 -10.146 1.00 0.84 H new ATOM 0 HG23 THR A 12 -5.845 0.955 -9.003 1.00 0.84 H new ATOM 204 N ILE A 13 -7.662 -2.189 -9.814 1.00 0.72 N ATOM 205 CA ILE A 13 -8.969 -2.750 -10.126 1.00 0.74 C ATOM 206 C ILE A 13 -10.054 -1.696 -9.914 1.00 0.71 C ATOM 207 O ILE A 13 -9.905 -0.807 -9.076 1.00 0.64 O ATOM 208 CB ILE A 13 -9.284 -3.982 -9.245 1.00 0.72 C ATOM 209 CG1 ILE A 13 -8.002 -4.763 -8.923 1.00 0.74 C ATOM 210 CG2 ILE A 13 -10.298 -4.888 -9.936 1.00 0.80 C ATOM 211 CD1 ILE A 13 -8.197 -5.859 -7.898 1.00 0.85 C ATOM 0 H ILE A 13 -7.548 -1.910 -8.840 1.00 0.72 H new ATOM 0 HA ILE A 13 -8.950 -3.065 -11.169 1.00 0.74 H new ATOM 0 HB ILE A 13 -9.715 -3.629 -8.308 1.00 0.72 H new ATOM 0 HG12 ILE A 13 -7.615 -5.202 -9.842 1.00 0.74 H new ATOM 0 HG13 ILE A 13 -7.246 -4.068 -8.559 1.00 0.74 H new ATOM 0 HG21 ILE A 13 -10.508 -5.749 -9.302 1.00 0.80 H new ATOM 0 HG22 ILE A 13 -11.220 -4.334 -10.112 1.00 0.80 H new ATOM 0 HG23 ILE A 13 -9.892 -5.229 -10.888 1.00 0.80 H new ATOM 0 HD11 ILE A 13 -7.248 -6.366 -7.722 1.00 0.85 H new ATOM 0 HD12 ILE A 13 -8.554 -5.425 -6.964 1.00 0.85 H new ATOM 0 HD13 ILE A 13 -8.929 -6.577 -8.268 1.00 0.85 H new ATOM 223 N THR A 14 -11.135 -1.790 -10.671 1.00 0.80 N ATOM 224 CA THR A 14 -12.228 -0.837 -10.555 1.00 0.81 C ATOM 225 C THR A 14 -13.433 -1.470 -9.862 1.00 0.78 C ATOM 226 O THR A 14 -13.945 -2.503 -10.300 1.00 0.83 O ATOM 227 CB THR A 14 -12.653 -0.315 -11.939 1.00 0.94 C ATOM 228 OG1 THR A 14 -11.519 -0.299 -12.821 1.00 1.01 O ATOM 229 CG2 THR A 14 -13.237 1.087 -11.835 1.00 1.07 C ATOM 0 H THR A 14 -11.280 -2.516 -11.372 1.00 0.80 H new ATOM 0 HA THR A 14 -11.869 -0.001 -9.954 1.00 0.81 H new ATOM 0 HB THR A 14 -13.419 -0.981 -12.336 1.00 0.94 H new ATOM 0 HG1 THR A 14 -11.794 0.032 -13.701 1.00 1.01 H new ATOM 0 HG21 THR A 14 -13.530 1.434 -12.826 1.00 1.07 H new ATOM 0 HG22 THR A 14 -14.111 1.070 -11.184 1.00 1.07 H new ATOM 0 HG23 THR A 14 -12.489 1.763 -11.420 1.00 1.07 H new ATOM 237 N LEU A 15 -13.869 -0.860 -8.770 1.00 0.74 N ATOM 238 CA LEU A 15 -15.017 -1.361 -8.028 1.00 0.75 C ATOM 239 C LEU A 15 -16.166 -0.366 -8.090 1.00 0.79 C ATOM 240 O LEU A 15 -15.990 0.820 -7.801 1.00 0.81 O ATOM 241 CB LEU A 15 -14.647 -1.642 -6.570 1.00 0.74 C ATOM 242 CG LEU A 15 -14.441 -3.119 -6.218 1.00 0.74 C ATOM 243 CD1 LEU A 15 -15.696 -3.930 -6.512 1.00 0.97 C ATOM 244 CD2 LEU A 15 -13.248 -3.695 -6.968 1.00 0.93 C ATOM 0 H LEU A 15 -13.446 -0.019 -8.378 1.00 0.74 H new ATOM 0 HA LEU A 15 -15.333 -2.296 -8.490 1.00 0.75 H new ATOM 0 HB2 LEU A 15 -13.732 -1.099 -6.334 1.00 0.74 H new ATOM 0 HB3 LEU A 15 -15.432 -1.239 -5.929 1.00 0.74 H new ATOM 0 HG LEU A 15 -14.237 -3.181 -5.149 1.00 0.74 H new ATOM 0 HD11 LEU A 15 -15.523 -4.975 -6.253 1.00 0.97 H new ATOM 0 HD12 LEU A 15 -16.526 -3.543 -5.921 1.00 0.97 H new ATOM 0 HD13 LEU A 15 -15.938 -3.854 -7.572 1.00 0.97 H new ATOM 0 HD21 LEU A 15 -13.123 -4.744 -6.701 1.00 0.93 H new ATOM 0 HD22 LEU A 15 -13.418 -3.611 -8.041 1.00 0.93 H new ATOM 0 HD23 LEU A 15 -12.348 -3.142 -6.699 1.00 0.93 H new ATOM 256 N GLU A 16 -17.336 -0.854 -8.468 1.00 0.84 N ATOM 257 CA GLU A 16 -18.514 -0.016 -8.581 1.00 0.90 C ATOM 258 C GLU A 16 -19.470 -0.268 -7.413 1.00 0.83 C ATOM 259 O GLU A 16 -20.064 -1.340 -7.293 1.00 0.87 O ATOM 260 CB GLU A 16 -19.211 -0.244 -9.940 1.00 1.04 C ATOM 261 CG GLU A 16 -19.693 -1.674 -10.205 1.00 1.10 C ATOM 262 CD GLU A 16 -18.566 -2.680 -10.376 1.00 1.18 C ATOM 263 OE1 GLU A 16 -17.974 -2.746 -11.472 1.00 1.26 O ATOM 264 OE2 GLU A 16 -18.269 -3.415 -9.405 1.00 1.26 O ATOM 0 H GLU A 16 -17.494 -1.834 -8.703 1.00 0.84 H new ATOM 0 HA GLU A 16 -18.205 1.028 -8.535 1.00 0.90 H new ATOM 0 HB2 GLU A 16 -20.067 0.427 -10.006 1.00 1.04 H new ATOM 0 HB3 GLU A 16 -18.521 0.041 -10.734 1.00 1.04 H new ATOM 0 HG2 GLU A 16 -20.329 -1.992 -9.379 1.00 1.10 H new ATOM 0 HG3 GLU A 16 -20.311 -1.679 -11.103 1.00 1.10 H new ATOM 271 N VAL A 17 -19.588 0.721 -6.537 1.00 0.79 N ATOM 272 CA VAL A 17 -20.461 0.618 -5.372 1.00 0.77 C ATOM 273 C VAL A 17 -21.196 1.932 -5.130 1.00 0.78 C ATOM 274 O VAL A 17 -20.935 2.933 -5.802 1.00 0.77 O ATOM 275 CB VAL A 17 -19.675 0.241 -4.094 1.00 0.73 C ATOM 276 CG1 VAL A 17 -19.385 -1.253 -4.054 1.00 0.76 C ATOM 277 CG2 VAL A 17 -18.384 1.042 -3.997 1.00 0.71 C ATOM 0 H VAL A 17 -19.089 1.607 -6.610 1.00 0.79 H new ATOM 0 HA VAL A 17 -21.179 -0.174 -5.587 1.00 0.77 H new ATOM 0 HB VAL A 17 -20.296 0.488 -3.233 1.00 0.73 H new ATOM 0 HG11 VAL A 17 -18.832 -1.492 -3.146 1.00 0.76 H new ATOM 0 HG12 VAL A 17 -20.324 -1.806 -4.063 1.00 0.76 H new ATOM 0 HG13 VAL A 17 -18.791 -1.532 -4.925 1.00 0.76 H new ATOM 0 HG21 VAL A 17 -17.848 0.760 -3.091 1.00 0.71 H new ATOM 0 HG22 VAL A 17 -17.761 0.834 -4.867 1.00 0.71 H new ATOM 0 HG23 VAL A 17 -18.618 2.106 -3.964 1.00 0.71 H new ATOM 287 N GLU A 18 -22.110 1.925 -4.171 1.00 0.86 N ATOM 288 CA GLU A 18 -22.879 3.114 -3.842 1.00 0.91 C ATOM 289 C GLU A 18 -22.284 3.817 -2.624 1.00 0.89 C ATOM 290 O GLU A 18 -21.670 3.178 -1.779 1.00 0.85 O ATOM 291 CB GLU A 18 -24.333 2.732 -3.568 1.00 1.00 C ATOM 292 CG GLU A 18 -25.075 2.238 -4.796 1.00 1.11 C ATOM 293 CD GLU A 18 -25.170 3.297 -5.870 1.00 1.10 C ATOM 294 OE1 GLU A 18 -26.103 4.123 -5.813 1.00 1.29 O ATOM 295 OE2 GLU A 18 -24.308 3.319 -6.771 1.00 1.46 O ATOM 0 H GLU A 18 -22.337 1.106 -3.606 1.00 0.86 H new ATOM 0 HA GLU A 18 -22.842 3.799 -4.689 1.00 0.91 H new ATOM 0 HB2 GLU A 18 -24.358 1.956 -2.803 1.00 1.00 H new ATOM 0 HB3 GLU A 18 -24.856 3.597 -3.162 1.00 1.00 H new ATOM 0 HG2 GLU A 18 -24.567 1.361 -5.197 1.00 1.11 H new ATOM 0 HG3 GLU A 18 -26.078 1.922 -4.510 1.00 1.11 H new ATOM 302 N PRO A 19 -22.454 5.144 -2.515 1.00 0.95 N ATOM 303 CA PRO A 19 -21.928 5.919 -1.380 1.00 0.99 C ATOM 304 C PRO A 19 -22.519 5.458 -0.049 1.00 1.05 C ATOM 305 O PRO A 19 -21.885 5.566 1.002 1.00 1.09 O ATOM 306 CB PRO A 19 -22.364 7.357 -1.685 1.00 1.08 C ATOM 307 CG PRO A 19 -23.472 7.228 -2.677 1.00 1.07 C ATOM 308 CD PRO A 19 -23.166 5.996 -3.479 1.00 1.04 C ATOM 0 HA PRO A 19 -20.849 5.804 -1.276 1.00 0.99 H new ATOM 0 HB2 PRO A 19 -22.701 7.866 -0.782 1.00 1.08 H new ATOM 0 HB3 PRO A 19 -21.538 7.941 -2.091 1.00 1.08 H new ATOM 0 HG2 PRO A 19 -24.436 7.138 -2.176 1.00 1.07 H new ATOM 0 HG3 PRO A 19 -23.526 8.108 -3.318 1.00 1.07 H new ATOM 0 HD2 PRO A 19 -24.074 5.518 -3.847 1.00 1.04 H new ATOM 0 HD3 PRO A 19 -22.550 6.223 -4.349 1.00 1.04 H new ATOM 316 N SER A 20 -23.737 4.935 -0.111 1.00 1.11 N ATOM 317 CA SER A 20 -24.435 4.451 1.068 1.00 1.22 C ATOM 318 C SER A 20 -24.008 3.027 1.431 1.00 1.11 C ATOM 319 O SER A 20 -24.497 2.454 2.406 1.00 1.16 O ATOM 320 CB SER A 20 -25.937 4.496 0.811 1.00 1.42 C ATOM 321 OG SER A 20 -26.202 4.854 -0.541 1.00 1.61 O ATOM 0 H SER A 20 -24.265 4.836 -0.978 1.00 1.11 H new ATOM 0 HA SER A 20 -24.179 5.095 1.910 1.00 1.22 H new ATOM 0 HB2 SER A 20 -26.378 3.523 1.029 1.00 1.42 H new ATOM 0 HB3 SER A 20 -26.405 5.216 1.482 1.00 1.42 H new ATOM 0 HG SER A 20 -27.170 4.877 -0.690 1.00 1.61 H new ATOM 327 N ASP A 21 -23.106 2.459 0.641 1.00 0.99 N ATOM 328 CA ASP A 21 -22.623 1.108 0.890 1.00 0.91 C ATOM 329 C ASP A 21 -21.522 1.127 1.933 1.00 0.86 C ATOM 330 O ASP A 21 -20.535 1.852 1.799 1.00 0.89 O ATOM 331 CB ASP A 21 -22.098 0.466 -0.395 1.00 0.87 C ATOM 332 CG ASP A 21 -23.093 -0.489 -1.015 1.00 0.92 C ATOM 333 OD1 ASP A 21 -23.382 -1.537 -0.398 1.00 1.09 O ATOM 334 OD2 ASP A 21 -23.585 -0.205 -2.128 1.00 1.32 O ATOM 0 H ASP A 21 -22.695 2.912 -0.175 1.00 0.99 H new ATOM 0 HA ASP A 21 -23.461 0.516 1.258 1.00 0.91 H new ATOM 0 HB2 ASP A 21 -21.853 1.248 -1.114 1.00 0.87 H new ATOM 0 HB3 ASP A 21 -21.173 -0.068 -0.178 1.00 0.87 H new ATOM 339 N THR A 22 -21.703 0.349 2.983 1.00 0.83 N ATOM 340 CA THR A 22 -20.720 0.269 4.042 1.00 0.82 C ATOM 341 C THR A 22 -19.490 -0.495 3.555 1.00 0.76 C ATOM 342 O THR A 22 -19.597 -1.363 2.685 1.00 0.75 O ATOM 343 CB THR A 22 -21.324 -0.411 5.281 1.00 0.88 C ATOM 344 OG1 THR A 22 -22.522 -1.110 4.909 1.00 1.00 O ATOM 345 CG2 THR A 22 -21.640 0.611 6.365 1.00 1.13 C ATOM 0 H THR A 22 -22.525 -0.238 3.124 1.00 0.83 H new ATOM 0 HA THR A 22 -20.416 1.278 4.320 1.00 0.82 H new ATOM 0 HB THR A 22 -20.594 -1.116 5.679 1.00 0.88 H new ATOM 0 HG1 THR A 22 -22.300 -2.032 4.663 1.00 1.00 H new ATOM 0 HG21 THR A 22 -22.066 0.104 7.230 1.00 1.13 H new ATOM 0 HG22 THR A 22 -20.724 1.124 6.660 1.00 1.13 H new ATOM 0 HG23 THR A 22 -22.356 1.338 5.982 1.00 1.13 H new ATOM 353 N ILE A 23 -18.329 -0.168 4.119 1.00 0.74 N ATOM 354 CA ILE A 23 -17.063 -0.796 3.727 1.00 0.69 C ATOM 355 C ILE A 23 -17.137 -2.327 3.761 1.00 0.67 C ATOM 356 O ILE A 23 -16.514 -3.001 2.938 1.00 0.63 O ATOM 357 CB ILE A 23 -15.898 -0.308 4.617 1.00 0.68 C ATOM 358 CG1 ILE A 23 -15.796 1.224 4.577 1.00 0.71 C ATOM 359 CG2 ILE A 23 -14.583 -0.940 4.182 1.00 0.63 C ATOM 360 CD1 ILE A 23 -15.574 1.795 3.188 1.00 0.69 C ATOM 0 H ILE A 23 -18.236 0.533 4.854 1.00 0.74 H new ATOM 0 HA ILE A 23 -16.875 -0.493 2.697 1.00 0.69 H new ATOM 0 HB ILE A 23 -16.102 -0.616 5.643 1.00 0.68 H new ATOM 0 HG12 ILE A 23 -16.710 1.649 4.991 1.00 0.71 H new ATOM 0 HG13 ILE A 23 -14.977 1.540 5.223 1.00 0.71 H new ATOM 0 HG21 ILE A 23 -13.777 -0.582 4.823 1.00 0.63 H new ATOM 0 HG22 ILE A 23 -14.656 -2.025 4.263 1.00 0.63 H new ATOM 0 HG23 ILE A 23 -14.373 -0.667 3.148 1.00 0.63 H new ATOM 0 HD11 ILE A 23 -15.513 2.882 3.247 1.00 0.69 H new ATOM 0 HD12 ILE A 23 -14.644 1.401 2.777 1.00 0.69 H new ATOM 0 HD13 ILE A 23 -16.405 1.512 2.541 1.00 0.69 H new ATOM 372 N GLU A 24 -17.906 -2.875 4.698 1.00 0.71 N ATOM 373 CA GLU A 24 -18.052 -4.326 4.808 1.00 0.72 C ATOM 374 C GLU A 24 -18.648 -4.924 3.529 1.00 0.71 C ATOM 375 O GLU A 24 -18.153 -5.931 3.023 1.00 0.71 O ATOM 376 CB GLU A 24 -18.897 -4.718 6.031 1.00 0.80 C ATOM 377 CG GLU A 24 -19.983 -3.720 6.409 1.00 0.95 C ATOM 378 CD GLU A 24 -21.336 -4.077 5.832 1.00 0.97 C ATOM 379 OE1 GLU A 24 -22.060 -4.880 6.458 1.00 1.14 O ATOM 380 OE2 GLU A 24 -21.686 -3.548 4.760 1.00 1.64 O ATOM 0 H GLU A 24 -18.435 -2.342 5.388 1.00 0.71 H new ATOM 0 HA GLU A 24 -17.053 -4.739 4.944 1.00 0.72 H new ATOM 0 HB2 GLU A 24 -19.364 -5.684 5.837 1.00 0.80 H new ATOM 0 HB3 GLU A 24 -18.233 -4.851 6.885 1.00 0.80 H new ATOM 0 HG2 GLU A 24 -20.059 -3.667 7.495 1.00 0.95 H new ATOM 0 HG3 GLU A 24 -19.695 -2.728 6.061 1.00 0.95 H new ATOM 387 N ASN A 25 -19.691 -4.291 2.996 1.00 0.72 N ATOM 388 CA ASN A 25 -20.327 -4.776 1.773 1.00 0.73 C ATOM 389 C ASN A 25 -19.402 -4.564 0.584 1.00 0.69 C ATOM 390 O ASN A 25 -19.366 -5.374 -0.342 1.00 0.70 O ATOM 391 CB ASN A 25 -21.662 -4.077 1.520 1.00 0.79 C ATOM 392 CG ASN A 25 -22.559 -4.875 0.590 1.00 0.86 C ATOM 393 OD1 ASN A 25 -22.554 -6.106 0.606 1.00 0.96 O ATOM 394 ND2 ASN A 25 -23.336 -4.181 -0.228 1.00 0.97 N ATOM 0 H ASN A 25 -20.111 -3.448 3.388 1.00 0.72 H new ATOM 0 HA ASN A 25 -20.521 -5.841 1.899 1.00 0.73 H new ATOM 0 HB2 ASN A 25 -22.174 -3.920 2.469 1.00 0.79 H new ATOM 0 HB3 ASN A 25 -21.479 -3.092 1.090 1.00 0.79 H new ATOM 0 HD21 ASN A 25 -23.958 -4.666 -0.874 1.00 0.97 H new ATOM 0 HD22 ASN A 25 -23.312 -3.161 -0.212 1.00 0.97 H new ATOM 401 N VAL A 26 -18.652 -3.465 0.617 1.00 0.65 N ATOM 402 CA VAL A 26 -17.698 -3.161 -0.444 1.00 0.62 C ATOM 403 C VAL A 26 -16.656 -4.271 -0.507 1.00 0.58 C ATOM 404 O VAL A 26 -16.256 -4.711 -1.587 1.00 0.57 O ATOM 405 CB VAL A 26 -17.003 -1.798 -0.222 1.00 0.60 C ATOM 406 CG1 VAL A 26 -16.020 -1.501 -1.346 1.00 0.59 C ATOM 407 CG2 VAL A 26 -18.032 -0.682 -0.107 1.00 0.63 C ATOM 0 H VAL A 26 -18.687 -2.773 1.365 1.00 0.65 H new ATOM 0 HA VAL A 26 -18.243 -3.098 -1.386 1.00 0.62 H new ATOM 0 HB VAL A 26 -16.446 -1.852 0.714 1.00 0.60 H new ATOM 0 HG11 VAL A 26 -15.544 -0.537 -1.168 1.00 0.59 H new ATOM 0 HG12 VAL A 26 -15.259 -2.281 -1.380 1.00 0.59 H new ATOM 0 HG13 VAL A 26 -16.552 -1.472 -2.297 1.00 0.59 H new ATOM 0 HG21 VAL A 26 -17.522 0.269 0.049 1.00 0.63 H new ATOM 0 HG22 VAL A 26 -18.619 -0.633 -1.024 1.00 0.63 H new ATOM 0 HG23 VAL A 26 -18.693 -0.882 0.737 1.00 0.63 H new ATOM 417 N LYS A 27 -16.248 -4.737 0.671 1.00 0.57 N ATOM 418 CA LYS A 27 -15.283 -5.821 0.780 1.00 0.54 C ATOM 419 C LYS A 27 -15.880 -7.099 0.203 1.00 0.55 C ATOM 420 O LYS A 27 -15.200 -7.864 -0.480 1.00 0.52 O ATOM 421 CB LYS A 27 -14.902 -6.065 2.245 1.00 0.59 C ATOM 422 CG LYS A 27 -13.795 -5.166 2.775 1.00 0.67 C ATOM 423 CD LYS A 27 -13.432 -5.543 4.206 1.00 0.82 C ATOM 424 CE LYS A 27 -12.086 -4.974 4.624 1.00 1.03 C ATOM 425 NZ LYS A 27 -11.548 -5.667 5.829 1.00 1.08 N ATOM 0 H LYS A 27 -16.575 -4.376 1.567 1.00 0.57 H new ATOM 0 HA LYS A 27 -14.389 -5.541 0.223 1.00 0.54 H new ATOM 0 HB2 LYS A 27 -15.789 -5.929 2.864 1.00 0.59 H new ATOM 0 HB3 LYS A 27 -14.592 -7.104 2.357 1.00 0.59 H new ATOM 0 HG2 LYS A 27 -12.915 -5.250 2.137 1.00 0.67 H new ATOM 0 HG3 LYS A 27 -14.117 -4.125 2.739 1.00 0.67 H new ATOM 0 HD2 LYS A 27 -14.205 -5.179 4.883 1.00 0.82 H new ATOM 0 HD3 LYS A 27 -13.411 -6.629 4.300 1.00 0.82 H new ATOM 0 HE2 LYS A 27 -11.378 -5.071 3.801 1.00 1.03 H new ATOM 0 HE3 LYS A 27 -12.189 -3.909 4.832 1.00 1.03 H new ATOM 0 HZ1 LYS A 27 -10.509 -5.626 5.818 1.00 1.08 H new ATOM 0 HZ2 LYS A 27 -11.904 -5.199 6.687 1.00 1.08 H new ATOM 0 HZ3 LYS A 27 -11.855 -6.661 5.824 1.00 1.08 H new ATOM 439 N ALA A 28 -17.165 -7.310 0.486 1.00 0.63 N ATOM 440 CA ALA A 28 -17.885 -8.487 0.012 1.00 0.68 C ATOM 441 C ALA A 28 -17.990 -8.497 -1.510 1.00 0.68 C ATOM 442 O ALA A 28 -17.967 -9.558 -2.132 1.00 0.75 O ATOM 443 CB ALA A 28 -19.268 -8.549 0.645 1.00 0.75 C ATOM 0 H ALA A 28 -17.731 -6.673 1.047 1.00 0.63 H new ATOM 0 HA ALA A 28 -17.322 -9.371 0.311 1.00 0.68 H new ATOM 0 HB1 ALA A 28 -19.795 -9.432 0.283 1.00 0.75 H new ATOM 0 HB2 ALA A 28 -19.170 -8.604 1.729 1.00 0.75 H new ATOM 0 HB3 ALA A 28 -19.831 -7.655 0.377 1.00 0.75 H new ATOM 449 N LYS A 29 -18.108 -7.317 -2.110 1.00 0.65 N ATOM 450 CA LYS A 29 -18.199 -7.215 -3.562 1.00 0.70 C ATOM 451 C LYS A 29 -16.899 -7.694 -4.199 1.00 0.67 C ATOM 452 O LYS A 29 -16.908 -8.415 -5.200 1.00 0.76 O ATOM 453 CB LYS A 29 -18.503 -5.779 -3.992 1.00 0.72 C ATOM 454 CG LYS A 29 -19.811 -5.638 -4.757 1.00 1.05 C ATOM 455 CD LYS A 29 -19.672 -4.692 -5.936 1.00 1.00 C ATOM 456 CE LYS A 29 -20.884 -4.767 -6.849 1.00 1.39 C ATOM 457 NZ LYS A 29 -20.749 -3.858 -8.013 1.00 1.23 N ATOM 0 H LYS A 29 -18.143 -6.424 -1.618 1.00 0.65 H new ATOM 0 HA LYS A 29 -19.018 -7.849 -3.901 1.00 0.70 H new ATOM 0 HB2 LYS A 29 -18.538 -5.143 -3.107 1.00 0.72 H new ATOM 0 HB3 LYS A 29 -17.686 -5.414 -4.615 1.00 0.72 H new ATOM 0 HG2 LYS A 29 -20.133 -6.617 -5.112 1.00 1.05 H new ATOM 0 HG3 LYS A 29 -20.588 -5.271 -4.086 1.00 1.05 H new ATOM 0 HD2 LYS A 29 -19.549 -3.671 -5.574 1.00 1.00 H new ATOM 0 HD3 LYS A 29 -18.773 -4.940 -6.500 1.00 1.00 H new ATOM 0 HE2 LYS A 29 -21.013 -5.791 -7.200 1.00 1.39 H new ATOM 0 HE3 LYS A 29 -21.781 -4.507 -6.286 1.00 1.39 H new ATOM 0 HZ1 LYS A 29 -21.496 -4.067 -8.705 1.00 1.23 H new ATOM 0 HZ2 LYS A 29 -20.838 -2.872 -7.695 1.00 1.23 H new ATOM 0 HZ3 LYS A 29 -19.818 -3.997 -8.456 1.00 1.23 H new ATOM 471 N ILE A 30 -15.781 -7.301 -3.604 1.00 0.57 N ATOM 472 CA ILE A 30 -14.471 -7.704 -4.094 1.00 0.55 C ATOM 473 C ILE A 30 -14.256 -9.184 -3.795 1.00 0.61 C ATOM 474 O ILE A 30 -13.575 -9.900 -4.534 1.00 0.65 O ATOM 475 CB ILE A 30 -13.350 -6.869 -3.442 1.00 0.45 C ATOM 476 CG1 ILE A 30 -13.662 -5.377 -3.583 1.00 0.48 C ATOM 477 CG2 ILE A 30 -12.003 -7.198 -4.069 1.00 0.46 C ATOM 478 CD1 ILE A 30 -12.753 -4.481 -2.775 1.00 0.45 C ATOM 0 H ILE A 30 -15.756 -6.702 -2.779 1.00 0.57 H new ATOM 0 HA ILE A 30 -14.435 -7.533 -5.170 1.00 0.55 H new ATOM 0 HB ILE A 30 -13.298 -7.117 -2.382 1.00 0.45 H new ATOM 0 HG12 ILE A 30 -13.589 -5.099 -4.634 1.00 0.48 H new ATOM 0 HG13 ILE A 30 -14.694 -5.201 -3.278 1.00 0.48 H new ATOM 0 HG21 ILE A 30 -11.225 -6.599 -3.596 1.00 0.46 H new ATOM 0 HG22 ILE A 30 -11.784 -8.256 -3.926 1.00 0.46 H new ATOM 0 HG23 ILE A 30 -12.034 -6.975 -5.136 1.00 0.46 H new ATOM 0 HD11 ILE A 30 -13.038 -3.440 -2.928 1.00 0.45 H new ATOM 0 HD12 ILE A 30 -12.843 -4.730 -1.718 1.00 0.45 H new ATOM 0 HD13 ILE A 30 -11.721 -4.626 -3.095 1.00 0.45 H new ATOM 490 N GLN A 31 -14.875 -9.626 -2.710 1.00 0.64 N ATOM 491 CA GLN A 31 -14.812 -11.012 -2.270 1.00 0.74 C ATOM 492 C GLN A 31 -15.493 -11.925 -3.290 1.00 0.81 C ATOM 493 O GLN A 31 -15.109 -13.081 -3.460 1.00 0.87 O ATOM 494 CB GLN A 31 -15.502 -11.135 -0.908 1.00 0.80 C ATOM 495 CG GLN A 31 -15.363 -12.491 -0.240 1.00 1.04 C ATOM 496 CD GLN A 31 -16.395 -12.695 0.854 1.00 1.06 C ATOM 497 OE1 GLN A 31 -16.963 -11.735 1.383 1.00 0.95 O ATOM 498 NE2 GLN A 31 -16.637 -13.943 1.213 1.00 1.53 N ATOM 0 H GLN A 31 -15.439 -9.028 -2.106 1.00 0.64 H new ATOM 0 HA GLN A 31 -13.769 -11.317 -2.181 1.00 0.74 H new ATOM 0 HB2 GLN A 31 -15.095 -10.375 -0.241 1.00 0.80 H new ATOM 0 HB3 GLN A 31 -16.562 -10.915 -1.033 1.00 0.80 H new ATOM 0 HG2 GLN A 31 -15.468 -13.276 -0.989 1.00 1.04 H new ATOM 0 HG3 GLN A 31 -14.363 -12.586 0.183 1.00 1.04 H new ATOM 0 HE21 GLN A 31 -16.148 -14.710 0.752 1.00 1.53 H new ATOM 0 HE22 GLN A 31 -17.313 -14.139 1.951 1.00 1.53 H new ATOM 507 N ASP A 32 -16.497 -11.393 -3.974 1.00 0.85 N ATOM 508 CA ASP A 32 -17.227 -12.161 -4.974 1.00 0.94 C ATOM 509 C ASP A 32 -16.638 -11.964 -6.370 1.00 0.97 C ATOM 510 O ASP A 32 -16.570 -12.906 -7.159 1.00 1.05 O ATOM 511 CB ASP A 32 -18.707 -11.772 -4.979 1.00 1.01 C ATOM 512 CG ASP A 32 -19.540 -12.685 -5.858 1.00 1.17 C ATOM 513 OD1 ASP A 32 -19.731 -13.863 -5.488 1.00 1.33 O ATOM 514 OD2 ASP A 32 -20.011 -12.228 -6.920 1.00 1.32 O ATOM 0 H ASP A 32 -16.824 -10.434 -3.855 1.00 0.85 H new ATOM 0 HA ASP A 32 -17.134 -13.214 -4.707 1.00 0.94 H new ATOM 0 HB2 ASP A 32 -19.092 -11.803 -3.960 1.00 1.01 H new ATOM 0 HB3 ASP A 32 -18.809 -10.744 -5.327 1.00 1.01 H new ATOM 519 N LYS A 33 -16.211 -10.743 -6.677 1.00 0.95 N ATOM 520 CA LYS A 33 -15.641 -10.451 -7.992 1.00 1.02 C ATOM 521 C LYS A 33 -14.244 -11.056 -8.135 1.00 0.98 C ATOM 522 O LYS A 33 -14.037 -11.967 -8.935 1.00 1.14 O ATOM 523 CB LYS A 33 -15.595 -8.935 -8.249 1.00 1.02 C ATOM 524 CG LYS A 33 -15.345 -8.572 -9.711 1.00 1.05 C ATOM 525 CD LYS A 33 -15.149 -7.071 -9.912 1.00 1.15 C ATOM 526 CE LYS A 33 -16.472 -6.331 -10.062 1.00 1.33 C ATOM 527 NZ LYS A 33 -16.310 -5.039 -10.791 1.00 1.55 N ATOM 0 H LYS A 33 -16.247 -9.946 -6.042 1.00 0.95 H new ATOM 0 HA LYS A 33 -16.289 -10.908 -8.740 1.00 1.02 H new ATOM 0 HB2 LYS A 33 -16.538 -8.492 -7.929 1.00 1.02 H new ATOM 0 HB3 LYS A 33 -14.810 -8.494 -7.634 1.00 1.02 H new ATOM 0 HG2 LYS A 33 -14.462 -9.102 -10.068 1.00 1.05 H new ATOM 0 HG3 LYS A 33 -16.187 -8.910 -10.316 1.00 1.05 H new ATOM 0 HD2 LYS A 33 -14.600 -6.662 -9.064 1.00 1.15 H new ATOM 0 HD3 LYS A 33 -14.538 -6.902 -10.799 1.00 1.15 H new ATOM 0 HE2 LYS A 33 -17.182 -6.962 -10.596 1.00 1.33 H new ATOM 0 HE3 LYS A 33 -16.895 -6.140 -9.076 1.00 1.33 H new ATOM 0 HZ1 LYS A 33 -16.598 -4.253 -10.173 1.00 1.55 H new ATOM 0 HZ2 LYS A 33 -15.314 -4.917 -11.065 1.00 1.55 H new ATOM 0 HZ3 LYS A 33 -16.905 -5.045 -11.644 1.00 1.55 H new ATOM 541 N GLU A 34 -13.294 -10.561 -7.350 1.00 0.84 N ATOM 542 CA GLU A 34 -11.921 -11.051 -7.414 1.00 0.82 C ATOM 543 C GLU A 34 -11.750 -12.311 -6.571 1.00 0.82 C ATOM 544 O GLU A 34 -10.988 -13.211 -6.927 1.00 1.08 O ATOM 545 CB GLU A 34 -10.948 -9.967 -6.949 1.00 0.75 C ATOM 546 CG GLU A 34 -10.976 -8.717 -7.814 1.00 1.08 C ATOM 547 CD GLU A 34 -10.728 -9.020 -9.279 1.00 1.63 C ATOM 548 OE1 GLU A 34 -9.621 -9.490 -9.615 1.00 1.88 O ATOM 549 OE2 GLU A 34 -11.638 -8.792 -10.102 1.00 2.06 O ATOM 0 H GLU A 34 -13.448 -9.823 -6.663 1.00 0.84 H new ATOM 0 HA GLU A 34 -11.699 -11.303 -8.451 1.00 0.82 H new ATOM 0 HB2 GLU A 34 -11.185 -9.693 -5.921 1.00 0.75 H new ATOM 0 HB3 GLU A 34 -9.937 -10.374 -6.945 1.00 0.75 H new ATOM 0 HG2 GLU A 34 -11.943 -8.226 -7.706 1.00 1.08 H new ATOM 0 HG3 GLU A 34 -10.221 -8.016 -7.458 1.00 1.08 H new ATOM 556 N GLY A 35 -12.459 -12.369 -5.455 1.00 0.96 N ATOM 557 CA GLY A 35 -12.373 -13.525 -4.588 1.00 0.98 C ATOM 558 C GLY A 35 -11.358 -13.342 -3.482 1.00 0.87 C ATOM 559 O GLY A 35 -10.533 -14.219 -3.237 1.00 1.01 O ATOM 0 H GLY A 35 -13.092 -11.637 -5.134 1.00 0.96 H new ATOM 0 HA2 GLY A 35 -13.352 -13.721 -4.150 1.00 0.98 H new ATOM 0 HA3 GLY A 35 -12.107 -14.401 -5.180 1.00 0.98 H new ATOM 563 N ILE A 36 -11.414 -12.197 -2.819 1.00 0.83 N ATOM 564 CA ILE A 36 -10.490 -11.902 -1.731 1.00 0.72 C ATOM 565 C ILE A 36 -11.236 -11.825 -0.401 1.00 0.68 C ATOM 566 O ILE A 36 -12.143 -11.006 -0.245 1.00 0.71 O ATOM 567 CB ILE A 36 -9.735 -10.574 -1.970 1.00 0.70 C ATOM 568 CG1 ILE A 36 -9.080 -10.581 -3.355 1.00 0.86 C ATOM 569 CG2 ILE A 36 -8.692 -10.346 -0.880 1.00 0.66 C ATOM 570 CD1 ILE A 36 -8.376 -9.285 -3.709 1.00 0.88 C ATOM 0 H ILE A 36 -12.088 -11.457 -3.014 1.00 0.83 H new ATOM 0 HA ILE A 36 -9.762 -12.713 -1.697 1.00 0.72 H new ATOM 0 HB ILE A 36 -10.451 -9.753 -1.930 1.00 0.70 H new ATOM 0 HG12 ILE A 36 -8.360 -11.398 -3.402 1.00 0.86 H new ATOM 0 HG13 ILE A 36 -9.843 -10.785 -4.106 1.00 0.86 H new ATOM 0 HG21 ILE A 36 -8.171 -9.407 -1.066 1.00 0.66 H new ATOM 0 HG22 ILE A 36 -9.185 -10.302 0.091 1.00 0.66 H new ATOM 0 HG23 ILE A 36 -7.974 -11.166 -0.886 1.00 0.66 H new ATOM 0 HD11 ILE A 36 -7.938 -9.369 -4.704 1.00 0.88 H new ATOM 0 HD12 ILE A 36 -9.095 -8.465 -3.697 1.00 0.88 H new ATOM 0 HD13 ILE A 36 -7.589 -9.088 -2.981 1.00 0.88 H new ATOM 582 N PRO A 37 -10.879 -12.695 0.563 1.00 0.70 N ATOM 583 CA PRO A 37 -11.512 -12.726 1.889 1.00 0.76 C ATOM 584 C PRO A 37 -11.470 -11.365 2.585 1.00 0.68 C ATOM 585 O PRO A 37 -10.416 -10.738 2.679 1.00 0.66 O ATOM 586 CB PRO A 37 -10.688 -13.756 2.674 1.00 0.91 C ATOM 587 CG PRO A 37 -9.466 -14.008 1.856 1.00 0.86 C ATOM 588 CD PRO A 37 -9.842 -13.726 0.434 1.00 0.75 C ATOM 0 HA PRO A 37 -12.570 -12.981 1.821 1.00 0.76 H new ATOM 0 HB2 PRO A 37 -10.426 -13.376 3.662 1.00 0.91 H new ATOM 0 HB3 PRO A 37 -11.253 -14.675 2.826 1.00 0.91 H new ATOM 0 HG2 PRO A 37 -8.646 -13.365 2.175 1.00 0.86 H new ATOM 0 HG3 PRO A 37 -9.127 -15.038 1.971 1.00 0.86 H new ATOM 0 HD2 PRO A 37 -8.990 -13.371 -0.146 1.00 0.75 H new ATOM 0 HD3 PRO A 37 -10.219 -14.617 -0.068 1.00 0.75 H new ATOM 596 N PRO A 38 -12.620 -10.909 3.108 1.00 0.67 N ATOM 597 CA PRO A 38 -12.741 -9.606 3.774 1.00 0.65 C ATOM 598 C PRO A 38 -11.869 -9.461 5.021 1.00 0.74 C ATOM 599 O PRO A 38 -11.457 -8.352 5.363 1.00 0.75 O ATOM 600 CB PRO A 38 -14.225 -9.529 4.152 1.00 0.70 C ATOM 601 CG PRO A 38 -14.690 -10.943 4.165 1.00 0.76 C ATOM 602 CD PRO A 38 -13.902 -11.636 3.095 1.00 0.73 C ATOM 0 HA PRO A 38 -12.401 -8.805 3.117 1.00 0.65 H new ATOM 0 HB2 PRO A 38 -14.361 -9.059 5.126 1.00 0.70 H new ATOM 0 HB3 PRO A 38 -14.786 -8.935 3.431 1.00 0.70 H new ATOM 0 HG2 PRO A 38 -14.519 -11.403 5.138 1.00 0.76 H new ATOM 0 HG3 PRO A 38 -15.760 -11.006 3.967 1.00 0.76 H new ATOM 0 HD2 PRO A 38 -13.768 -12.695 3.314 1.00 0.73 H new ATOM 0 HD3 PRO A 38 -14.394 -11.571 2.124 1.00 0.73 H new ATOM 610 N ASP A 39 -11.580 -10.570 5.692 1.00 0.85 N ATOM 611 CA ASP A 39 -10.771 -10.529 6.909 1.00 1.00 C ATOM 612 C ASP A 39 -9.293 -10.366 6.593 1.00 0.95 C ATOM 613 O ASP A 39 -8.548 -9.771 7.370 1.00 1.05 O ATOM 614 CB ASP A 39 -10.979 -11.791 7.751 1.00 1.20 C ATOM 615 CG ASP A 39 -12.332 -11.816 8.427 1.00 1.18 C ATOM 616 OD1 ASP A 39 -12.557 -10.999 9.344 1.00 1.53 O ATOM 617 OD2 ASP A 39 -13.178 -12.650 8.045 1.00 1.57 O ATOM 0 H ASP A 39 -11.890 -11.503 5.419 1.00 0.85 H new ATOM 0 HA ASP A 39 -11.101 -9.661 7.480 1.00 1.00 H new ATOM 0 HB2 ASP A 39 -10.877 -12.670 7.115 1.00 1.20 H new ATOM 0 HB3 ASP A 39 -10.197 -11.853 8.507 1.00 1.20 H new ATOM 622 N GLN A 40 -8.866 -10.896 5.454 1.00 0.91 N ATOM 623 CA GLN A 40 -7.467 -10.801 5.052 1.00 0.94 C ATOM 624 C GLN A 40 -7.247 -9.580 4.168 1.00 0.84 C ATOM 625 O GLN A 40 -6.114 -9.158 3.942 1.00 0.93 O ATOM 626 CB GLN A 40 -7.026 -12.069 4.317 1.00 1.05 C ATOM 627 CG GLN A 40 -6.800 -13.266 5.231 1.00 1.25 C ATOM 628 CD GLN A 40 -8.016 -14.167 5.344 1.00 1.38 C ATOM 629 OE1 GLN A 40 -8.196 -15.084 4.546 1.00 1.98 O ATOM 630 NE2 GLN A 40 -8.852 -13.924 6.341 1.00 1.60 N ATOM 0 H GLN A 40 -9.464 -11.394 4.795 1.00 0.91 H new ATOM 0 HA GLN A 40 -6.863 -10.695 5.953 1.00 0.94 H new ATOM 0 HB2 GLN A 40 -7.781 -12.328 3.575 1.00 1.05 H new ATOM 0 HB3 GLN A 40 -6.104 -11.860 3.774 1.00 1.05 H new ATOM 0 HG2 GLN A 40 -5.958 -13.848 4.856 1.00 1.25 H new ATOM 0 HG3 GLN A 40 -6.525 -12.910 6.224 1.00 1.25 H new ATOM 0 HE21 GLN A 40 -8.669 -13.153 6.984 1.00 1.60 H new ATOM 0 HE22 GLN A 40 -9.679 -14.507 6.467 1.00 1.60 H new ATOM 639 N GLN A 41 -8.346 -9.023 3.680 1.00 0.75 N ATOM 640 CA GLN A 41 -8.309 -7.852 2.819 1.00 0.70 C ATOM 641 C GLN A 41 -8.199 -6.572 3.645 1.00 0.60 C ATOM 642 O GLN A 41 -9.084 -6.254 4.445 1.00 0.68 O ATOM 643 CB GLN A 41 -9.566 -7.820 1.944 1.00 0.73 C ATOM 644 CG GLN A 41 -9.846 -6.474 1.301 1.00 0.74 C ATOM 645 CD GLN A 41 -10.871 -6.561 0.188 1.00 0.74 C ATOM 646 OE1 GLN A 41 -10.858 -5.761 -0.740 1.00 1.32 O ATOM 647 NE2 GLN A 41 -11.761 -7.538 0.271 1.00 0.87 N ATOM 0 H GLN A 41 -9.286 -9.370 3.870 1.00 0.75 H new ATOM 0 HA GLN A 41 -7.428 -7.913 2.180 1.00 0.70 H new ATOM 0 HB2 GLN A 41 -9.468 -8.571 1.160 1.00 0.73 H new ATOM 0 HB3 GLN A 41 -10.425 -8.105 2.552 1.00 0.73 H new ATOM 0 HG2 GLN A 41 -10.200 -5.779 2.062 1.00 0.74 H new ATOM 0 HG3 GLN A 41 -8.917 -6.065 0.903 1.00 0.74 H new ATOM 0 HE21 GLN A 41 -11.738 -8.183 1.060 1.00 0.87 H new ATOM 0 HE22 GLN A 41 -12.470 -7.645 -0.455 1.00 0.87 H new ATOM 656 N ARG A 42 -7.104 -5.852 3.453 1.00 0.54 N ATOM 657 CA ARG A 42 -6.867 -4.605 4.162 1.00 0.55 C ATOM 658 C ARG A 42 -6.904 -3.427 3.193 1.00 0.47 C ATOM 659 O ARG A 42 -6.075 -3.322 2.295 1.00 0.51 O ATOM 660 CB ARG A 42 -5.516 -4.657 4.877 1.00 0.71 C ATOM 661 CG ARG A 42 -5.204 -3.403 5.676 1.00 0.83 C ATOM 662 CD ARG A 42 -3.912 -3.548 6.463 1.00 1.06 C ATOM 663 NE ARG A 42 -4.024 -2.954 7.793 1.00 0.88 N ATOM 664 CZ ARG A 42 -3.095 -3.058 8.741 1.00 0.94 C ATOM 665 NH1 ARG A 42 -1.949 -3.685 8.502 1.00 1.58 N ATOM 666 NH2 ARG A 42 -3.309 -2.521 9.933 1.00 1.55 N ATOM 0 H ARG A 42 -6.360 -6.114 2.806 1.00 0.54 H new ATOM 0 HA ARG A 42 -7.655 -4.470 4.903 1.00 0.55 H new ATOM 0 HB2 ARG A 42 -5.501 -5.517 5.546 1.00 0.71 H new ATOM 0 HB3 ARG A 42 -4.729 -4.813 4.139 1.00 0.71 H new ATOM 0 HG2 ARG A 42 -5.126 -2.551 5.001 1.00 0.83 H new ATOM 0 HG3 ARG A 42 -6.026 -3.193 6.360 1.00 0.83 H new ATOM 0 HD2 ARG A 42 -3.658 -4.604 6.556 1.00 1.06 H new ATOM 0 HD3 ARG A 42 -3.098 -3.071 5.918 1.00 1.06 H new ATOM 0 HE ARG A 42 -4.869 -2.425 8.009 1.00 0.88 H new ATOM 0 HH11 ARG A 42 -1.773 -4.093 7.584 1.00 1.58 H new ATOM 0 HH12 ARG A 42 -1.245 -3.758 9.236 1.00 1.58 H new ATOM 0 HH21 ARG A 42 -4.183 -2.030 10.122 1.00 1.55 H new ATOM 0 HH22 ARG A 42 -2.600 -2.598 10.662 1.00 1.55 H new ATOM 680 N LEU A 43 -7.874 -2.549 3.377 1.00 0.47 N ATOM 681 CA LEU A 43 -8.020 -1.382 2.520 1.00 0.43 C ATOM 682 C LEU A 43 -7.589 -0.128 3.264 1.00 0.47 C ATOM 683 O LEU A 43 -8.150 0.209 4.311 1.00 0.55 O ATOM 684 CB LEU A 43 -9.467 -1.250 2.043 1.00 0.44 C ATOM 685 CG LEU A 43 -9.913 -2.304 1.028 1.00 0.40 C ATOM 686 CD1 LEU A 43 -11.420 -2.239 0.828 1.00 0.50 C ATOM 687 CD2 LEU A 43 -9.190 -2.105 -0.297 1.00 0.40 C ATOM 0 H LEU A 43 -8.575 -2.621 4.114 1.00 0.47 H new ATOM 0 HA LEU A 43 -7.379 -1.506 1.647 1.00 0.43 H new ATOM 0 HB2 LEU A 43 -10.125 -1.301 2.910 1.00 0.44 H new ATOM 0 HB3 LEU A 43 -9.599 -0.263 1.600 1.00 0.44 H new ATOM 0 HG LEU A 43 -9.657 -3.290 1.415 1.00 0.40 H new ATOM 0 HD11 LEU A 43 -11.724 -2.994 0.103 1.00 0.50 H new ATOM 0 HD12 LEU A 43 -11.921 -2.425 1.778 1.00 0.50 H new ATOM 0 HD13 LEU A 43 -11.696 -1.251 0.459 1.00 0.50 H new ATOM 0 HD21 LEU A 43 -9.519 -2.863 -1.008 1.00 0.40 H new ATOM 0 HD22 LEU A 43 -9.418 -1.115 -0.691 1.00 0.40 H new ATOM 0 HD23 LEU A 43 -8.115 -2.195 -0.142 1.00 0.40 H new ATOM 699 N ILE A 44 -6.581 0.548 2.732 1.00 0.45 N ATOM 700 CA ILE A 44 -6.064 1.762 3.348 1.00 0.50 C ATOM 701 C ILE A 44 -6.295 2.973 2.449 1.00 0.52 C ATOM 702 O ILE A 44 -5.966 2.955 1.260 1.00 0.52 O ATOM 703 CB ILE A 44 -4.556 1.627 3.670 1.00 0.54 C ATOM 704 CG1 ILE A 44 -4.318 0.421 4.587 1.00 0.54 C ATOM 705 CG2 ILE A 44 -4.025 2.903 4.316 1.00 0.63 C ATOM 706 CD1 ILE A 44 -2.855 0.123 4.836 1.00 0.62 C ATOM 0 H ILE A 44 -6.104 0.276 1.873 1.00 0.45 H new ATOM 0 HA ILE A 44 -6.607 1.910 4.282 1.00 0.50 H new ATOM 0 HB ILE A 44 -4.016 1.470 2.737 1.00 0.54 H new ATOM 0 HG12 ILE A 44 -4.811 0.600 5.543 1.00 0.54 H new ATOM 0 HG13 ILE A 44 -4.788 -0.458 4.146 1.00 0.54 H new ATOM 0 HG21 ILE A 44 -2.963 2.786 4.534 1.00 0.63 H new ATOM 0 HG22 ILE A 44 -4.165 3.742 3.634 1.00 0.63 H new ATOM 0 HG23 ILE A 44 -4.567 3.094 5.242 1.00 0.63 H new ATOM 0 HD11 ILE A 44 -2.767 -0.742 5.493 1.00 0.62 H new ATOM 0 HD12 ILE A 44 -2.360 -0.089 3.888 1.00 0.62 H new ATOM 0 HD13 ILE A 44 -2.383 0.985 5.307 1.00 0.62 H new ATOM 718 N PHE A 45 -6.877 4.016 3.025 1.00 0.56 N ATOM 719 CA PHE A 45 -7.163 5.246 2.305 1.00 0.59 C ATOM 720 C PHE A 45 -6.577 6.438 3.060 1.00 0.68 C ATOM 721 O PHE A 45 -6.953 6.702 4.203 1.00 0.72 O ATOM 722 CB PHE A 45 -8.681 5.411 2.123 1.00 0.65 C ATOM 723 CG PHE A 45 -9.118 6.806 1.759 1.00 0.73 C ATOM 724 CD1 PHE A 45 -8.819 7.345 0.519 1.00 0.79 C ATOM 725 CD2 PHE A 45 -9.830 7.576 2.666 1.00 0.85 C ATOM 726 CE1 PHE A 45 -9.220 8.626 0.191 1.00 0.92 C ATOM 727 CE2 PHE A 45 -10.232 8.856 2.344 1.00 0.96 C ATOM 728 CZ PHE A 45 -9.927 9.382 1.104 1.00 0.98 C ATOM 0 H PHE A 45 -7.163 4.032 4.004 1.00 0.56 H new ATOM 0 HA PHE A 45 -6.702 5.199 1.318 1.00 0.59 H new ATOM 0 HB2 PHE A 45 -9.018 4.724 1.347 1.00 0.65 H new ATOM 0 HB3 PHE A 45 -9.179 5.117 3.047 1.00 0.65 H new ATOM 0 HD1 PHE A 45 -8.266 6.758 -0.200 1.00 0.79 H new ATOM 0 HD2 PHE A 45 -10.073 7.169 3.636 1.00 0.85 H new ATOM 0 HE1 PHE A 45 -8.980 9.035 -0.779 1.00 0.92 H new ATOM 0 HE2 PHE A 45 -10.784 9.446 3.061 1.00 0.96 H new ATOM 0 HZ PHE A 45 -10.241 10.383 0.849 1.00 0.98 H new ATOM 738 N ALA A 46 -5.625 7.122 2.423 1.00 0.79 N ATOM 739 CA ALA A 46 -4.970 8.300 3.002 1.00 0.95 C ATOM 740 C ALA A 46 -4.260 7.975 4.317 1.00 0.94 C ATOM 741 O ALA A 46 -4.053 8.854 5.155 1.00 1.10 O ATOM 742 CB ALA A 46 -5.979 9.423 3.203 1.00 1.05 C ATOM 0 H ALA A 46 -5.286 6.877 1.493 1.00 0.79 H new ATOM 0 HA ALA A 46 -4.208 8.629 2.296 1.00 0.95 H new ATOM 0 HB1 ALA A 46 -5.478 10.290 3.633 1.00 1.05 H new ATOM 0 HB2 ALA A 46 -6.416 9.696 2.242 1.00 1.05 H new ATOM 0 HB3 ALA A 46 -6.767 9.088 3.877 1.00 1.05 H new ATOM 748 N GLY A 47 -3.877 6.717 4.489 1.00 0.93 N ATOM 749 CA GLY A 47 -3.190 6.314 5.699 1.00 0.93 C ATOM 750 C GLY A 47 -4.135 5.822 6.772 1.00 0.82 C ATOM 751 O GLY A 47 -3.713 5.520 7.885 1.00 0.91 O ATOM 0 H GLY A 47 -4.030 5.969 3.812 1.00 0.93 H new ATOM 0 HA2 GLY A 47 -2.476 5.526 5.461 1.00 0.93 H new ATOM 0 HA3 GLY A 47 -2.617 7.157 6.084 1.00 0.93 H new ATOM 755 N LYS A 48 -5.416 5.753 6.446 1.00 0.78 N ATOM 756 CA LYS A 48 -6.417 5.283 7.389 1.00 0.77 C ATOM 757 C LYS A 48 -7.058 4.000 6.883 1.00 0.68 C ATOM 758 O LYS A 48 -7.334 3.863 5.691 1.00 0.61 O ATOM 759 CB LYS A 48 -7.492 6.350 7.621 1.00 0.91 C ATOM 760 CG LYS A 48 -7.242 7.218 8.845 1.00 1.51 C ATOM 761 CD LYS A 48 -6.148 8.245 8.603 1.00 2.12 C ATOM 762 CE LYS A 48 -5.881 9.079 9.847 1.00 2.92 C ATOM 763 NZ LYS A 48 -7.103 9.787 10.321 1.00 3.57 N ATOM 0 H LYS A 48 -5.787 6.017 5.533 1.00 0.78 H new ATOM 0 HA LYS A 48 -5.920 5.082 8.338 1.00 0.77 H new ATOM 0 HB2 LYS A 48 -7.552 6.989 6.740 1.00 0.91 H new ATOM 0 HB3 LYS A 48 -8.460 5.860 7.726 1.00 0.91 H new ATOM 0 HG2 LYS A 48 -8.164 7.729 9.121 1.00 1.51 H new ATOM 0 HG3 LYS A 48 -6.964 6.585 9.688 1.00 1.51 H new ATOM 0 HD2 LYS A 48 -5.232 7.738 8.300 1.00 2.12 H new ATOM 0 HD3 LYS A 48 -6.437 8.899 7.780 1.00 2.12 H new ATOM 0 HE2 LYS A 48 -5.505 8.434 10.641 1.00 2.92 H new ATOM 0 HE3 LYS A 48 -5.100 9.809 9.633 1.00 2.92 H new ATOM 0 HZ1 LYS A 48 -6.837 10.506 11.024 1.00 3.57 H new ATOM 0 HZ2 LYS A 48 -7.572 10.248 9.515 1.00 3.57 H new ATOM 0 HZ3 LYS A 48 -7.754 9.102 10.755 1.00 3.57 H new ATOM 777 N GLN A 49 -7.277 3.060 7.787 1.00 0.77 N ATOM 778 CA GLN A 49 -7.893 1.794 7.429 1.00 0.74 C ATOM 779 C GLN A 49 -9.407 1.950 7.393 1.00 0.72 C ATOM 780 O GLN A 49 -10.010 2.436 8.352 1.00 0.78 O ATOM 781 CB GLN A 49 -7.486 0.702 8.422 1.00 0.80 C ATOM 782 CG GLN A 49 -8.250 -0.603 8.253 1.00 1.06 C ATOM 783 CD GLN A 49 -7.527 -1.785 8.872 1.00 1.51 C ATOM 784 OE1 GLN A 49 -6.297 -1.847 8.871 1.00 1.83 O ATOM 785 NE2 GLN A 49 -8.283 -2.733 9.405 1.00 2.01 N ATOM 0 H GLN A 49 -7.037 3.150 8.774 1.00 0.77 H new ATOM 0 HA GLN A 49 -7.547 1.498 6.439 1.00 0.74 H new ATOM 0 HB2 GLN A 49 -6.420 0.504 8.312 1.00 0.80 H new ATOM 0 HB3 GLN A 49 -7.638 1.072 9.436 1.00 0.80 H new ATOM 0 HG2 GLN A 49 -9.235 -0.505 8.709 1.00 1.06 H new ATOM 0 HG3 GLN A 49 -8.407 -0.793 7.191 1.00 1.06 H new ATOM 0 HE21 GLN A 49 -9.299 -2.646 9.386 1.00 2.01 H new ATOM 0 HE22 GLN A 49 -7.849 -3.550 9.834 1.00 2.01 H new ATOM 794 N LEU A 50 -10.010 1.551 6.280 1.00 0.68 N ATOM 795 CA LEU A 50 -11.453 1.654 6.110 1.00 0.68 C ATOM 796 C LEU A 50 -12.181 0.698 7.049 1.00 0.71 C ATOM 797 O LEU A 50 -12.098 -0.522 6.895 1.00 0.69 O ATOM 798 CB LEU A 50 -11.839 1.356 4.659 1.00 0.64 C ATOM 799 CG LEU A 50 -11.142 2.213 3.603 1.00 0.62 C ATOM 800 CD1 LEU A 50 -11.606 1.810 2.213 1.00 0.56 C ATOM 801 CD2 LEU A 50 -11.408 3.690 3.851 1.00 0.72 C ATOM 0 H LEU A 50 -9.520 1.152 5.480 1.00 0.68 H new ATOM 0 HA LEU A 50 -11.751 2.673 6.356 1.00 0.68 H new ATOM 0 HB2 LEU A 50 -11.623 0.308 4.452 1.00 0.64 H new ATOM 0 HB3 LEU A 50 -12.916 1.486 4.554 1.00 0.64 H new ATOM 0 HG LEU A 50 -10.067 2.046 3.673 1.00 0.62 H new ATOM 0 HD11 LEU A 50 -11.103 2.427 1.468 1.00 0.56 H new ATOM 0 HD12 LEU A 50 -11.364 0.762 2.039 1.00 0.56 H new ATOM 0 HD13 LEU A 50 -12.684 1.952 2.134 1.00 0.56 H new ATOM 0 HD21 LEU A 50 -10.903 4.284 3.089 1.00 0.72 H new ATOM 0 HD22 LEU A 50 -12.481 3.879 3.807 1.00 0.72 H new ATOM 0 HD23 LEU A 50 -11.031 3.967 4.835 1.00 0.72 H new ATOM 813 N GLU A 51 -12.879 1.259 8.028 1.00 0.76 N ATOM 814 CA GLU A 51 -13.625 0.464 8.990 1.00 0.79 C ATOM 815 C GLU A 51 -14.979 0.069 8.410 1.00 0.76 C ATOM 816 O GLU A 51 -15.628 0.860 7.725 1.00 0.77 O ATOM 817 CB GLU A 51 -13.816 1.240 10.296 1.00 0.88 C ATOM 818 CG GLU A 51 -12.518 1.744 10.909 1.00 0.94 C ATOM 819 CD GLU A 51 -12.725 2.424 12.249 1.00 1.04 C ATOM 820 OE1 GLU A 51 -12.857 1.712 13.266 1.00 1.25 O ATOM 821 OE2 GLU A 51 -12.748 3.676 12.292 1.00 1.33 O ATOM 0 H GLU A 51 -12.943 2.266 8.176 1.00 0.76 H new ATOM 0 HA GLU A 51 -13.056 -0.441 9.205 1.00 0.79 H new ATOM 0 HB2 GLU A 51 -14.472 2.090 10.109 1.00 0.88 H new ATOM 0 HB3 GLU A 51 -14.322 0.599 11.018 1.00 0.88 H new ATOM 0 HG2 GLU A 51 -11.832 0.907 11.034 1.00 0.94 H new ATOM 0 HG3 GLU A 51 -12.045 2.444 10.221 1.00 0.94 H new ATOM 828 N ASP A 52 -15.405 -1.155 8.702 1.00 0.77 N ATOM 829 CA ASP A 52 -16.679 -1.681 8.203 1.00 0.77 C ATOM 830 C ASP A 52 -17.874 -0.851 8.667 1.00 0.82 C ATOM 831 O ASP A 52 -18.914 -0.835 8.010 1.00 0.81 O ATOM 832 CB ASP A 52 -16.871 -3.132 8.653 1.00 0.81 C ATOM 833 CG ASP A 52 -16.922 -3.274 10.162 1.00 1.32 C ATOM 834 OD1 ASP A 52 -18.015 -3.126 10.749 1.00 1.66 O ATOM 835 OD2 ASP A 52 -15.859 -3.528 10.772 1.00 1.87 O ATOM 0 H ASP A 52 -14.885 -1.809 9.286 1.00 0.77 H new ATOM 0 HA ASP A 52 -16.634 -1.629 7.115 1.00 0.77 H new ATOM 0 HB2 ASP A 52 -17.794 -3.522 8.224 1.00 0.81 H new ATOM 0 HB3 ASP A 52 -16.055 -3.740 8.262 1.00 0.81 H new ATOM 840 N GLY A 53 -17.718 -0.151 9.784 1.00 0.93 N ATOM 841 CA GLY A 53 -18.809 0.647 10.315 1.00 1.01 C ATOM 842 C GLY A 53 -18.934 2.008 9.664 1.00 0.95 C ATOM 843 O GLY A 53 -19.736 2.835 10.100 1.00 1.04 O ATOM 0 H GLY A 53 -16.858 -0.121 10.331 1.00 0.93 H new ATOM 0 HA2 GLY A 53 -19.744 0.103 10.183 1.00 1.01 H new ATOM 0 HA3 GLY A 53 -18.665 0.778 11.387 1.00 1.01 H new ATOM 847 N ARG A 54 -18.157 2.247 8.621 1.00 0.92 N ATOM 848 CA ARG A 54 -18.195 3.523 7.925 1.00 0.87 C ATOM 849 C ARG A 54 -18.550 3.327 6.459 1.00 0.83 C ATOM 850 O ARG A 54 -18.610 2.198 5.963 1.00 0.82 O ATOM 851 CB ARG A 54 -16.846 4.236 8.019 1.00 0.87 C ATOM 852 CG ARG A 54 -16.074 3.941 9.292 1.00 0.92 C ATOM 853 CD ARG A 54 -16.180 5.071 10.296 1.00 1.02 C ATOM 854 NE ARG A 54 -14.922 5.267 11.009 1.00 1.23 N ATOM 855 CZ ARG A 54 -14.179 6.368 10.923 1.00 1.64 C ATOM 856 NH1 ARG A 54 -14.558 7.378 10.150 1.00 1.89 N ATOM 857 NH2 ARG A 54 -13.047 6.449 11.601 1.00 1.95 N ATOM 0 H ARG A 54 -17.492 1.575 8.237 1.00 0.92 H new ATOM 0 HA ARG A 54 -18.959 4.134 8.405 1.00 0.87 H new ATOM 0 HB2 ARG A 54 -16.236 3.949 7.163 1.00 0.87 H new ATOM 0 HB3 ARG A 54 -17.010 5.311 7.948 1.00 0.87 H new ATOM 0 HG2 ARG A 54 -16.451 3.022 9.740 1.00 0.92 H new ATOM 0 HG3 ARG A 54 -15.025 3.770 9.048 1.00 0.92 H new ATOM 0 HD2 ARG A 54 -16.457 5.992 9.782 1.00 1.02 H new ATOM 0 HD3 ARG A 54 -16.975 4.853 11.010 1.00 1.02 H new ATOM 0 HE ARG A 54 -14.591 4.513 11.611 1.00 1.23 H new ATOM 0 HH11 ARG A 54 -15.425 7.314 9.616 1.00 1.89 H new ATOM 0 HH12 ARG A 54 -13.983 8.218 10.090 1.00 1.89 H new ATOM 0 HH21 ARG A 54 -12.746 5.670 12.187 1.00 1.95 H new ATOM 0 HH22 ARG A 54 -12.474 7.291 11.538 1.00 1.95 H new ATOM 871 N THR A 55 -18.787 4.433 5.775 1.00 0.84 N ATOM 872 CA THR A 55 -19.125 4.407 4.366 1.00 0.82 C ATOM 873 C THR A 55 -18.126 5.242 3.577 1.00 0.80 C ATOM 874 O THR A 55 -17.204 5.828 4.150 1.00 0.83 O ATOM 875 CB THR A 55 -20.534 4.973 4.122 1.00 0.89 C ATOM 876 OG1 THR A 55 -20.685 6.210 4.832 1.00 1.07 O ATOM 877 CG2 THR A 55 -21.608 3.991 4.564 1.00 0.85 C ATOM 0 H THR A 55 -18.750 5.369 6.180 1.00 0.84 H new ATOM 0 HA THR A 55 -19.095 3.368 4.038 1.00 0.82 H new ATOM 0 HB THR A 55 -20.653 5.144 3.052 1.00 0.89 H new ATOM 0 HG1 THR A 55 -21.583 6.570 4.674 1.00 1.07 H new ATOM 0 HG21 THR A 55 -22.592 4.421 4.378 1.00 0.85 H new ATOM 0 HG22 THR A 55 -21.505 3.063 4.002 1.00 0.85 H new ATOM 0 HG23 THR A 55 -21.497 3.785 5.629 1.00 0.85 H new ATOM 885 N LEU A 56 -18.314 5.305 2.268 1.00 0.78 N ATOM 886 CA LEU A 56 -17.435 6.087 1.412 1.00 0.77 C ATOM 887 C LEU A 56 -17.643 7.578 1.675 1.00 0.83 C ATOM 888 O LEU A 56 -16.702 8.376 1.632 1.00 0.88 O ATOM 889 CB LEU A 56 -17.708 5.757 -0.055 1.00 0.77 C ATOM 890 CG LEU A 56 -17.620 4.269 -0.408 1.00 0.73 C ATOM 891 CD1 LEU A 56 -18.505 3.949 -1.599 1.00 0.91 C ATOM 892 CD2 LEU A 56 -16.180 3.870 -0.696 1.00 1.12 C ATOM 0 H LEU A 56 -19.067 4.824 1.775 1.00 0.78 H new ATOM 0 HA LEU A 56 -16.398 5.836 1.637 1.00 0.77 H new ATOM 0 HB2 LEU A 56 -18.703 6.119 -0.315 1.00 0.77 H new ATOM 0 HB3 LEU A 56 -16.998 6.305 -0.674 1.00 0.77 H new ATOM 0 HG LEU A 56 -17.972 3.695 0.449 1.00 0.73 H new ATOM 0 HD11 LEU A 56 -18.429 2.887 -1.834 1.00 0.91 H new ATOM 0 HD12 LEU A 56 -19.540 4.194 -1.360 1.00 0.91 H new ATOM 0 HD13 LEU A 56 -18.183 4.535 -2.460 1.00 0.91 H new ATOM 0 HD21 LEU A 56 -16.139 2.810 -0.945 1.00 1.12 H new ATOM 0 HD22 LEU A 56 -15.801 4.454 -1.535 1.00 1.12 H new ATOM 0 HD23 LEU A 56 -15.567 4.060 0.185 1.00 1.12 H new ATOM 904 N SER A 57 -18.886 7.941 1.972 1.00 0.84 N ATOM 905 CA SER A 57 -19.239 9.324 2.254 1.00 0.90 C ATOM 906 C SER A 57 -18.675 9.769 3.601 1.00 0.95 C ATOM 907 O SER A 57 -18.304 10.931 3.775 1.00 1.03 O ATOM 908 CB SER A 57 -20.758 9.484 2.245 1.00 0.93 C ATOM 909 OG SER A 57 -21.378 8.405 1.565 1.00 1.15 O ATOM 0 H SER A 57 -19.670 7.290 2.023 1.00 0.84 H new ATOM 0 HA SER A 57 -18.804 9.954 1.478 1.00 0.90 H new ATOM 0 HB2 SER A 57 -21.128 9.534 3.269 1.00 0.93 H new ATOM 0 HB3 SER A 57 -21.025 10.424 1.763 1.00 0.93 H new ATOM 0 HG SER A 57 -22.350 8.528 1.574 1.00 1.15 H new ATOM 915 N ASP A 58 -18.595 8.833 4.544 1.00 0.93 N ATOM 916 CA ASP A 58 -18.081 9.130 5.881 1.00 0.99 C ATOM 917 C ASP A 58 -16.605 9.515 5.829 1.00 0.99 C ATOM 918 O ASP A 58 -16.156 10.383 6.574 1.00 1.06 O ATOM 919 CB ASP A 58 -18.269 7.934 6.819 1.00 1.04 C ATOM 920 CG ASP A 58 -17.728 8.205 8.213 1.00 1.27 C ATOM 921 OD1 ASP A 58 -18.361 8.982 8.960 1.00 1.93 O ATOM 922 OD2 ASP A 58 -16.674 7.642 8.568 1.00 1.45 O ATOM 0 H ASP A 58 -18.879 7.863 4.408 1.00 0.93 H new ATOM 0 HA ASP A 58 -18.650 9.975 6.269 1.00 0.99 H new ATOM 0 HB2 ASP A 58 -19.329 7.689 6.884 1.00 1.04 H new ATOM 0 HB3 ASP A 58 -17.766 7.063 6.399 1.00 1.04 H new ATOM 927 N TYR A 59 -15.855 8.877 4.941 1.00 0.95 N ATOM 928 CA TYR A 59 -14.435 9.173 4.802 1.00 0.97 C ATOM 929 C TYR A 59 -14.209 10.310 3.811 1.00 1.00 C ATOM 930 O TYR A 59 -13.072 10.718 3.578 1.00 1.06 O ATOM 931 CB TYR A 59 -13.666 7.934 4.344 1.00 0.94 C ATOM 932 CG TYR A 59 -13.442 6.912 5.434 1.00 0.89 C ATOM 933 CD1 TYR A 59 -12.608 7.186 6.510 1.00 0.91 C ATOM 934 CD2 TYR A 59 -14.061 5.673 5.382 1.00 0.87 C ATOM 935 CE1 TYR A 59 -12.399 6.252 7.505 1.00 0.91 C ATOM 936 CE2 TYR A 59 -13.858 4.734 6.371 1.00 0.88 C ATOM 937 CZ TYR A 59 -13.027 5.027 7.430 1.00 0.88 C ATOM 938 OH TYR A 59 -12.828 4.092 8.419 1.00 0.93 O ATOM 0 H TYR A 59 -16.203 8.155 4.309 1.00 0.95 H new ATOM 0 HA TYR A 59 -14.065 9.480 5.780 1.00 0.97 H new ATOM 0 HB2 TYR A 59 -14.210 7.463 3.525 1.00 0.94 H new ATOM 0 HB3 TYR A 59 -12.699 8.245 3.947 1.00 0.94 H new ATOM 0 HD1 TYR A 59 -12.115 8.145 6.569 1.00 0.91 H new ATOM 0 HD2 TYR A 59 -14.713 5.439 4.553 1.00 0.87 H new ATOM 0 HE1 TYR A 59 -11.748 6.479 8.336 1.00 0.91 H new ATOM 0 HE2 TYR A 59 -14.348 3.773 6.316 1.00 0.88 H new ATOM 0 HH TYR A 59 -12.653 4.547 9.269 1.00 0.93 H new ATOM 948 N ASN A 60 -15.303 10.817 3.236 1.00 0.98 N ATOM 949 CA ASN A 60 -15.244 11.904 2.258 1.00 1.03 C ATOM 950 C ASN A 60 -14.369 11.488 1.079 1.00 1.00 C ATOM 951 O ASN A 60 -13.460 12.209 0.663 1.00 1.07 O ATOM 952 CB ASN A 60 -14.713 13.197 2.901 1.00 1.14 C ATOM 953 CG ASN A 60 -15.094 14.447 2.122 1.00 1.17 C ATOM 954 OD1 ASN A 60 -14.402 14.850 1.186 1.00 1.43 O ATOM 955 ND2 ASN A 60 -16.189 15.081 2.514 1.00 1.27 N ATOM 0 H ASN A 60 -16.248 10.488 3.434 1.00 0.98 H new ATOM 0 HA ASN A 60 -16.253 12.105 1.898 1.00 1.03 H new ATOM 0 HB2 ASN A 60 -15.100 13.277 3.917 1.00 1.14 H new ATOM 0 HB3 ASN A 60 -13.627 13.139 2.977 1.00 1.14 H new ATOM 0 HD21 ASN A 60 -16.484 15.933 2.036 1.00 1.27 H new ATOM 0 HD22 ASN A 60 -16.737 14.718 3.293 1.00 1.27 H new ATOM 962 N ILE A 61 -14.640 10.305 0.551 1.00 0.92 N ATOM 963 CA ILE A 61 -13.874 9.784 -0.568 1.00 0.90 C ATOM 964 C ILE A 61 -14.411 10.317 -1.889 1.00 0.96 C ATOM 965 O ILE A 61 -15.562 10.073 -2.251 1.00 1.00 O ATOM 966 CB ILE A 61 -13.882 8.241 -0.596 1.00 0.82 C ATOM 967 CG1 ILE A 61 -13.449 7.685 0.763 1.00 0.81 C ATOM 968 CG2 ILE A 61 -12.969 7.723 -1.702 1.00 0.83 C ATOM 969 CD1 ILE A 61 -13.488 6.175 0.851 1.00 0.77 C ATOM 0 H ILE A 61 -15.384 9.689 0.879 1.00 0.92 H new ATOM 0 HA ILE A 61 -12.846 10.122 -0.434 1.00 0.90 H new ATOM 0 HB ILE A 61 -14.897 7.901 -0.803 1.00 0.82 H new ATOM 0 HG12 ILE A 61 -12.436 8.025 0.977 1.00 0.81 H new ATOM 0 HG13 ILE A 61 -14.095 8.101 1.537 1.00 0.81 H new ATOM 0 HG21 ILE A 61 -12.986 6.633 -1.708 1.00 0.83 H new ATOM 0 HG22 ILE A 61 -13.316 8.096 -2.665 1.00 0.83 H new ATOM 0 HG23 ILE A 61 -11.951 8.069 -1.525 1.00 0.83 H new ATOM 0 HD11 ILE A 61 -13.167 5.860 1.844 1.00 0.77 H new ATOM 0 HD12 ILE A 61 -14.505 5.826 0.670 1.00 0.77 H new ATOM 0 HD13 ILE A 61 -12.820 5.750 0.102 1.00 0.77 H new ATOM 981 N GLN A 62 -13.574 11.065 -2.589 1.00 1.01 N ATOM 982 CA GLN A 62 -13.944 11.627 -3.877 1.00 1.09 C ATOM 983 C GLN A 62 -13.923 10.532 -4.940 1.00 1.01 C ATOM 984 O GLN A 62 -13.275 9.500 -4.760 1.00 0.95 O ATOM 985 CB GLN A 62 -12.977 12.756 -4.250 1.00 1.21 C ATOM 986 CG GLN A 62 -13.666 14.044 -4.676 1.00 1.47 C ATOM 987 CD GLN A 62 -14.251 13.956 -6.068 1.00 1.79 C ATOM 988 OE1 GLN A 62 -15.399 13.550 -6.248 1.00 2.18 O ATOM 989 NE2 GLN A 62 -13.463 14.328 -7.064 1.00 2.18 N ATOM 0 H GLN A 62 -12.629 11.298 -2.285 1.00 1.01 H new ATOM 0 HA GLN A 62 -14.951 12.039 -3.817 1.00 1.09 H new ATOM 0 HB2 GLN A 62 -12.333 12.966 -3.396 1.00 1.21 H new ATOM 0 HB3 GLN A 62 -12.332 12.416 -5.060 1.00 1.21 H new ATOM 0 HG2 GLN A 62 -14.459 14.280 -3.966 1.00 1.47 H new ATOM 0 HG3 GLN A 62 -12.950 14.865 -4.638 1.00 1.47 H new ATOM 0 HE21 GLN A 62 -12.518 14.659 -6.870 1.00 2.18 H new ATOM 0 HE22 GLN A 62 -13.801 14.284 -8.025 1.00 2.18 H new ATOM 998 N LYS A 63 -14.633 10.750 -6.035 1.00 1.04 N ATOM 999 CA LYS A 63 -14.682 9.770 -7.112 1.00 1.05 C ATOM 1000 C LYS A 63 -13.359 9.746 -7.873 1.00 0.99 C ATOM 1001 O LYS A 63 -12.615 10.731 -7.860 1.00 1.00 O ATOM 1002 CB LYS A 63 -15.838 10.084 -8.067 1.00 1.19 C ATOM 1003 CG LYS A 63 -15.792 11.492 -8.643 1.00 1.25 C ATOM 1004 CD LYS A 63 -17.183 12.095 -8.756 1.00 1.54 C ATOM 1005 CE LYS A 63 -17.115 13.581 -9.059 1.00 1.61 C ATOM 1006 NZ LYS A 63 -18.448 14.233 -8.986 1.00 2.42 N ATOM 0 H LYS A 63 -15.182 11.593 -6.203 1.00 1.04 H new ATOM 0 HA LYS A 63 -14.849 8.785 -6.675 1.00 1.05 H new ATOM 0 HB2 LYS A 63 -15.826 9.365 -8.886 1.00 1.19 H new ATOM 0 HB3 LYS A 63 -16.781 9.948 -7.538 1.00 1.19 H new ATOM 0 HG2 LYS A 63 -15.171 12.125 -8.010 1.00 1.25 H new ATOM 0 HG3 LYS A 63 -15.324 11.468 -9.627 1.00 1.25 H new ATOM 0 HD2 LYS A 63 -17.740 11.586 -9.543 1.00 1.54 H new ATOM 0 HD3 LYS A 63 -17.728 11.936 -7.826 1.00 1.54 H new ATOM 0 HE2 LYS A 63 -16.438 14.063 -8.353 1.00 1.61 H new ATOM 0 HE3 LYS A 63 -16.695 13.728 -10.054 1.00 1.61 H new ATOM 0 HZ1 LYS A 63 -18.351 15.246 -9.200 1.00 2.42 H new ATOM 0 HZ2 LYS A 63 -19.088 13.793 -9.677 1.00 2.42 H new ATOM 0 HZ3 LYS A 63 -18.839 14.117 -8.029 1.00 2.42 H new ATOM 1020 N GLU A 64 -13.070 8.612 -8.517 1.00 1.01 N ATOM 1021 CA GLU A 64 -11.842 8.435 -9.298 1.00 1.02 C ATOM 1022 C GLU A 64 -10.601 8.527 -8.410 1.00 0.93 C ATOM 1023 O GLU A 64 -9.532 8.955 -8.852 1.00 1.02 O ATOM 1024 CB GLU A 64 -11.759 9.472 -10.424 1.00 1.16 C ATOM 1025 CG GLU A 64 -13.006 9.540 -11.285 1.00 1.41 C ATOM 1026 CD GLU A 64 -13.020 10.761 -12.178 1.00 1.38 C ATOM 1027 OE1 GLU A 64 -13.523 11.818 -11.743 1.00 2.13 O ATOM 1028 OE2 GLU A 64 -12.546 10.668 -13.328 1.00 1.50 O ATOM 0 H GLU A 64 -13.678 7.793 -8.512 1.00 1.01 H new ATOM 0 HA GLU A 64 -11.875 7.439 -9.739 1.00 1.02 H new ATOM 0 HB2 GLU A 64 -11.575 10.454 -9.988 1.00 1.16 H new ATOM 0 HB3 GLU A 64 -10.903 9.239 -11.058 1.00 1.16 H new ATOM 0 HG2 GLU A 64 -13.070 8.642 -11.900 1.00 1.41 H new ATOM 0 HG3 GLU A 64 -13.888 9.551 -10.644 1.00 1.41 H new ATOM 1035 N SER A 65 -10.742 8.105 -7.165 1.00 0.88 N ATOM 1036 CA SER A 65 -9.644 8.147 -6.215 1.00 0.92 C ATOM 1037 C SER A 65 -8.859 6.840 -6.231 1.00 0.80 C ATOM 1038 O SER A 65 -9.389 5.786 -6.598 1.00 0.74 O ATOM 1039 CB SER A 65 -10.188 8.421 -4.815 1.00 1.08 C ATOM 1040 OG SER A 65 -11.366 7.673 -4.577 1.00 1.07 O ATOM 0 H SER A 65 -11.611 7.727 -6.787 1.00 0.88 H new ATOM 0 HA SER A 65 -8.965 8.950 -6.502 1.00 0.92 H new ATOM 0 HB2 SER A 65 -9.434 8.166 -4.071 1.00 1.08 H new ATOM 0 HB3 SER A 65 -10.399 9.485 -4.704 1.00 1.08 H new ATOM 0 HG SER A 65 -12.100 8.282 -4.353 1.00 1.07 H new ATOM 1046 N THR A 66 -7.598 6.916 -5.835 1.00 0.82 N ATOM 1047 CA THR A 66 -6.739 5.747 -5.799 1.00 0.77 C ATOM 1048 C THR A 66 -6.674 5.160 -4.390 1.00 0.67 C ATOM 1049 O THR A 66 -6.239 5.822 -3.446 1.00 0.72 O ATOM 1050 CB THR A 66 -5.311 6.088 -6.272 1.00 0.95 C ATOM 1051 OG1 THR A 66 -5.346 7.206 -7.171 1.00 1.11 O ATOM 1052 CG2 THR A 66 -4.670 4.896 -6.967 1.00 1.37 C ATOM 0 H THR A 66 -7.147 7.780 -5.533 1.00 0.82 H new ATOM 0 HA THR A 66 -7.171 5.010 -6.477 1.00 0.77 H new ATOM 0 HB THR A 66 -4.714 6.342 -5.396 1.00 0.95 H new ATOM 0 HG1 THR A 66 -5.047 8.013 -6.702 1.00 1.11 H new ATOM 0 HG21 THR A 66 -3.664 5.162 -7.291 1.00 1.37 H new ATOM 0 HG22 THR A 66 -4.618 4.056 -6.275 1.00 1.37 H new ATOM 0 HG23 THR A 66 -5.268 4.615 -7.834 1.00 1.37 H new ATOM 1060 N LEU A 67 -7.121 3.922 -4.251 1.00 0.60 N ATOM 1061 CA LEU A 67 -7.107 3.238 -2.968 1.00 0.54 C ATOM 1062 C LEU A 67 -6.010 2.186 -2.976 1.00 0.48 C ATOM 1063 O LEU A 67 -5.497 1.831 -4.036 1.00 0.51 O ATOM 1064 CB LEU A 67 -8.463 2.589 -2.681 1.00 0.53 C ATOM 1065 CG LEU A 67 -9.407 3.412 -1.798 1.00 0.60 C ATOM 1066 CD1 LEU A 67 -9.795 4.718 -2.480 1.00 0.73 C ATOM 1067 CD2 LEU A 67 -10.648 2.602 -1.459 1.00 0.77 C ATOM 0 H LEU A 67 -7.501 3.367 -5.018 1.00 0.60 H new ATOM 0 HA LEU A 67 -6.911 3.965 -2.180 1.00 0.54 H new ATOM 0 HB2 LEU A 67 -8.961 2.390 -3.630 1.00 0.53 H new ATOM 0 HB3 LEU A 67 -8.292 1.625 -2.202 1.00 0.53 H new ATOM 0 HG LEU A 67 -8.882 3.657 -0.875 1.00 0.60 H new ATOM 0 HD11 LEU A 67 -10.465 5.282 -1.831 1.00 0.73 H new ATOM 0 HD12 LEU A 67 -8.899 5.307 -2.676 1.00 0.73 H new ATOM 0 HD13 LEU A 67 -10.299 4.501 -3.422 1.00 0.73 H new ATOM 0 HD21 LEU A 67 -11.311 3.197 -0.831 1.00 0.77 H new ATOM 0 HD22 LEU A 67 -11.167 2.329 -2.378 1.00 0.77 H new ATOM 0 HD23 LEU A 67 -10.357 1.698 -0.924 1.00 0.77 H new ATOM 1079 N HIS A 68 -5.640 1.692 -1.806 1.00 0.49 N ATOM 1080 CA HIS A 68 -4.587 0.690 -1.720 1.00 0.49 C ATOM 1081 C HIS A 68 -5.084 -0.583 -1.057 1.00 0.46 C ATOM 1082 O HIS A 68 -5.626 -0.551 0.052 1.00 0.50 O ATOM 1083 CB HIS A 68 -3.380 1.245 -0.960 1.00 0.61 C ATOM 1084 CG HIS A 68 -2.583 2.231 -1.755 1.00 1.03 C ATOM 1085 ND1 HIS A 68 -1.349 1.940 -2.293 1.00 1.45 N ATOM 1086 CD2 HIS A 68 -2.858 3.505 -2.120 1.00 1.62 C ATOM 1087 CE1 HIS A 68 -0.904 2.990 -2.958 1.00 2.01 C ATOM 1088 NE2 HIS A 68 -1.801 3.954 -2.870 1.00 2.11 N ATOM 0 H HIS A 68 -6.047 1.964 -0.911 1.00 0.49 H new ATOM 0 HA HIS A 68 -4.282 0.443 -2.737 1.00 0.49 H new ATOM 0 HB2 HIS A 68 -3.725 1.722 -0.043 1.00 0.61 H new ATOM 0 HB3 HIS A 68 -2.733 0.418 -0.666 1.00 0.61 H new ATOM 0 HD2 HIS A 68 -3.746 4.065 -1.867 1.00 1.62 H new ATOM 0 HE1 HIS A 68 0.036 3.050 -3.486 1.00 2.01 H new ATOM 0 HE2 HIS A 68 -1.721 4.880 -3.290 1.00 2.11 H new ATOM 1097 N LEU A 69 -4.900 -1.696 -1.754 1.00 0.44 N ATOM 1098 CA LEU A 69 -5.312 -2.997 -1.255 1.00 0.44 C ATOM 1099 C LEU A 69 -4.102 -3.764 -0.739 1.00 0.49 C ATOM 1100 O LEU A 69 -3.216 -4.148 -1.506 1.00 0.52 O ATOM 1101 CB LEU A 69 -6.021 -3.795 -2.352 1.00 0.48 C ATOM 1102 CG LEU A 69 -6.264 -5.276 -2.046 1.00 0.57 C ATOM 1103 CD1 LEU A 69 -7.152 -5.437 -0.820 1.00 0.57 C ATOM 1104 CD2 LEU A 69 -6.889 -5.964 -3.248 1.00 0.64 C ATOM 0 H LEU A 69 -4.463 -1.721 -2.676 1.00 0.44 H new ATOM 0 HA LEU A 69 -6.013 -2.849 -0.433 1.00 0.44 H new ATOM 0 HB2 LEU A 69 -6.982 -3.323 -2.555 1.00 0.48 H new ATOM 0 HB3 LEU A 69 -5.431 -3.724 -3.266 1.00 0.48 H new ATOM 0 HG LEU A 69 -5.304 -5.745 -1.833 1.00 0.57 H new ATOM 0 HD11 LEU A 69 -7.311 -6.497 -0.622 1.00 0.57 H new ATOM 0 HD12 LEU A 69 -6.670 -4.975 0.042 1.00 0.57 H new ATOM 0 HD13 LEU A 69 -8.112 -4.954 -1.000 1.00 0.57 H new ATOM 0 HD21 LEU A 69 -7.057 -7.016 -3.018 1.00 0.64 H new ATOM 0 HD22 LEU A 69 -7.840 -5.488 -3.486 1.00 0.64 H new ATOM 0 HD23 LEU A 69 -6.219 -5.882 -4.104 1.00 0.64 H new ATOM 1116 N VAL A 70 -4.073 -3.968 0.565 1.00 0.56 N ATOM 1117 CA VAL A 70 -2.983 -4.673 1.216 1.00 0.66 C ATOM 1118 C VAL A 70 -3.497 -5.974 1.827 1.00 0.74 C ATOM 1119 O VAL A 70 -4.691 -6.115 2.087 1.00 0.92 O ATOM 1120 CB VAL A 70 -2.348 -3.802 2.327 1.00 0.71 C ATOM 1121 CG1 VAL A 70 -0.976 -4.326 2.719 1.00 0.99 C ATOM 1122 CG2 VAL A 70 -2.258 -2.346 1.891 1.00 0.97 C ATOM 0 H VAL A 70 -4.803 -3.650 1.203 1.00 0.56 H new ATOM 0 HA VAL A 70 -2.224 -4.893 0.465 1.00 0.66 H new ATOM 0 HB VAL A 70 -2.995 -3.859 3.202 1.00 0.71 H new ATOM 0 HG11 VAL A 70 -0.555 -3.694 3.501 1.00 0.99 H new ATOM 0 HG12 VAL A 70 -1.068 -5.347 3.088 1.00 0.99 H new ATOM 0 HG13 VAL A 70 -0.319 -4.313 1.849 1.00 0.99 H new ATOM 0 HG21 VAL A 70 -1.809 -1.754 2.689 1.00 0.97 H new ATOM 0 HG22 VAL A 70 -1.643 -2.272 0.994 1.00 0.97 H new ATOM 0 HG23 VAL A 70 -3.258 -1.968 1.678 1.00 0.97 H new ATOM 1132 N LEU A 71 -2.604 -6.929 2.029 1.00 0.77 N ATOM 1133 CA LEU A 71 -2.975 -8.204 2.625 1.00 0.87 C ATOM 1134 C LEU A 71 -2.606 -8.202 4.106 1.00 0.90 C ATOM 1135 O LEU A 71 -1.842 -7.345 4.549 1.00 1.01 O ATOM 1136 CB LEU A 71 -2.281 -9.365 1.899 1.00 0.95 C ATOM 1137 CG LEU A 71 -2.785 -9.648 0.478 1.00 1.05 C ATOM 1138 CD1 LEU A 71 -2.037 -8.800 -0.541 1.00 1.26 C ATOM 1139 CD2 LEU A 71 -2.644 -11.126 0.148 1.00 1.52 C ATOM 0 H LEU A 71 -1.616 -6.846 1.789 1.00 0.77 H new ATOM 0 HA LEU A 71 -4.052 -8.341 2.525 1.00 0.87 H new ATOM 0 HB2 LEU A 71 -1.212 -9.155 1.852 1.00 0.95 H new ATOM 0 HB3 LEU A 71 -2.402 -10.269 2.496 1.00 0.95 H new ATOM 0 HG LEU A 71 -3.841 -9.382 0.432 1.00 1.05 H new ATOM 0 HD11 LEU A 71 -2.412 -9.018 -1.541 1.00 1.26 H new ATOM 0 HD12 LEU A 71 -2.190 -7.744 -0.318 1.00 1.26 H new ATOM 0 HD13 LEU A 71 -0.973 -9.030 -0.494 1.00 1.26 H new ATOM 0 HD21 LEU A 71 -3.006 -11.309 -0.864 1.00 1.52 H new ATOM 0 HD22 LEU A 71 -1.595 -11.416 0.216 1.00 1.52 H new ATOM 0 HD23 LEU A 71 -3.229 -11.714 0.855 1.00 1.52 H new ATOM 1151 N ARG A 72 -3.153 -9.144 4.868 1.00 0.98 N ATOM 1152 CA ARG A 72 -2.874 -9.233 6.301 1.00 1.06 C ATOM 1153 C ARG A 72 -1.381 -9.410 6.578 1.00 0.98 C ATOM 1154 O ARG A 72 -0.662 -10.037 5.800 1.00 0.98 O ATOM 1155 CB ARG A 72 -3.662 -10.385 6.937 1.00 1.26 C ATOM 1156 CG ARG A 72 -3.217 -11.773 6.487 1.00 1.27 C ATOM 1157 CD ARG A 72 -3.749 -12.854 7.419 1.00 1.51 C ATOM 1158 NE ARG A 72 -3.511 -14.208 6.910 1.00 1.92 N ATOM 1159 CZ ARG A 72 -4.354 -15.233 7.083 1.00 2.21 C ATOM 1160 NH1 ARG A 72 -5.495 -15.066 7.750 1.00 2.37 N ATOM 1161 NH2 ARG A 72 -4.055 -16.428 6.591 1.00 2.72 N ATOM 0 H ARG A 72 -3.793 -9.858 4.519 1.00 0.98 H new ATOM 0 HA ARG A 72 -3.192 -8.292 6.749 1.00 1.06 H new ATOM 0 HB2 ARG A 72 -3.568 -10.320 8.021 1.00 1.26 H new ATOM 0 HB3 ARG A 72 -4.719 -10.261 6.701 1.00 1.26 H new ATOM 0 HG2 ARG A 72 -3.569 -11.959 5.472 1.00 1.27 H new ATOM 0 HG3 ARG A 72 -2.128 -11.817 6.460 1.00 1.27 H new ATOM 0 HD2 ARG A 72 -3.277 -12.750 8.396 1.00 1.51 H new ATOM 0 HD3 ARG A 72 -4.819 -12.708 7.564 1.00 1.51 H new ATOM 0 HE ARG A 72 -2.649 -14.380 6.392 1.00 1.92 H new ATOM 0 HH11 ARG A 72 -5.732 -14.151 8.134 1.00 2.37 H new ATOM 0 HH12 ARG A 72 -6.131 -15.853 7.877 1.00 2.37 H new ATOM 0 HH21 ARG A 72 -3.183 -16.566 6.081 1.00 2.72 H new ATOM 0 HH22 ARG A 72 -4.697 -17.209 6.723 1.00 2.72 H new ATOM 1175 N LEU A 73 -0.916 -8.831 7.678 1.00 1.04 N ATOM 1176 CA LEU A 73 0.488 -8.935 8.057 1.00 1.05 C ATOM 1177 C LEU A 73 0.702 -10.170 8.913 1.00 1.17 C ATOM 1178 O LEU A 73 1.653 -10.927 8.711 1.00 1.27 O ATOM 1179 CB LEU A 73 0.942 -7.683 8.817 1.00 1.16 C ATOM 1180 CG LEU A 73 2.410 -7.680 9.258 1.00 1.25 C ATOM 1181 CD1 LEU A 73 3.334 -7.705 8.050 1.00 1.23 C ATOM 1182 CD2 LEU A 73 2.700 -6.466 10.125 1.00 1.44 C ATOM 0 H LEU A 73 -1.489 -8.286 8.322 1.00 1.04 H new ATOM 0 HA LEU A 73 1.085 -9.019 7.149 1.00 1.05 H new ATOM 0 HB2 LEU A 73 0.768 -6.812 8.186 1.00 1.16 H new ATOM 0 HB3 LEU A 73 0.314 -7.567 9.700 1.00 1.16 H new ATOM 0 HG LEU A 73 2.594 -8.579 9.847 1.00 1.25 H new ATOM 0 HD11 LEU A 73 4.371 -7.702 8.385 1.00 1.23 H new ATOM 0 HD12 LEU A 73 3.144 -8.605 7.465 1.00 1.23 H new ATOM 0 HD13 LEU A 73 3.150 -6.826 7.433 1.00 1.23 H new ATOM 0 HD21 LEU A 73 3.746 -6.478 10.430 1.00 1.44 H new ATOM 0 HD22 LEU A 73 2.498 -5.557 9.558 1.00 1.44 H new ATOM 0 HD23 LEU A 73 2.064 -6.490 11.010 1.00 1.44 H new ATOM 1194 N ARG A 74 -0.195 -10.371 9.864 1.00 1.29 N ATOM 1195 CA ARG A 74 -0.120 -11.513 10.759 1.00 1.48 C ATOM 1196 C ARG A 74 -1.410 -12.314 10.686 1.00 1.52 C ATOM 1197 O ARG A 74 -2.453 -11.787 10.291 1.00 1.42 O ATOM 1198 CB ARG A 74 0.126 -11.053 12.198 1.00 1.65 C ATOM 1199 CG ARG A 74 1.419 -10.277 12.374 1.00 1.66 C ATOM 1200 CD ARG A 74 1.604 -9.801 13.804 1.00 1.87 C ATOM 1201 NE ARG A 74 2.842 -9.040 13.966 1.00 2.02 N ATOM 1202 CZ ARG A 74 4.016 -9.580 14.291 1.00 2.49 C ATOM 1203 NH1 ARG A 74 4.110 -10.884 14.527 1.00 3.05 N ATOM 1204 NH2 ARG A 74 5.094 -8.809 14.392 1.00 2.67 N ATOM 0 H ARG A 74 -0.988 -9.754 10.036 1.00 1.29 H new ATOM 0 HA ARG A 74 0.713 -12.143 10.448 1.00 1.48 H new ATOM 0 HB2 ARG A 74 -0.709 -10.430 12.519 1.00 1.65 H new ATOM 0 HB3 ARG A 74 0.143 -11.925 12.852 1.00 1.65 H new ATOM 0 HG2 ARG A 74 2.262 -10.907 12.089 1.00 1.66 H new ATOM 0 HG3 ARG A 74 1.421 -9.418 11.702 1.00 1.66 H new ATOM 0 HD2 ARG A 74 0.756 -9.181 14.094 1.00 1.87 H new ATOM 0 HD3 ARG A 74 1.615 -10.660 14.475 1.00 1.87 H new ATOM 0 HE ARG A 74 2.805 -8.031 13.821 1.00 2.02 H new ATOM 0 HH11 ARG A 74 3.282 -11.475 14.460 1.00 3.05 H new ATOM 0 HH12 ARG A 74 5.010 -11.294 14.776 1.00 3.05 H new ATOM 0 HH21 ARG A 74 5.022 -7.806 14.221 1.00 2.67 H new ATOM 0 HH22 ARG A 74 5.994 -9.220 14.641 1.00 2.67 H new ATOM 1319 N GLY B 55 23.153 -0.275 -10.130 1.00 1.77 N ATOM 1320 CA GLY B 55 21.956 0.479 -10.426 1.00 1.76 C ATOM 1321 C GLY B 55 21.489 1.311 -9.251 1.00 1.40 C ATOM 1322 O GLY B 55 20.738 0.833 -8.401 1.00 1.29 O ATOM 0 HA2 GLY B 55 22.144 1.133 -11.278 1.00 1.76 H new ATOM 0 HA3 GLY B 55 21.162 -0.207 -10.720 1.00 1.76 H new ATOM 1326 N LYS B 56 21.954 2.549 -9.189 1.00 1.43 N ATOM 1327 CA LYS B 56 21.570 3.455 -8.120 1.00 1.15 C ATOM 1328 C LYS B 56 20.605 4.493 -8.661 1.00 1.13 C ATOM 1329 O LYS B 56 20.881 5.136 -9.675 1.00 1.19 O ATOM 1330 CB LYS B 56 22.796 4.150 -7.524 1.00 1.16 C ATOM 1331 CG LYS B 56 23.744 3.217 -6.787 1.00 1.14 C ATOM 1332 CD LYS B 56 23.202 2.812 -5.423 1.00 1.03 C ATOM 1333 CE LYS B 56 24.237 2.033 -4.626 1.00 1.13 C ATOM 1334 NZ LYS B 56 23.720 1.621 -3.296 1.00 1.04 N ATOM 0 H LYS B 56 22.600 2.950 -9.869 1.00 1.43 H new ATOM 0 HA LYS B 56 21.088 2.877 -7.331 1.00 1.15 H new ATOM 0 HB2 LYS B 56 23.343 4.647 -8.325 1.00 1.16 H new ATOM 0 HB3 LYS B 56 22.461 4.927 -6.837 1.00 1.16 H new ATOM 0 HG2 LYS B 56 23.914 2.324 -7.389 1.00 1.14 H new ATOM 0 HG3 LYS B 56 24.710 3.706 -6.662 1.00 1.14 H new ATOM 0 HD2 LYS B 56 22.907 3.702 -4.868 1.00 1.03 H new ATOM 0 HD3 LYS B 56 22.306 2.205 -5.551 1.00 1.03 H new ATOM 0 HE2 LYS B 56 24.537 1.149 -5.188 1.00 1.13 H new ATOM 0 HE3 LYS B 56 25.129 2.645 -4.494 1.00 1.13 H new ATOM 0 HZ1 LYS B 56 24.377 0.941 -2.863 1.00 1.04 H new ATOM 0 HZ2 LYS B 56 23.633 2.457 -2.683 1.00 1.04 H new ATOM 0 HZ3 LYS B 56 22.787 1.176 -3.409 1.00 1.04 H new ATOM 1348 N VAL B 57 19.474 4.647 -8.003 1.00 1.12 N ATOM 1349 CA VAL B 57 18.482 5.617 -8.430 1.00 1.13 C ATOM 1350 C VAL B 57 18.504 6.817 -7.496 1.00 1.07 C ATOM 1351 O VAL B 57 18.597 6.659 -6.278 1.00 0.99 O ATOM 1352 CB VAL B 57 17.062 5.017 -8.463 1.00 1.11 C ATOM 1353 CG1 VAL B 57 16.177 5.797 -9.422 1.00 1.23 C ATOM 1354 CG2 VAL B 57 17.099 3.545 -8.846 1.00 1.15 C ATOM 0 H VAL B 57 19.218 4.115 -7.172 1.00 1.12 H new ATOM 0 HA VAL B 57 18.737 5.924 -9.444 1.00 1.13 H new ATOM 0 HB VAL B 57 16.640 5.093 -7.461 1.00 1.11 H new ATOM 0 HG11 VAL B 57 15.179 5.360 -9.433 1.00 1.23 H new ATOM 0 HG12 VAL B 57 16.115 6.836 -9.097 1.00 1.23 H new ATOM 0 HG13 VAL B 57 16.602 5.756 -10.425 1.00 1.23 H new ATOM 0 HG21 VAL B 57 16.084 3.147 -8.861 1.00 1.15 H new ATOM 0 HG22 VAL B 57 17.546 3.437 -9.834 1.00 1.15 H new ATOM 0 HG23 VAL B 57 17.693 2.994 -8.117 1.00 1.15 H new ATOM 1364 N LEU B 58 18.425 8.009 -8.065 1.00 1.14 N ATOM 1365 CA LEU B 58 18.461 9.231 -7.278 1.00 1.13 C ATOM 1366 C LEU B 58 17.078 9.857 -7.168 1.00 1.12 C ATOM 1367 O LEU B 58 16.455 10.194 -8.176 1.00 1.20 O ATOM 1368 CB LEU B 58 19.444 10.227 -7.905 1.00 1.28 C ATOM 1369 CG LEU B 58 19.937 11.349 -6.981 1.00 1.36 C ATOM 1370 CD1 LEU B 58 21.317 11.824 -7.407 1.00 1.29 C ATOM 1371 CD2 LEU B 58 18.966 12.519 -6.981 1.00 1.76 C ATOM 0 H LEU B 58 18.335 8.156 -9.070 1.00 1.14 H new ATOM 0 HA LEU B 58 18.796 8.979 -6.272 1.00 1.13 H new ATOM 0 HB2 LEU B 58 20.310 9.674 -8.268 1.00 1.28 H new ATOM 0 HB3 LEU B 58 18.968 10.681 -8.774 1.00 1.28 H new ATOM 0 HG LEU B 58 19.997 10.947 -5.970 1.00 1.36 H new ATOM 0 HD11 LEU B 58 21.650 12.619 -6.740 1.00 1.29 H new ATOM 0 HD12 LEU B 58 22.019 10.992 -7.358 1.00 1.29 H new ATOM 0 HD13 LEU B 58 21.273 12.202 -8.429 1.00 1.29 H new ATOM 0 HD21 LEU B 58 19.338 13.301 -6.319 1.00 1.76 H new ATOM 0 HD22 LEU B 58 18.873 12.914 -7.992 1.00 1.76 H new ATOM 0 HD23 LEU B 58 17.990 12.182 -6.632 1.00 1.76 H new ATOM 1383 N TYR B 59 16.609 10.015 -5.942 1.00 1.06 N ATOM 1384 CA TYR B 59 15.315 10.626 -5.698 1.00 1.06 C ATOM 1385 C TYR B 59 15.513 11.935 -4.932 1.00 1.09 C ATOM 1386 O TYR B 59 16.130 11.948 -3.862 1.00 1.06 O ATOM 1387 CB TYR B 59 14.375 9.647 -4.956 1.00 0.97 C ATOM 1388 CG TYR B 59 14.255 9.860 -3.456 1.00 0.89 C ATOM 1389 CD1 TYR B 59 15.209 9.360 -2.576 1.00 1.03 C ATOM 1390 CD2 TYR B 59 13.183 10.569 -2.924 1.00 1.03 C ATOM 1391 CE1 TYR B 59 15.098 9.563 -1.212 1.00 1.28 C ATOM 1392 CE2 TYR B 59 13.065 10.774 -1.564 1.00 1.27 C ATOM 1393 CZ TYR B 59 14.023 10.272 -0.713 1.00 1.38 C ATOM 1394 OH TYR B 59 13.910 10.484 0.644 1.00 1.77 O ATOM 0 H TYR B 59 17.107 9.728 -5.099 1.00 1.06 H new ATOM 0 HA TYR B 59 14.832 10.857 -6.647 1.00 1.06 H new ATOM 0 HB2 TYR B 59 13.381 9.723 -5.396 1.00 0.97 H new ATOM 0 HB3 TYR B 59 14.726 8.630 -5.133 1.00 0.97 H new ATOM 0 HD1 TYR B 59 16.050 8.804 -2.964 1.00 1.03 H new ATOM 0 HD2 TYR B 59 12.429 10.966 -3.587 1.00 1.03 H new ATOM 0 HE1 TYR B 59 15.848 9.169 -0.541 1.00 1.28 H new ATOM 0 HE2 TYR B 59 12.225 11.326 -1.170 1.00 1.27 H new ATOM 0 HH TYR B 59 14.804 10.523 1.045 1.00 1.77 H new ATOM 1404 N GLU B 60 15.038 13.032 -5.525 1.00 1.18 N ATOM 1405 CA GLU B 60 15.142 14.380 -4.946 1.00 1.24 C ATOM 1406 C GLU B 60 16.599 14.848 -4.847 1.00 1.34 C ATOM 1407 O GLU B 60 17.011 15.777 -5.545 1.00 1.90 O ATOM 1408 CB GLU B 60 14.468 14.450 -3.569 1.00 1.13 C ATOM 1409 CG GLU B 60 12.994 14.065 -3.580 1.00 1.09 C ATOM 1410 CD GLU B 60 12.197 14.811 -4.632 1.00 1.49 C ATOM 1411 OE1 GLU B 60 12.196 14.379 -5.802 1.00 1.66 O ATOM 1412 OE2 GLU B 60 11.556 15.824 -4.286 1.00 2.02 O ATOM 0 H GLU B 60 14.565 13.013 -6.429 1.00 1.18 H new ATOM 0 HA GLU B 60 14.617 15.054 -5.623 1.00 1.24 H new ATOM 0 HB2 GLU B 60 15.000 13.792 -2.882 1.00 1.13 H new ATOM 0 HB3 GLU B 60 14.565 15.463 -3.179 1.00 1.13 H new ATOM 0 HG2 GLU B 60 12.905 12.993 -3.756 1.00 1.09 H new ATOM 0 HG3 GLU B 60 12.565 14.263 -2.598 1.00 1.09 H new ATOM 1419 N GLY B 61 17.371 14.205 -3.985 1.00 1.27 N ATOM 1420 CA GLY B 61 18.758 14.570 -3.811 1.00 1.32 C ATOM 1421 C GLY B 61 19.558 13.485 -3.113 1.00 1.22 C ATOM 1422 O GLY B 61 20.524 13.779 -2.413 1.00 1.33 O ATOM 0 H GLY B 61 17.057 13.431 -3.399 1.00 1.27 H new ATOM 0 HA2 GLY B 61 19.202 14.775 -4.785 1.00 1.32 H new ATOM 0 HA3 GLY B 61 18.819 15.492 -3.232 1.00 1.32 H new ATOM 1426 N LYS B 62 19.161 12.229 -3.296 1.00 1.08 N ATOM 1427 CA LYS B 62 19.864 11.112 -2.670 1.00 1.02 C ATOM 1428 C LYS B 62 19.759 9.852 -3.525 1.00 1.00 C ATOM 1429 O LYS B 62 18.724 9.598 -4.141 1.00 1.00 O ATOM 1430 CB LYS B 62 19.299 10.846 -1.269 1.00 0.92 C ATOM 1431 CG LYS B 62 20.119 9.854 -0.457 1.00 0.90 C ATOM 1432 CD LYS B 62 19.661 9.794 0.993 1.00 0.94 C ATOM 1433 CE LYS B 62 19.939 11.100 1.720 1.00 1.30 C ATOM 1434 NZ LYS B 62 19.843 10.949 3.194 1.00 1.59 N ATOM 0 H LYS B 62 18.361 11.959 -3.869 1.00 1.08 H new ATOM 0 HA LYS B 62 20.917 11.381 -2.584 1.00 1.02 H new ATOM 0 HB2 LYS B 62 19.242 11.789 -0.725 1.00 0.92 H new ATOM 0 HB3 LYS B 62 18.280 10.471 -1.363 1.00 0.92 H new ATOM 0 HG2 LYS B 62 20.038 8.863 -0.905 1.00 0.90 H new ATOM 0 HG3 LYS B 62 21.171 10.136 -0.494 1.00 0.90 H new ATOM 0 HD2 LYS B 62 18.594 9.576 1.030 1.00 0.94 H new ATOM 0 HD3 LYS B 62 20.171 8.977 1.503 1.00 0.94 H new ATOM 0 HE2 LYS B 62 20.935 11.456 1.456 1.00 1.30 H new ATOM 0 HE3 LYS B 62 19.230 11.858 1.387 1.00 1.30 H new ATOM 0 HZ1 LYS B 62 20.040 11.863 3.650 1.00 1.59 H new ATOM 0 HZ2 LYS B 62 18.885 10.634 3.449 1.00 1.59 H new ATOM 0 HZ3 LYS B 62 20.537 10.245 3.517 1.00 1.59 H new ATOM 1448 N GLU B 63 20.839 9.076 -3.561 1.00 1.03 N ATOM 1449 CA GLU B 63 20.879 7.838 -4.335 1.00 1.06 C ATOM 1450 C GLU B 63 20.638 6.630 -3.440 1.00 0.95 C ATOM 1451 O GLU B 63 21.209 6.527 -2.352 1.00 0.93 O ATOM 1452 CB GLU B 63 22.233 7.672 -5.032 1.00 1.22 C ATOM 1453 CG GLU B 63 22.397 8.509 -6.286 1.00 1.48 C ATOM 1454 CD GLU B 63 23.733 8.284 -6.965 1.00 1.64 C ATOM 1455 OE1 GLU B 63 24.711 8.968 -6.601 1.00 1.90 O ATOM 1456 OE2 GLU B 63 23.814 7.424 -7.868 1.00 2.14 O ATOM 0 H GLU B 63 21.703 9.284 -3.060 1.00 1.03 H new ATOM 0 HA GLU B 63 20.090 7.899 -5.084 1.00 1.06 H new ATOM 0 HB2 GLU B 63 23.024 7.933 -4.329 1.00 1.22 H new ATOM 0 HB3 GLU B 63 22.369 6.622 -5.290 1.00 1.22 H new ATOM 0 HG2 GLU B 63 21.594 8.272 -6.984 1.00 1.48 H new ATOM 0 HG3 GLU B 63 22.296 9.564 -6.030 1.00 1.48 H new ATOM 1463 N PHE B 64 19.796 5.719 -3.900 1.00 0.93 N ATOM 1464 CA PHE B 64 19.495 4.507 -3.154 1.00 0.85 C ATOM 1465 C PHE B 64 19.426 3.313 -4.094 1.00 0.91 C ATOM 1466 O PHE B 64 19.525 3.469 -5.311 1.00 1.02 O ATOM 1467 CB PHE B 64 18.187 4.657 -2.374 1.00 0.74 C ATOM 1468 CG PHE B 64 18.395 4.841 -0.900 1.00 0.71 C ATOM 1469 CD1 PHE B 64 18.542 6.107 -0.359 1.00 0.79 C ATOM 1470 CD2 PHE B 64 18.447 3.745 -0.053 1.00 0.65 C ATOM 1471 CE1 PHE B 64 18.735 6.279 0.998 1.00 0.82 C ATOM 1472 CE2 PHE B 64 18.642 3.909 1.304 1.00 0.68 C ATOM 1473 CZ PHE B 64 18.787 5.178 1.832 1.00 0.77 C ATOM 0 H PHE B 64 19.306 5.796 -4.791 1.00 0.93 H new ATOM 0 HA PHE B 64 20.297 4.338 -2.435 1.00 0.85 H new ATOM 0 HB2 PHE B 64 17.634 5.511 -2.766 1.00 0.74 H new ATOM 0 HB3 PHE B 64 17.570 3.774 -2.540 1.00 0.74 H new ATOM 0 HD1 PHE B 64 18.505 6.971 -1.006 1.00 0.79 H new ATOM 0 HD2 PHE B 64 18.334 2.751 -0.459 1.00 0.65 H new ATOM 0 HE1 PHE B 64 18.845 7.273 1.407 1.00 0.82 H new ATOM 0 HE2 PHE B 64 18.681 3.046 1.952 1.00 0.68 H new ATOM 0 HZ PHE B 64 18.940 5.309 2.893 1.00 0.77 H new ATOM 1483 N ASP B 65 19.257 2.125 -3.528 1.00 0.87 N ATOM 1484 CA ASP B 65 19.194 0.905 -4.323 1.00 0.94 C ATOM 1485 C ASP B 65 17.857 0.799 -5.043 1.00 1.03 C ATOM 1486 O ASP B 65 17.809 0.616 -6.258 1.00 1.18 O ATOM 1487 CB ASP B 65 19.415 -0.332 -3.447 1.00 0.88 C ATOM 1488 CG ASP B 65 20.846 -0.461 -2.960 1.00 0.84 C ATOM 1489 OD1 ASP B 65 21.773 -0.087 -3.709 1.00 1.39 O ATOM 1490 OD2 ASP B 65 21.049 -0.937 -1.824 1.00 1.13 O ATOM 0 H ASP B 65 19.161 1.980 -2.523 1.00 0.87 H new ATOM 0 HA ASP B 65 19.990 0.951 -5.066 1.00 0.94 H new ATOM 0 HB2 ASP B 65 18.746 -0.287 -2.587 1.00 0.88 H new ATOM 0 HB3 ASP B 65 19.147 -1.224 -4.013 1.00 0.88 H new ATOM 1495 N TYR B 66 16.771 0.910 -4.291 1.00 0.99 N ATOM 1496 CA TYR B 66 15.435 0.827 -4.863 1.00 1.12 C ATOM 1497 C TYR B 66 14.564 1.959 -4.334 1.00 0.95 C ATOM 1498 O TYR B 66 14.497 2.181 -3.129 1.00 0.88 O ATOM 1499 CB TYR B 66 14.779 -0.515 -4.520 1.00 1.31 C ATOM 1500 CG TYR B 66 15.577 -1.730 -4.943 1.00 1.57 C ATOM 1501 CD1 TYR B 66 15.556 -2.176 -6.258 1.00 1.79 C ATOM 1502 CD2 TYR B 66 16.342 -2.435 -4.023 1.00 1.64 C ATOM 1503 CE1 TYR B 66 16.275 -3.292 -6.644 1.00 2.05 C ATOM 1504 CE2 TYR B 66 17.064 -3.550 -4.401 1.00 1.89 C ATOM 1505 CZ TYR B 66 17.027 -3.976 -5.712 1.00 2.08 C ATOM 1506 OH TYR B 66 17.745 -5.089 -6.092 1.00 2.34 O ATOM 0 H TYR B 66 16.789 1.058 -3.282 1.00 0.99 H new ATOM 0 HA TYR B 66 15.527 0.912 -5.946 1.00 1.12 H new ATOM 0 HB2 TYR B 66 14.615 -0.560 -3.443 1.00 1.31 H new ATOM 0 HB3 TYR B 66 13.798 -0.557 -4.994 1.00 1.31 H new ATOM 0 HD1 TYR B 66 14.969 -1.643 -6.991 1.00 1.79 H new ATOM 0 HD2 TYR B 66 16.373 -2.106 -2.995 1.00 1.64 H new ATOM 0 HE1 TYR B 66 16.248 -3.627 -7.671 1.00 2.05 H new ATOM 0 HE2 TYR B 66 17.655 -4.086 -3.673 1.00 1.89 H new ATOM 0 HH TYR B 66 18.221 -5.452 -5.316 1.00 2.34 H new ATOM 1516 N VAL B 67 13.912 2.682 -5.233 1.00 0.97 N ATOM 1517 CA VAL B 67 13.029 3.775 -4.839 1.00 0.85 C ATOM 1518 C VAL B 67 11.619 3.521 -5.360 1.00 0.86 C ATOM 1519 O VAL B 67 11.276 3.886 -6.486 1.00 1.09 O ATOM 1520 CB VAL B 67 13.538 5.151 -5.328 1.00 0.87 C ATOM 1521 CG1 VAL B 67 14.687 5.631 -4.456 1.00 0.85 C ATOM 1522 CG2 VAL B 67 13.963 5.097 -6.788 1.00 1.05 C ATOM 0 H VAL B 67 13.976 2.533 -6.240 1.00 0.97 H new ATOM 0 HA VAL B 67 13.018 3.805 -3.749 1.00 0.85 H new ATOM 0 HB VAL B 67 12.715 5.861 -5.247 1.00 0.87 H new ATOM 0 HG11 VAL B 67 15.034 6.601 -4.813 1.00 0.85 H new ATOM 0 HG12 VAL B 67 14.347 5.725 -3.425 1.00 0.85 H new ATOM 0 HG13 VAL B 67 15.505 4.912 -4.504 1.00 0.85 H new ATOM 0 HG21 VAL B 67 14.316 6.080 -7.101 1.00 1.05 H new ATOM 0 HG22 VAL B 67 14.765 4.369 -6.907 1.00 1.05 H new ATOM 0 HG23 VAL B 67 13.113 4.804 -7.404 1.00 1.05 H new ATOM 1532 N PHE B 68 10.811 2.878 -4.537 1.00 0.75 N ATOM 1533 CA PHE B 68 9.445 2.540 -4.913 1.00 0.79 C ATOM 1534 C PHE B 68 8.556 3.778 -4.930 1.00 0.81 C ATOM 1535 O PHE B 68 8.587 4.587 -4.002 1.00 0.77 O ATOM 1536 CB PHE B 68 8.873 1.497 -3.951 1.00 0.78 C ATOM 1537 CG PHE B 68 9.796 0.333 -3.705 1.00 1.42 C ATOM 1538 CD1 PHE B 68 10.134 -0.529 -4.735 1.00 2.40 C ATOM 1539 CD2 PHE B 68 10.326 0.106 -2.445 1.00 1.76 C ATOM 1540 CE1 PHE B 68 10.983 -1.597 -4.513 1.00 3.40 C ATOM 1541 CE2 PHE B 68 11.174 -0.960 -2.218 1.00 2.77 C ATOM 1542 CZ PHE B 68 11.503 -1.813 -3.254 1.00 3.53 C ATOM 0 H PHE B 68 11.076 2.577 -3.599 1.00 0.75 H new ATOM 0 HA PHE B 68 9.467 2.123 -5.920 1.00 0.79 H new ATOM 0 HB2 PHE B 68 8.647 1.978 -2.999 1.00 0.78 H new ATOM 0 HB3 PHE B 68 7.930 1.124 -4.351 1.00 0.78 H new ATOM 0 HD1 PHE B 68 9.730 -0.365 -5.723 1.00 2.40 H new ATOM 0 HD2 PHE B 68 10.073 0.770 -1.632 1.00 1.76 H new ATOM 0 HE1 PHE B 68 11.239 -2.262 -5.325 1.00 3.40 H new ATOM 0 HE2 PHE B 68 11.580 -1.127 -1.231 1.00 2.77 H new ATOM 0 HZ PHE B 68 12.166 -2.647 -3.078 1.00 3.53 H new ATOM 1552 N SER B 69 7.781 3.926 -5.996 1.00 0.93 N ATOM 1553 CA SER B 69 6.876 5.054 -6.136 1.00 0.99 C ATOM 1554 C SER B 69 5.528 4.718 -5.512 1.00 1.07 C ATOM 1555 O SER B 69 4.791 3.871 -6.018 1.00 1.23 O ATOM 1556 CB SER B 69 6.707 5.406 -7.613 1.00 1.13 C ATOM 1557 OG SER B 69 7.939 5.269 -8.309 1.00 1.37 O ATOM 0 H SER B 69 7.763 3.274 -6.780 1.00 0.93 H new ATOM 0 HA SER B 69 7.295 5.916 -5.618 1.00 0.99 H new ATOM 0 HB2 SER B 69 5.956 4.756 -8.063 1.00 1.13 H new ATOM 0 HB3 SER B 69 6.342 6.429 -7.708 1.00 1.13 H new ATOM 0 HG SER B 69 7.809 5.497 -9.253 1.00 1.37 H new ATOM 1563 N ILE B 70 5.210 5.374 -4.411 1.00 1.01 N ATOM 1564 CA ILE B 70 3.962 5.126 -3.715 1.00 1.12 C ATOM 1565 C ILE B 70 3.059 6.354 -3.750 1.00 1.08 C ATOM 1566 O ILE B 70 3.460 7.451 -3.353 1.00 1.10 O ATOM 1567 CB ILE B 70 4.209 4.706 -2.246 1.00 1.21 C ATOM 1568 CG1 ILE B 70 4.990 3.391 -2.194 1.00 1.41 C ATOM 1569 CG2 ILE B 70 2.894 4.563 -1.491 1.00 1.35 C ATOM 1570 CD1 ILE B 70 6.339 3.511 -1.521 1.00 1.62 C ATOM 0 H ILE B 70 5.801 6.084 -3.979 1.00 1.01 H new ATOM 0 HA ILE B 70 3.465 4.306 -4.234 1.00 1.12 H new ATOM 0 HB ILE B 70 4.797 5.488 -1.765 1.00 1.21 H new ATOM 0 HG12 ILE B 70 4.395 2.646 -1.665 1.00 1.41 H new ATOM 0 HG13 ILE B 70 5.132 3.023 -3.210 1.00 1.41 H new ATOM 0 HG21 ILE B 70 3.096 4.267 -0.462 1.00 1.35 H new ATOM 0 HG22 ILE B 70 2.365 5.516 -1.498 1.00 1.35 H new ATOM 0 HG23 ILE B 70 2.279 3.803 -1.973 1.00 1.35 H new ATOM 0 HD11 ILE B 70 6.834 2.540 -1.522 1.00 1.62 H new ATOM 0 HD12 ILE B 70 6.953 4.231 -2.062 1.00 1.62 H new ATOM 0 HD13 ILE B 70 6.204 3.849 -0.493 1.00 1.62 H new ATOM 1582 N ASP B 71 1.850 6.161 -4.251 1.00 1.20 N ATOM 1583 CA ASP B 71 0.866 7.228 -4.326 1.00 1.30 C ATOM 1584 C ASP B 71 0.073 7.277 -3.027 1.00 1.30 C ATOM 1585 O ASP B 71 -0.014 6.280 -2.308 1.00 1.46 O ATOM 1586 CB ASP B 71 -0.084 7.001 -5.507 1.00 1.55 C ATOM 1587 CG ASP B 71 -0.867 5.712 -5.371 1.00 1.54 C ATOM 1588 OD1 ASP B 71 -0.361 4.658 -5.812 1.00 1.89 O ATOM 1589 OD2 ASP B 71 -1.980 5.738 -4.810 1.00 1.95 O ATOM 0 H ASP B 71 1.524 5.266 -4.615 1.00 1.20 H new ATOM 0 HA ASP B 71 1.383 8.176 -4.476 1.00 1.30 H new ATOM 0 HB2 ASP B 71 -0.777 7.839 -5.580 1.00 1.55 H new ATOM 0 HB3 ASP B 71 0.489 6.980 -6.434 1.00 1.55 H new ATOM 1594 N VAL B 72 -0.486 8.433 -2.720 1.00 1.31 N ATOM 1595 CA VAL B 72 -1.271 8.591 -1.503 1.00 1.39 C ATOM 1596 C VAL B 72 -2.766 8.510 -1.813 1.00 1.60 C ATOM 1597 O VAL B 72 -3.541 7.939 -1.041 1.00 1.74 O ATOM 1598 CB VAL B 72 -0.940 9.924 -0.781 1.00 1.41 C ATOM 1599 CG1 VAL B 72 -1.182 11.125 -1.688 1.00 1.50 C ATOM 1600 CG2 VAL B 72 -1.738 10.052 0.510 1.00 1.98 C ATOM 0 H VAL B 72 -0.413 9.275 -3.292 1.00 1.31 H new ATOM 0 HA VAL B 72 -1.007 7.774 -0.832 1.00 1.39 H new ATOM 0 HB VAL B 72 0.120 9.909 -0.529 1.00 1.41 H new ATOM 0 HG11 VAL B 72 -0.940 12.042 -1.150 1.00 1.50 H new ATOM 0 HG12 VAL B 72 -0.550 11.046 -2.573 1.00 1.50 H new ATOM 0 HG13 VAL B 72 -2.229 11.147 -1.991 1.00 1.50 H new ATOM 0 HG21 VAL B 72 -1.490 10.994 0.999 1.00 1.98 H new ATOM 0 HG22 VAL B 72 -2.804 10.031 0.283 1.00 1.98 H new ATOM 0 HG23 VAL B 72 -1.492 9.223 1.173 1.00 1.98 H new ATOM 1610 N ASN B 73 -3.150 9.060 -2.964 1.00 1.74 N ATOM 1611 CA ASN B 73 -4.542 9.072 -3.412 1.00 2.04 C ATOM 1612 C ASN B 73 -4.647 9.822 -4.728 1.00 2.10 C ATOM 1613 O ASN B 73 -5.342 9.394 -5.651 1.00 2.56 O ATOM 1614 CB ASN B 73 -5.461 9.723 -2.372 1.00 2.45 C ATOM 1615 CG ASN B 73 -6.930 9.542 -2.710 1.00 3.02 C ATOM 1616 OD1 ASN B 73 -7.608 10.482 -3.128 1.00 3.36 O ATOM 1617 ND2 ASN B 73 -7.429 8.325 -2.551 1.00 3.55 N ATOM 0 H ASN B 73 -2.504 9.510 -3.613 1.00 1.74 H new ATOM 0 HA ASN B 73 -4.863 8.039 -3.546 1.00 2.04 H new ATOM 0 HB2 ASN B 73 -5.260 9.291 -1.391 1.00 2.45 H new ATOM 0 HB3 ASN B 73 -5.234 10.787 -2.305 1.00 2.45 H new ATOM 0 HD21 ASN B 73 -8.406 8.141 -2.777 1.00 3.55 H new ATOM 0 HD22 ASN B 73 -6.836 7.572 -2.202 1.00 3.55 H new ATOM 1624 N GLU B 74 -3.950 10.944 -4.802 1.00 2.11 N ATOM 1625 CA GLU B 74 -3.931 11.762 -6.000 1.00 2.37 C ATOM 1626 C GLU B 74 -2.672 11.455 -6.799 1.00 2.06 C ATOM 1627 O GLU B 74 -1.846 10.646 -6.369 1.00 2.44 O ATOM 1628 CB GLU B 74 -3.966 13.246 -5.634 1.00 3.12 C ATOM 1629 CG GLU B 74 -5.136 13.635 -4.747 1.00 3.50 C ATOM 1630 CD GLU B 74 -5.082 15.092 -4.339 1.00 4.28 C ATOM 1631 OE1 GLU B 74 -5.345 15.961 -5.194 1.00 4.70 O ATOM 1632 OE2 GLU B 74 -4.764 15.376 -3.167 1.00 4.76 O ATOM 0 H GLU B 74 -3.385 11.311 -4.036 1.00 2.11 H new ATOM 0 HA GLU B 74 -4.811 11.534 -6.601 1.00 2.37 H new ATOM 0 HB2 GLU B 74 -3.037 13.507 -5.128 1.00 3.12 H new ATOM 0 HB3 GLU B 74 -4.006 13.835 -6.550 1.00 3.12 H new ATOM 0 HG2 GLU B 74 -6.070 13.441 -5.274 1.00 3.50 H new ATOM 0 HG3 GLU B 74 -5.138 13.009 -3.855 1.00 3.50 H new ATOM 1639 N GLY B 75 -2.524 12.098 -7.948 1.00 1.96 N ATOM 1640 CA GLY B 75 -1.354 11.873 -8.777 1.00 1.83 C ATOM 1641 C GLY B 75 -0.117 12.520 -8.190 1.00 1.79 C ATOM 1642 O GLY B 75 0.923 11.874 -8.035 1.00 2.16 O ATOM 0 H GLY B 75 -3.192 12.772 -8.322 1.00 1.96 H new ATOM 0 HA2 GLY B 75 -1.187 10.802 -8.887 1.00 1.83 H new ATOM 0 HA3 GLY B 75 -1.534 12.271 -9.776 1.00 1.83 H new ATOM 1646 N GLY B 76 -0.232 13.792 -7.850 1.00 1.70 N ATOM 1647 CA GLY B 76 0.879 14.509 -7.278 1.00 1.72 C ATOM 1648 C GLY B 76 0.497 15.102 -5.933 1.00 1.64 C ATOM 1649 O GLY B 76 -0.641 15.538 -5.753 1.00 1.74 O ATOM 0 H GLY B 76 -1.083 14.343 -7.962 1.00 1.70 H new ATOM 0 HA2 GLY B 76 1.729 13.837 -7.157 1.00 1.72 H new ATOM 0 HA3 GLY B 76 1.194 15.303 -7.955 1.00 1.72 H new ATOM 1653 N PRO B 77 1.424 15.134 -4.966 1.00 1.48 N ATOM 1654 CA PRO B 77 2.777 14.618 -5.144 1.00 1.39 C ATOM 1655 C PRO B 77 2.886 13.122 -4.859 1.00 1.29 C ATOM 1656 O PRO B 77 2.099 12.559 -4.093 1.00 1.33 O ATOM 1657 CB PRO B 77 3.572 15.413 -4.112 1.00 1.36 C ATOM 1658 CG PRO B 77 2.605 15.681 -3.005 1.00 1.41 C ATOM 1659 CD PRO B 77 1.222 15.685 -3.615 1.00 1.46 C ATOM 0 HA PRO B 77 3.126 14.728 -6.171 1.00 1.39 H new ATOM 0 HB2 PRO B 77 4.433 14.848 -3.756 1.00 1.36 H new ATOM 0 HB3 PRO B 77 3.953 16.342 -4.537 1.00 1.36 H new ATOM 0 HG2 PRO B 77 2.683 14.917 -2.232 1.00 1.41 H new ATOM 0 HG3 PRO B 77 2.819 16.638 -2.530 1.00 1.41 H new ATOM 0 HD2 PRO B 77 0.529 15.075 -3.035 1.00 1.46 H new ATOM 0 HD3 PRO B 77 0.806 16.692 -3.653 1.00 1.46 H new ATOM 1667 N SER B 78 3.861 12.484 -5.487 1.00 1.25 N ATOM 1668 CA SER B 78 4.098 11.065 -5.297 1.00 1.17 C ATOM 1669 C SER B 78 5.259 10.870 -4.328 1.00 1.05 C ATOM 1670 O SER B 78 6.185 11.683 -4.290 1.00 1.14 O ATOM 1671 CB SER B 78 4.404 10.399 -6.640 1.00 1.28 C ATOM 1672 OG SER B 78 3.466 10.794 -7.628 1.00 1.47 O ATOM 0 H SER B 78 4.505 12.933 -6.138 1.00 1.25 H new ATOM 0 HA SER B 78 3.205 10.601 -4.879 1.00 1.17 H new ATOM 0 HB2 SER B 78 5.411 10.666 -6.962 1.00 1.28 H new ATOM 0 HB3 SER B 78 4.383 9.315 -6.526 1.00 1.28 H new ATOM 0 HG SER B 78 2.634 11.078 -7.194 1.00 1.47 H new ATOM 1678 N TYR B 79 5.211 9.809 -3.541 1.00 1.02 N ATOM 1679 CA TYR B 79 6.262 9.543 -2.575 1.00 0.93 C ATOM 1680 C TYR B 79 7.190 8.444 -3.072 1.00 0.87 C ATOM 1681 O TYR B 79 6.758 7.507 -3.743 1.00 0.85 O ATOM 1682 CB TYR B 79 5.657 9.156 -1.225 1.00 0.93 C ATOM 1683 CG TYR B 79 4.854 10.266 -0.580 1.00 1.00 C ATOM 1684 CD1 TYR B 79 5.478 11.408 -0.095 1.00 1.15 C ATOM 1685 CD2 TYR B 79 3.473 10.173 -0.461 1.00 1.06 C ATOM 1686 CE1 TYR B 79 4.751 12.425 0.491 1.00 1.26 C ATOM 1687 CE2 TYR B 79 2.737 11.186 0.124 1.00 1.15 C ATOM 1688 CZ TYR B 79 3.381 12.309 0.599 1.00 1.22 C ATOM 1689 OH TYR B 79 2.653 13.319 1.184 1.00 1.35 O ATOM 0 H TYR B 79 4.459 9.120 -3.552 1.00 1.02 H new ATOM 0 HA TYR B 79 6.848 10.454 -2.450 1.00 0.93 H new ATOM 0 HB2 TYR B 79 5.015 8.286 -1.360 1.00 0.93 H new ATOM 0 HB3 TYR B 79 6.459 8.859 -0.549 1.00 0.93 H new ATOM 0 HD1 TYR B 79 6.551 11.502 -0.178 1.00 1.15 H new ATOM 0 HD2 TYR B 79 2.966 9.294 -0.832 1.00 1.06 H new ATOM 0 HE1 TYR B 79 5.252 13.306 0.863 1.00 1.26 H new ATOM 0 HE2 TYR B 79 1.664 11.099 0.209 1.00 1.15 H new ATOM 0 HH TYR B 79 1.702 13.081 1.180 1.00 1.35 H new ATOM 1699 N LYS B 80 8.468 8.575 -2.758 1.00 0.87 N ATOM 1700 CA LYS B 80 9.460 7.594 -3.164 1.00 0.83 C ATOM 1701 C LYS B 80 10.104 6.973 -1.936 1.00 0.77 C ATOM 1702 O LYS B 80 10.684 7.677 -1.110 1.00 0.81 O ATOM 1703 CB LYS B 80 10.536 8.243 -4.043 1.00 0.87 C ATOM 1704 CG LYS B 80 9.982 9.008 -5.236 1.00 0.99 C ATOM 1705 CD LYS B 80 9.417 8.077 -6.300 1.00 1.08 C ATOM 1706 CE LYS B 80 10.512 7.497 -7.182 1.00 1.41 C ATOM 1707 NZ LYS B 80 9.987 7.067 -8.504 1.00 2.14 N ATOM 0 H LYS B 80 8.844 9.356 -2.220 1.00 0.87 H new ATOM 0 HA LYS B 80 8.961 6.817 -3.744 1.00 0.83 H new ATOM 0 HB2 LYS B 80 11.128 8.923 -3.431 1.00 0.87 H new ATOM 0 HB3 LYS B 80 11.212 7.468 -4.404 1.00 0.87 H new ATOM 0 HG2 LYS B 80 9.201 9.689 -4.899 1.00 0.99 H new ATOM 0 HG3 LYS B 80 10.771 9.620 -5.672 1.00 0.99 H new ATOM 0 HD2 LYS B 80 8.869 7.266 -5.820 1.00 1.08 H new ATOM 0 HD3 LYS B 80 8.703 8.622 -6.918 1.00 1.08 H new ATOM 0 HE2 LYS B 80 11.295 8.242 -7.327 1.00 1.41 H new ATOM 0 HE3 LYS B 80 10.971 6.646 -6.679 1.00 1.41 H new ATOM 0 HZ1 LYS B 80 10.647 6.389 -8.936 1.00 2.14 H new ATOM 0 HZ2 LYS B 80 9.059 6.614 -8.378 1.00 2.14 H new ATOM 0 HZ3 LYS B 80 9.887 7.896 -9.124 1.00 2.14 H new ATOM 1721 N LEU B 81 9.984 5.662 -1.805 1.00 0.70 N ATOM 1722 CA LEU B 81 10.567 4.959 -0.673 1.00 0.67 C ATOM 1723 C LEU B 81 11.968 4.471 -1.018 1.00 0.63 C ATOM 1724 O LEU B 81 12.137 3.598 -1.870 1.00 0.60 O ATOM 1725 CB LEU B 81 9.683 3.781 -0.256 1.00 0.66 C ATOM 1726 CG LEU B 81 9.848 3.309 1.196 1.00 0.75 C ATOM 1727 CD1 LEU B 81 8.590 2.598 1.668 1.00 0.87 C ATOM 1728 CD2 LEU B 81 11.054 2.390 1.338 1.00 1.13 C ATOM 0 H LEU B 81 9.489 5.064 -2.467 1.00 0.70 H new ATOM 0 HA LEU B 81 10.634 5.653 0.165 1.00 0.67 H new ATOM 0 HB2 LEU B 81 8.641 4.059 -0.413 1.00 0.66 H new ATOM 0 HB3 LEU B 81 9.892 2.941 -0.918 1.00 0.66 H new ATOM 0 HG LEU B 81 10.013 4.188 1.819 1.00 0.75 H new ATOM 0 HD11 LEU B 81 8.723 2.270 2.699 1.00 0.87 H new ATOM 0 HD12 LEU B 81 7.743 3.281 1.611 1.00 0.87 H new ATOM 0 HD13 LEU B 81 8.401 1.733 1.033 1.00 0.87 H new ATOM 0 HD21 LEU B 81 11.148 2.070 2.376 1.00 1.13 H new ATOM 0 HD22 LEU B 81 10.923 1.516 0.700 1.00 1.13 H new ATOM 0 HD23 LEU B 81 11.956 2.925 1.040 1.00 1.13 H new ATOM 1740 N PRO B 82 12.987 5.043 -0.366 1.00 0.68 N ATOM 1741 CA PRO B 82 14.380 4.675 -0.593 1.00 0.70 C ATOM 1742 C PRO B 82 14.782 3.425 0.191 1.00 0.69 C ATOM 1743 O PRO B 82 15.096 3.492 1.379 1.00 0.73 O ATOM 1744 CB PRO B 82 15.137 5.901 -0.093 1.00 0.77 C ATOM 1745 CG PRO B 82 14.282 6.462 0.993 1.00 0.78 C ATOM 1746 CD PRO B 82 12.857 6.107 0.649 1.00 0.77 C ATOM 0 HA PRO B 82 14.585 4.425 -1.634 1.00 0.70 H new ATOM 0 HB2 PRO B 82 16.124 5.630 0.281 1.00 0.77 H new ATOM 0 HB3 PRO B 82 15.287 6.626 -0.893 1.00 0.77 H new ATOM 0 HG2 PRO B 82 14.562 6.045 1.960 1.00 0.78 H new ATOM 0 HG3 PRO B 82 14.405 7.543 1.064 1.00 0.78 H new ATOM 0 HD2 PRO B 82 12.310 5.758 1.525 1.00 0.77 H new ATOM 0 HD3 PRO B 82 12.315 6.968 0.257 1.00 0.77 H new ATOM 1754 N TYR B 83 14.770 2.288 -0.485 1.00 0.69 N ATOM 1755 CA TYR B 83 15.117 1.018 0.136 1.00 0.70 C ATOM 1756 C TYR B 83 16.545 0.607 -0.217 1.00 0.74 C ATOM 1757 O TYR B 83 17.018 0.848 -1.332 1.00 0.78 O ATOM 1758 CB TYR B 83 14.125 -0.070 -0.304 1.00 0.75 C ATOM 1759 CG TYR B 83 14.420 -1.446 0.259 1.00 0.80 C ATOM 1760 CD1 TYR B 83 14.434 -1.669 1.629 1.00 0.82 C ATOM 1761 CD2 TYR B 83 14.683 -2.520 -0.583 1.00 0.87 C ATOM 1762 CE1 TYR B 83 14.703 -2.921 2.146 1.00 0.89 C ATOM 1763 CE2 TYR B 83 14.953 -3.776 -0.073 1.00 0.93 C ATOM 1764 CZ TYR B 83 14.962 -3.970 1.293 1.00 0.94 C ATOM 1765 OH TYR B 83 15.230 -5.218 1.807 1.00 1.02 O ATOM 0 H TYR B 83 14.522 2.218 -1.472 1.00 0.69 H new ATOM 0 HA TYR B 83 15.059 1.138 1.218 1.00 0.70 H new ATOM 0 HB2 TYR B 83 13.121 0.226 -0.001 1.00 0.75 H new ATOM 0 HB3 TYR B 83 14.126 -0.128 -1.392 1.00 0.75 H new ATOM 0 HD1 TYR B 83 14.231 -0.849 2.302 1.00 0.82 H new ATOM 0 HD2 TYR B 83 14.676 -2.371 -1.653 1.00 0.87 H new ATOM 0 HE1 TYR B 83 14.710 -3.076 3.215 1.00 0.89 H new ATOM 0 HE2 TYR B 83 15.156 -4.601 -0.740 1.00 0.93 H new ATOM 0 HH TYR B 83 15.604 -5.127 2.708 1.00 1.02 H new ATOM 1775 N ASN B 84 17.228 -0.003 0.741 1.00 0.76 N ATOM 1776 CA ASN B 84 18.594 -0.462 0.543 1.00 0.84 C ATOM 1777 C ASN B 84 18.616 -1.985 0.485 1.00 0.93 C ATOM 1778 O ASN B 84 17.816 -2.642 1.149 1.00 0.95 O ATOM 1779 CB ASN B 84 19.494 0.042 1.678 1.00 0.86 C ATOM 1780 CG ASN B 84 20.957 -0.309 1.478 1.00 1.63 C ATOM 1781 OD1 ASN B 84 21.421 -1.370 1.897 1.00 2.01 O ATOM 1782 ND2 ASN B 84 21.700 0.586 0.849 1.00 2.53 N ATOM 0 H ASN B 84 16.854 -0.192 1.671 1.00 0.76 H new ATOM 0 HA ASN B 84 18.973 -0.063 -0.398 1.00 0.84 H new ATOM 0 HB2 ASN B 84 19.394 1.124 1.760 1.00 0.86 H new ATOM 0 HB3 ASN B 84 19.150 -0.382 2.622 1.00 0.86 H new ATOM 0 HD21 ASN B 84 22.693 0.408 0.697 1.00 2.53 H new ATOM 0 HD22 ASN B 84 21.280 1.454 0.516 1.00 2.53 H new ATOM 1789 N THR B 85 19.525 -2.536 -0.308 1.00 1.07 N ATOM 1790 CA THR B 85 19.645 -3.985 -0.466 1.00 1.20 C ATOM 1791 C THR B 85 19.897 -4.691 0.869 1.00 1.16 C ATOM 1792 O THR B 85 19.453 -5.822 1.085 1.00 1.39 O ATOM 1793 CB THR B 85 20.782 -4.339 -1.447 1.00 1.34 C ATOM 1794 OG1 THR B 85 21.893 -3.450 -1.259 1.00 1.53 O ATOM 1795 CG2 THR B 85 20.303 -4.254 -2.887 1.00 1.79 C ATOM 0 H THR B 85 20.196 -1.999 -0.857 1.00 1.07 H new ATOM 0 HA THR B 85 18.693 -4.334 -0.866 1.00 1.20 H new ATOM 0 HB THR B 85 21.096 -5.362 -1.243 1.00 1.34 H new ATOM 0 HG1 THR B 85 21.659 -2.559 -1.594 1.00 1.53 H new ATOM 0 HG21 THR B 85 21.123 -4.508 -3.559 1.00 1.79 H new ATOM 0 HG22 THR B 85 19.480 -4.952 -3.039 1.00 1.79 H new ATOM 0 HG23 THR B 85 19.962 -3.240 -3.098 1.00 1.79 H new ATOM 1803 N SER B 86 20.595 -4.010 1.767 1.00 1.23 N ATOM 1804 CA SER B 86 20.921 -4.572 3.066 1.00 1.24 C ATOM 1805 C SER B 86 20.112 -3.910 4.181 1.00 1.22 C ATOM 1806 O SER B 86 20.670 -3.490 5.197 1.00 1.43 O ATOM 1807 CB SER B 86 22.414 -4.394 3.332 1.00 1.53 C ATOM 1808 OG SER B 86 23.163 -4.533 2.135 1.00 1.95 O ATOM 0 H SER B 86 20.947 -3.064 1.617 1.00 1.23 H new ATOM 0 HA SER B 86 20.667 -5.632 3.055 1.00 1.24 H new ATOM 0 HB2 SER B 86 22.595 -3.411 3.767 1.00 1.53 H new ATOM 0 HB3 SER B 86 22.748 -5.132 4.062 1.00 1.53 H new ATOM 0 HG SER B 86 24.116 -4.413 2.330 1.00 1.95 H new ATOM 1814 N ASP B 87 18.802 -3.809 3.996 1.00 1.20 N ATOM 1815 CA ASP B 87 17.945 -3.205 5.010 1.00 1.43 C ATOM 1816 C ASP B 87 16.702 -4.050 5.238 1.00 1.19 C ATOM 1817 O ASP B 87 16.275 -4.795 4.353 1.00 1.33 O ATOM 1818 CB ASP B 87 17.545 -1.784 4.615 1.00 1.99 C ATOM 1819 CG ASP B 87 17.267 -0.915 5.825 1.00 2.54 C ATOM 1820 OD1 ASP B 87 18.237 -0.500 6.494 1.00 2.92 O ATOM 1821 OD2 ASP B 87 16.086 -0.634 6.109 1.00 2.97 O ATOM 0 H ASP B 87 18.313 -4.134 3.162 1.00 1.20 H new ATOM 0 HA ASP B 87 18.513 -3.159 5.939 1.00 1.43 H new ATOM 0 HB2 ASP B 87 18.341 -1.335 4.022 1.00 1.99 H new ATOM 0 HB3 ASP B 87 16.658 -1.820 3.983 1.00 1.99 H new ATOM 1826 N ASP B 88 16.129 -3.934 6.428 1.00 1.18 N ATOM 1827 CA ASP B 88 14.933 -4.686 6.780 1.00 1.09 C ATOM 1828 C ASP B 88 13.691 -3.930 6.324 1.00 0.98 C ATOM 1829 O ASP B 88 13.582 -2.728 6.552 1.00 0.95 O ATOM 1830 CB ASP B 88 14.880 -4.934 8.291 1.00 1.31 C ATOM 1831 CG ASP B 88 13.636 -5.690 8.711 1.00 1.86 C ATOM 1832 OD1 ASP B 88 13.663 -6.938 8.698 1.00 2.55 O ATOM 1833 OD2 ASP B 88 12.631 -5.042 9.060 1.00 2.12 O ATOM 0 H ASP B 88 16.475 -3.324 7.168 1.00 1.18 H new ATOM 0 HA ASP B 88 14.965 -5.651 6.275 1.00 1.09 H new ATOM 0 HB2 ASP B 88 15.763 -5.496 8.595 1.00 1.31 H new ATOM 0 HB3 ASP B 88 14.915 -3.978 8.814 1.00 1.31 H new ATOM 1838 N PRO B 89 12.737 -4.630 5.682 1.00 0.95 N ATOM 1839 CA PRO B 89 11.495 -4.030 5.169 1.00 0.90 C ATOM 1840 C PRO B 89 10.763 -3.156 6.188 1.00 0.89 C ATOM 1841 O PRO B 89 10.229 -2.102 5.837 1.00 0.85 O ATOM 1842 CB PRO B 89 10.627 -5.239 4.793 1.00 0.96 C ATOM 1843 CG PRO B 89 11.335 -6.435 5.339 1.00 0.79 C ATOM 1844 CD PRO B 89 12.786 -6.068 5.401 1.00 1.00 C ATOM 0 HA PRO B 89 11.711 -3.358 4.339 1.00 0.90 H new ATOM 0 HB2 PRO B 89 9.627 -5.149 5.217 1.00 0.96 H new ATOM 0 HB3 PRO B 89 10.509 -5.314 3.712 1.00 0.96 H new ATOM 0 HG2 PRO B 89 10.956 -6.694 6.328 1.00 0.79 H new ATOM 0 HG3 PRO B 89 11.180 -7.305 4.700 1.00 0.79 H new ATOM 0 HD2 PRO B 89 13.310 -6.617 6.183 1.00 1.00 H new ATOM 0 HD3 PRO B 89 13.299 -6.281 4.463 1.00 1.00 H new ATOM 1852 N TRP B 90 10.737 -3.586 7.444 1.00 0.97 N ATOM 1853 CA TRP B 90 10.057 -2.829 8.484 1.00 1.01 C ATOM 1854 C TRP B 90 10.882 -1.616 8.896 1.00 0.99 C ATOM 1855 O TRP B 90 10.333 -0.565 9.234 1.00 0.96 O ATOM 1856 CB TRP B 90 9.769 -3.715 9.696 1.00 1.13 C ATOM 1857 CG TRP B 90 8.672 -4.706 9.455 1.00 1.32 C ATOM 1858 CD1 TRP B 90 7.332 -4.447 9.427 1.00 1.47 C ATOM 1859 CD2 TRP B 90 8.816 -6.109 9.206 1.00 2.16 C ATOM 1860 NE1 TRP B 90 6.633 -5.603 9.183 1.00 2.14 N ATOM 1861 CE2 TRP B 90 7.520 -6.638 9.046 1.00 2.56 C ATOM 1862 CE3 TRP B 90 9.910 -6.973 9.111 1.00 2.87 C ATOM 1863 CZ2 TRP B 90 7.293 -7.987 8.791 1.00 3.50 C ATOM 1864 CZ3 TRP B 90 9.683 -8.311 8.855 1.00 3.79 C ATOM 1865 CH2 TRP B 90 8.383 -8.808 8.702 1.00 4.06 C ATOM 0 H TRP B 90 11.176 -4.449 7.764 1.00 0.97 H new ATOM 0 HA TRP B 90 9.107 -2.477 8.081 1.00 1.01 H new ATOM 0 HB2 TRP B 90 10.678 -4.249 9.972 1.00 1.13 H new ATOM 0 HB3 TRP B 90 9.500 -3.084 10.543 1.00 1.13 H new ATOM 0 HD1 TRP B 90 6.887 -3.474 9.575 1.00 1.47 H new ATOM 0 HE1 TRP B 90 5.618 -5.679 9.115 1.00 2.14 H new ATOM 0 HE3 TRP B 90 10.916 -6.601 9.236 1.00 2.87 H new ATOM 0 HZ2 TRP B 90 6.291 -8.372 8.668 1.00 3.50 H new ATOM 0 HZ3 TRP B 90 10.522 -8.985 8.771 1.00 3.79 H new ATOM 0 HH2 TRP B 90 8.238 -9.861 8.510 1.00 4.06 H new ATOM 1876 N LEU B 91 12.202 -1.759 8.860 1.00 1.03 N ATOM 1877 CA LEU B 91 13.096 -0.664 9.220 1.00 1.05 C ATOM 1878 C LEU B 91 12.987 0.467 8.209 1.00 0.97 C ATOM 1879 O LEU B 91 12.801 1.624 8.582 1.00 0.99 O ATOM 1880 CB LEU B 91 14.545 -1.144 9.295 1.00 1.14 C ATOM 1881 CG LEU B 91 15.058 -1.476 10.698 1.00 1.32 C ATOM 1882 CD1 LEU B 91 16.487 -1.991 10.623 1.00 1.39 C ATOM 1883 CD2 LEU B 91 14.976 -0.255 11.605 1.00 1.43 C ATOM 0 H LEU B 91 12.676 -2.620 8.586 1.00 1.03 H new ATOM 0 HA LEU B 91 12.796 -0.298 10.202 1.00 1.05 H new ATOM 0 HB2 LEU B 91 14.648 -2.031 8.670 1.00 1.14 H new ATOM 0 HB3 LEU B 91 15.187 -0.375 8.865 1.00 1.14 H new ATOM 0 HG LEU B 91 14.426 -2.256 11.123 1.00 1.32 H new ATOM 0 HD11 LEU B 91 16.843 -2.224 11.627 1.00 1.39 H new ATOM 0 HD12 LEU B 91 16.518 -2.891 10.009 1.00 1.39 H new ATOM 0 HD13 LEU B 91 17.126 -1.227 10.180 1.00 1.39 H new ATOM 0 HD21 LEU B 91 15.346 -0.513 12.597 1.00 1.43 H new ATOM 0 HD22 LEU B 91 15.584 0.549 11.189 1.00 1.43 H new ATOM 0 HD23 LEU B 91 13.940 0.075 11.678 1.00 1.43 H new ATOM 1895 N THR B 92 13.093 0.125 6.930 1.00 0.92 N ATOM 1896 CA THR B 92 13.005 1.112 5.867 1.00 0.88 C ATOM 1897 C THR B 92 11.648 1.803 5.885 1.00 0.81 C ATOM 1898 O THR B 92 11.558 3.022 5.721 1.00 0.82 O ATOM 1899 CB THR B 92 13.222 0.474 4.487 1.00 0.92 C ATOM 1900 OG1 THR B 92 13.949 -0.752 4.621 1.00 0.97 O ATOM 1901 CG2 THR B 92 13.982 1.420 3.576 1.00 1.06 C ATOM 0 H THR B 92 13.240 -0.831 6.606 1.00 0.92 H new ATOM 0 HA THR B 92 13.793 1.844 6.044 1.00 0.88 H new ATOM 0 HB THR B 92 12.246 0.269 4.046 1.00 0.92 H new ATOM 0 HG1 THR B 92 14.773 -0.590 5.127 1.00 0.97 H new ATOM 0 HG21 THR B 92 14.126 0.951 2.603 1.00 1.06 H new ATOM 0 HG22 THR B 92 13.414 2.342 3.453 1.00 1.06 H new ATOM 0 HG23 THR B 92 14.953 1.648 4.016 1.00 1.06 H new ATOM 1909 N ALA B 93 10.601 1.016 6.104 1.00 0.79 N ATOM 1910 CA ALA B 93 9.245 1.538 6.159 1.00 0.79 C ATOM 1911 C ALA B 93 9.109 2.550 7.287 1.00 0.84 C ATOM 1912 O ALA B 93 8.584 3.646 7.091 1.00 0.84 O ATOM 1913 CB ALA B 93 8.251 0.402 6.341 1.00 0.82 C ATOM 0 H ALA B 93 10.669 0.008 6.247 1.00 0.79 H new ATOM 0 HA ALA B 93 9.028 2.042 5.217 1.00 0.79 H new ATOM 0 HB1 ALA B 93 7.240 0.806 6.381 1.00 0.82 H new ATOM 0 HB2 ALA B 93 8.332 -0.290 5.503 1.00 0.82 H new ATOM 0 HB3 ALA B 93 8.467 -0.126 7.270 1.00 0.82 H new ATOM 1919 N TYR B 94 9.617 2.185 8.458 1.00 0.93 N ATOM 1920 CA TYR B 94 9.559 3.053 9.626 1.00 1.04 C ATOM 1921 C TYR B 94 10.425 4.293 9.417 1.00 1.05 C ATOM 1922 O TYR B 94 10.021 5.407 9.756 1.00 1.10 O ATOM 1923 CB TYR B 94 10.011 2.286 10.871 1.00 1.17 C ATOM 1924 CG TYR B 94 9.574 2.924 12.172 1.00 1.28 C ATOM 1925 CD1 TYR B 94 8.241 3.247 12.394 1.00 1.35 C ATOM 1926 CD2 TYR B 94 10.492 3.203 13.175 1.00 1.44 C ATOM 1927 CE1 TYR B 94 7.836 3.831 13.578 1.00 1.50 C ATOM 1928 CE2 TYR B 94 10.096 3.785 14.363 1.00 1.57 C ATOM 1929 CZ TYR B 94 8.767 4.098 14.560 1.00 1.57 C ATOM 1930 OH TYR B 94 8.365 4.679 15.743 1.00 1.76 O ATOM 0 H TYR B 94 10.076 1.289 8.623 1.00 0.93 H new ATOM 0 HA TYR B 94 8.529 3.378 9.769 1.00 1.04 H new ATOM 0 HB2 TYR B 94 9.617 1.271 10.824 1.00 1.17 H new ATOM 0 HB3 TYR B 94 11.098 2.207 10.863 1.00 1.17 H new ATOM 0 HD1 TYR B 94 7.509 3.038 11.628 1.00 1.35 H new ATOM 0 HD2 TYR B 94 11.534 2.961 13.024 1.00 1.44 H new ATOM 0 HE1 TYR B 94 6.796 4.077 13.734 1.00 1.50 H new ATOM 0 HE2 TYR B 94 10.823 3.994 15.134 1.00 1.57 H new ATOM 0 HH TYR B 94 9.141 4.799 16.329 1.00 1.76 H new ATOM 1940 N ASN B 95 11.605 4.090 8.839 1.00 1.03 N ATOM 1941 CA ASN B 95 12.534 5.182 8.566 1.00 1.08 C ATOM 1942 C ASN B 95 11.868 6.224 7.670 1.00 1.04 C ATOM 1943 O ASN B 95 11.964 7.424 7.916 1.00 1.12 O ATOM 1944 CB ASN B 95 13.805 4.638 7.904 1.00 1.08 C ATOM 1945 CG ASN B 95 14.928 5.658 7.823 1.00 1.09 C ATOM 1946 OD1 ASN B 95 15.000 6.597 8.617 1.00 1.22 O ATOM 1947 ND2 ASN B 95 15.827 5.466 6.868 1.00 1.47 N ATOM 0 H ASN B 95 11.942 3.172 8.549 1.00 1.03 H new ATOM 0 HA ASN B 95 12.810 5.658 9.507 1.00 1.08 H new ATOM 0 HB2 ASN B 95 14.153 3.769 8.463 1.00 1.08 H new ATOM 0 HB3 ASN B 95 13.563 4.294 6.898 1.00 1.08 H new ATOM 0 HD21 ASN B 95 16.614 6.108 6.771 1.00 1.47 H new ATOM 0 HD22 ASN B 95 15.732 4.676 6.230 1.00 1.47 H new ATOM 1954 N PHE B 96 11.172 5.749 6.643 1.00 0.93 N ATOM 1955 CA PHE B 96 10.469 6.628 5.716 1.00 0.91 C ATOM 1956 C PHE B 96 9.255 7.266 6.397 1.00 0.91 C ATOM 1957 O PHE B 96 8.951 8.443 6.183 1.00 0.92 O ATOM 1958 CB PHE B 96 10.039 5.836 4.470 1.00 0.88 C ATOM 1959 CG PHE B 96 9.020 6.531 3.607 1.00 0.97 C ATOM 1960 CD1 PHE B 96 9.378 7.608 2.810 1.00 1.16 C ATOM 1961 CD2 PHE B 96 7.699 6.104 3.597 1.00 0.99 C ATOM 1962 CE1 PHE B 96 8.438 8.243 2.020 1.00 1.32 C ATOM 1963 CE2 PHE B 96 6.759 6.737 2.809 1.00 1.19 C ATOM 1964 CZ PHE B 96 7.128 7.807 2.021 1.00 1.33 C ATOM 0 H PHE B 96 11.080 4.756 6.431 1.00 0.93 H new ATOM 0 HA PHE B 96 11.142 7.428 5.408 1.00 0.91 H new ATOM 0 HB2 PHE B 96 10.922 5.624 3.867 1.00 0.88 H new ATOM 0 HB3 PHE B 96 9.632 4.876 4.788 1.00 0.88 H new ATOM 0 HD1 PHE B 96 10.401 7.954 2.807 1.00 1.16 H new ATOM 0 HD2 PHE B 96 7.404 5.267 4.213 1.00 0.99 H new ATOM 0 HE1 PHE B 96 8.728 9.080 1.402 1.00 1.32 H new ATOM 0 HE2 PHE B 96 5.735 6.394 2.810 1.00 1.19 H new ATOM 0 HZ PHE B 96 6.393 8.304 1.405 1.00 1.33 H new ATOM 1974 N LEU B 97 8.587 6.481 7.237 1.00 0.93 N ATOM 1975 CA LEU B 97 7.401 6.931 7.962 1.00 1.00 C ATOM 1976 C LEU B 97 7.696 8.152 8.827 1.00 1.09 C ATOM 1977 O LEU B 97 6.946 9.124 8.817 1.00 1.10 O ATOM 1978 CB LEU B 97 6.867 5.802 8.847 1.00 1.06 C ATOM 1979 CG LEU B 97 5.443 5.340 8.531 1.00 1.28 C ATOM 1980 CD1 LEU B 97 5.390 4.612 7.195 1.00 1.30 C ATOM 1981 CD2 LEU B 97 4.916 4.451 9.646 1.00 1.48 C ATOM 0 H LEU B 97 8.851 5.516 7.435 1.00 0.93 H new ATOM 0 HA LEU B 97 6.652 7.211 7.221 1.00 1.00 H new ATOM 0 HB2 LEU B 97 7.537 4.946 8.759 1.00 1.06 H new ATOM 0 HB3 LEU B 97 6.903 6.129 9.886 1.00 1.06 H new ATOM 0 HG LEU B 97 4.807 6.222 8.459 1.00 1.28 H new ATOM 0 HD11 LEU B 97 4.367 4.294 6.994 1.00 1.30 H new ATOM 0 HD12 LEU B 97 5.724 5.281 6.402 1.00 1.30 H new ATOM 0 HD13 LEU B 97 6.041 3.738 7.231 1.00 1.30 H new ATOM 0 HD21 LEU B 97 3.902 4.130 9.407 1.00 1.48 H new ATOM 0 HD22 LEU B 97 5.559 3.577 9.749 1.00 1.48 H new ATOM 0 HD23 LEU B 97 4.909 5.008 10.583 1.00 1.48 H new ATOM 1993 N GLN B 98 8.791 8.102 9.573 1.00 1.19 N ATOM 1994 CA GLN B 98 9.160 9.211 10.445 1.00 1.31 C ATOM 1995 C GLN B 98 9.846 10.323 9.656 1.00 1.30 C ATOM 1996 O GLN B 98 9.885 11.473 10.092 1.00 1.39 O ATOM 1997 CB GLN B 98 10.068 8.727 11.580 1.00 1.43 C ATOM 1998 CG GLN B 98 11.324 8.016 11.105 1.00 2.02 C ATOM 1999 CD GLN B 98 11.819 6.995 12.107 1.00 2.69 C ATOM 2000 OE1 GLN B 98 11.040 6.443 12.882 1.00 2.73 O ATOM 2001 NE2 GLN B 98 13.114 6.739 12.097 1.00 3.60 N ATOM 0 H GLN B 98 9.436 7.312 9.593 1.00 1.19 H new ATOM 0 HA GLN B 98 8.245 9.614 10.879 1.00 1.31 H new ATOM 0 HB2 GLN B 98 10.356 9.582 12.191 1.00 1.43 H new ATOM 0 HB3 GLN B 98 9.502 8.053 12.222 1.00 1.43 H new ATOM 0 HG2 GLN B 98 11.122 7.521 10.155 1.00 2.02 H new ATOM 0 HG3 GLN B 98 12.108 8.751 10.921 1.00 2.02 H new ATOM 0 HE21 GLN B 98 13.724 7.221 11.436 1.00 3.60 H new ATOM 0 HE22 GLN B 98 13.505 6.060 12.750 1.00 3.60 H new ATOM 2010 N LYS B 99 10.377 9.975 8.493 1.00 1.21 N ATOM 2011 CA LYS B 99 11.061 10.943 7.652 1.00 1.23 C ATOM 2012 C LYS B 99 10.070 11.896 6.990 1.00 1.18 C ATOM 2013 O LYS B 99 10.221 13.117 7.072 1.00 1.22 O ATOM 2014 CB LYS B 99 11.896 10.230 6.586 1.00 1.19 C ATOM 2015 CG LYS B 99 12.689 11.176 5.698 1.00 1.18 C ATOM 2016 CD LYS B 99 12.294 11.023 4.241 1.00 1.26 C ATOM 2017 CE LYS B 99 12.728 12.226 3.420 1.00 1.39 C ATOM 2018 NZ LYS B 99 12.169 12.187 2.042 1.00 1.59 N ATOM 0 H LYS B 99 10.347 9.030 8.111 1.00 1.21 H new ATOM 0 HA LYS B 99 11.724 11.529 8.289 1.00 1.23 H new ATOM 0 HB2 LYS B 99 12.585 9.543 7.076 1.00 1.19 H new ATOM 0 HB3 LYS B 99 11.235 9.628 5.962 1.00 1.19 H new ATOM 0 HG2 LYS B 99 12.521 12.205 6.017 1.00 1.18 H new ATOM 0 HG3 LYS B 99 13.755 10.977 5.811 1.00 1.18 H new ATOM 0 HD2 LYS B 99 12.747 10.119 3.833 1.00 1.26 H new ATOM 0 HD3 LYS B 99 11.214 10.900 4.166 1.00 1.26 H new ATOM 0 HE2 LYS B 99 12.405 13.141 3.917 1.00 1.39 H new ATOM 0 HE3 LYS B 99 13.816 12.258 3.370 1.00 1.39 H new ATOM 0 HZ1 LYS B 99 12.222 13.136 1.619 1.00 1.59 H new ATOM 0 HZ2 LYS B 99 12.717 11.519 1.464 1.00 1.59 H new ATOM 0 HZ3 LYS B 99 11.176 11.879 2.079 1.00 1.59 H new ATOM 2032 N ASN B 100 9.050 11.342 6.349 1.00 1.12 N ATOM 2033 CA ASN B 100 8.055 12.162 5.662 1.00 1.11 C ATOM 2034 C ASN B 100 6.813 12.390 6.520 1.00 1.13 C ATOM 2035 O ASN B 100 5.858 13.026 6.071 1.00 1.12 O ATOM 2036 CB ASN B 100 7.660 11.524 4.329 1.00 1.07 C ATOM 2037 CG ASN B 100 8.449 12.087 3.161 1.00 1.32 C ATOM 2038 OD1 ASN B 100 9.502 11.566 2.791 1.00 1.75 O ATOM 2039 ND2 ASN B 100 7.945 13.158 2.572 1.00 1.49 N ATOM 0 H ASN B 100 8.888 10.337 6.289 1.00 1.12 H new ATOM 0 HA ASN B 100 8.513 13.133 5.474 1.00 1.11 H new ATOM 0 HB2 ASN B 100 7.817 10.447 4.384 1.00 1.07 H new ATOM 0 HB3 ASN B 100 6.596 11.682 4.155 1.00 1.07 H new ATOM 0 HD21 ASN B 100 8.431 13.582 1.782 1.00 1.49 H new ATOM 0 HD22 ASN B 100 7.070 13.560 2.908 1.00 1.49 H new ATOM 2046 N ASP B 101 6.840 11.864 7.741 1.00 1.19 N ATOM 2047 CA ASP B 101 5.734 12.007 8.698 1.00 1.24 C ATOM 2048 C ASP B 101 4.451 11.357 8.189 1.00 1.23 C ATOM 2049 O ASP B 101 3.547 12.032 7.690 1.00 1.33 O ATOM 2050 CB ASP B 101 5.477 13.481 9.035 1.00 1.27 C ATOM 2051 CG ASP B 101 6.247 13.937 10.254 1.00 1.36 C ATOM 2052 OD1 ASP B 101 5.736 13.769 11.382 1.00 1.79 O ATOM 2053 OD2 ASP B 101 7.368 14.465 10.090 1.00 1.84 O ATOM 0 H ASP B 101 7.628 11.325 8.101 1.00 1.19 H new ATOM 0 HA ASP B 101 6.038 11.487 9.607 1.00 1.24 H new ATOM 0 HB2 ASP B 101 5.754 14.100 8.181 1.00 1.27 H new ATOM 0 HB3 ASP B 101 4.411 13.631 9.205 1.00 1.27 H new ATOM 2058 N LEU B 102 4.381 10.041 8.317 1.00 1.15 N ATOM 2059 CA LEU B 102 3.211 9.287 7.886 1.00 1.17 C ATOM 2060 C LEU B 102 2.563 8.586 9.075 1.00 1.23 C ATOM 2061 O LEU B 102 3.143 8.510 10.159 1.00 1.28 O ATOM 2062 CB LEU B 102 3.583 8.247 6.821 1.00 1.11 C ATOM 2063 CG LEU B 102 3.806 8.781 5.401 1.00 1.26 C ATOM 2064 CD1 LEU B 102 2.826 9.899 5.069 1.00 1.96 C ATOM 2065 CD2 LEU B 102 5.238 9.253 5.227 1.00 1.50 C ATOM 0 H LEU B 102 5.124 9.469 8.718 1.00 1.15 H new ATOM 0 HA LEU B 102 2.504 9.994 7.451 1.00 1.17 H new ATOM 0 HB2 LEU B 102 4.492 7.738 7.142 1.00 1.11 H new ATOM 0 HB3 LEU B 102 2.793 7.497 6.785 1.00 1.11 H new ATOM 0 HG LEU B 102 3.624 7.963 4.704 1.00 1.26 H new ATOM 0 HD11 LEU B 102 3.011 10.256 4.056 1.00 1.96 H new ATOM 0 HD12 LEU B 102 1.806 9.522 5.141 1.00 1.96 H new ATOM 0 HD13 LEU B 102 2.959 10.721 5.773 1.00 1.96 H new ATOM 0 HD21 LEU B 102 5.377 9.628 4.213 1.00 1.50 H new ATOM 0 HD22 LEU B 102 5.448 10.050 5.941 1.00 1.50 H new ATOM 0 HD23 LEU B 102 5.919 8.420 5.402 1.00 1.50 H new ATOM 2077 N ASN B 103 1.357 8.080 8.867 1.00 1.25 N ATOM 2078 CA ASN B 103 0.624 7.374 9.912 1.00 1.31 C ATOM 2079 C ASN B 103 1.108 5.928 9.997 1.00 1.23 C ATOM 2080 O ASN B 103 1.418 5.327 8.970 1.00 1.14 O ATOM 2081 CB ASN B 103 -0.882 7.413 9.607 1.00 1.37 C ATOM 2082 CG ASN B 103 -1.727 6.744 10.676 1.00 1.43 C ATOM 2083 OD1 ASN B 103 -1.910 5.529 10.669 1.00 1.34 O ATOM 2084 ND2 ASN B 103 -2.257 7.532 11.598 1.00 1.84 N ATOM 0 H ASN B 103 0.861 8.145 7.978 1.00 1.25 H new ATOM 0 HA ASN B 103 0.803 7.862 10.870 1.00 1.31 H new ATOM 0 HB2 ASN B 103 -1.198 8.451 9.500 1.00 1.37 H new ATOM 0 HB3 ASN B 103 -1.065 6.924 8.650 1.00 1.37 H new ATOM 0 HD21 ASN B 103 -2.840 7.135 12.335 1.00 1.84 H new ATOM 0 HD22 ASN B 103 -2.083 8.537 11.572 1.00 1.84 H new ATOM 2091 N PRO B 104 1.200 5.357 11.217 1.00 1.29 N ATOM 2092 CA PRO B 104 1.643 3.966 11.432 1.00 1.25 C ATOM 2093 C PRO B 104 0.940 2.944 10.529 1.00 1.19 C ATOM 2094 O PRO B 104 1.496 1.888 10.238 1.00 1.15 O ATOM 2095 CB PRO B 104 1.286 3.712 12.896 1.00 1.34 C ATOM 2096 CG PRO B 104 1.383 5.050 13.536 1.00 1.55 C ATOM 2097 CD PRO B 104 0.919 6.036 12.500 1.00 1.41 C ATOM 0 HA PRO B 104 2.700 3.848 11.194 1.00 1.25 H new ATOM 0 HB2 PRO B 104 0.283 3.296 12.994 1.00 1.34 H new ATOM 0 HB3 PRO B 104 1.973 3.001 13.355 1.00 1.34 H new ATOM 0 HG2 PRO B 104 0.762 5.101 14.430 1.00 1.55 H new ATOM 0 HG3 PRO B 104 2.406 5.262 13.846 1.00 1.55 H new ATOM 0 HD2 PRO B 104 -0.142 6.262 12.609 1.00 1.41 H new ATOM 0 HD3 PRO B 104 1.456 6.981 12.578 1.00 1.41 H new ATOM 2105 N MET B 105 -0.272 3.261 10.080 1.00 1.21 N ATOM 2106 CA MET B 105 -1.031 2.366 9.207 1.00 1.20 C ATOM 2107 C MET B 105 -0.322 2.188 7.860 1.00 1.13 C ATOM 2108 O MET B 105 -0.485 1.172 7.187 1.00 1.16 O ATOM 2109 CB MET B 105 -2.442 2.922 8.982 1.00 1.27 C ATOM 2110 CG MET B 105 -3.416 1.926 8.370 1.00 1.26 C ATOM 2111 SD MET B 105 -3.880 0.610 9.514 1.00 1.64 S ATOM 2112 CE MET B 105 -4.675 1.547 10.821 1.00 1.78 C ATOM 0 H MET B 105 -0.751 4.132 10.306 1.00 1.21 H new ATOM 0 HA MET B 105 -1.100 1.393 9.693 1.00 1.20 H new ATOM 0 HB2 MET B 105 -2.842 3.264 9.937 1.00 1.27 H new ATOM 0 HB3 MET B 105 -2.377 3.795 8.333 1.00 1.27 H new ATOM 0 HG2 MET B 105 -4.313 2.454 8.047 1.00 1.26 H new ATOM 0 HG3 MET B 105 -2.967 1.486 7.480 1.00 1.26 H new ATOM 0 HE1 MET B 105 -5.367 0.902 11.362 1.00 1.78 H new ATOM 0 HE2 MET B 105 -3.919 1.926 11.509 1.00 1.78 H new ATOM 0 HE3 MET B 105 -5.223 2.384 10.387 1.00 1.78 H new ATOM 2122 N PHE B 106 0.477 3.183 7.488 1.00 1.06 N ATOM 2123 CA PHE B 106 1.217 3.154 6.229 1.00 1.02 C ATOM 2124 C PHE B 106 2.379 2.167 6.294 1.00 0.94 C ATOM 2125 O PHE B 106 2.876 1.719 5.261 1.00 0.87 O ATOM 2126 CB PHE B 106 1.761 4.548 5.901 1.00 1.07 C ATOM 2127 CG PHE B 106 0.942 5.311 4.899 1.00 1.15 C ATOM 2128 CD1 PHE B 106 0.646 4.762 3.664 1.00 1.28 C ATOM 2129 CD2 PHE B 106 0.479 6.584 5.191 1.00 1.30 C ATOM 2130 CE1 PHE B 106 -0.099 5.465 2.737 1.00 1.47 C ATOM 2131 CE2 PHE B 106 -0.263 7.293 4.267 1.00 1.45 C ATOM 2132 CZ PHE B 106 -0.553 6.733 3.039 1.00 1.49 C ATOM 0 H PHE B 106 0.630 4.025 8.044 1.00 1.06 H new ATOM 0 HA PHE B 106 0.527 2.834 5.448 1.00 1.02 H new ATOM 0 HB2 PHE B 106 1.820 5.128 6.822 1.00 1.07 H new ATOM 0 HB3 PHE B 106 2.778 4.448 5.521 1.00 1.07 H new ATOM 0 HD1 PHE B 106 1.002 3.772 3.422 1.00 1.28 H new ATOM 0 HD2 PHE B 106 0.701 7.026 6.151 1.00 1.30 H new ATOM 0 HE1 PHE B 106 -0.326 5.023 1.778 1.00 1.47 H new ATOM 0 HE2 PHE B 106 -0.616 8.285 4.505 1.00 1.45 H new ATOM 0 HZ PHE B 106 -1.134 7.286 2.316 1.00 1.49 H new ATOM 2142 N LEU B 107 2.795 1.828 7.514 1.00 0.98 N ATOM 2143 CA LEU B 107 3.915 0.914 7.737 1.00 0.93 C ATOM 2144 C LEU B 107 3.717 -0.406 7.004 1.00 0.89 C ATOM 2145 O LEU B 107 4.543 -0.795 6.184 1.00 0.84 O ATOM 2146 CB LEU B 107 4.092 0.649 9.235 1.00 1.01 C ATOM 2147 CG LEU B 107 5.232 -0.304 9.609 1.00 0.95 C ATOM 2148 CD1 LEU B 107 6.568 0.418 9.553 1.00 0.94 C ATOM 2149 CD2 LEU B 107 4.997 -0.893 10.993 1.00 1.08 C ATOM 0 H LEU B 107 2.368 2.177 8.372 1.00 0.98 H new ATOM 0 HA LEU B 107 4.812 1.391 7.341 1.00 0.93 H new ATOM 0 HB2 LEU B 107 4.260 1.602 9.737 1.00 1.01 H new ATOM 0 HB3 LEU B 107 3.159 0.242 9.626 1.00 1.01 H new ATOM 0 HG LEU B 107 5.254 -1.120 8.887 1.00 0.95 H new ATOM 0 HD11 LEU B 107 7.367 -0.273 9.821 1.00 0.94 H new ATOM 0 HD12 LEU B 107 6.737 0.793 8.544 1.00 0.94 H new ATOM 0 HD13 LEU B 107 6.560 1.253 10.254 1.00 0.94 H new ATOM 0 HD21 LEU B 107 5.815 -1.568 11.245 1.00 1.08 H new ATOM 0 HD22 LEU B 107 4.951 -0.089 11.728 1.00 1.08 H new ATOM 0 HD23 LEU B 107 4.057 -1.444 10.999 1.00 1.08 H new ATOM 2161 N ASP B 108 2.609 -1.075 7.288 1.00 0.96 N ATOM 2162 CA ASP B 108 2.310 -2.362 6.668 1.00 0.96 C ATOM 2163 C ASP B 108 2.154 -2.230 5.156 1.00 0.90 C ATOM 2164 O ASP B 108 2.629 -3.074 4.403 1.00 0.88 O ATOM 2165 CB ASP B 108 1.038 -2.956 7.273 1.00 1.09 C ATOM 2166 CG ASP B 108 0.741 -4.352 6.759 1.00 1.08 C ATOM 2167 OD1 ASP B 108 1.674 -5.178 6.687 1.00 1.22 O ATOM 2168 OD2 ASP B 108 -0.434 -4.640 6.442 1.00 1.40 O ATOM 0 H ASP B 108 1.900 -0.749 7.945 1.00 0.96 H new ATOM 0 HA ASP B 108 3.149 -3.029 6.864 1.00 0.96 H new ATOM 0 HB2 ASP B 108 1.137 -2.986 8.358 1.00 1.09 H new ATOM 0 HB3 ASP B 108 0.195 -2.303 7.048 1.00 1.09 H new ATOM 2173 N GLN B 109 1.518 -1.151 4.718 1.00 0.91 N ATOM 2174 CA GLN B 109 1.285 -0.921 3.295 1.00 0.90 C ATOM 2175 C GLN B 109 2.588 -0.850 2.500 1.00 0.86 C ATOM 2176 O GLN B 109 2.741 -1.529 1.484 1.00 0.91 O ATOM 2177 CB GLN B 109 0.499 0.372 3.082 1.00 0.96 C ATOM 2178 CG GLN B 109 0.065 0.579 1.640 1.00 0.92 C ATOM 2179 CD GLN B 109 -0.193 2.035 1.309 1.00 1.16 C ATOM 2180 OE1 GLN B 109 -1.305 2.532 1.462 1.00 1.34 O ATOM 2181 NE2 GLN B 109 0.836 2.727 0.843 1.00 1.66 N ATOM 0 H GLN B 109 1.153 -0.419 5.328 1.00 0.91 H new ATOM 0 HA GLN B 109 0.709 -1.772 2.931 1.00 0.90 H new ATOM 0 HB2 GLN B 109 -0.383 0.363 3.722 1.00 0.96 H new ATOM 0 HB3 GLN B 109 1.111 1.218 3.395 1.00 0.96 H new ATOM 0 HG2 GLN B 109 0.835 0.190 0.974 1.00 0.92 H new ATOM 0 HG3 GLN B 109 -0.840 0.002 1.451 1.00 0.92 H new ATOM 0 HE21 GLN B 109 1.744 2.277 0.730 1.00 1.66 H new ATOM 0 HE22 GLN B 109 0.720 3.710 0.597 1.00 1.66 H new ATOM 2190 N VAL B 110 3.525 -0.031 2.959 1.00 0.80 N ATOM 2191 CA VAL B 110 4.791 0.133 2.257 1.00 0.79 C ATOM 2192 C VAL B 110 5.744 -1.036 2.506 1.00 0.76 C ATOM 2193 O VAL B 110 6.510 -1.415 1.620 1.00 0.79 O ATOM 2194 CB VAL B 110 5.483 1.466 2.622 1.00 0.80 C ATOM 2195 CG1 VAL B 110 4.635 2.648 2.174 1.00 0.91 C ATOM 2196 CG2 VAL B 110 5.773 1.553 4.113 1.00 0.75 C ATOM 0 H VAL B 110 3.434 0.527 3.808 1.00 0.80 H new ATOM 0 HA VAL B 110 4.547 0.151 1.195 1.00 0.79 H new ATOM 0 HB VAL B 110 6.437 1.500 2.095 1.00 0.80 H new ATOM 0 HG11 VAL B 110 5.138 3.578 2.439 1.00 0.91 H new ATOM 0 HG12 VAL B 110 4.495 2.607 1.094 1.00 0.91 H new ATOM 0 HG13 VAL B 110 3.664 2.607 2.668 1.00 0.91 H new ATOM 0 HG21 VAL B 110 6.260 2.503 4.334 1.00 0.75 H new ATOM 0 HG22 VAL B 110 4.838 1.486 4.670 1.00 0.75 H new ATOM 0 HG23 VAL B 110 6.429 0.733 4.405 1.00 0.75 H new ATOM 2206 N ALA B 111 5.686 -1.620 3.698 1.00 0.75 N ATOM 2207 CA ALA B 111 6.558 -2.738 4.036 1.00 0.75 C ATOM 2208 C ALA B 111 6.188 -3.981 3.241 1.00 0.75 C ATOM 2209 O ALA B 111 7.061 -4.748 2.845 1.00 0.75 O ATOM 2210 CB ALA B 111 6.512 -3.036 5.527 1.00 0.77 C ATOM 0 H ALA B 111 5.048 -1.339 4.443 1.00 0.75 H new ATOM 0 HA ALA B 111 7.576 -2.451 3.773 1.00 0.75 H new ATOM 0 HB1 ALA B 111 7.172 -3.874 5.751 1.00 0.77 H new ATOM 0 HB2 ALA B 111 6.839 -2.158 6.084 1.00 0.77 H new ATOM 0 HB3 ALA B 111 5.492 -3.290 5.816 1.00 0.77 H new ATOM 2216 N LYS B 112 4.895 -4.165 2.998 1.00 0.76 N ATOM 2217 CA LYS B 112 4.405 -5.324 2.257 1.00 0.77 C ATOM 2218 C LYS B 112 5.018 -5.409 0.867 1.00 0.78 C ATOM 2219 O LYS B 112 5.384 -6.494 0.418 1.00 0.83 O ATOM 2220 CB LYS B 112 2.886 -5.284 2.148 1.00 0.80 C ATOM 2221 CG LYS B 112 2.180 -5.873 3.352 1.00 0.85 C ATOM 2222 CD LYS B 112 2.116 -7.386 3.282 1.00 0.93 C ATOM 2223 CE LYS B 112 1.755 -7.984 4.631 1.00 1.04 C ATOM 2224 NZ LYS B 112 0.719 -7.183 5.332 1.00 1.14 N ATOM 0 H LYS B 112 4.163 -3.524 3.305 1.00 0.76 H new ATOM 0 HA LYS B 112 4.706 -6.212 2.812 1.00 0.77 H new ATOM 0 HB2 LYS B 112 2.566 -4.250 2.018 1.00 0.80 H new ATOM 0 HB3 LYS B 112 2.579 -5.827 1.254 1.00 0.80 H new ATOM 0 HG2 LYS B 112 2.700 -5.573 4.261 1.00 0.85 H new ATOM 0 HG3 LYS B 112 1.170 -5.469 3.415 1.00 0.85 H new ATOM 0 HD2 LYS B 112 1.378 -7.687 2.539 1.00 0.93 H new ATOM 0 HD3 LYS B 112 3.078 -7.778 2.953 1.00 0.93 H new ATOM 0 HE2 LYS B 112 1.394 -9.003 4.492 1.00 1.04 H new ATOM 0 HE3 LYS B 112 2.649 -8.045 5.252 1.00 1.04 H new ATOM 0 HZ1 LYS B 112 0.390 -7.700 6.172 1.00 1.14 H new ATOM 0 HZ2 LYS B 112 1.124 -6.270 5.623 1.00 1.14 H new ATOM 0 HZ3 LYS B 112 -0.084 -7.017 4.692 1.00 1.14 H new ATOM 2238 N PHE B 113 5.139 -4.270 0.193 1.00 0.78 N ATOM 2239 CA PHE B 113 5.715 -4.245 -1.146 1.00 0.83 C ATOM 2240 C PHE B 113 7.181 -4.659 -1.089 1.00 0.84 C ATOM 2241 O PHE B 113 7.681 -5.354 -1.972 1.00 0.95 O ATOM 2242 CB PHE B 113 5.573 -2.854 -1.773 1.00 0.87 C ATOM 2243 CG PHE B 113 5.795 -2.842 -3.259 1.00 1.11 C ATOM 2244 CD1 PHE B 113 4.985 -3.588 -4.101 1.00 1.29 C ATOM 2245 CD2 PHE B 113 6.812 -2.084 -3.815 1.00 1.76 C ATOM 2246 CE1 PHE B 113 5.188 -3.581 -5.468 1.00 1.57 C ATOM 2247 CE2 PHE B 113 7.018 -2.073 -5.180 1.00 2.06 C ATOM 2248 CZ PHE B 113 6.206 -2.822 -6.006 1.00 1.78 C ATOM 0 H PHE B 113 4.848 -3.359 0.549 1.00 0.78 H new ATOM 0 HA PHE B 113 5.172 -4.954 -1.772 1.00 0.83 H new ATOM 0 HB2 PHE B 113 4.576 -2.468 -1.559 1.00 0.87 H new ATOM 0 HB3 PHE B 113 6.285 -2.177 -1.302 1.00 0.87 H new ATOM 0 HD1 PHE B 113 4.185 -4.182 -3.684 1.00 1.29 H new ATOM 0 HD2 PHE B 113 7.451 -1.495 -3.174 1.00 1.76 H new ATOM 0 HE1 PHE B 113 4.551 -4.168 -6.113 1.00 1.57 H new ATOM 0 HE2 PHE B 113 7.815 -1.478 -5.601 1.00 2.06 H new ATOM 0 HZ PHE B 113 6.367 -2.814 -7.074 1.00 1.78 H new ATOM 2258 N ILE B 114 7.863 -4.237 -0.032 1.00 0.75 N ATOM 2259 CA ILE B 114 9.263 -4.578 0.157 1.00 0.79 C ATOM 2260 C ILE B 114 9.393 -6.056 0.516 1.00 0.85 C ATOM 2261 O ILE B 114 10.257 -6.764 -0.003 1.00 0.93 O ATOM 2262 CB ILE B 114 9.906 -3.721 1.266 1.00 0.76 C ATOM 2263 CG1 ILE B 114 9.664 -2.232 1.000 1.00 0.72 C ATOM 2264 CG2 ILE B 114 11.398 -4.008 1.356 1.00 0.89 C ATOM 2265 CD1 ILE B 114 10.132 -1.328 2.124 1.00 0.69 C ATOM 0 H ILE B 114 7.467 -3.657 0.708 1.00 0.75 H new ATOM 0 HA ILE B 114 9.786 -4.376 -0.778 1.00 0.79 H new ATOM 0 HB ILE B 114 9.443 -3.981 2.218 1.00 0.76 H new ATOM 0 HG12 ILE B 114 10.176 -1.948 0.080 1.00 0.72 H new ATOM 0 HG13 ILE B 114 8.599 -2.070 0.835 1.00 0.72 H new ATOM 0 HG21 ILE B 114 11.839 -3.396 2.143 1.00 0.89 H new ATOM 0 HG22 ILE B 114 11.553 -5.062 1.586 1.00 0.89 H new ATOM 0 HG23 ILE B 114 11.872 -3.771 0.403 1.00 0.89 H new ATOM 0 HD11 ILE B 114 9.928 -0.289 1.864 1.00 0.69 H new ATOM 0 HD12 ILE B 114 9.602 -1.584 3.041 1.00 0.69 H new ATOM 0 HD13 ILE B 114 11.203 -1.460 2.275 1.00 0.69 H new ATOM 2277 N ILE B 115 8.509 -6.517 1.395 1.00 0.84 N ATOM 2278 CA ILE B 115 8.503 -7.906 1.830 1.00 0.90 C ATOM 2279 C ILE B 115 8.217 -8.838 0.660 1.00 0.98 C ATOM 2280 O ILE B 115 8.940 -9.807 0.438 1.00 1.05 O ATOM 2281 CB ILE B 115 7.449 -8.151 2.937 1.00 0.89 C ATOM 2282 CG1 ILE B 115 7.844 -7.425 4.223 1.00 0.91 C ATOM 2283 CG2 ILE B 115 7.286 -9.642 3.203 1.00 0.95 C ATOM 2284 CD1 ILE B 115 6.737 -7.372 5.252 1.00 0.95 C ATOM 0 H ILE B 115 7.783 -5.942 1.822 1.00 0.84 H new ATOM 0 HA ILE B 115 9.493 -8.117 2.233 1.00 0.90 H new ATOM 0 HB ILE B 115 6.494 -7.754 2.592 1.00 0.89 H new ATOM 0 HG12 ILE B 115 8.711 -7.921 4.659 1.00 0.91 H new ATOM 0 HG13 ILE B 115 8.149 -6.408 3.977 1.00 0.91 H new ATOM 0 HG21 ILE B 115 6.541 -9.793 3.984 1.00 0.95 H new ATOM 0 HG22 ILE B 115 6.961 -10.141 2.290 1.00 0.95 H new ATOM 0 HG23 ILE B 115 8.239 -10.060 3.525 1.00 0.95 H new ATOM 0 HD11 ILE B 115 7.088 -6.843 6.138 1.00 0.95 H new ATOM 0 HD12 ILE B 115 5.877 -6.849 4.834 1.00 0.95 H new ATOM 0 HD13 ILE B 115 6.447 -8.386 5.527 1.00 0.95 H new ATOM 2296 N ASP B 116 7.172 -8.520 -0.097 1.00 1.03 N ATOM 2297 CA ASP B 116 6.771 -9.333 -1.239 1.00 1.15 C ATOM 2298 C ASP B 116 7.849 -9.346 -2.311 1.00 1.08 C ATOM 2299 O ASP B 116 7.981 -10.323 -3.051 1.00 1.16 O ATOM 2300 CB ASP B 116 5.454 -8.835 -1.827 1.00 1.29 C ATOM 2301 CG ASP B 116 4.546 -9.983 -2.208 1.00 1.56 C ATOM 2302 OD1 ASP B 116 4.036 -10.668 -1.291 1.00 1.57 O ATOM 2303 OD2 ASP B 116 4.343 -10.219 -3.417 1.00 2.13 O ATOM 0 H ASP B 116 6.585 -7.701 0.061 1.00 1.03 H new ATOM 0 HA ASP B 116 6.630 -10.353 -0.881 1.00 1.15 H new ATOM 0 HB2 ASP B 116 4.949 -8.196 -1.102 1.00 1.29 H new ATOM 0 HB3 ASP B 116 5.656 -8.222 -2.706 1.00 1.29 H new ATOM 2308 N ASN B 117 8.610 -8.261 -2.392 1.00 0.95 N ATOM 2309 CA ASN B 117 9.698 -8.156 -3.356 1.00 0.93 C ATOM 2310 C ASN B 117 10.751 -9.218 -3.058 1.00 0.95 C ATOM 2311 O ASN B 117 11.145 -9.985 -3.937 1.00 1.00 O ATOM 2312 CB ASN B 117 10.333 -6.763 -3.298 1.00 0.97 C ATOM 2313 CG ASN B 117 11.472 -6.593 -4.287 1.00 1.17 C ATOM 2314 OD1 ASN B 117 11.377 -7.008 -5.441 1.00 1.29 O ATOM 2315 ND2 ASN B 117 12.563 -5.990 -3.837 1.00 1.38 N ATOM 0 H ASN B 117 8.493 -7.439 -1.799 1.00 0.95 H new ATOM 0 HA ASN B 117 9.297 -8.314 -4.357 1.00 0.93 H new ATOM 0 HB2 ASN B 117 9.569 -6.012 -3.499 1.00 0.97 H new ATOM 0 HB3 ASN B 117 10.703 -6.579 -2.289 1.00 0.97 H new ATOM 0 HD21 ASN B 117 13.363 -5.856 -4.455 1.00 1.38 H new ATOM 0 HD22 ASN B 117 12.602 -5.660 -2.873 1.00 1.38 H new ATOM 2322 N THR B 118 11.182 -9.272 -1.804 1.00 1.00 N ATOM 2323 CA THR B 118 12.173 -10.245 -1.375 1.00 1.12 C ATOM 2324 C THR B 118 11.554 -11.641 -1.293 1.00 1.21 C ATOM 2325 O THR B 118 12.241 -12.652 -1.446 1.00 1.37 O ATOM 2326 CB THR B 118 12.764 -9.854 -0.008 1.00 1.19 C ATOM 2327 OG1 THR B 118 13.019 -8.443 0.017 1.00 1.29 O ATOM 2328 CG2 THR B 118 14.056 -10.609 0.268 1.00 1.57 C ATOM 0 H THR B 118 10.857 -8.649 -1.064 1.00 1.00 H new ATOM 0 HA THR B 118 12.975 -10.257 -2.113 1.00 1.12 H new ATOM 0 HB THR B 118 12.042 -10.116 0.765 1.00 1.19 H new ATOM 0 HG1 THR B 118 13.394 -8.194 0.888 1.00 1.29 H new ATOM 0 HG21 THR B 118 14.450 -10.312 1.240 1.00 1.57 H new ATOM 0 HG22 THR B 118 13.858 -11.681 0.268 1.00 1.57 H new ATOM 0 HG23 THR B 118 14.787 -10.375 -0.506 1.00 1.57 H new ATOM 2336 N LYS B 119 10.249 -11.686 -1.038 1.00 1.22 N ATOM 2337 CA LYS B 119 9.519 -12.947 -0.958 1.00 1.37 C ATOM 2338 C LYS B 119 9.420 -13.563 -2.349 1.00 1.41 C ATOM 2339 O LYS B 119 9.400 -14.784 -2.509 1.00 1.65 O ATOM 2340 CB LYS B 119 8.121 -12.715 -0.381 1.00 1.44 C ATOM 2341 CG LYS B 119 7.484 -13.961 0.218 1.00 1.57 C ATOM 2342 CD LYS B 119 6.043 -13.700 0.632 1.00 1.83 C ATOM 2343 CE LYS B 119 5.116 -13.667 -0.573 1.00 1.82 C ATOM 2344 NZ LYS B 119 3.804 -13.041 -0.258 1.00 1.87 N ATOM 0 H LYS B 119 9.673 -10.859 -0.883 1.00 1.22 H new ATOM 0 HA LYS B 119 10.054 -13.631 -0.298 1.00 1.37 H new ATOM 0 HB2 LYS B 119 8.180 -11.944 0.387 1.00 1.44 H new ATOM 0 HB3 LYS B 119 7.473 -12.331 -1.169 1.00 1.44 H new ATOM 0 HG2 LYS B 119 7.515 -14.773 -0.509 1.00 1.57 H new ATOM 0 HG3 LYS B 119 8.060 -14.286 1.084 1.00 1.57 H new ATOM 0 HD2 LYS B 119 5.715 -14.476 1.324 1.00 1.83 H new ATOM 0 HD3 LYS B 119 5.982 -12.751 1.166 1.00 1.83 H new ATOM 0 HE2 LYS B 119 5.595 -13.115 -1.382 1.00 1.82 H new ATOM 0 HE3 LYS B 119 4.954 -14.683 -0.932 1.00 1.82 H new ATOM 0 HZ1 LYS B 119 3.036 -13.683 -0.540 1.00 1.87 H new ATOM 0 HZ2 LYS B 119 3.744 -12.857 0.764 1.00 1.87 H new ATOM 0 HZ3 LYS B 119 3.713 -12.145 -0.777 1.00 1.87 H new ATOM 2358 N GLY B 120 9.349 -12.697 -3.351 1.00 1.52 N ATOM 2359 CA GLY B 120 9.291 -13.138 -4.726 1.00 1.69 C ATOM 2360 C GLY B 120 7.957 -13.730 -5.129 1.00 1.69 C ATOM 2361 O GLY B 120 7.915 -14.664 -5.926 1.00 2.16 O ATOM 0 H GLY B 120 9.331 -11.684 -3.230 1.00 1.52 H new ATOM 0 HA2 GLY B 120 9.513 -12.293 -5.377 1.00 1.69 H new ATOM 0 HA3 GLY B 120 10.071 -13.881 -4.891 1.00 1.69 H new ATOM 2365 N GLN B 121 6.860 -13.202 -4.603 1.00 1.54 N ATOM 2366 CA GLN B 121 5.545 -13.720 -4.969 1.00 1.83 C ATOM 2367 C GLN B 121 5.256 -13.381 -6.424 1.00 1.53 C ATOM 2368 O GLN B 121 4.898 -14.247 -7.221 1.00 1.76 O ATOM 2369 CB GLN B 121 4.448 -13.154 -4.068 1.00 2.41 C ATOM 2370 CG GLN B 121 3.054 -13.648 -4.425 1.00 3.25 C ATOM 2371 CD GLN B 121 1.969 -13.077 -3.530 1.00 3.93 C ATOM 2372 OE1 GLN B 121 0.985 -13.748 -3.226 1.00 4.44 O ATOM 2373 NE2 GLN B 121 2.132 -11.837 -3.101 1.00 4.31 N ATOM 0 H GLN B 121 6.850 -12.431 -3.935 1.00 1.54 H new ATOM 0 HA GLN B 121 5.553 -14.802 -4.837 1.00 1.83 H new ATOM 0 HB2 GLN B 121 4.665 -13.420 -3.034 1.00 2.41 H new ATOM 0 HB3 GLN B 121 4.465 -12.066 -4.128 1.00 2.41 H new ATOM 0 HG2 GLN B 121 2.837 -13.386 -5.460 1.00 3.25 H new ATOM 0 HG3 GLN B 121 3.034 -14.736 -4.361 1.00 3.25 H new ATOM 0 HE21 GLN B 121 2.961 -11.308 -3.373 1.00 4.31 H new ATOM 0 HE22 GLN B 121 1.429 -11.409 -2.498 1.00 4.31 H new ATOM 2382 N MET B 122 5.450 -12.115 -6.767 1.00 1.52 N ATOM 2383 CA MET B 122 5.232 -11.644 -8.129 1.00 1.72 C ATOM 2384 C MET B 122 6.536 -11.706 -8.923 1.00 1.91 C ATOM 2385 O MET B 122 6.788 -10.880 -9.799 1.00 2.38 O ATOM 2386 CB MET B 122 4.674 -10.212 -8.122 1.00 2.18 C ATOM 2387 CG MET B 122 5.484 -9.237 -7.277 1.00 2.58 C ATOM 2388 SD MET B 122 4.988 -7.520 -7.521 1.00 3.62 S ATOM 2389 CE MET B 122 5.834 -7.142 -9.054 1.00 3.50 C ATOM 0 H MET B 122 5.760 -11.392 -6.118 1.00 1.52 H new ATOM 0 HA MET B 122 4.500 -12.294 -8.609 1.00 1.72 H new ATOM 0 HB2 MET B 122 4.635 -9.843 -9.147 1.00 2.18 H new ATOM 0 HB3 MET B 122 3.649 -10.234 -7.751 1.00 2.18 H new ATOM 0 HG2 MET B 122 5.372 -9.496 -6.224 1.00 2.58 H new ATOM 0 HG3 MET B 122 6.541 -9.343 -7.521 1.00 2.58 H new ATOM 0 HE1 MET B 122 6.434 -6.241 -8.926 1.00 3.50 H new ATOM 0 HE2 MET B 122 6.483 -7.974 -9.326 1.00 3.50 H new ATOM 0 HE3 MET B 122 5.101 -6.980 -9.844 1.00 3.50 H new