USER MOD reduce.3.24.130724 H: found=0, std=0, add=984, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 984 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 72 GLN : amide:sc= -4.45! K(o=-4.1!,f=-6.7) USER MOD Set 1.2: A 115 GLN : amide:sc= 0.316 K(o=-4.1,f=-6.7!) USER MOD Set 2.1: A 44 ASN : amide:sc= -1.37 X(o=-1.1,f=-0.88!) USER MOD Set 2.2: A 47 SER OG : rot -170:sc= 0.226 USER MOD Set 3.1: A 7 GLN : amide:sc= 0 X(o=0.74,f=0.74) USER MOD Set 3.2: A 113 SER OG : rot -44:sc= 0.736 USER MOD Single : A 1 MET CE :methyl 165:sc= -0.0555 (180deg=-0.362) USER MOD Single : A 1 MET N :NH3+ -126:sc= 0.126 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.0376 USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 GLN :FLIP amide:sc= -6.33! C(o=-14!,f=-6.3!) USER MOD Single : A 19 HIS : no HD1:sc= -0.183 X(o=-0.18,f=-0.48) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 1.18 (180deg=1.18) USER MOD Single : A 23 GLN :FLIP amide:sc= -0.149 F(o=-2!,f=-0.15) USER MOD Single : A 26 ASN : amide:sc= 1.1 K(o=1.1,f=-0.22) USER MOD Single : A 32 SER OG : rot -160:sc= 0.354 USER MOD Single : A 39 GLN : amide:sc= 0.922 K(o=0.92,f=-0.15) USER MOD Single : A 42 SER OG : rot -32:sc= 0.334 USER MOD Single : A 43 GLN : amide:sc= -0.333 X(o=-0.33,f=-0.74) USER MOD Single : A 50 LYS NZ :NH3+ 165:sc= 1.31 (180deg=1.19) USER MOD Single : A 51 THR OG1 : rot 171:sc= -2.83! USER MOD Single : A 53 LYS NZ :NH3+ 154:sc= 1.88 (180deg=-0.222!) USER MOD Single : A 56 TYR OH : rot -172:sc= 0.991 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 170:sc= -0.42 USER MOD Single : A 76 LYS NZ :NH3+ -172:sc=-0.00835 (180deg=-0.103) USER MOD Single : A 78 MET CE :methyl 157:sc= -4.69! (180deg=-6.59!) USER MOD Single : A 79 GLN : amide:sc= -0.339 K(o=-0.34,f=-3.5!) USER MOD Single : A 81 ASN :FLIP amide:sc= -1.48 F(o=-4.1!,f=-1.5) USER MOD Single : A 85 MET CE :methyl -138:sc= -3.19 (180deg=-7.87!) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0.00154 USER MOD Single : A 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= -1.35 USER MOD Single : A 90 HIS : no HD1:sc= -3.53! C(o=-3.5!,f=-5!) USER MOD Single : A 92 GLN : amide:sc= 1.03 K(o=1,f=-4.9!) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 161:sc= 1.21 (180deg=0.162) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 110 THR OG1 : rot 82:sc= 1.01 USER MOD Single : A 112 GLN :FLIP amide:sc= -2.94! C(o=-5.9!,f=-2.9!) USER MOD Single : A 116 LYS NZ :NH3+ -130:sc= 1.22 (180deg=0.565) USER MOD Single : A 119 GLN :FLIP amide:sc= -0.015 F(o=-1.3!,f=-0.015) USER MOD Single : A 120 GLN : amide:sc= 0.533 K(o=0.53,f=-0.22) USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 122 MET CE :methyl -149:sc= -0.115 (180deg=-0.669) USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -21.159 7.408 -6.121 1.00 13.16 N ATOM 2 CA MET A 1 -20.857 8.855 -6.017 1.00 12.75 C ATOM 3 C MET A 1 -20.081 9.118 -4.726 1.00 11.77 C ATOM 4 O MET A 1 -19.540 8.188 -4.140 1.00 11.66 O ATOM 5 CB MET A 1 -22.163 9.661 -6.055 1.00 13.22 C ATOM 6 CG MET A 1 -21.979 11.121 -6.447 1.00 13.51 C ATOM 7 SD MET A 1 -21.182 11.314 -8.059 1.00 14.33 S ATOM 8 CE MET A 1 -22.406 10.567 -9.139 1.00 14.09 C ATOM 0 H1 MET A 1 -20.816 7.046 -7.034 1.00 13.16 H new ATOM 0 H2 MET A 1 -20.687 6.898 -5.347 1.00 13.16 H new ATOM 0 H3 MET A 1 -22.187 7.262 -6.055 1.00 13.16 H new ATOM 0 HA MET A 1 -20.242 9.169 -6.860 1.00 12.75 H new ATOM 0 HB2 MET A 1 -22.848 9.190 -6.760 1.00 13.22 H new ATOM 0 HB3 MET A 1 -22.634 9.616 -5.073 1.00 13.22 H new ATOM 0 HG2 MET A 1 -22.951 11.614 -6.465 1.00 13.51 H new ATOM 0 HG3 MET A 1 -21.381 11.625 -5.688 1.00 13.51 H new ATOM 0 HE1 MET A 1 -22.194 10.840 -10.173 1.00 14.09 H new ATOM 0 HE2 MET A 1 -22.369 9.483 -9.036 1.00 14.09 H new ATOM 0 HE3 MET A 1 -23.399 10.924 -8.865 1.00 14.09 H new ATOM 20 N SER A 2 -20.017 10.373 -4.297 1.00 11.22 N ATOM 21 CA SER A 2 -19.309 10.740 -3.076 1.00 10.40 C ATOM 22 C SER A 2 -19.898 10.029 -1.858 1.00 9.51 C ATOM 23 O SER A 2 -19.167 9.562 -0.980 1.00 9.43 O ATOM 24 CB SER A 2 -19.384 12.254 -2.897 1.00 10.47 C ATOM 25 OG SER A 2 -20.685 12.726 -3.213 1.00 10.65 O ATOM 0 H SER A 2 -20.451 11.159 -4.781 1.00 11.22 H new ATOM 0 HA SER A 2 -18.268 10.429 -3.163 1.00 10.40 H new ATOM 0 HB2 SER A 2 -19.134 12.518 -1.869 1.00 10.47 H new ATOM 0 HB3 SER A 2 -18.648 12.739 -3.538 1.00 10.47 H new ATOM 0 HG SER A 2 -20.719 13.698 -3.092 1.00 10.65 H new ATOM 31 N TYR A 3 -21.221 9.953 -1.813 1.00 9.03 N ATOM 32 CA TYR A 3 -21.916 9.284 -0.729 1.00 8.37 C ATOM 33 C TYR A 3 -22.312 7.871 -1.146 1.00 7.38 C ATOM 34 O TYR A 3 -23.184 7.686 -1.997 1.00 7.50 O ATOM 35 CB TYR A 3 -23.160 10.088 -0.333 1.00 9.00 C ATOM 36 CG TYR A 3 -24.000 9.451 0.757 1.00 8.73 C ATOM 37 CD1 TYR A 3 -23.620 9.539 2.092 1.00 8.58 C ATOM 38 CD2 TYR A 3 -25.163 8.752 0.454 1.00 8.90 C ATOM 39 CE1 TYR A 3 -24.371 8.953 3.092 1.00 8.64 C ATOM 40 CE2 TYR A 3 -25.919 8.164 1.453 1.00 8.95 C ATOM 41 CZ TYR A 3 -25.569 8.294 2.744 1.00 8.84 C ATOM 42 OH TYR A 3 -26.273 7.687 3.764 1.00 9.19 O ATOM 0 H TYR A 3 -21.836 10.351 -2.523 1.00 9.03 H new ATOM 0 HA TYR A 3 -21.249 9.217 0.130 1.00 8.37 H new ATOM 0 HB2 TYR A 3 -22.847 11.078 -0.001 1.00 9.00 H new ATOM 0 HB3 TYR A 3 -23.782 10.230 -1.217 1.00 9.00 H new ATOM 0 HD1 TYR A 3 -22.720 10.076 2.352 1.00 8.58 H new ATOM 0 HD2 TYR A 3 -25.481 8.667 -0.575 1.00 8.90 H new ATOM 0 HE1 TYR A 3 -24.047 8.998 4.121 1.00 8.64 H new ATOM 0 HE2 TYR A 3 -26.799 7.595 1.192 1.00 8.95 H new ATOM 0 HH TYR A 3 -27.080 7.267 3.400 1.00 9.19 H new ATOM 52 N ILE A 4 -21.643 6.877 -0.576 1.00 6.65 N ATOM 53 CA ILE A 4 -22.003 5.491 -0.812 1.00 5.84 C ATOM 54 C ILE A 4 -22.344 4.809 0.502 1.00 5.70 C ATOM 55 O ILE A 4 -21.572 4.871 1.453 1.00 5.57 O ATOM 56 CB ILE A 4 -20.877 4.716 -1.540 1.00 5.26 C ATOM 57 CG1 ILE A 4 -20.568 5.376 -2.888 1.00 5.59 C ATOM 58 CG2 ILE A 4 -21.280 3.260 -1.752 1.00 5.75 C ATOM 59 CD1 ILE A 4 -19.435 4.713 -3.644 1.00 5.82 C ATOM 0 H ILE A 4 -20.850 7.008 0.052 1.00 6.65 H new ATOM 0 HA ILE A 4 -22.878 5.484 -1.462 1.00 5.84 H new ATOM 0 HB ILE A 4 -19.982 4.742 -0.918 1.00 5.26 H new ATOM 0 HG12 ILE A 4 -21.466 5.357 -3.506 1.00 5.59 H new ATOM 0 HG13 ILE A 4 -20.318 6.424 -2.721 1.00 5.59 H new ATOM 0 HG21 ILE A 4 -20.477 2.731 -2.265 1.00 5.75 H new ATOM 0 HG22 ILE A 4 -21.466 2.790 -0.786 1.00 5.75 H new ATOM 0 HG23 ILE A 4 -22.186 3.218 -2.356 1.00 5.75 H new ATOM 0 HD11 ILE A 4 -19.273 5.234 -4.588 1.00 5.82 H new ATOM 0 HD12 ILE A 4 -18.525 4.755 -3.046 1.00 5.82 H new ATOM 0 HD13 ILE A 4 -19.690 3.672 -3.843 1.00 5.82 H new ATOM 71 N PRO A 5 -23.515 4.161 0.578 1.00 6.16 N ATOM 72 CA PRO A 5 -23.939 3.400 1.764 1.00 6.54 C ATOM 73 C PRO A 5 -23.124 2.116 1.945 1.00 6.19 C ATOM 74 O PRO A 5 -23.652 1.089 2.369 1.00 6.51 O ATOM 75 CB PRO A 5 -25.409 3.057 1.472 1.00 7.37 C ATOM 76 CG PRO A 5 -25.799 3.913 0.314 1.00 7.46 C ATOM 77 CD PRO A 5 -24.541 4.133 -0.472 1.00 6.75 C ATOM 0 HA PRO A 5 -23.797 3.970 2.682 1.00 6.54 H new ATOM 0 HB2 PRO A 5 -25.525 2.000 1.234 1.00 7.37 H new ATOM 0 HB3 PRO A 5 -26.038 3.260 2.339 1.00 7.37 H new ATOM 0 HG2 PRO A 5 -26.560 3.425 -0.295 1.00 7.46 H new ATOM 0 HG3 PRO A 5 -26.220 4.860 0.652 1.00 7.46 H new ATOM 0 HD2 PRO A 5 -24.365 3.332 -1.190 1.00 6.75 H new ATOM 0 HD3 PRO A 5 -24.572 5.066 -1.035 1.00 6.75 H new ATOM 85 N GLY A 6 -21.834 2.193 1.649 1.00 5.88 N ATOM 86 CA GLY A 6 -20.983 1.032 1.726 1.00 5.89 C ATOM 87 C GLY A 6 -19.512 1.374 1.598 1.00 5.07 C ATOM 88 O GLY A 6 -18.697 0.881 2.371 1.00 5.32 O ATOM 0 H GLY A 6 -21.362 3.048 1.355 1.00 5.88 H new ATOM 0 HA2 GLY A 6 -21.152 0.525 2.676 1.00 5.89 H new ATOM 0 HA3 GLY A 6 -21.259 0.332 0.937 1.00 5.89 H new ATOM 92 N GLN A 7 -19.162 2.227 0.632 1.00 4.35 N ATOM 93 CA GLN A 7 -17.749 2.503 0.364 1.00 3.71 C ATOM 94 C GLN A 7 -17.485 3.900 -0.220 1.00 2.97 C ATOM 95 O GLN A 7 -17.108 4.039 -1.384 1.00 3.13 O ATOM 96 CB GLN A 7 -17.205 1.441 -0.576 1.00 4.33 C ATOM 97 CG GLN A 7 -18.098 1.206 -1.780 1.00 5.04 C ATOM 98 CD GLN A 7 -17.484 0.255 -2.787 1.00 5.77 C ATOM 99 OE1 GLN A 7 -16.816 0.671 -3.731 1.00 6.37 O ATOM 100 NE2 GLN A 7 -17.699 -1.035 -2.586 1.00 6.03 N ATOM 0 H GLN A 7 -19.820 2.728 0.035 1.00 4.35 H new ATOM 0 HA GLN A 7 -17.236 2.478 1.326 1.00 3.71 H new ATOM 0 HB2 GLN A 7 -16.214 1.739 -0.918 1.00 4.33 H new ATOM 0 HB3 GLN A 7 -17.086 0.505 -0.030 1.00 4.33 H new ATOM 0 HG2 GLN A 7 -19.055 0.806 -1.445 1.00 5.04 H new ATOM 0 HG3 GLN A 7 -18.304 2.160 -2.266 1.00 5.04 H new ATOM 0 HE21 GLN A 7 -18.259 -1.341 -1.790 1.00 6.03 H new ATOM 0 HE22 GLN A 7 -17.304 -1.724 -3.227 1.00 6.03 H new ATOM 109 N PRO A 8 -17.730 4.956 0.565 1.00 2.60 N ATOM 110 CA PRO A 8 -17.230 6.302 0.262 1.00 2.22 C ATOM 111 C PRO A 8 -15.702 6.379 0.358 1.00 1.55 C ATOM 112 O PRO A 8 -14.996 5.405 0.108 1.00 1.98 O ATOM 113 CB PRO A 8 -17.869 7.184 1.343 1.00 2.90 C ATOM 114 CG PRO A 8 -18.964 6.371 1.937 1.00 3.40 C ATOM 115 CD PRO A 8 -18.578 4.931 1.752 1.00 3.12 C ATOM 0 HA PRO A 8 -17.480 6.607 -0.754 1.00 2.22 H new ATOM 0 HB2 PRO A 8 -17.137 7.466 2.100 1.00 2.90 H new ATOM 0 HB3 PRO A 8 -18.257 8.108 0.914 1.00 2.90 H new ATOM 0 HG2 PRO A 8 -19.091 6.605 2.994 1.00 3.40 H new ATOM 0 HG3 PRO A 8 -19.914 6.584 1.447 1.00 3.40 H new ATOM 0 HD2 PRO A 8 -18.043 4.544 2.619 1.00 3.12 H new ATOM 0 HD3 PRO A 8 -19.452 4.296 1.607 1.00 3.12 H new ATOM 123 N VAL A 9 -15.193 7.544 0.746 1.00 1.36 N ATOM 124 CA VAL A 9 -13.764 7.743 0.909 1.00 1.13 C ATOM 125 C VAL A 9 -13.326 7.185 2.249 1.00 1.01 C ATOM 126 O VAL A 9 -12.133 7.052 2.531 1.00 1.07 O ATOM 127 CB VAL A 9 -13.377 9.235 0.820 1.00 1.61 C ATOM 128 CG1 VAL A 9 -13.651 9.781 -0.572 1.00 2.08 C ATOM 129 CG2 VAL A 9 -14.114 10.046 1.874 1.00 2.26 C ATOM 0 H VAL A 9 -15.757 8.368 0.954 1.00 1.36 H new ATOM 0 HA VAL A 9 -13.259 7.219 0.098 1.00 1.13 H new ATOM 0 HB VAL A 9 -12.308 9.321 1.013 1.00 1.61 H new ATOM 0 HG11 VAL A 9 -13.371 10.834 -0.612 1.00 2.08 H new ATOM 0 HG12 VAL A 9 -13.067 9.222 -1.303 1.00 2.08 H new ATOM 0 HG13 VAL A 9 -14.712 9.679 -0.801 1.00 2.08 H new ATOM 0 HG21 VAL A 9 -13.826 11.094 1.793 1.00 2.26 H new ATOM 0 HG22 VAL A 9 -15.189 9.952 1.720 1.00 2.26 H new ATOM 0 HG23 VAL A 9 -13.856 9.674 2.866 1.00 2.26 H new ATOM 139 N THR A 10 -14.310 6.869 3.080 1.00 1.00 N ATOM 140 CA THR A 10 -14.054 6.197 4.330 1.00 1.07 C ATOM 141 C THR A 10 -13.870 4.714 4.070 1.00 0.92 C ATOM 142 O THR A 10 -14.788 3.907 4.193 1.00 0.99 O ATOM 143 CB THR A 10 -15.205 6.416 5.313 1.00 1.30 C ATOM 144 OG1 THR A 10 -15.529 7.813 5.373 1.00 2.09 O ATOM 145 CG2 THR A 10 -14.851 5.913 6.703 1.00 1.90 C ATOM 0 H THR A 10 -15.294 7.072 2.903 1.00 1.00 H new ATOM 0 HA THR A 10 -13.148 6.610 4.773 1.00 1.07 H new ATOM 0 HB THR A 10 -16.066 5.850 4.958 1.00 1.30 H new ATOM 0 HG1 THR A 10 -16.268 7.951 6.002 1.00 2.09 H new ATOM 0 HG21 THR A 10 -15.691 6.084 7.377 1.00 1.90 H new ATOM 0 HG22 THR A 10 -14.632 4.846 6.659 1.00 1.90 H new ATOM 0 HG23 THR A 10 -13.976 6.448 7.071 1.00 1.90 H new ATOM 153 N ALA A 11 -12.677 4.413 3.643 1.00 0.83 N ATOM 154 CA ALA A 11 -12.242 3.058 3.377 1.00 0.74 C ATOM 155 C ALA A 11 -11.820 2.337 4.655 1.00 0.77 C ATOM 156 O ALA A 11 -11.830 2.911 5.749 1.00 0.96 O ATOM 157 CB ALA A 11 -11.098 3.082 2.384 1.00 0.70 C ATOM 0 H ALA A 11 -11.958 5.114 3.464 1.00 0.83 H new ATOM 0 HA ALA A 11 -13.083 2.506 2.957 1.00 0.74 H new ATOM 0 HB1 ALA A 11 -10.769 2.062 2.183 1.00 0.70 H new ATOM 0 HB2 ALA A 11 -11.432 3.546 1.456 1.00 0.70 H new ATOM 0 HB3 ALA A 11 -10.269 3.655 2.798 1.00 0.70 H new ATOM 163 N VAL A 12 -11.426 1.087 4.493 1.00 0.65 N ATOM 164 CA VAL A 12 -11.068 0.222 5.612 1.00 0.72 C ATOM 165 C VAL A 12 -9.556 0.039 5.684 1.00 0.54 C ATOM 166 O VAL A 12 -8.937 -0.432 4.737 1.00 0.54 O ATOM 167 CB VAL A 12 -11.738 -1.169 5.482 1.00 0.89 C ATOM 168 CG1 VAL A 12 -11.301 -2.096 6.609 1.00 1.57 C ATOM 169 CG2 VAL A 12 -13.256 -1.030 5.446 1.00 1.38 C ATOM 0 H VAL A 12 -11.344 0.638 3.581 1.00 0.65 H new ATOM 0 HA VAL A 12 -11.424 0.704 6.523 1.00 0.72 H new ATOM 0 HB VAL A 12 -11.414 -1.616 4.542 1.00 0.89 H new ATOM 0 HG11 VAL A 12 -11.787 -3.065 6.492 1.00 1.57 H new ATOM 0 HG12 VAL A 12 -10.219 -2.226 6.575 1.00 1.57 H new ATOM 0 HG13 VAL A 12 -11.584 -1.662 7.568 1.00 1.57 H new ATOM 0 HG21 VAL A 12 -13.710 -2.017 5.354 1.00 1.38 H new ATOM 0 HG22 VAL A 12 -13.600 -0.556 6.366 1.00 1.38 H new ATOM 0 HG23 VAL A 12 -13.545 -0.417 4.592 1.00 1.38 H new ATOM 179 N VAL A 13 -8.967 0.409 6.807 1.00 0.52 N ATOM 180 CA VAL A 13 -7.523 0.309 6.983 1.00 0.44 C ATOM 181 C VAL A 13 -7.107 -1.130 7.279 1.00 0.41 C ATOM 182 O VAL A 13 -7.556 -1.729 8.258 1.00 0.50 O ATOM 183 CB VAL A 13 -7.038 1.225 8.121 1.00 0.61 C ATOM 184 CG1 VAL A 13 -5.525 1.217 8.213 1.00 0.90 C ATOM 185 CG2 VAL A 13 -7.550 2.642 7.920 1.00 1.02 C ATOM 0 H VAL A 13 -9.465 0.783 7.615 1.00 0.52 H new ATOM 0 HA VAL A 13 -7.060 0.629 6.050 1.00 0.44 H new ATOM 0 HB VAL A 13 -7.439 0.841 9.059 1.00 0.61 H new ATOM 0 HG11 VAL A 13 -5.206 1.872 9.024 1.00 0.90 H new ATOM 0 HG12 VAL A 13 -5.178 0.202 8.408 1.00 0.90 H new ATOM 0 HG13 VAL A 13 -5.101 1.571 7.273 1.00 0.90 H new ATOM 0 HG21 VAL A 13 -7.197 3.275 8.734 1.00 1.02 H new ATOM 0 HG22 VAL A 13 -7.181 3.031 6.971 1.00 1.02 H new ATOM 0 HG23 VAL A 13 -8.640 2.637 7.910 1.00 1.02 H new ATOM 195 N GLN A 14 -6.256 -1.678 6.421 1.00 0.37 N ATOM 196 CA GLN A 14 -5.797 -3.060 6.567 1.00 0.40 C ATOM 197 C GLN A 14 -4.262 -3.129 6.702 1.00 0.32 C ATOM 198 O GLN A 14 -3.561 -2.147 6.448 1.00 0.41 O ATOM 199 CB GLN A 14 -6.305 -3.895 5.378 1.00 0.51 C ATOM 200 CG GLN A 14 -5.482 -3.765 4.126 1.00 0.53 C ATOM 201 CD GLN A 14 -4.337 -4.747 4.120 1.00 0.64 C ATOM 202 OE1 GLN A 14 -3.199 -4.315 3.644 1.00 1.39 O flip ATOM 203 NE2 GLN A 14 -4.466 -5.871 4.608 1.00 0.55 N flip ATOM 0 H GLN A 14 -5.867 -1.189 5.615 1.00 0.37 H new ATOM 0 HA GLN A 14 -6.208 -3.478 7.486 1.00 0.40 H new ATOM 0 HB2 GLN A 14 -6.332 -4.944 5.673 1.00 0.51 H new ATOM 0 HB3 GLN A 14 -7.331 -3.600 5.155 1.00 0.51 H new ATOM 0 HG2 GLN A 14 -6.113 -3.934 3.254 1.00 0.53 H new ATOM 0 HG3 GLN A 14 -5.094 -2.750 4.047 1.00 0.53 H new ATOM 0 HE21 GLN A 14 -5.372 -6.169 4.969 1.00 0.55 H new ATOM 0 HE22 GLN A 14 -3.667 -6.503 4.651 1.00 0.55 H new ATOM 212 N ARG A 15 -3.749 -4.295 7.095 1.00 0.32 N ATOM 213 CA ARG A 15 -2.328 -4.482 7.352 1.00 0.39 C ATOM 214 C ARG A 15 -1.751 -5.629 6.512 1.00 0.33 C ATOM 215 O ARG A 15 -2.107 -6.793 6.704 1.00 0.55 O ATOM 216 CB ARG A 15 -2.131 -4.779 8.837 1.00 0.70 C ATOM 217 CG ARG A 15 -1.170 -3.835 9.525 1.00 0.75 C ATOM 218 CD ARG A 15 0.258 -4.093 9.093 1.00 1.44 C ATOM 219 NE ARG A 15 1.202 -3.160 9.720 1.00 2.26 N ATOM 220 CZ ARG A 15 2.353 -3.522 10.297 1.00 2.85 C ATOM 221 NH1 ARG A 15 2.709 -4.804 10.336 1.00 2.98 N ATOM 222 NH2 ARG A 15 3.143 -2.603 10.847 1.00 3.63 N ATOM 0 H ARG A 15 -4.310 -5.134 7.243 1.00 0.32 H new ATOM 0 HA ARG A 15 -1.800 -3.570 7.074 1.00 0.39 H new ATOM 0 HB2 ARG A 15 -3.097 -4.729 9.339 1.00 0.70 H new ATOM 0 HB3 ARG A 15 -1.766 -5.800 8.949 1.00 0.70 H new ATOM 0 HG2 ARG A 15 -1.441 -2.805 9.295 1.00 0.75 H new ATOM 0 HG3 ARG A 15 -1.252 -3.952 10.606 1.00 0.75 H new ATOM 0 HD2 ARG A 15 0.535 -5.115 9.350 1.00 1.44 H new ATOM 0 HD3 ARG A 15 0.330 -4.006 8.009 1.00 1.44 H new ATOM 0 HE ARG A 15 0.964 -2.168 9.715 1.00 2.26 H new ATOM 0 HH11 ARG A 15 2.103 -5.514 9.925 1.00 2.98 H new ATOM 0 HH12 ARG A 15 3.588 -5.076 10.777 1.00 2.98 H new ATOM 0 HH21 ARG A 15 2.871 -1.620 10.829 1.00 3.63 H new ATOM 0 HH22 ARG A 15 4.020 -2.882 11.286 1.00 3.63 H new ATOM 236 N VAL A 16 -0.862 -5.296 5.582 1.00 0.25 N ATOM 237 CA VAL A 16 -0.168 -6.295 4.785 1.00 0.30 C ATOM 238 C VAL A 16 1.214 -6.556 5.375 1.00 0.26 C ATOM 239 O VAL A 16 1.951 -5.623 5.687 1.00 0.40 O ATOM 240 CB VAL A 16 -0.045 -5.861 3.291 1.00 0.51 C ATOM 241 CG1 VAL A 16 1.197 -6.434 2.619 1.00 1.02 C ATOM 242 CG2 VAL A 16 -1.273 -6.293 2.512 1.00 0.64 C ATOM 0 H VAL A 16 -0.605 -4.334 5.362 1.00 0.25 H new ATOM 0 HA VAL A 16 -0.755 -7.213 4.811 1.00 0.30 H new ATOM 0 HB VAL A 16 0.040 -4.774 3.288 1.00 0.51 H new ATOM 0 HG11 VAL A 16 1.235 -6.102 1.581 1.00 1.02 H new ATOM 0 HG12 VAL A 16 2.087 -6.088 3.144 1.00 1.02 H new ATOM 0 HG13 VAL A 16 1.158 -7.523 2.650 1.00 1.02 H new ATOM 0 HG21 VAL A 16 -1.172 -5.983 1.472 1.00 0.64 H new ATOM 0 HG22 VAL A 16 -1.371 -7.378 2.559 1.00 0.64 H new ATOM 0 HG23 VAL A 16 -2.160 -5.829 2.944 1.00 0.64 H new ATOM 252 N GLU A 17 1.547 -7.817 5.561 1.00 0.22 N ATOM 253 CA GLU A 17 2.852 -8.182 6.077 1.00 0.25 C ATOM 254 C GLU A 17 3.349 -9.446 5.395 1.00 0.24 C ATOM 255 O GLU A 17 2.725 -10.506 5.499 1.00 0.28 O ATOM 256 CB GLU A 17 2.800 -8.371 7.597 1.00 0.33 C ATOM 257 CG GLU A 17 4.145 -8.712 8.215 1.00 0.44 C ATOM 258 CD GLU A 17 4.128 -8.618 9.723 1.00 0.75 C ATOM 259 OE1 GLU A 17 3.562 -7.638 10.255 1.00 1.35 O ATOM 260 OE2 GLU A 17 4.692 -9.516 10.386 1.00 1.31 O ATOM 0 H GLU A 17 0.933 -8.607 5.363 1.00 0.22 H new ATOM 0 HA GLU A 17 3.550 -7.373 5.862 1.00 0.25 H new ATOM 0 HB2 GLU A 17 2.420 -7.458 8.055 1.00 0.33 H new ATOM 0 HB3 GLU A 17 2.090 -9.164 7.832 1.00 0.33 H new ATOM 0 HG2 GLU A 17 4.432 -9.721 7.920 1.00 0.44 H new ATOM 0 HG3 GLU A 17 4.904 -8.037 7.820 1.00 0.44 H new ATOM 267 N ILE A 18 4.464 -9.335 4.686 1.00 0.24 N ATOM 268 CA ILE A 18 5.021 -10.462 3.985 1.00 0.24 C ATOM 269 C ILE A 18 6.531 -10.424 4.128 1.00 0.27 C ATOM 270 O ILE A 18 7.118 -9.347 4.190 1.00 0.33 O ATOM 271 CB ILE A 18 4.619 -10.462 2.491 1.00 0.24 C ATOM 272 CG1 ILE A 18 4.977 -11.799 1.841 1.00 0.34 C ATOM 273 CG2 ILE A 18 5.282 -9.314 1.743 1.00 0.27 C ATOM 274 CD1 ILE A 18 4.212 -12.971 2.413 1.00 0.61 C ATOM 0 H ILE A 18 4.995 -8.470 4.587 1.00 0.24 H new ATOM 0 HA ILE A 18 4.625 -11.379 4.421 1.00 0.24 H new ATOM 0 HB ILE A 18 3.539 -10.322 2.434 1.00 0.24 H new ATOM 0 HG12 ILE A 18 4.784 -11.737 0.770 1.00 0.34 H new ATOM 0 HG13 ILE A 18 6.045 -11.978 1.962 1.00 0.34 H new ATOM 0 HG21 ILE A 18 4.981 -9.340 0.696 1.00 0.27 H new ATOM 0 HG22 ILE A 18 4.975 -8.366 2.185 1.00 0.27 H new ATOM 0 HG23 ILE A 18 6.365 -9.413 1.811 1.00 0.27 H new ATOM 0 HD11 ILE A 18 4.516 -13.887 1.906 1.00 0.61 H new ATOM 0 HD12 ILE A 18 4.424 -13.059 3.478 1.00 0.61 H new ATOM 0 HD13 ILE A 18 3.143 -12.814 2.268 1.00 0.61 H new ATOM 286 N HIS A 19 7.157 -11.571 4.228 1.00 0.30 N ATOM 287 CA HIS A 19 8.597 -11.606 4.363 1.00 0.33 C ATOM 288 C HIS A 19 9.245 -11.349 3.016 1.00 0.35 C ATOM 289 O HIS A 19 9.101 -12.153 2.095 1.00 0.40 O ATOM 290 CB HIS A 19 9.058 -12.930 4.978 1.00 0.39 C ATOM 291 CG HIS A 19 8.803 -13.009 6.457 1.00 0.44 C ATOM 292 ND1 HIS A 19 9.778 -13.315 7.379 1.00 0.54 N ATOM 293 CD2 HIS A 19 7.674 -12.788 7.172 1.00 0.46 C ATOM 294 CE1 HIS A 19 9.260 -13.280 8.593 1.00 0.60 C ATOM 295 NE2 HIS A 19 7.984 -12.960 8.495 1.00 0.56 N ATOM 0 H HIS A 19 6.701 -12.483 4.219 1.00 0.30 H new ATOM 0 HA HIS A 19 8.911 -10.816 5.045 1.00 0.33 H new ATOM 0 HB2 HIS A 19 8.545 -13.753 4.482 1.00 0.39 H new ATOM 0 HB3 HIS A 19 10.124 -13.060 4.791 1.00 0.39 H new ATOM 0 HD2 HIS A 19 6.706 -12.524 6.772 1.00 0.46 H new ATOM 0 HE1 HIS A 19 9.792 -13.480 9.512 1.00 0.60 H new ATOM 0 HE2 HIS A 19 7.335 -12.858 9.276 1.00 0.56 H new ATOM 304 N LYS A 20 9.885 -10.173 2.929 1.00 0.34 N ATOM 305 CA LYS A 20 10.588 -9.671 1.731 1.00 0.36 C ATOM 306 C LYS A 20 11.039 -10.785 0.775 1.00 0.36 C ATOM 307 O LYS A 20 11.581 -11.808 1.201 1.00 0.42 O ATOM 308 CB LYS A 20 11.805 -8.817 2.167 1.00 0.40 C ATOM 309 CG LYS A 20 12.872 -9.568 2.969 1.00 1.42 C ATOM 310 CD LYS A 20 13.909 -10.230 2.067 1.00 2.33 C ATOM 311 CE LYS A 20 14.902 -11.061 2.863 1.00 3.13 C ATOM 312 NZ LYS A 20 15.747 -10.230 3.754 1.00 4.00 N ATOM 0 H LYS A 20 9.931 -9.522 3.713 1.00 0.34 H new ATOM 0 HA LYS A 20 9.874 -9.063 1.175 1.00 0.36 H new ATOM 0 HB2 LYS A 20 12.271 -8.396 1.276 1.00 0.40 H new ATOM 0 HB3 LYS A 20 11.446 -7.979 2.765 1.00 0.40 H new ATOM 0 HG2 LYS A 20 13.371 -8.874 3.646 1.00 1.42 H new ATOM 0 HG3 LYS A 20 12.393 -10.327 3.587 1.00 1.42 H new ATOM 0 HD2 LYS A 20 13.405 -10.865 1.339 1.00 2.33 H new ATOM 0 HD3 LYS A 20 14.444 -9.464 1.505 1.00 2.33 H new ATOM 0 HE2 LYS A 20 14.361 -11.795 3.460 1.00 3.13 H new ATOM 0 HE3 LYS A 20 15.540 -11.617 2.176 1.00 3.13 H new ATOM 0 HZ1 LYS A 20 16.407 -10.841 4.275 1.00 4.00 H new ATOM 0 HZ2 LYS A 20 16.285 -9.546 3.184 1.00 4.00 H new ATOM 0 HZ3 LYS A 20 15.142 -9.719 4.429 1.00 4.00 H new ATOM 326 N LEU A 21 10.842 -10.576 -0.521 1.00 0.33 N ATOM 327 CA LEU A 21 11.232 -11.583 -1.496 1.00 0.37 C ATOM 328 C LEU A 21 12.601 -11.254 -2.061 1.00 0.41 C ATOM 329 O LEU A 21 12.745 -10.474 -3.001 1.00 0.45 O ATOM 330 CB LEU A 21 10.195 -11.697 -2.613 1.00 0.38 C ATOM 331 CG LEU A 21 10.406 -12.863 -3.586 1.00 0.45 C ATOM 332 CD1 LEU A 21 10.420 -14.192 -2.842 1.00 0.55 C ATOM 333 CD2 LEU A 21 9.326 -12.862 -4.658 1.00 0.48 C ATOM 0 H LEU A 21 10.422 -9.734 -0.915 1.00 0.33 H new ATOM 0 HA LEU A 21 11.283 -12.549 -0.994 1.00 0.37 H new ATOM 0 HB2 LEU A 21 9.208 -11.796 -2.161 1.00 0.38 H new ATOM 0 HB3 LEU A 21 10.193 -10.767 -3.181 1.00 0.38 H new ATOM 0 HG LEU A 21 11.374 -12.734 -4.070 1.00 0.45 H new ATOM 0 HD11 LEU A 21 10.571 -15.005 -3.552 1.00 0.55 H new ATOM 0 HD12 LEU A 21 11.230 -14.192 -2.113 1.00 0.55 H new ATOM 0 HD13 LEU A 21 9.469 -14.331 -2.328 1.00 0.55 H new ATOM 0 HD21 LEU A 21 9.490 -13.696 -5.341 1.00 0.48 H new ATOM 0 HD22 LEU A 21 8.348 -12.964 -4.189 1.00 0.48 H new ATOM 0 HD23 LEU A 21 9.366 -11.925 -5.214 1.00 0.48 H new ATOM 345 N ARG A 22 13.601 -11.829 -1.423 1.00 0.51 N ATOM 346 CA ARG A 22 14.993 -11.640 -1.802 1.00 0.61 C ATOM 347 C ARG A 22 15.276 -12.227 -3.185 1.00 0.60 C ATOM 348 O ARG A 22 14.819 -13.321 -3.515 1.00 0.66 O ATOM 349 CB ARG A 22 15.915 -12.282 -0.756 1.00 0.88 C ATOM 350 CG ARG A 22 15.932 -13.810 -0.766 1.00 1.19 C ATOM 351 CD ARG A 22 14.610 -14.421 -0.321 1.00 1.94 C ATOM 352 NE ARG A 22 14.637 -15.879 -0.399 1.00 2.47 N ATOM 353 CZ ARG A 22 13.711 -16.687 0.124 1.00 3.28 C ATOM 354 NH1 ARG A 22 12.697 -16.194 0.824 1.00 3.78 N ATOM 355 NH2 ARG A 22 13.815 -17.999 -0.045 1.00 3.97 N ATOM 0 H ARG A 22 13.473 -12.446 -0.621 1.00 0.51 H new ATOM 0 HA ARG A 22 15.189 -10.569 -1.845 1.00 0.61 H new ATOM 0 HB2 ARG A 22 16.931 -11.921 -0.917 1.00 0.88 H new ATOM 0 HB3 ARG A 22 15.609 -11.943 0.234 1.00 0.88 H new ATOM 0 HG2 ARG A 22 16.167 -14.159 -1.771 1.00 1.19 H new ATOM 0 HG3 ARG A 22 16.728 -14.164 -0.111 1.00 1.19 H new ATOM 0 HD2 ARG A 22 14.394 -14.115 0.703 1.00 1.94 H new ATOM 0 HD3 ARG A 22 13.803 -14.038 -0.946 1.00 1.94 H new ATOM 0 HE ARG A 22 15.420 -16.312 -0.889 1.00 2.47 H new ATOM 0 HH11 ARG A 22 12.618 -15.187 0.968 1.00 3.78 H new ATOM 0 HH12 ARG A 22 11.996 -16.822 1.218 1.00 3.78 H new ATOM 0 HH21 ARG A 22 14.599 -18.385 -0.572 1.00 3.97 H new ATOM 0 HH22 ARG A 22 13.111 -18.622 0.352 1.00 3.97 H new ATOM 369 N GLN A 23 16.004 -11.477 -3.990 1.00 0.68 N ATOM 370 CA GLN A 23 16.471 -11.958 -5.269 1.00 0.81 C ATOM 371 C GLN A 23 17.907 -11.509 -5.475 1.00 0.93 C ATOM 372 O GLN A 23 18.130 -10.405 -5.955 1.00 1.02 O ATOM 373 CB GLN A 23 15.611 -11.384 -6.389 1.00 0.90 C ATOM 374 CG GLN A 23 15.459 -12.322 -7.559 1.00 1.04 C ATOM 375 CD GLN A 23 14.389 -13.377 -7.329 1.00 0.92 C ATOM 376 OE1 GLN A 23 13.364 -13.028 -6.559 1.00 1.35 O flip ATOM 377 NE2 GLN A 23 14.476 -14.491 -7.845 1.00 0.69 N flip ATOM 0 H GLN A 23 16.286 -10.521 -3.774 1.00 0.68 H new ATOM 0 HA GLN A 23 16.408 -13.046 -5.286 1.00 0.81 H new ATOM 0 HB2 GLN A 23 14.624 -11.143 -5.994 1.00 0.90 H new ATOM 0 HB3 GLN A 23 16.053 -10.450 -6.735 1.00 0.90 H new ATOM 0 HG2 GLN A 23 15.211 -11.747 -8.451 1.00 1.04 H new ATOM 0 HG3 GLN A 23 16.413 -12.813 -7.752 1.00 1.04 H new ATOM 0 HE21 GLN A 23 15.279 -14.721 -8.430 1.00 0.69 H new ATOM 0 HE22 GLN A 23 13.745 -15.185 -7.687 1.00 0.69 H new ATOM 386 N GLY A 24 18.869 -12.350 -5.121 1.00 1.03 N ATOM 387 CA GLY A 24 20.259 -11.957 -5.183 1.00 1.19 C ATOM 388 C GLY A 24 20.544 -10.770 -4.286 1.00 1.23 C ATOM 389 O GLY A 24 20.911 -10.933 -3.120 1.00 1.33 O ATOM 0 H GLY A 24 18.708 -13.302 -4.791 1.00 1.03 H new ATOM 0 HA2 GLY A 24 20.888 -12.796 -4.887 1.00 1.19 H new ATOM 0 HA3 GLY A 24 20.522 -11.708 -6.211 1.00 1.19 H new ATOM 393 N GLU A 25 20.338 -9.574 -4.823 1.00 1.27 N ATOM 394 CA GLU A 25 20.586 -8.347 -4.084 1.00 1.43 C ATOM 395 C GLU A 25 19.405 -7.406 -4.214 1.00 1.40 C ATOM 396 O GLU A 25 19.478 -6.235 -3.844 1.00 1.61 O ATOM 397 CB GLU A 25 21.854 -7.675 -4.588 1.00 1.67 C ATOM 398 CG GLU A 25 23.082 -8.543 -4.427 1.00 1.84 C ATOM 399 CD GLU A 25 24.329 -7.861 -4.939 1.00 2.03 C ATOM 400 OE1 GLU A 25 24.885 -7.008 -4.209 1.00 2.33 O ATOM 401 OE2 GLU A 25 24.752 -8.156 -6.076 1.00 2.21 O ATOM 0 H GLU A 25 19.998 -9.430 -5.774 1.00 1.27 H new ATOM 0 HA GLU A 25 20.718 -8.596 -3.031 1.00 1.43 H new ATOM 0 HB2 GLU A 25 21.731 -7.420 -5.641 1.00 1.67 H new ATOM 0 HB3 GLU A 25 22.003 -6.740 -4.049 1.00 1.67 H new ATOM 0 HG2 GLU A 25 23.213 -8.794 -3.374 1.00 1.84 H new ATOM 0 HG3 GLU A 25 22.936 -9.481 -4.963 1.00 1.84 H new ATOM 408 N ASN A 26 18.308 -7.934 -4.729 1.00 1.21 N ATOM 409 CA ASN A 26 17.101 -7.153 -4.921 1.00 1.23 C ATOM 410 C ASN A 26 16.038 -7.643 -3.962 1.00 1.05 C ATOM 411 O ASN A 26 16.077 -8.793 -3.524 1.00 1.06 O ATOM 412 CB ASN A 26 16.580 -7.297 -6.355 1.00 1.31 C ATOM 413 CG ASN A 26 17.686 -7.259 -7.392 1.00 1.39 C ATOM 414 OD1 ASN A 26 18.059 -6.196 -7.888 1.00 1.87 O ATOM 415 ND2 ASN A 26 18.214 -8.430 -7.727 1.00 1.33 N ATOM 0 H ASN A 26 18.230 -8.908 -5.023 1.00 1.21 H new ATOM 0 HA ASN A 26 17.332 -6.104 -4.735 1.00 1.23 H new ATOM 0 HB2 ASN A 26 16.036 -8.237 -6.446 1.00 1.31 H new ATOM 0 HB3 ASN A 26 15.869 -6.496 -6.560 1.00 1.31 H new ATOM 0 HD21 ASN A 26 18.960 -8.473 -8.421 1.00 1.33 H new ATOM 0 HD22 ASN A 26 17.874 -9.287 -7.290 1.00 1.33 H new ATOM 422 N LEU A 27 15.100 -6.782 -3.627 1.00 0.95 N ATOM 423 CA LEU A 27 13.974 -7.175 -2.815 1.00 0.82 C ATOM 424 C LEU A 27 12.699 -6.923 -3.572 1.00 0.71 C ATOM 425 O LEU A 27 12.424 -5.801 -4.006 1.00 0.81 O ATOM 426 CB LEU A 27 13.946 -6.438 -1.479 1.00 0.93 C ATOM 427 CG LEU A 27 14.618 -7.176 -0.325 1.00 1.28 C ATOM 428 CD1 LEU A 27 16.129 -7.213 -0.495 1.00 2.28 C ATOM 429 CD2 LEU A 27 14.233 -6.542 0.996 1.00 1.62 C ATOM 0 H LEU A 27 15.098 -5.801 -3.907 1.00 0.95 H new ATOM 0 HA LEU A 27 14.073 -8.238 -2.595 1.00 0.82 H new ATOM 0 HB2 LEU A 27 14.431 -5.470 -1.604 1.00 0.93 H new ATOM 0 HB3 LEU A 27 12.908 -6.242 -1.210 1.00 0.93 H new ATOM 0 HG LEU A 27 14.267 -8.208 -0.330 1.00 1.28 H new ATOM 0 HD11 LEU A 27 16.577 -7.746 0.344 1.00 2.28 H new ATOM 0 HD12 LEU A 27 16.378 -7.725 -1.424 1.00 2.28 H new ATOM 0 HD13 LEU A 27 16.517 -6.195 -0.526 1.00 2.28 H new ATOM 0 HD21 LEU A 27 14.719 -7.077 1.812 1.00 1.62 H new ATOM 0 HD22 LEU A 27 14.551 -5.500 1.006 1.00 1.62 H new ATOM 0 HD23 LEU A 27 13.151 -6.592 1.122 1.00 1.62 H new ATOM 441 N ILE A 28 11.939 -7.972 -3.750 1.00 0.57 N ATOM 442 CA ILE A 28 10.714 -7.890 -4.497 1.00 0.52 C ATOM 443 C ILE A 28 9.544 -7.751 -3.537 1.00 0.44 C ATOM 444 O ILE A 28 9.353 -8.578 -2.638 1.00 0.43 O ATOM 445 CB ILE A 28 10.534 -9.124 -5.426 1.00 0.53 C ATOM 446 CG1 ILE A 28 11.388 -8.973 -6.698 1.00 0.75 C ATOM 447 CG2 ILE A 28 9.074 -9.339 -5.800 1.00 0.47 C ATOM 448 CD1 ILE A 28 12.881 -8.912 -6.450 1.00 0.80 C ATOM 0 H ILE A 28 12.151 -8.900 -3.384 1.00 0.57 H new ATOM 0 HA ILE A 28 10.752 -7.010 -5.139 1.00 0.52 H new ATOM 0 HB ILE A 28 10.871 -10.000 -4.872 1.00 0.53 H new ATOM 0 HG12 ILE A 28 11.177 -9.810 -7.363 1.00 0.75 H new ATOM 0 HG13 ILE A 28 11.082 -8.066 -7.220 1.00 0.75 H new ATOM 0 HG21 ILE A 28 8.989 -10.210 -6.450 1.00 0.47 H new ATOM 0 HG22 ILE A 28 8.487 -9.502 -4.896 1.00 0.47 H new ATOM 0 HG23 ILE A 28 8.699 -8.459 -6.322 1.00 0.47 H new ATOM 0 HD11 ILE A 28 13.404 -8.805 -7.401 1.00 0.80 H new ATOM 0 HD12 ILE A 28 13.109 -8.058 -5.813 1.00 0.80 H new ATOM 0 HD13 ILE A 28 13.206 -9.829 -5.958 1.00 0.80 H new ATOM 460 N LEU A 29 8.814 -6.661 -3.707 1.00 0.51 N ATOM 461 CA LEU A 29 7.647 -6.376 -2.886 1.00 0.55 C ATOM 462 C LEU A 29 6.395 -6.971 -3.505 1.00 0.73 C ATOM 463 O LEU A 29 5.456 -7.328 -2.802 1.00 1.74 O ATOM 464 CB LEU A 29 7.455 -4.862 -2.607 1.00 0.71 C ATOM 465 CG LEU A 29 8.070 -3.831 -3.583 1.00 0.74 C ATOM 466 CD1 LEU A 29 9.583 -3.732 -3.416 1.00 1.28 C ATOM 467 CD2 LEU A 29 7.698 -4.113 -5.035 1.00 1.33 C ATOM 0 H LEU A 29 9.011 -5.952 -4.413 1.00 0.51 H new ATOM 0 HA LEU A 29 7.825 -6.849 -1.920 1.00 0.55 H new ATOM 0 HB2 LEU A 29 6.383 -4.670 -2.560 1.00 0.71 H new ATOM 0 HB3 LEU A 29 7.859 -4.657 -1.616 1.00 0.71 H new ATOM 0 HG LEU A 29 7.639 -2.864 -3.323 1.00 0.74 H new ATOM 0 HD11 LEU A 29 9.979 -2.998 -4.118 1.00 1.28 H new ATOM 0 HD12 LEU A 29 9.817 -3.423 -2.397 1.00 1.28 H new ATOM 0 HD13 LEU A 29 10.035 -4.704 -3.613 1.00 1.28 H new ATOM 0 HD21 LEU A 29 8.154 -3.362 -5.680 1.00 1.33 H new ATOM 0 HD22 LEU A 29 8.059 -5.102 -5.318 1.00 1.33 H new ATOM 0 HD23 LEU A 29 6.614 -4.077 -5.146 1.00 1.33 H new ATOM 479 N GLY A 30 6.397 -7.104 -4.816 1.00 0.40 N ATOM 480 CA GLY A 30 5.291 -7.743 -5.482 1.00 0.32 C ATOM 481 C GLY A 30 4.122 -6.816 -5.728 1.00 0.35 C ATOM 482 O GLY A 30 3.007 -7.273 -5.937 1.00 0.69 O ATOM 0 H GLY A 30 7.144 -6.781 -5.431 1.00 0.40 H new ATOM 0 HA2 GLY A 30 5.634 -8.145 -6.436 1.00 0.32 H new ATOM 0 HA3 GLY A 30 4.955 -8.589 -4.882 1.00 0.32 H new ATOM 486 N PHE A 31 4.362 -5.526 -5.653 1.00 0.29 N ATOM 487 CA PHE A 31 3.364 -4.534 -6.035 1.00 0.28 C ATOM 488 C PHE A 31 4.061 -3.296 -6.579 1.00 0.31 C ATOM 489 O PHE A 31 5.242 -3.103 -6.308 1.00 0.42 O ATOM 490 CB PHE A 31 2.498 -4.169 -4.827 1.00 0.28 C ATOM 491 CG PHE A 31 3.280 -3.688 -3.631 1.00 0.32 C ATOM 492 CD1 PHE A 31 3.619 -2.351 -3.499 1.00 0.42 C ATOM 493 CD2 PHE A 31 3.691 -4.574 -2.650 1.00 0.33 C ATOM 494 CE1 PHE A 31 4.351 -1.909 -2.415 1.00 0.50 C ATOM 495 CE2 PHE A 31 4.418 -4.138 -1.563 1.00 0.42 C ATOM 496 CZ PHE A 31 4.687 -2.798 -1.408 1.00 0.51 C ATOM 0 H PHE A 31 5.245 -5.130 -5.329 1.00 0.29 H new ATOM 0 HA PHE A 31 2.720 -4.949 -6.810 1.00 0.28 H new ATOM 0 HB2 PHE A 31 1.791 -3.393 -5.121 1.00 0.28 H new ATOM 0 HB3 PHE A 31 1.912 -5.041 -4.537 1.00 0.28 H new ATOM 0 HD1 PHE A 31 3.306 -1.645 -4.254 1.00 0.42 H new ATOM 0 HD2 PHE A 31 3.439 -5.620 -2.737 1.00 0.33 H new ATOM 0 HE1 PHE A 31 4.660 -0.876 -2.353 1.00 0.50 H new ATOM 0 HE2 PHE A 31 4.776 -4.849 -0.833 1.00 0.42 H new ATOM 0 HZ PHE A 31 5.158 -2.441 -0.504 1.00 0.51 H new ATOM 506 N SER A 32 3.378 -2.454 -7.346 1.00 0.25 N ATOM 507 CA SER A 32 4.014 -1.237 -7.768 1.00 0.23 C ATOM 508 C SER A 32 3.482 -0.116 -6.913 1.00 0.23 C ATOM 509 O SER A 32 2.451 -0.272 -6.280 1.00 0.29 O ATOM 510 CB SER A 32 3.779 -0.991 -9.242 1.00 0.25 C ATOM 511 OG SER A 32 4.950 -0.547 -9.905 1.00 0.53 O ATOM 0 H SER A 32 2.421 -2.592 -7.672 1.00 0.25 H new ATOM 0 HA SER A 32 5.094 -1.304 -7.639 1.00 0.23 H new ATOM 0 HB2 SER A 32 3.425 -1.910 -9.710 1.00 0.25 H new ATOM 0 HB3 SER A 32 2.991 -0.248 -9.363 1.00 0.25 H new ATOM 0 HG SER A 32 4.703 -0.105 -10.744 1.00 0.53 H new ATOM 517 N ILE A 33 4.168 0.998 -6.871 1.00 0.23 N ATOM 518 CA ILE A 33 3.859 1.992 -5.866 1.00 0.25 C ATOM 519 C ILE A 33 4.183 3.407 -6.322 1.00 0.25 C ATOM 520 O ILE A 33 5.238 3.654 -6.906 1.00 0.32 O ATOM 521 CB ILE A 33 4.660 1.707 -4.568 1.00 0.36 C ATOM 522 CG1 ILE A 33 4.574 2.889 -3.589 1.00 0.33 C ATOM 523 CG2 ILE A 33 6.111 1.397 -4.902 1.00 0.49 C ATOM 524 CD1 ILE A 33 5.633 2.867 -2.501 1.00 0.37 C ATOM 0 H ILE A 33 4.929 1.240 -7.505 1.00 0.23 H new ATOM 0 HA ILE A 33 2.786 1.924 -5.686 1.00 0.25 H new ATOM 0 HB ILE A 33 4.217 0.838 -4.081 1.00 0.36 H new ATOM 0 HG12 ILE A 33 4.663 3.819 -4.150 1.00 0.33 H new ATOM 0 HG13 ILE A 33 3.589 2.891 -3.123 1.00 0.33 H new ATOM 0 HG21 ILE A 33 6.662 1.199 -3.982 1.00 0.49 H new ATOM 0 HG22 ILE A 33 6.156 0.520 -5.548 1.00 0.49 H new ATOM 0 HG23 ILE A 33 6.556 2.249 -5.415 1.00 0.49 H new ATOM 0 HD11 ILE A 33 5.505 3.733 -1.851 1.00 0.37 H new ATOM 0 HD12 ILE A 33 5.532 1.955 -1.913 1.00 0.37 H new ATOM 0 HD13 ILE A 33 6.623 2.898 -2.956 1.00 0.37 H new ATOM 536 N GLY A 34 3.268 4.321 -6.053 1.00 0.26 N ATOM 537 CA GLY A 34 3.633 5.707 -5.954 1.00 0.43 C ATOM 538 C GLY A 34 2.765 6.400 -4.943 1.00 0.30 C ATOM 539 O GLY A 34 1.551 6.413 -5.057 1.00 0.72 O ATOM 0 H GLY A 34 2.279 4.124 -5.902 1.00 0.26 H new ATOM 0 HA2 GLY A 34 4.681 5.795 -5.666 1.00 0.43 H new ATOM 0 HA3 GLY A 34 3.528 6.189 -6.926 1.00 0.43 H new ATOM 543 N GLY A 35 3.390 6.885 -3.907 1.00 0.77 N ATOM 544 CA GLY A 35 2.715 7.695 -2.918 1.00 0.93 C ATOM 545 C GLY A 35 3.596 8.799 -2.448 1.00 0.73 C ATOM 546 O GLY A 35 4.663 8.512 -1.935 1.00 1.42 O ATOM 0 H GLY A 35 4.381 6.733 -3.720 1.00 0.77 H new ATOM 0 HA2 GLY A 35 1.801 8.109 -3.343 1.00 0.93 H new ATOM 0 HA3 GLY A 35 2.420 7.074 -2.072 1.00 0.93 H new ATOM 550 N GLY A 36 3.236 10.033 -2.632 1.00 0.40 N ATOM 551 CA GLY A 36 4.114 11.055 -2.131 1.00 0.39 C ATOM 552 C GLY A 36 3.491 12.429 -2.101 1.00 0.35 C ATOM 553 O GLY A 36 2.834 12.839 -3.054 1.00 0.48 O ATOM 0 H GLY A 36 2.387 10.350 -3.100 1.00 0.40 H new ATOM 0 HA2 GLY A 36 4.431 10.787 -1.123 1.00 0.39 H new ATOM 0 HA3 GLY A 36 5.011 11.086 -2.749 1.00 0.39 H new ATOM 557 N ILE A 37 3.693 13.143 -1.012 1.00 0.37 N ATOM 558 CA ILE A 37 3.741 14.595 -1.076 1.00 0.41 C ATOM 559 C ILE A 37 4.841 14.974 -2.052 1.00 0.38 C ATOM 560 O ILE A 37 4.830 16.036 -2.669 1.00 0.46 O ATOM 561 CB ILE A 37 4.069 15.201 0.292 1.00 0.43 C ATOM 562 CG1 ILE A 37 4.850 14.185 1.107 1.00 0.47 C ATOM 563 CG2 ILE A 37 2.804 15.618 1.019 1.00 0.52 C ATOM 564 CD1 ILE A 37 5.647 14.800 2.235 1.00 0.49 C ATOM 0 H ILE A 37 3.826 12.750 -0.080 1.00 0.37 H new ATOM 0 HA ILE A 37 2.769 14.974 -1.392 1.00 0.41 H new ATOM 0 HB ILE A 37 4.674 16.097 0.153 1.00 0.43 H new ATOM 0 HG12 ILE A 37 4.157 13.452 1.520 1.00 0.47 H new ATOM 0 HG13 ILE A 37 5.528 13.645 0.446 1.00 0.47 H new ATOM 0 HG21 ILE A 37 3.065 16.045 1.987 1.00 0.52 H new ATOM 0 HG22 ILE A 37 2.272 16.362 0.426 1.00 0.52 H new ATOM 0 HG23 ILE A 37 2.165 14.747 1.167 1.00 0.52 H new ATOM 0 HD11 ILE A 37 6.179 14.016 2.774 1.00 0.49 H new ATOM 0 HD12 ILE A 37 6.365 15.512 1.827 1.00 0.49 H new ATOM 0 HD13 ILE A 37 4.972 15.316 2.918 1.00 0.49 H new ATOM 576 N ASP A 38 5.797 14.056 -2.154 1.00 0.35 N ATOM 577 CA ASP A 38 6.846 14.105 -3.151 1.00 0.40 C ATOM 578 C ASP A 38 6.247 14.136 -4.553 1.00 0.56 C ATOM 579 O ASP A 38 6.728 14.844 -5.435 1.00 0.69 O ATOM 580 CB ASP A 38 7.738 12.873 -3.032 1.00 0.39 C ATOM 581 CG ASP A 38 8.427 12.492 -4.327 1.00 0.42 C ATOM 582 OD1 ASP A 38 9.498 13.067 -4.609 1.00 0.68 O ATOM 583 OD2 ASP A 38 7.895 11.642 -5.065 1.00 0.72 O ATOM 0 H ASP A 38 5.860 13.248 -1.535 1.00 0.35 H new ATOM 0 HA ASP A 38 7.432 15.009 -2.983 1.00 0.40 H new ATOM 0 HB2 ASP A 38 8.494 13.055 -2.268 1.00 0.39 H new ATOM 0 HB3 ASP A 38 7.136 12.031 -2.690 1.00 0.39 H new ATOM 588 N GLN A 39 5.188 13.347 -4.737 1.00 0.63 N ATOM 589 CA GLN A 39 4.601 13.153 -6.063 1.00 0.85 C ATOM 590 C GLN A 39 4.064 14.473 -6.615 1.00 0.93 C ATOM 591 O GLN A 39 4.526 14.946 -7.655 1.00 1.19 O ATOM 592 CB GLN A 39 3.497 12.087 -6.012 1.00 0.98 C ATOM 593 CG GLN A 39 4.002 10.692 -5.673 1.00 1.00 C ATOM 594 CD GLN A 39 4.873 10.095 -6.761 1.00 0.60 C ATOM 595 OE1 GLN A 39 4.380 9.417 -7.660 1.00 0.78 O ATOM 596 NE2 GLN A 39 6.171 10.338 -6.687 1.00 0.82 N ATOM 0 H GLN A 39 4.721 12.834 -3.989 1.00 0.63 H new ATOM 0 HA GLN A 39 5.381 12.801 -6.737 1.00 0.85 H new ATOM 0 HB2 GLN A 39 2.753 12.383 -5.272 1.00 0.98 H new ATOM 0 HB3 GLN A 39 2.991 12.055 -6.977 1.00 0.98 H new ATOM 0 HG2 GLN A 39 4.569 10.733 -4.743 1.00 1.00 H new ATOM 0 HG3 GLN A 39 3.149 10.036 -5.497 1.00 1.00 H new ATOM 0 HE21 GLN A 39 6.541 10.906 -5.925 1.00 0.82 H new ATOM 0 HE22 GLN A 39 6.802 9.958 -7.392 1.00 0.82 H new ATOM 605 N ASP A 40 3.097 15.055 -5.913 1.00 1.05 N ATOM 606 CA ASP A 40 2.597 16.395 -6.238 1.00 1.20 C ATOM 607 C ASP A 40 1.512 16.803 -5.251 1.00 1.52 C ATOM 608 O ASP A 40 0.434 16.206 -5.220 1.00 1.82 O ATOM 609 CB ASP A 40 2.034 16.471 -7.659 1.00 1.55 C ATOM 610 CG ASP A 40 1.852 17.902 -8.116 1.00 1.97 C ATOM 611 OD1 ASP A 40 0.885 18.551 -7.676 1.00 2.32 O ATOM 612 OD2 ASP A 40 2.676 18.389 -8.915 1.00 2.57 O ATOM 0 H ASP A 40 2.640 14.621 -5.111 1.00 1.05 H new ATOM 0 HA ASP A 40 3.444 17.078 -6.171 1.00 1.20 H new ATOM 0 HB2 ASP A 40 2.705 15.953 -8.344 1.00 1.55 H new ATOM 0 HB3 ASP A 40 1.076 15.952 -7.699 1.00 1.55 H new ATOM 617 N PRO A 41 1.782 17.817 -4.425 1.00 1.71 N ATOM 618 CA PRO A 41 0.838 18.283 -3.413 1.00 2.21 C ATOM 619 C PRO A 41 -0.290 19.134 -3.993 1.00 2.39 C ATOM 620 O PRO A 41 -1.335 19.302 -3.363 1.00 2.82 O ATOM 621 CB PRO A 41 1.714 19.122 -2.483 1.00 2.49 C ATOM 622 CG PRO A 41 2.812 19.633 -3.351 1.00 2.20 C ATOM 623 CD PRO A 41 3.043 18.583 -4.407 1.00 1.69 C ATOM 0 HA PRO A 41 0.330 17.452 -2.923 1.00 2.21 H new ATOM 0 HB2 PRO A 41 1.148 19.941 -2.038 1.00 2.49 H new ATOM 0 HB3 PRO A 41 2.106 18.522 -1.661 1.00 2.49 H new ATOM 0 HG2 PRO A 41 2.538 20.586 -3.804 1.00 2.20 H new ATOM 0 HG3 PRO A 41 3.718 19.806 -2.770 1.00 2.20 H new ATOM 0 HD2 PRO A 41 3.252 19.032 -5.378 1.00 1.69 H new ATOM 0 HD3 PRO A 41 3.893 17.948 -4.160 1.00 1.69 H new ATOM 631 N SER A 42 -0.099 19.612 -5.214 1.00 2.18 N ATOM 632 CA SER A 42 -0.986 20.604 -5.805 1.00 2.37 C ATOM 633 C SER A 42 -2.077 19.939 -6.651 1.00 2.72 C ATOM 634 O SER A 42 -2.809 20.609 -7.379 1.00 3.26 O ATOM 635 CB SER A 42 -0.146 21.560 -6.660 1.00 2.18 C ATOM 636 OG SER A 42 -0.887 22.691 -7.085 1.00 2.34 O ATOM 0 H SER A 42 0.670 19.326 -5.820 1.00 2.18 H new ATOM 0 HA SER A 42 -1.488 21.158 -5.012 1.00 2.37 H new ATOM 0 HB2 SER A 42 0.721 21.890 -6.087 1.00 2.18 H new ATOM 0 HB3 SER A 42 0.232 21.027 -7.532 1.00 2.18 H new ATOM 0 HG SER A 42 -1.825 22.437 -7.216 1.00 2.34 H new ATOM 642 N GLN A 43 -2.191 18.622 -6.549 1.00 2.58 N ATOM 643 CA GLN A 43 -3.139 17.879 -7.372 1.00 3.01 C ATOM 644 C GLN A 43 -4.527 17.771 -6.735 1.00 3.16 C ATOM 645 O GLN A 43 -5.508 17.523 -7.441 1.00 3.55 O ATOM 646 CB GLN A 43 -2.605 16.474 -7.650 1.00 3.10 C ATOM 647 CG GLN A 43 -1.390 16.453 -8.560 1.00 3.27 C ATOM 648 CD GLN A 43 -1.681 17.035 -9.929 1.00 3.19 C ATOM 649 OE1 GLN A 43 -2.801 16.948 -10.428 1.00 3.88 O ATOM 650 NE2 GLN A 43 -0.679 17.642 -10.540 1.00 2.74 N ATOM 0 H GLN A 43 -1.643 18.047 -5.909 1.00 2.58 H new ATOM 0 HA GLN A 43 -3.247 18.438 -8.301 1.00 3.01 H new ATOM 0 HB2 GLN A 43 -2.348 15.999 -6.703 1.00 3.10 H new ATOM 0 HB3 GLN A 43 -3.397 15.876 -8.102 1.00 3.10 H new ATOM 0 HG2 GLN A 43 -0.581 17.016 -8.094 1.00 3.27 H new ATOM 0 HG3 GLN A 43 -1.041 15.426 -8.672 1.00 3.27 H new ATOM 0 HE21 GLN A 43 0.236 17.693 -10.092 1.00 2.74 H new ATOM 0 HE22 GLN A 43 -0.820 18.060 -11.460 1.00 2.74 H new ATOM 659 N ASN A 44 -4.625 17.984 -5.424 1.00 3.05 N ATOM 660 CA ASN A 44 -5.835 17.641 -4.695 1.00 3.30 C ATOM 661 C ASN A 44 -5.698 18.122 -3.255 1.00 3.09 C ATOM 662 O ASN A 44 -5.613 17.327 -2.318 1.00 3.14 O ATOM 663 CB ASN A 44 -6.047 16.121 -4.764 1.00 3.86 C ATOM 664 CG ASN A 44 -7.309 15.635 -4.076 1.00 4.45 C ATOM 665 OD1 ASN A 44 -7.338 14.516 -3.576 1.00 4.63 O ATOM 666 ND2 ASN A 44 -8.354 16.444 -4.059 1.00 5.14 N ATOM 0 H ASN A 44 -3.884 18.390 -4.852 1.00 3.05 H new ATOM 0 HA ASN A 44 -6.705 18.127 -5.137 1.00 3.30 H new ATOM 0 HB2 ASN A 44 -6.078 15.817 -5.810 1.00 3.86 H new ATOM 0 HB3 ASN A 44 -5.187 15.625 -4.313 1.00 3.86 H new ATOM 0 HD21 ASN A 44 -9.224 16.144 -3.619 1.00 5.14 H new ATOM 0 HD22 ASN A 44 -8.291 17.368 -4.486 1.00 5.14 H new ATOM 673 N PRO A 45 -5.634 19.449 -3.069 1.00 3.14 N ATOM 674 CA PRO A 45 -5.367 20.069 -1.780 1.00 3.25 C ATOM 675 C PRO A 45 -6.637 20.284 -0.961 1.00 3.09 C ATOM 676 O PRO A 45 -6.640 21.023 0.026 1.00 3.46 O ATOM 677 CB PRO A 45 -4.723 21.411 -2.166 1.00 3.62 C ATOM 678 CG PRO A 45 -4.818 21.516 -3.658 1.00 3.71 C ATOM 679 CD PRO A 45 -5.807 20.475 -4.099 1.00 3.49 C ATOM 0 HA PRO A 45 -4.736 19.448 -1.145 1.00 3.25 H new ATOM 0 HB2 PRO A 45 -5.240 22.242 -1.685 1.00 3.62 H new ATOM 0 HB3 PRO A 45 -3.684 21.450 -1.840 1.00 3.62 H new ATOM 0 HG2 PRO A 45 -5.145 22.512 -3.956 1.00 3.71 H new ATOM 0 HG3 PRO A 45 -3.846 21.348 -4.121 1.00 3.71 H new ATOM 0 HD2 PRO A 45 -6.826 20.862 -4.124 1.00 3.49 H new ATOM 0 HD3 PRO A 45 -5.585 20.096 -5.096 1.00 3.49 H new ATOM 687 N PHE A 46 -7.713 19.629 -1.373 1.00 2.85 N ATOM 688 CA PHE A 46 -8.975 19.700 -0.664 1.00 2.97 C ATOM 689 C PHE A 46 -9.283 18.364 -0.040 1.00 2.64 C ATOM 690 O PHE A 46 -10.359 18.156 0.512 1.00 2.98 O ATOM 691 CB PHE A 46 -10.104 20.065 -1.615 1.00 3.62 C ATOM 692 CG PHE A 46 -10.040 21.484 -2.121 1.00 4.08 C ATOM 693 CD1 PHE A 46 -10.611 22.525 -1.405 1.00 4.79 C ATOM 694 CD2 PHE A 46 -9.407 21.771 -3.320 1.00 4.19 C ATOM 695 CE1 PHE A 46 -10.551 23.824 -1.876 1.00 5.53 C ATOM 696 CE2 PHE A 46 -9.342 23.066 -3.795 1.00 4.97 C ATOM 697 CZ PHE A 46 -9.933 24.108 -3.036 1.00 5.62 C ATOM 0 H PHE A 46 -7.733 19.038 -2.204 1.00 2.85 H new ATOM 0 HA PHE A 46 -8.891 20.466 0.107 1.00 2.97 H new ATOM 0 HB2 PHE A 46 -10.084 19.385 -2.466 1.00 3.62 H new ATOM 0 HB3 PHE A 46 -11.057 19.913 -1.108 1.00 3.62 H new ATOM 0 HD1 PHE A 46 -11.108 22.319 -0.469 1.00 4.79 H new ATOM 0 HD2 PHE A 46 -8.959 20.971 -3.891 1.00 4.19 H new ATOM 0 HE1 PHE A 46 -11.006 24.620 -1.305 1.00 5.53 H new ATOM 0 HE2 PHE A 46 -8.848 23.282 -4.731 1.00 4.97 H new ATOM 0 HZ PHE A 46 -9.887 25.128 -3.389 1.00 5.62 H new ATOM 707 N SER A 47 -8.340 17.448 -0.147 1.00 2.52 N ATOM 708 CA SER A 47 -8.550 16.119 0.318 1.00 2.56 C ATOM 709 C SER A 47 -7.473 15.724 1.280 1.00 3.05 C ATOM 710 O SER A 47 -6.299 15.950 1.033 1.00 3.73 O ATOM 711 CB SER A 47 -8.587 15.162 -0.842 1.00 3.07 C ATOM 712 OG SER A 47 -9.705 15.426 -1.672 1.00 3.77 O ATOM 0 H SER A 47 -7.421 17.616 -0.556 1.00 2.52 H new ATOM 0 HA SER A 47 -9.508 16.081 0.836 1.00 2.56 H new ATOM 0 HB2 SER A 47 -7.668 15.250 -1.422 1.00 3.07 H new ATOM 0 HB3 SER A 47 -8.635 14.137 -0.473 1.00 3.07 H new ATOM 0 HG SER A 47 -9.804 14.704 -2.327 1.00 3.77 H new ATOM 718 N GLU A 48 -7.913 15.220 2.399 1.00 3.23 N ATOM 719 CA GLU A 48 -7.050 14.706 3.435 1.00 4.12 C ATOM 720 C GLU A 48 -7.202 13.212 3.522 1.00 4.20 C ATOM 721 O GLU A 48 -6.241 12.457 3.629 1.00 5.09 O ATOM 722 CB GLU A 48 -7.550 15.251 4.728 1.00 4.52 C ATOM 723 CG GLU A 48 -6.630 15.046 5.914 1.00 5.60 C ATOM 724 CD GLU A 48 -7.224 15.625 7.176 1.00 6.36 C ATOM 725 OE1 GLU A 48 -8.236 15.081 7.665 1.00 6.76 O ATOM 726 OE2 GLU A 48 -6.669 16.614 7.701 1.00 6.78 O ATOM 0 H GLU A 48 -8.905 15.152 2.625 1.00 3.23 H new ATOM 0 HA GLU A 48 -6.015 14.977 3.227 1.00 4.12 H new ATOM 0 HB2 GLU A 48 -7.729 16.319 4.608 1.00 4.52 H new ATOM 0 HB3 GLU A 48 -8.512 14.789 4.951 1.00 4.52 H new ATOM 0 HG2 GLU A 48 -6.444 13.981 6.053 1.00 5.60 H new ATOM 0 HG3 GLU A 48 -5.666 15.515 5.715 1.00 5.60 H new ATOM 733 N ASP A 49 -8.466 12.843 3.403 1.00 3.44 N ATOM 734 CA ASP A 49 -9.025 11.613 3.947 1.00 3.59 C ATOM 735 C ASP A 49 -8.064 10.437 3.819 1.00 2.68 C ATOM 736 O ASP A 49 -7.308 10.139 4.739 1.00 2.54 O ATOM 737 CB ASP A 49 -10.355 11.321 3.251 1.00 4.14 C ATOM 738 CG ASP A 49 -11.274 12.528 3.208 1.00 4.88 C ATOM 739 OD1 ASP A 49 -10.898 13.549 2.587 1.00 5.47 O ATOM 740 OD2 ASP A 49 -12.384 12.457 3.773 1.00 5.10 O ATOM 0 H ASP A 49 -9.156 13.409 2.909 1.00 3.44 H new ATOM 0 HA ASP A 49 -9.194 11.751 5.015 1.00 3.59 H new ATOM 0 HB2 ASP A 49 -10.161 10.982 2.234 1.00 4.14 H new ATOM 0 HB3 ASP A 49 -10.859 10.505 3.768 1.00 4.14 H new ATOM 745 N LYS A 50 -8.123 9.759 2.693 1.00 2.41 N ATOM 746 CA LYS A 50 -7.072 8.851 2.281 1.00 1.76 C ATOM 747 C LYS A 50 -6.564 9.370 0.973 1.00 1.67 C ATOM 748 O LYS A 50 -5.774 8.738 0.270 1.00 2.01 O ATOM 749 CB LYS A 50 -7.602 7.439 2.077 1.00 1.83 C ATOM 750 CG LYS A 50 -8.100 6.775 3.353 1.00 1.31 C ATOM 751 CD LYS A 50 -7.200 7.107 4.537 1.00 1.63 C ATOM 752 CE LYS A 50 -7.719 6.504 5.836 1.00 2.28 C ATOM 753 NZ LYS A 50 -6.786 6.729 6.974 1.00 3.07 N ATOM 0 H LYS A 50 -8.901 9.821 2.036 1.00 2.41 H new ATOM 0 HA LYS A 50 -6.297 8.803 3.046 1.00 1.76 H new ATOM 0 HB2 LYS A 50 -8.416 7.469 1.353 1.00 1.83 H new ATOM 0 HB3 LYS A 50 -6.813 6.825 1.644 1.00 1.83 H new ATOM 0 HG2 LYS A 50 -9.118 7.104 3.563 1.00 1.31 H new ATOM 0 HG3 LYS A 50 -8.137 5.695 3.213 1.00 1.31 H new ATOM 0 HD2 LYS A 50 -6.194 6.737 4.342 1.00 1.63 H new ATOM 0 HD3 LYS A 50 -7.126 8.189 4.644 1.00 1.63 H new ATOM 0 HE2 LYS A 50 -8.690 6.938 6.073 1.00 2.28 H new ATOM 0 HE3 LYS A 50 -7.873 5.433 5.701 1.00 2.28 H new ATOM 0 HZ1 LYS A 50 -7.278 6.536 7.870 1.00 3.07 H new ATOM 0 HZ2 LYS A 50 -5.969 6.092 6.884 1.00 3.07 H new ATOM 0 HZ3 LYS A 50 -6.459 7.716 6.965 1.00 3.07 H new ATOM 767 N THR A 51 -7.064 10.539 0.660 1.00 2.06 N ATOM 768 CA THR A 51 -6.961 11.080 -0.651 1.00 2.68 C ATOM 769 C THR A 51 -6.004 12.264 -0.699 1.00 2.31 C ATOM 770 O THR A 51 -5.641 12.722 -1.784 1.00 2.92 O ATOM 771 CB THR A 51 -8.359 11.466 -1.139 1.00 3.69 C ATOM 772 OG1 THR A 51 -9.030 12.230 -0.128 1.00 4.56 O ATOM 773 CG2 THR A 51 -9.179 10.228 -1.461 1.00 3.71 C ATOM 0 H THR A 51 -7.556 11.139 1.322 1.00 2.06 H new ATOM 0 HA THR A 51 -6.544 10.324 -1.317 1.00 2.68 H new ATOM 0 HB THR A 51 -8.254 12.062 -2.045 1.00 3.69 H new ATOM 0 HG1 THR A 51 -9.861 12.598 -0.494 1.00 4.56 H new ATOM 0 HG21 THR A 51 -10.169 10.527 -1.806 1.00 3.71 H new ATOM 0 HG22 THR A 51 -8.680 9.654 -2.242 1.00 3.71 H new ATOM 0 HG23 THR A 51 -9.277 9.613 -0.566 1.00 3.71 H new ATOM 781 N ASP A 52 -5.599 12.773 0.472 1.00 1.72 N ATOM 782 CA ASP A 52 -4.468 13.701 0.533 1.00 1.38 C ATOM 783 C ASP A 52 -3.194 13.058 -0.021 1.00 1.45 C ATOM 784 O ASP A 52 -3.224 11.948 -0.543 1.00 2.13 O ATOM 785 CB ASP A 52 -4.239 14.135 1.968 1.00 1.44 C ATOM 786 CG ASP A 52 -3.427 15.421 2.086 1.00 2.02 C ATOM 787 OD1 ASP A 52 -3.085 16.016 1.031 1.00 2.34 O ATOM 788 OD2 ASP A 52 -3.121 15.833 3.220 1.00 2.60 O ATOM 0 H ASP A 52 -6.029 12.562 1.372 1.00 1.72 H new ATOM 0 HA ASP A 52 -4.707 14.569 -0.081 1.00 1.38 H new ATOM 0 HB2 ASP A 52 -5.203 14.276 2.456 1.00 1.44 H new ATOM 0 HB3 ASP A 52 -3.724 13.338 2.504 1.00 1.44 H new ATOM 793 N LYS A 53 -2.074 13.763 0.111 1.00 1.32 N ATOM 794 CA LYS A 53 -0.814 13.349 -0.493 1.00 1.78 C ATOM 795 C LYS A 53 -0.185 12.211 0.290 1.00 1.57 C ATOM 796 O LYS A 53 0.881 12.363 0.895 1.00 2.37 O ATOM 797 CB LYS A 53 0.157 14.523 -0.556 1.00 2.30 C ATOM 798 CG LYS A 53 -0.437 15.806 -1.113 1.00 2.22 C ATOM 799 CD LYS A 53 -1.023 15.614 -2.502 1.00 2.32 C ATOM 800 CE LYS A 53 -2.524 15.350 -2.450 1.00 2.67 C ATOM 801 NZ LYS A 53 -3.229 16.325 -1.568 1.00 3.48 N ATOM 0 H LYS A 53 -2.015 14.634 0.638 1.00 1.32 H new ATOM 0 HA LYS A 53 -1.026 13.003 -1.505 1.00 1.78 H new ATOM 0 HB2 LYS A 53 0.535 14.719 0.447 1.00 2.30 H new ATOM 0 HB3 LYS A 53 1.012 14.238 -1.169 1.00 2.30 H new ATOM 0 HG2 LYS A 53 -1.215 16.166 -0.439 1.00 2.22 H new ATOM 0 HG3 LYS A 53 0.334 16.575 -1.150 1.00 2.22 H new ATOM 0 HD2 LYS A 53 -0.830 16.502 -3.104 1.00 2.32 H new ATOM 0 HD3 LYS A 53 -0.524 14.780 -2.995 1.00 2.32 H new ATOM 0 HE2 LYS A 53 -2.938 15.406 -3.457 1.00 2.67 H new ATOM 0 HE3 LYS A 53 -2.702 14.338 -2.088 1.00 2.67 H new ATOM 0 HZ1 LYS A 53 -4.218 16.419 -1.875 1.00 3.48 H new ATOM 0 HZ2 LYS A 53 -3.202 15.986 -0.585 1.00 3.48 H new ATOM 0 HZ3 LYS A 53 -2.759 17.251 -1.628 1.00 3.48 H new ATOM 815 N GLY A 54 -0.850 11.077 0.265 1.00 0.78 N ATOM 816 CA GLY A 54 -0.384 9.927 0.990 1.00 0.65 C ATOM 817 C GLY A 54 0.439 9.018 0.099 1.00 0.53 C ATOM 818 O GLY A 54 0.954 9.460 -0.941 1.00 0.57 O ATOM 0 H GLY A 54 -1.717 10.932 -0.252 1.00 0.78 H new ATOM 0 HA2 GLY A 54 0.217 10.248 1.841 1.00 0.65 H new ATOM 0 HA3 GLY A 54 -1.235 9.376 1.390 1.00 0.65 H new ATOM 822 N ILE A 55 0.590 7.753 0.481 1.00 0.48 N ATOM 823 CA ILE A 55 1.289 6.819 -0.377 1.00 0.40 C ATOM 824 C ILE A 55 0.285 5.821 -0.936 1.00 0.33 C ATOM 825 O ILE A 55 -0.698 5.539 -0.280 1.00 0.43 O ATOM 826 CB ILE A 55 2.469 6.135 0.366 1.00 0.46 C ATOM 827 CG1 ILE A 55 3.704 7.050 0.344 1.00 0.51 C ATOM 828 CG2 ILE A 55 2.818 4.800 -0.271 1.00 0.45 C ATOM 829 CD1 ILE A 55 3.574 8.365 1.094 1.00 0.54 C ATOM 0 H ILE A 55 0.245 7.364 1.358 1.00 0.48 H new ATOM 0 HA ILE A 55 1.743 7.354 -1.211 1.00 0.40 H new ATOM 0 HB ILE A 55 2.160 5.957 1.396 1.00 0.46 H new ATOM 0 HG12 ILE A 55 4.547 6.499 0.761 1.00 0.51 H new ATOM 0 HG13 ILE A 55 3.950 7.270 -0.695 1.00 0.51 H new ATOM 0 HG21 ILE A 55 3.647 4.344 0.270 1.00 0.45 H new ATOM 0 HG22 ILE A 55 1.952 4.140 -0.230 1.00 0.45 H new ATOM 0 HG23 ILE A 55 3.106 4.957 -1.311 1.00 0.45 H new ATOM 0 HD11 ILE A 55 4.505 8.926 1.009 1.00 0.54 H new ATOM 0 HD12 ILE A 55 2.759 8.949 0.667 1.00 0.54 H new ATOM 0 HD13 ILE A 55 3.365 8.165 2.145 1.00 0.54 H new ATOM 841 N TYR A 56 0.459 5.343 -2.170 1.00 0.25 N ATOM 842 CA TYR A 56 -0.525 4.452 -2.750 1.00 0.23 C ATOM 843 C TYR A 56 0.154 3.359 -3.522 1.00 0.18 C ATOM 844 O TYR A 56 1.232 3.551 -4.091 1.00 0.28 O ATOM 845 CB TYR A 56 -1.470 5.185 -3.701 1.00 0.36 C ATOM 846 CG TYR A 56 -1.629 6.640 -3.394 1.00 0.32 C ATOM 847 CD1 TYR A 56 -0.765 7.578 -3.915 1.00 0.67 C ATOM 848 CD2 TYR A 56 -2.660 7.063 -2.587 1.00 0.83 C ATOM 849 CE1 TYR A 56 -0.927 8.921 -3.627 1.00 0.90 C ATOM 850 CE2 TYR A 56 -2.838 8.395 -2.291 1.00 1.14 C ATOM 851 CZ TYR A 56 -1.880 9.338 -2.840 1.00 1.01 C ATOM 852 OH TYR A 56 -2.137 10.651 -2.519 1.00 1.42 O ATOM 0 H TYR A 56 1.256 5.557 -2.769 1.00 0.25 H new ATOM 0 HA TYR A 56 -1.102 4.040 -1.922 1.00 0.23 H new ATOM 0 HB2 TYR A 56 -1.100 5.077 -4.720 1.00 0.36 H new ATOM 0 HB3 TYR A 56 -2.449 4.707 -3.665 1.00 0.36 H new ATOM 0 HD1 TYR A 56 0.046 7.262 -4.554 1.00 0.67 H new ATOM 0 HD2 TYR A 56 -3.344 6.334 -2.177 1.00 0.83 H new ATOM 0 HE1 TYR A 56 -0.250 9.640 -4.063 1.00 0.90 H new ATOM 0 HE2 TYR A 56 -3.660 8.727 -1.673 1.00 1.14 H new ATOM 0 HH TYR A 56 -2.819 10.688 -1.816 1.00 1.42 H new ATOM 862 N VAL A 57 -0.466 2.209 -3.518 1.00 0.18 N ATOM 863 CA VAL A 57 0.025 1.114 -4.292 1.00 0.17 C ATOM 864 C VAL A 57 -0.667 1.085 -5.633 1.00 0.16 C ATOM 865 O VAL A 57 -1.879 1.300 -5.723 1.00 0.22 O ATOM 866 CB VAL A 57 -0.148 -0.234 -3.564 1.00 0.22 C ATOM 867 CG1 VAL A 57 -1.593 -0.648 -3.458 1.00 0.51 C ATOM 868 CG2 VAL A 57 0.657 -1.323 -4.234 1.00 0.58 C ATOM 0 H VAL A 57 -1.313 2.012 -2.985 1.00 0.18 H new ATOM 0 HA VAL A 57 1.095 1.262 -4.439 1.00 0.17 H new ATOM 0 HB VAL A 57 0.228 -0.089 -2.551 1.00 0.22 H new ATOM 0 HG11 VAL A 57 -1.661 -1.603 -2.937 1.00 0.51 H new ATOM 0 HG12 VAL A 57 -2.148 0.108 -2.903 1.00 0.51 H new ATOM 0 HG13 VAL A 57 -2.017 -0.749 -4.457 1.00 0.51 H new ATOM 0 HG21 VAL A 57 0.515 -2.262 -3.699 1.00 0.58 H new ATOM 0 HG22 VAL A 57 0.324 -1.439 -5.265 1.00 0.58 H new ATOM 0 HG23 VAL A 57 1.713 -1.054 -4.222 1.00 0.58 H new ATOM 878 N THR A 58 0.130 0.874 -6.661 1.00 0.17 N ATOM 879 CA THR A 58 -0.359 0.741 -8.008 1.00 0.24 C ATOM 880 C THR A 58 0.200 -0.533 -8.619 1.00 0.38 C ATOM 881 O THR A 58 1.138 -0.494 -9.389 1.00 1.11 O ATOM 882 CB THR A 58 0.014 1.951 -8.884 1.00 0.39 C ATOM 883 OG1 THR A 58 -0.344 3.165 -8.210 1.00 0.83 O ATOM 884 CG2 THR A 58 -0.702 1.884 -10.226 1.00 0.69 C ATOM 0 H THR A 58 1.143 0.790 -6.579 1.00 0.17 H new ATOM 0 HA THR A 58 -1.447 0.695 -7.968 1.00 0.24 H new ATOM 0 HB THR A 58 1.090 1.932 -9.060 1.00 0.39 H new ATOM 0 HG1 THR A 58 -0.104 3.933 -8.769 1.00 0.83 H new ATOM 0 HG21 THR A 58 -0.425 2.748 -10.830 1.00 0.69 H new ATOM 0 HG22 THR A 58 -0.415 0.970 -10.746 1.00 0.69 H new ATOM 0 HG23 THR A 58 -1.780 1.885 -10.064 1.00 0.69 H new ATOM 892 N ARG A 59 -0.272 -1.645 -8.083 1.00 0.31 N ATOM 893 CA ARG A 59 -0.176 -2.986 -8.676 1.00 0.26 C ATOM 894 C ARG A 59 -0.121 -4.036 -7.595 1.00 0.26 C ATOM 895 O ARG A 59 -0.254 -3.727 -6.407 1.00 0.27 O ATOM 896 CB ARG A 59 1.026 -3.192 -9.601 1.00 0.26 C ATOM 897 CG ARG A 59 0.720 -2.852 -11.040 1.00 0.34 C ATOM 898 CD ARG A 59 1.771 -3.410 -11.991 1.00 0.45 C ATOM 899 NE ARG A 59 3.090 -2.812 -11.772 1.00 1.06 N ATOM 900 CZ ARG A 59 4.245 -3.393 -12.121 1.00 1.50 C ATOM 901 NH1 ARG A 59 4.246 -4.590 -12.694 1.00 1.52 N ATOM 902 NH2 ARG A 59 5.397 -2.772 -11.880 1.00 2.27 N ATOM 0 H ARG A 59 -0.755 -1.648 -7.184 1.00 0.31 H new ATOM 0 HA ARG A 59 -1.073 -3.083 -9.288 1.00 0.26 H new ATOM 0 HB2 ARG A 59 1.855 -2.575 -9.255 1.00 0.26 H new ATOM 0 HB3 ARG A 59 1.353 -4.230 -9.539 1.00 0.26 H new ATOM 0 HG2 ARG A 59 -0.259 -3.250 -11.307 1.00 0.34 H new ATOM 0 HG3 ARG A 59 0.666 -1.769 -11.154 1.00 0.34 H new ATOM 0 HD2 ARG A 59 1.838 -4.490 -11.862 1.00 0.45 H new ATOM 0 HD3 ARG A 59 1.459 -3.231 -13.020 1.00 0.45 H new ATOM 0 HE ARG A 59 3.131 -1.896 -11.326 1.00 1.06 H new ATOM 0 HH11 ARG A 59 3.364 -5.072 -12.870 1.00 1.52 H new ATOM 0 HH12 ARG A 59 5.128 -5.028 -12.958 1.00 1.52 H new ATOM 0 HH21 ARG A 59 5.398 -1.856 -11.431 1.00 2.27 H new ATOM 0 HH22 ARG A 59 6.279 -3.212 -12.145 1.00 2.27 H new ATOM 916 N VAL A 60 -0.032 -5.277 -8.066 1.00 0.26 N ATOM 917 CA VAL A 60 0.373 -6.447 -7.289 1.00 0.27 C ATOM 918 C VAL A 60 0.734 -7.550 -8.274 1.00 0.36 C ATOM 919 O VAL A 60 0.015 -7.773 -9.248 1.00 0.51 O ATOM 920 CB VAL A 60 -0.692 -7.045 -6.333 1.00 0.33 C ATOM 921 CG1 VAL A 60 -0.053 -8.161 -5.536 1.00 0.83 C ATOM 922 CG2 VAL A 60 -1.296 -6.036 -5.379 1.00 0.75 C ATOM 0 H VAL A 60 -0.248 -5.505 -9.036 1.00 0.26 H new ATOM 0 HA VAL A 60 1.190 -6.099 -6.657 1.00 0.27 H new ATOM 0 HB VAL A 60 -1.510 -7.407 -6.956 1.00 0.33 H new ATOM 0 HG11 VAL A 60 -0.790 -8.592 -4.858 1.00 0.83 H new ATOM 0 HG12 VAL A 60 0.310 -8.932 -6.216 1.00 0.83 H new ATOM 0 HG13 VAL A 60 0.782 -7.764 -4.959 1.00 0.83 H new ATOM 0 HG21 VAL A 60 -2.031 -6.530 -4.744 1.00 0.75 H new ATOM 0 HG22 VAL A 60 -0.510 -5.607 -4.758 1.00 0.75 H new ATOM 0 HG23 VAL A 60 -1.782 -5.243 -5.948 1.00 0.75 H new ATOM 932 N SER A 61 1.843 -8.216 -8.035 1.00 0.45 N ATOM 933 CA SER A 61 2.242 -9.349 -8.846 1.00 0.56 C ATOM 934 C SER A 61 1.455 -10.582 -8.478 1.00 0.56 C ATOM 935 O SER A 61 0.771 -10.630 -7.456 1.00 0.64 O ATOM 936 CB SER A 61 3.716 -9.650 -8.674 1.00 0.72 C ATOM 937 OG SER A 61 4.054 -9.727 -7.302 1.00 1.65 O ATOM 0 H SER A 61 2.490 -7.991 -7.279 1.00 0.45 H new ATOM 0 HA SER A 61 2.042 -9.084 -9.884 1.00 0.56 H new ATOM 0 HB2 SER A 61 3.960 -10.591 -9.167 1.00 0.72 H new ATOM 0 HB3 SER A 61 4.310 -8.874 -9.157 1.00 0.72 H new ATOM 0 HG SER A 61 4.964 -10.078 -7.209 1.00 1.65 H new ATOM 943 N GLU A 62 1.596 -11.586 -9.299 1.00 0.68 N ATOM 944 CA GLU A 62 0.899 -12.817 -9.104 1.00 0.73 C ATOM 945 C GLU A 62 1.837 -13.866 -8.543 1.00 0.74 C ATOM 946 O GLU A 62 2.952 -14.058 -9.031 1.00 0.84 O ATOM 947 CB GLU A 62 0.316 -13.242 -10.433 1.00 0.86 C ATOM 948 CG GLU A 62 1.316 -13.888 -11.371 1.00 1.45 C ATOM 949 CD GLU A 62 0.793 -14.023 -12.783 1.00 1.62 C ATOM 950 OE1 GLU A 62 -0.156 -14.800 -13.001 1.00 1.75 O ATOM 951 OE2 GLU A 62 1.332 -13.349 -13.681 1.00 1.85 O ATOM 0 H GLU A 62 2.199 -11.569 -10.121 1.00 0.68 H new ATOM 0 HA GLU A 62 0.092 -12.692 -8.382 1.00 0.73 H new ATOM 0 HB2 GLU A 62 -0.500 -13.941 -10.252 1.00 0.86 H new ATOM 0 HB3 GLU A 62 -0.115 -12.369 -10.924 1.00 0.86 H new ATOM 0 HG2 GLU A 62 2.231 -13.296 -11.383 1.00 1.45 H new ATOM 0 HG3 GLU A 62 1.579 -14.875 -10.990 1.00 1.45 H new ATOM 958 N GLY A 63 1.411 -14.481 -7.466 1.00 0.76 N ATOM 959 CA GLY A 63 2.147 -15.587 -6.910 1.00 0.86 C ATOM 960 C GLY A 63 3.375 -15.163 -6.115 1.00 0.80 C ATOM 961 O GLY A 63 4.044 -16.006 -5.518 1.00 0.92 O ATOM 0 H GLY A 63 0.561 -14.234 -6.959 1.00 0.76 H new ATOM 0 HA2 GLY A 63 1.486 -16.164 -6.262 1.00 0.86 H new ATOM 0 HA3 GLY A 63 2.458 -16.249 -7.718 1.00 0.86 H new ATOM 965 N GLY A 64 3.689 -13.865 -6.116 1.00 0.67 N ATOM 966 CA GLY A 64 4.832 -13.384 -5.353 1.00 0.66 C ATOM 967 C GLY A 64 4.550 -13.308 -3.876 1.00 0.63 C ATOM 968 O GLY A 64 4.135 -14.285 -3.266 1.00 0.99 O ATOM 0 H GLY A 64 3.177 -13.145 -6.627 1.00 0.67 H new ATOM 0 HA2 GLY A 64 5.682 -14.044 -5.524 1.00 0.66 H new ATOM 0 HA3 GLY A 64 5.117 -12.397 -5.716 1.00 0.66 H new ATOM 972 N PRO A 65 4.832 -12.165 -3.259 1.00 0.37 N ATOM 973 CA PRO A 65 4.568 -11.950 -1.855 1.00 0.27 C ATOM 974 C PRO A 65 3.337 -11.106 -1.538 1.00 0.23 C ATOM 975 O PRO A 65 2.502 -11.496 -0.724 1.00 0.29 O ATOM 976 CB PRO A 65 5.828 -11.226 -1.430 1.00 0.32 C ATOM 977 CG PRO A 65 6.332 -10.501 -2.648 1.00 0.43 C ATOM 978 CD PRO A 65 5.557 -11.031 -3.836 1.00 0.44 C ATOM 0 HA PRO A 65 4.347 -12.886 -1.342 1.00 0.27 H new ATOM 0 HB2 PRO A 65 5.620 -10.527 -0.620 1.00 0.32 H new ATOM 0 HB3 PRO A 65 6.574 -11.929 -1.060 1.00 0.32 H new ATOM 0 HG2 PRO A 65 6.188 -9.426 -2.543 1.00 0.43 H new ATOM 0 HG3 PRO A 65 7.401 -10.668 -2.780 1.00 0.43 H new ATOM 0 HD2 PRO A 65 4.879 -10.282 -4.246 1.00 0.44 H new ATOM 0 HD3 PRO A 65 6.217 -11.341 -4.646 1.00 0.44 H new ATOM 986 N ALA A 66 3.243 -9.960 -2.171 1.00 0.22 N ATOM 987 CA ALA A 66 2.230 -8.971 -1.864 1.00 0.24 C ATOM 988 C ALA A 66 0.804 -9.502 -1.983 1.00 0.29 C ATOM 989 O ALA A 66 -0.082 -9.080 -1.243 1.00 0.36 O ATOM 990 CB ALA A 66 2.430 -7.804 -2.783 1.00 0.27 C ATOM 0 H ALA A 66 3.874 -9.683 -2.923 1.00 0.22 H new ATOM 0 HA ALA A 66 2.347 -8.680 -0.820 1.00 0.24 H new ATOM 0 HB1 ALA A 66 1.679 -7.043 -2.573 1.00 0.27 H new ATOM 0 HB2 ALA A 66 3.424 -7.385 -2.628 1.00 0.27 H new ATOM 0 HB3 ALA A 66 2.332 -8.134 -3.817 1.00 0.27 H new ATOM 996 N GLU A 67 0.581 -10.428 -2.900 1.00 0.30 N ATOM 997 CA GLU A 67 -0.749 -10.979 -3.099 1.00 0.42 C ATOM 998 C GLU A 67 -1.078 -11.930 -1.959 1.00 0.39 C ATOM 999 O GLU A 67 -2.232 -12.097 -1.573 1.00 0.45 O ATOM 1000 CB GLU A 67 -0.829 -11.693 -4.448 1.00 0.53 C ATOM 1001 CG GLU A 67 -2.186 -12.304 -4.734 1.00 0.77 C ATOM 1002 CD GLU A 67 -2.329 -12.757 -6.168 1.00 1.08 C ATOM 1003 OE1 GLU A 67 -1.628 -13.705 -6.575 1.00 1.54 O ATOM 1004 OE2 GLU A 67 -3.169 -12.173 -6.887 1.00 1.79 O ATOM 0 H GLU A 67 1.298 -10.812 -3.515 1.00 0.30 H new ATOM 0 HA GLU A 67 -1.481 -10.171 -3.104 1.00 0.42 H new ATOM 0 HB2 GLU A 67 -0.585 -10.984 -5.239 1.00 0.53 H new ATOM 0 HB3 GLU A 67 -0.073 -12.478 -4.479 1.00 0.53 H new ATOM 0 HG2 GLU A 67 -2.344 -13.154 -4.071 1.00 0.77 H new ATOM 0 HG3 GLU A 67 -2.964 -11.574 -4.508 1.00 0.77 H new ATOM 1011 N ILE A 68 -0.034 -12.522 -1.411 1.00 0.31 N ATOM 1012 CA ILE A 68 -0.168 -13.481 -0.329 1.00 0.31 C ATOM 1013 C ILE A 68 -0.502 -12.751 0.963 1.00 0.28 C ATOM 1014 O ILE A 68 -1.264 -13.245 1.794 1.00 0.34 O ATOM 1015 CB ILE A 68 1.126 -14.318 -0.162 1.00 0.30 C ATOM 1016 CG1 ILE A 68 1.301 -15.291 -1.338 1.00 0.39 C ATOM 1017 CG2 ILE A 68 1.127 -15.084 1.156 1.00 0.32 C ATOM 1018 CD1 ILE A 68 1.336 -14.632 -2.699 1.00 0.51 C ATOM 0 H ILE A 68 0.929 -12.353 -1.702 1.00 0.31 H new ATOM 0 HA ILE A 68 -0.978 -14.169 -0.572 1.00 0.31 H new ATOM 0 HB ILE A 68 1.966 -13.623 -0.152 1.00 0.30 H new ATOM 0 HG12 ILE A 68 2.226 -15.850 -1.196 1.00 0.39 H new ATOM 0 HG13 ILE A 68 0.485 -16.014 -1.319 1.00 0.39 H new ATOM 0 HG21 ILE A 68 2.048 -15.660 1.241 1.00 0.32 H new ATOM 0 HG22 ILE A 68 1.061 -14.380 1.986 1.00 0.32 H new ATOM 0 HG23 ILE A 68 0.272 -15.760 1.185 1.00 0.32 H new ATOM 0 HD11 ILE A 68 1.462 -15.393 -3.469 1.00 0.51 H new ATOM 0 HD12 ILE A 68 0.402 -14.096 -2.868 1.00 0.51 H new ATOM 0 HD13 ILE A 68 2.169 -13.931 -2.742 1.00 0.51 H new ATOM 1030 N ALA A 69 0.061 -11.558 1.109 1.00 0.23 N ATOM 1031 CA ALA A 69 -0.252 -10.704 2.242 1.00 0.24 C ATOM 1032 C ALA A 69 -1.598 -10.021 2.035 1.00 0.31 C ATOM 1033 O ALA A 69 -2.241 -9.596 2.997 1.00 0.41 O ATOM 1034 CB ALA A 69 0.838 -9.670 2.452 1.00 0.24 C ATOM 0 H ALA A 69 0.737 -11.162 0.455 1.00 0.23 H new ATOM 0 HA ALA A 69 -0.310 -11.327 3.135 1.00 0.24 H new ATOM 0 HB1 ALA A 69 0.584 -9.041 3.305 1.00 0.24 H new ATOM 0 HB2 ALA A 69 1.786 -10.174 2.642 1.00 0.24 H new ATOM 0 HB3 ALA A 69 0.929 -9.051 1.559 1.00 0.24 H new ATOM 1040 N GLY A 70 -2.013 -9.905 0.778 1.00 0.32 N ATOM 1041 CA GLY A 70 -3.324 -9.360 0.484 1.00 0.41 C ATOM 1042 C GLY A 70 -3.308 -7.905 0.046 1.00 0.36 C ATOM 1043 O GLY A 70 -3.981 -7.069 0.648 1.00 0.45 O ATOM 0 H GLY A 70 -1.467 -10.178 -0.039 1.00 0.32 H new ATOM 0 HA2 GLY A 70 -3.787 -9.959 -0.300 1.00 0.41 H new ATOM 0 HA3 GLY A 70 -3.952 -9.455 1.370 1.00 0.41 H new ATOM 1047 N LEU A 71 -2.555 -7.593 -0.999 1.00 0.33 N ATOM 1048 CA LEU A 71 -2.567 -6.248 -1.556 1.00 0.30 C ATOM 1049 C LEU A 71 -3.437 -6.189 -2.799 1.00 0.24 C ATOM 1050 O LEU A 71 -3.683 -7.214 -3.442 1.00 0.33 O ATOM 1051 CB LEU A 71 -1.162 -5.773 -1.857 1.00 0.38 C ATOM 1052 CG LEU A 71 -0.652 -4.747 -0.860 1.00 0.49 C ATOM 1053 CD1 LEU A 71 0.852 -4.600 -0.973 1.00 0.89 C ATOM 1054 CD2 LEU A 71 -1.337 -3.402 -1.070 1.00 0.87 C ATOM 0 H LEU A 71 -1.933 -8.247 -1.475 1.00 0.33 H new ATOM 0 HA LEU A 71 -2.994 -5.577 -0.810 1.00 0.30 H new ATOM 0 HB2 LEU A 71 -0.489 -6.630 -1.863 1.00 0.38 H new ATOM 0 HB3 LEU A 71 -1.138 -5.341 -2.858 1.00 0.38 H new ATOM 0 HG LEU A 71 -0.891 -5.098 0.144 1.00 0.49 H new ATOM 0 HD11 LEU A 71 1.201 -3.861 -0.252 1.00 0.89 H new ATOM 0 HD12 LEU A 71 1.328 -5.559 -0.769 1.00 0.89 H new ATOM 0 HD13 LEU A 71 1.111 -4.274 -1.980 1.00 0.89 H new ATOM 0 HD21 LEU A 71 -0.956 -2.683 -0.345 1.00 0.87 H new ATOM 0 HD22 LEU A 71 -1.133 -3.043 -2.079 1.00 0.87 H new ATOM 0 HD23 LEU A 71 -2.413 -3.517 -0.937 1.00 0.87 H new ATOM 1066 N GLN A 72 -3.892 -4.989 -3.148 1.00 0.24 N ATOM 1067 CA GLN A 72 -4.971 -4.865 -4.112 1.00 0.33 C ATOM 1068 C GLN A 72 -4.708 -3.879 -5.246 1.00 0.25 C ATOM 1069 O GLN A 72 -5.663 -3.374 -5.834 1.00 0.35 O ATOM 1070 CB GLN A 72 -6.217 -4.459 -3.369 1.00 0.60 C ATOM 1071 CG GLN A 72 -6.522 -5.390 -2.227 1.00 1.02 C ATOM 1072 CD GLN A 72 -7.404 -4.733 -1.213 1.00 0.79 C ATOM 1073 OE1 GLN A 72 -8.633 -4.826 -1.261 1.00 1.21 O ATOM 1074 NE2 GLN A 72 -6.777 -4.029 -0.306 1.00 0.64 N ATOM 0 H GLN A 72 -3.536 -4.106 -2.783 1.00 0.24 H new ATOM 0 HA GLN A 72 -5.074 -5.836 -4.596 1.00 0.33 H new ATOM 0 HB2 GLN A 72 -6.097 -3.445 -2.988 1.00 0.60 H new ATOM 0 HB3 GLN A 72 -7.061 -4.443 -4.059 1.00 0.60 H new ATOM 0 HG2 GLN A 72 -7.008 -6.289 -2.607 1.00 1.02 H new ATOM 0 HG3 GLN A 72 -5.592 -5.706 -1.754 1.00 1.02 H new ATOM 0 HE21 GLN A 72 -5.758 -3.984 -0.310 1.00 0.64 H new ATOM 0 HE22 GLN A 72 -7.307 -3.525 0.405 1.00 0.64 H new ATOM 1083 N ILE A 73 -3.438 -3.616 -5.585 1.00 0.24 N ATOM 1084 CA ILE A 73 -3.130 -2.886 -6.803 1.00 0.26 C ATOM 1085 C ILE A 73 -3.460 -1.378 -6.731 1.00 0.23 C ATOM 1086 O ILE A 73 -2.975 -0.609 -7.563 1.00 0.31 O ATOM 1087 CB ILE A 73 -3.866 -3.576 -7.988 1.00 0.36 C ATOM 1088 CG1 ILE A 73 -3.305 -4.994 -8.185 1.00 0.56 C ATOM 1089 CG2 ILE A 73 -3.764 -2.771 -9.264 1.00 0.68 C ATOM 1090 CD1 ILE A 73 -4.034 -5.827 -9.216 1.00 0.77 C ATOM 0 H ILE A 73 -2.625 -3.897 -5.037 1.00 0.24 H new ATOM 0 HA ILE A 73 -2.051 -2.922 -6.951 1.00 0.26 H new ATOM 0 HB ILE A 73 -4.926 -3.639 -7.742 1.00 0.36 H new ATOM 0 HG12 ILE A 73 -2.257 -4.918 -8.475 1.00 0.56 H new ATOM 0 HG13 ILE A 73 -3.334 -5.517 -7.229 1.00 0.56 H new ATOM 0 HG21 ILE A 73 -4.292 -3.290 -10.065 1.00 0.68 H new ATOM 0 HG22 ILE A 73 -4.211 -1.789 -9.111 1.00 0.68 H new ATOM 0 HG23 ILE A 73 -2.715 -2.653 -9.537 1.00 0.68 H new ATOM 0 HD11 ILE A 73 -3.568 -6.810 -9.286 1.00 0.77 H new ATOM 0 HD12 ILE A 73 -5.077 -5.940 -8.921 1.00 0.77 H new ATOM 0 HD13 ILE A 73 -3.983 -5.332 -10.186 1.00 0.77 H new ATOM 1102 N GLY A 74 -4.171 -0.936 -5.692 1.00 0.22 N ATOM 1103 CA GLY A 74 -4.753 0.403 -5.710 1.00 0.25 C ATOM 1104 C GLY A 74 -5.210 0.840 -4.336 1.00 0.29 C ATOM 1105 O GLY A 74 -6.382 1.133 -4.112 1.00 0.37 O ATOM 0 H GLY A 74 -4.354 -1.474 -4.845 1.00 0.22 H new ATOM 0 HA2 GLY A 74 -4.018 1.113 -6.091 1.00 0.25 H new ATOM 0 HA3 GLY A 74 -5.599 0.421 -6.397 1.00 0.25 H new ATOM 1109 N ASP A 75 -4.263 0.900 -3.427 1.00 0.28 N ATOM 1110 CA ASP A 75 -4.552 1.098 -2.009 1.00 0.34 C ATOM 1111 C ASP A 75 -3.839 2.328 -1.493 1.00 0.30 C ATOM 1112 O ASP A 75 -2.824 2.736 -2.049 1.00 0.35 O ATOM 1113 CB ASP A 75 -4.170 -0.116 -1.163 1.00 0.44 C ATOM 1114 CG ASP A 75 -5.041 -1.327 -1.411 1.00 0.66 C ATOM 1115 OD1 ASP A 75 -6.242 -1.287 -1.055 1.00 0.85 O ATOM 1116 OD2 ASP A 75 -4.513 -2.333 -1.933 1.00 0.89 O ATOM 0 H ASP A 75 -3.269 0.814 -3.641 1.00 0.28 H new ATOM 0 HA ASP A 75 -5.630 1.235 -1.920 1.00 0.34 H new ATOM 0 HB2 ASP A 75 -3.132 -0.378 -1.367 1.00 0.44 H new ATOM 0 HB3 ASP A 75 -4.229 0.154 -0.109 1.00 0.44 H new ATOM 1121 N LYS A 76 -4.357 2.907 -0.424 1.00 0.30 N ATOM 1122 CA LYS A 76 -3.811 4.143 0.110 1.00 0.28 C ATOM 1123 C LYS A 76 -3.006 3.843 1.368 1.00 0.28 C ATOM 1124 O LYS A 76 -3.557 3.636 2.442 1.00 0.36 O ATOM 1125 CB LYS A 76 -4.921 5.164 0.403 1.00 0.34 C ATOM 1126 CG LYS A 76 -5.617 5.707 -0.844 1.00 0.74 C ATOM 1127 CD LYS A 76 -6.565 4.694 -1.474 1.00 1.17 C ATOM 1128 CE LYS A 76 -7.146 5.201 -2.786 1.00 1.55 C ATOM 1129 NZ LYS A 76 -7.908 6.463 -2.610 1.00 2.20 N ATOM 0 H LYS A 76 -5.157 2.540 0.092 1.00 0.30 H new ATOM 0 HA LYS A 76 -3.154 4.585 -0.639 1.00 0.28 H new ATOM 0 HB2 LYS A 76 -5.666 4.699 1.048 1.00 0.34 H new ATOM 0 HB3 LYS A 76 -4.494 5.998 0.960 1.00 0.34 H new ATOM 0 HG2 LYS A 76 -6.174 6.606 -0.582 1.00 0.74 H new ATOM 0 HG3 LYS A 76 -4.865 6.000 -1.577 1.00 0.74 H new ATOM 0 HD2 LYS A 76 -6.033 3.759 -1.650 1.00 1.17 H new ATOM 0 HD3 LYS A 76 -7.375 4.474 -0.779 1.00 1.17 H new ATOM 0 HE2 LYS A 76 -6.339 5.362 -3.501 1.00 1.55 H new ATOM 0 HE3 LYS A 76 -7.800 4.439 -3.210 1.00 1.55 H new ATOM 0 HZ1 LYS A 76 -8.397 6.700 -3.497 1.00 2.20 H new ATOM 0 HZ2 LYS A 76 -8.607 6.343 -1.850 1.00 2.20 H new ATOM 0 HZ3 LYS A 76 -7.254 7.232 -2.360 1.00 2.20 H new ATOM 1143 N ILE A 77 -1.706 3.829 1.215 1.00 0.28 N ATOM 1144 CA ILE A 77 -0.797 3.395 2.253 1.00 0.27 C ATOM 1145 C ILE A 77 -0.653 4.426 3.363 1.00 0.25 C ATOM 1146 O ILE A 77 -0.336 5.609 3.107 1.00 0.29 O ATOM 1147 CB ILE A 77 0.582 3.063 1.666 1.00 0.31 C ATOM 1148 CG1 ILE A 77 0.486 1.787 0.844 1.00 0.36 C ATOM 1149 CG2 ILE A 77 1.662 2.952 2.735 1.00 0.38 C ATOM 1150 CD1 ILE A 77 0.232 2.036 -0.614 1.00 0.49 C ATOM 0 H ILE A 77 -1.240 4.122 0.356 1.00 0.28 H new ATOM 0 HA ILE A 77 -1.228 2.495 2.691 1.00 0.27 H new ATOM 0 HB ILE A 77 0.882 3.889 1.021 1.00 0.31 H new ATOM 0 HG12 ILE A 77 1.412 1.223 0.953 1.00 0.36 H new ATOM 0 HG13 ILE A 77 -0.315 1.165 1.244 1.00 0.36 H new ATOM 0 HG21 ILE A 77 2.617 2.716 2.265 1.00 0.38 H new ATOM 0 HG22 ILE A 77 1.745 3.899 3.268 1.00 0.38 H new ATOM 0 HG23 ILE A 77 1.398 2.162 3.438 1.00 0.38 H new ATOM 0 HD11 ILE A 77 0.175 1.084 -1.141 1.00 0.49 H new ATOM 0 HD12 ILE A 77 -0.709 2.574 -0.733 1.00 0.49 H new ATOM 0 HD13 ILE A 77 1.045 2.632 -1.028 1.00 0.49 H new ATOM 1162 N MET A 78 -0.911 3.934 4.582 1.00 0.22 N ATOM 1163 CA MET A 78 -0.796 4.692 5.823 1.00 0.24 C ATOM 1164 C MET A 78 0.586 4.545 6.464 1.00 0.24 C ATOM 1165 O MET A 78 0.962 5.336 7.329 1.00 0.30 O ATOM 1166 CB MET A 78 -1.844 4.202 6.833 1.00 0.33 C ATOM 1167 CG MET A 78 -3.270 4.127 6.304 1.00 0.32 C ATOM 1168 SD MET A 78 -4.050 5.747 6.142 1.00 0.75 S ATOM 1169 CE MET A 78 -3.087 6.438 4.808 1.00 1.06 C ATOM 0 H MET A 78 -1.213 2.971 4.730 1.00 0.22 H new ATOM 0 HA MET A 78 -0.955 5.740 5.570 1.00 0.24 H new ATOM 0 HB2 MET A 78 -1.552 3.213 7.184 1.00 0.33 H new ATOM 0 HB3 MET A 78 -1.829 4.865 7.698 1.00 0.33 H new ATOM 0 HG2 MET A 78 -3.265 3.634 5.332 1.00 0.32 H new ATOM 0 HG3 MET A 78 -3.867 3.508 6.973 1.00 0.32 H new ATOM 0 HE1 MET A 78 -3.660 7.223 4.314 1.00 1.06 H new ATOM 0 HE2 MET A 78 -2.164 6.859 5.206 1.00 1.06 H new ATOM 0 HE3 MET A 78 -2.848 5.655 4.088 1.00 1.06 H new ATOM 1179 N GLN A 79 1.323 3.518 6.068 1.00 0.23 N ATOM 1180 CA GLN A 79 2.617 3.222 6.686 1.00 0.23 C ATOM 1181 C GLN A 79 3.355 2.099 5.949 1.00 0.24 C ATOM 1182 O GLN A 79 2.732 1.259 5.297 1.00 0.24 O ATOM 1183 CB GLN A 79 2.418 2.843 8.164 1.00 0.26 C ATOM 1184 CG GLN A 79 3.198 1.604 8.586 1.00 0.54 C ATOM 1185 CD GLN A 79 3.179 1.346 10.070 1.00 0.50 C ATOM 1186 OE1 GLN A 79 3.171 0.196 10.507 1.00 0.82 O ATOM 1187 NE2 GLN A 79 3.229 2.405 10.851 1.00 0.43 N ATOM 0 H GLN A 79 1.053 2.874 5.324 1.00 0.23 H new ATOM 0 HA GLN A 79 3.231 4.120 6.619 1.00 0.23 H new ATOM 0 HB2 GLN A 79 2.720 3.683 8.790 1.00 0.26 H new ATOM 0 HB3 GLN A 79 1.357 2.674 8.348 1.00 0.26 H new ATOM 0 HG2 GLN A 79 2.787 0.735 8.071 1.00 0.54 H new ATOM 0 HG3 GLN A 79 4.232 1.709 8.259 1.00 0.54 H new ATOM 0 HE21 GLN A 79 3.234 3.340 10.443 1.00 0.43 H new ATOM 0 HE22 GLN A 79 3.263 2.290 11.864 1.00 0.43 H new ATOM 1196 N VAL A 80 4.680 2.088 6.076 1.00 0.28 N ATOM 1197 CA VAL A 80 5.497 1.009 5.540 1.00 0.35 C ATOM 1198 C VAL A 80 6.656 0.692 6.488 1.00 0.31 C ATOM 1199 O VAL A 80 7.390 1.580 6.919 1.00 0.31 O ATOM 1200 CB VAL A 80 6.036 1.322 4.123 1.00 0.52 C ATOM 1201 CG1 VAL A 80 7.025 2.477 4.132 1.00 0.85 C ATOM 1202 CG2 VAL A 80 6.664 0.082 3.510 1.00 1.31 C ATOM 0 H VAL A 80 5.210 2.820 6.549 1.00 0.28 H new ATOM 0 HA VAL A 80 4.851 0.135 5.454 1.00 0.35 H new ATOM 0 HB VAL A 80 5.189 1.629 3.510 1.00 0.52 H new ATOM 0 HG11 VAL A 80 7.378 2.662 3.117 1.00 0.85 H new ATOM 0 HG12 VAL A 80 6.535 3.372 4.515 1.00 0.85 H new ATOM 0 HG13 VAL A 80 7.872 2.226 4.770 1.00 0.85 H new ATOM 0 HG21 VAL A 80 7.038 0.318 2.514 1.00 1.31 H new ATOM 0 HG22 VAL A 80 7.489 -0.256 4.137 1.00 1.31 H new ATOM 0 HG23 VAL A 80 5.916 -0.707 3.439 1.00 1.31 H new ATOM 1212 N ASN A 81 6.767 -0.582 6.847 1.00 0.34 N ATOM 1213 CA ASN A 81 7.855 -1.091 7.690 1.00 0.38 C ATOM 1214 C ASN A 81 7.937 -0.368 9.033 1.00 0.34 C ATOM 1215 O ASN A 81 9.008 -0.294 9.637 1.00 0.40 O ATOM 1216 CB ASN A 81 9.211 -0.996 6.979 1.00 0.46 C ATOM 1217 CG ASN A 81 9.437 -2.085 5.936 1.00 0.70 C ATOM 1218 OD1 ASN A 81 8.407 -2.442 5.178 1.00 1.50 O flip ATOM 1219 ND2 ASN A 81 10.547 -2.594 5.802 1.00 1.18 N flip ATOM 0 H ASN A 81 6.102 -1.300 6.561 1.00 0.34 H new ATOM 0 HA ASN A 81 7.622 -2.139 7.879 1.00 0.38 H new ATOM 0 HB2 ASN A 81 9.290 -0.022 6.496 1.00 0.46 H new ATOM 0 HB3 ASN A 81 10.005 -1.048 7.723 1.00 0.46 H new ATOM 0 HD21 ASN A 81 11.319 -2.299 6.400 1.00 1.18 H new ATOM 0 HD22 ASN A 81 10.697 -3.312 5.093 1.00 1.18 H new ATOM 1226 N GLY A 82 6.812 0.146 9.512 1.00 0.32 N ATOM 1227 CA GLY A 82 6.806 0.809 10.802 1.00 0.34 C ATOM 1228 C GLY A 82 6.888 2.318 10.682 1.00 0.31 C ATOM 1229 O GLY A 82 6.695 3.038 11.664 1.00 0.38 O ATOM 0 H GLY A 82 5.911 0.117 9.036 1.00 0.32 H new ATOM 0 HA2 GLY A 82 5.897 0.540 11.341 1.00 0.34 H new ATOM 0 HA3 GLY A 82 7.647 0.449 11.395 1.00 0.34 H new ATOM 1233 N TRP A 83 7.180 2.803 9.480 1.00 0.28 N ATOM 1234 CA TRP A 83 7.216 4.235 9.231 1.00 0.28 C ATOM 1235 C TRP A 83 5.819 4.710 8.949 1.00 0.29 C ATOM 1236 O TRP A 83 4.967 3.925 8.577 1.00 0.48 O ATOM 1237 CB TRP A 83 8.122 4.588 8.059 1.00 0.30 C ATOM 1238 CG TRP A 83 9.546 4.249 8.297 1.00 0.33 C ATOM 1239 CD1 TRP A 83 10.113 3.037 8.121 1.00 0.35 C ATOM 1240 CD2 TRP A 83 10.578 5.125 8.755 1.00 0.46 C ATOM 1241 NE1 TRP A 83 11.444 3.095 8.432 1.00 0.41 N ATOM 1242 CE2 TRP A 83 11.755 4.365 8.828 1.00 0.48 C ATOM 1243 CE3 TRP A 83 10.627 6.478 9.101 1.00 0.61 C ATOM 1244 CZ2 TRP A 83 12.967 4.906 9.232 1.00 0.62 C ATOM 1245 CZ3 TRP A 83 11.830 7.013 9.513 1.00 0.77 C ATOM 1246 CH2 TRP A 83 12.988 6.225 9.571 1.00 0.76 C ATOM 0 H TRP A 83 7.394 2.226 8.667 1.00 0.28 H new ATOM 0 HA TRP A 83 7.621 4.727 10.116 1.00 0.28 H new ATOM 0 HB2 TRP A 83 7.774 4.063 7.169 1.00 0.30 H new ATOM 0 HB3 TRP A 83 8.039 5.655 7.853 1.00 0.30 H new ATOM 0 HD1 TRP A 83 9.593 2.152 7.784 1.00 0.35 H new ATOM 0 HE1 TRP A 83 12.099 2.315 8.377 1.00 0.41 H new ATOM 0 HE3 TRP A 83 9.741 7.093 9.047 1.00 0.61 H new ATOM 0 HZ2 TRP A 83 13.862 4.303 9.276 1.00 0.62 H new ATOM 0 HZ3 TRP A 83 11.880 8.054 9.795 1.00 0.77 H new ATOM 0 HH2 TRP A 83 13.917 6.673 9.891 1.00 0.76 H new ATOM 1257 N ASP A 84 5.597 5.985 9.097 1.00 0.39 N ATOM 1258 CA ASP A 84 4.253 6.525 9.034 1.00 0.41 C ATOM 1259 C ASP A 84 4.041 7.377 7.786 1.00 0.40 C ATOM 1260 O ASP A 84 4.673 8.420 7.608 1.00 0.59 O ATOM 1261 CB ASP A 84 3.964 7.306 10.317 1.00 0.62 C ATOM 1262 CG ASP A 84 4.939 8.442 10.564 1.00 1.16 C ATOM 1263 OD1 ASP A 84 6.054 8.186 11.064 1.00 1.89 O ATOM 1264 OD2 ASP A 84 4.591 9.604 10.249 1.00 1.28 O ATOM 0 H ASP A 84 6.326 6.678 9.263 1.00 0.39 H new ATOM 0 HA ASP A 84 3.544 5.701 8.958 1.00 0.41 H new ATOM 0 HB2 ASP A 84 2.953 7.709 10.268 1.00 0.62 H new ATOM 0 HB3 ASP A 84 3.993 6.621 11.165 1.00 0.62 H new ATOM 1269 N MET A 85 3.182 6.893 6.897 1.00 0.36 N ATOM 1270 CA MET A 85 2.894 7.577 5.651 1.00 0.46 C ATOM 1271 C MET A 85 1.494 8.172 5.650 1.00 0.36 C ATOM 1272 O MET A 85 0.504 7.473 5.468 1.00 0.56 O ATOM 1273 CB MET A 85 3.055 6.632 4.453 1.00 0.76 C ATOM 1274 CG MET A 85 4.498 6.298 4.130 1.00 0.49 C ATOM 1275 SD MET A 85 5.324 5.418 5.466 1.00 1.01 S ATOM 1276 CE MET A 85 7.028 5.741 5.058 1.00 0.44 C ATOM 0 H MET A 85 2.670 6.020 7.022 1.00 0.36 H new ATOM 0 HA MET A 85 3.614 8.390 5.560 1.00 0.46 H new ATOM 0 HB2 MET A 85 2.514 5.708 4.655 1.00 0.76 H new ATOM 0 HB3 MET A 85 2.592 7.087 3.578 1.00 0.76 H new ATOM 0 HG2 MET A 85 4.532 5.691 3.225 1.00 0.49 H new ATOM 0 HG3 MET A 85 5.041 7.219 3.917 1.00 0.49 H new ATOM 0 HE1 MET A 85 7.614 4.833 5.198 1.00 0.44 H new ATOM 0 HE2 MET A 85 7.099 6.062 4.019 1.00 0.44 H new ATOM 0 HE3 MET A 85 7.415 6.526 5.708 1.00 0.44 H new ATOM 1286 N THR A 86 1.429 9.462 5.856 1.00 0.31 N ATOM 1287 CA THR A 86 0.215 10.223 5.655 1.00 0.35 C ATOM 1288 C THR A 86 0.479 11.261 4.601 1.00 0.46 C ATOM 1289 O THR A 86 -0.253 11.404 3.630 1.00 1.05 O ATOM 1290 CB THR A 86 -0.223 10.918 6.945 1.00 0.36 C ATOM 1291 OG1 THR A 86 0.934 11.277 7.720 1.00 0.47 O ATOM 1292 CG2 THR A 86 -1.133 10.014 7.738 1.00 0.37 C ATOM 0 H THR A 86 2.221 10.022 6.171 1.00 0.31 H new ATOM 0 HA THR A 86 -0.582 9.546 5.348 1.00 0.35 H new ATOM 0 HB THR A 86 -0.773 11.825 6.695 1.00 0.36 H new ATOM 0 HG1 THR A 86 0.650 11.723 8.545 1.00 0.47 H new ATOM 0 HG21 THR A 86 -1.439 10.519 8.654 1.00 0.37 H new ATOM 0 HG22 THR A 86 -2.015 9.774 7.144 1.00 0.37 H new ATOM 0 HG23 THR A 86 -0.604 9.095 7.989 1.00 0.37 H new ATOM 1300 N MET A 87 1.555 11.980 4.830 1.00 0.56 N ATOM 1301 CA MET A 87 2.078 12.921 3.876 1.00 0.65 C ATOM 1302 C MET A 87 3.573 12.712 3.831 1.00 0.76 C ATOM 1303 O MET A 87 4.330 13.323 4.585 1.00 1.49 O ATOM 1304 CB MET A 87 1.737 14.351 4.283 1.00 0.84 C ATOM 1305 CG MET A 87 0.617 14.421 5.315 1.00 0.97 C ATOM 1306 SD MET A 87 0.275 16.098 5.872 1.00 1.36 S ATOM 1307 CE MET A 87 -1.150 15.803 6.921 1.00 1.62 C ATOM 0 H MET A 87 2.094 11.924 5.694 1.00 0.56 H new ATOM 0 HA MET A 87 1.638 12.763 2.892 1.00 0.65 H new ATOM 0 HB2 MET A 87 2.628 14.831 4.688 1.00 0.84 H new ATOM 0 HB3 MET A 87 1.445 14.916 3.398 1.00 0.84 H new ATOM 0 HG2 MET A 87 -0.290 13.994 4.887 1.00 0.97 H new ATOM 0 HG3 MET A 87 0.884 13.806 6.175 1.00 0.97 H new ATOM 0 HE1 MET A 87 -1.489 16.747 7.348 1.00 1.62 H new ATOM 0 HE2 MET A 87 -1.953 15.363 6.329 1.00 1.62 H new ATOM 0 HE3 MET A 87 -0.875 15.120 7.724 1.00 1.62 H new ATOM 1317 N VAL A 88 3.982 11.783 2.986 1.00 0.40 N ATOM 1318 CA VAL A 88 5.364 11.343 2.933 1.00 0.45 C ATOM 1319 C VAL A 88 5.805 11.199 1.476 1.00 0.36 C ATOM 1320 O VAL A 88 5.018 10.786 0.636 1.00 0.39 O ATOM 1321 CB VAL A 88 5.499 10.013 3.727 1.00 0.60 C ATOM 1322 CG1 VAL A 88 6.493 9.050 3.111 1.00 0.72 C ATOM 1323 CG2 VAL A 88 5.886 10.303 5.170 1.00 1.09 C ATOM 0 H VAL A 88 3.368 11.314 2.320 1.00 0.40 H new ATOM 0 HA VAL A 88 6.021 12.079 3.395 1.00 0.45 H new ATOM 0 HB VAL A 88 4.524 9.527 3.690 1.00 0.60 H new ATOM 0 HG11 VAL A 88 6.541 8.142 3.712 1.00 0.72 H new ATOM 0 HG12 VAL A 88 6.177 8.799 2.099 1.00 0.72 H new ATOM 0 HG13 VAL A 88 7.478 9.515 3.078 1.00 0.72 H new ATOM 0 HG21 VAL A 88 5.978 9.365 5.718 1.00 1.09 H new ATOM 0 HG22 VAL A 88 6.839 10.831 5.192 1.00 1.09 H new ATOM 0 HG23 VAL A 88 5.118 10.921 5.635 1.00 1.09 H new ATOM 1333 N THR A 89 7.019 11.637 1.154 1.00 0.31 N ATOM 1334 CA THR A 89 7.520 11.546 -0.195 1.00 0.28 C ATOM 1335 C THR A 89 7.524 10.102 -0.698 1.00 0.26 C ATOM 1336 O THR A 89 7.693 9.166 0.081 1.00 0.26 O ATOM 1337 CB THR A 89 8.928 12.176 -0.293 1.00 0.31 C ATOM 1338 OG1 THR A 89 9.860 11.454 0.515 1.00 0.32 O ATOM 1339 CG2 THR A 89 8.875 13.626 0.166 1.00 0.35 C ATOM 0 H THR A 89 7.668 12.058 1.818 1.00 0.31 H new ATOM 0 HA THR A 89 6.847 12.109 -0.841 1.00 0.28 H new ATOM 0 HB THR A 89 9.256 12.131 -1.332 1.00 0.31 H new ATOM 0 HG1 THR A 89 10.746 11.866 0.439 1.00 0.32 H new ATOM 0 HG21 THR A 89 9.870 14.067 0.095 1.00 0.35 H new ATOM 0 HG22 THR A 89 8.185 14.183 -0.468 1.00 0.35 H new ATOM 0 HG23 THR A 89 8.532 13.668 1.200 1.00 0.35 H new ATOM 1347 N HIS A 90 7.307 9.925 -2.001 1.00 0.26 N ATOM 1348 CA HIS A 90 7.265 8.595 -2.600 1.00 0.25 C ATOM 1349 C HIS A 90 8.542 7.860 -2.318 1.00 0.27 C ATOM 1350 O HIS A 90 8.540 6.674 -2.018 1.00 0.30 O ATOM 1351 CB HIS A 90 7.059 8.695 -4.106 1.00 0.25 C ATOM 1352 CG HIS A 90 7.045 7.374 -4.820 1.00 0.26 C ATOM 1353 ND1 HIS A 90 7.320 7.253 -6.157 1.00 0.32 N ATOM 1354 CD2 HIS A 90 6.770 6.116 -4.385 1.00 0.27 C ATOM 1355 CE1 HIS A 90 7.218 5.993 -6.517 1.00 0.35 C ATOM 1356 NE2 HIS A 90 6.886 5.278 -5.462 1.00 0.32 N ATOM 0 H HIS A 90 7.158 10.688 -2.661 1.00 0.26 H new ATOM 0 HA HIS A 90 6.430 8.049 -2.162 1.00 0.25 H new ATOM 0 HB2 HIS A 90 6.117 9.208 -4.298 1.00 0.25 H new ATOM 0 HB3 HIS A 90 7.851 9.314 -4.528 1.00 0.25 H new ATOM 0 HD2 HIS A 90 6.508 5.830 -3.377 1.00 0.27 H new ATOM 0 HE1 HIS A 90 7.380 5.608 -7.513 1.00 0.35 H new ATOM 0 HE2 HIS A 90 6.740 4.269 -5.449 1.00 0.32 H new ATOM 1365 N ASP A 91 9.620 8.593 -2.411 1.00 0.31 N ATOM 1366 CA ASP A 91 10.939 8.026 -2.176 1.00 0.34 C ATOM 1367 C ASP A 91 11.101 7.685 -0.723 1.00 0.32 C ATOM 1368 O ASP A 91 11.811 6.747 -0.385 1.00 0.33 O ATOM 1369 CB ASP A 91 12.072 8.944 -2.616 1.00 0.41 C ATOM 1370 CG ASP A 91 12.427 8.743 -4.070 1.00 1.03 C ATOM 1371 OD1 ASP A 91 13.208 7.825 -4.371 1.00 1.67 O ATOM 1372 OD2 ASP A 91 11.940 9.529 -4.913 1.00 1.45 O ATOM 0 H ASP A 91 9.620 9.585 -2.647 1.00 0.31 H new ATOM 0 HA ASP A 91 11.004 7.125 -2.785 1.00 0.34 H new ATOM 0 HB2 ASP A 91 11.782 9.982 -2.453 1.00 0.41 H new ATOM 0 HB3 ASP A 91 12.951 8.758 -1.999 1.00 0.41 H new ATOM 1377 N GLN A 92 10.437 8.439 0.143 1.00 0.31 N ATOM 1378 CA GLN A 92 10.513 8.158 1.547 1.00 0.32 C ATOM 1379 C GLN A 92 9.910 6.788 1.787 1.00 0.29 C ATOM 1380 O GLN A 92 10.539 5.911 2.364 1.00 0.31 O ATOM 1381 CB GLN A 92 9.760 9.213 2.332 1.00 0.36 C ATOM 1382 CG GLN A 92 9.604 8.866 3.784 1.00 0.42 C ATOM 1383 CD GLN A 92 10.820 9.207 4.603 1.00 0.57 C ATOM 1384 OE1 GLN A 92 11.737 8.396 4.759 1.00 0.77 O ATOM 1385 NE2 GLN A 92 10.824 10.413 5.135 1.00 0.62 N ATOM 0 H GLN A 92 9.851 9.235 -0.109 1.00 0.31 H new ATOM 0 HA GLN A 92 11.551 8.171 1.879 1.00 0.32 H new ATOM 0 HB2 GLN A 92 10.284 10.165 2.246 1.00 0.36 H new ATOM 0 HB3 GLN A 92 8.774 9.352 1.890 1.00 0.36 H new ATOM 0 HG2 GLN A 92 8.741 9.395 4.188 1.00 0.42 H new ATOM 0 HG3 GLN A 92 9.397 7.800 3.877 1.00 0.42 H new ATOM 0 HE21 GLN A 92 10.039 11.044 4.974 1.00 0.62 H new ATOM 0 HE22 GLN A 92 11.612 10.715 5.708 1.00 0.62 H new ATOM 1394 N ALA A 93 8.709 6.593 1.263 1.00 0.27 N ATOM 1395 CA ALA A 93 7.995 5.343 1.452 1.00 0.28 C ATOM 1396 C ALA A 93 8.650 4.221 0.663 1.00 0.28 C ATOM 1397 O ALA A 93 8.653 3.072 1.088 1.00 0.33 O ATOM 1398 CB ALA A 93 6.542 5.505 1.047 1.00 0.33 C ATOM 0 H ALA A 93 8.210 7.285 0.704 1.00 0.27 H new ATOM 0 HA ALA A 93 8.035 5.078 2.509 1.00 0.28 H new ATOM 0 HB1 ALA A 93 6.016 4.561 1.193 1.00 0.33 H new ATOM 0 HB2 ALA A 93 6.078 6.278 1.660 1.00 0.33 H new ATOM 0 HB3 ALA A 93 6.487 5.792 -0.003 1.00 0.33 H new ATOM 1404 N ARG A 94 9.218 4.569 -0.481 1.00 0.27 N ATOM 1405 CA ARG A 94 9.869 3.592 -1.339 1.00 0.30 C ATOM 1406 C ARG A 94 11.160 3.099 -0.707 1.00 0.33 C ATOM 1407 O ARG A 94 11.480 1.913 -0.770 1.00 0.37 O ATOM 1408 CB ARG A 94 10.171 4.209 -2.699 1.00 0.34 C ATOM 1409 CG ARG A 94 10.514 3.184 -3.759 1.00 0.43 C ATOM 1410 CD ARG A 94 10.514 3.782 -5.157 1.00 0.57 C ATOM 1411 NE ARG A 94 11.394 4.944 -5.301 1.00 1.04 N ATOM 1412 CZ ARG A 94 11.824 5.403 -6.482 1.00 1.41 C ATOM 1413 NH1 ARG A 94 11.538 4.742 -7.598 1.00 1.57 N ATOM 1414 NH2 ARG A 94 12.548 6.513 -6.552 1.00 2.10 N ATOM 0 H ARG A 94 9.241 5.524 -0.838 1.00 0.27 H new ATOM 0 HA ARG A 94 9.194 2.746 -1.466 1.00 0.30 H new ATOM 0 HB2 ARG A 94 9.307 4.787 -3.028 1.00 0.34 H new ATOM 0 HB3 ARG A 94 11.001 4.908 -2.597 1.00 0.34 H new ATOM 0 HG2 ARG A 94 11.495 2.759 -3.547 1.00 0.43 H new ATOM 0 HG3 ARG A 94 9.796 2.365 -3.716 1.00 0.43 H new ATOM 0 HD2 ARG A 94 10.819 3.016 -5.870 1.00 0.57 H new ATOM 0 HD3 ARG A 94 9.497 4.073 -5.418 1.00 0.57 H new ATOM 0 HE ARG A 94 11.695 5.429 -4.456 1.00 1.04 H new ATOM 0 HH11 ARG A 94 10.990 3.883 -7.556 1.00 1.57 H new ATOM 0 HH12 ARG A 94 11.867 5.093 -8.497 1.00 1.57 H new ATOM 0 HH21 ARG A 94 12.781 7.024 -5.701 1.00 2.10 H new ATOM 0 HH22 ARG A 94 12.871 6.855 -7.457 1.00 2.10 H new ATOM 1428 N LYS A 95 11.899 4.015 -0.094 1.00 0.33 N ATOM 1429 CA LYS A 95 13.156 3.684 0.524 1.00 0.40 C ATOM 1430 C LYS A 95 12.899 2.846 1.765 1.00 0.42 C ATOM 1431 O LYS A 95 13.602 1.877 2.038 1.00 0.46 O ATOM 1432 CB LYS A 95 13.898 4.981 0.873 1.00 0.46 C ATOM 1433 CG LYS A 95 15.301 4.798 1.416 1.00 0.64 C ATOM 1434 CD LYS A 95 15.294 4.419 2.891 1.00 0.56 C ATOM 1435 CE LYS A 95 16.277 3.290 3.195 1.00 0.60 C ATOM 1436 NZ LYS A 95 17.696 3.711 3.035 1.00 0.96 N ATOM 0 H LYS A 95 11.638 4.998 -0.017 1.00 0.33 H new ATOM 0 HA LYS A 95 13.776 3.103 -0.158 1.00 0.40 H new ATOM 0 HB2 LYS A 95 13.950 5.602 -0.021 1.00 0.46 H new ATOM 0 HB3 LYS A 95 13.310 5.530 1.609 1.00 0.46 H new ATOM 0 HG2 LYS A 95 15.813 4.024 0.845 1.00 0.64 H new ATOM 0 HG3 LYS A 95 15.866 5.720 1.281 1.00 0.64 H new ATOM 0 HD2 LYS A 95 15.548 5.293 3.491 1.00 0.56 H new ATOM 0 HD3 LYS A 95 14.289 4.113 3.182 1.00 0.56 H new ATOM 0 HE2 LYS A 95 16.118 2.939 4.215 1.00 0.60 H new ATOM 0 HE3 LYS A 95 16.074 2.448 2.533 1.00 0.60 H new ATOM 0 HZ1 LYS A 95 18.322 2.910 3.253 1.00 0.96 H new ATOM 0 HZ2 LYS A 95 17.858 4.021 2.056 1.00 0.96 H new ATOM 0 HZ3 LYS A 95 17.900 4.497 3.685 1.00 0.96 H new ATOM 1450 N ARG A 96 11.872 3.239 2.513 1.00 0.45 N ATOM 1451 CA ARG A 96 11.491 2.538 3.729 1.00 0.51 C ATOM 1452 C ARG A 96 10.865 1.187 3.398 1.00 0.57 C ATOM 1453 O ARG A 96 10.773 0.307 4.250 1.00 0.72 O ATOM 1454 CB ARG A 96 10.538 3.379 4.582 1.00 0.55 C ATOM 1455 CG ARG A 96 11.060 4.771 4.893 1.00 0.59 C ATOM 1456 CD ARG A 96 12.472 4.750 5.448 1.00 0.72 C ATOM 1457 NE ARG A 96 13.045 6.091 5.522 1.00 1.98 N ATOM 1458 CZ ARG A 96 14.227 6.370 6.063 1.00 2.35 C ATOM 1459 NH1 ARG A 96 14.944 5.405 6.633 1.00 1.58 N ATOM 1460 NH2 ARG A 96 14.679 7.619 6.056 1.00 3.57 N ATOM 0 H ARG A 96 11.287 4.045 2.294 1.00 0.45 H new ATOM 0 HA ARG A 96 12.396 2.367 4.311 1.00 0.51 H new ATOM 0 HB2 ARG A 96 9.583 3.467 4.064 1.00 0.55 H new ATOM 0 HB3 ARG A 96 10.346 2.856 5.519 1.00 0.55 H new ATOM 0 HG2 ARG A 96 11.038 5.375 3.986 1.00 0.59 H new ATOM 0 HG3 ARG A 96 10.397 5.252 5.612 1.00 0.59 H new ATOM 0 HD2 ARG A 96 12.465 4.302 6.442 1.00 0.72 H new ATOM 0 HD3 ARG A 96 13.101 4.120 4.819 1.00 0.72 H new ATOM 0 HE ARG A 96 12.504 6.863 5.134 1.00 1.98 H new ATOM 0 HH11 ARG A 96 14.587 4.450 6.655 1.00 1.58 H new ATOM 0 HH12 ARG A 96 15.851 5.620 7.048 1.00 1.58 H new ATOM 0 HH21 ARG A 96 14.120 8.361 5.636 1.00 3.57 H new ATOM 0 HH22 ARG A 96 15.585 7.836 6.470 1.00 3.57 H new ATOM 1474 N LEU A 97 10.374 1.061 2.178 1.00 0.52 N ATOM 1475 CA LEU A 97 9.828 -0.193 1.696 1.00 0.57 C ATOM 1476 C LEU A 97 10.945 -1.211 1.474 1.00 0.64 C ATOM 1477 O LEU A 97 10.953 -2.290 2.069 1.00 0.96 O ATOM 1478 CB LEU A 97 9.085 0.058 0.381 1.00 0.70 C ATOM 1479 CG LEU A 97 7.935 -0.895 0.074 1.00 0.88 C ATOM 1480 CD1 LEU A 97 7.218 -0.453 -1.188 1.00 1.45 C ATOM 1481 CD2 LEU A 97 8.423 -2.330 -0.070 1.00 1.65 C ATOM 0 H LEU A 97 10.343 1.821 1.498 1.00 0.52 H new ATOM 0 HA LEU A 97 9.139 -0.594 2.440 1.00 0.57 H new ATOM 0 HB2 LEU A 97 8.694 1.075 0.395 1.00 0.70 H new ATOM 0 HB3 LEU A 97 9.804 0.004 -0.436 1.00 0.70 H new ATOM 0 HG LEU A 97 7.239 -0.865 0.912 1.00 0.88 H new ATOM 0 HD11 LEU A 97 6.398 -1.139 -1.400 1.00 1.45 H new ATOM 0 HD12 LEU A 97 6.822 0.553 -1.048 1.00 1.45 H new ATOM 0 HD13 LEU A 97 7.918 -0.455 -2.024 1.00 1.45 H new ATOM 0 HD21 LEU A 97 7.577 -2.982 -0.288 1.00 1.65 H new ATOM 0 HD22 LEU A 97 9.146 -2.389 -0.884 1.00 1.65 H new ATOM 0 HD23 LEU A 97 8.896 -2.648 0.859 1.00 1.65 H new ATOM 1493 N THR A 98 11.892 -0.850 0.625 1.00 0.54 N ATOM 1494 CA THR A 98 12.906 -1.787 0.174 1.00 0.65 C ATOM 1495 C THR A 98 14.220 -1.597 0.912 1.00 0.74 C ATOM 1496 O THR A 98 15.075 -0.808 0.513 1.00 1.53 O ATOM 1497 CB THR A 98 13.139 -1.660 -1.346 1.00 0.92 C ATOM 1498 OG1 THR A 98 11.878 -1.530 -2.009 1.00 1.15 O ATOM 1499 CG2 THR A 98 13.872 -2.873 -1.900 1.00 1.12 C ATOM 0 H THR A 98 11.980 0.088 0.233 1.00 0.54 H new ATOM 0 HA THR A 98 12.533 -2.787 0.395 1.00 0.65 H new ATOM 0 HB THR A 98 13.755 -0.778 -1.522 1.00 0.92 H new ATOM 0 HG1 THR A 98 12.023 -1.447 -2.975 1.00 1.15 H new ATOM 0 HG21 THR A 98 14.019 -2.750 -2.973 1.00 1.12 H new ATOM 0 HG22 THR A 98 14.841 -2.968 -1.409 1.00 1.12 H new ATOM 0 HG23 THR A 98 13.282 -3.771 -1.715 1.00 1.12 H new ATOM 1507 N LYS A 99 14.344 -2.313 2.013 1.00 0.79 N ATOM 1508 CA LYS A 99 15.599 -2.410 2.726 1.00 1.12 C ATOM 1509 C LYS A 99 16.154 -3.813 2.577 1.00 1.36 C ATOM 1510 O LYS A 99 15.532 -4.778 3.019 1.00 2.28 O ATOM 1511 CB LYS A 99 15.421 -2.108 4.210 1.00 1.29 C ATOM 1512 CG LYS A 99 15.557 -0.647 4.591 1.00 1.18 C ATOM 1513 CD LYS A 99 14.225 0.072 4.527 1.00 1.56 C ATOM 1514 CE LYS A 99 13.202 -0.579 5.452 1.00 1.98 C ATOM 1515 NZ LYS A 99 13.607 -0.513 6.886 1.00 2.72 N ATOM 0 H LYS A 99 13.580 -2.841 2.435 1.00 0.79 H new ATOM 0 HA LYS A 99 16.285 -1.677 2.302 1.00 1.12 H new ATOM 0 HB2 LYS A 99 14.436 -2.458 4.520 1.00 1.29 H new ATOM 0 HB3 LYS A 99 16.156 -2.684 4.773 1.00 1.29 H new ATOM 0 HG2 LYS A 99 15.965 -0.570 5.599 1.00 1.18 H new ATOM 0 HG3 LYS A 99 16.266 -0.160 3.922 1.00 1.18 H new ATOM 0 HD2 LYS A 99 14.359 1.117 4.807 1.00 1.56 H new ATOM 0 HD3 LYS A 99 13.852 0.061 3.503 1.00 1.56 H new ATOM 0 HE2 LYS A 99 12.238 -0.086 5.327 1.00 1.98 H new ATOM 0 HE3 LYS A 99 13.067 -1.621 5.163 1.00 1.98 H new ATOM 0 HZ1 LYS A 99 12.773 -0.663 7.489 1.00 2.72 H new ATOM 0 HZ2 LYS A 99 14.313 -1.251 7.082 1.00 2.72 H new ATOM 0 HZ3 LYS A 99 14.017 0.421 7.088 1.00 2.72 H new ATOM 1529 N ARG A 100 17.326 -3.917 1.968 1.00 1.04 N ATOM 1530 CA ARG A 100 18.011 -5.203 1.763 1.00 1.17 C ATOM 1531 C ARG A 100 18.501 -5.802 3.092 1.00 1.12 C ATOM 1532 O ARG A 100 19.503 -6.518 3.130 1.00 1.39 O ATOM 1533 CB ARG A 100 19.213 -5.007 0.837 1.00 1.55 C ATOM 1534 CG ARG A 100 18.933 -4.120 -0.363 1.00 2.10 C ATOM 1535 CD ARG A 100 20.168 -3.978 -1.232 1.00 2.50 C ATOM 1536 NE ARG A 100 20.045 -2.894 -2.206 1.00 3.10 N ATOM 1537 CZ ARG A 100 20.820 -2.778 -3.284 1.00 3.59 C ATOM 1538 NH1 ARG A 100 21.677 -3.743 -3.591 1.00 3.60 N ATOM 1539 NH2 ARG A 100 20.720 -1.714 -4.069 1.00 4.38 N ATOM 0 H ARG A 100 17.837 -3.116 1.598 1.00 1.04 H new ATOM 0 HA ARG A 100 17.294 -5.891 1.316 1.00 1.17 H new ATOM 0 HB2 ARG A 100 20.033 -4.576 1.411 1.00 1.55 H new ATOM 0 HB3 ARG A 100 19.549 -5.982 0.484 1.00 1.55 H new ATOM 0 HG2 ARG A 100 18.117 -4.542 -0.950 1.00 2.10 H new ATOM 0 HG3 ARG A 100 18.606 -3.137 -0.025 1.00 2.10 H new ATOM 0 HD2 ARG A 100 21.036 -3.796 -0.598 1.00 2.50 H new ATOM 0 HD3 ARG A 100 20.349 -4.916 -1.758 1.00 2.50 H new ATOM 0 HE ARG A 100 19.326 -2.187 -2.052 1.00 3.10 H new ATOM 0 HH11 ARG A 100 21.743 -4.573 -3.002 1.00 3.60 H new ATOM 0 HH12 ARG A 100 22.270 -3.655 -4.416 1.00 3.60 H new ATOM 0 HH21 ARG A 100 20.048 -0.979 -3.849 1.00 4.38 H new ATOM 0 HH22 ARG A 100 21.316 -1.630 -4.893 1.00 4.38 H new ATOM 1553 N SER A 101 17.767 -5.535 4.162 1.00 1.05 N ATOM 1554 CA SER A 101 18.183 -5.912 5.503 1.00 1.37 C ATOM 1555 C SER A 101 16.999 -6.442 6.316 1.00 1.22 C ATOM 1556 O SER A 101 17.173 -7.254 7.224 1.00 1.64 O ATOM 1557 CB SER A 101 18.806 -4.703 6.204 1.00 1.90 C ATOM 1558 OG SER A 101 19.798 -4.093 5.390 1.00 2.51 O ATOM 0 H SER A 101 16.869 -5.052 4.125 1.00 1.05 H new ATOM 0 HA SER A 101 18.923 -6.709 5.427 1.00 1.37 H new ATOM 0 HB2 SER A 101 18.029 -3.976 6.441 1.00 1.90 H new ATOM 0 HB3 SER A 101 19.249 -5.016 7.149 1.00 1.90 H new ATOM 0 HG SER A 101 20.179 -3.322 5.861 1.00 2.51 H new ATOM 1564 N GLU A 102 15.792 -5.982 5.987 1.00 1.06 N ATOM 1565 CA GLU A 102 14.589 -6.434 6.670 1.00 1.19 C ATOM 1566 C GLU A 102 14.331 -7.901 6.362 1.00 0.93 C ATOM 1567 O GLU A 102 14.577 -8.359 5.248 1.00 1.34 O ATOM 1568 CB GLU A 102 13.377 -5.606 6.232 1.00 1.63 C ATOM 1569 CG GLU A 102 13.560 -4.104 6.379 1.00 2.12 C ATOM 1570 CD GLU A 102 13.883 -3.673 7.796 1.00 2.70 C ATOM 1571 OE1 GLU A 102 13.323 -4.275 8.739 1.00 3.40 O ATOM 1572 OE2 GLU A 102 14.704 -2.751 7.970 1.00 2.95 O ATOM 0 H GLU A 102 15.626 -5.296 5.251 1.00 1.06 H new ATOM 0 HA GLU A 102 14.739 -6.307 7.742 1.00 1.19 H new ATOM 0 HB2 GLU A 102 13.154 -5.833 5.189 1.00 1.63 H new ATOM 0 HB3 GLU A 102 12.511 -5.914 6.817 1.00 1.63 H new ATOM 0 HG2 GLU A 102 14.361 -3.776 5.716 1.00 2.12 H new ATOM 0 HG3 GLU A 102 12.650 -3.601 6.053 1.00 2.12 H new ATOM 1579 N GLU A 103 13.847 -8.633 7.350 1.00 0.74 N ATOM 1580 CA GLU A 103 13.489 -10.032 7.155 1.00 0.68 C ATOM 1581 C GLU A 103 12.007 -10.149 6.827 1.00 0.54 C ATOM 1582 O GLU A 103 11.520 -11.207 6.430 1.00 0.61 O ATOM 1583 CB GLU A 103 13.813 -10.845 8.409 1.00 0.95 C ATOM 1584 CG GLU A 103 13.064 -10.388 9.647 1.00 1.37 C ATOM 1585 CD GLU A 103 13.278 -11.324 10.813 1.00 2.16 C ATOM 1586 OE1 GLU A 103 14.230 -11.108 11.586 1.00 2.58 O ATOM 1587 OE2 GLU A 103 12.474 -12.266 10.980 1.00 2.68 O ATOM 0 H GLU A 103 13.692 -8.285 8.296 1.00 0.74 H new ATOM 0 HA GLU A 103 14.071 -10.428 6.323 1.00 0.68 H new ATOM 0 HB2 GLU A 103 13.580 -11.893 8.221 1.00 0.95 H new ATOM 0 HB3 GLU A 103 14.884 -10.786 8.602 1.00 0.95 H new ATOM 0 HG2 GLU A 103 13.393 -9.386 9.921 1.00 1.37 H new ATOM 0 HG3 GLU A 103 11.999 -10.324 9.424 1.00 1.37 H new ATOM 1594 N VAL A 104 11.301 -9.042 6.982 1.00 0.40 N ATOM 1595 CA VAL A 104 9.863 -9.009 6.806 1.00 0.33 C ATOM 1596 C VAL A 104 9.436 -7.612 6.372 1.00 0.29 C ATOM 1597 O VAL A 104 10.076 -6.625 6.730 1.00 0.34 O ATOM 1598 CB VAL A 104 9.130 -9.426 8.111 1.00 0.38 C ATOM 1599 CG1 VAL A 104 9.566 -8.565 9.289 1.00 0.44 C ATOM 1600 CG2 VAL A 104 7.620 -9.372 7.932 1.00 0.37 C ATOM 0 H VAL A 104 11.710 -8.142 7.233 1.00 0.40 H new ATOM 0 HA VAL A 104 9.588 -9.725 6.032 1.00 0.33 H new ATOM 0 HB VAL A 104 9.408 -10.457 8.329 1.00 0.38 H new ATOM 0 HG11 VAL A 104 9.035 -8.881 10.187 1.00 0.44 H new ATOM 0 HG12 VAL A 104 10.639 -8.676 9.443 1.00 0.44 H new ATOM 0 HG13 VAL A 104 9.336 -7.520 9.081 1.00 0.44 H new ATOM 0 HG21 VAL A 104 7.133 -9.669 8.861 1.00 0.37 H new ATOM 0 HG22 VAL A 104 7.320 -8.356 7.673 1.00 0.37 H new ATOM 0 HG23 VAL A 104 7.324 -10.052 7.133 1.00 0.37 H new ATOM 1610 N VAL A 105 8.381 -7.528 5.583 1.00 0.28 N ATOM 1611 CA VAL A 105 7.925 -6.258 5.065 1.00 0.28 C ATOM 1612 C VAL A 105 6.540 -5.924 5.559 1.00 0.26 C ATOM 1613 O VAL A 105 5.568 -6.642 5.316 1.00 0.26 O ATOM 1614 CB VAL A 105 7.965 -6.202 3.539 1.00 0.31 C ATOM 1615 CG1 VAL A 105 7.249 -4.965 3.036 1.00 0.34 C ATOM 1616 CG2 VAL A 105 9.402 -6.205 3.094 1.00 0.46 C ATOM 0 H VAL A 105 7.824 -8.330 5.288 1.00 0.28 H new ATOM 0 HA VAL A 105 8.621 -5.509 5.443 1.00 0.28 H new ATOM 0 HB VAL A 105 7.455 -7.071 3.124 1.00 0.31 H new ATOM 0 HG11 VAL A 105 7.287 -4.940 1.947 1.00 0.34 H new ATOM 0 HG12 VAL A 105 6.209 -4.988 3.363 1.00 0.34 H new ATOM 0 HG13 VAL A 105 7.735 -4.075 3.436 1.00 0.34 H new ATOM 0 HG21 VAL A 105 9.446 -6.165 2.006 1.00 0.46 H new ATOM 0 HG22 VAL A 105 9.913 -5.337 3.510 1.00 0.46 H new ATOM 0 HG23 VAL A 105 9.889 -7.115 3.444 1.00 0.46 H new ATOM 1626 N ARG A 106 6.494 -4.834 6.280 1.00 0.29 N ATOM 1627 CA ARG A 106 5.302 -4.375 6.933 1.00 0.28 C ATOM 1628 C ARG A 106 4.640 -3.286 6.114 1.00 0.26 C ATOM 1629 O ARG A 106 5.305 -2.368 5.646 1.00 0.32 O ATOM 1630 CB ARG A 106 5.671 -3.852 8.310 1.00 0.35 C ATOM 1631 CG ARG A 106 6.418 -4.864 9.169 1.00 0.43 C ATOM 1632 CD ARG A 106 7.889 -5.014 8.755 1.00 0.54 C ATOM 1633 NE ARG A 106 8.792 -5.026 9.908 1.00 0.81 N ATOM 1634 CZ ARG A 106 10.111 -4.819 9.837 1.00 1.26 C ATOM 1635 NH1 ARG A 106 10.705 -4.659 8.662 1.00 1.76 N ATOM 1636 NH2 ARG A 106 10.845 -4.802 10.944 1.00 1.46 N ATOM 0 H ARG A 106 7.302 -4.230 6.431 1.00 0.29 H new ATOM 0 HA ARG A 106 4.596 -5.199 7.032 1.00 0.28 H new ATOM 0 HB2 ARG A 106 6.287 -2.960 8.197 1.00 0.35 H new ATOM 0 HB3 ARG A 106 4.762 -3.548 8.829 1.00 0.35 H new ATOM 0 HG2 ARG A 106 6.367 -4.557 10.214 1.00 0.43 H new ATOM 0 HG3 ARG A 106 5.923 -5.832 9.097 1.00 0.43 H new ATOM 0 HD2 ARG A 106 8.013 -5.938 8.190 1.00 0.54 H new ATOM 0 HD3 ARG A 106 8.163 -4.194 8.090 1.00 0.54 H new ATOM 0 HE ARG A 106 8.387 -5.204 10.827 1.00 0.81 H new ATOM 0 HH11 ARG A 106 10.155 -4.693 7.804 1.00 1.76 H new ATOM 0 HH12 ARG A 106 11.712 -4.502 8.617 1.00 1.76 H new ATOM 0 HH21 ARG A 106 10.403 -4.947 11.852 1.00 1.46 H new ATOM 0 HH22 ARG A 106 11.851 -4.644 10.886 1.00 1.46 H new ATOM 1650 N LEU A 107 3.351 -3.397 5.928 1.00 0.24 N ATOM 1651 CA LEU A 107 2.596 -2.387 5.199 1.00 0.24 C ATOM 1652 C LEU A 107 1.309 -2.037 5.932 1.00 0.21 C ATOM 1653 O LEU A 107 0.584 -2.926 6.369 1.00 0.28 O ATOM 1654 CB LEU A 107 2.255 -2.876 3.793 1.00 0.37 C ATOM 1655 CG LEU A 107 1.576 -1.832 2.906 1.00 0.57 C ATOM 1656 CD1 LEU A 107 2.582 -0.788 2.439 1.00 0.98 C ATOM 1657 CD2 LEU A 107 0.901 -2.499 1.724 1.00 1.12 C ATOM 0 H LEU A 107 2.791 -4.178 6.270 1.00 0.24 H new ATOM 0 HA LEU A 107 3.221 -1.497 5.129 1.00 0.24 H new ATOM 0 HB2 LEU A 107 3.171 -3.208 3.305 1.00 0.37 H new ATOM 0 HB3 LEU A 107 1.603 -3.746 3.873 1.00 0.37 H new ATOM 0 HG LEU A 107 0.811 -1.324 3.493 1.00 0.57 H new ATOM 0 HD11 LEU A 107 2.079 -0.054 1.809 1.00 0.98 H new ATOM 0 HD12 LEU A 107 3.015 -0.287 3.305 1.00 0.98 H new ATOM 0 HD13 LEU A 107 3.373 -1.275 1.868 1.00 0.98 H new ATOM 0 HD21 LEU A 107 0.423 -1.742 1.103 1.00 1.12 H new ATOM 0 HD22 LEU A 107 1.645 -3.034 1.135 1.00 1.12 H new ATOM 0 HD23 LEU A 107 0.149 -3.201 2.083 1.00 1.12 H new ATOM 1669 N LEU A 108 1.008 -0.756 6.046 1.00 0.18 N ATOM 1670 CA LEU A 108 -0.260 -0.331 6.575 1.00 0.15 C ATOM 1671 C LEU A 108 -0.982 0.380 5.460 1.00 0.15 C ATOM 1672 O LEU A 108 -0.526 1.413 4.989 1.00 0.24 O ATOM 1673 CB LEU A 108 -0.049 0.590 7.774 1.00 0.19 C ATOM 1674 CG LEU A 108 -1.303 1.256 8.337 1.00 0.28 C ATOM 1675 CD1 LEU A 108 -2.324 0.197 8.722 1.00 0.42 C ATOM 1676 CD2 LEU A 108 -0.940 2.116 9.545 1.00 0.26 C ATOM 0 H LEU A 108 1.632 0.005 5.776 1.00 0.18 H new ATOM 0 HA LEU A 108 -0.848 -1.179 6.926 1.00 0.15 H new ATOM 0 HB2 LEU A 108 0.421 0.014 8.571 1.00 0.19 H new ATOM 0 HB3 LEU A 108 0.655 1.371 7.487 1.00 0.19 H new ATOM 0 HG LEU A 108 -1.741 1.899 7.573 1.00 0.28 H new ATOM 0 HD11 LEU A 108 -3.215 0.680 9.123 1.00 0.42 H new ATOM 0 HD12 LEU A 108 -2.592 -0.387 7.842 1.00 0.42 H new ATOM 0 HD13 LEU A 108 -1.897 -0.462 9.478 1.00 0.42 H new ATOM 0 HD21 LEU A 108 -1.840 2.587 9.940 1.00 0.26 H new ATOM 0 HD22 LEU A 108 -0.490 1.490 10.315 1.00 0.26 H new ATOM 0 HD23 LEU A 108 -0.230 2.886 9.243 1.00 0.26 H new ATOM 1688 N VAL A 109 -2.074 -0.179 5.007 1.00 0.18 N ATOM 1689 CA VAL A 109 -2.714 0.339 3.832 1.00 0.21 C ATOM 1690 C VAL A 109 -4.178 0.566 4.087 1.00 0.22 C ATOM 1691 O VAL A 109 -4.788 -0.114 4.902 1.00 0.27 O ATOM 1692 CB VAL A 109 -2.532 -0.617 2.640 1.00 0.32 C ATOM 1693 CG1 VAL A 109 -3.713 -1.561 2.463 1.00 0.69 C ATOM 1694 CG2 VAL A 109 -2.278 0.171 1.387 1.00 0.77 C ATOM 0 H VAL A 109 -2.533 -0.985 5.431 1.00 0.18 H new ATOM 0 HA VAL A 109 -2.245 1.292 3.587 1.00 0.21 H new ATOM 0 HB VAL A 109 -1.666 -1.245 2.850 1.00 0.32 H new ATOM 0 HG11 VAL A 109 -3.533 -2.213 1.608 1.00 0.69 H new ATOM 0 HG12 VAL A 109 -3.833 -2.166 3.362 1.00 0.69 H new ATOM 0 HG13 VAL A 109 -4.620 -0.981 2.292 1.00 0.69 H new ATOM 0 HG21 VAL A 109 -2.150 -0.512 0.547 1.00 0.77 H new ATOM 0 HG22 VAL A 109 -3.125 0.830 1.193 1.00 0.77 H new ATOM 0 HG23 VAL A 109 -1.375 0.768 1.510 1.00 0.77 H new ATOM 1704 N THR A 110 -4.738 1.533 3.414 1.00 0.22 N ATOM 1705 CA THR A 110 -6.160 1.702 3.455 1.00 0.25 C ATOM 1706 C THR A 110 -6.794 1.055 2.232 1.00 0.26 C ATOM 1707 O THR A 110 -6.568 1.467 1.092 1.00 0.30 O ATOM 1708 CB THR A 110 -6.550 3.174 3.524 1.00 0.30 C ATOM 1709 OG1 THR A 110 -5.511 3.931 4.148 1.00 0.34 O ATOM 1710 CG2 THR A 110 -7.816 3.326 4.322 1.00 0.33 C ATOM 0 H THR A 110 -4.236 2.208 2.837 1.00 0.22 H new ATOM 0 HA THR A 110 -6.528 1.217 4.359 1.00 0.25 H new ATOM 0 HB THR A 110 -6.705 3.542 2.510 1.00 0.30 H new ATOM 0 HG1 THR A 110 -4.818 4.141 3.488 1.00 0.34 H new ATOM 0 HG21 THR A 110 -8.092 4.379 4.369 1.00 0.33 H new ATOM 0 HG22 THR A 110 -8.617 2.762 3.844 1.00 0.33 H new ATOM 0 HG23 THR A 110 -7.658 2.947 5.332 1.00 0.33 H new ATOM 1718 N ARG A 111 -7.583 0.039 2.512 1.00 0.30 N ATOM 1719 CA ARG A 111 -8.181 -0.816 1.509 1.00 0.37 C ATOM 1720 C ARG A 111 -9.626 -0.388 1.267 1.00 0.42 C ATOM 1721 O ARG A 111 -10.349 -0.099 2.217 1.00 0.49 O ATOM 1722 CB ARG A 111 -8.101 -2.255 2.034 1.00 0.53 C ATOM 1723 CG ARG A 111 -9.416 -3.009 2.031 1.00 0.47 C ATOM 1724 CD ARG A 111 -9.355 -4.229 2.935 1.00 0.58 C ATOM 1725 NE ARG A 111 -10.608 -4.982 2.908 1.00 1.06 N ATOM 1726 CZ ARG A 111 -11.018 -5.819 3.867 1.00 1.44 C ATOM 1727 NH1 ARG A 111 -10.311 -5.970 4.984 1.00 1.63 N ATOM 1728 NH2 ARG A 111 -12.152 -6.494 3.705 1.00 2.01 N ATOM 0 H ARG A 111 -7.832 -0.221 3.466 1.00 0.30 H new ATOM 0 HA ARG A 111 -7.658 -0.743 0.556 1.00 0.37 H new ATOM 0 HB2 ARG A 111 -7.381 -2.807 1.430 1.00 0.53 H new ATOM 0 HB3 ARG A 111 -7.713 -2.234 3.052 1.00 0.53 H new ATOM 0 HG2 ARG A 111 -10.217 -2.348 2.362 1.00 0.47 H new ATOM 0 HG3 ARG A 111 -9.658 -3.319 1.014 1.00 0.47 H new ATOM 0 HD2 ARG A 111 -8.535 -4.875 2.621 1.00 0.58 H new ATOM 0 HD3 ARG A 111 -9.140 -3.915 3.957 1.00 0.58 H new ATOM 0 HE ARG A 111 -11.215 -4.860 2.097 1.00 1.06 H new ATOM 0 HH11 ARG A 111 -9.447 -5.445 5.115 1.00 1.63 H new ATOM 0 HH12 ARG A 111 -10.633 -6.611 5.709 1.00 1.63 H new ATOM 0 HH21 ARG A 111 -12.702 -6.371 2.854 1.00 2.01 H new ATOM 0 HH22 ARG A 111 -12.472 -7.135 4.431 1.00 2.01 H new ATOM 1742 N GLN A 112 -10.059 -0.329 0.014 1.00 0.56 N ATOM 1743 CA GLN A 112 -11.416 0.127 -0.245 1.00 0.71 C ATOM 1744 C GLN A 112 -12.355 -1.010 -0.651 1.00 0.89 C ATOM 1745 O GLN A 112 -13.352 -1.243 0.026 1.00 1.36 O ATOM 1746 CB GLN A 112 -11.464 1.302 -1.238 1.00 0.78 C ATOM 1747 CG GLN A 112 -10.881 1.049 -2.610 1.00 0.71 C ATOM 1748 CD GLN A 112 -9.455 1.546 -2.787 1.00 0.95 C ATOM 1749 OE1 GLN A 112 -8.645 1.504 -1.737 1.00 1.97 O flip ATOM 1750 NE2 GLN A 112 -9.086 1.974 -3.875 1.00 0.66 N flip ATOM 0 H GLN A 112 -9.513 -0.581 -0.810 1.00 0.56 H new ATOM 0 HA GLN A 112 -11.789 0.508 0.706 1.00 0.71 H new ATOM 0 HB2 GLN A 112 -12.504 1.604 -1.360 1.00 0.78 H new ATOM 0 HB3 GLN A 112 -10.937 2.146 -0.794 1.00 0.78 H new ATOM 0 HG2 GLN A 112 -10.907 -0.022 -2.811 1.00 0.71 H new ATOM 0 HG3 GLN A 112 -11.515 1.529 -3.355 1.00 0.71 H new ATOM 0 HE21 GLN A 112 -9.734 1.992 -4.662 1.00 0.66 H new ATOM 0 HE22 GLN A 112 -8.131 2.312 -3.993 1.00 0.66 H new ATOM 1759 N SER A 113 -12.027 -1.741 -1.707 1.00 0.79 N ATOM 1760 CA SER A 113 -12.935 -2.777 -2.209 1.00 0.96 C ATOM 1761 C SER A 113 -12.314 -3.583 -3.353 1.00 0.89 C ATOM 1762 O SER A 113 -13.029 -4.138 -4.185 1.00 1.18 O ATOM 1763 CB SER A 113 -14.241 -2.119 -2.687 1.00 1.25 C ATOM 1764 OG SER A 113 -15.226 -3.079 -3.029 1.00 1.62 O ATOM 0 H SER A 113 -11.156 -1.644 -2.229 1.00 0.79 H new ATOM 0 HA SER A 113 -13.136 -3.471 -1.393 1.00 0.96 H new ATOM 0 HB2 SER A 113 -14.627 -1.468 -1.903 1.00 1.25 H new ATOM 0 HB3 SER A 113 -14.034 -1.489 -3.552 1.00 1.25 H new ATOM 0 HG SER A 113 -14.815 -3.795 -3.557 1.00 1.62 H new ATOM 1770 N LEU A 114 -10.992 -3.692 -3.380 1.00 0.90 N ATOM 1771 CA LEU A 114 -10.324 -4.370 -4.495 1.00 0.94 C ATOM 1772 C LEU A 114 -9.959 -5.804 -4.111 1.00 1.13 C ATOM 1773 O LEU A 114 -9.057 -6.400 -4.706 1.00 1.65 O ATOM 1774 CB LEU A 114 -9.041 -3.637 -4.938 1.00 0.90 C ATOM 1775 CG LEU A 114 -9.054 -2.101 -4.914 1.00 0.85 C ATOM 1776 CD1 LEU A 114 -10.345 -1.532 -5.486 1.00 1.43 C ATOM 1777 CD2 LEU A 114 -8.804 -1.599 -3.502 1.00 1.23 C ATOM 0 H LEU A 114 -10.367 -3.329 -2.660 1.00 0.90 H new ATOM 0 HA LEU A 114 -11.029 -4.370 -5.326 1.00 0.94 H new ATOM 0 HB2 LEU A 114 -8.224 -3.976 -4.301 1.00 0.90 H new ATOM 0 HB3 LEU A 114 -8.806 -3.955 -5.954 1.00 0.90 H new ATOM 0 HG LEU A 114 -8.248 -1.748 -5.557 1.00 0.85 H new ATOM 0 HD11 LEU A 114 -10.310 -0.443 -5.449 1.00 1.43 H new ATOM 0 HD12 LEU A 114 -10.459 -1.857 -6.520 1.00 1.43 H new ATOM 0 HD13 LEU A 114 -11.191 -1.888 -4.899 1.00 1.43 H new ATOM 0 HD21 LEU A 114 -8.815 -0.509 -3.496 1.00 1.23 H new ATOM 0 HD22 LEU A 114 -9.584 -1.974 -2.839 1.00 1.23 H new ATOM 0 HD23 LEU A 114 -7.833 -1.954 -3.156 1.00 1.23 H new ATOM 1789 N GLN A 115 -10.658 -6.356 -3.125 1.00 1.02 N ATOM 1790 CA GLN A 115 -10.367 -7.707 -2.661 1.00 1.26 C ATOM 1791 C GLN A 115 -10.617 -8.737 -3.763 1.00 1.27 C ATOM 1792 O GLN A 115 -11.717 -8.819 -4.306 1.00 1.34 O ATOM 1793 CB GLN A 115 -11.200 -8.072 -1.426 1.00 1.55 C ATOM 1794 CG GLN A 115 -10.780 -7.359 -0.151 1.00 2.26 C ATOM 1795 CD GLN A 115 -11.614 -6.132 0.150 1.00 2.88 C ATOM 1796 OE1 GLN A 115 -12.642 -6.217 0.816 1.00 3.53 O ATOM 1797 NE2 GLN A 115 -11.159 -4.978 -0.301 1.00 3.18 N ATOM 0 H GLN A 115 -11.424 -5.893 -2.635 1.00 1.02 H new ATOM 0 HA GLN A 115 -9.312 -7.725 -2.389 1.00 1.26 H new ATOM 0 HB2 GLN A 115 -12.246 -7.843 -1.628 1.00 1.55 H new ATOM 0 HB3 GLN A 115 -11.135 -9.148 -1.264 1.00 1.55 H new ATOM 0 HG2 GLN A 115 -10.852 -8.053 0.686 1.00 2.26 H new ATOM 0 HG3 GLN A 115 -9.733 -7.067 -0.234 1.00 2.26 H new ATOM 0 HE21 GLN A 115 -10.301 -4.948 -0.851 1.00 3.18 H new ATOM 0 HE22 GLN A 115 -11.666 -4.116 -0.099 1.00 3.18 H new ATOM 1806 N LYS A 116 -9.595 -9.532 -4.070 1.00 1.61 N ATOM 1807 CA LYS A 116 -9.690 -10.558 -5.108 1.00 1.82 C ATOM 1808 C LYS A 116 -10.341 -11.827 -4.561 1.00 2.23 C ATOM 1809 O LYS A 116 -9.957 -12.931 -4.952 1.00 2.85 O ATOM 1810 CB LYS A 116 -8.295 -10.926 -5.621 1.00 2.03 C ATOM 1811 CG LYS A 116 -7.397 -9.746 -5.957 1.00 2.25 C ATOM 1812 CD LYS A 116 -6.058 -10.233 -6.491 1.00 2.52 C ATOM 1813 CE LYS A 116 -5.012 -9.130 -6.516 1.00 3.01 C ATOM 1814 NZ LYS A 116 -3.721 -9.610 -7.076 1.00 3.60 N ATOM 0 H LYS A 116 -8.685 -9.485 -3.612 1.00 1.61 H new ATOM 0 HA LYS A 116 -10.297 -10.150 -5.917 1.00 1.82 H new ATOM 0 HB2 LYS A 116 -7.798 -11.537 -4.868 1.00 2.03 H new ATOM 0 HB3 LYS A 116 -8.404 -11.544 -6.512 1.00 2.03 H new ATOM 0 HG2 LYS A 116 -7.882 -9.111 -6.698 1.00 2.25 H new ATOM 0 HG3 LYS A 116 -7.241 -9.135 -5.068 1.00 2.25 H new ATOM 0 HD2 LYS A 116 -5.700 -11.056 -5.873 1.00 2.52 H new ATOM 0 HD3 LYS A 116 -6.192 -10.626 -7.499 1.00 2.52 H new ATOM 0 HE2 LYS A 116 -5.379 -8.294 -7.112 1.00 3.01 H new ATOM 0 HE3 LYS A 116 -4.853 -8.756 -5.505 1.00 3.01 H new ATOM 0 HZ1 LYS A 116 -2.945 -9.347 -6.435 1.00 3.60 H new ATOM 0 HZ2 LYS A 116 -3.750 -10.645 -7.178 1.00 3.60 H new ATOM 0 HZ3 LYS A 116 -3.563 -9.174 -8.007 1.00 3.60 H new ATOM 1828 N ALA A 117 -11.323 -11.666 -3.670 1.00 2.34 N ATOM 1829 CA ALA A 117 -11.920 -12.793 -2.950 1.00 2.83 C ATOM 1830 C ALA A 117 -10.837 -13.550 -2.180 1.00 3.08 C ATOM 1831 O ALA A 117 -10.922 -14.762 -1.987 1.00 3.56 O ATOM 1832 CB ALA A 117 -12.652 -13.724 -3.912 1.00 3.37 C ATOM 0 H ALA A 117 -11.723 -10.759 -3.429 1.00 2.34 H new ATOM 0 HA ALA A 117 -12.651 -12.407 -2.239 1.00 2.83 H new ATOM 0 HB1 ALA A 117 -13.087 -14.554 -3.355 1.00 3.37 H new ATOM 0 HB2 ALA A 117 -13.444 -13.173 -4.420 1.00 3.37 H new ATOM 0 HB3 ALA A 117 -11.949 -14.111 -4.649 1.00 3.37 H new ATOM 1838 N VAL A 118 -9.848 -12.790 -1.710 1.00 3.17 N ATOM 1839 CA VAL A 118 -8.635 -13.343 -1.114 1.00 3.87 C ATOM 1840 C VAL A 118 -8.903 -14.072 0.206 1.00 4.45 C ATOM 1841 O VAL A 118 -8.185 -15.002 0.570 1.00 4.99 O ATOM 1842 CB VAL A 118 -7.575 -12.229 -0.903 1.00 4.04 C ATOM 1843 CG1 VAL A 118 -8.098 -11.141 0.024 1.00 4.19 C ATOM 1844 CG2 VAL A 118 -6.267 -12.807 -0.384 1.00 4.70 C ATOM 0 H VAL A 118 -9.867 -11.770 -1.733 1.00 3.17 H new ATOM 0 HA VAL A 118 -8.250 -14.082 -1.817 1.00 3.87 H new ATOM 0 HB VAL A 118 -7.376 -11.773 -1.873 1.00 4.04 H new ATOM 0 HG11 VAL A 118 -7.334 -10.375 0.153 1.00 4.19 H new ATOM 0 HG12 VAL A 118 -8.992 -10.693 -0.409 1.00 4.19 H new ATOM 0 HG13 VAL A 118 -8.343 -11.576 0.993 1.00 4.19 H new ATOM 0 HG21 VAL A 118 -5.544 -12.003 -0.246 1.00 4.70 H new ATOM 0 HG22 VAL A 118 -6.442 -13.305 0.569 1.00 4.70 H new ATOM 0 HG23 VAL A 118 -5.877 -13.527 -1.103 1.00 4.70 H new ATOM 1854 N GLN A 119 -9.939 -13.662 0.912 1.00 4.69 N ATOM 1855 CA GLN A 119 -10.254 -14.268 2.200 1.00 5.46 C ATOM 1856 C GLN A 119 -11.755 -14.487 2.343 1.00 5.68 C ATOM 1857 O GLN A 119 -12.188 -15.522 2.856 1.00 6.25 O ATOM 1858 CB GLN A 119 -9.731 -13.398 3.347 1.00 6.13 C ATOM 1859 CG GLN A 119 -9.825 -14.075 4.707 1.00 6.63 C ATOM 1860 CD GLN A 119 -9.192 -13.261 5.821 1.00 7.30 C ATOM 1861 OE1 GLN A 119 -8.177 -12.479 5.486 1.00 7.63 O flip ATOM 1862 NE2 GLN A 119 -9.606 -13.342 6.976 1.00 7.77 N flip ATOM 0 H GLN A 119 -10.575 -12.919 0.623 1.00 4.69 H new ATOM 0 HA GLN A 119 -9.760 -15.238 2.247 1.00 5.46 H new ATOM 0 HB2 GLN A 119 -8.691 -13.136 3.150 1.00 6.13 H new ATOM 0 HB3 GLN A 119 -10.295 -12.466 3.373 1.00 6.13 H new ATOM 0 HG2 GLN A 119 -10.873 -14.254 4.946 1.00 6.63 H new ATOM 0 HG3 GLN A 119 -9.339 -15.049 4.656 1.00 6.63 H new ATOM 0 HE21 GLN A 119 -10.391 -13.956 7.195 1.00 7.77 H new ATOM 0 HE22 GLN A 119 -9.165 -12.795 7.715 1.00 7.77 H new ATOM 1871 N GLN A 120 -12.539 -13.508 1.877 1.00 5.58 N ATOM 1872 CA GLN A 120 -14.001 -13.597 1.900 1.00 6.13 C ATOM 1873 C GLN A 120 -14.511 -13.616 3.340 1.00 6.54 C ATOM 1874 O GLN A 120 -13.773 -13.268 4.266 1.00 6.55 O ATOM 1875 CB GLN A 120 -14.465 -14.847 1.141 1.00 6.11 C ATOM 1876 CG GLN A 120 -13.912 -14.928 -0.275 1.00 5.63 C ATOM 1877 CD GLN A 120 -14.124 -16.284 -0.923 1.00 5.87 C ATOM 1878 OE1 GLN A 120 -15.103 -16.978 -0.641 1.00 6.60 O ATOM 1879 NE2 GLN A 120 -13.200 -16.673 -1.788 1.00 5.58 N ATOM 0 H GLN A 120 -12.181 -12.640 1.477 1.00 5.58 H new ATOM 0 HA GLN A 120 -14.416 -12.719 1.405 1.00 6.13 H new ATOM 0 HB2 GLN A 120 -14.160 -15.735 1.695 1.00 6.11 H new ATOM 0 HB3 GLN A 120 -15.554 -14.856 1.100 1.00 6.11 H new ATOM 0 HG2 GLN A 120 -14.386 -14.162 -0.888 1.00 5.63 H new ATOM 0 HG3 GLN A 120 -12.845 -14.705 -0.255 1.00 5.63 H new ATOM 0 HE21 GLN A 120 -12.405 -16.067 -1.992 1.00 5.58 H new ATOM 0 HE22 GLN A 120 -13.283 -17.579 -2.250 1.00 5.58 H new ATOM 1888 N SER A 121 -15.780 -13.990 3.515 1.00 7.13 N ATOM 1889 CA SER A 121 -16.384 -14.112 4.843 1.00 7.72 C ATOM 1890 C SER A 121 -16.427 -12.758 5.554 1.00 8.45 C ATOM 1891 O SER A 121 -16.309 -12.678 6.778 1.00 8.94 O ATOM 1892 CB SER A 121 -15.606 -15.133 5.682 1.00 8.20 C ATOM 1893 OG SER A 121 -15.494 -16.370 4.995 1.00 8.19 O ATOM 0 H SER A 121 -16.413 -14.215 2.748 1.00 7.13 H new ATOM 0 HA SER A 121 -17.410 -14.460 4.723 1.00 7.72 H new ATOM 0 HB2 SER A 121 -14.612 -14.745 5.906 1.00 8.20 H new ATOM 0 HB3 SER A 121 -16.110 -15.286 6.636 1.00 8.20 H new ATOM 0 HG SER A 121 -14.993 -17.006 5.547 1.00 8.19 H new ATOM 1899 N MET A 122 -16.623 -11.698 4.778 1.00 8.75 N ATOM 1900 CA MET A 122 -16.675 -10.349 5.329 1.00 9.65 C ATOM 1901 C MET A 122 -17.977 -10.107 6.084 1.00 10.25 C ATOM 1902 O MET A 122 -19.061 -10.115 5.494 1.00 10.41 O ATOM 1903 CB MET A 122 -16.509 -9.303 4.225 1.00 10.15 C ATOM 1904 CG MET A 122 -15.070 -9.095 3.788 1.00 10.49 C ATOM 1905 SD MET A 122 -14.003 -8.549 5.140 1.00 11.41 S ATOM 1906 CE MET A 122 -14.859 -7.075 5.689 1.00 12.10 C ATOM 0 H MET A 122 -16.748 -11.746 3.767 1.00 8.75 H new ATOM 0 HA MET A 122 -15.848 -10.253 6.033 1.00 9.65 H new ATOM 0 HB2 MET A 122 -17.101 -9.604 3.361 1.00 10.15 H new ATOM 0 HB3 MET A 122 -16.914 -8.353 4.574 1.00 10.15 H new ATOM 0 HG2 MET A 122 -14.681 -10.027 3.377 1.00 10.49 H new ATOM 0 HG3 MET A 122 -15.041 -8.357 2.987 1.00 10.49 H new ATOM 0 HE1 MET A 122 -14.136 -6.358 6.078 1.00 12.10 H new ATOM 0 HE2 MET A 122 -15.394 -6.631 4.850 1.00 12.10 H new ATOM 0 HE3 MET A 122 -15.569 -7.337 6.474 1.00 12.10 H new ATOM 1916 N LEU A 123 -17.860 -9.899 7.389 1.00 10.78 N ATOM 1917 CA LEU A 123 -19.009 -9.590 8.234 1.00 11.56 C ATOM 1918 C LEU A 123 -19.193 -8.081 8.362 1.00 12.24 C ATOM 1919 O LEU A 123 -18.528 -7.310 7.671 1.00 12.56 O ATOM 1920 CB LEU A 123 -18.848 -10.243 9.620 1.00 11.96 C ATOM 1921 CG LEU A 123 -17.447 -10.171 10.246 1.00 12.24 C ATOM 1922 CD1 LEU A 123 -17.080 -8.750 10.647 1.00 12.82 C ATOM 1923 CD2 LEU A 123 -17.363 -11.091 11.448 1.00 12.37 C ATOM 0 H LEU A 123 -16.973 -9.939 7.890 1.00 10.78 H new ATOM 0 HA LEU A 123 -19.903 -10.000 7.765 1.00 11.56 H new ATOM 0 HB2 LEU A 123 -19.554 -9.772 10.304 1.00 11.96 H new ATOM 0 HB3 LEU A 123 -19.134 -11.292 9.540 1.00 11.96 H new ATOM 0 HG LEU A 123 -16.731 -10.497 9.491 1.00 12.24 H new ATOM 0 HD11 LEU A 123 -16.082 -8.742 11.086 1.00 12.82 H new ATOM 0 HD12 LEU A 123 -17.094 -8.108 9.766 1.00 12.82 H new ATOM 0 HD13 LEU A 123 -17.800 -8.380 11.377 1.00 12.82 H new ATOM 0 HD21 LEU A 123 -16.365 -11.031 11.883 1.00 12.37 H new ATOM 0 HD22 LEU A 123 -18.101 -10.788 12.190 1.00 12.37 H new ATOM 0 HD23 LEU A 123 -17.562 -12.116 11.136 1.00 12.37 H new ATOM 1935 N SER A 124 -20.097 -7.661 9.232 1.00 12.64 N ATOM 1936 CA SER A 124 -20.343 -6.246 9.445 1.00 13.47 C ATOM 1937 C SER A 124 -19.661 -5.772 10.728 1.00 14.22 C ATOM 1938 O SER A 124 -20.261 -5.920 11.813 1.00 14.64 O ATOM 1939 CB SER A 124 -21.847 -5.982 9.513 1.00 13.50 C ATOM 1940 OG SER A 124 -22.502 -6.536 8.383 1.00 13.01 O ATOM 1941 OXT SER A 124 -18.522 -5.264 10.650 1.00 14.49 O ATOM 0 H SER A 124 -20.672 -8.281 9.802 1.00 12.64 H new ATOM 0 HA SER A 124 -19.925 -5.688 8.608 1.00 13.47 H new ATOM 0 HB2 SER A 124 -22.257 -6.414 10.426 1.00 13.50 H new ATOM 0 HB3 SER A 124 -22.032 -4.909 9.557 1.00 13.50 H new ATOM 0 HG SER A 124 -23.464 -6.359 8.443 1.00 13.01 H new TER 1947 SER A 124