USER MOD reduce.3.24.130724 H: found=0, std=0, add=904, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 903 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 146:sc= 0.0265 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ -126:sc= 0 (180deg=-1.45) USER MOD Single : A 4 GLN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 7 SER OG : rot 180:sc= 0.0269 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.163 X(o=-0.16,f=-0.21) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= -1.47 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -160:sc= -0.121 (180deg=-0.792) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -141:sc= 0.551 (180deg=-0.0632) USER MOD Single : A 43 HIS : no HD1:sc= -2.2 X(o=-2.2,f=-2.5!) USER MOD Single : A 44 SER OG : rot 90:sc= 0.891 USER MOD Single : A 46 SER OG : rot 93:sc= -0.624 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot -121:sc= 1.02 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -0.187 X(o=-0.19,f=-0.19) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 SER OG : rot -35:sc= 0.332 USER MOD Single : A 72 LYS NZ :NH3+ 151:sc= -0.15 (180deg=-0.874) USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.538 USER MOD Single : A 76 THR OG1 : rot 108:sc= 0.332 USER MOD Single : A 78 GLN : amide:sc= -1.96! C(o=-2!,f=-1.8!) USER MOD Single : A 81 LYS NZ :NH3+ -135:sc= 0.342 (180deg=-0.135) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN :FLIP amide:sc= -0.892 F(o=-2.8!,f=-0.89) USER MOD Single : A 85 LYS NZ :NH3+ 154:sc= -0.137 (180deg=-0.72) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 ASN : amide:sc= -0.919 K(o=-0.92,f=-10!) USER MOD Single : A 94 LYS NZ :NH3+ 145:sc= 0.189 (180deg=-0.00232) USER MOD Single : A 96 LYS NZ :NH3+ -168:sc= -1.21 (180deg=-2.14!) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 ASN : amide:sc= -0.0345 K(o=-0.035,f=-1.6!) USER MOD Single : B 61 THR OG1 : rot 180:sc= 0 USER MOD Single : B 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 66 SER OG : rot 180:sc= 0 USER MOD Single : B 68 ASN :FLIP amide:sc= -0.119 F(o=-2.4!,f=-0.12) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.996 -1.537 10.857 1.00 1.04 N ATOM 2 CA MET A 1 -7.641 -1.592 11.475 1.00 0.78 C ATOM 3 C MET A 1 -6.589 -1.717 10.370 1.00 0.57 C ATOM 4 O MET A 1 -6.798 -2.371 9.369 1.00 0.63 O ATOM 5 CB MET A 1 -7.556 -2.801 12.415 1.00 0.79 C ATOM 6 CG MET A 1 -6.216 -2.796 13.162 1.00 1.45 C ATOM 7 SD MET A 1 -6.199 -1.440 14.364 1.00 2.32 S ATOM 8 CE MET A 1 -4.481 -1.625 14.908 1.00 2.88 C ATOM 0 H1 MET A 1 -9.681 -2.011 11.480 1.00 1.04 H new ATOM 0 H2 MET A 1 -9.277 -0.545 10.724 1.00 1.04 H new ATOM 0 H3 MET A 1 -8.977 -2.017 9.935 1.00 1.04 H new ATOM 0 HA MET A 1 -7.459 -0.682 12.047 1.00 0.78 H new ATOM 0 HB2 MET A 1 -8.379 -2.775 13.129 1.00 0.79 H new ATOM 0 HB3 MET A 1 -7.659 -3.723 11.844 1.00 0.79 H new ATOM 0 HG2 MET A 1 -6.067 -3.749 13.670 1.00 1.45 H new ATOM 0 HG3 MET A 1 -5.394 -2.680 12.455 1.00 1.45 H new ATOM 0 HE1 MET A 1 -4.256 -0.873 15.664 1.00 2.88 H new ATOM 0 HE2 MET A 1 -4.339 -2.619 15.332 1.00 2.88 H new ATOM 0 HE3 MET A 1 -3.814 -1.495 14.056 1.00 2.88 H new ATOM 20 N VAL A 2 -5.454 -1.087 10.551 1.00 0.41 N ATOM 21 CA VAL A 2 -4.373 -1.149 9.517 1.00 0.28 C ATOM 22 C VAL A 2 -3.338 -2.199 9.924 1.00 0.23 C ATOM 23 O VAL A 2 -3.241 -2.568 11.079 1.00 0.24 O ATOM 24 CB VAL A 2 -3.696 0.221 9.429 1.00 0.33 C ATOM 25 CG1 VAL A 2 -2.519 0.159 8.450 1.00 0.45 C ATOM 26 CG2 VAL A 2 -4.713 1.252 8.936 1.00 0.40 C ATOM 0 H VAL A 2 -5.228 -0.529 11.375 1.00 0.41 H new ATOM 0 HA VAL A 2 -4.800 -1.418 8.551 1.00 0.28 H new ATOM 0 HB VAL A 2 -3.327 0.506 10.414 1.00 0.33 H new ATOM 0 HG11 VAL A 2 -2.042 1.137 8.392 1.00 0.45 H new ATOM 0 HG12 VAL A 2 -1.795 -0.578 8.798 1.00 0.45 H new ATOM 0 HG13 VAL A 2 -2.882 -0.127 7.463 1.00 0.45 H new ATOM 0 HG21 VAL A 2 -4.237 2.230 8.871 1.00 0.40 H new ATOM 0 HG22 VAL A 2 -5.079 0.960 7.951 1.00 0.40 H new ATOM 0 HG23 VAL A 2 -5.549 1.301 9.634 1.00 0.40 H new ATOM 36 N LYS A 3 -2.566 -2.689 8.982 1.00 0.20 N ATOM 37 CA LYS A 3 -1.532 -3.720 9.303 1.00 0.18 C ATOM 38 C LYS A 3 -0.197 -3.282 8.709 1.00 0.15 C ATOM 39 O LYS A 3 -0.085 -3.036 7.524 1.00 0.16 O ATOM 40 CB LYS A 3 -1.951 -5.061 8.694 1.00 0.19 C ATOM 41 CG LYS A 3 -0.898 -6.124 9.018 1.00 0.20 C ATOM 42 CD LYS A 3 -1.471 -7.518 8.757 1.00 0.81 C ATOM 43 CE LYS A 3 -0.412 -8.572 9.087 1.00 1.03 C ATOM 44 NZ LYS A 3 -0.960 -9.930 8.806 1.00 1.67 N ATOM 0 H LYS A 3 -2.610 -2.416 8.000 1.00 0.20 H new ATOM 0 HA LYS A 3 -1.435 -3.829 10.383 1.00 0.18 H new ATOM 0 HB2 LYS A 3 -2.921 -5.364 9.088 1.00 0.19 H new ATOM 0 HB3 LYS A 3 -2.063 -4.962 7.614 1.00 0.19 H new ATOM 0 HG2 LYS A 3 -0.009 -5.966 8.407 1.00 0.20 H new ATOM 0 HG3 LYS A 3 -0.589 -6.037 10.060 1.00 0.20 H new ATOM 0 HD2 LYS A 3 -2.361 -7.677 9.366 1.00 0.81 H new ATOM 0 HD3 LYS A 3 -1.777 -7.608 7.715 1.00 0.81 H new ATOM 0 HE2 LYS A 3 0.486 -8.400 8.493 1.00 1.03 H new ATOM 0 HE3 LYS A 3 -0.121 -8.495 10.134 1.00 1.03 H new ATOM 0 HZ1 LYS A 3 -0.865 -10.525 9.654 1.00 1.67 H new ATOM 0 HZ2 LYS A 3 -1.965 -9.853 8.549 1.00 1.67 H new ATOM 0 HZ3 LYS A 3 -0.433 -10.361 8.019 1.00 1.67 H new ATOM 58 N GLN A 4 0.818 -3.191 9.525 1.00 0.15 N ATOM 59 CA GLN A 4 2.155 -2.773 9.017 1.00 0.14 C ATOM 60 C GLN A 4 2.958 -4.025 8.694 1.00 0.12 C ATOM 61 O GLN A 4 3.150 -4.882 9.534 1.00 0.13 O ATOM 62 CB GLN A 4 2.880 -1.963 10.097 1.00 0.16 C ATOM 63 CG GLN A 4 4.237 -1.483 9.565 1.00 0.17 C ATOM 64 CD GLN A 4 4.967 -0.710 10.663 1.00 0.22 C ATOM 65 OE1 GLN A 4 4.874 -1.049 11.826 1.00 0.29 O ATOM 66 NE2 GLN A 4 5.695 0.324 10.343 1.00 0.31 N ATOM 0 H GLN A 4 0.778 -3.389 10.525 1.00 0.15 H new ATOM 0 HA GLN A 4 2.044 -2.158 8.124 1.00 0.14 H new ATOM 0 HB2 GLN A 4 2.272 -1.108 10.392 1.00 0.16 H new ATOM 0 HB3 GLN A 4 3.024 -2.575 10.988 1.00 0.16 H new ATOM 0 HG2 GLN A 4 4.837 -2.335 9.244 1.00 0.17 H new ATOM 0 HG3 GLN A 4 4.093 -0.847 8.691 1.00 0.17 H new ATOM 0 HE21 GLN A 4 5.774 0.610 9.367 1.00 0.31 H new ATOM 0 HE22 GLN A 4 6.185 0.847 11.069 1.00 0.31 H new ATOM 75 N ILE A 5 3.431 -4.139 7.486 1.00 0.10 N ATOM 76 CA ILE A 5 4.223 -5.339 7.105 1.00 0.10 C ATOM 77 C ILE A 5 5.706 -4.975 7.151 1.00 0.10 C ATOM 78 O ILE A 5 6.178 -4.182 6.360 1.00 0.11 O ATOM 79 CB ILE A 5 3.867 -5.721 5.669 1.00 0.11 C ATOM 80 CG1 ILE A 5 2.341 -5.802 5.480 1.00 0.13 C ATOM 81 CG2 ILE A 5 4.486 -7.072 5.341 1.00 0.15 C ATOM 82 CD1 ILE A 5 1.727 -6.887 6.376 1.00 0.19 C ATOM 0 H ILE A 5 3.303 -3.451 6.744 1.00 0.10 H new ATOM 0 HA ILE A 5 4.010 -6.165 7.784 1.00 0.10 H new ATOM 0 HB ILE A 5 4.257 -4.954 5.000 1.00 0.11 H new ATOM 0 HG12 ILE A 5 1.891 -4.837 5.713 1.00 0.13 H new ATOM 0 HG13 ILE A 5 2.112 -6.016 4.436 1.00 0.13 H new ATOM 0 HG21 ILE A 5 4.234 -7.349 4.317 1.00 0.15 H new ATOM 0 HG22 ILE A 5 5.569 -7.011 5.445 1.00 0.15 H new ATOM 0 HG23 ILE A 5 4.098 -7.826 6.026 1.00 0.15 H new ATOM 0 HD11 ILE A 5 0.649 -6.920 6.220 1.00 0.19 H new ATOM 0 HD12 ILE A 5 2.160 -7.855 6.124 1.00 0.19 H new ATOM 0 HD13 ILE A 5 1.936 -6.657 7.421 1.00 0.19 H new ATOM 94 N GLU A 6 6.450 -5.541 8.063 1.00 0.11 N ATOM 95 CA GLU A 6 7.901 -5.220 8.143 1.00 0.13 C ATOM 96 C GLU A 6 8.707 -6.297 7.415 1.00 0.12 C ATOM 97 O GLU A 6 9.918 -6.229 7.339 1.00 0.13 O ATOM 98 CB GLU A 6 8.326 -5.182 9.611 1.00 0.15 C ATOM 99 CG GLU A 6 7.518 -4.109 10.356 1.00 0.17 C ATOM 100 CD GLU A 6 6.153 -4.666 10.773 1.00 1.45 C ATOM 101 OE1 GLU A 6 5.882 -5.816 10.468 1.00 2.25 O ATOM 102 OE2 GLU A 6 5.406 -3.934 11.398 1.00 2.25 O ATOM 0 H GLU A 6 6.114 -6.211 8.755 1.00 0.11 H new ATOM 0 HA GLU A 6 8.085 -4.252 7.677 1.00 0.13 H new ATOM 0 HB2 GLU A 6 8.166 -6.157 10.071 1.00 0.15 H new ATOM 0 HB3 GLU A 6 9.392 -4.966 9.686 1.00 0.15 H new ATOM 0 HG2 GLU A 6 8.067 -3.777 11.237 1.00 0.17 H new ATOM 0 HG3 GLU A 6 7.383 -3.237 9.717 1.00 0.17 H new ATOM 109 N SER A 7 8.052 -7.287 6.865 1.00 0.12 N ATOM 110 CA SER A 7 8.809 -8.358 6.138 1.00 0.13 C ATOM 111 C SER A 7 7.934 -9.040 5.095 1.00 0.12 C ATOM 112 O SER A 7 6.720 -9.030 5.171 1.00 0.12 O ATOM 113 CB SER A 7 9.279 -9.421 7.130 1.00 0.15 C ATOM 114 OG SER A 7 8.148 -9.996 7.772 1.00 0.15 O ATOM 0 H SER A 7 7.039 -7.403 6.885 1.00 0.12 H new ATOM 0 HA SER A 7 9.658 -7.886 5.644 1.00 0.13 H new ATOM 0 HB2 SER A 7 9.849 -10.192 6.612 1.00 0.15 H new ATOM 0 HB3 SER A 7 9.945 -8.976 7.870 1.00 0.15 H new ATOM 0 HG SER A 7 8.445 -10.680 8.408 1.00 0.15 H new ATOM 120 N LYS A 8 8.558 -9.668 4.136 1.00 0.14 N ATOM 121 CA LYS A 8 7.794 -10.399 3.094 1.00 0.15 C ATOM 122 C LYS A 8 7.034 -11.530 3.772 1.00 0.15 C ATOM 123 O LYS A 8 5.958 -11.916 3.362 1.00 0.16 O ATOM 124 CB LYS A 8 8.761 -10.996 2.074 1.00 0.18 C ATOM 125 CG LYS A 8 7.970 -11.506 0.868 1.00 0.21 C ATOM 126 CD LYS A 8 8.820 -12.499 0.075 1.00 0.43 C ATOM 127 CE LYS A 8 10.105 -11.815 -0.385 1.00 0.80 C ATOM 128 NZ LYS A 8 10.747 -12.635 -1.450 1.00 1.65 N ATOM 0 H LYS A 8 9.572 -9.704 4.032 1.00 0.14 H new ATOM 0 HA LYS A 8 7.108 -9.720 2.587 1.00 0.15 H new ATOM 0 HB2 LYS A 8 9.484 -10.244 1.758 1.00 0.18 H new ATOM 0 HB3 LYS A 8 9.326 -11.812 2.525 1.00 0.18 H new ATOM 0 HG2 LYS A 8 7.050 -11.986 1.201 1.00 0.21 H new ATOM 0 HG3 LYS A 8 7.681 -10.670 0.231 1.00 0.21 H new ATOM 0 HD2 LYS A 8 9.057 -13.365 0.693 1.00 0.43 H new ATOM 0 HD3 LYS A 8 8.262 -12.865 -0.787 1.00 0.43 H new ATOM 0 HE2 LYS A 8 9.884 -10.817 -0.763 1.00 0.80 H new ATOM 0 HE3 LYS A 8 10.787 -11.693 0.457 1.00 0.80 H new ATOM 0 HZ1 LYS A 8 11.623 -12.171 -1.765 1.00 1.65 H new ATOM 0 HZ2 LYS A 8 10.971 -13.578 -1.074 1.00 1.65 H new ATOM 0 HZ3 LYS A 8 10.096 -12.729 -2.256 1.00 1.65 H new ATOM 142 N THR A 9 7.604 -12.070 4.812 1.00 0.15 N ATOM 143 CA THR A 9 6.934 -13.187 5.518 1.00 0.17 C ATOM 144 C THR A 9 5.560 -12.722 5.980 1.00 0.16 C ATOM 145 O THR A 9 4.562 -13.380 5.762 1.00 0.17 O ATOM 146 CB THR A 9 7.776 -13.596 6.729 1.00 0.19 C ATOM 147 OG1 THR A 9 9.077 -13.968 6.292 1.00 0.22 O ATOM 148 CG2 THR A 9 7.117 -14.776 7.441 1.00 0.23 C ATOM 0 H THR A 9 8.503 -11.784 5.200 1.00 0.15 H new ATOM 0 HA THR A 9 6.826 -14.042 4.851 1.00 0.17 H new ATOM 0 HB THR A 9 7.849 -12.757 7.421 1.00 0.19 H new ATOM 0 HG1 THR A 9 9.620 -14.229 7.065 1.00 0.22 H new ATOM 0 HG21 THR A 9 7.720 -15.064 8.302 1.00 0.23 H new ATOM 0 HG22 THR A 9 6.120 -14.489 7.775 1.00 0.23 H new ATOM 0 HG23 THR A 9 7.040 -15.619 6.754 1.00 0.23 H new ATOM 156 N ALA A 10 5.494 -11.584 6.599 1.00 0.15 N ATOM 157 CA ALA A 10 4.176 -11.069 7.045 1.00 0.15 C ATOM 158 C ALA A 10 3.356 -10.688 5.813 1.00 0.14 C ATOM 159 O ALA A 10 2.146 -10.773 5.814 1.00 0.15 O ATOM 160 CB ALA A 10 4.373 -9.852 7.956 1.00 0.17 C ATOM 0 H ALA A 10 6.293 -10.988 6.816 1.00 0.15 H new ATOM 0 HA ALA A 10 3.647 -11.836 7.610 1.00 0.15 H new ATOM 0 HB1 ALA A 10 3.401 -9.479 8.280 1.00 0.17 H new ATOM 0 HB2 ALA A 10 4.960 -10.141 8.828 1.00 0.17 H new ATOM 0 HB3 ALA A 10 4.898 -9.069 7.409 1.00 0.17 H new ATOM 166 N PHE A 11 4.003 -10.267 4.759 1.00 0.14 N ATOM 167 CA PHE A 11 3.247 -9.874 3.535 1.00 0.13 C ATOM 168 C PHE A 11 2.438 -11.067 3.046 1.00 0.14 C ATOM 169 O PHE A 11 1.286 -10.945 2.678 1.00 0.14 O ATOM 170 CB PHE A 11 4.243 -9.474 2.434 1.00 0.14 C ATOM 171 CG PHE A 11 3.504 -8.844 1.271 1.00 0.14 C ATOM 172 CD1 PHE A 11 2.863 -7.610 1.438 1.00 0.14 C ATOM 173 CD2 PHE A 11 3.472 -9.485 0.024 1.00 0.14 C ATOM 174 CE1 PHE A 11 2.187 -7.024 0.364 1.00 0.14 C ATOM 175 CE2 PHE A 11 2.796 -8.896 -1.051 1.00 0.14 C ATOM 176 CZ PHE A 11 2.153 -7.666 -0.880 1.00 0.14 C ATOM 0 H PHE A 11 5.017 -10.179 4.693 1.00 0.14 H new ATOM 0 HA PHE A 11 2.586 -9.039 3.765 1.00 0.13 H new ATOM 0 HB2 PHE A 11 4.976 -8.773 2.833 1.00 0.14 H new ATOM 0 HB3 PHE A 11 4.793 -10.351 2.094 1.00 0.14 H new ATOM 0 HD1 PHE A 11 2.891 -7.112 2.396 1.00 0.14 H new ATOM 0 HD2 PHE A 11 3.970 -10.434 -0.107 1.00 0.14 H new ATOM 0 HE1 PHE A 11 1.690 -6.074 0.494 1.00 0.14 H new ATOM 0 HE2 PHE A 11 2.771 -9.391 -2.011 1.00 0.14 H new ATOM 0 HZ PHE A 11 1.630 -7.211 -1.708 1.00 0.14 H new ATOM 186 N GLN A 12 3.039 -12.216 3.034 1.00 0.14 N ATOM 187 CA GLN A 12 2.320 -13.427 2.559 1.00 0.16 C ATOM 188 C GLN A 12 1.179 -13.756 3.528 1.00 0.15 C ATOM 189 O GLN A 12 0.079 -14.072 3.127 1.00 0.16 O ATOM 190 CB GLN A 12 3.314 -14.588 2.538 1.00 0.18 C ATOM 191 CG GLN A 12 4.422 -14.296 1.521 1.00 0.17 C ATOM 192 CD GLN A 12 3.828 -14.226 0.112 1.00 0.40 C ATOM 193 OE1 GLN A 12 3.828 -13.181 -0.509 1.00 1.12 O ATOM 194 NE2 GLN A 12 3.318 -15.303 -0.422 1.00 1.31 N ATOM 0 H GLN A 12 4.001 -12.372 3.333 1.00 0.14 H new ATOM 0 HA GLN A 12 1.907 -13.258 1.565 1.00 0.16 H new ATOM 0 HB2 GLN A 12 3.744 -14.730 3.529 1.00 0.18 H new ATOM 0 HB3 GLN A 12 2.802 -15.514 2.277 1.00 0.18 H new ATOM 0 HG2 GLN A 12 4.913 -13.354 1.765 1.00 0.17 H new ATOM 0 HG3 GLN A 12 5.184 -15.074 1.566 1.00 0.17 H new ATOM 0 HE21 GLN A 12 3.318 -16.180 0.099 1.00 1.31 H new ATOM 0 HE22 GLN A 12 2.920 -15.267 -1.360 1.00 1.31 H new ATOM 203 N GLU A 13 1.445 -13.669 4.802 1.00 0.16 N ATOM 204 CA GLU A 13 0.399 -13.961 5.831 1.00 0.17 C ATOM 205 C GLU A 13 -0.731 -12.931 5.748 1.00 0.15 C ATOM 206 O GLU A 13 -1.893 -13.254 5.901 1.00 0.16 O ATOM 207 CB GLU A 13 1.046 -13.924 7.225 1.00 0.19 C ATOM 208 CG GLU A 13 1.773 -15.248 7.509 1.00 0.28 C ATOM 209 CD GLU A 13 2.909 -15.452 6.503 1.00 0.95 C ATOM 210 OE1 GLU A 13 2.615 -15.701 5.346 1.00 1.67 O ATOM 211 OE2 GLU A 13 4.056 -15.371 6.912 1.00 1.77 O ATOM 0 H GLU A 13 2.354 -13.405 5.182 1.00 0.16 H new ATOM 0 HA GLU A 13 -0.024 -14.949 5.648 1.00 0.17 H new ATOM 0 HB2 GLU A 13 1.750 -13.094 7.285 1.00 0.19 H new ATOM 0 HB3 GLU A 13 0.283 -13.750 7.983 1.00 0.19 H new ATOM 0 HG2 GLU A 13 2.172 -15.242 8.523 1.00 0.28 H new ATOM 0 HG3 GLU A 13 1.069 -16.078 7.448 1.00 0.28 H new ATOM 218 N ALA A 14 -0.401 -11.690 5.534 1.00 0.15 N ATOM 219 CA ALA A 14 -1.457 -10.644 5.465 1.00 0.14 C ATOM 220 C ALA A 14 -2.327 -10.880 4.231 1.00 0.13 C ATOM 221 O ALA A 14 -3.534 -10.734 4.275 1.00 0.13 O ATOM 222 CB ALA A 14 -0.807 -9.259 5.392 1.00 0.15 C ATOM 0 H ALA A 14 0.553 -11.354 5.404 1.00 0.15 H new ATOM 0 HA ALA A 14 -2.080 -10.696 6.358 1.00 0.14 H new ATOM 0 HB1 ALA A 14 -1.583 -8.495 5.342 1.00 0.15 H new ATOM 0 HB2 ALA A 14 -0.195 -9.097 6.280 1.00 0.15 H new ATOM 0 HB3 ALA A 14 -0.179 -9.198 4.503 1.00 0.15 H new ATOM 228 N LEU A 15 -1.733 -11.257 3.130 1.00 0.12 N ATOM 229 CA LEU A 15 -2.544 -11.511 1.914 1.00 0.12 C ATOM 230 C LEU A 15 -3.529 -12.638 2.225 1.00 0.13 C ATOM 231 O LEU A 15 -4.675 -12.611 1.824 1.00 0.13 O ATOM 232 CB LEU A 15 -1.633 -11.936 0.758 1.00 0.13 C ATOM 233 CG LEU A 15 -0.783 -10.743 0.291 1.00 0.13 C ATOM 234 CD1 LEU A 15 0.370 -11.252 -0.588 1.00 0.17 C ATOM 235 CD2 LEU A 15 -1.640 -9.740 -0.506 1.00 0.17 C ATOM 0 H LEU A 15 -0.728 -11.398 3.024 1.00 0.12 H new ATOM 0 HA LEU A 15 -3.078 -10.605 1.626 1.00 0.12 H new ATOM 0 HB2 LEU A 15 -0.985 -12.752 1.077 1.00 0.13 H new ATOM 0 HB3 LEU A 15 -2.234 -12.311 -0.070 1.00 0.13 H new ATOM 0 HG LEU A 15 -0.383 -10.234 1.168 1.00 0.13 H new ATOM 0 HD11 LEU A 15 0.974 -10.408 -0.920 1.00 0.17 H new ATOM 0 HD12 LEU A 15 0.991 -11.938 -0.012 1.00 0.17 H new ATOM 0 HD13 LEU A 15 -0.036 -11.772 -1.456 1.00 0.17 H new ATOM 0 HD21 LEU A 15 -1.018 -8.904 -0.826 1.00 0.17 H new ATOM 0 HD22 LEU A 15 -2.061 -10.236 -1.381 1.00 0.17 H new ATOM 0 HD23 LEU A 15 -2.448 -9.370 0.125 1.00 0.17 H new ATOM 247 N ASP A 16 -3.077 -13.631 2.946 1.00 0.13 N ATOM 248 CA ASP A 16 -3.966 -14.774 3.298 1.00 0.15 C ATOM 249 C ASP A 16 -5.033 -14.325 4.297 1.00 0.15 C ATOM 250 O ASP A 16 -6.160 -14.779 4.264 1.00 0.16 O ATOM 251 CB ASP A 16 -3.133 -15.891 3.939 1.00 0.17 C ATOM 252 CG ASP A 16 -3.945 -17.189 3.953 1.00 0.19 C ATOM 253 OD1 ASP A 16 -5.034 -17.177 4.505 1.00 1.07 O ATOM 254 OD2 ASP A 16 -3.463 -18.173 3.417 1.00 1.07 O ATOM 0 H ASP A 16 -2.125 -13.698 3.307 1.00 0.13 H new ATOM 0 HA ASP A 16 -4.447 -15.136 2.389 1.00 0.15 H new ATOM 0 HB2 ASP A 16 -2.207 -16.035 3.382 1.00 0.17 H new ATOM 0 HB3 ASP A 16 -2.853 -15.613 4.955 1.00 0.17 H new ATOM 259 N ALA A 17 -4.673 -13.459 5.204 1.00 0.15 N ATOM 260 CA ALA A 17 -5.652 -12.997 6.229 1.00 0.16 C ATOM 261 C ALA A 17 -6.746 -12.161 5.565 1.00 0.15 C ATOM 262 O ALA A 17 -7.902 -12.231 5.931 1.00 0.17 O ATOM 263 CB ALA A 17 -4.924 -12.146 7.272 1.00 0.18 C ATOM 0 H ALA A 17 -3.741 -13.051 5.280 1.00 0.15 H new ATOM 0 HA ALA A 17 -6.107 -13.863 6.710 1.00 0.16 H new ATOM 0 HB1 ALA A 17 -5.635 -11.805 8.024 1.00 0.18 H new ATOM 0 HB2 ALA A 17 -4.147 -12.743 7.751 1.00 0.18 H new ATOM 0 HB3 ALA A 17 -4.470 -11.283 6.785 1.00 0.18 H new ATOM 269 N ALA A 18 -6.391 -11.372 4.592 1.00 0.14 N ATOM 270 CA ALA A 18 -7.407 -10.528 3.901 1.00 0.15 C ATOM 271 C ALA A 18 -8.443 -11.425 3.218 1.00 0.14 C ATOM 272 O ALA A 18 -9.601 -11.075 3.099 1.00 0.17 O ATOM 273 CB ALA A 18 -6.710 -9.660 2.854 1.00 0.15 C ATOM 0 H ALA A 18 -5.438 -11.274 4.243 1.00 0.14 H new ATOM 0 HA ALA A 18 -7.910 -9.891 4.629 1.00 0.15 H new ATOM 0 HB1 ALA A 18 -7.448 -9.040 2.345 1.00 0.15 H new ATOM 0 HB2 ALA A 18 -5.974 -9.021 3.342 1.00 0.15 H new ATOM 0 HB3 ALA A 18 -6.209 -10.299 2.127 1.00 0.15 H new ATOM 279 N GLY A 19 -8.035 -12.576 2.767 1.00 0.16 N ATOM 280 CA GLY A 19 -8.992 -13.499 2.089 1.00 0.20 C ATOM 281 C GLY A 19 -9.449 -12.895 0.758 1.00 0.16 C ATOM 282 O GLY A 19 -8.645 -12.547 -0.084 1.00 0.17 O ATOM 0 H GLY A 19 -7.078 -12.921 2.838 1.00 0.16 H new ATOM 0 HA2 GLY A 19 -8.517 -14.465 1.916 1.00 0.20 H new ATOM 0 HA3 GLY A 19 -9.854 -13.678 2.731 1.00 0.20 H new ATOM 286 N ASP A 20 -10.736 -12.778 0.553 1.00 0.15 N ATOM 287 CA ASP A 20 -11.247 -12.210 -0.732 1.00 0.14 C ATOM 288 C ASP A 20 -11.447 -10.693 -0.599 1.00 0.12 C ATOM 289 O ASP A 20 -11.958 -10.049 -1.493 1.00 0.13 O ATOM 290 CB ASP A 20 -12.578 -12.873 -1.091 1.00 0.15 C ATOM 291 CG ASP A 20 -12.373 -14.380 -1.278 1.00 0.18 C ATOM 292 OD1 ASP A 20 -11.371 -14.755 -1.867 1.00 1.07 O ATOM 293 OD2 ASP A 20 -13.224 -15.134 -0.836 1.00 1.07 O ATOM 0 H ASP A 20 -11.457 -13.052 1.221 1.00 0.15 H new ATOM 0 HA ASP A 20 -10.518 -12.403 -1.519 1.00 0.14 H new ATOM 0 HB2 ASP A 20 -13.309 -12.691 -0.304 1.00 0.15 H new ATOM 0 HB3 ASP A 20 -12.978 -12.435 -2.005 1.00 0.15 H new ATOM 298 N LYS A 21 -11.053 -10.112 0.506 1.00 0.12 N ATOM 299 CA LYS A 21 -11.230 -8.636 0.669 1.00 0.12 C ATOM 300 C LYS A 21 -10.166 -7.902 -0.147 1.00 0.10 C ATOM 301 O LYS A 21 -9.068 -8.392 -0.333 1.00 0.11 O ATOM 302 CB LYS A 21 -11.065 -8.250 2.142 1.00 0.15 C ATOM 303 CG LYS A 21 -12.224 -8.811 2.976 1.00 0.21 C ATOM 304 CD LYS A 21 -12.344 -8.020 4.284 1.00 0.31 C ATOM 305 CE LYS A 21 -13.170 -8.813 5.293 1.00 0.80 C ATOM 306 NZ LYS A 21 -13.384 -7.988 6.513 1.00 1.50 N ATOM 0 H LYS A 21 -10.620 -10.590 1.296 1.00 0.12 H new ATOM 0 HA LYS A 21 -12.227 -8.361 0.324 1.00 0.12 H new ATOM 0 HB2 LYS A 21 -10.117 -8.633 2.521 1.00 0.15 H new ATOM 0 HB3 LYS A 21 -11.031 -7.165 2.238 1.00 0.15 H new ATOM 0 HG2 LYS A 21 -13.155 -8.747 2.413 1.00 0.21 H new ATOM 0 HG3 LYS A 21 -12.054 -9.866 3.191 1.00 0.21 H new ATOM 0 HD2 LYS A 21 -11.353 -7.818 4.690 1.00 0.31 H new ATOM 0 HD3 LYS A 21 -12.813 -7.055 4.094 1.00 0.31 H new ATOM 0 HE2 LYS A 21 -14.129 -9.091 4.856 1.00 0.80 H new ATOM 0 HE3 LYS A 21 -12.657 -9.739 5.552 1.00 0.80 H new ATOM 0 HZ1 LYS A 21 -13.947 -8.527 7.202 1.00 1.50 H new ATOM 0 HZ2 LYS A 21 -12.464 -7.744 6.933 1.00 1.50 H new ATOM 0 HZ3 LYS A 21 -13.891 -7.116 6.258 1.00 1.50 H new ATOM 320 N LEU A 22 -10.472 -6.729 -0.635 1.00 0.11 N ATOM 321 CA LEU A 22 -9.468 -5.983 -1.433 1.00 0.12 C ATOM 322 C LEU A 22 -8.247 -5.744 -0.533 1.00 0.12 C ATOM 323 O LEU A 22 -8.359 -5.733 0.677 1.00 0.14 O ATOM 324 CB LEU A 22 -10.091 -4.643 -1.885 1.00 0.15 C ATOM 325 CG LEU A 22 -9.703 -4.285 -3.334 1.00 0.29 C ATOM 326 CD1 LEU A 22 -10.227 -2.867 -3.680 1.00 0.31 C ATOM 327 CD2 LEU A 22 -8.174 -4.328 -3.515 1.00 0.47 C ATOM 0 H LEU A 22 -11.370 -6.261 -0.514 1.00 0.11 H new ATOM 0 HA LEU A 22 -9.164 -6.538 -2.321 1.00 0.12 H new ATOM 0 HB2 LEU A 22 -11.176 -4.702 -1.805 1.00 0.15 H new ATOM 0 HB3 LEU A 22 -9.765 -3.847 -1.215 1.00 0.15 H new ATOM 0 HG LEU A 22 -10.154 -5.017 -4.004 1.00 0.29 H new ATOM 0 HD11 LEU A 22 -9.951 -2.617 -4.704 1.00 0.31 H new ATOM 0 HD12 LEU A 22 -11.312 -2.846 -3.581 1.00 0.31 H new ATOM 0 HD13 LEU A 22 -9.786 -2.140 -2.998 1.00 0.31 H new ATOM 0 HD21 LEU A 22 -7.922 -4.072 -4.544 1.00 0.47 H new ATOM 0 HD22 LEU A 22 -7.707 -3.612 -2.839 1.00 0.47 H new ATOM 0 HD23 LEU A 22 -7.809 -5.330 -3.290 1.00 0.47 H new ATOM 339 N VAL A 23 -7.086 -5.559 -1.101 1.00 0.11 N ATOM 340 CA VAL A 23 -5.871 -5.330 -0.276 1.00 0.11 C ATOM 341 C VAL A 23 -4.975 -4.319 -0.980 1.00 0.11 C ATOM 342 O VAL A 23 -4.409 -4.597 -2.017 1.00 0.17 O ATOM 343 CB VAL A 23 -5.106 -6.644 -0.102 1.00 0.11 C ATOM 344 CG1 VAL A 23 -3.856 -6.395 0.744 1.00 0.16 C ATOM 345 CG2 VAL A 23 -5.996 -7.673 0.595 1.00 0.12 C ATOM 0 H VAL A 23 -6.929 -5.557 -2.109 1.00 0.11 H new ATOM 0 HA VAL A 23 -6.164 -4.952 0.703 1.00 0.11 H new ATOM 0 HB VAL A 23 -4.816 -7.025 -1.081 1.00 0.11 H new ATOM 0 HG11 VAL A 23 -3.309 -7.330 0.869 1.00 0.16 H new ATOM 0 HG12 VAL A 23 -3.218 -5.666 0.245 1.00 0.16 H new ATOM 0 HG13 VAL A 23 -4.149 -6.012 1.722 1.00 0.16 H new ATOM 0 HG21 VAL A 23 -5.447 -8.607 0.716 1.00 0.12 H new ATOM 0 HG22 VAL A 23 -6.291 -7.295 1.574 1.00 0.12 H new ATOM 0 HG23 VAL A 23 -6.886 -7.852 -0.008 1.00 0.12 H new ATOM 355 N VAL A 24 -4.840 -3.144 -0.426 1.00 0.09 N ATOM 356 CA VAL A 24 -3.974 -2.106 -1.057 1.00 0.09 C ATOM 357 C VAL A 24 -2.642 -2.089 -0.311 1.00 0.09 C ATOM 358 O VAL A 24 -2.610 -2.254 0.892 1.00 0.10 O ATOM 359 CB VAL A 24 -4.640 -0.730 -0.935 1.00 0.11 C ATOM 360 CG1 VAL A 24 -3.834 0.307 -1.723 1.00 0.12 C ATOM 361 CG2 VAL A 24 -6.061 -0.796 -1.494 1.00 0.14 C ATOM 0 H VAL A 24 -5.295 -2.857 0.441 1.00 0.09 H new ATOM 0 HA VAL A 24 -3.822 -2.332 -2.112 1.00 0.09 H new ATOM 0 HB VAL A 24 -4.674 -0.442 0.116 1.00 0.11 H new ATOM 0 HG11 VAL A 24 -4.311 1.283 -1.633 1.00 0.12 H new ATOM 0 HG12 VAL A 24 -2.821 0.360 -1.324 1.00 0.12 H new ATOM 0 HG13 VAL A 24 -3.796 0.017 -2.773 1.00 0.12 H new ATOM 0 HG21 VAL A 24 -6.532 0.183 -1.406 1.00 0.14 H new ATOM 0 HG22 VAL A 24 -6.026 -1.089 -2.543 1.00 0.14 H new ATOM 0 HG23 VAL A 24 -6.640 -1.529 -0.932 1.00 0.14 H new ATOM 371 N VAL A 25 -1.544 -1.910 -1.004 1.00 0.09 N ATOM 372 CA VAL A 25 -0.209 -1.900 -0.319 1.00 0.09 C ATOM 373 C VAL A 25 0.515 -0.594 -0.636 1.00 0.10 C ATOM 374 O VAL A 25 0.723 -0.250 -1.782 1.00 0.11 O ATOM 375 CB VAL A 25 0.637 -3.077 -0.819 1.00 0.09 C ATOM 376 CG1 VAL A 25 1.906 -3.185 0.028 1.00 0.13 C ATOM 377 CG2 VAL A 25 -0.161 -4.381 -0.704 1.00 0.10 C ATOM 0 H VAL A 25 -1.512 -1.770 -2.014 1.00 0.09 H new ATOM 0 HA VAL A 25 -0.357 -1.988 0.757 1.00 0.09 H new ATOM 0 HB VAL A 25 0.902 -2.909 -1.863 1.00 0.09 H new ATOM 0 HG11 VAL A 25 2.509 -4.021 -0.325 1.00 0.13 H new ATOM 0 HG12 VAL A 25 2.480 -2.262 -0.057 1.00 0.13 H new ATOM 0 HG13 VAL A 25 1.635 -3.349 1.071 1.00 0.13 H new ATOM 0 HG21 VAL A 25 0.447 -5.212 -1.061 1.00 0.10 H new ATOM 0 HG22 VAL A 25 -0.432 -4.551 0.338 1.00 0.10 H new ATOM 0 HG23 VAL A 25 -1.066 -4.308 -1.307 1.00 0.10 H new ATOM 387 N ASP A 26 0.907 0.131 0.380 1.00 0.11 N ATOM 388 CA ASP A 26 1.632 1.424 0.163 1.00 0.12 C ATOM 389 C ASP A 26 3.139 1.231 0.394 1.00 0.14 C ATOM 390 O ASP A 26 3.574 0.883 1.472 1.00 0.20 O ATOM 391 CB ASP A 26 1.093 2.473 1.141 1.00 0.14 C ATOM 392 CG ASP A 26 1.827 3.798 0.925 1.00 0.16 C ATOM 393 OD1 ASP A 26 1.693 4.362 -0.150 1.00 1.05 O ATOM 394 OD2 ASP A 26 2.507 4.228 1.841 1.00 1.04 O ATOM 0 H ASP A 26 0.756 -0.117 1.358 1.00 0.11 H new ATOM 0 HA ASP A 26 1.473 1.758 -0.862 1.00 0.12 H new ATOM 0 HB2 ASP A 26 0.022 2.610 0.990 1.00 0.14 H new ATOM 0 HB3 ASP A 26 1.230 2.133 2.167 1.00 0.14 H new ATOM 399 N PHE A 27 3.934 1.469 -0.615 1.00 0.13 N ATOM 400 CA PHE A 27 5.422 1.324 -0.486 1.00 0.13 C ATOM 401 C PHE A 27 6.052 2.678 -0.183 1.00 0.22 C ATOM 402 O PHE A 27 7.209 2.909 -0.468 1.00 0.73 O ATOM 403 CB PHE A 27 6.005 0.792 -1.796 1.00 0.11 C ATOM 404 CG PHE A 27 5.659 -0.665 -1.952 1.00 0.10 C ATOM 405 CD1 PHE A 27 6.426 -1.636 -1.295 1.00 0.11 C ATOM 406 CD2 PHE A 27 4.584 -1.050 -2.759 1.00 0.12 C ATOM 407 CE1 PHE A 27 6.114 -2.993 -1.444 1.00 0.14 C ATOM 408 CE2 PHE A 27 4.274 -2.404 -2.906 1.00 0.14 C ATOM 409 CZ PHE A 27 5.038 -3.376 -2.249 1.00 0.14 C ATOM 0 H PHE A 27 3.615 1.762 -1.538 1.00 0.13 H new ATOM 0 HA PHE A 27 5.637 0.629 0.325 1.00 0.13 H new ATOM 0 HB2 PHE A 27 5.611 1.361 -2.638 1.00 0.11 H new ATOM 0 HB3 PHE A 27 7.087 0.921 -1.802 1.00 0.11 H new ATOM 0 HD1 PHE A 27 7.258 -1.338 -0.674 1.00 0.11 H new ATOM 0 HD2 PHE A 27 3.994 -0.302 -3.268 1.00 0.12 H new ATOM 0 HE1 PHE A 27 6.704 -3.742 -0.937 1.00 0.14 H new ATOM 0 HE2 PHE A 27 3.443 -2.702 -3.528 1.00 0.14 H new ATOM 0 HZ PHE A 27 4.796 -4.422 -2.364 1.00 0.14 H new ATOM 419 N SER A 28 5.305 3.591 0.360 1.00 0.30 N ATOM 420 CA SER A 28 5.886 4.930 0.634 1.00 0.24 C ATOM 421 C SER A 28 7.082 4.808 1.566 1.00 0.24 C ATOM 422 O SER A 28 7.113 3.986 2.459 1.00 0.28 O ATOM 423 CB SER A 28 4.847 5.830 1.301 1.00 0.27 C ATOM 424 OG SER A 28 3.727 5.979 0.441 1.00 0.29 O ATOM 0 H SER A 28 4.327 3.472 0.624 1.00 0.30 H new ATOM 0 HA SER A 28 6.199 5.362 -0.317 1.00 0.24 H new ATOM 0 HB2 SER A 28 4.534 5.399 2.252 1.00 0.27 H new ATOM 0 HB3 SER A 28 5.282 6.805 1.521 1.00 0.27 H new ATOM 0 HG SER A 28 3.060 6.555 0.870 1.00 0.29 H new ATOM 430 N ALA A 29 8.061 5.644 1.368 1.00 0.20 N ATOM 431 CA ALA A 29 9.259 5.612 2.243 1.00 0.21 C ATOM 432 C ALA A 29 8.943 6.433 3.483 1.00 0.22 C ATOM 433 O ALA A 29 8.534 7.572 3.393 1.00 0.22 O ATOM 434 CB ALA A 29 10.461 6.222 1.498 1.00 0.19 C ATOM 0 H ALA A 29 8.081 6.351 0.633 1.00 0.20 H new ATOM 0 HA ALA A 29 9.510 4.588 2.519 1.00 0.21 H new ATOM 0 HB1 ALA A 29 11.339 6.197 2.143 1.00 0.19 H new ATOM 0 HB2 ALA A 29 10.659 5.647 0.593 1.00 0.19 H new ATOM 0 HB3 ALA A 29 10.237 7.254 1.230 1.00 0.19 H new ATOM 440 N THR A 30 9.121 5.874 4.640 1.00 0.23 N ATOM 441 CA THR A 30 8.821 6.653 5.864 1.00 0.24 C ATOM 442 C THR A 30 9.844 7.782 5.992 1.00 0.22 C ATOM 443 O THR A 30 9.565 8.824 6.551 1.00 0.22 O ATOM 444 CB THR A 30 8.880 5.746 7.096 1.00 0.28 C ATOM 445 OG1 THR A 30 8.590 6.515 8.254 1.00 0.30 O ATOM 446 CG2 THR A 30 10.276 5.138 7.222 1.00 0.29 C ATOM 0 H THR A 30 9.457 4.923 4.791 1.00 0.23 H new ATOM 0 HA THR A 30 7.817 7.072 5.795 1.00 0.24 H new ATOM 0 HB THR A 30 8.149 4.944 6.994 1.00 0.28 H new ATOM 0 HG1 THR A 30 8.625 5.939 9.046 1.00 0.30 H new ATOM 0 HG21 THR A 30 10.314 4.493 8.100 1.00 0.29 H new ATOM 0 HG22 THR A 30 10.499 4.551 6.331 1.00 0.29 H new ATOM 0 HG23 THR A 30 11.012 5.935 7.325 1.00 0.29 H new ATOM 454 N TRP A 31 11.032 7.590 5.472 1.00 0.22 N ATOM 455 CA TRP A 31 12.061 8.666 5.574 1.00 0.21 C ATOM 456 C TRP A 31 11.776 9.760 4.554 1.00 0.19 C ATOM 457 O TRP A 31 12.258 10.869 4.673 1.00 0.22 O ATOM 458 CB TRP A 31 13.448 8.104 5.288 1.00 0.23 C ATOM 459 CG TRP A 31 13.492 7.551 3.897 1.00 0.22 C ATOM 460 CD1 TRP A 31 13.352 6.248 3.584 1.00 0.26 C ATOM 461 CD2 TRP A 31 13.674 8.257 2.631 1.00 0.21 C ATOM 462 NE1 TRP A 31 13.469 6.099 2.214 1.00 0.25 N ATOM 463 CE2 TRP A 31 13.662 7.307 1.584 1.00 0.21 C ATOM 464 CE3 TRP A 31 13.856 9.609 2.290 1.00 0.21 C ATOM 465 CZ2 TRP A 31 13.823 7.680 0.252 1.00 0.21 C ATOM 466 CZ3 TRP A 31 14.016 9.989 0.947 1.00 0.23 C ATOM 467 CH2 TRP A 31 14.001 9.025 -0.070 1.00 0.21 C ATOM 0 H TRP A 31 11.330 6.744 4.987 1.00 0.22 H new ATOM 0 HA TRP A 31 12.024 9.072 6.585 1.00 0.21 H new ATOM 0 HB2 TRP A 31 14.198 8.886 5.403 1.00 0.23 H new ATOM 0 HB3 TRP A 31 13.690 7.322 6.008 1.00 0.23 H new ATOM 0 HD1 TRP A 31 13.177 5.449 4.289 1.00 0.26 H new ATOM 0 HE1 TRP A 31 13.418 5.203 1.730 1.00 0.25 H new ATOM 0 HE3 TRP A 31 13.873 10.360 3.066 1.00 0.21 H new ATOM 0 HZ2 TRP A 31 13.810 6.932 -0.527 1.00 0.21 H new ATOM 0 HZ3 TRP A 31 14.151 11.031 0.697 1.00 0.23 H new ATOM 0 HH2 TRP A 31 14.127 9.323 -1.100 1.00 0.21 H new ATOM 478 N CYS A 32 11.004 9.467 3.546 1.00 0.18 N ATOM 479 CA CYS A 32 10.711 10.506 2.527 1.00 0.17 C ATOM 480 C CYS A 32 9.554 11.361 3.038 1.00 0.17 C ATOM 481 O CYS A 32 8.490 10.870 3.358 1.00 0.20 O ATOM 482 CB CYS A 32 10.352 9.834 1.193 1.00 0.18 C ATOM 483 SG CYS A 32 10.263 11.093 -0.114 1.00 0.26 S ATOM 0 H CYS A 32 10.567 8.559 3.386 1.00 0.18 H new ATOM 0 HA CYS A 32 11.582 11.139 2.359 1.00 0.17 H new ATOM 0 HB2 CYS A 32 11.100 9.083 0.939 1.00 0.18 H new ATOM 0 HB3 CYS A 32 9.397 9.316 1.280 1.00 0.18 H new ATOM 488 N GLY A 33 9.780 12.642 3.147 1.00 0.20 N ATOM 489 CA GLY A 33 8.731 13.557 3.672 1.00 0.23 C ATOM 490 C GLY A 33 7.496 13.597 2.762 1.00 0.21 C ATOM 491 O GLY A 33 6.396 13.376 3.225 1.00 0.22 O ATOM 0 H GLY A 33 10.657 13.097 2.891 1.00 0.20 H new ATOM 0 HA2 GLY A 33 8.435 13.235 4.670 1.00 0.23 H new ATOM 0 HA3 GLY A 33 9.142 14.562 3.770 1.00 0.23 H new ATOM 495 N PRO A 34 7.639 13.877 1.486 1.00 0.21 N ATOM 496 CA PRO A 34 6.444 13.916 0.601 1.00 0.22 C ATOM 497 C PRO A 34 5.696 12.575 0.568 1.00 0.22 C ATOM 498 O PRO A 34 4.493 12.537 0.421 1.00 0.24 O ATOM 499 CB PRO A 34 7.051 14.289 -0.770 1.00 0.29 C ATOM 500 CG PRO A 34 8.585 14.205 -0.653 1.00 0.31 C ATOM 501 CD PRO A 34 8.951 14.186 0.841 1.00 0.24 C ATOM 0 HA PRO A 34 5.684 14.621 0.937 1.00 0.22 H new ATOM 0 HB2 PRO A 34 6.691 13.610 -1.543 1.00 0.29 H new ATOM 0 HB3 PRO A 34 6.746 15.294 -1.061 1.00 0.29 H new ATOM 0 HG2 PRO A 34 8.956 13.307 -1.147 1.00 0.31 H new ATOM 0 HG3 PRO A 34 9.052 15.057 -1.148 1.00 0.31 H new ATOM 0 HD2 PRO A 34 9.703 13.430 1.066 1.00 0.24 H new ATOM 0 HD3 PRO A 34 9.352 15.143 1.174 1.00 0.24 H new ATOM 509 N ALA A 35 6.389 11.482 0.722 1.00 0.21 N ATOM 510 CA ALA A 35 5.695 10.163 0.707 1.00 0.23 C ATOM 511 C ALA A 35 4.977 9.936 2.050 1.00 0.23 C ATOM 512 O ALA A 35 3.788 9.693 2.098 1.00 0.22 O ATOM 513 CB ALA A 35 6.731 9.055 0.465 1.00 0.24 C ATOM 0 H ALA A 35 7.399 11.443 0.857 1.00 0.21 H new ATOM 0 HA ALA A 35 4.953 10.145 -0.091 1.00 0.23 H new ATOM 0 HB1 ALA A 35 6.232 8.086 0.453 1.00 0.24 H new ATOM 0 HB2 ALA A 35 7.224 9.221 -0.493 1.00 0.24 H new ATOM 0 HB3 ALA A 35 7.473 9.070 1.263 1.00 0.24 H new ATOM 519 N LYS A 36 5.691 10.012 3.140 1.00 0.25 N ATOM 520 CA LYS A 36 5.049 9.804 4.473 1.00 0.27 C ATOM 521 C LYS A 36 3.946 10.847 4.700 1.00 0.26 C ATOM 522 O LYS A 36 2.911 10.558 5.258 1.00 0.27 O ATOM 523 CB LYS A 36 6.097 9.910 5.579 1.00 0.33 C ATOM 524 CG LYS A 36 5.463 9.486 6.904 1.00 0.37 C ATOM 525 CD LYS A 36 6.464 9.684 8.043 1.00 0.44 C ATOM 526 CE LYS A 36 5.799 9.289 9.358 1.00 0.89 C ATOM 527 NZ LYS A 36 4.621 10.167 9.592 1.00 1.59 N ATOM 0 H LYS A 36 6.691 10.209 3.167 1.00 0.25 H new ATOM 0 HA LYS A 36 4.604 8.809 4.496 1.00 0.27 H new ATOM 0 HB2 LYS A 36 6.952 9.274 5.350 1.00 0.33 H new ATOM 0 HB3 LYS A 36 6.469 10.932 5.649 1.00 0.33 H new ATOM 0 HG2 LYS A 36 4.564 10.073 7.092 1.00 0.37 H new ATOM 0 HG3 LYS A 36 5.157 8.441 6.854 1.00 0.37 H new ATOM 0 HD2 LYS A 36 7.354 9.077 7.873 1.00 0.44 H new ATOM 0 HD3 LYS A 36 6.790 10.723 8.082 1.00 0.44 H new ATOM 0 HE2 LYS A 36 5.488 8.245 9.323 1.00 0.89 H new ATOM 0 HE3 LYS A 36 6.508 9.384 10.181 1.00 0.89 H new ATOM 0 HZ1 LYS A 36 4.369 10.149 10.601 1.00 1.59 H new ATOM 0 HZ2 LYS A 36 4.853 11.141 9.311 1.00 1.59 H new ATOM 0 HZ3 LYS A 36 3.816 9.826 9.028 1.00 1.59 H new ATOM 541 N MET A 37 4.167 12.060 4.278 1.00 0.28 N ATOM 542 CA MET A 37 3.146 13.133 4.481 1.00 0.30 C ATOM 543 C MET A 37 1.838 12.735 3.797 1.00 0.25 C ATOM 544 O MET A 37 0.772 13.139 4.207 1.00 0.25 O ATOM 545 CB MET A 37 3.673 14.436 3.877 1.00 0.38 C ATOM 546 CG MET A 37 2.749 15.604 4.242 1.00 0.44 C ATOM 547 SD MET A 37 1.278 15.571 3.187 1.00 1.54 S ATOM 548 CE MET A 37 0.561 17.128 3.765 1.00 2.10 C ATOM 0 H MET A 37 5.016 12.359 3.798 1.00 0.28 H new ATOM 0 HA MET A 37 2.959 13.271 5.546 1.00 0.30 H new ATOM 0 HB2 MET A 37 4.681 14.633 4.243 1.00 0.38 H new ATOM 0 HB3 MET A 37 3.740 14.341 2.793 1.00 0.38 H new ATOM 0 HG2 MET A 37 2.458 15.536 5.290 1.00 0.44 H new ATOM 0 HG3 MET A 37 3.276 16.550 4.118 1.00 0.44 H new ATOM 0 HE1 MET A 37 -0.375 17.315 3.238 1.00 2.10 H new ATOM 0 HE2 MET A 37 0.368 17.064 4.836 1.00 2.10 H new ATOM 0 HE3 MET A 37 1.257 17.944 3.569 1.00 2.10 H new ATOM 558 N ILE A 38 1.922 11.962 2.753 1.00 0.23 N ATOM 559 CA ILE A 38 0.699 11.521 2.013 1.00 0.25 C ATOM 560 C ILE A 38 0.052 10.297 2.682 1.00 0.26 C ATOM 561 O ILE A 38 -0.966 9.814 2.228 1.00 0.31 O ATOM 562 CB ILE A 38 1.080 11.162 0.571 1.00 0.33 C ATOM 563 CG1 ILE A 38 1.585 12.424 -0.142 1.00 0.34 C ATOM 564 CG2 ILE A 38 -0.143 10.593 -0.173 1.00 0.35 C ATOM 565 CD1 ILE A 38 2.400 12.041 -1.378 1.00 0.49 C ATOM 0 H ILE A 38 2.799 11.609 2.371 1.00 0.23 H new ATOM 0 HA ILE A 38 -0.020 12.340 2.024 1.00 0.25 H new ATOM 0 HB ILE A 38 1.865 10.406 0.579 1.00 0.33 H new ATOM 0 HG12 ILE A 38 0.741 13.049 -0.433 1.00 0.34 H new ATOM 0 HG13 ILE A 38 2.198 13.014 0.539 1.00 0.34 H new ATOM 0 HG21 ILE A 38 0.138 10.341 -1.196 1.00 0.35 H new ATOM 0 HG22 ILE A 38 -0.495 9.697 0.338 1.00 0.35 H new ATOM 0 HG23 ILE A 38 -0.939 11.338 -0.188 1.00 0.35 H new ATOM 0 HD11 ILE A 38 2.753 12.944 -1.875 1.00 0.49 H new ATOM 0 HD12 ILE A 38 3.255 11.435 -1.077 1.00 0.49 H new ATOM 0 HD13 ILE A 38 1.774 11.470 -2.064 1.00 0.49 H new ATOM 577 N LYS A 39 0.641 9.746 3.719 1.00 0.27 N ATOM 578 CA LYS A 39 0.025 8.519 4.318 1.00 0.34 C ATOM 579 C LYS A 39 -1.349 8.780 4.981 1.00 0.30 C ATOM 580 O LYS A 39 -2.144 7.873 5.046 1.00 0.33 O ATOM 581 CB LYS A 39 0.960 7.794 5.322 1.00 0.46 C ATOM 582 CG LYS A 39 0.975 8.452 6.722 1.00 0.50 C ATOM 583 CD LYS A 39 1.731 7.564 7.728 1.00 0.65 C ATOM 584 CE LYS A 39 1.092 6.169 7.836 1.00 0.80 C ATOM 585 NZ LYS A 39 1.356 5.615 9.193 1.00 0.75 N ATOM 0 H LYS A 39 1.495 10.080 4.165 1.00 0.27 H new ATOM 0 HA LYS A 39 -0.134 7.861 3.464 1.00 0.34 H new ATOM 0 HB2 LYS A 39 0.644 6.755 5.419 1.00 0.46 H new ATOM 0 HB3 LYS A 39 1.974 7.782 4.922 1.00 0.46 H new ATOM 0 HG2 LYS A 39 1.449 9.432 6.665 1.00 0.50 H new ATOM 0 HG3 LYS A 39 -0.047 8.612 7.066 1.00 0.50 H new ATOM 0 HD2 LYS A 39 2.772 7.466 7.419 1.00 0.65 H new ATOM 0 HD3 LYS A 39 1.733 8.042 8.708 1.00 0.65 H new ATOM 0 HE2 LYS A 39 0.018 6.233 7.658 1.00 0.80 H new ATOM 0 HE3 LYS A 39 1.503 5.507 7.073 1.00 0.80 H new ATOM 0 HZ1 LYS A 39 1.558 4.598 9.119 1.00 0.75 H new ATOM 0 HZ2 LYS A 39 2.174 6.101 9.613 1.00 0.75 H new ATOM 0 HZ3 LYS A 39 0.521 5.759 9.795 1.00 0.75 H new ATOM 599 N PRO A 40 -1.651 9.951 5.522 1.00 0.26 N ATOM 600 CA PRO A 40 -2.965 10.137 6.205 1.00 0.25 C ATOM 601 C PRO A 40 -4.140 9.778 5.309 1.00 0.20 C ATOM 602 O PRO A 40 -5.097 9.191 5.749 1.00 0.21 O ATOM 603 CB PRO A 40 -2.945 11.632 6.546 1.00 0.26 C ATOM 604 CG PRO A 40 -1.485 12.067 6.509 1.00 0.28 C ATOM 605 CD PRO A 40 -0.788 11.162 5.489 1.00 0.27 C ATOM 0 HA PRO A 40 -3.092 9.490 7.073 1.00 0.25 H new ATOM 0 HB2 PRO A 40 -3.537 12.201 5.829 1.00 0.26 H new ATOM 0 HB3 PRO A 40 -3.378 11.811 7.530 1.00 0.26 H new ATOM 0 HG2 PRO A 40 -1.399 13.115 6.221 1.00 0.28 H new ATOM 0 HG3 PRO A 40 -1.026 11.969 7.493 1.00 0.28 H new ATOM 0 HD2 PRO A 40 -0.754 11.613 4.497 1.00 0.27 H new ATOM 0 HD3 PRO A 40 0.240 10.940 5.774 1.00 0.27 H new ATOM 613 N PHE A 41 -4.087 10.120 4.056 1.00 0.16 N ATOM 614 CA PHE A 41 -5.227 9.759 3.184 1.00 0.13 C ATOM 615 C PHE A 41 -5.236 8.245 3.018 1.00 0.13 C ATOM 616 O PHE A 41 -6.252 7.597 3.147 1.00 0.15 O ATOM 617 CB PHE A 41 -5.046 10.426 1.821 1.00 0.14 C ATOM 618 CG PHE A 41 -5.373 11.892 1.937 1.00 0.18 C ATOM 619 CD1 PHE A 41 -4.497 12.748 2.610 1.00 0.25 C ATOM 620 CD2 PHE A 41 -6.551 12.392 1.377 1.00 0.22 C ATOM 621 CE1 PHE A 41 -4.798 14.110 2.723 1.00 0.34 C ATOM 622 CE2 PHE A 41 -6.856 13.751 1.489 1.00 0.31 C ATOM 623 CZ PHE A 41 -5.980 14.612 2.162 1.00 0.37 C ATOM 0 H PHE A 41 -3.321 10.623 3.607 1.00 0.16 H new ATOM 0 HA PHE A 41 -6.167 10.093 3.622 1.00 0.13 H new ATOM 0 HB2 PHE A 41 -4.021 10.297 1.473 1.00 0.14 H new ATOM 0 HB3 PHE A 41 -5.695 9.954 1.083 1.00 0.14 H new ATOM 0 HD1 PHE A 41 -3.588 12.358 3.043 1.00 0.25 H new ATOM 0 HD2 PHE A 41 -7.226 11.728 0.857 1.00 0.22 H new ATOM 0 HE1 PHE A 41 -4.121 14.773 3.241 1.00 0.34 H new ATOM 0 HE2 PHE A 41 -7.767 14.137 1.057 1.00 0.31 H new ATOM 0 HZ PHE A 41 -6.215 15.662 2.249 1.00 0.37 H new ATOM 633 N PHE A 42 -4.089 7.669 2.792 1.00 0.12 N ATOM 634 CA PHE A 42 -4.012 6.191 2.664 1.00 0.13 C ATOM 635 C PHE A 42 -4.495 5.539 3.962 1.00 0.14 C ATOM 636 O PHE A 42 -5.380 4.706 3.971 1.00 0.16 O ATOM 637 CB PHE A 42 -2.555 5.799 2.381 1.00 0.13 C ATOM 638 CG PHE A 42 -2.425 4.298 2.412 1.00 0.12 C ATOM 639 CD1 PHE A 42 -2.825 3.534 1.309 1.00 0.12 C ATOM 640 CD2 PHE A 42 -1.925 3.668 3.558 1.00 0.12 C ATOM 641 CE1 PHE A 42 -2.724 2.140 1.354 1.00 0.13 C ATOM 642 CE2 PHE A 42 -1.820 2.273 3.601 1.00 0.13 C ATOM 643 CZ PHE A 42 -2.220 1.508 2.499 1.00 0.13 C ATOM 0 H PHE A 42 -3.201 8.160 2.690 1.00 0.12 H new ATOM 0 HA PHE A 42 -4.646 5.849 1.846 1.00 0.13 H new ATOM 0 HB2 PHE A 42 -2.246 6.182 1.408 1.00 0.13 H new ATOM 0 HB3 PHE A 42 -1.895 6.248 3.124 1.00 0.13 H new ATOM 0 HD1 PHE A 42 -3.211 4.020 0.425 1.00 0.12 H new ATOM 0 HD2 PHE A 42 -1.620 4.259 4.409 1.00 0.12 H new ATOM 0 HE1 PHE A 42 -3.035 1.549 0.505 1.00 0.13 H new ATOM 0 HE2 PHE A 42 -1.431 1.787 4.484 1.00 0.13 H new ATOM 0 HZ PHE A 42 -2.140 0.431 2.531 1.00 0.13 H new ATOM 653 N HIS A 43 -3.907 5.928 5.057 1.00 0.16 N ATOM 654 CA HIS A 43 -4.279 5.364 6.383 1.00 0.18 C ATOM 655 C HIS A 43 -5.710 5.784 6.767 1.00 0.16 C ATOM 656 O HIS A 43 -6.468 5.007 7.309 1.00 0.16 O ATOM 657 CB HIS A 43 -3.259 5.875 7.413 1.00 0.23 C ATOM 658 CG HIS A 43 -3.575 5.338 8.777 1.00 0.27 C ATOM 659 ND1 HIS A 43 -2.982 4.189 9.279 1.00 0.30 N ATOM 660 CD2 HIS A 43 -4.451 5.757 9.739 1.00 0.28 C ATOM 661 CE1 HIS A 43 -3.511 3.956 10.492 1.00 0.32 C ATOM 662 NE2 HIS A 43 -4.415 4.883 10.822 1.00 0.31 N ATOM 0 H HIS A 43 -3.167 6.629 5.089 1.00 0.16 H new ATOM 0 HA HIS A 43 -4.262 4.275 6.351 1.00 0.18 H new ATOM 0 HB2 HIS A 43 -2.254 5.571 7.120 1.00 0.23 H new ATOM 0 HB3 HIS A 43 -3.269 6.965 7.434 1.00 0.23 H new ATOM 0 HD2 HIS A 43 -5.077 6.634 9.669 1.00 0.28 H new ATOM 0 HE1 HIS A 43 -3.239 3.122 11.122 1.00 0.32 H new ATOM 0 HE2 HIS A 43 -4.961 4.938 11.682 1.00 0.31 H new ATOM 670 N SER A 44 -6.086 7.009 6.492 1.00 0.15 N ATOM 671 CA SER A 44 -7.467 7.472 6.838 1.00 0.15 C ATOM 672 C SER A 44 -8.513 6.635 6.087 1.00 0.13 C ATOM 673 O SER A 44 -9.568 6.333 6.606 1.00 0.15 O ATOM 674 CB SER A 44 -7.646 8.948 6.477 1.00 0.18 C ATOM 675 OG SER A 44 -6.789 9.738 7.294 1.00 0.22 O ATOM 0 H SER A 44 -5.496 7.709 6.042 1.00 0.15 H new ATOM 0 HA SER A 44 -7.607 7.348 7.912 1.00 0.15 H new ATOM 0 HB2 SER A 44 -7.413 9.108 5.424 1.00 0.18 H new ATOM 0 HB3 SER A 44 -8.684 9.247 6.623 1.00 0.18 H new ATOM 0 HG SER A 44 -5.922 9.846 6.850 1.00 0.22 H new ATOM 681 N LEU A 45 -8.233 6.281 4.860 1.00 0.12 N ATOM 682 CA LEU A 45 -9.212 5.487 4.056 1.00 0.14 C ATOM 683 C LEU A 45 -9.487 4.145 4.731 1.00 0.13 C ATOM 684 O LEU A 45 -10.510 3.528 4.510 1.00 0.15 O ATOM 685 CB LEU A 45 -8.656 5.246 2.649 1.00 0.16 C ATOM 686 CG LEU A 45 -8.712 6.549 1.817 1.00 0.18 C ATOM 687 CD1 LEU A 45 -7.704 6.469 0.663 1.00 0.20 C ATOM 688 CD2 LEU A 45 -10.118 6.739 1.222 1.00 0.22 C ATOM 0 H LEU A 45 -7.364 6.508 4.377 1.00 0.12 H new ATOM 0 HA LEU A 45 -10.144 6.049 3.988 1.00 0.14 H new ATOM 0 HB2 LEU A 45 -7.627 4.892 2.713 1.00 0.16 H new ATOM 0 HB3 LEU A 45 -9.232 4.465 2.152 1.00 0.16 H new ATOM 0 HG LEU A 45 -8.472 7.388 2.471 1.00 0.18 H new ATOM 0 HD11 LEU A 45 -7.746 7.388 0.079 1.00 0.20 H new ATOM 0 HD12 LEU A 45 -6.699 6.340 1.066 1.00 0.20 H new ATOM 0 HD13 LEU A 45 -7.950 5.621 0.023 1.00 0.20 H new ATOM 0 HD21 LEU A 45 -10.145 7.659 0.639 1.00 0.22 H new ATOM 0 HD22 LEU A 45 -10.357 5.893 0.577 1.00 0.22 H new ATOM 0 HD23 LEU A 45 -10.849 6.799 2.028 1.00 0.22 H new ATOM 700 N SER A 46 -8.584 3.678 5.539 1.00 0.12 N ATOM 701 CA SER A 46 -8.807 2.370 6.205 1.00 0.12 C ATOM 702 C SER A 46 -10.139 2.413 6.945 1.00 0.14 C ATOM 703 O SER A 46 -10.870 1.447 6.979 1.00 0.16 O ATOM 704 CB SER A 46 -7.684 2.113 7.209 1.00 0.13 C ATOM 705 OG SER A 46 -6.440 2.096 6.523 1.00 0.14 O ATOM 0 H SER A 46 -7.705 4.142 5.767 1.00 0.12 H new ATOM 0 HA SER A 46 -8.819 1.574 5.460 1.00 0.12 H new ATOM 0 HB2 SER A 46 -7.680 2.888 7.975 1.00 0.13 H new ATOM 0 HB3 SER A 46 -7.845 1.163 7.718 1.00 0.13 H new ATOM 0 HG SER A 46 -6.044 2.992 6.542 1.00 0.14 H new ATOM 711 N GLU A 47 -10.454 3.520 7.555 1.00 0.15 N ATOM 712 CA GLU A 47 -11.742 3.621 8.303 1.00 0.18 C ATOM 713 C GLU A 47 -12.853 4.075 7.358 1.00 0.18 C ATOM 714 O GLU A 47 -14.023 3.999 7.675 1.00 0.21 O ATOM 715 CB GLU A 47 -11.587 4.636 9.434 1.00 0.22 C ATOM 716 CG GLU A 47 -10.658 4.060 10.504 1.00 0.23 C ATOM 717 CD GLU A 47 -9.219 4.066 9.982 1.00 1.34 C ATOM 718 OE1 GLU A 47 -8.922 4.886 9.131 1.00 2.05 O ATOM 719 OE2 GLU A 47 -8.443 3.243 10.436 1.00 2.16 O ATOM 0 H GLU A 47 -9.877 4.361 7.569 1.00 0.15 H new ATOM 0 HA GLU A 47 -12.000 2.646 8.717 1.00 0.18 H new ATOM 0 HB2 GLU A 47 -11.180 5.570 9.047 1.00 0.22 H new ATOM 0 HB3 GLU A 47 -12.560 4.867 9.867 1.00 0.22 H new ATOM 0 HG2 GLU A 47 -10.728 4.650 11.418 1.00 0.23 H new ATOM 0 HG3 GLU A 47 -10.961 3.044 10.756 1.00 0.23 H new ATOM 726 N LYS A 48 -12.498 4.549 6.201 1.00 0.17 N ATOM 727 CA LYS A 48 -13.536 4.999 5.235 1.00 0.19 C ATOM 728 C LYS A 48 -14.056 3.730 4.564 1.00 0.18 C ATOM 729 O LYS A 48 -15.229 3.566 4.290 1.00 0.21 O ATOM 730 CB LYS A 48 -12.881 5.942 4.222 1.00 0.20 C ATOM 731 CG LYS A 48 -13.920 6.827 3.520 1.00 0.30 C ATOM 732 CD LYS A 48 -15.135 6.023 3.076 1.00 0.82 C ATOM 733 CE LYS A 48 -15.978 6.867 2.123 1.00 1.03 C ATOM 734 NZ LYS A 48 -17.107 6.042 1.618 1.00 1.78 N ATOM 0 H LYS A 48 -11.534 4.645 5.881 1.00 0.17 H new ATOM 0 HA LYS A 48 -14.356 5.540 5.707 1.00 0.19 H new ATOM 0 HB2 LYS A 48 -12.150 6.571 4.730 1.00 0.20 H new ATOM 0 HB3 LYS A 48 -12.338 5.358 3.479 1.00 0.20 H new ATOM 0 HG2 LYS A 48 -14.236 7.622 4.195 1.00 0.30 H new ATOM 0 HG3 LYS A 48 -13.464 7.307 2.654 1.00 0.30 H new ATOM 0 HD2 LYS A 48 -14.817 5.105 2.582 1.00 0.82 H new ATOM 0 HD3 LYS A 48 -15.728 5.730 3.942 1.00 0.82 H new ATOM 0 HE2 LYS A 48 -16.357 7.750 2.637 1.00 1.03 H new ATOM 0 HE3 LYS A 48 -15.368 7.220 1.292 1.00 1.03 H new ATOM 0 HZ1 LYS A 48 -17.687 6.609 0.967 1.00 1.78 H new ATOM 0 HZ2 LYS A 48 -16.733 5.212 1.115 1.00 1.78 H new ATOM 0 HZ3 LYS A 48 -17.692 5.727 2.418 1.00 1.78 H new ATOM 748 N TYR A 49 -13.156 2.817 4.325 1.00 0.16 N ATOM 749 CA TYR A 49 -13.514 1.511 3.702 1.00 0.17 C ATOM 750 C TYR A 49 -13.049 0.414 4.655 1.00 0.16 C ATOM 751 O TYR A 49 -12.154 -0.353 4.362 1.00 0.16 O ATOM 752 CB TYR A 49 -12.783 1.372 2.361 1.00 0.17 C ATOM 753 CG TYR A 49 -13.370 2.326 1.350 1.00 0.17 C ATOM 754 CD1 TYR A 49 -14.505 1.953 0.623 1.00 0.22 C ATOM 755 CD2 TYR A 49 -12.785 3.577 1.139 1.00 0.19 C ATOM 756 CE1 TYR A 49 -15.056 2.832 -0.315 1.00 0.25 C ATOM 757 CE2 TYR A 49 -13.336 4.458 0.201 1.00 0.20 C ATOM 758 CZ TYR A 49 -14.471 4.085 -0.527 1.00 0.21 C ATOM 759 OH TYR A 49 -15.015 4.952 -1.453 1.00 0.25 O ATOM 0 H TYR A 49 -12.165 2.924 4.540 1.00 0.16 H new ATOM 0 HA TYR A 49 -14.587 1.441 3.525 1.00 0.17 H new ATOM 0 HB2 TYR A 49 -11.721 1.578 2.494 1.00 0.17 H new ATOM 0 HB3 TYR A 49 -12.866 0.348 1.997 1.00 0.17 H new ATOM 0 HD1 TYR A 49 -14.956 0.985 0.786 1.00 0.22 H new ATOM 0 HD2 TYR A 49 -11.908 3.864 1.700 1.00 0.19 H new ATOM 0 HE1 TYR A 49 -15.933 2.544 -0.876 1.00 0.25 H new ATOM 0 HE2 TYR A 49 -12.885 5.426 0.039 1.00 0.20 H new ATOM 0 HH TYR A 49 -14.346 5.161 -2.138 1.00 0.25 H new ATOM 769 N SER A 50 -13.666 0.343 5.803 1.00 0.17 N ATOM 770 CA SER A 50 -13.279 -0.681 6.801 1.00 0.18 C ATOM 771 C SER A 50 -13.527 -2.071 6.209 1.00 0.19 C ATOM 772 O SER A 50 -13.130 -3.076 6.765 1.00 0.21 O ATOM 773 CB SER A 50 -14.103 -0.474 8.073 1.00 0.20 C ATOM 774 OG SER A 50 -15.458 -0.826 7.826 1.00 0.22 O ATOM 0 H SER A 50 -14.427 0.958 6.090 1.00 0.17 H new ATOM 0 HA SER A 50 -12.222 -0.592 7.052 1.00 0.18 H new ATOM 0 HB2 SER A 50 -13.700 -1.083 8.882 1.00 0.20 H new ATOM 0 HB3 SER A 50 -14.040 0.566 8.394 1.00 0.20 H new ATOM 0 HG SER A 50 -15.984 -0.694 8.642 1.00 0.22 H new ATOM 780 N ASN A 51 -14.163 -2.129 5.066 1.00 0.20 N ATOM 781 CA ASN A 51 -14.424 -3.446 4.411 1.00 0.23 C ATOM 782 C ASN A 51 -13.256 -3.767 3.465 1.00 0.19 C ATOM 783 O ASN A 51 -13.301 -4.708 2.697 1.00 0.22 O ATOM 784 CB ASN A 51 -15.736 -3.366 3.617 1.00 0.32 C ATOM 785 CG ASN A 51 -16.182 -4.771 3.195 1.00 0.54 C ATOM 786 OD1 ASN A 51 -16.542 -5.582 4.026 1.00 1.13 O ATOM 787 ND2 ASN A 51 -16.181 -5.093 1.929 1.00 0.27 N ATOM 0 H ASN A 51 -14.514 -1.318 4.557 1.00 0.20 H new ATOM 0 HA ASN A 51 -14.511 -4.231 5.162 1.00 0.23 H new ATOM 0 HB2 ASN A 51 -16.510 -2.897 4.225 1.00 0.32 H new ATOM 0 HB3 ASN A 51 -15.599 -2.739 2.736 1.00 0.32 H new ATOM 0 HD21 ASN A 51 -16.482 -6.024 1.639 1.00 0.27 H new ATOM 0 HD22 ASN A 51 -15.879 -4.414 1.230 1.00 0.27 H new ATOM 794 N VAL A 52 -12.199 -2.990 3.540 1.00 0.21 N ATOM 795 CA VAL A 52 -10.993 -3.226 2.686 1.00 0.17 C ATOM 796 C VAL A 52 -9.759 -3.240 3.595 1.00 0.13 C ATOM 797 O VAL A 52 -9.722 -2.559 4.599 1.00 0.14 O ATOM 798 CB VAL A 52 -10.872 -2.108 1.642 1.00 0.19 C ATOM 799 CG1 VAL A 52 -9.491 -2.167 0.958 1.00 0.19 C ATOM 800 CG2 VAL A 52 -11.978 -2.277 0.595 1.00 0.24 C ATOM 0 H VAL A 52 -12.122 -2.190 4.168 1.00 0.21 H new ATOM 0 HA VAL A 52 -11.078 -4.178 2.162 1.00 0.17 H new ATOM 0 HB VAL A 52 -10.977 -1.141 2.134 1.00 0.19 H new ATOM 0 HG11 VAL A 52 -9.417 -1.369 0.219 1.00 0.19 H new ATOM 0 HG12 VAL A 52 -8.709 -2.043 1.707 1.00 0.19 H new ATOM 0 HG13 VAL A 52 -9.371 -3.131 0.464 1.00 0.19 H new ATOM 0 HG21 VAL A 52 -11.898 -1.485 -0.150 1.00 0.24 H new ATOM 0 HG22 VAL A 52 -11.873 -3.246 0.108 1.00 0.24 H new ATOM 0 HG23 VAL A 52 -12.952 -2.220 1.082 1.00 0.24 H new ATOM 810 N ILE A 53 -8.758 -4.023 3.274 1.00 0.11 N ATOM 811 CA ILE A 53 -7.540 -4.084 4.152 1.00 0.09 C ATOM 812 C ILE A 53 -6.409 -3.229 3.551 1.00 0.09 C ATOM 813 O ILE A 53 -5.954 -3.476 2.454 1.00 0.12 O ATOM 814 CB ILE A 53 -7.081 -5.544 4.246 1.00 0.11 C ATOM 815 CG1 ILE A 53 -8.270 -6.446 4.611 1.00 0.13 C ATOM 816 CG2 ILE A 53 -5.992 -5.683 5.314 1.00 0.13 C ATOM 817 CD1 ILE A 53 -8.988 -5.910 5.856 1.00 0.15 C ATOM 0 H ILE A 53 -8.728 -4.620 2.448 1.00 0.11 H new ATOM 0 HA ILE A 53 -7.782 -3.698 5.142 1.00 0.09 H new ATOM 0 HB ILE A 53 -6.680 -5.848 3.279 1.00 0.11 H new ATOM 0 HG12 ILE A 53 -8.967 -6.495 3.775 1.00 0.13 H new ATOM 0 HG13 ILE A 53 -7.921 -7.462 4.795 1.00 0.13 H new ATOM 0 HG21 ILE A 53 -5.672 -6.723 5.374 1.00 0.13 H new ATOM 0 HG22 ILE A 53 -5.141 -5.056 5.049 1.00 0.13 H new ATOM 0 HG23 ILE A 53 -6.387 -5.369 6.280 1.00 0.13 H new ATOM 0 HD11 ILE A 53 -9.827 -6.561 6.100 1.00 0.15 H new ATOM 0 HD12 ILE A 53 -8.292 -5.885 6.695 1.00 0.15 H new ATOM 0 HD13 ILE A 53 -9.355 -4.903 5.659 1.00 0.15 H new ATOM 829 N PHE A 54 -5.940 -2.232 4.270 1.00 0.08 N ATOM 830 CA PHE A 54 -4.826 -1.368 3.747 1.00 0.09 C ATOM 831 C PHE A 54 -3.504 -1.780 4.417 1.00 0.09 C ATOM 832 O PHE A 54 -3.414 -1.845 5.628 1.00 0.12 O ATOM 833 CB PHE A 54 -5.109 0.097 4.098 1.00 0.10 C ATOM 834 CG PHE A 54 -6.326 0.600 3.357 1.00 0.09 C ATOM 835 CD1 PHE A 54 -7.596 0.148 3.719 1.00 0.09 C ATOM 836 CD2 PHE A 54 -6.187 1.540 2.323 1.00 0.10 C ATOM 837 CE1 PHE A 54 -8.726 0.632 3.051 1.00 0.10 C ATOM 838 CE2 PHE A 54 -7.320 2.020 1.652 1.00 0.11 C ATOM 839 CZ PHE A 54 -8.589 1.565 2.017 1.00 0.10 C ATOM 0 H PHE A 54 -6.281 -1.979 5.197 1.00 0.08 H new ATOM 0 HA PHE A 54 -4.755 -1.489 2.666 1.00 0.09 H new ATOM 0 HB2 PHE A 54 -5.265 0.195 5.172 1.00 0.10 H new ATOM 0 HB3 PHE A 54 -4.244 0.710 3.845 1.00 0.10 H new ATOM 0 HD1 PHE A 54 -7.706 -0.575 4.514 1.00 0.09 H new ATOM 0 HD2 PHE A 54 -5.205 1.894 2.044 1.00 0.10 H new ATOM 0 HE1 PHE A 54 -9.708 0.284 3.335 1.00 0.10 H new ATOM 0 HE2 PHE A 54 -7.212 2.740 0.854 1.00 0.11 H new ATOM 0 HZ PHE A 54 -9.464 1.933 1.502 1.00 0.10 H new ATOM 849 N LEU A 55 -2.475 -2.049 3.640 1.00 0.09 N ATOM 850 CA LEU A 55 -1.145 -2.449 4.221 1.00 0.11 C ATOM 851 C LEU A 55 -0.138 -1.322 4.005 1.00 0.10 C ATOM 852 O LEU A 55 -0.088 -0.719 2.951 1.00 0.10 O ATOM 853 CB LEU A 55 -0.583 -3.716 3.525 1.00 0.12 C ATOM 854 CG LEU A 55 -1.341 -5.001 3.929 1.00 0.15 C ATOM 855 CD1 LEU A 55 -2.845 -4.764 4.026 1.00 0.20 C ATOM 856 CD2 LEU A 55 -1.073 -6.097 2.892 1.00 0.22 C ATOM 0 H LEU A 55 -2.499 -2.008 2.621 1.00 0.09 H new ATOM 0 HA LEU A 55 -1.295 -2.652 5.281 1.00 0.11 H new ATOM 0 HB2 LEU A 55 -0.642 -3.589 2.444 1.00 0.12 H new ATOM 0 HB3 LEU A 55 0.472 -3.827 3.776 1.00 0.12 H new ATOM 0 HG LEU A 55 -0.981 -5.306 4.912 1.00 0.15 H new ATOM 0 HD11 LEU A 55 -3.342 -5.691 4.312 1.00 0.20 H new ATOM 0 HD12 LEU A 55 -3.045 -3.999 4.776 1.00 0.20 H new ATOM 0 HD13 LEU A 55 -3.224 -4.433 3.059 1.00 0.20 H new ATOM 0 HD21 LEU A 55 -1.607 -7.004 3.175 1.00 0.22 H new ATOM 0 HD22 LEU A 55 -1.418 -5.764 1.913 1.00 0.22 H new ATOM 0 HD23 LEU A 55 -0.004 -6.304 2.849 1.00 0.22 H new ATOM 868 N GLU A 56 0.696 -1.063 4.984 1.00 0.12 N ATOM 869 CA GLU A 56 1.742 -0.009 4.838 1.00 0.13 C ATOM 870 C GLU A 56 3.084 -0.730 4.772 1.00 0.13 C ATOM 871 O GLU A 56 3.371 -1.585 5.586 1.00 0.14 O ATOM 872 CB GLU A 56 1.710 0.941 6.045 1.00 0.15 C ATOM 873 CG GLU A 56 2.614 2.147 5.769 1.00 0.17 C ATOM 874 CD GLU A 56 2.757 2.996 7.040 1.00 0.20 C ATOM 875 OE1 GLU A 56 1.755 3.213 7.704 1.00 1.13 O ATOM 876 OE2 GLU A 56 3.864 3.423 7.321 1.00 1.05 O ATOM 0 H GLU A 56 0.694 -1.542 5.884 1.00 0.12 H new ATOM 0 HA GLU A 56 1.573 0.589 3.942 1.00 0.13 H new ATOM 0 HB2 GLU A 56 0.689 1.274 6.233 1.00 0.15 H new ATOM 0 HB3 GLU A 56 2.045 0.419 6.941 1.00 0.15 H new ATOM 0 HG2 GLU A 56 3.595 1.808 5.436 1.00 0.17 H new ATOM 0 HG3 GLU A 56 2.194 2.750 4.964 1.00 0.17 H new ATOM 883 N VAL A 57 3.891 -0.420 3.790 1.00 0.12 N ATOM 884 CA VAL A 57 5.209 -1.118 3.640 1.00 0.12 C ATOM 885 C VAL A 57 6.342 -0.096 3.553 1.00 0.11 C ATOM 886 O VAL A 57 6.302 0.833 2.770 1.00 0.13 O ATOM 887 CB VAL A 57 5.180 -1.936 2.349 1.00 0.12 C ATOM 888 CG1 VAL A 57 6.470 -2.740 2.211 1.00 0.15 C ATOM 889 CG2 VAL A 57 3.989 -2.888 2.387 1.00 0.14 C ATOM 0 H VAL A 57 3.696 0.288 3.082 1.00 0.12 H new ATOM 0 HA VAL A 57 5.378 -1.763 4.502 1.00 0.12 H new ATOM 0 HB VAL A 57 5.089 -1.262 1.497 1.00 0.12 H new ATOM 0 HG11 VAL A 57 6.440 -3.320 1.288 1.00 0.15 H new ATOM 0 HG12 VAL A 57 7.322 -2.060 2.185 1.00 0.15 H new ATOM 0 HG13 VAL A 57 6.571 -3.415 3.061 1.00 0.15 H new ATOM 0 HG21 VAL A 57 3.963 -3.475 1.469 1.00 0.14 H new ATOM 0 HG22 VAL A 57 4.085 -3.557 3.242 1.00 0.14 H new ATOM 0 HG23 VAL A 57 3.067 -2.314 2.477 1.00 0.14 H new ATOM 899 N ASP A 58 7.360 -0.278 4.341 1.00 0.10 N ATOM 900 CA ASP A 58 8.522 0.648 4.318 1.00 0.09 C ATOM 901 C ASP A 58 9.563 0.085 3.365 1.00 0.09 C ATOM 902 O ASP A 58 10.075 -0.994 3.570 1.00 0.09 O ATOM 903 CB ASP A 58 9.116 0.702 5.718 1.00 0.10 C ATOM 904 CG ASP A 58 10.150 1.825 5.793 1.00 0.11 C ATOM 905 OD1 ASP A 58 10.544 2.309 4.745 1.00 1.05 O ATOM 906 OD2 ASP A 58 10.531 2.180 6.896 1.00 1.02 O ATOM 0 H ASP A 58 7.437 -1.043 5.012 1.00 0.10 H new ATOM 0 HA ASP A 58 8.217 1.644 3.998 1.00 0.09 H new ATOM 0 HB2 ASP A 58 8.328 0.870 6.452 1.00 0.10 H new ATOM 0 HB3 ASP A 58 9.582 -0.252 5.963 1.00 0.10 H new ATOM 911 N VAL A 59 9.908 0.793 2.339 1.00 0.09 N ATOM 912 CA VAL A 59 10.932 0.245 1.420 1.00 0.10 C ATOM 913 C VAL A 59 12.261 0.191 2.166 1.00 0.11 C ATOM 914 O VAL A 59 13.170 -0.517 1.786 1.00 0.12 O ATOM 915 CB VAL A 59 11.067 1.141 0.189 1.00 0.12 C ATOM 916 CG1 VAL A 59 9.737 1.168 -0.557 1.00 0.14 C ATOM 917 CG2 VAL A 59 11.442 2.563 0.611 1.00 0.16 C ATOM 0 H VAL A 59 9.535 1.711 2.097 1.00 0.09 H new ATOM 0 HA VAL A 59 10.641 -0.752 1.090 1.00 0.10 H new ATOM 0 HB VAL A 59 11.850 0.746 -0.459 1.00 0.12 H new ATOM 0 HG11 VAL A 59 9.826 1.806 -1.437 1.00 0.14 H new ATOM 0 HG12 VAL A 59 9.473 0.157 -0.867 1.00 0.14 H new ATOM 0 HG13 VAL A 59 8.960 1.561 0.099 1.00 0.14 H new ATOM 0 HG21 VAL A 59 11.535 3.192 -0.274 1.00 0.16 H new ATOM 0 HG22 VAL A 59 10.666 2.966 1.262 1.00 0.16 H new ATOM 0 HG23 VAL A 59 12.392 2.545 1.146 1.00 0.16 H new ATOM 927 N ASP A 60 12.388 0.960 3.221 1.00 0.10 N ATOM 928 CA ASP A 60 13.672 0.974 3.984 1.00 0.12 C ATOM 929 C ASP A 60 13.666 -0.057 5.127 1.00 0.13 C ATOM 930 O ASP A 60 14.644 -0.743 5.338 1.00 0.15 O ATOM 931 CB ASP A 60 13.871 2.379 4.552 1.00 0.14 C ATOM 932 CG ASP A 60 14.413 3.297 3.453 1.00 0.16 C ATOM 933 OD1 ASP A 60 13.620 3.742 2.644 1.00 1.07 O ATOM 934 OD2 ASP A 60 15.611 3.528 3.434 1.00 1.08 O ATOM 0 H ASP A 60 11.660 1.575 3.584 1.00 0.10 H new ATOM 0 HA ASP A 60 14.488 0.707 3.313 1.00 0.12 H new ATOM 0 HB2 ASP A 60 12.926 2.767 4.933 1.00 0.14 H new ATOM 0 HB3 ASP A 60 14.565 2.349 5.392 1.00 0.14 H new ATOM 939 N ASP A 61 12.585 -0.188 5.860 1.00 0.13 N ATOM 940 CA ASP A 61 12.562 -1.197 6.975 1.00 0.15 C ATOM 941 C ASP A 61 11.911 -2.475 6.455 1.00 0.14 C ATOM 942 O ASP A 61 11.995 -3.527 7.058 1.00 0.19 O ATOM 943 CB ASP A 61 11.764 -0.652 8.168 1.00 0.16 C ATOM 944 CG ASP A 61 12.477 0.581 8.730 1.00 0.19 C ATOM 945 OD1 ASP A 61 13.426 1.025 8.105 1.00 1.01 O ATOM 946 OD2 ASP A 61 12.064 1.057 9.775 1.00 1.07 O ATOM 0 H ASP A 61 11.727 0.351 5.740 1.00 0.13 H new ATOM 0 HA ASP A 61 13.579 -1.403 7.308 1.00 0.15 H new ATOM 0 HB2 ASP A 61 10.753 -0.391 7.856 1.00 0.16 H new ATOM 0 HB3 ASP A 61 11.672 -1.417 8.939 1.00 0.16 H new ATOM 951 N ALA A 62 11.268 -2.379 5.319 1.00 0.11 N ATOM 952 CA ALA A 62 10.606 -3.562 4.697 1.00 0.12 C ATOM 953 C ALA A 62 11.131 -3.690 3.267 1.00 0.11 C ATOM 954 O ALA A 62 10.398 -3.965 2.337 1.00 0.12 O ATOM 955 CB ALA A 62 9.082 -3.361 4.700 1.00 0.14 C ATOM 0 H ALA A 62 11.173 -1.513 4.788 1.00 0.11 H new ATOM 0 HA ALA A 62 10.827 -4.471 5.256 1.00 0.12 H new ATOM 0 HB1 ALA A 62 8.600 -4.226 4.245 1.00 0.14 H new ATOM 0 HB2 ALA A 62 8.732 -3.248 5.726 1.00 0.14 H new ATOM 0 HB3 ALA A 62 8.832 -2.466 4.131 1.00 0.14 H new ATOM 961 N GLN A 63 12.398 -3.459 3.096 1.00 0.11 N ATOM 962 CA GLN A 63 13.010 -3.525 1.741 1.00 0.12 C ATOM 963 C GLN A 63 12.825 -4.924 1.152 1.00 0.12 C ATOM 964 O GLN A 63 12.826 -5.101 -0.046 1.00 0.14 O ATOM 965 CB GLN A 63 14.504 -3.199 1.855 1.00 0.13 C ATOM 966 CG GLN A 63 15.225 -4.335 2.588 1.00 0.15 C ATOM 967 CD GLN A 63 16.643 -3.893 2.953 1.00 0.77 C ATOM 968 OE1 GLN A 63 16.953 -3.701 4.111 1.00 1.47 O ATOM 969 NE2 GLN A 63 17.525 -3.729 2.005 1.00 1.43 N ATOM 0 H GLN A 63 13.047 -3.224 3.847 1.00 0.11 H new ATOM 0 HA GLN A 63 12.525 -2.803 1.083 1.00 0.12 H new ATOM 0 HB2 GLN A 63 14.933 -3.063 0.862 1.00 0.13 H new ATOM 0 HB3 GLN A 63 14.642 -2.261 2.393 1.00 0.13 H new ATOM 0 HG2 GLN A 63 14.675 -4.607 3.489 1.00 0.15 H new ATOM 0 HG3 GLN A 63 15.261 -5.223 1.957 1.00 0.15 H new ATOM 0 HE21 GLN A 63 17.264 -3.890 1.032 1.00 1.43 H new ATOM 0 HE22 GLN A 63 18.475 -3.439 2.237 1.00 1.43 H new ATOM 978 N ASP A 64 12.667 -5.922 1.973 1.00 0.13 N ATOM 979 CA ASP A 64 12.481 -7.291 1.428 1.00 0.13 C ATOM 980 C ASP A 64 11.159 -7.360 0.661 1.00 0.15 C ATOM 981 O ASP A 64 11.068 -7.975 -0.383 1.00 0.16 O ATOM 982 CB ASP A 64 12.485 -8.308 2.575 1.00 0.17 C ATOM 983 CG ASP A 64 11.519 -7.867 3.674 1.00 0.21 C ATOM 984 OD1 ASP A 64 10.356 -7.682 3.373 1.00 1.05 O ATOM 985 OD2 ASP A 64 11.963 -7.733 4.802 1.00 1.02 O ATOM 0 H ASP A 64 12.659 -5.849 2.990 1.00 0.13 H new ATOM 0 HA ASP A 64 13.298 -7.528 0.747 1.00 0.13 H new ATOM 0 HB2 ASP A 64 12.198 -9.291 2.201 1.00 0.17 H new ATOM 0 HB3 ASP A 64 13.491 -8.404 2.982 1.00 0.17 H new ATOM 990 N VAL A 65 10.134 -6.725 1.162 1.00 0.17 N ATOM 991 CA VAL A 65 8.823 -6.754 0.458 1.00 0.22 C ATOM 992 C VAL A 65 8.914 -5.938 -0.835 1.00 0.22 C ATOM 993 O VAL A 65 8.431 -6.340 -1.875 1.00 0.26 O ATOM 994 CB VAL A 65 7.762 -6.106 1.357 1.00 0.26 C ATOM 995 CG1 VAL A 65 6.370 -6.356 0.772 1.00 0.35 C ATOM 996 CG2 VAL A 65 7.849 -6.678 2.780 1.00 0.32 C ATOM 0 H VAL A 65 10.149 -6.188 2.029 1.00 0.17 H new ATOM 0 HA VAL A 65 8.559 -7.787 0.230 1.00 0.22 H new ATOM 0 HB VAL A 65 7.943 -5.032 1.404 1.00 0.26 H new ATOM 0 HG11 VAL A 65 5.618 -5.895 1.412 1.00 0.35 H new ATOM 0 HG12 VAL A 65 6.312 -5.923 -0.226 1.00 0.35 H new ATOM 0 HG13 VAL A 65 6.187 -7.429 0.713 1.00 0.35 H new ATOM 0 HG21 VAL A 65 7.091 -6.210 3.407 1.00 0.32 H new ATOM 0 HG22 VAL A 65 7.681 -7.755 2.750 1.00 0.32 H new ATOM 0 HG23 VAL A 65 8.837 -6.476 3.193 1.00 0.32 H new ATOM 1006 N ALA A 66 9.515 -4.781 -0.760 1.00 0.19 N ATOM 1007 CA ALA A 66 9.634 -3.904 -1.958 1.00 0.22 C ATOM 1008 C ALA A 66 10.666 -4.465 -2.945 1.00 0.23 C ATOM 1009 O ALA A 66 10.511 -4.358 -4.146 1.00 0.26 O ATOM 1010 CB ALA A 66 10.052 -2.499 -1.506 1.00 0.25 C ATOM 0 H ALA A 66 9.933 -4.403 0.090 1.00 0.19 H new ATOM 0 HA ALA A 66 8.670 -3.861 -2.466 1.00 0.22 H new ATOM 0 HB1 ALA A 66 10.142 -1.849 -2.376 1.00 0.25 H new ATOM 0 HB2 ALA A 66 9.300 -2.096 -0.828 1.00 0.25 H new ATOM 0 HB3 ALA A 66 11.012 -2.553 -0.992 1.00 0.25 H new ATOM 1016 N SER A 67 11.726 -5.040 -2.451 1.00 0.21 N ATOM 1017 CA SER A 67 12.769 -5.585 -3.365 1.00 0.23 C ATOM 1018 C SER A 67 12.155 -6.668 -4.256 1.00 0.23 C ATOM 1019 O SER A 67 12.486 -6.792 -5.419 1.00 0.24 O ATOM 1020 CB SER A 67 13.903 -6.190 -2.535 1.00 0.23 C ATOM 1021 OG SER A 67 13.402 -7.294 -1.792 1.00 0.22 O ATOM 0 H SER A 67 11.916 -5.156 -1.456 1.00 0.21 H new ATOM 0 HA SER A 67 13.161 -4.782 -3.990 1.00 0.23 H new ATOM 0 HB2 SER A 67 14.714 -6.514 -3.187 1.00 0.23 H new ATOM 0 HB3 SER A 67 14.316 -5.440 -1.861 1.00 0.23 H new ATOM 0 HG SER A 67 12.479 -7.112 -1.518 1.00 0.22 H new ATOM 1027 N GLU A 68 11.258 -7.445 -3.722 1.00 0.23 N ATOM 1028 CA GLU A 68 10.612 -8.515 -4.533 1.00 0.25 C ATOM 1029 C GLU A 68 9.820 -7.882 -5.676 1.00 0.22 C ATOM 1030 O GLU A 68 9.747 -8.420 -6.763 1.00 0.24 O ATOM 1031 CB GLU A 68 9.667 -9.329 -3.639 1.00 0.29 C ATOM 1032 CG GLU A 68 9.150 -10.569 -4.389 1.00 0.32 C ATOM 1033 CD GLU A 68 8.123 -10.161 -5.449 1.00 1.27 C ATOM 1034 OE1 GLU A 68 7.549 -9.094 -5.315 1.00 2.06 O ATOM 1035 OE2 GLU A 68 7.926 -10.929 -6.377 1.00 1.96 O ATOM 0 H GLU A 68 10.942 -7.386 -2.754 1.00 0.23 H new ATOM 0 HA GLU A 68 11.377 -9.172 -4.947 1.00 0.25 H new ATOM 0 HB2 GLU A 68 10.189 -9.636 -2.733 1.00 0.29 H new ATOM 0 HB3 GLU A 68 8.827 -8.708 -3.328 1.00 0.29 H new ATOM 0 HG2 GLU A 68 9.983 -11.090 -4.862 1.00 0.32 H new ATOM 0 HG3 GLU A 68 8.697 -11.266 -3.684 1.00 0.32 H new ATOM 1042 N ALA A 69 9.196 -6.761 -5.434 1.00 0.20 N ATOM 1043 CA ALA A 69 8.379 -6.113 -6.505 1.00 0.20 C ATOM 1044 C ALA A 69 9.252 -5.234 -7.407 1.00 0.19 C ATOM 1045 O ALA A 69 8.762 -4.627 -8.336 1.00 0.20 O ATOM 1046 CB ALA A 69 7.287 -5.258 -5.864 1.00 0.23 C ATOM 0 H ALA A 69 9.215 -6.265 -4.543 1.00 0.20 H new ATOM 0 HA ALA A 69 7.930 -6.895 -7.117 1.00 0.20 H new ATOM 0 HB1 ALA A 69 6.691 -4.785 -6.644 1.00 0.23 H new ATOM 0 HB2 ALA A 69 6.645 -5.889 -5.249 1.00 0.23 H new ATOM 0 HB3 ALA A 69 7.745 -4.490 -5.241 1.00 0.23 H new ATOM 1052 N GLU A 70 10.530 -5.154 -7.151 1.00 0.18 N ATOM 1053 CA GLU A 70 11.403 -4.305 -8.016 1.00 0.18 C ATOM 1054 C GLU A 70 10.844 -2.883 -8.081 1.00 0.17 C ATOM 1055 O GLU A 70 10.697 -2.318 -9.147 1.00 0.18 O ATOM 1056 CB GLU A 70 11.471 -4.877 -9.441 1.00 0.22 C ATOM 1057 CG GLU A 70 12.262 -6.184 -9.447 1.00 0.24 C ATOM 1058 CD GLU A 70 11.448 -7.293 -8.777 1.00 1.24 C ATOM 1059 OE1 GLU A 70 10.233 -7.208 -8.803 1.00 2.02 O ATOM 1060 OE2 GLU A 70 12.056 -8.215 -8.254 1.00 2.02 O ATOM 0 H GLU A 70 11.005 -5.635 -6.387 1.00 0.18 H new ATOM 0 HA GLU A 70 12.404 -4.293 -7.584 1.00 0.18 H new ATOM 0 HB2 GLU A 70 10.464 -5.051 -9.819 1.00 0.22 H new ATOM 0 HB3 GLU A 70 11.942 -4.155 -10.108 1.00 0.22 H new ATOM 0 HG2 GLU A 70 12.504 -6.467 -10.471 1.00 0.24 H new ATOM 0 HG3 GLU A 70 13.208 -6.048 -8.922 1.00 0.24 H new ATOM 1067 N VAL A 71 10.532 -2.290 -6.961 1.00 0.15 N ATOM 1068 CA VAL A 71 9.979 -0.907 -7.004 1.00 0.14 C ATOM 1069 C VAL A 71 11.077 0.048 -7.482 1.00 0.14 C ATOM 1070 O VAL A 71 12.211 -0.023 -7.047 1.00 0.16 O ATOM 1071 CB VAL A 71 9.508 -0.487 -5.610 1.00 0.13 C ATOM 1072 CG1 VAL A 71 8.797 0.864 -5.707 1.00 0.14 C ATOM 1073 CG2 VAL A 71 8.535 -1.533 -5.056 1.00 0.15 C ATOM 0 H VAL A 71 10.634 -2.696 -6.031 1.00 0.15 H new ATOM 0 HA VAL A 71 9.130 -0.874 -7.687 1.00 0.14 H new ATOM 0 HB VAL A 71 10.368 -0.407 -4.945 1.00 0.13 H new ATOM 0 HG11 VAL A 71 8.459 1.169 -4.717 1.00 0.14 H new ATOM 0 HG12 VAL A 71 9.487 1.611 -6.101 1.00 0.14 H new ATOM 0 HG13 VAL A 71 7.938 0.776 -6.373 1.00 0.14 H new ATOM 0 HG21 VAL A 71 8.202 -1.230 -4.063 1.00 0.15 H new ATOM 0 HG22 VAL A 71 7.673 -1.615 -5.718 1.00 0.15 H new ATOM 0 HG23 VAL A 71 9.037 -2.499 -4.992 1.00 0.15 H new ATOM 1083 N LYS A 72 10.748 0.926 -8.396 1.00 0.15 N ATOM 1084 CA LYS A 72 11.757 1.884 -8.937 1.00 0.16 C ATOM 1085 C LYS A 72 11.507 3.294 -8.387 1.00 0.15 C ATOM 1086 O LYS A 72 12.335 4.172 -8.531 1.00 0.16 O ATOM 1087 CB LYS A 72 11.645 1.921 -10.466 1.00 0.19 C ATOM 1088 CG LYS A 72 11.931 0.531 -11.066 1.00 0.23 C ATOM 1089 CD LYS A 72 13.441 0.271 -11.105 1.00 0.74 C ATOM 1090 CE LYS A 72 13.718 -0.968 -11.955 1.00 0.88 C ATOM 1091 NZ LYS A 72 13.322 -0.694 -13.363 1.00 1.60 N ATOM 0 H LYS A 72 9.813 1.020 -8.794 1.00 0.15 H new ATOM 0 HA LYS A 72 12.752 1.555 -8.636 1.00 0.16 H new ATOM 0 HB2 LYS A 72 10.646 2.249 -10.755 1.00 0.19 H new ATOM 0 HB3 LYS A 72 12.349 2.649 -10.870 1.00 0.19 H new ATOM 0 HG2 LYS A 72 11.438 -0.238 -10.472 1.00 0.23 H new ATOM 0 HG3 LYS A 72 11.518 0.470 -12.073 1.00 0.23 H new ATOM 0 HD2 LYS A 72 13.960 1.135 -11.521 1.00 0.74 H new ATOM 0 HD3 LYS A 72 13.823 0.126 -10.094 1.00 0.74 H new ATOM 0 HE2 LYS A 72 14.775 -1.228 -11.906 1.00 0.88 H new ATOM 0 HE3 LYS A 72 13.161 -1.821 -11.568 1.00 0.88 H new ATOM 0 HZ1 LYS A 72 13.911 -1.260 -14.006 1.00 1.60 H new ATOM 0 HZ2 LYS A 72 12.322 -0.946 -13.498 1.00 1.60 H new ATOM 0 HZ3 LYS A 72 13.455 0.316 -13.571 1.00 1.60 H new ATOM 1105 N ALA A 73 10.377 3.532 -7.771 1.00 0.13 N ATOM 1106 CA ALA A 73 10.109 4.903 -7.237 1.00 0.13 C ATOM 1107 C ALA A 73 8.993 4.862 -6.178 1.00 0.11 C ATOM 1108 O ALA A 73 8.129 4.010 -6.202 1.00 0.12 O ATOM 1109 CB ALA A 73 9.701 5.818 -8.412 1.00 0.14 C ATOM 0 H ALA A 73 9.637 2.847 -7.616 1.00 0.13 H new ATOM 0 HA ALA A 73 11.008 5.292 -6.760 1.00 0.13 H new ATOM 0 HB1 ALA A 73 9.502 6.823 -8.039 1.00 0.14 H new ATOM 0 HB2 ALA A 73 10.510 5.856 -9.142 1.00 0.14 H new ATOM 0 HB3 ALA A 73 8.803 5.423 -8.886 1.00 0.14 H new ATOM 1115 N THR A 74 9.006 5.808 -5.263 1.00 0.11 N ATOM 1116 CA THR A 74 7.954 5.878 -4.197 1.00 0.11 C ATOM 1117 C THR A 74 7.322 7.283 -4.248 1.00 0.12 C ATOM 1118 O THR A 74 7.971 8.213 -4.672 1.00 0.15 O ATOM 1119 CB THR A 74 8.641 5.676 -2.832 1.00 0.12 C ATOM 1120 OG1 THR A 74 9.426 6.815 -2.533 1.00 0.15 O ATOM 1121 CG2 THR A 74 9.541 4.448 -2.882 1.00 0.14 C ATOM 0 H THR A 74 9.711 6.543 -5.211 1.00 0.11 H new ATOM 0 HA THR A 74 7.188 5.116 -4.344 1.00 0.11 H new ATOM 0 HB THR A 74 7.881 5.535 -2.064 1.00 0.12 H new ATOM 0 HG1 THR A 74 9.864 6.692 -1.665 1.00 0.15 H new ATOM 0 HG21 THR A 74 10.024 4.311 -1.914 1.00 0.14 H new ATOM 0 HG22 THR A 74 8.943 3.568 -3.117 1.00 0.14 H new ATOM 0 HG23 THR A 74 10.302 4.585 -3.650 1.00 0.14 H new ATOM 1129 N PRO A 75 6.100 7.469 -3.787 1.00 0.13 N ATOM 1130 CA PRO A 75 5.242 6.374 -3.251 1.00 0.10 C ATOM 1131 C PRO A 75 4.640 5.505 -4.359 1.00 0.09 C ATOM 1132 O PRO A 75 4.279 5.989 -5.416 1.00 0.10 O ATOM 1133 CB PRO A 75 4.153 7.165 -2.506 1.00 0.12 C ATOM 1134 CG PRO A 75 4.131 8.584 -3.094 1.00 0.15 C ATOM 1135 CD PRO A 75 5.487 8.830 -3.781 1.00 0.16 C ATOM 0 HA PRO A 75 5.788 5.666 -2.628 1.00 0.10 H new ATOM 0 HB2 PRO A 75 3.181 6.685 -2.625 1.00 0.12 H new ATOM 0 HB3 PRO A 75 4.365 7.196 -1.437 1.00 0.12 H new ATOM 0 HG2 PRO A 75 3.316 8.688 -3.810 1.00 0.15 H new ATOM 0 HG3 PRO A 75 3.962 9.320 -2.308 1.00 0.15 H new ATOM 0 HD2 PRO A 75 5.365 9.224 -4.790 1.00 0.16 H new ATOM 0 HD3 PRO A 75 6.096 9.547 -3.230 1.00 0.16 H new ATOM 1143 N THR A 76 4.498 4.228 -4.101 1.00 0.09 N ATOM 1144 CA THR A 76 3.887 3.301 -5.107 1.00 0.09 C ATOM 1145 C THR A 76 2.789 2.497 -4.427 1.00 0.10 C ATOM 1146 O THR A 76 2.965 1.970 -3.345 1.00 0.12 O ATOM 1147 CB THR A 76 4.942 2.353 -5.678 1.00 0.10 C ATOM 1148 OG1 THR A 76 5.972 3.112 -6.290 1.00 0.11 O ATOM 1149 CG2 THR A 76 4.296 1.427 -6.715 1.00 0.13 C ATOM 0 H THR A 76 4.782 3.783 -3.228 1.00 0.09 H new ATOM 0 HA THR A 76 3.472 3.885 -5.928 1.00 0.09 H new ATOM 0 HB THR A 76 5.364 1.750 -4.874 1.00 0.10 H new ATOM 0 HG1 THR A 76 6.780 3.072 -5.737 1.00 0.11 H new ATOM 0 HG21 THR A 76 5.050 0.752 -7.120 1.00 0.13 H new ATOM 0 HG22 THR A 76 3.506 0.845 -6.241 1.00 0.13 H new ATOM 0 HG23 THR A 76 3.872 2.024 -7.522 1.00 0.13 H new ATOM 1157 N PHE A 77 1.648 2.424 -5.047 1.00 0.10 N ATOM 1158 CA PHE A 77 0.502 1.675 -4.456 1.00 0.10 C ATOM 1159 C PHE A 77 0.251 0.413 -5.280 1.00 0.10 C ATOM 1160 O PHE A 77 0.141 0.466 -6.490 1.00 0.10 O ATOM 1161 CB PHE A 77 -0.737 2.571 -4.507 1.00 0.13 C ATOM 1162 CG PHE A 77 -0.459 3.829 -3.720 1.00 0.14 C ATOM 1163 CD1 PHE A 77 -0.679 3.864 -2.339 1.00 0.18 C ATOM 1164 CD2 PHE A 77 0.038 4.961 -4.381 1.00 0.14 C ATOM 1165 CE1 PHE A 77 -0.402 5.032 -1.616 1.00 0.20 C ATOM 1166 CE2 PHE A 77 0.314 6.130 -3.661 1.00 0.16 C ATOM 1167 CZ PHE A 77 0.095 6.166 -2.277 1.00 0.19 C ATOM 0 H PHE A 77 1.455 2.856 -5.951 1.00 0.10 H new ATOM 0 HA PHE A 77 0.721 1.396 -3.425 1.00 0.10 H new ATOM 0 HB2 PHE A 77 -0.982 2.818 -5.540 1.00 0.13 H new ATOM 0 HB3 PHE A 77 -1.598 2.048 -4.091 1.00 0.13 H new ATOM 0 HD1 PHE A 77 -1.062 2.992 -1.830 1.00 0.18 H new ATOM 0 HD2 PHE A 77 0.208 4.931 -5.447 1.00 0.14 H new ATOM 0 HE1 PHE A 77 -0.571 5.060 -0.550 1.00 0.20 H new ATOM 0 HE2 PHE A 77 0.695 7.002 -4.171 1.00 0.16 H new ATOM 0 HZ PHE A 77 0.309 7.066 -1.719 1.00 0.19 H new ATOM 1177 N GLN A 78 0.135 -0.719 -4.633 1.00 0.09 N ATOM 1178 CA GLN A 78 -0.130 -1.992 -5.373 1.00 0.09 C ATOM 1179 C GLN A 78 -1.401 -2.613 -4.833 1.00 0.08 C ATOM 1180 O GLN A 78 -1.660 -2.610 -3.646 1.00 0.09 O ATOM 1181 CB GLN A 78 1.036 -2.962 -5.193 1.00 0.09 C ATOM 1182 CG GLN A 78 2.257 -2.433 -5.956 1.00 0.12 C ATOM 1183 CD GLN A 78 3.348 -3.504 -5.992 1.00 0.15 C ATOM 1184 OE1 GLN A 78 3.101 -4.653 -5.683 1.00 0.27 O ATOM 1185 NE2 GLN A 78 4.557 -3.173 -6.363 1.00 0.29 N ATOM 0 H GLN A 78 0.213 -0.817 -3.621 1.00 0.09 H new ATOM 0 HA GLN A 78 -0.241 -1.779 -6.436 1.00 0.09 H new ATOM 0 HB2 GLN A 78 1.273 -3.071 -4.135 1.00 0.09 H new ATOM 0 HB3 GLN A 78 0.762 -3.950 -5.562 1.00 0.09 H new ATOM 0 HG2 GLN A 78 1.972 -2.157 -6.971 1.00 0.12 H new ATOM 0 HG3 GLN A 78 2.635 -1.531 -5.475 1.00 0.12 H new ATOM 0 HE21 GLN A 78 4.765 -2.209 -6.622 1.00 0.29 H new ATOM 0 HE22 GLN A 78 5.293 -3.879 -6.393 1.00 0.29 H new ATOM 1194 N PHE A 79 -2.205 -3.137 -5.707 1.00 0.07 N ATOM 1195 CA PHE A 79 -3.492 -3.758 -5.279 1.00 0.07 C ATOM 1196 C PHE A 79 -3.403 -5.267 -5.378 1.00 0.07 C ATOM 1197 O PHE A 79 -2.982 -5.810 -6.377 1.00 0.08 O ATOM 1198 CB PHE A 79 -4.600 -3.245 -6.187 1.00 0.08 C ATOM 1199 CG PHE A 79 -4.737 -1.766 -5.956 1.00 0.09 C ATOM 1200 CD1 PHE A 79 -3.839 -0.880 -6.561 1.00 0.08 C ATOM 1201 CD2 PHE A 79 -5.742 -1.282 -5.117 1.00 0.12 C ATOM 1202 CE1 PHE A 79 -3.948 0.492 -6.329 1.00 0.09 C ATOM 1203 CE2 PHE A 79 -5.850 0.092 -4.880 1.00 0.14 C ATOM 1204 CZ PHE A 79 -4.954 0.979 -5.486 1.00 0.12 C ATOM 0 H PHE A 79 -2.028 -3.164 -6.711 1.00 0.07 H new ATOM 0 HA PHE A 79 -3.703 -3.493 -4.243 1.00 0.07 H new ATOM 0 HB2 PHE A 79 -4.362 -3.448 -7.231 1.00 0.08 H new ATOM 0 HB3 PHE A 79 -5.539 -3.754 -5.969 1.00 0.08 H new ATOM 0 HD1 PHE A 79 -3.061 -1.258 -7.208 1.00 0.08 H new ATOM 0 HD2 PHE A 79 -6.435 -1.967 -4.652 1.00 0.12 H new ATOM 0 HE1 PHE A 79 -3.258 1.177 -6.799 1.00 0.09 H new ATOM 0 HE2 PHE A 79 -6.625 0.468 -4.229 1.00 0.14 H new ATOM 0 HZ PHE A 79 -5.038 2.040 -5.303 1.00 0.12 H new ATOM 1214 N PHE A 80 -3.816 -5.944 -4.341 1.00 0.08 N ATOM 1215 CA PHE A 80 -3.789 -7.431 -4.328 1.00 0.08 C ATOM 1216 C PHE A 80 -5.179 -7.954 -3.987 1.00 0.09 C ATOM 1217 O PHE A 80 -5.915 -7.346 -3.235 1.00 0.12 O ATOM 1218 CB PHE A 80 -2.784 -7.924 -3.278 1.00 0.09 C ATOM 1219 CG PHE A 80 -1.373 -7.688 -3.758 1.00 0.10 C ATOM 1220 CD1 PHE A 80 -0.716 -6.482 -3.471 1.00 0.11 C ATOM 1221 CD2 PHE A 80 -0.709 -8.696 -4.472 1.00 0.12 C ATOM 1222 CE1 PHE A 80 0.601 -6.285 -3.901 1.00 0.13 C ATOM 1223 CE2 PHE A 80 0.610 -8.499 -4.897 1.00 0.14 C ATOM 1224 CZ PHE A 80 1.265 -7.294 -4.612 1.00 0.15 C ATOM 0 H PHE A 80 -4.177 -5.519 -3.487 1.00 0.08 H new ATOM 0 HA PHE A 80 -3.488 -7.797 -5.310 1.00 0.08 H new ATOM 0 HB2 PHE A 80 -2.947 -7.403 -2.335 1.00 0.09 H new ATOM 0 HB3 PHE A 80 -2.938 -8.986 -3.086 1.00 0.09 H new ATOM 0 HD1 PHE A 80 -1.226 -5.707 -2.919 1.00 0.11 H new ATOM 0 HD2 PHE A 80 -1.215 -9.624 -4.694 1.00 0.12 H new ATOM 0 HE1 PHE A 80 1.106 -5.355 -3.685 1.00 0.13 H new ATOM 0 HE2 PHE A 80 1.123 -9.276 -5.445 1.00 0.14 H new ATOM 0 HZ PHE A 80 2.283 -7.142 -4.940 1.00 0.15 H new ATOM 1234 N LYS A 81 -5.539 -9.088 -4.522 1.00 0.09 N ATOM 1235 CA LYS A 81 -6.878 -9.668 -4.219 1.00 0.12 C ATOM 1236 C LYS A 81 -6.734 -11.188 -4.236 1.00 0.11 C ATOM 1237 O LYS A 81 -6.234 -11.751 -5.186 1.00 0.13 O ATOM 1238 CB LYS A 81 -7.883 -9.224 -5.290 1.00 0.17 C ATOM 1239 CG LYS A 81 -9.305 -9.390 -4.754 1.00 0.26 C ATOM 1240 CD LYS A 81 -10.318 -9.073 -5.859 1.00 0.73 C ATOM 1241 CE LYS A 81 -11.703 -8.882 -5.239 1.00 1.02 C ATOM 1242 NZ LYS A 81 -12.144 -10.160 -4.609 1.00 1.68 N ATOM 0 H LYS A 81 -4.962 -9.639 -5.157 1.00 0.09 H new ATOM 0 HA LYS A 81 -7.238 -9.330 -3.247 1.00 0.12 H new ATOM 0 HB2 LYS A 81 -7.705 -8.184 -5.562 1.00 0.17 H new ATOM 0 HB3 LYS A 81 -7.752 -9.817 -6.195 1.00 0.17 H new ATOM 0 HG2 LYS A 81 -9.451 -10.409 -4.396 1.00 0.26 H new ATOM 0 HG3 LYS A 81 -9.462 -8.727 -3.903 1.00 0.26 H new ATOM 0 HD2 LYS A 81 -10.019 -8.171 -6.394 1.00 0.73 H new ATOM 0 HD3 LYS A 81 -10.342 -9.883 -6.588 1.00 0.73 H new ATOM 0 HE2 LYS A 81 -11.673 -8.087 -4.493 1.00 1.02 H new ATOM 0 HE3 LYS A 81 -12.417 -8.575 -6.004 1.00 1.02 H new ATOM 0 HZ1 LYS A 81 -13.134 -10.350 -4.865 1.00 1.68 H new ATOM 0 HZ2 LYS A 81 -11.544 -10.939 -4.947 1.00 1.68 H new ATOM 0 HZ3 LYS A 81 -12.062 -10.084 -3.575 1.00 1.68 H new ATOM 1256 N LYS A 82 -7.124 -11.847 -3.183 1.00 0.12 N ATOM 1257 CA LYS A 82 -6.972 -13.330 -3.132 1.00 0.13 C ATOM 1258 C LYS A 82 -5.478 -13.638 -3.285 1.00 0.13 C ATOM 1259 O LYS A 82 -5.093 -14.675 -3.787 1.00 0.17 O ATOM 1260 CB LYS A 82 -7.767 -14.025 -4.253 1.00 0.16 C ATOM 1261 CG LYS A 82 -9.268 -13.749 -4.095 1.00 0.20 C ATOM 1262 CD LYS A 82 -10.060 -14.752 -4.945 1.00 0.32 C ATOM 1263 CE LYS A 82 -11.515 -14.295 -5.072 1.00 0.31 C ATOM 1264 NZ LYS A 82 -12.293 -15.318 -5.835 1.00 1.22 N ATOM 0 H LYS A 82 -7.542 -11.425 -2.354 1.00 0.12 H new ATOM 0 HA LYS A 82 -7.363 -13.705 -2.186 1.00 0.13 H new ATOM 0 HB2 LYS A 82 -7.426 -13.668 -5.225 1.00 0.16 H new ATOM 0 HB3 LYS A 82 -7.583 -15.099 -4.225 1.00 0.16 H new ATOM 0 HG2 LYS A 82 -9.557 -13.834 -3.047 1.00 0.20 H new ATOM 0 HG3 LYS A 82 -9.497 -12.730 -4.407 1.00 0.20 H new ATOM 0 HD2 LYS A 82 -9.610 -14.839 -5.934 1.00 0.32 H new ATOM 0 HD3 LYS A 82 -10.019 -15.741 -4.488 1.00 0.32 H new ATOM 0 HE2 LYS A 82 -11.951 -14.154 -4.083 1.00 0.31 H new ATOM 0 HE3 LYS A 82 -11.562 -13.332 -5.581 1.00 0.31 H new ATOM 0 HZ1 LYS A 82 -13.282 -15.008 -5.922 1.00 1.22 H new ATOM 0 HZ2 LYS A 82 -11.881 -15.431 -6.783 1.00 1.22 H new ATOM 0 HZ3 LYS A 82 -12.258 -16.227 -5.332 1.00 1.22 H new ATOM 1278 N GLY A 83 -4.635 -12.728 -2.866 1.00 0.13 N ATOM 1279 CA GLY A 83 -3.166 -12.940 -2.989 1.00 0.16 C ATOM 1280 C GLY A 83 -2.724 -12.718 -4.440 1.00 0.16 C ATOM 1281 O GLY A 83 -1.641 -13.113 -4.824 1.00 0.23 O ATOM 0 H GLY A 83 -4.907 -11.841 -2.441 1.00 0.13 H new ATOM 0 HA2 GLY A 83 -2.635 -12.254 -2.329 1.00 0.16 H new ATOM 0 HA3 GLY A 83 -2.908 -13.951 -2.672 1.00 0.16 H new ATOM 1285 N GLN A 84 -3.550 -12.086 -5.246 1.00 0.12 N ATOM 1286 CA GLN A 84 -3.180 -11.841 -6.684 1.00 0.15 C ATOM 1287 C GLN A 84 -3.050 -10.340 -6.955 1.00 0.12 C ATOM 1288 O GLN A 84 -3.919 -9.573 -6.616 1.00 0.13 O ATOM 1289 CB GLN A 84 -4.281 -12.384 -7.611 1.00 0.20 C ATOM 1290 CG GLN A 84 -4.499 -13.887 -7.386 1.00 0.33 C ATOM 1291 CD GLN A 84 -3.228 -14.658 -7.729 1.00 0.97 C ATOM 1292 OE1 GLN A 84 -2.237 -14.641 -6.890 1.00 0.95 O flip ATOM 1293 NE2 GLN A 84 -3.139 -15.287 -8.764 1.00 2.07 N flip ATOM 0 H GLN A 84 -4.465 -11.729 -4.971 1.00 0.12 H new ATOM 0 HA GLN A 84 -2.232 -12.344 -6.874 1.00 0.15 H new ATOM 0 HB2 GLN A 84 -5.212 -11.847 -7.429 1.00 0.20 H new ATOM 0 HB3 GLN A 84 -4.007 -12.204 -8.651 1.00 0.20 H new ATOM 0 HG2 GLN A 84 -4.776 -14.071 -6.348 1.00 0.33 H new ATOM 0 HG3 GLN A 84 -5.325 -14.239 -8.004 1.00 0.33 H new ATOM 0 HE21 GLN A 84 -3.918 -15.299 -9.422 1.00 2.07 H new ATOM 0 HE22 GLN A 84 -2.285 -15.803 -8.975 1.00 2.07 H new ATOM 1302 N LYS A 85 -1.992 -9.922 -7.612 1.00 0.12 N ATOM 1303 CA LYS A 85 -1.835 -8.469 -7.937 1.00 0.12 C ATOM 1304 C LYS A 85 -2.746 -8.152 -9.114 1.00 0.14 C ATOM 1305 O LYS A 85 -2.674 -8.786 -10.148 1.00 0.21 O ATOM 1306 CB LYS A 85 -0.381 -8.184 -8.326 1.00 0.17 C ATOM 1307 CG LYS A 85 -0.192 -6.676 -8.562 1.00 0.20 C ATOM 1308 CD LYS A 85 1.253 -6.384 -9.016 1.00 0.28 C ATOM 1309 CE LYS A 85 1.384 -6.554 -10.536 1.00 1.28 C ATOM 1310 NZ LYS A 85 0.568 -5.515 -11.228 1.00 1.82 N ATOM 0 H LYS A 85 -1.234 -10.523 -7.936 1.00 0.12 H new ATOM 0 HA LYS A 85 -2.096 -7.856 -7.075 1.00 0.12 H new ATOM 0 HB2 LYS A 85 0.290 -8.525 -7.537 1.00 0.17 H new ATOM 0 HB3 LYS A 85 -0.121 -8.738 -9.228 1.00 0.17 H new ATOM 0 HG2 LYS A 85 -0.896 -6.328 -9.318 1.00 0.20 H new ATOM 0 HG3 LYS A 85 -0.411 -6.127 -7.646 1.00 0.20 H new ATOM 0 HD2 LYS A 85 1.531 -5.369 -8.732 1.00 0.28 H new ATOM 0 HD3 LYS A 85 1.943 -7.058 -8.508 1.00 0.28 H new ATOM 0 HE2 LYS A 85 2.429 -6.467 -10.833 1.00 1.28 H new ATOM 0 HE3 LYS A 85 1.050 -7.549 -10.831 1.00 1.28 H new ATOM 0 HZ1 LYS A 85 0.968 -5.330 -12.170 1.00 1.82 H new ATOM 0 HZ2 LYS A 85 -0.411 -5.852 -11.327 1.00 1.82 H new ATOM 0 HZ3 LYS A 85 0.577 -4.638 -10.670 1.00 1.82 H new ATOM 1324 N VAL A 86 -3.621 -7.190 -8.956 1.00 0.13 N ATOM 1325 CA VAL A 86 -4.567 -6.836 -10.057 1.00 0.18 C ATOM 1326 C VAL A 86 -4.426 -5.356 -10.414 1.00 0.17 C ATOM 1327 O VAL A 86 -5.238 -4.803 -11.129 1.00 0.22 O ATOM 1328 CB VAL A 86 -5.992 -7.118 -9.585 1.00 0.25 C ATOM 1329 CG1 VAL A 86 -6.152 -8.620 -9.323 1.00 0.30 C ATOM 1330 CG2 VAL A 86 -6.263 -6.344 -8.292 1.00 0.26 C ATOM 0 H VAL A 86 -3.720 -6.633 -8.108 1.00 0.13 H new ATOM 0 HA VAL A 86 -4.341 -7.431 -10.942 1.00 0.18 H new ATOM 0 HB VAL A 86 -6.700 -6.803 -10.352 1.00 0.25 H new ATOM 0 HG11 VAL A 86 -7.168 -8.824 -8.986 1.00 0.30 H new ATOM 0 HG12 VAL A 86 -5.957 -9.172 -10.242 1.00 0.30 H new ATOM 0 HG13 VAL A 86 -5.445 -8.933 -8.554 1.00 0.30 H new ATOM 0 HG21 VAL A 86 -7.280 -6.544 -7.954 1.00 0.26 H new ATOM 0 HG22 VAL A 86 -5.557 -6.660 -7.524 1.00 0.26 H new ATOM 0 HG23 VAL A 86 -6.146 -5.276 -8.476 1.00 0.26 H new ATOM 1340 N GLY A 87 -3.404 -4.700 -9.929 1.00 0.14 N ATOM 1341 CA GLY A 87 -3.246 -3.258 -10.270 1.00 0.17 C ATOM 1342 C GLY A 87 -2.036 -2.649 -9.558 1.00 0.12 C ATOM 1343 O GLY A 87 -1.604 -3.117 -8.523 1.00 0.17 O ATOM 0 H GLY A 87 -2.684 -5.093 -9.322 1.00 0.14 H new ATOM 0 HA2 GLY A 87 -3.130 -3.147 -11.348 1.00 0.17 H new ATOM 0 HA3 GLY A 87 -4.148 -2.714 -9.989 1.00 0.17 H new ATOM 1347 N GLU A 88 -1.506 -1.590 -10.111 1.00 0.11 N ATOM 1348 CA GLU A 88 -0.338 -0.897 -9.494 1.00 0.13 C ATOM 1349 C GLU A 88 -0.157 0.464 -10.153 1.00 0.11 C ATOM 1350 O GLU A 88 -0.420 0.637 -11.327 1.00 0.14 O ATOM 1351 CB GLU A 88 0.934 -1.746 -9.664 1.00 0.21 C ATOM 1352 CG GLU A 88 2.183 -0.944 -9.260 1.00 0.58 C ATOM 1353 CD GLU A 88 2.636 -0.041 -10.415 1.00 1.13 C ATOM 1354 OE1 GLU A 88 2.028 -0.101 -11.470 1.00 1.93 O ATOM 1355 OE2 GLU A 88 3.593 0.694 -10.223 1.00 1.87 O ATOM 0 H GLU A 88 -1.839 -1.170 -10.979 1.00 0.11 H new ATOM 0 HA GLU A 88 -0.519 -0.760 -8.428 1.00 0.13 H new ATOM 0 HB2 GLU A 88 0.861 -2.646 -9.053 1.00 0.21 H new ATOM 0 HB3 GLU A 88 1.024 -2.071 -10.701 1.00 0.21 H new ATOM 0 HG2 GLU A 88 1.965 -0.338 -8.380 1.00 0.58 H new ATOM 0 HG3 GLU A 88 2.988 -1.626 -8.986 1.00 0.58 H new ATOM 1362 N PHE A 89 0.316 1.423 -9.413 1.00 0.10 N ATOM 1363 CA PHE A 89 0.548 2.770 -10.005 1.00 0.09 C ATOM 1364 C PHE A 89 1.444 3.588 -9.077 1.00 0.10 C ATOM 1365 O PHE A 89 1.566 3.302 -7.903 1.00 0.10 O ATOM 1366 CB PHE A 89 -0.793 3.478 -10.249 1.00 0.11 C ATOM 1367 CG PHE A 89 -1.369 4.051 -8.968 1.00 0.10 C ATOM 1368 CD1 PHE A 89 -0.863 5.247 -8.451 1.00 0.11 C ATOM 1369 CD2 PHE A 89 -2.429 3.404 -8.321 1.00 0.12 C ATOM 1370 CE1 PHE A 89 -1.418 5.804 -7.291 1.00 0.13 C ATOM 1371 CE2 PHE A 89 -2.980 3.953 -7.156 1.00 0.13 C ATOM 1372 CZ PHE A 89 -2.477 5.158 -6.643 1.00 0.14 C ATOM 0 H PHE A 89 0.552 1.335 -8.425 1.00 0.10 H new ATOM 0 HA PHE A 89 1.051 2.665 -10.967 1.00 0.09 H new ATOM 0 HB2 PHE A 89 -0.654 4.279 -10.975 1.00 0.11 H new ATOM 0 HB3 PHE A 89 -1.502 2.773 -10.683 1.00 0.11 H new ATOM 0 HD1 PHE A 89 -0.042 5.743 -8.947 1.00 0.11 H new ATOM 0 HD2 PHE A 89 -2.822 2.481 -8.721 1.00 0.12 H new ATOM 0 HE1 PHE A 89 -1.029 6.731 -6.897 1.00 0.13 H new ATOM 0 HE2 PHE A 89 -3.792 3.449 -6.653 1.00 0.13 H new ATOM 0 HZ PHE A 89 -2.906 5.586 -5.749 1.00 0.14 H new ATOM 1382 N SER A 90 2.083 4.599 -9.608 1.00 0.10 N ATOM 1383 CA SER A 90 2.997 5.455 -8.788 1.00 0.10 C ATOM 1384 C SER A 90 2.610 6.914 -8.932 1.00 0.09 C ATOM 1385 O SER A 90 1.931 7.304 -9.864 1.00 0.11 O ATOM 1386 CB SER A 90 4.438 5.295 -9.264 1.00 0.11 C ATOM 1387 OG SER A 90 4.525 5.690 -10.628 1.00 0.12 O ATOM 0 H SER A 90 2.010 4.872 -10.588 1.00 0.10 H new ATOM 0 HA SER A 90 2.911 5.144 -7.747 1.00 0.10 H new ATOM 0 HB2 SER A 90 5.105 5.903 -8.653 1.00 0.11 H new ATOM 0 HB3 SER A 90 4.758 4.259 -9.151 1.00 0.11 H new ATOM 0 HG SER A 90 5.449 5.591 -10.939 1.00 0.12 H new ATOM 1393 N GLY A 91 3.053 7.727 -8.013 1.00 0.09 N ATOM 1394 CA GLY A 91 2.744 9.184 -8.067 1.00 0.09 C ATOM 1395 C GLY A 91 2.068 9.610 -6.768 1.00 0.10 C ATOM 1396 O GLY A 91 1.276 8.887 -6.199 1.00 0.12 O ATOM 0 H GLY A 91 3.623 7.440 -7.217 1.00 0.09 H new ATOM 0 HA2 GLY A 91 3.660 9.755 -8.217 1.00 0.09 H new ATOM 0 HA3 GLY A 91 2.093 9.397 -8.915 1.00 0.09 H new ATOM 1400 N ALA A 92 2.383 10.779 -6.289 1.00 0.11 N ATOM 1401 CA ALA A 92 1.768 11.250 -5.022 1.00 0.14 C ATOM 1402 C ALA A 92 0.329 11.727 -5.289 1.00 0.13 C ATOM 1403 O ALA A 92 0.008 12.886 -5.112 1.00 0.17 O ATOM 1404 CB ALA A 92 2.616 12.410 -4.475 1.00 0.18 C ATOM 0 H ALA A 92 3.040 11.428 -6.721 1.00 0.11 H new ATOM 0 HA ALA A 92 1.735 10.439 -4.294 1.00 0.14 H new ATOM 0 HB1 ALA A 92 2.181 12.771 -3.543 1.00 0.18 H new ATOM 0 HB2 ALA A 92 3.632 12.062 -4.290 1.00 0.18 H new ATOM 0 HB3 ALA A 92 2.637 13.220 -5.204 1.00 0.18 H new ATOM 1410 N ASN A 93 -0.547 10.827 -5.682 1.00 0.12 N ATOM 1411 CA ASN A 93 -1.980 11.204 -5.927 1.00 0.14 C ATOM 1412 C ASN A 93 -2.863 10.380 -4.989 1.00 0.13 C ATOM 1413 O ASN A 93 -3.282 9.287 -5.312 1.00 0.14 O ATOM 1414 CB ASN A 93 -2.365 10.904 -7.375 1.00 0.16 C ATOM 1415 CG ASN A 93 -3.756 11.487 -7.648 1.00 0.20 C ATOM 1416 OD1 ASN A 93 -4.707 11.180 -6.952 1.00 0.88 O ATOM 1417 ND2 ASN A 93 -3.920 12.310 -8.643 1.00 0.75 N ATOM 0 H ASN A 93 -0.329 9.844 -5.844 1.00 0.12 H new ATOM 0 HA ASN A 93 -2.115 12.270 -5.742 1.00 0.14 H new ATOM 0 HB2 ASN A 93 -1.634 11.337 -8.057 1.00 0.16 H new ATOM 0 HB3 ASN A 93 -2.366 9.828 -7.550 1.00 0.16 H new ATOM 0 HD21 ASN A 93 -4.844 12.696 -8.838 1.00 0.75 H new ATOM 0 HD22 ASN A 93 -3.125 12.569 -9.227 1.00 0.75 H new ATOM 1424 N LYS A 94 -3.143 10.889 -3.826 1.00 0.14 N ATOM 1425 CA LYS A 94 -3.983 10.126 -2.862 1.00 0.15 C ATOM 1426 C LYS A 94 -5.409 9.920 -3.396 1.00 0.15 C ATOM 1427 O LYS A 94 -6.021 8.898 -3.160 1.00 0.15 O ATOM 1428 CB LYS A 94 -3.983 10.855 -1.511 1.00 0.18 C ATOM 1429 CG LYS A 94 -4.802 12.151 -1.550 1.00 0.18 C ATOM 1430 CD LYS A 94 -4.082 13.221 -2.368 1.00 0.24 C ATOM 1431 CE LYS A 94 -4.721 14.588 -2.093 1.00 0.59 C ATOM 1432 NZ LYS A 94 -4.165 15.163 -0.836 1.00 1.06 N ATOM 0 H LYS A 94 -2.827 11.802 -3.499 1.00 0.14 H new ATOM 0 HA LYS A 94 -3.559 9.131 -2.728 1.00 0.15 H new ATOM 0 HB2 LYS A 94 -4.388 10.195 -0.744 1.00 0.18 H new ATOM 0 HB3 LYS A 94 -2.957 11.085 -1.224 1.00 0.18 H new ATOM 0 HG2 LYS A 94 -5.783 11.954 -1.983 1.00 0.18 H new ATOM 0 HG3 LYS A 94 -4.968 12.513 -0.535 1.00 0.18 H new ATOM 0 HD2 LYS A 94 -3.024 13.243 -2.108 1.00 0.24 H new ATOM 0 HD3 LYS A 94 -4.144 12.985 -3.430 1.00 0.24 H new ATOM 0 HE2 LYS A 94 -4.531 15.263 -2.927 1.00 0.59 H new ATOM 0 HE3 LYS A 94 -5.803 14.483 -2.008 1.00 0.59 H new ATOM 0 HZ1 LYS A 94 -4.091 16.196 -0.930 1.00 1.06 H new ATOM 0 HZ2 LYS A 94 -4.794 14.932 -0.041 1.00 1.06 H new ATOM 0 HZ3 LYS A 94 -3.221 14.763 -0.659 1.00 1.06 H new ATOM 1446 N GLU A 95 -5.946 10.870 -4.109 1.00 0.15 N ATOM 1447 CA GLU A 95 -7.331 10.710 -4.637 1.00 0.15 C ATOM 1448 C GLU A 95 -7.392 9.513 -5.592 1.00 0.15 C ATOM 1449 O GLU A 95 -8.409 8.868 -5.734 1.00 0.16 O ATOM 1450 CB GLU A 95 -7.719 11.980 -5.395 1.00 0.17 C ATOM 1451 CG GLU A 95 -7.662 13.180 -4.448 1.00 0.19 C ATOM 1452 CD GLU A 95 -8.826 13.109 -3.457 1.00 0.86 C ATOM 1453 OE1 GLU A 95 -9.959 13.060 -3.909 1.00 1.55 O ATOM 1454 OE2 GLU A 95 -8.567 13.112 -2.265 1.00 1.61 O ATOM 0 H GLU A 95 -5.488 11.749 -4.349 1.00 0.15 H new ATOM 0 HA GLU A 95 -8.019 10.540 -3.809 1.00 0.15 H new ATOM 0 HB2 GLU A 95 -7.043 12.135 -6.236 1.00 0.17 H new ATOM 0 HB3 GLU A 95 -8.722 11.877 -5.808 1.00 0.17 H new ATOM 0 HG2 GLU A 95 -6.714 13.187 -3.911 1.00 0.19 H new ATOM 0 HG3 GLU A 95 -7.712 14.108 -5.018 1.00 0.19 H new ATOM 1461 N LYS A 96 -6.307 9.231 -6.255 1.00 0.14 N ATOM 1462 CA LYS A 96 -6.267 8.095 -7.225 1.00 0.15 C ATOM 1463 C LYS A 96 -6.547 6.794 -6.488 1.00 0.14 C ATOM 1464 O LYS A 96 -7.137 5.876 -7.018 1.00 0.15 O ATOM 1465 CB LYS A 96 -4.876 8.046 -7.837 1.00 0.16 C ATOM 1466 CG LYS A 96 -4.839 7.098 -9.036 1.00 0.21 C ATOM 1467 CD LYS A 96 -3.526 7.318 -9.794 1.00 0.25 C ATOM 1468 CE LYS A 96 -3.449 6.355 -10.984 1.00 0.82 C ATOM 1469 NZ LYS A 96 -3.416 4.952 -10.484 1.00 1.45 N ATOM 0 H LYS A 96 -5.431 9.746 -6.167 1.00 0.14 H new ATOM 0 HA LYS A 96 -7.017 8.231 -8.004 1.00 0.15 H new ATOM 0 HB2 LYS A 96 -4.577 9.046 -8.150 1.00 0.16 H new ATOM 0 HB3 LYS A 96 -4.156 7.718 -7.087 1.00 0.16 H new ATOM 0 HG2 LYS A 96 -4.914 6.063 -8.702 1.00 0.21 H new ATOM 0 HG3 LYS A 96 -5.690 7.284 -9.692 1.00 0.21 H new ATOM 0 HD2 LYS A 96 -3.465 8.349 -10.143 1.00 0.25 H new ATOM 0 HD3 LYS A 96 -2.679 7.156 -9.128 1.00 0.25 H new ATOM 0 HE2 LYS A 96 -4.308 6.499 -11.639 1.00 0.82 H new ATOM 0 HE3 LYS A 96 -2.558 6.562 -11.577 1.00 0.82 H new ATOM 0 HZ1 LYS A 96 -3.161 4.312 -11.263 1.00 1.45 H new ATOM 0 HZ2 LYS A 96 -2.711 4.871 -9.724 1.00 1.45 H new ATOM 0 HZ3 LYS A 96 -4.353 4.693 -10.115 1.00 1.45 H new ATOM 1483 N LEU A 97 -6.131 6.713 -5.265 1.00 0.13 N ATOM 1484 CA LEU A 97 -6.379 5.480 -4.478 1.00 0.13 C ATOM 1485 C LEU A 97 -7.882 5.260 -4.400 1.00 0.14 C ATOM 1486 O LEU A 97 -8.374 4.153 -4.477 1.00 0.15 O ATOM 1487 CB LEU A 97 -5.871 5.687 -3.054 1.00 0.13 C ATOM 1488 CG LEU A 97 -4.335 5.714 -3.013 1.00 0.14 C ATOM 1489 CD1 LEU A 97 -3.880 6.351 -1.690 1.00 0.19 C ATOM 1490 CD2 LEU A 97 -3.762 4.274 -3.135 1.00 0.19 C ATOM 0 H LEU A 97 -5.627 7.450 -4.771 1.00 0.13 H new ATOM 0 HA LEU A 97 -5.876 4.633 -4.946 1.00 0.13 H new ATOM 0 HB2 LEU A 97 -6.265 6.622 -2.656 1.00 0.13 H new ATOM 0 HB3 LEU A 97 -6.241 4.887 -2.413 1.00 0.13 H new ATOM 0 HG LEU A 97 -3.963 6.302 -3.852 1.00 0.14 H new ATOM 0 HD11 LEU A 97 -2.791 6.374 -1.653 1.00 0.19 H new ATOM 0 HD12 LEU A 97 -4.267 7.368 -1.624 1.00 0.19 H new ATOM 0 HD13 LEU A 97 -4.259 5.763 -0.854 1.00 0.19 H new ATOM 0 HD21 LEU A 97 -2.673 4.312 -3.104 1.00 0.19 H new ATOM 0 HD22 LEU A 97 -4.127 3.666 -2.308 1.00 0.19 H new ATOM 0 HD23 LEU A 97 -4.083 3.833 -4.079 1.00 0.19 H new ATOM 1502 N GLU A 98 -8.605 6.326 -4.232 1.00 0.14 N ATOM 1503 CA GLU A 98 -10.087 6.213 -4.117 1.00 0.15 C ATOM 1504 C GLU A 98 -10.679 5.620 -5.391 1.00 0.16 C ATOM 1505 O GLU A 98 -11.588 4.815 -5.341 1.00 0.18 O ATOM 1506 CB GLU A 98 -10.685 7.608 -3.899 1.00 0.18 C ATOM 1507 CG GLU A 98 -12.199 7.499 -3.660 1.00 0.21 C ATOM 1508 CD GLU A 98 -12.464 6.714 -2.372 1.00 1.28 C ATOM 1509 OE1 GLU A 98 -12.523 7.339 -1.328 1.00 2.00 O ATOM 1510 OE2 GLU A 98 -12.592 5.502 -2.452 1.00 2.10 O ATOM 0 H GLU A 98 -8.236 7.275 -4.169 1.00 0.14 H new ATOM 0 HA GLU A 98 -10.323 5.561 -3.276 1.00 0.15 H new ATOM 0 HB2 GLU A 98 -10.207 8.088 -3.045 1.00 0.18 H new ATOM 0 HB3 GLU A 98 -10.490 8.236 -4.768 1.00 0.18 H new ATOM 0 HG2 GLU A 98 -12.638 8.494 -3.587 1.00 0.21 H new ATOM 0 HG3 GLU A 98 -12.675 7.001 -4.505 1.00 0.21 H new ATOM 1517 N ALA A 99 -10.202 6.024 -6.531 1.00 0.16 N ATOM 1518 CA ALA A 99 -10.782 5.497 -7.796 1.00 0.17 C ATOM 1519 C ALA A 99 -10.457 4.015 -7.993 1.00 0.16 C ATOM 1520 O ALA A 99 -11.304 3.245 -8.402 1.00 0.17 O ATOM 1521 CB ALA A 99 -10.249 6.306 -8.977 1.00 0.19 C ATOM 0 H ALA A 99 -9.440 6.693 -6.644 1.00 0.16 H new ATOM 0 HA ALA A 99 -11.866 5.594 -7.737 1.00 0.17 H new ATOM 0 HB1 ALA A 99 -10.674 5.920 -9.904 1.00 0.19 H new ATOM 0 HB2 ALA A 99 -10.530 7.352 -8.857 1.00 0.19 H new ATOM 0 HB3 ALA A 99 -9.163 6.224 -9.014 1.00 0.19 H new ATOM 1527 N THR A 100 -9.245 3.601 -7.739 1.00 0.16 N ATOM 1528 CA THR A 100 -8.908 2.163 -7.957 1.00 0.16 C ATOM 1529 C THR A 100 -9.668 1.288 -6.949 1.00 0.15 C ATOM 1530 O THR A 100 -10.106 0.194 -7.259 1.00 0.15 O ATOM 1531 CB THR A 100 -7.401 1.942 -7.814 1.00 0.17 C ATOM 1532 OG1 THR A 100 -6.706 2.869 -8.634 1.00 0.19 O ATOM 1533 CG2 THR A 100 -7.053 0.513 -8.247 1.00 0.20 C ATOM 0 H THR A 100 -8.483 4.185 -7.395 1.00 0.16 H new ATOM 0 HA THR A 100 -9.206 1.882 -8.967 1.00 0.16 H new ATOM 0 HB THR A 100 -7.108 2.089 -6.774 1.00 0.17 H new ATOM 0 HG1 THR A 100 -5.741 2.728 -8.541 1.00 0.19 H new ATOM 0 HG21 THR A 100 -5.979 0.353 -8.146 1.00 0.20 H new ATOM 0 HG22 THR A 100 -7.587 -0.198 -7.617 1.00 0.20 H new ATOM 0 HG23 THR A 100 -7.345 0.367 -9.287 1.00 0.20 H new ATOM 1541 N ILE A 101 -9.839 1.765 -5.749 1.00 0.14 N ATOM 1542 CA ILE A 101 -10.578 0.965 -4.739 1.00 0.13 C ATOM 1543 C ILE A 101 -12.012 0.791 -5.221 1.00 0.14 C ATOM 1544 O ILE A 101 -12.541 -0.300 -5.268 1.00 0.14 O ATOM 1545 CB ILE A 101 -10.565 1.710 -3.396 1.00 0.14 C ATOM 1546 CG1 ILE A 101 -9.144 1.646 -2.808 1.00 0.14 C ATOM 1547 CG2 ILE A 101 -11.564 1.055 -2.430 1.00 0.15 C ATOM 1548 CD1 ILE A 101 -8.981 2.701 -1.722 1.00 0.16 C ATOM 0 H ILE A 101 -9.500 2.671 -5.426 1.00 0.14 H new ATOM 0 HA ILE A 101 -10.110 -0.011 -4.608 1.00 0.13 H new ATOM 0 HB ILE A 101 -10.854 2.750 -3.545 1.00 0.14 H new ATOM 0 HG12 ILE A 101 -8.957 0.655 -2.395 1.00 0.14 H new ATOM 0 HG13 ILE A 101 -8.408 1.807 -3.596 1.00 0.14 H new ATOM 0 HG21 ILE A 101 -11.552 1.586 -1.478 1.00 0.15 H new ATOM 0 HG22 ILE A 101 -12.566 1.099 -2.857 1.00 0.15 H new ATOM 0 HG23 ILE A 101 -11.284 0.014 -2.268 1.00 0.15 H new ATOM 0 HD11 ILE A 101 -7.973 2.648 -1.312 1.00 0.16 H new ATOM 0 HD12 ILE A 101 -9.148 3.690 -2.148 1.00 0.16 H new ATOM 0 HD13 ILE A 101 -9.706 2.521 -0.928 1.00 0.16 H new ATOM 1560 N ASN A 102 -12.639 1.864 -5.595 1.00 0.17 N ATOM 1561 CA ASN A 102 -14.031 1.769 -6.091 1.00 0.20 C ATOM 1562 C ASN A 102 -14.040 0.867 -7.315 1.00 0.19 C ATOM 1563 O ASN A 102 -14.987 0.152 -7.581 1.00 0.20 O ATOM 1564 CB ASN A 102 -14.541 3.162 -6.465 1.00 0.25 C ATOM 1565 CG ASN A 102 -16.040 3.103 -6.737 1.00 0.31 C ATOM 1566 OD1 ASN A 102 -16.747 2.314 -6.142 1.00 0.95 O ATOM 1567 ND2 ASN A 102 -16.561 3.921 -7.608 1.00 0.55 N ATOM 0 H ASN A 102 -12.246 2.805 -5.578 1.00 0.17 H new ATOM 0 HA ASN A 102 -14.680 1.357 -5.319 1.00 0.20 H new ATOM 0 HB2 ASN A 102 -14.335 3.864 -5.657 1.00 0.25 H new ATOM 0 HB3 ASN A 102 -14.015 3.528 -7.347 1.00 0.25 H new ATOM 0 HD21 ASN A 102 -17.564 3.900 -7.791 1.00 0.55 H new ATOM 0 HD22 ASN A 102 -15.966 4.582 -8.106 1.00 0.55 H new ATOM 1574 N GLU A 103 -12.995 0.927 -8.079 1.00 0.18 N ATOM 1575 CA GLU A 103 -12.918 0.105 -9.311 1.00 0.18 C ATOM 1576 C GLU A 103 -12.811 -1.384 -8.955 1.00 0.16 C ATOM 1577 O GLU A 103 -13.401 -2.226 -9.604 1.00 0.18 O ATOM 1578 CB GLU A 103 -11.679 0.532 -10.101 1.00 0.19 C ATOM 1579 CG GLU A 103 -11.707 -0.078 -11.511 1.00 0.21 C ATOM 1580 CD GLU A 103 -11.419 -1.576 -11.435 1.00 1.34 C ATOM 1581 OE1 GLU A 103 -10.350 -1.919 -10.971 1.00 2.21 O ATOM 1582 OE2 GLU A 103 -12.268 -2.350 -11.846 1.00 2.04 O ATOM 0 H GLU A 103 -12.181 1.516 -7.902 1.00 0.18 H new ATOM 0 HA GLU A 103 -13.819 0.254 -9.906 1.00 0.18 H new ATOM 0 HB2 GLU A 103 -11.640 1.619 -10.169 1.00 0.19 H new ATOM 0 HB3 GLU A 103 -10.778 0.213 -9.577 1.00 0.19 H new ATOM 0 HG2 GLU A 103 -12.681 0.091 -11.971 1.00 0.21 H new ATOM 0 HG3 GLU A 103 -10.967 0.412 -12.143 1.00 0.21 H new ATOM 1589 N LEU A 104 -12.053 -1.717 -7.941 1.00 0.14 N ATOM 1590 CA LEU A 104 -11.888 -3.158 -7.550 1.00 0.14 C ATOM 1591 C LEU A 104 -12.804 -3.525 -6.371 1.00 0.13 C ATOM 1592 O LEU A 104 -12.837 -4.664 -5.952 1.00 0.15 O ATOM 1593 CB LEU A 104 -10.430 -3.408 -7.140 1.00 0.14 C ATOM 1594 CG LEU A 104 -9.487 -3.217 -8.332 1.00 0.16 C ATOM 1595 CD1 LEU A 104 -8.039 -3.279 -7.831 1.00 0.17 C ATOM 1596 CD2 LEU A 104 -9.713 -4.323 -9.384 1.00 0.25 C ATOM 0 H LEU A 104 -11.538 -1.053 -7.363 1.00 0.14 H new ATOM 0 HA LEU A 104 -12.158 -3.775 -8.407 1.00 0.14 H new ATOM 0 HB2 LEU A 104 -10.151 -2.725 -6.338 1.00 0.14 H new ATOM 0 HB3 LEU A 104 -10.327 -4.420 -6.748 1.00 0.14 H new ATOM 0 HG LEU A 104 -9.687 -2.251 -8.796 1.00 0.16 H new ATOM 0 HD11 LEU A 104 -7.357 -3.144 -8.671 1.00 0.17 H new ATOM 0 HD12 LEU A 104 -7.873 -2.489 -7.099 1.00 0.17 H new ATOM 0 HD13 LEU A 104 -7.856 -4.248 -7.367 1.00 0.17 H new ATOM 0 HD21 LEU A 104 -9.034 -4.171 -10.223 1.00 0.25 H new ATOM 0 HD22 LEU A 104 -9.521 -5.297 -8.934 1.00 0.25 H new ATOM 0 HD23 LEU A 104 -10.743 -4.283 -9.738 1.00 0.25 H new ATOM 1608 N VAL A 105 -13.541 -2.595 -5.820 1.00 0.14 N ATOM 1609 CA VAL A 105 -14.423 -2.955 -4.666 1.00 0.15 C ATOM 1610 C VAL A 105 -15.510 -3.926 -5.148 1.00 0.16 C ATOM 1611 O VAL A 105 -16.056 -4.637 -4.319 1.00 1.08 O ATOM 1612 CB VAL A 105 -15.083 -1.696 -4.073 1.00 0.17 C ATOM 1613 CG1 VAL A 105 -16.192 -1.178 -5.006 1.00 0.21 C ATOM 1614 CG2 VAL A 105 -15.685 -2.039 -2.703 1.00 0.19 C ATOM 1615 OXT VAL A 105 -15.780 -3.939 -6.338 1.00 1.08 O ATOM 0 H VAL A 105 -13.572 -1.618 -6.112 1.00 0.14 H new ATOM 0 HA VAL A 105 -13.818 -3.426 -3.891 1.00 0.15 H new ATOM 0 HB VAL A 105 -14.327 -0.918 -3.964 1.00 0.17 H new ATOM 0 HG11 VAL A 105 -16.647 -0.288 -4.571 1.00 0.21 H new ATOM 0 HG12 VAL A 105 -15.764 -0.929 -5.977 1.00 0.21 H new ATOM 0 HG13 VAL A 105 -16.952 -1.950 -5.132 1.00 0.21 H new ATOM 0 HG21 VAL A 105 -16.154 -1.151 -2.279 1.00 0.19 H new ATOM 0 HG22 VAL A 105 -16.433 -2.823 -2.820 1.00 0.19 H new ATOM 0 HG23 VAL A 105 -14.896 -2.387 -2.036 1.00 0.19 H new TER 1625 VAL A 105 ATOM 1626 N PRO B 59 14.698 17.851 -13.287 1.00 1.11 N ATOM 1627 CA PRO B 59 14.765 16.374 -13.493 1.00 1.14 C ATOM 1628 C PRO B 59 14.297 15.588 -12.258 1.00 1.00 C ATOM 1629 O PRO B 59 13.754 14.508 -12.375 1.00 1.04 O ATOM 1630 CB PRO B 59 16.253 16.118 -13.778 1.00 1.33 C ATOM 1631 CG PRO B 59 16.770 17.403 -14.350 1.00 1.46 C ATOM 1632 CD PRO B 59 15.925 18.528 -13.738 1.00 1.26 C ATOM 0 HA PRO B 59 14.107 16.043 -14.297 1.00 1.14 H new ATOM 0 HB2 PRO B 59 16.788 15.849 -12.867 1.00 1.33 H new ATOM 0 HB3 PRO B 59 16.384 15.294 -14.479 1.00 1.33 H new ATOM 0 HG2 PRO B 59 17.825 17.537 -14.110 1.00 1.46 H new ATOM 0 HG3 PRO B 59 16.687 17.404 -15.437 1.00 1.46 H new ATOM 0 HD2 PRO B 59 16.443 19.009 -12.908 1.00 1.26 H new ATOM 0 HD3 PRO B 59 15.705 19.305 -14.470 1.00 1.26 H new ATOM 1640 N ALA B 60 14.484 16.127 -11.079 1.00 0.88 N ATOM 1641 CA ALA B 60 14.028 15.412 -9.844 1.00 0.76 C ATOM 1642 C ALA B 60 12.623 15.889 -9.490 1.00 0.61 C ATOM 1643 O ALA B 60 12.385 17.069 -9.324 1.00 0.61 O ATOM 1644 CB ALA B 60 14.974 15.721 -8.681 1.00 0.78 C ATOM 0 H ALA B 60 14.932 17.029 -10.917 1.00 0.88 H new ATOM 0 HA ALA B 60 14.027 14.337 -10.026 1.00 0.76 H new ATOM 0 HB1 ALA B 60 14.635 15.197 -7.787 1.00 0.78 H new ATOM 0 HB2 ALA B 60 15.982 15.392 -8.934 1.00 0.78 H new ATOM 0 HB3 ALA B 60 14.980 16.794 -8.492 1.00 0.78 H new ATOM 1650 N THR B 61 11.685 14.984 -9.376 1.00 0.54 N ATOM 1651 CA THR B 61 10.284 15.388 -9.042 1.00 0.44 C ATOM 1652 C THR B 61 10.020 15.157 -7.549 1.00 0.34 C ATOM 1653 O THR B 61 10.281 14.095 -7.019 1.00 0.32 O ATOM 1654 CB THR B 61 9.316 14.540 -9.873 1.00 0.51 C ATOM 1655 OG1 THR B 61 9.681 14.622 -11.245 1.00 0.70 O ATOM 1656 CG2 THR B 61 7.888 15.060 -9.695 1.00 0.47 C ATOM 0 H THR B 61 11.828 13.982 -9.500 1.00 0.54 H new ATOM 0 HA THR B 61 10.140 16.445 -9.267 1.00 0.44 H new ATOM 0 HB THR B 61 9.365 13.503 -9.540 1.00 0.51 H new ATOM 0 HG1 THR B 61 9.065 14.079 -11.780 1.00 0.70 H new ATOM 0 HG21 THR B 61 7.203 14.454 -10.288 1.00 0.47 H new ATOM 0 HG22 THR B 61 7.608 15.000 -8.643 1.00 0.47 H new ATOM 0 HG23 THR B 61 7.834 16.097 -10.027 1.00 0.47 H new ATOM 1664 N LEU B 62 9.502 16.150 -6.872 1.00 0.34 N ATOM 1665 CA LEU B 62 9.208 16.003 -5.414 1.00 0.32 C ATOM 1666 C LEU B 62 8.061 15.006 -5.214 1.00 0.23 C ATOM 1667 O LEU B 62 7.979 14.330 -4.208 1.00 0.25 O ATOM 1668 CB LEU B 62 8.797 17.360 -4.832 1.00 0.40 C ATOM 1669 CG LEU B 62 10.006 18.309 -4.778 1.00 0.50 C ATOM 1670 CD1 LEU B 62 9.518 19.723 -4.436 1.00 0.61 C ATOM 1671 CD2 LEU B 62 11.016 17.836 -3.710 1.00 0.55 C ATOM 0 H LEU B 62 9.269 17.061 -7.268 1.00 0.34 H new ATOM 0 HA LEU B 62 10.102 15.640 -4.907 1.00 0.32 H new ATOM 0 HB2 LEU B 62 8.008 17.800 -5.442 1.00 0.40 H new ATOM 0 HB3 LEU B 62 8.388 17.225 -3.831 1.00 0.40 H new ATOM 0 HG LEU B 62 10.503 18.311 -5.748 1.00 0.50 H new ATOM 0 HD11 LEU B 62 10.370 20.402 -4.396 1.00 0.61 H new ATOM 0 HD12 LEU B 62 8.820 20.062 -5.201 1.00 0.61 H new ATOM 0 HD13 LEU B 62 9.018 19.711 -3.468 1.00 0.61 H new ATOM 0 HD21 LEU B 62 11.865 18.519 -3.685 1.00 0.55 H new ATOM 0 HD22 LEU B 62 10.533 17.822 -2.733 1.00 0.55 H new ATOM 0 HD23 LEU B 62 11.364 16.833 -3.957 1.00 0.55 H new ATOM 1683 N LYS B 63 7.165 14.933 -6.159 1.00 0.19 N ATOM 1684 CA LYS B 63 6.000 14.007 -6.042 1.00 0.14 C ATOM 1685 C LYS B 63 6.497 12.564 -5.945 1.00 0.12 C ATOM 1686 O LYS B 63 5.762 11.669 -5.567 1.00 0.12 O ATOM 1687 CB LYS B 63 5.123 14.150 -7.290 1.00 0.17 C ATOM 1688 CG LYS B 63 4.622 15.595 -7.436 1.00 0.20 C ATOM 1689 CD LYS B 63 3.894 16.052 -6.162 1.00 0.40 C ATOM 1690 CE LYS B 63 2.971 17.231 -6.486 1.00 0.35 C ATOM 1691 NZ LYS B 63 2.256 17.653 -5.250 1.00 1.31 N ATOM 0 H LYS B 63 7.190 15.482 -7.018 1.00 0.19 H new ATOM 0 HA LYS B 63 5.426 14.255 -5.149 1.00 0.14 H new ATOM 0 HB2 LYS B 63 5.692 13.865 -8.175 1.00 0.17 H new ATOM 0 HB3 LYS B 63 4.274 13.470 -7.224 1.00 0.17 H new ATOM 0 HG2 LYS B 63 5.464 16.258 -7.637 1.00 0.20 H new ATOM 0 HG3 LYS B 63 3.949 15.667 -8.290 1.00 0.20 H new ATOM 0 HD2 LYS B 63 3.314 15.227 -5.748 1.00 0.40 H new ATOM 0 HD3 LYS B 63 4.619 16.344 -5.403 1.00 0.40 H new ATOM 0 HE2 LYS B 63 3.552 18.063 -6.885 1.00 0.35 H new ATOM 0 HE3 LYS B 63 2.253 16.945 -7.255 1.00 0.35 H new ATOM 0 HZ1 LYS B 63 1.629 18.453 -5.468 1.00 1.31 H new ATOM 0 HZ2 LYS B 63 1.691 16.859 -4.888 1.00 1.31 H new ATOM 0 HZ3 LYS B 63 2.948 17.942 -4.530 1.00 1.31 H new ATOM 1705 N ILE B 64 7.735 12.340 -6.313 1.00 0.11 N ATOM 1706 CA ILE B 64 8.334 10.963 -6.268 1.00 0.11 C ATOM 1707 C ILE B 64 9.676 11.017 -5.513 1.00 0.10 C ATOM 1708 O ILE B 64 10.454 11.931 -5.701 1.00 0.11 O ATOM 1709 CB ILE B 64 8.617 10.484 -7.700 1.00 0.12 C ATOM 1710 CG1 ILE B 64 7.306 10.286 -8.483 1.00 0.15 C ATOM 1711 CG2 ILE B 64 9.405 9.171 -7.668 1.00 0.13 C ATOM 1712 CD1 ILE B 64 6.377 9.290 -7.769 1.00 0.15 C ATOM 0 H ILE B 64 8.369 13.065 -6.649 1.00 0.11 H new ATOM 0 HA ILE B 64 7.640 10.287 -5.769 1.00 0.11 H new ATOM 0 HB ILE B 64 9.208 11.249 -8.204 1.00 0.12 H new ATOM 0 HG12 ILE B 64 6.798 11.244 -8.596 1.00 0.15 H new ATOM 0 HG13 ILE B 64 7.530 9.924 -9.486 1.00 0.15 H new ATOM 0 HG21 ILE B 64 9.601 8.839 -8.688 1.00 0.13 H new ATOM 0 HG22 ILE B 64 10.351 9.327 -7.149 1.00 0.13 H new ATOM 0 HG23 ILE B 64 8.825 8.411 -7.144 1.00 0.13 H new ATOM 0 HD11 ILE B 64 5.460 9.171 -8.345 1.00 0.15 H new ATOM 0 HD12 ILE B 64 6.877 8.326 -7.679 1.00 0.15 H new ATOM 0 HD13 ILE B 64 6.135 9.667 -6.775 1.00 0.15 H new ATOM 1724 N CYS B 65 9.974 10.034 -4.691 1.00 0.09 N ATOM 1725 CA CYS B 65 11.292 10.023 -3.978 1.00 0.10 C ATOM 1726 C CYS B 65 12.231 9.095 -4.768 1.00 0.10 C ATOM 1727 O CYS B 65 11.858 7.999 -5.133 1.00 0.11 O ATOM 1728 CB CYS B 65 11.142 9.493 -2.537 1.00 0.10 C ATOM 1729 SG CYS B 65 9.624 10.126 -1.774 1.00 0.19 S ATOM 0 H CYS B 65 9.363 9.243 -4.485 1.00 0.09 H new ATOM 0 HA CYS B 65 11.688 11.037 -3.918 1.00 0.10 H new ATOM 0 HB2 CYS B 65 11.123 8.403 -2.546 1.00 0.10 H new ATOM 0 HB3 CYS B 65 12.005 9.792 -1.943 1.00 0.10 H new ATOM 1734 N SER B 66 13.432 9.522 -5.062 1.00 0.12 N ATOM 1735 CA SER B 66 14.356 8.647 -5.858 1.00 0.14 C ATOM 1736 C SER B 66 15.044 7.605 -4.965 1.00 0.14 C ATOM 1737 O SER B 66 15.462 7.889 -3.860 1.00 0.15 O ATOM 1738 CB SER B 66 15.421 9.512 -6.533 1.00 0.18 C ATOM 1739 OG SER B 66 14.785 10.446 -7.397 1.00 0.20 O ATOM 0 H SER B 66 13.814 10.428 -4.791 1.00 0.12 H new ATOM 0 HA SER B 66 13.764 8.122 -6.608 1.00 0.14 H new ATOM 0 HB2 SER B 66 16.011 10.037 -5.781 1.00 0.18 H new ATOM 0 HB3 SER B 66 16.111 8.886 -7.099 1.00 0.18 H new ATOM 0 HG SER B 66 15.463 11.004 -7.831 1.00 0.20 H new ATOM 1745 N TRP B 67 15.186 6.398 -5.455 1.00 0.15 N ATOM 1746 CA TRP B 67 15.865 5.335 -4.655 1.00 0.16 C ATOM 1747 C TRP B 67 17.373 5.589 -4.635 1.00 0.19 C ATOM 1748 O TRP B 67 18.105 4.976 -3.885 1.00 0.21 O ATOM 1749 CB TRP B 67 15.575 3.959 -5.266 1.00 0.16 C ATOM 1750 CG TRP B 67 14.137 3.621 -5.039 1.00 0.14 C ATOM 1751 CD1 TRP B 67 13.095 4.340 -5.493 1.00 0.13 C ATOM 1752 CD2 TRP B 67 13.571 2.499 -4.301 1.00 0.14 C ATOM 1753 NE1 TRP B 67 11.922 3.733 -5.086 1.00 0.13 N ATOM 1754 CE2 TRP B 67 12.168 2.596 -4.343 1.00 0.13 C ATOM 1755 CE3 TRP B 67 14.137 1.418 -3.607 1.00 0.16 C ATOM 1756 CZ2 TRP B 67 11.355 1.655 -3.713 1.00 0.14 C ATOM 1757 CZ3 TRP B 67 13.324 0.470 -2.977 1.00 0.17 C ATOM 1758 CH2 TRP B 67 11.934 0.590 -3.028 1.00 0.16 C ATOM 0 H TRP B 67 14.860 6.104 -6.376 1.00 0.15 H new ATOM 0 HA TRP B 67 15.485 5.357 -3.633 1.00 0.16 H new ATOM 0 HB2 TRP B 67 15.796 3.966 -6.333 1.00 0.16 H new ATOM 0 HB3 TRP B 67 16.216 3.203 -4.813 1.00 0.16 H new ATOM 0 HD1 TRP B 67 13.164 5.244 -6.080 1.00 0.13 H new ATOM 0 HE1 TRP B 67 10.990 4.082 -5.307 1.00 0.13 H new ATOM 0 HE3 TRP B 67 15.211 1.317 -3.559 1.00 0.16 H new ATOM 0 HZ2 TRP B 67 10.280 1.752 -3.756 1.00 0.14 H new ATOM 0 HZ3 TRP B 67 13.773 -0.358 -2.449 1.00 0.17 H new ATOM 0 HH2 TRP B 67 11.309 -0.142 -2.537 1.00 0.16 H new ATOM 1769 N ASN B 68 17.846 6.506 -5.437 1.00 0.23 N ATOM 1770 CA ASN B 68 19.307 6.804 -5.444 1.00 0.27 C ATOM 1771 C ASN B 68 19.761 7.072 -4.009 1.00 0.26 C ATOM 1772 O ASN B 68 20.939 7.118 -3.717 1.00 0.30 O ATOM 1773 CB ASN B 68 19.586 8.037 -6.308 1.00 0.34 C ATOM 1774 CG ASN B 68 19.369 7.680 -7.780 1.00 0.40 C ATOM 1775 OD1 ASN B 68 18.801 6.545 -8.083 1.00 0.49 O flip ATOM 1776 ND2 ASN B 68 19.717 8.440 -8.662 1.00 0.40 N flip ATOM 0 H ASN B 68 17.286 7.059 -6.085 1.00 0.23 H new ATOM 0 HA ASN B 68 19.852 5.955 -5.856 1.00 0.27 H new ATOM 0 HB2 ASN B 68 18.926 8.855 -6.019 1.00 0.34 H new ATOM 0 HB3 ASN B 68 20.608 8.381 -6.152 1.00 0.34 H new ATOM 0 HD21 ASN B 68 20.161 9.327 -8.425 1.00 0.40 H new ATOM 0 HD22 ASN B 68 19.565 8.191 -9.639 1.00 0.40 H new ATOM 1783 N VAL B 69 18.832 7.241 -3.104 1.00 0.26 N ATOM 1784 CA VAL B 69 19.218 7.493 -1.688 1.00 0.33 C ATOM 1785 C VAL B 69 19.963 6.273 -1.143 1.00 0.41 C ATOM 1786 O VAL B 69 19.660 5.146 -1.483 1.00 0.49 O ATOM 1787 CB VAL B 69 17.960 7.745 -0.854 1.00 0.45 C ATOM 1788 CG1 VAL B 69 17.342 9.080 -1.269 1.00 0.99 C ATOM 1789 CG2 VAL B 69 16.943 6.622 -1.095 1.00 1.04 C ATOM 0 H VAL B 69 17.828 7.215 -3.285 1.00 0.26 H new ATOM 0 HA VAL B 69 19.866 8.368 -1.634 1.00 0.33 H new ATOM 0 HB VAL B 69 18.226 7.770 0.203 1.00 0.45 H new ATOM 0 HG11 VAL B 69 16.445 9.265 -0.678 1.00 0.99 H new ATOM 0 HG12 VAL B 69 18.060 9.882 -1.099 1.00 0.99 H new ATOM 0 HG13 VAL B 69 17.079 9.046 -2.326 1.00 0.99 H new ATOM 0 HG21 VAL B 69 16.049 6.806 -0.499 1.00 1.04 H new ATOM 0 HG22 VAL B 69 16.675 6.594 -2.151 1.00 1.04 H new ATOM 0 HG23 VAL B 69 17.381 5.666 -0.806 1.00 1.04 H new ATOM 1799 N ASP B 70 20.946 6.486 -0.314 1.00 0.49 N ATOM 1800 CA ASP B 70 21.709 5.333 0.241 1.00 0.64 C ATOM 1801 C ASP B 70 20.755 4.418 1.005 1.00 0.76 C ATOM 1802 O ASP B 70 20.884 3.212 0.982 1.00 0.90 O ATOM 1803 CB ASP B 70 22.795 5.832 1.193 1.00 0.74 C ATOM 1804 CG ASP B 70 23.889 6.545 0.398 1.00 0.77 C ATOM 1805 OD1 ASP B 70 24.279 6.024 -0.634 1.00 1.36 O ATOM 1806 OD2 ASP B 70 24.321 7.597 0.838 1.00 1.32 O ATOM 0 H ASP B 70 21.254 7.405 0.003 1.00 0.49 H new ATOM 0 HA ASP B 70 22.174 4.786 -0.579 1.00 0.64 H new ATOM 0 HB2 ASP B 70 22.364 6.512 1.928 1.00 0.74 H new ATOM 0 HB3 ASP B 70 23.221 4.994 1.746 1.00 0.74 H new ATOM 1811 N GLY B 71 19.808 4.985 1.701 1.00 0.77 N ATOM 1812 CA GLY B 71 18.854 4.151 2.478 1.00 0.96 C ATOM 1813 C GLY B 71 19.521 3.710 3.783 1.00 1.62 C ATOM 1814 O GLY B 71 19.613 2.514 4.004 1.00 2.29 O ATOM 1815 OXT GLY B 71 19.933 4.577 4.536 1.00 2.32 O ATOM 0 H GLY B 71 19.655 5.992 1.764 1.00 0.77 H new ATOM 0 HA2 GLY B 71 17.948 4.717 2.692 1.00 0.96 H new ATOM 0 HA3 GLY B 71 18.555 3.280 1.895 1.00 0.96 H new TER 1819 GLY B 71