USER MOD reduce.3.24.130724 H: found=0, std=0, add=909, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 919 hydrogens (12 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+ -132:sc= 0.0542 (180deg=-0.442) USER MOD Single : A 3 LYS NZ :NH3+ 155:sc= -0.146 (180deg=-0.807) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 7 SER OG : rot 180:sc= -0.0336 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= -1.04 X(o=-1,f=-1) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 152:sc= 0.466 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -138:sc= -1.5 (180deg=-3.85!) USER MOD Single : A 43 HIS : no HD1:sc= -0.607 X(o=-0.61,f=-0.13) USER MOD Single : A 44 SER OG : rot -43:sc= -0.129 USER MOD Single : A 46 SER OG : rot 112:sc= 0.665 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot -111:sc= 0.00802 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -1.3 K(o=-1.3,f=-3.3!) USER MOD Single : A 63 GLN : amide:sc= -4.78! C(o=-4.8!,f=-3.5!) USER MOD Single : A 67 SER OG : rot 68:sc= 1.04 USER MOD Single : A 72 LYS NZ :NH3+ -163:sc=-0.00641 (180deg=-0.229) USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.792 USER MOD Single : A 76 THR OG1 : rot -51:sc= -0.949 USER MOD Single : A 78 GLN : amide:sc= -1.33 K(o=-1.3,f=-2.5!) USER MOD Single : A 81 LYS NZ :NH3+ -130:sc= 0.583 (180deg=-0.07) USER MOD Single : A 82 LYS NZ :NH3+ -116:sc= -1.38 (180deg=-3.69!) USER MOD Single : A 84 GLN : amide:sc= -4.41! K(o=-4.4!,f=-0.72) USER MOD Single : A 85 LYS NZ :NH3+ -159:sc= 0.483 (180deg=0.304) USER MOD Single : A 90 SER OG : rot 123:sc= 1.2 USER MOD Single : A 93 ASN : amide:sc= -1.3 K(o=-1.3,f=-5!) USER MOD Single : A 94 LYS NZ :NH3+ -128:sc= 1.54 (180deg=-0.631) USER MOD Single : A 96 LYS NZ :NH3+ 153:sc= -0.242 (180deg=-1.3!) USER MOD Single : A 100 THR OG1 : rot 76:sc= 0.198 USER MOD Single : A 102 ASN : amide:sc= -0.548 X(o=-0.55,f=-0.5) USER MOD Single : B 1 PHE N :NH3+ -151:sc= 1.42 (180deg=0.28) USER MOD Single : B 5 TYR OH : rot 7:sc= -4.6! USER MOD Single : B 11 SER OG : rot 180:sc= 0 USER MOD Single : B 12 HIS : no HD1:sc= -1.63! C(o=-1.6!,f=-3.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.515 -2.329 7.343 1.00 0.73 N ATOM 2 CA MET A 1 -6.564 -1.957 8.428 1.00 0.31 C ATOM 3 C MET A 1 -5.152 -1.844 7.852 1.00 0.24 C ATOM 4 O MET A 1 -4.945 -1.967 6.662 1.00 0.21 O ATOM 5 CB MET A 1 -6.582 -3.030 9.517 1.00 0.70 C ATOM 6 CG MET A 1 -7.912 -2.972 10.272 1.00 1.55 C ATOM 7 SD MET A 1 -8.080 -4.447 11.306 1.00 2.25 S ATOM 8 CE MET A 1 -9.847 -4.275 11.659 1.00 2.89 C ATOM 0 H1 MET A 1 -8.345 -1.704 7.380 1.00 0.73 H new ATOM 0 H2 MET A 1 -7.046 -2.228 6.420 1.00 0.73 H new ATOM 0 H3 MET A 1 -7.819 -3.315 7.471 1.00 0.73 H new ATOM 0 HA MET A 1 -6.862 -1.000 8.856 1.00 0.31 H new ATOM 0 HB2 MET A 1 -6.447 -4.016 9.072 1.00 0.70 H new ATOM 0 HB3 MET A 1 -5.753 -2.876 10.208 1.00 0.70 H new ATOM 0 HG2 MET A 1 -7.954 -2.075 10.890 1.00 1.55 H new ATOM 0 HG3 MET A 1 -8.741 -2.912 9.567 1.00 1.55 H new ATOM 0 HE1 MET A 1 -10.172 -5.097 12.297 1.00 2.89 H new ATOM 0 HE2 MET A 1 -10.026 -3.328 12.168 1.00 2.89 H new ATOM 0 HE3 MET A 1 -10.408 -4.296 10.725 1.00 2.89 H new ATOM 20 N VAL A 2 -4.176 -1.606 8.690 1.00 0.24 N ATOM 21 CA VAL A 2 -2.770 -1.482 8.200 1.00 0.19 C ATOM 22 C VAL A 2 -2.040 -2.818 8.382 1.00 0.22 C ATOM 23 O VAL A 2 -2.381 -3.611 9.237 1.00 0.28 O ATOM 24 CB VAL A 2 -2.052 -0.400 9.008 1.00 0.20 C ATOM 25 CG1 VAL A 2 -0.606 -0.276 8.529 1.00 0.18 C ATOM 26 CG2 VAL A 2 -2.768 0.940 8.817 1.00 0.30 C ATOM 0 H VAL A 2 -4.293 -1.492 9.697 1.00 0.24 H new ATOM 0 HA VAL A 2 -2.775 -1.214 7.143 1.00 0.19 H new ATOM 0 HB VAL A 2 -2.062 -0.672 10.064 1.00 0.20 H new ATOM 0 HG11 VAL A 2 -0.096 0.496 9.106 1.00 0.18 H new ATOM 0 HG12 VAL A 2 -0.094 -1.229 8.666 1.00 0.18 H new ATOM 0 HG13 VAL A 2 -0.594 -0.006 7.473 1.00 0.18 H new ATOM 0 HG21 VAL A 2 -2.256 1.711 9.393 1.00 0.30 H new ATOM 0 HG22 VAL A 2 -2.759 1.210 7.761 1.00 0.30 H new ATOM 0 HG23 VAL A 2 -3.799 0.854 9.161 1.00 0.30 H new ATOM 36 N LYS A 3 -1.030 -3.064 7.590 1.00 0.18 N ATOM 37 CA LYS A 3 -0.262 -4.338 7.716 1.00 0.22 C ATOM 38 C LYS A 3 1.154 -4.116 7.188 1.00 0.16 C ATOM 39 O LYS A 3 1.355 -3.797 6.034 1.00 0.13 O ATOM 40 CB LYS A 3 -0.938 -5.449 6.901 1.00 0.26 C ATOM 41 CG LYS A 3 -0.348 -6.805 7.298 1.00 0.34 C ATOM 42 CD LYS A 3 -1.168 -7.925 6.656 1.00 0.81 C ATOM 43 CE LYS A 3 -0.702 -9.276 7.197 1.00 1.37 C ATOM 44 NZ LYS A 3 -0.963 -9.341 8.663 1.00 1.97 N ATOM 0 H LYS A 3 -0.702 -2.434 6.858 1.00 0.18 H new ATOM 0 HA LYS A 3 -0.232 -4.638 8.764 1.00 0.22 H new ATOM 0 HB2 LYS A 3 -2.013 -5.442 7.079 1.00 0.26 H new ATOM 0 HB3 LYS A 3 -0.790 -5.274 5.835 1.00 0.26 H new ATOM 0 HG2 LYS A 3 0.691 -6.870 6.976 1.00 0.34 H new ATOM 0 HG3 LYS A 3 -0.353 -6.912 8.383 1.00 0.34 H new ATOM 0 HD2 LYS A 3 -2.227 -7.782 6.870 1.00 0.81 H new ATOM 0 HD3 LYS A 3 -1.055 -7.897 5.572 1.00 0.81 H new ATOM 0 HE2 LYS A 3 -1.226 -10.084 6.687 1.00 1.37 H new ATOM 0 HE3 LYS A 3 0.361 -9.412 7.000 1.00 1.37 H new ATOM 0 HZ1 LYS A 3 -1.057 -10.335 8.955 1.00 1.97 H new ATOM 0 HZ2 LYS A 3 -0.172 -8.902 9.176 1.00 1.97 H new ATOM 0 HZ3 LYS A 3 -1.843 -8.831 8.882 1.00 1.97 H new ATOM 58 N GLN A 4 2.138 -4.270 8.031 1.00 0.18 N ATOM 59 CA GLN A 4 3.547 -4.056 7.590 1.00 0.15 C ATOM 60 C GLN A 4 4.134 -5.369 7.057 1.00 0.13 C ATOM 61 O GLN A 4 4.010 -6.416 7.661 1.00 0.14 O ATOM 62 CB GLN A 4 4.365 -3.555 8.790 1.00 0.20 C ATOM 63 CG GLN A 4 5.871 -3.750 8.544 1.00 0.21 C ATOM 64 CD GLN A 4 6.672 -2.835 9.473 1.00 0.27 C ATOM 65 OE1 GLN A 4 6.325 -2.665 10.625 1.00 0.81 O ATOM 66 NE2 GLN A 4 7.738 -2.234 9.017 1.00 0.98 N ATOM 0 H GLN A 4 2.027 -4.536 9.010 1.00 0.18 H new ATOM 0 HA GLN A 4 3.579 -3.317 6.790 1.00 0.15 H new ATOM 0 HB2 GLN A 4 4.154 -2.500 8.965 1.00 0.20 H new ATOM 0 HB3 GLN A 4 4.066 -4.093 9.690 1.00 0.20 H new ATOM 0 HG2 GLN A 4 6.145 -4.790 8.718 1.00 0.21 H new ATOM 0 HG3 GLN A 4 6.111 -3.527 7.504 1.00 0.21 H new ATOM 0 HE21 GLN A 4 8.030 -2.377 8.050 1.00 0.98 H new ATOM 0 HE22 GLN A 4 8.279 -1.622 9.628 1.00 0.98 H new ATOM 75 N ILE A 5 4.800 -5.298 5.936 1.00 0.10 N ATOM 76 CA ILE A 5 5.441 -6.508 5.338 1.00 0.10 C ATOM 77 C ILE A 5 6.949 -6.399 5.584 1.00 0.10 C ATOM 78 O ILE A 5 7.577 -5.446 5.168 1.00 0.11 O ATOM 79 CB ILE A 5 5.193 -6.524 3.825 1.00 0.11 C ATOM 80 CG1 ILE A 5 3.716 -6.189 3.498 1.00 0.12 C ATOM 81 CG2 ILE A 5 5.590 -7.885 3.237 1.00 0.13 C ATOM 82 CD1 ILE A 5 2.721 -7.052 4.301 1.00 0.19 C ATOM 0 H ILE A 5 4.930 -4.440 5.400 1.00 0.10 H new ATOM 0 HA ILE A 5 5.031 -7.415 5.782 1.00 0.10 H new ATOM 0 HB ILE A 5 5.814 -5.754 3.367 1.00 0.11 H new ATOM 0 HG12 ILE A 5 3.531 -5.136 3.709 1.00 0.12 H new ATOM 0 HG13 ILE A 5 3.541 -6.336 2.432 1.00 0.12 H new ATOM 0 HG21 ILE A 5 5.409 -7.884 2.162 1.00 0.13 H new ATOM 0 HG22 ILE A 5 6.647 -8.069 3.427 1.00 0.13 H new ATOM 0 HG23 ILE A 5 4.996 -8.670 3.704 1.00 0.13 H new ATOM 0 HD11 ILE A 5 1.701 -6.776 4.033 1.00 0.19 H new ATOM 0 HD12 ILE A 5 2.884 -8.105 4.071 1.00 0.19 H new ATOM 0 HD13 ILE A 5 2.874 -6.886 5.367 1.00 0.19 H new ATOM 94 N GLU A 6 7.537 -7.353 6.257 1.00 0.11 N ATOM 95 CA GLU A 6 9.007 -7.284 6.528 1.00 0.14 C ATOM 96 C GLU A 6 9.749 -8.215 5.562 1.00 0.14 C ATOM 97 O GLU A 6 10.944 -8.106 5.374 1.00 0.17 O ATOM 98 CB GLU A 6 9.274 -7.724 7.972 1.00 0.18 C ATOM 99 CG GLU A 6 8.190 -7.163 8.896 1.00 0.31 C ATOM 100 CD GLU A 6 6.913 -7.998 8.767 1.00 1.20 C ATOM 101 OE1 GLU A 6 7.029 -9.206 8.647 1.00 1.97 O ATOM 102 OE2 GLU A 6 5.842 -7.414 8.792 1.00 1.96 O ATOM 0 H GLU A 6 7.065 -8.176 6.631 1.00 0.11 H new ATOM 0 HA GLU A 6 9.359 -6.262 6.386 1.00 0.14 H new ATOM 0 HB2 GLU A 6 9.289 -8.812 8.033 1.00 0.18 H new ATOM 0 HB3 GLU A 6 10.255 -7.373 8.293 1.00 0.18 H new ATOM 0 HG2 GLU A 6 8.539 -7.173 9.929 1.00 0.31 H new ATOM 0 HG3 GLU A 6 7.983 -6.124 8.640 1.00 0.31 H new ATOM 109 N SER A 7 9.045 -9.125 4.944 1.00 0.13 N ATOM 110 CA SER A 7 9.700 -10.061 3.984 1.00 0.15 C ATOM 111 C SER A 7 8.671 -10.523 2.954 1.00 0.14 C ATOM 112 O SER A 7 7.482 -10.513 3.202 1.00 0.12 O ATOM 113 CB SER A 7 10.247 -11.269 4.743 1.00 0.20 C ATOM 114 OG SER A 7 9.193 -11.882 5.472 1.00 0.23 O ATOM 0 H SER A 7 8.041 -9.261 5.063 1.00 0.13 H new ATOM 0 HA SER A 7 10.521 -9.554 3.477 1.00 0.15 H new ATOM 0 HB2 SER A 7 10.686 -11.983 4.046 1.00 0.20 H new ATOM 0 HB3 SER A 7 11.041 -10.957 5.422 1.00 0.20 H new ATOM 0 HG SER A 7 9.540 -12.658 5.959 1.00 0.23 H new ATOM 120 N LYS A 8 9.117 -10.924 1.798 1.00 0.15 N ATOM 121 CA LYS A 8 8.163 -11.383 0.751 1.00 0.14 C ATOM 122 C LYS A 8 7.212 -12.423 1.352 1.00 0.14 C ATOM 123 O LYS A 8 6.131 -12.653 0.852 1.00 0.13 O ATOM 124 CB LYS A 8 8.951 -11.998 -0.412 1.00 0.17 C ATOM 125 CG LYS A 8 8.087 -12.050 -1.680 1.00 0.21 C ATOM 126 CD LYS A 8 8.979 -12.255 -2.910 1.00 0.22 C ATOM 127 CE LYS A 8 9.889 -13.464 -2.696 1.00 1.06 C ATOM 128 NZ LYS A 8 10.492 -13.867 -3.999 1.00 1.90 N ATOM 0 H LYS A 8 10.101 -10.954 1.532 1.00 0.15 H new ATOM 0 HA LYS A 8 7.579 -10.539 0.382 1.00 0.14 H new ATOM 0 HB2 LYS A 8 9.849 -11.410 -0.601 1.00 0.17 H new ATOM 0 HB3 LYS A 8 9.278 -13.003 -0.146 1.00 0.17 H new ATOM 0 HG2 LYS A 8 7.364 -12.862 -1.605 1.00 0.21 H new ATOM 0 HG3 LYS A 8 7.519 -11.125 -1.782 1.00 0.21 H new ATOM 0 HD2 LYS A 8 8.363 -12.405 -3.796 1.00 0.22 H new ATOM 0 HD3 LYS A 8 9.580 -11.363 -3.087 1.00 0.22 H new ATOM 0 HE2 LYS A 8 10.674 -13.220 -1.980 1.00 1.06 H new ATOM 0 HE3 LYS A 8 9.319 -14.292 -2.275 1.00 1.06 H new ATOM 0 HZ1 LYS A 8 11.112 -14.690 -3.855 1.00 1.90 H new ATOM 0 HZ2 LYS A 8 9.736 -14.116 -4.669 1.00 1.90 H new ATOM 0 HZ3 LYS A 8 11.049 -13.077 -4.383 1.00 1.90 H new ATOM 142 N THR A 9 7.605 -13.050 2.426 1.00 0.16 N ATOM 143 CA THR A 9 6.717 -14.065 3.058 1.00 0.18 C ATOM 144 C THR A 9 5.418 -13.392 3.506 1.00 0.16 C ATOM 145 O THR A 9 4.333 -13.876 3.254 1.00 0.17 O ATOM 146 CB THR A 9 7.426 -14.674 4.265 1.00 0.21 C ATOM 147 OG1 THR A 9 8.546 -15.429 3.823 1.00 0.24 O ATOM 148 CG2 THR A 9 6.463 -15.585 5.031 1.00 0.25 C ATOM 0 H THR A 9 8.500 -12.904 2.892 1.00 0.16 H new ATOM 0 HA THR A 9 6.486 -14.852 2.340 1.00 0.18 H new ATOM 0 HB THR A 9 7.762 -13.875 4.926 1.00 0.21 H new ATOM 0 HG1 THR A 9 9.003 -15.819 4.597 1.00 0.24 H new ATOM 0 HG21 THR A 9 6.976 -16.016 5.891 1.00 0.25 H new ATOM 0 HG22 THR A 9 5.607 -15.004 5.373 1.00 0.25 H new ATOM 0 HG23 THR A 9 6.120 -16.385 4.375 1.00 0.25 H new ATOM 156 N ALA A 10 5.527 -12.274 4.170 1.00 0.16 N ATOM 157 CA ALA A 10 4.309 -11.556 4.644 1.00 0.17 C ATOM 158 C ALA A 10 3.568 -10.943 3.449 1.00 0.15 C ATOM 159 O ALA A 10 2.384 -10.680 3.516 1.00 0.17 O ATOM 160 CB ALA A 10 4.725 -10.450 5.621 1.00 0.20 C ATOM 0 H ALA A 10 6.412 -11.824 4.406 1.00 0.16 H new ATOM 0 HA ALA A 10 3.645 -12.258 5.149 1.00 0.17 H new ATOM 0 HB1 ALA A 10 3.838 -9.921 5.971 1.00 0.20 H new ATOM 0 HB2 ALA A 10 5.243 -10.892 6.472 1.00 0.20 H new ATOM 0 HB3 ALA A 10 5.389 -9.749 5.116 1.00 0.20 H new ATOM 166 N PHE A 11 4.249 -10.710 2.359 1.00 0.12 N ATOM 167 CA PHE A 11 3.569 -10.109 1.175 1.00 0.11 C ATOM 168 C PHE A 11 2.422 -11.014 0.719 1.00 0.13 C ATOM 169 O PHE A 11 1.269 -10.644 0.787 1.00 0.16 O ATOM 170 CB PHE A 11 4.569 -9.936 0.026 1.00 0.10 C ATOM 171 CG PHE A 11 3.846 -9.426 -1.202 1.00 0.13 C ATOM 172 CD1 PHE A 11 3.351 -8.108 -1.233 1.00 0.16 C ATOM 173 CD2 PHE A 11 3.665 -10.270 -2.317 1.00 0.14 C ATOM 174 CE1 PHE A 11 2.677 -7.634 -2.375 1.00 0.20 C ATOM 175 CE2 PHE A 11 2.991 -9.796 -3.459 1.00 0.18 C ATOM 176 CZ PHE A 11 2.497 -8.478 -3.488 1.00 0.21 C ATOM 0 H PHE A 11 5.242 -10.909 2.237 1.00 0.12 H new ATOM 0 HA PHE A 11 3.172 -9.134 1.456 1.00 0.11 H new ATOM 0 HB2 PHE A 11 5.354 -9.237 0.315 1.00 0.10 H new ATOM 0 HB3 PHE A 11 5.054 -10.887 -0.194 1.00 0.10 H new ATOM 0 HD1 PHE A 11 3.488 -7.460 -0.380 1.00 0.16 H new ATOM 0 HD2 PHE A 11 4.044 -11.281 -2.295 1.00 0.14 H new ATOM 0 HE1 PHE A 11 2.298 -6.623 -2.397 1.00 0.20 H new ATOM 0 HE2 PHE A 11 2.853 -10.443 -4.312 1.00 0.18 H new ATOM 0 HZ PHE A 11 1.980 -8.114 -4.364 1.00 0.21 H new ATOM 186 N GLN A 12 2.727 -12.192 0.247 1.00 0.15 N ATOM 187 CA GLN A 12 1.647 -13.107 -0.222 1.00 0.19 C ATOM 188 C GLN A 12 0.627 -13.316 0.898 1.00 0.17 C ATOM 189 O GLN A 12 -0.567 -13.268 0.679 1.00 0.16 O ATOM 190 CB GLN A 12 2.253 -14.457 -0.615 1.00 0.24 C ATOM 191 CG GLN A 12 3.287 -14.252 -1.724 1.00 1.21 C ATOM 192 CD GLN A 12 2.583 -13.804 -3.006 1.00 1.77 C ATOM 193 OE1 GLN A 12 3.090 -12.974 -3.733 1.00 2.35 O ATOM 194 NE2 GLN A 12 1.427 -14.324 -3.316 1.00 2.47 N ATOM 0 H GLN A 12 3.675 -12.560 0.166 1.00 0.15 H new ATOM 0 HA GLN A 12 1.152 -12.664 -1.086 1.00 0.19 H new ATOM 0 HB2 GLN A 12 2.722 -14.923 0.252 1.00 0.24 H new ATOM 0 HB3 GLN A 12 1.469 -15.134 -0.955 1.00 0.24 H new ATOM 0 HG2 GLN A 12 4.019 -13.504 -1.419 1.00 1.21 H new ATOM 0 HG3 GLN A 12 3.833 -15.179 -1.902 1.00 1.21 H new ATOM 0 HE21 GLN A 12 1.001 -15.021 -2.705 1.00 2.47 H new ATOM 0 HE22 GLN A 12 0.949 -14.033 -4.169 1.00 2.47 H new ATOM 203 N GLU A 13 1.084 -13.550 2.095 1.00 0.19 N ATOM 204 CA GLU A 13 0.138 -13.762 3.223 1.00 0.20 C ATOM 205 C GLU A 13 -0.769 -12.540 3.368 1.00 0.18 C ATOM 206 O GLU A 13 -1.935 -12.655 3.689 1.00 0.19 O ATOM 207 CB GLU A 13 0.935 -13.964 4.512 1.00 0.25 C ATOM 208 CG GLU A 13 1.530 -15.374 4.542 1.00 0.30 C ATOM 209 CD GLU A 13 2.403 -15.531 5.789 1.00 1.29 C ATOM 210 OE1 GLU A 13 2.304 -14.691 6.668 1.00 2.03 O ATOM 211 OE2 GLU A 13 3.157 -16.488 5.843 1.00 2.10 O ATOM 0 H GLU A 13 2.072 -13.604 2.341 1.00 0.19 H new ATOM 0 HA GLU A 13 -0.475 -14.642 3.028 1.00 0.20 H new ATOM 0 HB2 GLU A 13 1.731 -13.223 4.577 1.00 0.25 H new ATOM 0 HB3 GLU A 13 0.288 -13.814 5.377 1.00 0.25 H new ATOM 0 HG2 GLU A 13 0.733 -16.117 4.547 1.00 0.30 H new ATOM 0 HG3 GLU A 13 2.123 -15.549 3.645 1.00 0.30 H new ATOM 218 N ALA A 14 -0.246 -11.367 3.135 1.00 0.18 N ATOM 219 CA ALA A 14 -1.086 -10.144 3.261 1.00 0.18 C ATOM 220 C ALA A 14 -2.263 -10.239 2.284 1.00 0.18 C ATOM 221 O ALA A 14 -3.397 -9.972 2.628 1.00 0.19 O ATOM 222 CB ALA A 14 -0.238 -8.915 2.928 1.00 0.20 C ATOM 0 H ALA A 14 0.724 -11.204 2.864 1.00 0.18 H new ATOM 0 HA ALA A 14 -1.466 -10.057 4.279 1.00 0.18 H new ATOM 0 HB1 ALA A 14 -0.848 -8.016 3.019 1.00 0.20 H new ATOM 0 HB2 ALA A 14 0.602 -8.854 3.620 1.00 0.20 H new ATOM 0 HB3 ALA A 14 0.137 -8.997 1.908 1.00 0.20 H new ATOM 228 N LEU A 15 -1.993 -10.620 1.065 1.00 0.17 N ATOM 229 CA LEU A 15 -3.077 -10.743 0.045 1.00 0.18 C ATOM 230 C LEU A 15 -4.048 -11.858 0.447 1.00 0.18 C ATOM 231 O LEU A 15 -5.250 -11.700 0.379 1.00 0.18 O ATOM 232 CB LEU A 15 -2.455 -11.072 -1.319 1.00 0.19 C ATOM 233 CG LEU A 15 -1.186 -10.241 -1.524 1.00 0.24 C ATOM 234 CD1 LEU A 15 -0.637 -10.490 -2.929 1.00 0.18 C ATOM 235 CD2 LEU A 15 -1.517 -8.756 -1.364 1.00 0.62 C ATOM 0 H LEU A 15 -1.059 -10.854 0.728 1.00 0.17 H new ATOM 0 HA LEU A 15 -3.622 -9.801 -0.017 1.00 0.18 H new ATOM 0 HB2 LEU A 15 -2.218 -12.134 -1.374 1.00 0.19 H new ATOM 0 HB3 LEU A 15 -3.170 -10.863 -2.115 1.00 0.19 H new ATOM 0 HG LEU A 15 -0.439 -10.529 -0.784 1.00 0.24 H new ATOM 0 HD11 LEU A 15 0.267 -9.899 -3.077 1.00 0.18 H new ATOM 0 HD12 LEU A 15 -0.402 -11.548 -3.045 1.00 0.18 H new ATOM 0 HD13 LEU A 15 -1.384 -10.201 -3.668 1.00 0.18 H new ATOM 0 HD21 LEU A 15 -0.613 -8.164 -1.510 1.00 0.62 H new ATOM 0 HD22 LEU A 15 -2.263 -8.468 -2.104 1.00 0.62 H new ATOM 0 HD23 LEU A 15 -1.911 -8.577 -0.363 1.00 0.62 H new ATOM 247 N ASP A 16 -3.535 -12.986 0.855 1.00 0.19 N ATOM 248 CA ASP A 16 -4.429 -14.113 1.249 1.00 0.21 C ATOM 249 C ASP A 16 -5.269 -13.711 2.462 1.00 0.20 C ATOM 250 O ASP A 16 -6.440 -14.021 2.546 1.00 0.20 O ATOM 251 CB ASP A 16 -3.582 -15.338 1.597 1.00 0.24 C ATOM 252 CG ASP A 16 -4.492 -16.558 1.761 1.00 0.28 C ATOM 253 OD1 ASP A 16 -5.279 -16.809 0.864 1.00 1.07 O ATOM 254 OD2 ASP A 16 -4.383 -17.219 2.781 1.00 1.09 O ATOM 0 H ASP A 16 -2.536 -13.177 0.933 1.00 0.19 H new ATOM 0 HA ASP A 16 -5.092 -14.352 0.418 1.00 0.21 H new ATOM 0 HB2 ASP A 16 -2.848 -15.521 0.812 1.00 0.24 H new ATOM 0 HB3 ASP A 16 -3.026 -15.159 2.517 1.00 0.24 H new ATOM 259 N ALA A 17 -4.684 -13.027 3.407 1.00 0.22 N ATOM 260 CA ALA A 17 -5.460 -12.613 4.611 1.00 0.24 C ATOM 261 C ALA A 17 -6.319 -11.394 4.271 1.00 0.21 C ATOM 262 O ALA A 17 -7.234 -11.049 4.992 1.00 0.22 O ATOM 263 CB ALA A 17 -4.493 -12.257 5.742 1.00 0.30 C ATOM 0 H ALA A 17 -3.706 -12.738 3.398 1.00 0.22 H new ATOM 0 HA ALA A 17 -6.104 -13.433 4.928 1.00 0.24 H new ATOM 0 HB1 ALA A 17 -5.059 -11.954 6.623 1.00 0.30 H new ATOM 0 HB2 ALA A 17 -3.881 -13.126 5.985 1.00 0.30 H new ATOM 0 HB3 ALA A 17 -3.849 -11.437 5.425 1.00 0.30 H new ATOM 269 N ALA A 18 -6.035 -10.741 3.178 1.00 0.21 N ATOM 270 CA ALA A 18 -6.839 -9.548 2.793 1.00 0.22 C ATOM 271 C ALA A 18 -8.249 -9.988 2.393 1.00 0.21 C ATOM 272 O ALA A 18 -9.123 -9.175 2.168 1.00 0.24 O ATOM 273 CB ALA A 18 -6.170 -8.840 1.614 1.00 0.23 C ATOM 0 H ALA A 18 -5.281 -10.982 2.535 1.00 0.21 H new ATOM 0 HA ALA A 18 -6.900 -8.864 3.639 1.00 0.22 H new ATOM 0 HB1 ALA A 18 -6.759 -7.967 1.332 1.00 0.23 H new ATOM 0 HB2 ALA A 18 -5.167 -8.524 1.901 1.00 0.23 H new ATOM 0 HB3 ALA A 18 -6.107 -9.524 0.767 1.00 0.23 H new ATOM 279 N GLY A 19 -8.478 -11.269 2.301 1.00 0.22 N ATOM 280 CA GLY A 19 -9.831 -11.758 1.913 1.00 0.24 C ATOM 281 C GLY A 19 -10.108 -11.389 0.456 1.00 0.20 C ATOM 282 O GLY A 19 -9.504 -11.924 -0.453 1.00 0.28 O ATOM 0 H GLY A 19 -7.787 -11.998 2.478 1.00 0.22 H new ATOM 0 HA2 GLY A 19 -9.890 -12.839 2.043 1.00 0.24 H new ATOM 0 HA3 GLY A 19 -10.588 -11.317 2.561 1.00 0.24 H new ATOM 286 N ASP A 20 -11.018 -10.476 0.227 1.00 0.13 N ATOM 287 CA ASP A 20 -11.344 -10.061 -1.174 1.00 0.18 C ATOM 288 C ASP A 20 -11.522 -8.543 -1.229 1.00 0.15 C ATOM 289 O ASP A 20 -11.839 -7.985 -2.262 1.00 0.22 O ATOM 290 CB ASP A 20 -12.642 -10.741 -1.618 1.00 0.26 C ATOM 291 CG ASP A 20 -12.522 -12.253 -1.416 1.00 1.43 C ATOM 292 OD1 ASP A 20 -11.441 -12.776 -1.633 1.00 2.21 O ATOM 293 OD2 ASP A 20 -13.513 -12.862 -1.047 1.00 2.19 O ATOM 0 H ASP A 20 -11.552 -9.998 0.952 1.00 0.13 H new ATOM 0 HA ASP A 20 -10.531 -10.356 -1.838 1.00 0.18 H new ATOM 0 HB2 ASP A 20 -13.483 -10.352 -1.044 1.00 0.26 H new ATOM 0 HB3 ASP A 20 -12.841 -10.518 -2.666 1.00 0.26 H new ATOM 298 N LYS A 21 -11.316 -7.863 -0.133 1.00 0.12 N ATOM 299 CA LYS A 21 -11.468 -6.384 -0.140 1.00 0.19 C ATOM 300 C LYS A 21 -10.333 -5.770 -0.945 1.00 0.15 C ATOM 301 O LYS A 21 -9.404 -6.444 -1.344 1.00 0.15 O ATOM 302 CB LYS A 21 -11.423 -5.863 1.294 1.00 0.27 C ATOM 303 CG LYS A 21 -12.752 -6.170 1.981 1.00 0.29 C ATOM 304 CD LYS A 21 -12.594 -5.990 3.486 1.00 0.30 C ATOM 305 CE LYS A 21 -13.917 -6.308 4.170 1.00 1.12 C ATOM 306 NZ LYS A 21 -13.707 -6.410 5.644 1.00 1.90 N ATOM 0 H LYS A 21 -11.050 -8.269 0.764 1.00 0.12 H new ATOM 0 HA LYS A 21 -12.422 -6.113 -0.591 1.00 0.19 H new ATOM 0 HB2 LYS A 21 -10.602 -6.330 1.838 1.00 0.27 H new ATOM 0 HB3 LYS A 21 -11.237 -4.789 1.298 1.00 0.27 H new ATOM 0 HG2 LYS A 21 -13.531 -5.508 1.604 1.00 0.29 H new ATOM 0 HG3 LYS A 21 -13.064 -7.190 1.756 1.00 0.29 H new ATOM 0 HD2 LYS A 21 -11.809 -6.646 3.862 1.00 0.30 H new ATOM 0 HD3 LYS A 21 -12.290 -4.968 3.712 1.00 0.30 H new ATOM 0 HE2 LYS A 21 -14.648 -5.530 3.950 1.00 1.12 H new ATOM 0 HE3 LYS A 21 -14.321 -7.244 3.785 1.00 1.12 H new ATOM 0 HZ1 LYS A 21 -14.611 -6.627 6.109 1.00 1.90 H new ATOM 0 HZ2 LYS A 21 -13.023 -7.167 5.846 1.00 1.90 H new ATOM 0 HZ3 LYS A 21 -13.340 -5.507 6.006 1.00 1.90 H new ATOM 320 N LEU A 22 -10.399 -4.497 -1.195 1.00 0.13 N ATOM 321 CA LEU A 22 -9.321 -3.854 -1.985 1.00 0.11 C ATOM 322 C LEU A 22 -8.013 -3.931 -1.178 1.00 0.10 C ATOM 323 O LEU A 22 -8.031 -4.119 0.022 1.00 0.11 O ATOM 324 CB LEU A 22 -9.707 -2.381 -2.263 1.00 0.12 C ATOM 325 CG LEU A 22 -9.421 -1.984 -3.724 1.00 0.13 C ATOM 326 CD1 LEU A 22 -9.693 -0.484 -3.889 1.00 0.17 C ATOM 327 CD2 LEU A 22 -7.957 -2.266 -4.095 1.00 0.11 C ATOM 0 H LEU A 22 -11.148 -3.877 -0.888 1.00 0.13 H new ATOM 0 HA LEU A 22 -9.184 -4.363 -2.939 1.00 0.11 H new ATOM 0 HB2 LEU A 22 -10.765 -2.235 -2.046 1.00 0.12 H new ATOM 0 HB3 LEU A 22 -9.151 -1.726 -1.592 1.00 0.12 H new ATOM 0 HG LEU A 22 -10.065 -2.571 -4.379 1.00 0.13 H new ATOM 0 HD11 LEU A 22 -9.494 -0.189 -4.919 1.00 0.17 H new ATOM 0 HD12 LEU A 22 -10.735 -0.274 -3.646 1.00 0.17 H new ATOM 0 HD13 LEU A 22 -9.044 0.079 -3.219 1.00 0.17 H new ATOM 0 HD21 LEU A 22 -7.782 -1.977 -5.131 1.00 0.11 H new ATOM 0 HD22 LEU A 22 -7.299 -1.692 -3.442 1.00 0.11 H new ATOM 0 HD23 LEU A 22 -7.750 -3.329 -3.975 1.00 0.11 H new ATOM 339 N VAL A 23 -6.883 -3.785 -1.821 1.00 0.08 N ATOM 340 CA VAL A 23 -5.585 -3.845 -1.081 1.00 0.09 C ATOM 341 C VAL A 23 -4.609 -2.838 -1.692 1.00 0.08 C ATOM 342 O VAL A 23 -4.057 -3.060 -2.751 1.00 0.09 O ATOM 343 CB VAL A 23 -5.000 -5.257 -1.196 1.00 0.10 C ATOM 344 CG1 VAL A 23 -3.914 -5.451 -0.137 1.00 0.12 C ATOM 345 CG2 VAL A 23 -6.110 -6.288 -0.977 1.00 0.10 C ATOM 0 H VAL A 23 -6.802 -3.627 -2.825 1.00 0.08 H new ATOM 0 HA VAL A 23 -5.749 -3.604 -0.031 1.00 0.09 H new ATOM 0 HB VAL A 23 -4.568 -5.389 -2.188 1.00 0.10 H new ATOM 0 HG11 VAL A 23 -3.500 -6.456 -0.221 1.00 0.12 H new ATOM 0 HG12 VAL A 23 -3.122 -4.718 -0.290 1.00 0.12 H new ATOM 0 HG13 VAL A 23 -4.345 -5.318 0.855 1.00 0.12 H new ATOM 0 HG21 VAL A 23 -5.695 -7.293 -1.059 1.00 0.10 H new ATOM 0 HG22 VAL A 23 -6.541 -6.153 0.015 1.00 0.10 H new ATOM 0 HG23 VAL A 23 -6.885 -6.154 -1.731 1.00 0.10 H new ATOM 355 N VAL A 24 -4.388 -1.729 -1.027 1.00 0.08 N ATOM 356 CA VAL A 24 -3.442 -0.699 -1.557 1.00 0.08 C ATOM 357 C VAL A 24 -2.120 -0.809 -0.800 1.00 0.08 C ATOM 358 O VAL A 24 -2.083 -0.809 0.415 1.00 0.08 O ATOM 359 CB VAL A 24 -4.040 0.698 -1.363 1.00 0.08 C ATOM 360 CG1 VAL A 24 -3.308 1.708 -2.251 1.00 0.09 C ATOM 361 CG2 VAL A 24 -5.524 0.673 -1.733 1.00 0.09 C ATOM 0 H VAL A 24 -4.825 -1.493 -0.136 1.00 0.08 H new ATOM 0 HA VAL A 24 -3.271 -0.864 -2.621 1.00 0.08 H new ATOM 0 HB VAL A 24 -3.928 0.993 -0.320 1.00 0.08 H new ATOM 0 HG11 VAL A 24 -3.739 2.699 -2.107 1.00 0.09 H new ATOM 0 HG12 VAL A 24 -2.252 1.730 -1.983 1.00 0.09 H new ATOM 0 HG13 VAL A 24 -3.411 1.416 -3.296 1.00 0.09 H new ATOM 0 HG21 VAL A 24 -5.950 1.667 -1.595 1.00 0.09 H new ATOM 0 HG22 VAL A 24 -5.634 0.372 -2.775 1.00 0.09 H new ATOM 0 HG23 VAL A 24 -6.047 -0.038 -1.093 1.00 0.09 H new ATOM 371 N VAL A 25 -1.035 -0.916 -1.519 1.00 0.09 N ATOM 372 CA VAL A 25 0.307 -1.044 -0.874 1.00 0.09 C ATOM 373 C VAL A 25 1.071 0.265 -1.031 1.00 0.10 C ATOM 374 O VAL A 25 1.102 0.851 -2.094 1.00 0.17 O ATOM 375 CB VAL A 25 1.088 -2.162 -1.574 1.00 0.10 C ATOM 376 CG1 VAL A 25 2.241 -2.630 -0.683 1.00 0.12 C ATOM 377 CG2 VAL A 25 0.148 -3.334 -1.852 1.00 0.09 C ATOM 0 H VAL A 25 -1.020 -0.920 -2.539 1.00 0.09 H new ATOM 0 HA VAL A 25 0.186 -1.274 0.185 1.00 0.09 H new ATOM 0 HB VAL A 25 1.495 -1.786 -2.513 1.00 0.10 H new ATOM 0 HG11 VAL A 25 2.791 -3.424 -1.187 1.00 0.12 H new ATOM 0 HG12 VAL A 25 2.911 -1.793 -0.486 1.00 0.12 H new ATOM 0 HG13 VAL A 25 1.843 -3.006 0.259 1.00 0.12 H new ATOM 0 HG21 VAL A 25 0.699 -4.132 -2.350 1.00 0.09 H new ATOM 0 HG22 VAL A 25 -0.258 -3.706 -0.911 1.00 0.09 H new ATOM 0 HG23 VAL A 25 -0.668 -3.002 -2.493 1.00 0.09 H new ATOM 387 N ASP A 26 1.700 0.718 0.018 1.00 0.08 N ATOM 388 CA ASP A 26 2.483 1.985 -0.049 1.00 0.08 C ATOM 389 C ASP A 26 3.972 1.649 -0.014 1.00 0.08 C ATOM 390 O ASP A 26 4.531 1.375 1.028 1.00 0.09 O ATOM 391 CB ASP A 26 2.126 2.865 1.150 1.00 0.09 C ATOM 392 CG ASP A 26 3.024 4.103 1.158 1.00 0.09 C ATOM 393 OD1 ASP A 26 2.958 4.864 0.207 1.00 0.93 O ATOM 394 OD2 ASP A 26 3.764 4.270 2.114 1.00 0.96 O ATOM 0 H ASP A 26 1.705 0.259 0.929 1.00 0.08 H new ATOM 0 HA ASP A 26 2.249 2.520 -0.970 1.00 0.08 H new ATOM 0 HB2 ASP A 26 1.079 3.162 1.098 1.00 0.09 H new ATOM 0 HB3 ASP A 26 2.252 2.305 2.076 1.00 0.09 H new ATOM 399 N PHE A 27 4.620 1.673 -1.145 1.00 0.08 N ATOM 400 CA PHE A 27 6.074 1.362 -1.173 1.00 0.09 C ATOM 401 C PHE A 27 6.833 2.647 -0.848 1.00 0.11 C ATOM 402 O PHE A 27 7.278 3.352 -1.731 1.00 0.13 O ATOM 403 CB PHE A 27 6.465 0.896 -2.579 1.00 0.10 C ATOM 404 CG PHE A 27 6.068 -0.549 -2.793 1.00 0.11 C ATOM 405 CD1 PHE A 27 4.748 -0.877 -3.163 1.00 0.19 C ATOM 406 CD2 PHE A 27 7.028 -1.568 -2.642 1.00 0.16 C ATOM 407 CE1 PHE A 27 4.391 -2.224 -3.379 1.00 0.24 C ATOM 408 CE2 PHE A 27 6.672 -2.913 -2.862 1.00 0.21 C ATOM 409 CZ PHE A 27 5.354 -3.240 -3.230 1.00 0.23 C ATOM 0 H PHE A 27 4.205 1.895 -2.050 1.00 0.08 H new ATOM 0 HA PHE A 27 6.311 0.579 -0.453 1.00 0.09 H new ATOM 0 HB2 PHE A 27 5.980 1.526 -3.324 1.00 0.10 H new ATOM 0 HB3 PHE A 27 7.540 1.008 -2.719 1.00 0.10 H new ATOM 0 HD1 PHE A 27 4.010 -0.097 -3.281 1.00 0.19 H new ATOM 0 HD2 PHE A 27 8.039 -1.318 -2.357 1.00 0.16 H new ATOM 0 HE1 PHE A 27 3.379 -2.476 -3.659 1.00 0.24 H new ATOM 0 HE2 PHE A 27 7.410 -3.693 -2.748 1.00 0.21 H new ATOM 0 HZ PHE A 27 5.081 -4.271 -3.398 1.00 0.23 H new ATOM 419 N SER A 28 6.966 2.961 0.417 1.00 0.11 N ATOM 420 CA SER A 28 7.684 4.208 0.830 1.00 0.12 C ATOM 421 C SER A 28 8.969 3.839 1.566 1.00 0.10 C ATOM 422 O SER A 28 9.045 2.827 2.234 1.00 0.11 O ATOM 423 CB SER A 28 6.787 5.021 1.763 1.00 0.17 C ATOM 424 OG SER A 28 5.620 5.425 1.059 1.00 1.03 O ATOM 0 H SER A 28 6.604 2.401 1.189 1.00 0.11 H new ATOM 0 HA SER A 28 7.927 4.796 -0.055 1.00 0.12 H new ATOM 0 HB2 SER A 28 6.512 4.425 2.633 1.00 0.17 H new ATOM 0 HB3 SER A 28 7.324 5.895 2.132 1.00 0.17 H new ATOM 0 HG SER A 28 4.878 5.531 1.690 1.00 1.03 H new ATOM 430 N ALA A 29 9.979 4.659 1.459 1.00 0.10 N ATOM 431 CA ALA A 29 11.260 4.367 2.162 1.00 0.15 C ATOM 432 C ALA A 29 11.217 5.026 3.547 1.00 0.18 C ATOM 433 O ALA A 29 10.930 6.199 3.680 1.00 0.26 O ATOM 434 CB ALA A 29 12.422 4.927 1.332 1.00 0.19 C ATOM 0 H ALA A 29 9.972 5.521 0.913 1.00 0.10 H new ATOM 0 HA ALA A 29 11.401 3.293 2.282 1.00 0.15 H new ATOM 0 HB1 ALA A 29 13.364 4.718 1.838 1.00 0.19 H new ATOM 0 HB2 ALA A 29 12.426 4.457 0.349 1.00 0.19 H new ATOM 0 HB3 ALA A 29 12.302 6.004 1.218 1.00 0.19 H new ATOM 440 N THR A 30 11.474 4.268 4.579 1.00 0.18 N ATOM 441 CA THR A 30 11.423 4.833 5.960 1.00 0.23 C ATOM 442 C THR A 30 12.534 5.867 6.174 1.00 0.26 C ATOM 443 O THR A 30 12.397 6.773 6.972 1.00 0.31 O ATOM 444 CB THR A 30 11.584 3.697 6.975 1.00 0.26 C ATOM 445 OG1 THR A 30 11.364 4.201 8.285 1.00 0.32 O ATOM 446 CG2 THR A 30 12.997 3.117 6.881 1.00 0.28 C ATOM 0 H THR A 30 11.718 3.279 4.526 1.00 0.18 H new ATOM 0 HA THR A 30 10.462 5.328 6.097 1.00 0.23 H new ATOM 0 HB THR A 30 10.859 2.913 6.758 1.00 0.26 H new ATOM 0 HG1 THR A 30 11.465 3.475 8.936 1.00 0.32 H new ATOM 0 HG21 THR A 30 13.108 2.309 7.604 1.00 0.28 H new ATOM 0 HG22 THR A 30 13.165 2.730 5.876 1.00 0.28 H new ATOM 0 HG23 THR A 30 13.726 3.898 7.095 1.00 0.28 H new ATOM 454 N TRP A 31 13.637 5.740 5.487 1.00 0.26 N ATOM 455 CA TRP A 31 14.750 6.720 5.679 1.00 0.32 C ATOM 456 C TRP A 31 14.561 7.920 4.756 1.00 0.32 C ATOM 457 O TRP A 31 15.244 8.917 4.872 1.00 0.36 O ATOM 458 CB TRP A 31 16.085 6.045 5.365 1.00 0.34 C ATOM 459 CG TRP A 31 16.155 5.679 3.920 1.00 0.30 C ATOM 460 CD1 TRP A 31 15.823 4.472 3.414 1.00 0.26 C ATOM 461 CD2 TRP A 31 16.587 6.494 2.794 1.00 0.33 C ATOM 462 NE1 TRP A 31 16.033 4.486 2.049 1.00 0.25 N ATOM 463 CE2 TRP A 31 16.495 5.711 1.614 1.00 0.29 C ATOM 464 CE3 TRP A 31 17.045 7.827 2.681 1.00 0.40 C ATOM 465 CZ2 TRP A 31 16.849 6.231 0.360 1.00 0.32 C ATOM 466 CZ3 TRP A 31 17.399 8.355 1.424 1.00 0.44 C ATOM 467 CH2 TRP A 31 17.300 7.559 0.264 1.00 0.40 C ATOM 0 H TRP A 31 13.817 5.004 4.804 1.00 0.26 H new ATOM 0 HA TRP A 31 14.744 7.062 6.714 1.00 0.32 H new ATOM 0 HB2 TRP A 31 16.907 6.715 5.617 1.00 0.34 H new ATOM 0 HB3 TRP A 31 16.202 5.152 5.979 1.00 0.34 H new ATOM 0 HD1 TRP A 31 15.453 3.632 3.984 1.00 0.26 H new ATOM 0 HE1 TRP A 31 15.867 3.687 1.437 1.00 0.25 H new ATOM 0 HE3 TRP A 31 17.124 8.444 3.564 1.00 0.40 H new ATOM 0 HZ2 TRP A 31 16.776 5.616 -0.525 1.00 0.32 H new ATOM 0 HZ3 TRP A 31 17.748 9.374 1.348 1.00 0.44 H new ATOM 0 HH2 TRP A 31 17.571 7.969 -0.698 1.00 0.40 H new ATOM 478 N CYS A 32 13.641 7.834 3.835 1.00 0.28 N ATOM 479 CA CYS A 32 13.409 8.967 2.891 1.00 0.30 C ATOM 480 C CYS A 32 12.249 9.831 3.402 1.00 0.31 C ATOM 481 O CYS A 32 11.235 9.334 3.849 1.00 0.29 O ATOM 482 CB CYS A 32 13.093 8.385 1.511 1.00 0.28 C ATOM 483 SG CYS A 32 13.636 9.538 0.222 1.00 0.32 S ATOM 0 H CYS A 32 13.037 7.025 3.694 1.00 0.28 H new ATOM 0 HA CYS A 32 14.294 9.599 2.821 1.00 0.30 H new ATOM 0 HB2 CYS A 32 13.594 7.425 1.388 1.00 0.28 H new ATOM 0 HB3 CYS A 32 12.023 8.201 1.420 1.00 0.28 H new ATOM 488 N GLY A 33 12.411 11.124 3.356 1.00 0.34 N ATOM 489 CA GLY A 33 11.350 12.045 3.852 1.00 0.36 C ATOM 490 C GLY A 33 10.195 12.191 2.845 1.00 0.35 C ATOM 491 O GLY A 33 9.059 11.958 3.199 1.00 0.33 O ATOM 0 H GLY A 33 13.243 11.587 2.991 1.00 0.34 H new ATOM 0 HA2 GLY A 33 10.960 11.672 4.799 1.00 0.36 H new ATOM 0 HA3 GLY A 33 11.784 13.025 4.050 1.00 0.36 H new ATOM 495 N PRO A 34 10.498 12.604 1.630 1.00 0.37 N ATOM 496 CA PRO A 34 9.458 12.821 0.602 1.00 0.38 C ATOM 497 C PRO A 34 8.463 11.650 0.543 1.00 0.35 C ATOM 498 O PRO A 34 7.276 11.851 0.379 1.00 0.36 O ATOM 499 CB PRO A 34 10.249 12.980 -0.716 1.00 0.42 C ATOM 500 CG PRO A 34 11.724 13.267 -0.320 1.00 0.44 C ATOM 501 CD PRO A 34 11.879 12.880 1.170 1.00 0.40 C ATOM 0 HA PRO A 34 8.842 13.695 0.814 1.00 0.38 H new ATOM 0 HB2 PRO A 34 10.180 12.076 -1.320 1.00 0.42 H new ATOM 0 HB3 PRO A 34 9.843 13.796 -1.315 1.00 0.42 H new ATOM 0 HG2 PRO A 34 12.409 12.690 -0.941 1.00 0.44 H new ATOM 0 HG3 PRO A 34 11.966 14.319 -0.472 1.00 0.44 H new ATOM 0 HD2 PRO A 34 12.518 12.005 1.288 1.00 0.40 H new ATOM 0 HD3 PRO A 34 12.334 13.687 1.744 1.00 0.40 H new ATOM 509 N ALA A 35 8.919 10.441 0.680 1.00 0.33 N ATOM 510 CA ALA A 35 7.964 9.298 0.630 1.00 0.32 C ATOM 511 C ALA A 35 7.196 9.239 1.950 1.00 0.39 C ATOM 512 O ALA A 35 5.982 9.243 1.979 1.00 0.81 O ATOM 513 CB ALA A 35 8.736 7.992 0.425 1.00 0.36 C ATOM 0 H ALA A 35 9.898 10.193 0.823 1.00 0.33 H new ATOM 0 HA ALA A 35 7.267 9.433 -0.197 1.00 0.32 H new ATOM 0 HB1 ALA A 35 8.036 7.157 0.389 1.00 0.36 H new ATOM 0 HB2 ALA A 35 9.291 8.041 -0.512 1.00 0.36 H new ATOM 0 HB3 ALA A 35 9.431 7.847 1.252 1.00 0.36 H new ATOM 519 N LYS A 36 7.904 9.195 3.040 1.00 0.30 N ATOM 520 CA LYS A 36 7.243 9.147 4.374 1.00 0.28 C ATOM 521 C LYS A 36 6.369 10.391 4.565 1.00 0.24 C ATOM 522 O LYS A 36 5.484 10.419 5.398 1.00 0.25 O ATOM 523 CB LYS A 36 8.330 9.116 5.452 1.00 0.35 C ATOM 524 CG LYS A 36 7.702 8.840 6.819 1.00 0.38 C ATOM 525 CD LYS A 36 8.786 8.864 7.910 1.00 0.49 C ATOM 526 CE LYS A 36 9.144 10.311 8.282 1.00 1.22 C ATOM 527 NZ LYS A 36 9.933 10.315 9.545 1.00 1.92 N ATOM 0 H LYS A 36 8.924 9.190 3.066 1.00 0.30 H new ATOM 0 HA LYS A 36 6.615 8.259 4.446 1.00 0.28 H new ATOM 0 HB2 LYS A 36 9.065 8.346 5.218 1.00 0.35 H new ATOM 0 HB3 LYS A 36 8.861 10.067 5.472 1.00 0.35 H new ATOM 0 HG2 LYS A 36 6.939 9.588 7.036 1.00 0.38 H new ATOM 0 HG3 LYS A 36 7.204 7.870 6.811 1.00 0.38 H new ATOM 0 HD2 LYS A 36 8.433 8.332 8.793 1.00 0.49 H new ATOM 0 HD3 LYS A 36 9.676 8.342 7.558 1.00 0.49 H new ATOM 0 HE2 LYS A 36 9.719 10.773 7.479 1.00 1.22 H new ATOM 0 HE3 LYS A 36 8.236 10.902 8.405 1.00 1.22 H new ATOM 0 HZ1 LYS A 36 10.177 11.294 9.799 1.00 1.92 H new ATOM 0 HZ2 LYS A 36 9.369 9.889 10.308 1.00 1.92 H new ATOM 0 HZ3 LYS A 36 10.805 9.765 9.411 1.00 1.92 H new ATOM 541 N MET A 37 6.622 11.423 3.811 1.00 0.23 N ATOM 542 CA MET A 37 5.824 12.675 3.958 1.00 0.24 C ATOM 543 C MET A 37 4.334 12.397 3.702 1.00 0.20 C ATOM 544 O MET A 37 3.482 13.179 4.071 1.00 0.20 O ATOM 545 CB MET A 37 6.345 13.724 2.945 1.00 0.29 C ATOM 546 CG MET A 37 6.344 15.126 3.569 1.00 1.31 C ATOM 547 SD MET A 37 4.652 15.606 3.996 1.00 2.12 S ATOM 548 CE MET A 37 5.081 16.908 5.178 1.00 3.13 C ATOM 0 H MET A 37 7.349 11.455 3.096 1.00 0.23 H new ATOM 0 HA MET A 37 5.932 13.054 4.974 1.00 0.24 H new ATOM 0 HB2 MET A 37 7.355 13.462 2.629 1.00 0.29 H new ATOM 0 HB3 MET A 37 5.720 13.717 2.052 1.00 0.29 H new ATOM 0 HG2 MET A 37 6.971 15.138 4.461 1.00 1.31 H new ATOM 0 HG3 MET A 37 6.770 15.845 2.870 1.00 1.31 H new ATOM 0 HE1 MET A 37 4.169 17.353 5.577 1.00 3.13 H new ATOM 0 HE2 MET A 37 5.663 16.481 5.994 1.00 3.13 H new ATOM 0 HE3 MET A 37 5.669 17.676 4.676 1.00 3.13 H new ATOM 558 N ILE A 38 4.014 11.308 3.048 1.00 0.18 N ATOM 559 CA ILE A 38 2.577 11.012 2.741 1.00 0.15 C ATOM 560 C ILE A 38 1.980 10.049 3.771 1.00 0.16 C ATOM 561 O ILE A 38 0.905 9.520 3.579 1.00 0.16 O ATOM 562 CB ILE A 38 2.491 10.391 1.341 1.00 0.16 C ATOM 563 CG1 ILE A 38 3.491 11.104 0.428 1.00 0.17 C ATOM 564 CG2 ILE A 38 1.073 10.561 0.770 1.00 0.17 C ATOM 565 CD1 ILE A 38 3.264 10.676 -1.023 1.00 0.28 C ATOM 0 H ILE A 38 4.681 10.613 2.714 1.00 0.18 H new ATOM 0 HA ILE A 38 2.008 11.941 2.780 1.00 0.15 H new ATOM 0 HB ILE A 38 2.721 9.327 1.401 1.00 0.16 H new ATOM 0 HG12 ILE A 38 3.376 12.184 0.520 1.00 0.17 H new ATOM 0 HG13 ILE A 38 4.510 10.865 0.732 1.00 0.17 H new ATOM 0 HG21 ILE A 38 1.025 10.116 -0.224 1.00 0.17 H new ATOM 0 HG22 ILE A 38 0.356 10.066 1.424 1.00 0.17 H new ATOM 0 HG23 ILE A 38 0.832 11.622 0.705 1.00 0.17 H new ATOM 0 HD11 ILE A 38 3.978 11.186 -1.669 1.00 0.28 H new ATOM 0 HD12 ILE A 38 3.402 9.598 -1.110 1.00 0.28 H new ATOM 0 HD13 ILE A 38 2.250 10.938 -1.325 1.00 0.28 H new ATOM 577 N LYS A 39 2.636 9.813 4.877 1.00 0.19 N ATOM 578 CA LYS A 39 2.021 8.884 5.864 1.00 0.22 C ATOM 579 C LYS A 39 0.753 9.470 6.508 1.00 0.20 C ATOM 580 O LYS A 39 -0.123 8.719 6.858 1.00 0.21 O ATOM 581 CB LYS A 39 3.020 8.418 6.957 1.00 0.31 C ATOM 582 CG LYS A 39 3.234 9.470 8.078 1.00 0.34 C ATOM 583 CD LYS A 39 3.715 8.782 9.362 1.00 0.45 C ATOM 584 CE LYS A 39 4.898 7.860 9.064 1.00 1.16 C ATOM 585 NZ LYS A 39 4.407 6.507 8.674 1.00 1.62 N ATOM 0 H LYS A 39 3.541 10.209 5.133 1.00 0.19 H new ATOM 0 HA LYS A 39 1.731 8.004 5.290 1.00 0.22 H new ATOM 0 HB2 LYS A 39 2.656 7.492 7.402 1.00 0.31 H new ATOM 0 HB3 LYS A 39 3.979 8.193 6.491 1.00 0.31 H new ATOM 0 HG2 LYS A 39 3.966 10.211 7.757 1.00 0.34 H new ATOM 0 HG3 LYS A 39 2.303 10.004 8.269 1.00 0.34 H new ATOM 0 HD2 LYS A 39 4.007 9.533 10.096 1.00 0.45 H new ATOM 0 HD3 LYS A 39 2.900 8.207 9.801 1.00 0.45 H new ATOM 0 HE2 LYS A 39 5.504 8.281 8.262 1.00 1.16 H new ATOM 0 HE3 LYS A 39 5.540 7.784 9.942 1.00 1.16 H new ATOM 0 HZ1 LYS A 39 4.994 5.780 9.131 1.00 1.62 H new ATOM 0 HZ2 LYS A 39 3.419 6.395 8.978 1.00 1.62 H new ATOM 0 HZ3 LYS A 39 4.466 6.401 7.641 1.00 1.62 H new ATOM 599 N PRO A 40 0.667 10.771 6.710 1.00 0.20 N ATOM 600 CA PRO A 40 -0.514 11.319 7.383 1.00 0.21 C ATOM 601 C PRO A 40 -1.764 11.132 6.513 1.00 0.17 C ATOM 602 O PRO A 40 -2.847 11.529 6.888 1.00 0.20 O ATOM 603 CB PRO A 40 -0.192 12.808 7.618 1.00 0.24 C ATOM 604 CG PRO A 40 1.230 13.069 7.045 1.00 0.25 C ATOM 605 CD PRO A 40 1.663 11.791 6.302 1.00 0.21 C ATOM 0 HA PRO A 40 -0.729 10.813 8.324 1.00 0.21 H new ATOM 0 HB2 PRO A 40 -0.928 13.443 7.124 1.00 0.24 H new ATOM 0 HB3 PRO A 40 -0.228 13.046 8.681 1.00 0.24 H new ATOM 0 HG2 PRO A 40 1.221 13.923 6.368 1.00 0.25 H new ATOM 0 HG3 PRO A 40 1.931 13.304 7.846 1.00 0.25 H new ATOM 0 HD2 PRO A 40 1.660 11.939 5.222 1.00 0.21 H new ATOM 0 HD3 PRO A 40 2.674 11.493 6.580 1.00 0.21 H new ATOM 613 N PHE A 41 -1.615 10.542 5.352 1.00 0.14 N ATOM 614 CA PHE A 41 -2.789 10.323 4.446 1.00 0.14 C ATOM 615 C PHE A 41 -2.993 8.824 4.243 1.00 0.11 C ATOM 616 O PHE A 41 -3.905 8.237 4.782 1.00 0.13 O ATOM 617 CB PHE A 41 -2.515 10.983 3.091 1.00 0.15 C ATOM 618 CG PHE A 41 -2.739 12.469 3.205 1.00 0.19 C ATOM 619 CD1 PHE A 41 -1.747 13.285 3.779 1.00 0.19 C ATOM 620 CD2 PHE A 41 -3.941 13.034 2.744 1.00 0.26 C ATOM 621 CE1 PHE A 41 -1.957 14.673 3.891 1.00 0.23 C ATOM 622 CE2 PHE A 41 -4.153 14.422 2.855 1.00 0.30 C ATOM 623 CZ PHE A 41 -3.161 15.242 3.429 1.00 0.27 C ATOM 0 H PHE A 41 -0.725 10.200 4.990 1.00 0.14 H new ATOM 0 HA PHE A 41 -3.683 10.760 4.892 1.00 0.14 H new ATOM 0 HB2 PHE A 41 -1.491 10.781 2.776 1.00 0.15 H new ATOM 0 HB3 PHE A 41 -3.172 10.562 2.329 1.00 0.15 H new ATOM 0 HD1 PHE A 41 -0.825 12.847 4.133 1.00 0.19 H new ATOM 0 HD2 PHE A 41 -4.701 12.404 2.305 1.00 0.26 H new ATOM 0 HE1 PHE A 41 -1.196 15.301 4.331 1.00 0.23 H new ATOM 0 HE2 PHE A 41 -5.075 14.858 2.500 1.00 0.30 H new ATOM 0 HZ PHE A 41 -3.323 16.306 3.515 1.00 0.27 H new ATOM 633 N PHE A 42 -2.148 8.208 3.464 1.00 0.10 N ATOM 634 CA PHE A 42 -2.282 6.746 3.202 1.00 0.11 C ATOM 635 C PHE A 42 -2.619 5.996 4.499 1.00 0.11 C ATOM 636 O PHE A 42 -3.580 5.254 4.563 1.00 0.12 O ATOM 637 CB PHE A 42 -0.958 6.236 2.628 1.00 0.13 C ATOM 638 CG PHE A 42 -1.003 4.735 2.489 1.00 0.11 C ATOM 639 CD1 PHE A 42 -1.748 4.158 1.450 1.00 0.11 C ATOM 640 CD2 PHE A 42 -0.292 3.915 3.388 1.00 0.11 C ATOM 641 CE1 PHE A 42 -1.787 2.762 1.304 1.00 0.11 C ATOM 642 CE2 PHE A 42 -0.332 2.515 3.245 1.00 0.10 C ATOM 643 CZ PHE A 42 -1.081 1.937 2.202 1.00 0.10 C ATOM 0 H PHE A 42 -1.363 8.658 2.993 1.00 0.10 H new ATOM 0 HA PHE A 42 -3.091 6.571 2.492 1.00 0.11 H new ATOM 0 HB2 PHE A 42 -0.772 6.694 1.657 1.00 0.13 H new ATOM 0 HB3 PHE A 42 -0.134 6.525 3.280 1.00 0.13 H new ATOM 0 HD1 PHE A 42 -2.292 4.788 0.762 1.00 0.11 H new ATOM 0 HD2 PHE A 42 0.283 4.360 4.186 1.00 0.11 H new ATOM 0 HE1 PHE A 42 -2.359 2.320 0.502 1.00 0.11 H new ATOM 0 HE2 PHE A 42 0.211 1.885 3.934 1.00 0.10 H new ATOM 0 HZ PHE A 42 -1.114 0.863 2.091 1.00 0.10 H new ATOM 653 N HIS A 43 -1.851 6.191 5.534 1.00 0.14 N ATOM 654 CA HIS A 43 -2.145 5.498 6.823 1.00 0.16 C ATOM 655 C HIS A 43 -3.448 6.051 7.424 1.00 0.16 C ATOM 656 O HIS A 43 -4.185 5.339 8.077 1.00 0.18 O ATOM 657 CB HIS A 43 -0.949 5.690 7.787 1.00 0.21 C ATOM 658 CG HIS A 43 -1.396 5.659 9.226 1.00 0.27 C ATOM 659 ND1 HIS A 43 -1.328 4.515 10.003 1.00 0.35 N ATOM 660 CD2 HIS A 43 -1.951 6.629 10.027 1.00 0.31 C ATOM 661 CE1 HIS A 43 -1.831 4.819 11.214 1.00 0.41 C ATOM 662 NE2 HIS A 43 -2.226 6.096 11.282 1.00 0.39 N ATOM 0 H HIS A 43 -1.032 6.800 5.545 1.00 0.14 H new ATOM 0 HA HIS A 43 -2.283 4.430 6.654 1.00 0.16 H new ATOM 0 HB2 HIS A 43 -0.212 4.906 7.616 1.00 0.21 H new ATOM 0 HB3 HIS A 43 -0.458 6.640 7.577 1.00 0.21 H new ATOM 0 HD2 HIS A 43 -2.144 7.649 9.728 1.00 0.31 H new ATOM 0 HE1 HIS A 43 -1.907 4.117 12.032 1.00 0.41 H new ATOM 0 HE2 HIS A 43 -2.640 6.575 12.082 1.00 0.39 H new ATOM 670 N SER A 44 -3.740 7.305 7.219 1.00 0.20 N ATOM 671 CA SER A 44 -4.995 7.871 7.795 1.00 0.25 C ATOM 672 C SER A 44 -6.209 7.154 7.202 1.00 0.20 C ATOM 673 O SER A 44 -7.134 6.802 7.906 1.00 0.21 O ATOM 674 CB SER A 44 -5.082 9.363 7.483 1.00 0.34 C ATOM 675 OG SER A 44 -5.357 9.544 6.101 1.00 0.97 O ATOM 0 H SER A 44 -3.170 7.959 6.682 1.00 0.20 H new ATOM 0 HA SER A 44 -4.984 7.728 8.876 1.00 0.25 H new ATOM 0 HB2 SER A 44 -5.865 9.826 8.084 1.00 0.34 H new ATOM 0 HB3 SER A 44 -4.146 9.855 7.746 1.00 0.34 H new ATOM 0 HG SER A 44 -4.810 8.924 5.575 1.00 0.97 H new ATOM 681 N LEU A 45 -6.219 6.934 5.915 1.00 0.18 N ATOM 682 CA LEU A 45 -7.382 6.238 5.294 1.00 0.18 C ATOM 683 C LEU A 45 -7.662 4.945 6.059 1.00 0.16 C ATOM 684 O LEU A 45 -8.716 4.354 5.935 1.00 0.23 O ATOM 685 CB LEU A 45 -7.072 5.904 3.829 1.00 0.19 C ATOM 686 CG LEU A 45 -6.613 7.160 3.078 1.00 0.26 C ATOM 687 CD1 LEU A 45 -6.259 6.783 1.638 1.00 0.28 C ATOM 688 CD2 LEU A 45 -7.737 8.207 3.073 1.00 0.50 C ATOM 0 H LEU A 45 -5.477 7.204 5.270 1.00 0.18 H new ATOM 0 HA LEU A 45 -8.255 6.890 5.335 1.00 0.18 H new ATOM 0 HB2 LEU A 45 -6.296 5.140 3.780 1.00 0.19 H new ATOM 0 HB3 LEU A 45 -7.958 5.489 3.349 1.00 0.19 H new ATOM 0 HG LEU A 45 -5.739 7.580 3.575 1.00 0.26 H new ATOM 0 HD11 LEU A 45 -5.932 7.672 1.099 1.00 0.28 H new ATOM 0 HD12 LEU A 45 -5.457 6.045 1.642 1.00 0.28 H new ATOM 0 HD13 LEU A 45 -7.136 6.363 1.146 1.00 0.28 H new ATOM 0 HD21 LEU A 45 -7.404 9.096 2.538 1.00 0.50 H new ATOM 0 HD22 LEU A 45 -8.616 7.794 2.579 1.00 0.50 H new ATOM 0 HD23 LEU A 45 -7.990 8.474 4.099 1.00 0.50 H new ATOM 700 N SER A 46 -6.727 4.502 6.852 1.00 0.20 N ATOM 701 CA SER A 46 -6.939 3.250 7.628 1.00 0.25 C ATOM 702 C SER A 46 -8.192 3.387 8.496 1.00 0.17 C ATOM 703 O SER A 46 -8.945 2.450 8.668 1.00 0.15 O ATOM 704 CB SER A 46 -5.728 2.996 8.526 1.00 0.36 C ATOM 705 OG SER A 46 -4.551 2.962 7.729 1.00 0.51 O ATOM 0 H SER A 46 -5.824 4.954 6.996 1.00 0.20 H new ATOM 0 HA SER A 46 -7.065 2.416 6.938 1.00 0.25 H new ATOM 0 HB2 SER A 46 -5.649 3.780 9.279 1.00 0.36 H new ATOM 0 HB3 SER A 46 -5.847 2.053 9.059 1.00 0.36 H new ATOM 0 HG SER A 46 -3.993 3.741 7.936 1.00 0.51 H new ATOM 711 N GLU A 47 -8.416 4.548 9.060 1.00 0.21 N ATOM 712 CA GLU A 47 -9.614 4.744 9.935 1.00 0.21 C ATOM 713 C GLU A 47 -10.774 5.337 9.130 1.00 0.18 C ATOM 714 O GLU A 47 -11.911 5.301 9.557 1.00 0.18 O ATOM 715 CB GLU A 47 -9.256 5.695 11.077 1.00 0.32 C ATOM 716 CG GLU A 47 -7.931 5.262 11.707 1.00 0.39 C ATOM 717 CD GLU A 47 -8.054 3.825 12.218 1.00 1.24 C ATOM 718 OE1 GLU A 47 -8.912 3.584 13.051 1.00 1.98 O ATOM 719 OE2 GLU A 47 -7.286 2.990 11.768 1.00 2.00 O ATOM 0 H GLU A 47 -7.821 5.369 8.952 1.00 0.21 H new ATOM 0 HA GLU A 47 -9.919 3.777 10.335 1.00 0.21 H new ATOM 0 HB2 GLU A 47 -9.176 6.716 10.703 1.00 0.32 H new ATOM 0 HB3 GLU A 47 -10.046 5.692 11.828 1.00 0.32 H new ATOM 0 HG2 GLU A 47 -7.128 5.331 10.973 1.00 0.39 H new ATOM 0 HG3 GLU A 47 -7.671 5.930 12.528 1.00 0.39 H new ATOM 726 N LYS A 48 -10.508 5.888 7.975 1.00 0.18 N ATOM 727 CA LYS A 48 -11.614 6.480 7.165 1.00 0.17 C ATOM 728 C LYS A 48 -12.208 5.400 6.257 1.00 0.15 C ATOM 729 O LYS A 48 -13.320 5.518 5.783 1.00 0.18 O ATOM 730 CB LYS A 48 -11.064 7.634 6.313 1.00 0.21 C ATOM 731 CG LYS A 48 -12.215 8.546 5.874 1.00 0.26 C ATOM 732 CD LYS A 48 -11.661 9.728 5.077 1.00 1.09 C ATOM 733 CE LYS A 48 -12.814 10.638 4.646 1.00 1.51 C ATOM 734 NZ LYS A 48 -12.271 11.815 3.908 1.00 2.16 N ATOM 0 H LYS A 48 -9.579 5.954 7.559 1.00 0.18 H new ATOM 0 HA LYS A 48 -12.391 6.863 7.827 1.00 0.17 H new ATOM 0 HB2 LYS A 48 -10.333 8.205 6.885 1.00 0.21 H new ATOM 0 HB3 LYS A 48 -10.547 7.239 5.439 1.00 0.21 H new ATOM 0 HG2 LYS A 48 -12.924 7.985 5.265 1.00 0.26 H new ATOM 0 HG3 LYS A 48 -12.759 8.907 6.747 1.00 0.26 H new ATOM 0 HD2 LYS A 48 -10.949 10.288 5.684 1.00 1.09 H new ATOM 0 HD3 LYS A 48 -11.120 9.369 4.201 1.00 1.09 H new ATOM 0 HE2 LYS A 48 -13.509 10.087 4.012 1.00 1.51 H new ATOM 0 HE3 LYS A 48 -13.375 10.970 5.520 1.00 1.51 H new ATOM 0 HZ1 LYS A 48 -13.055 12.433 3.615 1.00 2.16 H new ATOM 0 HZ2 LYS A 48 -11.625 12.345 4.527 1.00 2.16 H new ATOM 0 HZ3 LYS A 48 -11.754 11.489 3.066 1.00 2.16 H new ATOM 748 N TYR A 49 -11.472 4.343 6.021 1.00 0.13 N ATOM 749 CA TYR A 49 -11.977 3.232 5.153 1.00 0.13 C ATOM 750 C TYR A 49 -11.676 1.893 5.827 1.00 0.11 C ATOM 751 O TYR A 49 -10.806 1.155 5.409 1.00 0.11 O ATOM 752 CB TYR A 49 -11.285 3.295 3.783 1.00 0.15 C ATOM 753 CG TYR A 49 -11.956 4.343 2.926 1.00 0.16 C ATOM 754 CD1 TYR A 49 -13.211 4.072 2.350 1.00 0.19 C ATOM 755 CD2 TYR A 49 -11.334 5.587 2.708 1.00 0.17 C ATOM 756 CE1 TYR A 49 -13.844 5.044 1.553 1.00 0.21 C ATOM 757 CE2 TYR A 49 -11.967 6.561 1.911 1.00 0.20 C ATOM 758 CZ TYR A 49 -13.223 6.289 1.334 1.00 0.21 C ATOM 759 OH TYR A 49 -13.846 7.243 0.553 1.00 0.24 O ATOM 0 H TYR A 49 -10.534 4.200 6.395 1.00 0.13 H new ATOM 0 HA TYR A 49 -13.053 3.334 5.012 1.00 0.13 H new ATOM 0 HB2 TYR A 49 -10.229 3.534 3.908 1.00 0.15 H new ATOM 0 HB3 TYR A 49 -11.336 2.323 3.293 1.00 0.15 H new ATOM 0 HD1 TYR A 49 -13.688 3.118 2.520 1.00 0.19 H new ATOM 0 HD2 TYR A 49 -10.372 5.795 3.152 1.00 0.17 H new ATOM 0 HE1 TYR A 49 -14.806 4.835 1.109 1.00 0.21 H new ATOM 0 HE2 TYR A 49 -11.490 7.515 1.743 1.00 0.20 H new ATOM 0 HH TYR A 49 -13.345 7.361 -0.281 1.00 0.24 H new ATOM 769 N SER A 50 -12.396 1.573 6.866 1.00 0.12 N ATOM 770 CA SER A 50 -12.163 0.282 7.570 1.00 0.13 C ATOM 771 C SER A 50 -12.567 -0.873 6.653 1.00 0.13 C ATOM 772 O SER A 50 -12.391 -2.031 6.978 1.00 0.14 O ATOM 773 CB SER A 50 -13.008 0.240 8.841 1.00 0.16 C ATOM 774 OG SER A 50 -14.385 0.222 8.490 1.00 0.17 O ATOM 0 H SER A 50 -13.138 2.152 7.259 1.00 0.12 H new ATOM 0 HA SER A 50 -11.108 0.191 7.830 1.00 0.13 H new ATOM 0 HB2 SER A 50 -12.759 -0.644 9.428 1.00 0.16 H new ATOM 0 HB3 SER A 50 -12.791 1.108 9.464 1.00 0.16 H new ATOM 0 HG SER A 50 -14.930 0.193 9.304 1.00 0.17 H new ATOM 780 N ASN A 51 -13.119 -0.564 5.510 1.00 0.13 N ATOM 781 CA ASN A 51 -13.553 -1.631 4.560 1.00 0.15 C ATOM 782 C ASN A 51 -12.462 -1.866 3.515 1.00 0.13 C ATOM 783 O ASN A 51 -12.660 -2.580 2.552 1.00 0.14 O ATOM 784 CB ASN A 51 -14.829 -1.168 3.859 1.00 0.17 C ATOM 785 CG ASN A 51 -15.309 -2.247 2.887 1.00 0.20 C ATOM 786 OD1 ASN A 51 -15.177 -3.421 3.154 1.00 0.34 O ATOM 787 ND2 ASN A 51 -15.867 -1.893 1.761 1.00 0.32 N ATOM 0 H ASN A 51 -13.289 0.390 5.191 1.00 0.13 H new ATOM 0 HA ASN A 51 -13.734 -2.558 5.103 1.00 0.15 H new ATOM 0 HB2 ASN A 51 -15.604 -0.959 4.596 1.00 0.17 H new ATOM 0 HB3 ASN A 51 -14.642 -0.239 3.321 1.00 0.17 H new ATOM 0 HD21 ASN A 51 -16.192 -2.605 1.107 1.00 0.32 H new ATOM 0 HD22 ASN A 51 -15.978 -0.904 1.536 1.00 0.32 H new ATOM 794 N VAL A 52 -11.312 -1.265 3.698 1.00 0.11 N ATOM 795 CA VAL A 52 -10.190 -1.436 2.721 1.00 0.10 C ATOM 796 C VAL A 52 -8.945 -1.926 3.457 1.00 0.10 C ATOM 797 O VAL A 52 -8.726 -1.606 4.609 1.00 0.11 O ATOM 798 CB VAL A 52 -9.889 -0.086 2.070 1.00 0.11 C ATOM 799 CG1 VAL A 52 -8.654 -0.207 1.171 1.00 0.12 C ATOM 800 CG2 VAL A 52 -11.097 0.356 1.236 1.00 0.12 C ATOM 0 H VAL A 52 -11.100 -0.658 4.490 1.00 0.11 H new ATOM 0 HA VAL A 52 -10.473 -2.163 1.960 1.00 0.10 H new ATOM 0 HB VAL A 52 -9.692 0.655 2.845 1.00 0.11 H new ATOM 0 HG11 VAL A 52 -8.444 0.758 0.710 1.00 0.12 H new ATOM 0 HG12 VAL A 52 -7.797 -0.517 1.769 1.00 0.12 H new ATOM 0 HG13 VAL A 52 -8.841 -0.948 0.394 1.00 0.12 H new ATOM 0 HG21 VAL A 52 -10.885 1.319 0.771 1.00 0.12 H new ATOM 0 HG22 VAL A 52 -11.296 -0.385 0.462 1.00 0.12 H new ATOM 0 HG23 VAL A 52 -11.970 0.450 1.882 1.00 0.12 H new ATOM 810 N ILE A 53 -8.127 -2.702 2.796 1.00 0.09 N ATOM 811 CA ILE A 53 -6.884 -3.227 3.441 1.00 0.09 C ATOM 812 C ILE A 53 -5.688 -2.381 2.986 1.00 0.09 C ATOM 813 O ILE A 53 -5.492 -2.153 1.809 1.00 0.14 O ATOM 814 CB ILE A 53 -6.673 -4.686 3.011 1.00 0.09 C ATOM 815 CG1 ILE A 53 -8.021 -5.435 2.980 1.00 0.10 C ATOM 816 CG2 ILE A 53 -5.698 -5.384 3.966 1.00 0.11 C ATOM 817 CD1 ILE A 53 -8.770 -5.311 4.317 1.00 0.17 C ATOM 0 H ILE A 53 -8.266 -2.998 1.830 1.00 0.09 H new ATOM 0 HA ILE A 53 -6.976 -3.176 4.526 1.00 0.09 H new ATOM 0 HB ILE A 53 -6.247 -4.696 2.008 1.00 0.09 H new ATOM 0 HG12 ILE A 53 -8.641 -5.036 2.177 1.00 0.10 H new ATOM 0 HG13 ILE A 53 -7.848 -6.488 2.756 1.00 0.10 H new ATOM 0 HG21 ILE A 53 -5.557 -6.418 3.650 1.00 0.11 H new ATOM 0 HG22 ILE A 53 -4.739 -4.866 3.950 1.00 0.11 H new ATOM 0 HG23 ILE A 53 -6.104 -5.366 4.978 1.00 0.11 H new ATOM 0 HD11 ILE A 53 -9.715 -5.851 4.256 1.00 0.17 H new ATOM 0 HD12 ILE A 53 -8.161 -5.734 5.116 1.00 0.17 H new ATOM 0 HD13 ILE A 53 -8.966 -4.260 4.528 1.00 0.17 H new ATOM 829 N PHE A 54 -4.891 -1.915 3.915 1.00 0.08 N ATOM 830 CA PHE A 54 -3.697 -1.077 3.565 1.00 0.08 C ATOM 831 C PHE A 54 -2.423 -1.804 3.991 1.00 0.08 C ATOM 832 O PHE A 54 -2.307 -2.273 5.106 1.00 0.11 O ATOM 833 CB PHE A 54 -3.790 0.257 4.302 1.00 0.08 C ATOM 834 CG PHE A 54 -5.040 0.976 3.852 1.00 0.08 C ATOM 835 CD1 PHE A 54 -5.100 1.530 2.560 1.00 0.09 C ATOM 836 CD2 PHE A 54 -6.145 1.086 4.719 1.00 0.09 C ATOM 837 CE1 PHE A 54 -6.264 2.197 2.133 1.00 0.10 C ATOM 838 CE2 PHE A 54 -7.311 1.753 4.291 1.00 0.09 C ATOM 839 CZ PHE A 54 -7.369 2.309 2.998 1.00 0.09 C ATOM 0 H PHE A 54 -5.016 -2.080 4.914 1.00 0.08 H new ATOM 0 HA PHE A 54 -3.672 -0.903 2.489 1.00 0.08 H new ATOM 0 HB2 PHE A 54 -3.817 0.092 5.379 1.00 0.08 H new ATOM 0 HB3 PHE A 54 -2.909 0.865 4.094 1.00 0.08 H new ATOM 0 HD1 PHE A 54 -4.253 1.444 1.896 1.00 0.09 H new ATOM 0 HD2 PHE A 54 -6.099 0.660 5.710 1.00 0.09 H new ATOM 0 HE1 PHE A 54 -6.309 2.623 1.142 1.00 0.10 H new ATOM 0 HE2 PHE A 54 -8.159 1.838 4.954 1.00 0.09 H new ATOM 0 HZ PHE A 54 -8.261 2.821 2.670 1.00 0.09 H new ATOM 849 N LEU A 55 -1.468 -1.907 3.101 1.00 0.08 N ATOM 850 CA LEU A 55 -0.183 -2.609 3.419 1.00 0.09 C ATOM 851 C LEU A 55 0.960 -1.583 3.404 1.00 0.09 C ATOM 852 O LEU A 55 0.786 -0.450 2.999 1.00 0.10 O ATOM 853 CB LEU A 55 0.090 -3.680 2.345 1.00 0.10 C ATOM 854 CG LEU A 55 -0.713 -4.965 2.625 1.00 0.11 C ATOM 855 CD1 LEU A 55 -2.209 -4.641 2.808 1.00 0.12 C ATOM 856 CD2 LEU A 55 -0.520 -5.938 1.445 1.00 0.12 C ATOM 0 H LEU A 55 -1.523 -1.530 2.155 1.00 0.08 H new ATOM 0 HA LEU A 55 -0.251 -3.080 4.400 1.00 0.09 H new ATOM 0 HB2 LEU A 55 -0.174 -3.289 1.362 1.00 0.10 H new ATOM 0 HB3 LEU A 55 1.155 -3.911 2.320 1.00 0.10 H new ATOM 0 HG LEU A 55 -0.353 -5.424 3.546 1.00 0.11 H new ATOM 0 HD11 LEU A 55 -2.759 -5.561 3.005 1.00 0.12 H new ATOM 0 HD12 LEU A 55 -2.333 -3.957 3.648 1.00 0.12 H new ATOM 0 HD13 LEU A 55 -2.594 -4.175 1.901 1.00 0.12 H new ATOM 0 HD21 LEU A 55 -1.084 -6.852 1.631 1.00 0.12 H new ATOM 0 HD22 LEU A 55 -0.878 -5.472 0.527 1.00 0.12 H new ATOM 0 HD23 LEU A 55 0.538 -6.179 1.341 1.00 0.12 H new ATOM 868 N GLU A 56 2.130 -1.981 3.828 1.00 0.09 N ATOM 869 CA GLU A 56 3.300 -1.047 3.829 1.00 0.09 C ATOM 870 C GLU A 56 4.548 -1.856 3.466 1.00 0.09 C ATOM 871 O GLU A 56 4.634 -3.032 3.764 1.00 0.10 O ATOM 872 CB GLU A 56 3.462 -0.421 5.221 1.00 0.09 C ATOM 873 CG GLU A 56 4.422 0.776 5.149 1.00 0.11 C ATOM 874 CD GLU A 56 4.297 1.612 6.426 1.00 0.53 C ATOM 875 OE1 GLU A 56 4.666 1.113 7.477 1.00 1.31 O ATOM 876 OE2 GLU A 56 3.838 2.739 6.331 1.00 1.24 O ATOM 0 H GLU A 56 2.329 -2.919 4.176 1.00 0.09 H new ATOM 0 HA GLU A 56 3.150 -0.244 3.107 1.00 0.09 H new ATOM 0 HB2 GLU A 56 2.492 -0.098 5.599 1.00 0.09 H new ATOM 0 HB3 GLU A 56 3.845 -1.164 5.921 1.00 0.09 H new ATOM 0 HG2 GLU A 56 5.447 0.426 5.030 1.00 0.11 H new ATOM 0 HG3 GLU A 56 4.191 1.388 4.277 1.00 0.11 H new ATOM 883 N VAL A 57 5.504 -1.257 2.798 1.00 0.08 N ATOM 884 CA VAL A 57 6.723 -2.026 2.392 1.00 0.08 C ATOM 885 C VAL A 57 7.979 -1.146 2.457 1.00 0.09 C ATOM 886 O VAL A 57 7.951 0.030 2.144 1.00 0.14 O ATOM 887 CB VAL A 57 6.530 -2.517 0.954 1.00 0.09 C ATOM 888 CG1 VAL A 57 7.804 -3.218 0.479 1.00 0.10 C ATOM 889 CG2 VAL A 57 5.353 -3.497 0.905 1.00 0.09 C ATOM 0 H VAL A 57 5.494 -0.276 2.518 1.00 0.08 H new ATOM 0 HA VAL A 57 6.856 -2.864 3.076 1.00 0.08 H new ATOM 0 HB VAL A 57 6.322 -1.668 0.303 1.00 0.09 H new ATOM 0 HG11 VAL A 57 7.667 -3.568 -0.544 1.00 0.10 H new ATOM 0 HG12 VAL A 57 8.639 -2.518 0.515 1.00 0.10 H new ATOM 0 HG13 VAL A 57 8.015 -4.068 1.128 1.00 0.10 H new ATOM 0 HG21 VAL A 57 5.214 -3.848 -0.118 1.00 0.09 H new ATOM 0 HG22 VAL A 57 5.560 -4.347 1.555 1.00 0.09 H new ATOM 0 HG23 VAL A 57 4.447 -2.994 1.243 1.00 0.09 H new ATOM 899 N ASP A 58 9.092 -1.734 2.836 1.00 0.09 N ATOM 900 CA ASP A 58 10.382 -0.979 2.901 1.00 0.09 C ATOM 901 C ASP A 58 11.151 -1.263 1.605 1.00 0.10 C ATOM 902 O ASP A 58 11.698 -2.330 1.413 1.00 0.11 O ATOM 903 CB ASP A 58 11.197 -1.455 4.114 1.00 0.11 C ATOM 904 CG ASP A 58 12.236 -0.394 4.487 1.00 0.13 C ATOM 905 OD1 ASP A 58 13.252 -0.327 3.818 1.00 1.06 O ATOM 906 OD2 ASP A 58 11.994 0.334 5.436 1.00 1.08 O ATOM 0 H ASP A 58 9.159 -2.715 3.105 1.00 0.09 H new ATOM 0 HA ASP A 58 10.201 0.091 3.007 1.00 0.09 H new ATOM 0 HB2 ASP A 58 10.534 -1.641 4.959 1.00 0.11 H new ATOM 0 HB3 ASP A 58 11.693 -2.398 3.884 1.00 0.11 H new ATOM 911 N VAL A 59 11.148 -0.328 0.701 1.00 0.12 N ATOM 912 CA VAL A 59 11.822 -0.535 -0.615 1.00 0.15 C ATOM 913 C VAL A 59 13.345 -0.700 -0.484 1.00 0.18 C ATOM 914 O VAL A 59 14.014 -0.918 -1.475 1.00 0.27 O ATOM 915 CB VAL A 59 11.511 0.670 -1.516 1.00 0.19 C ATOM 916 CG1 VAL A 59 10.117 0.506 -2.127 1.00 0.19 C ATOM 917 CG2 VAL A 59 11.547 1.958 -0.679 1.00 0.22 C ATOM 0 H VAL A 59 10.703 0.583 0.816 1.00 0.12 H new ATOM 0 HA VAL A 59 11.440 -1.460 -1.046 1.00 0.15 H new ATOM 0 HB VAL A 59 12.255 0.728 -2.311 1.00 0.19 H new ATOM 0 HG11 VAL A 59 9.897 1.361 -2.766 1.00 0.19 H new ATOM 0 HG12 VAL A 59 10.085 -0.408 -2.720 1.00 0.19 H new ATOM 0 HG13 VAL A 59 9.375 0.448 -1.331 1.00 0.19 H new ATOM 0 HG21 VAL A 59 11.326 2.813 -1.318 1.00 0.22 H new ATOM 0 HG22 VAL A 59 10.803 1.897 0.115 1.00 0.22 H new ATOM 0 HG23 VAL A 59 12.537 2.079 -0.240 1.00 0.22 H new ATOM 927 N ASP A 60 13.910 -0.590 0.696 1.00 0.16 N ATOM 928 CA ASP A 60 15.405 -0.735 0.830 1.00 0.18 C ATOM 929 C ASP A 60 15.761 -1.894 1.773 1.00 0.17 C ATOM 930 O ASP A 60 16.751 -2.570 1.576 1.00 0.18 O ATOM 931 CB ASP A 60 15.992 0.572 1.359 1.00 0.21 C ATOM 932 CG ASP A 60 15.689 1.695 0.369 1.00 0.24 C ATOM 933 OD1 ASP A 60 14.653 1.636 -0.265 1.00 1.08 O ATOM 934 OD2 ASP A 60 16.511 2.586 0.248 1.00 1.11 O ATOM 0 H ASP A 60 13.411 -0.408 1.567 1.00 0.16 H new ATOM 0 HA ASP A 60 15.827 -0.957 -0.150 1.00 0.18 H new ATOM 0 HB2 ASP A 60 15.567 0.807 2.335 1.00 0.21 H new ATOM 0 HB3 ASP A 60 17.069 0.472 1.496 1.00 0.21 H new ATOM 939 N ASP A 61 14.966 -2.148 2.782 1.00 0.17 N ATOM 940 CA ASP A 61 15.270 -3.285 3.716 1.00 0.17 C ATOM 941 C ASP A 61 14.487 -4.520 3.257 1.00 0.16 C ATOM 942 O ASP A 61 14.851 -5.641 3.553 1.00 0.18 O ATOM 943 CB ASP A 61 14.889 -2.882 5.153 1.00 0.19 C ATOM 944 CG ASP A 61 14.662 -4.112 6.034 1.00 0.22 C ATOM 945 OD1 ASP A 61 15.608 -4.855 6.233 1.00 1.07 O ATOM 946 OD2 ASP A 61 13.550 -4.279 6.508 1.00 1.12 O ATOM 0 H ASP A 61 14.121 -1.621 3.002 1.00 0.17 H new ATOM 0 HA ASP A 61 16.334 -3.521 3.703 1.00 0.17 H new ATOM 0 HB2 ASP A 61 15.679 -2.266 5.582 1.00 0.19 H new ATOM 0 HB3 ASP A 61 13.985 -2.273 5.135 1.00 0.19 H new ATOM 951 N ALA A 62 13.435 -4.317 2.506 1.00 0.16 N ATOM 952 CA ALA A 62 12.631 -5.462 1.979 1.00 0.16 C ATOM 953 C ALA A 62 12.846 -5.520 0.466 1.00 0.16 C ATOM 954 O ALA A 62 11.917 -5.644 -0.307 1.00 0.15 O ATOM 955 CB ALA A 62 11.145 -5.238 2.286 1.00 0.17 C ATOM 0 H ALA A 62 13.094 -3.395 2.232 1.00 0.16 H new ATOM 0 HA ALA A 62 12.942 -6.397 2.446 1.00 0.16 H new ATOM 0 HB1 ALA A 62 10.563 -6.075 1.900 1.00 0.17 H new ATOM 0 HB2 ALA A 62 11.003 -5.164 3.364 1.00 0.17 H new ATOM 0 HB3 ALA A 62 10.811 -4.315 1.812 1.00 0.17 H new ATOM 961 N GLN A 63 14.078 -5.405 0.048 1.00 0.20 N ATOM 962 CA GLN A 63 14.398 -5.421 -1.409 1.00 0.22 C ATOM 963 C GLN A 63 13.792 -6.653 -2.084 1.00 0.20 C ATOM 964 O GLN A 63 13.699 -6.718 -3.293 1.00 0.20 O ATOM 965 CB GLN A 63 15.921 -5.431 -1.601 1.00 0.29 C ATOM 966 CG GLN A 63 16.555 -6.566 -0.786 1.00 0.90 C ATOM 967 CD GLN A 63 16.304 -7.906 -1.479 1.00 1.53 C ATOM 968 OE1 GLN A 63 16.700 -8.102 -2.611 1.00 2.17 O ATOM 969 NE2 GLN A 63 15.657 -8.845 -0.843 1.00 2.22 N ATOM 0 H GLN A 63 14.886 -5.299 0.662 1.00 0.20 H new ATOM 0 HA GLN A 63 13.973 -4.528 -1.867 1.00 0.22 H new ATOM 0 HB2 GLN A 63 16.160 -5.556 -2.657 1.00 0.29 H new ATOM 0 HB3 GLN A 63 16.339 -4.474 -1.290 1.00 0.29 H new ATOM 0 HG2 GLN A 63 17.627 -6.396 -0.681 1.00 0.90 H new ATOM 0 HG3 GLN A 63 16.135 -6.582 0.220 1.00 0.90 H new ATOM 0 HE21 GLN A 63 15.324 -8.681 0.107 1.00 2.22 H new ATOM 0 HE22 GLN A 63 15.484 -9.742 -1.296 1.00 2.22 H new ATOM 978 N ASP A 64 13.377 -7.630 -1.328 1.00 0.19 N ATOM 979 CA ASP A 64 12.781 -8.838 -1.960 1.00 0.20 C ATOM 980 C ASP A 64 11.421 -8.467 -2.552 1.00 0.17 C ATOM 981 O ASP A 64 11.055 -8.912 -3.621 1.00 0.19 O ATOM 982 CB ASP A 64 12.609 -9.936 -0.907 1.00 0.22 C ATOM 983 CG ASP A 64 12.124 -9.319 0.406 1.00 0.23 C ATOM 984 OD1 ASP A 64 12.925 -8.682 1.071 1.00 1.09 O ATOM 985 OD2 ASP A 64 10.959 -9.494 0.726 1.00 1.11 O ATOM 0 H ASP A 64 13.424 -7.645 -0.309 1.00 0.19 H new ATOM 0 HA ASP A 64 13.436 -9.205 -2.750 1.00 0.20 H new ATOM 0 HB2 ASP A 64 11.893 -10.680 -1.257 1.00 0.22 H new ATOM 0 HB3 ASP A 64 13.555 -10.454 -0.749 1.00 0.22 H new ATOM 990 N VAL A 65 10.675 -7.643 -1.871 1.00 0.15 N ATOM 991 CA VAL A 65 9.348 -7.232 -2.400 1.00 0.16 C ATOM 992 C VAL A 65 9.563 -6.234 -3.540 1.00 0.16 C ATOM 993 O VAL A 65 8.984 -6.351 -4.602 1.00 0.19 O ATOM 994 CB VAL A 65 8.535 -6.575 -1.281 1.00 0.16 C ATOM 995 CG1 VAL A 65 7.063 -6.502 -1.690 1.00 0.19 C ATOM 996 CG2 VAL A 65 8.670 -7.408 -0.003 1.00 0.18 C ATOM 0 H VAL A 65 10.928 -7.237 -0.970 1.00 0.15 H new ATOM 0 HA VAL A 65 8.805 -8.102 -2.769 1.00 0.16 H new ATOM 0 HB VAL A 65 8.909 -5.567 -1.103 1.00 0.16 H new ATOM 0 HG11 VAL A 65 6.486 -6.034 -0.892 1.00 0.19 H new ATOM 0 HG12 VAL A 65 6.967 -5.911 -2.601 1.00 0.19 H new ATOM 0 HG13 VAL A 65 6.685 -7.508 -1.869 1.00 0.19 H new ATOM 0 HG21 VAL A 65 8.093 -6.944 0.797 1.00 0.18 H new ATOM 0 HG22 VAL A 65 8.295 -8.415 -0.184 1.00 0.18 H new ATOM 0 HG23 VAL A 65 9.719 -7.459 0.289 1.00 0.18 H new ATOM 1006 N ALA A 66 10.404 -5.258 -3.328 1.00 0.16 N ATOM 1007 CA ALA A 66 10.676 -4.256 -4.397 1.00 0.18 C ATOM 1008 C ALA A 66 11.311 -4.961 -5.594 1.00 0.19 C ATOM 1009 O ALA A 66 11.067 -4.617 -6.732 1.00 0.20 O ATOM 1010 CB ALA A 66 11.638 -3.194 -3.866 1.00 0.22 C ATOM 0 H ALA A 66 10.916 -5.112 -2.458 1.00 0.16 H new ATOM 0 HA ALA A 66 9.743 -3.781 -4.701 1.00 0.18 H new ATOM 0 HB1 ALA A 66 11.838 -2.461 -4.647 1.00 0.22 H new ATOM 0 HB2 ALA A 66 11.191 -2.695 -3.006 1.00 0.22 H new ATOM 0 HB3 ALA A 66 12.573 -3.667 -3.565 1.00 0.22 H new ATOM 1016 N SER A 67 12.125 -5.950 -5.344 1.00 0.21 N ATOM 1017 CA SER A 67 12.773 -6.680 -6.466 1.00 0.26 C ATOM 1018 C SER A 67 11.694 -7.370 -7.301 1.00 0.26 C ATOM 1019 O SER A 67 11.691 -7.300 -8.514 1.00 0.29 O ATOM 1020 CB SER A 67 13.735 -7.727 -5.906 1.00 0.31 C ATOM 1021 OG SER A 67 14.882 -7.077 -5.371 1.00 1.29 O ATOM 0 H SER A 67 12.368 -6.283 -4.411 1.00 0.21 H new ATOM 0 HA SER A 67 13.328 -5.980 -7.090 1.00 0.26 H new ATOM 0 HB2 SER A 67 13.241 -8.313 -5.131 1.00 0.31 H new ATOM 0 HB3 SER A 67 14.031 -8.422 -6.692 1.00 0.31 H new ATOM 0 HG SER A 67 14.628 -6.570 -4.572 1.00 1.29 H new ATOM 1027 N GLU A 68 10.773 -8.035 -6.658 1.00 0.26 N ATOM 1028 CA GLU A 68 9.687 -8.728 -7.405 1.00 0.30 C ATOM 1029 C GLU A 68 8.814 -7.693 -8.126 1.00 0.31 C ATOM 1030 O GLU A 68 8.366 -7.911 -9.234 1.00 0.36 O ATOM 1031 CB GLU A 68 8.829 -9.529 -6.419 1.00 0.31 C ATOM 1032 CG GLU A 68 8.007 -10.573 -7.178 1.00 0.39 C ATOM 1033 CD GLU A 68 8.915 -11.728 -7.605 1.00 1.43 C ATOM 1034 OE1 GLU A 68 9.486 -11.639 -8.680 1.00 2.19 O ATOM 1035 OE2 GLU A 68 9.022 -12.682 -6.853 1.00 2.20 O ATOM 0 H GLU A 68 10.727 -8.128 -5.643 1.00 0.26 H new ATOM 0 HA GLU A 68 10.123 -9.402 -8.142 1.00 0.30 H new ATOM 0 HB2 GLU A 68 9.466 -10.019 -5.683 1.00 0.31 H new ATOM 0 HB3 GLU A 68 8.166 -8.859 -5.871 1.00 0.31 H new ATOM 0 HG2 GLU A 68 7.200 -10.945 -6.546 1.00 0.39 H new ATOM 0 HG3 GLU A 68 7.543 -10.119 -8.053 1.00 0.39 H new ATOM 1042 N ALA A 69 8.561 -6.572 -7.501 1.00 0.29 N ATOM 1043 CA ALA A 69 7.706 -5.526 -8.144 1.00 0.31 C ATOM 1044 C ALA A 69 8.573 -4.573 -8.974 1.00 0.29 C ATOM 1045 O ALA A 69 8.072 -3.717 -9.677 1.00 0.33 O ATOM 1046 CB ALA A 69 6.976 -4.733 -7.058 1.00 0.31 C ATOM 0 H ALA A 69 8.909 -6.334 -6.572 1.00 0.29 H new ATOM 0 HA ALA A 69 6.982 -6.010 -8.800 1.00 0.31 H new ATOM 0 HB1 ALA A 69 6.352 -3.970 -7.522 1.00 0.31 H new ATOM 0 HB2 ALA A 69 6.350 -5.407 -6.474 1.00 0.31 H new ATOM 0 HB3 ALA A 69 7.705 -4.256 -6.403 1.00 0.31 H new ATOM 1052 N GLU A 70 9.868 -4.715 -8.906 1.00 0.27 N ATOM 1053 CA GLU A 70 10.761 -3.819 -9.698 1.00 0.29 C ATOM 1054 C GLU A 70 10.352 -2.355 -9.500 1.00 0.25 C ATOM 1055 O GLU A 70 10.047 -1.654 -10.446 1.00 0.26 O ATOM 1056 CB GLU A 70 10.654 -4.178 -11.182 1.00 0.38 C ATOM 1057 CG GLU A 70 11.334 -5.526 -11.432 1.00 1.18 C ATOM 1058 CD GLU A 70 11.003 -6.012 -12.844 1.00 1.61 C ATOM 1059 OE1 GLU A 70 9.860 -5.868 -13.246 1.00 2.34 O ATOM 1060 OE2 GLU A 70 11.900 -6.517 -13.500 1.00 2.06 O ATOM 0 H GLU A 70 10.348 -5.412 -8.337 1.00 0.27 H new ATOM 0 HA GLU A 70 11.788 -3.951 -9.358 1.00 0.29 H new ATOM 0 HB2 GLU A 70 9.607 -4.226 -11.481 1.00 0.38 H new ATOM 0 HB3 GLU A 70 11.123 -3.404 -11.789 1.00 0.38 H new ATOM 0 HG2 GLU A 70 12.413 -5.428 -11.314 1.00 1.18 H new ATOM 0 HG3 GLU A 70 10.998 -6.257 -10.697 1.00 1.18 H new ATOM 1067 N VAL A 71 10.355 -1.882 -8.283 1.00 0.22 N ATOM 1068 CA VAL A 71 9.980 -0.460 -8.033 1.00 0.19 C ATOM 1069 C VAL A 71 11.173 0.438 -8.366 1.00 0.23 C ATOM 1070 O VAL A 71 12.296 0.142 -8.006 1.00 0.28 O ATOM 1071 CB VAL A 71 9.596 -0.283 -6.564 1.00 0.18 C ATOM 1072 CG1 VAL A 71 8.965 1.093 -6.377 1.00 0.19 C ATOM 1073 CG2 VAL A 71 8.580 -1.359 -6.170 1.00 0.19 C ATOM 0 H VAL A 71 10.601 -2.418 -7.451 1.00 0.22 H new ATOM 0 HA VAL A 71 9.131 -0.187 -8.660 1.00 0.19 H new ATOM 0 HB VAL A 71 10.484 -0.373 -5.939 1.00 0.18 H new ATOM 0 HG11 VAL A 71 8.688 1.227 -5.331 1.00 0.19 H new ATOM 0 HG12 VAL A 71 9.680 1.863 -6.665 1.00 0.19 H new ATOM 0 HG13 VAL A 71 8.075 1.173 -7.001 1.00 0.19 H new ATOM 0 HG21 VAL A 71 8.305 -1.234 -5.123 1.00 0.19 H new ATOM 0 HG22 VAL A 71 7.690 -1.264 -6.792 1.00 0.19 H new ATOM 0 HG23 VAL A 71 9.020 -2.346 -6.314 1.00 0.19 H new ATOM 1083 N LYS A 72 10.943 1.528 -9.062 1.00 0.24 N ATOM 1084 CA LYS A 72 12.066 2.451 -9.441 1.00 0.29 C ATOM 1085 C LYS A 72 11.736 3.885 -9.011 1.00 0.26 C ATOM 1086 O LYS A 72 12.526 4.790 -9.190 1.00 0.27 O ATOM 1087 CB LYS A 72 12.259 2.405 -10.959 1.00 0.35 C ATOM 1088 CG LYS A 72 12.617 0.979 -11.381 1.00 0.43 C ATOM 1089 CD LYS A 72 12.503 0.848 -12.901 1.00 1.16 C ATOM 1090 CE LYS A 72 13.003 -0.531 -13.335 1.00 1.66 C ATOM 1091 NZ LYS A 72 14.489 -0.577 -13.223 1.00 2.40 N ATOM 0 H LYS A 72 10.021 1.820 -9.386 1.00 0.24 H new ATOM 0 HA LYS A 72 12.980 2.133 -8.940 1.00 0.29 H new ATOM 0 HB2 LYS A 72 11.348 2.727 -11.463 1.00 0.35 H new ATOM 0 HB3 LYS A 72 13.049 3.094 -11.258 1.00 0.35 H new ATOM 0 HG2 LYS A 72 13.631 0.738 -11.060 1.00 0.43 H new ATOM 0 HG3 LYS A 72 11.951 0.267 -10.894 1.00 0.43 H new ATOM 0 HD2 LYS A 72 11.467 0.985 -13.211 1.00 1.16 H new ATOM 0 HD3 LYS A 72 13.088 1.628 -13.388 1.00 1.16 H new ATOM 0 HE2 LYS A 72 12.556 -1.305 -12.711 1.00 1.66 H new ATOM 0 HE3 LYS A 72 12.698 -0.734 -14.362 1.00 1.66 H new ATOM 0 HZ1 LYS A 72 14.854 -1.380 -13.774 1.00 2.40 H new ATOM 0 HZ2 LYS A 72 14.892 0.308 -13.592 1.00 2.40 H new ATOM 0 HZ3 LYS A 72 14.759 -0.691 -12.225 1.00 2.40 H new ATOM 1105 N ALA A 73 10.580 4.103 -8.438 1.00 0.22 N ATOM 1106 CA ALA A 73 10.215 5.488 -7.991 1.00 0.20 C ATOM 1107 C ALA A 73 9.259 5.390 -6.802 1.00 0.18 C ATOM 1108 O ALA A 73 8.234 4.751 -6.879 1.00 0.16 O ATOM 1109 CB ALA A 73 9.540 6.245 -9.154 1.00 0.21 C ATOM 0 H ALA A 73 9.874 3.388 -8.260 1.00 0.22 H new ATOM 0 HA ALA A 73 11.111 6.031 -7.691 1.00 0.20 H new ATOM 0 HB1 ALA A 73 9.275 7.251 -8.828 1.00 0.21 H new ATOM 0 HB2 ALA A 73 10.229 6.306 -9.997 1.00 0.21 H new ATOM 0 HB3 ALA A 73 8.639 5.714 -9.460 1.00 0.21 H new ATOM 1115 N THR A 74 9.592 6.023 -5.700 1.00 0.18 N ATOM 1116 CA THR A 74 8.711 5.967 -4.489 1.00 0.17 C ATOM 1117 C THR A 74 8.089 7.360 -4.259 1.00 0.17 C ATOM 1118 O THR A 74 8.699 8.353 -4.605 1.00 0.19 O ATOM 1119 CB THR A 74 9.566 5.598 -3.254 1.00 0.19 C ATOM 1120 OG1 THR A 74 10.793 6.304 -3.317 1.00 0.22 O ATOM 1121 CG2 THR A 74 9.877 4.086 -3.199 1.00 0.19 C ATOM 0 H THR A 74 10.440 6.578 -5.588 1.00 0.18 H new ATOM 0 HA THR A 74 7.929 5.223 -4.637 1.00 0.17 H new ATOM 0 HB THR A 74 8.998 5.865 -2.363 1.00 0.19 H new ATOM 0 HG1 THR A 74 11.341 6.077 -2.537 1.00 0.22 H new ATOM 0 HG21 THR A 74 10.479 3.870 -2.316 1.00 0.19 H new ATOM 0 HG22 THR A 74 8.944 3.524 -3.148 1.00 0.19 H new ATOM 0 HG23 THR A 74 10.427 3.795 -4.094 1.00 0.19 H new ATOM 1129 N PRO A 75 6.917 7.417 -3.649 1.00 0.17 N ATOM 1130 CA PRO A 75 6.134 6.236 -3.208 1.00 0.16 C ATOM 1131 C PRO A 75 5.436 5.590 -4.414 1.00 0.14 C ATOM 1132 O PRO A 75 4.968 6.273 -5.304 1.00 0.14 O ATOM 1133 CB PRO A 75 5.086 6.813 -2.230 1.00 0.17 C ATOM 1134 CG PRO A 75 5.105 8.358 -2.402 1.00 0.20 C ATOM 1135 CD PRO A 75 6.295 8.710 -3.323 1.00 0.19 C ATOM 0 HA PRO A 75 6.755 5.468 -2.747 1.00 0.16 H new ATOM 0 HB2 PRO A 75 4.095 6.413 -2.447 1.00 0.17 H new ATOM 0 HB3 PRO A 75 5.324 6.536 -1.203 1.00 0.17 H new ATOM 0 HG2 PRO A 75 4.168 8.707 -2.837 1.00 0.20 H new ATOM 0 HG3 PRO A 75 5.210 8.850 -1.435 1.00 0.20 H new ATOM 0 HD2 PRO A 75 5.959 9.225 -4.223 1.00 0.19 H new ATOM 0 HD3 PRO A 75 7.000 9.372 -2.821 1.00 0.19 H new ATOM 1143 N THR A 76 5.348 4.280 -4.434 1.00 0.13 N ATOM 1144 CA THR A 76 4.661 3.579 -5.566 1.00 0.12 C ATOM 1145 C THR A 76 3.402 2.918 -5.023 1.00 0.12 C ATOM 1146 O THR A 76 3.468 1.952 -4.289 1.00 0.18 O ATOM 1147 CB THR A 76 5.581 2.499 -6.157 1.00 0.12 C ATOM 1148 OG1 THR A 76 6.910 2.989 -6.190 1.00 0.13 O ATOM 1149 CG2 THR A 76 5.128 2.157 -7.579 1.00 0.13 C ATOM 0 H THR A 76 5.724 3.665 -3.712 1.00 0.13 H new ATOM 0 HA THR A 76 4.414 4.298 -6.348 1.00 0.12 H new ATOM 0 HB THR A 76 5.534 1.602 -5.540 1.00 0.12 H new ATOM 0 HG1 THR A 76 6.924 3.868 -6.623 1.00 0.13 H new ATOM 0 HG21 THR A 76 5.782 1.391 -7.995 1.00 0.13 H new ATOM 0 HG22 THR A 76 4.104 1.785 -7.555 1.00 0.13 H new ATOM 0 HG23 THR A 76 5.175 3.051 -8.201 1.00 0.13 H new ATOM 1157 N PHE A 77 2.251 3.416 -5.371 1.00 0.09 N ATOM 1158 CA PHE A 77 1.005 2.786 -4.859 1.00 0.09 C ATOM 1159 C PHE A 77 0.606 1.660 -5.796 1.00 0.09 C ATOM 1160 O PHE A 77 0.327 1.871 -6.960 1.00 0.10 O ATOM 1161 CB PHE A 77 -0.121 3.811 -4.790 1.00 0.10 C ATOM 1162 CG PHE A 77 0.175 4.787 -3.687 1.00 0.10 C ATOM 1163 CD1 PHE A 77 -0.107 4.437 -2.354 1.00 0.09 C ATOM 1164 CD2 PHE A 77 0.726 6.046 -3.988 1.00 0.14 C ATOM 1165 CE1 PHE A 77 0.163 5.353 -1.316 1.00 0.09 C ATOM 1166 CE2 PHE A 77 0.997 6.962 -2.954 1.00 0.15 C ATOM 1167 CZ PHE A 77 0.716 6.618 -1.619 1.00 0.12 C ATOM 0 H PHE A 77 2.119 4.223 -5.981 1.00 0.09 H new ATOM 0 HA PHE A 77 1.184 2.398 -3.856 1.00 0.09 H new ATOM 0 HB2 PHE A 77 -0.213 4.334 -5.742 1.00 0.10 H new ATOM 0 HB3 PHE A 77 -1.073 3.313 -4.607 1.00 0.10 H new ATOM 0 HD1 PHE A 77 -0.529 3.469 -2.126 1.00 0.09 H new ATOM 0 HD2 PHE A 77 0.941 6.310 -5.013 1.00 0.14 H new ATOM 0 HE1 PHE A 77 -0.052 5.088 -0.291 1.00 0.09 H new ATOM 0 HE2 PHE A 77 1.420 7.928 -3.185 1.00 0.15 H new ATOM 0 HZ PHE A 77 0.923 7.321 -0.825 1.00 0.12 H new ATOM 1177 N GLN A 78 0.582 0.461 -5.289 1.00 0.07 N ATOM 1178 CA GLN A 78 0.205 -0.719 -6.112 1.00 0.07 C ATOM 1179 C GLN A 78 -1.079 -1.291 -5.533 1.00 0.06 C ATOM 1180 O GLN A 78 -1.233 -1.404 -4.333 1.00 0.07 O ATOM 1181 CB GLN A 78 1.335 -1.748 -6.038 1.00 0.08 C ATOM 1182 CG GLN A 78 2.677 -1.049 -6.287 1.00 0.12 C ATOM 1183 CD GLN A 78 3.734 -2.078 -6.696 1.00 0.14 C ATOM 1184 OE1 GLN A 78 3.421 -3.226 -6.939 1.00 0.81 O ATOM 1185 NE2 GLN A 78 4.983 -1.712 -6.781 1.00 1.03 N ATOM 0 H GLN A 78 0.813 0.245 -4.319 1.00 0.07 H new ATOM 0 HA GLN A 78 0.048 -0.448 -7.156 1.00 0.07 H new ATOM 0 HB2 GLN A 78 1.339 -2.230 -5.060 1.00 0.08 H new ATOM 0 HB3 GLN A 78 1.177 -2.532 -6.779 1.00 0.08 H new ATOM 0 HG2 GLN A 78 2.566 -0.298 -7.070 1.00 0.12 H new ATOM 0 HG3 GLN A 78 2.997 -0.525 -5.386 1.00 0.12 H new ATOM 0 HE21 GLN A 78 5.247 -0.748 -6.577 1.00 1.03 H new ATOM 0 HE22 GLN A 78 5.696 -2.390 -7.051 1.00 1.03 H new ATOM 1194 N PHE A 79 -2.020 -1.618 -6.378 1.00 0.06 N ATOM 1195 CA PHE A 79 -3.329 -2.146 -5.896 1.00 0.07 C ATOM 1196 C PHE A 79 -3.448 -3.623 -6.248 1.00 0.07 C ATOM 1197 O PHE A 79 -3.278 -4.021 -7.384 1.00 0.09 O ATOM 1198 CB PHE A 79 -4.456 -1.359 -6.573 1.00 0.08 C ATOM 1199 CG PHE A 79 -4.398 0.087 -6.119 1.00 0.08 C ATOM 1200 CD1 PHE A 79 -3.339 0.911 -6.536 1.00 0.09 C ATOM 1201 CD2 PHE A 79 -5.392 0.604 -5.276 1.00 0.09 C ATOM 1202 CE1 PHE A 79 -3.273 2.251 -6.114 1.00 0.11 C ATOM 1203 CE2 PHE A 79 -5.331 1.943 -4.846 1.00 0.10 C ATOM 1204 CZ PHE A 79 -4.271 2.767 -5.266 1.00 0.11 C ATOM 0 H PHE A 79 -1.936 -1.541 -7.392 1.00 0.06 H new ATOM 0 HA PHE A 79 -3.399 -2.035 -4.814 1.00 0.07 H new ATOM 0 HB2 PHE A 79 -4.356 -1.417 -7.657 1.00 0.08 H new ATOM 0 HB3 PHE A 79 -5.423 -1.794 -6.319 1.00 0.08 H new ATOM 0 HD1 PHE A 79 -2.572 0.513 -7.184 1.00 0.09 H new ATOM 0 HD2 PHE A 79 -6.207 -0.027 -4.955 1.00 0.09 H new ATOM 0 HE1 PHE A 79 -2.459 2.882 -6.440 1.00 0.11 H new ATOM 0 HE2 PHE A 79 -6.097 2.337 -4.195 1.00 0.10 H new ATOM 0 HZ PHE A 79 -4.223 3.795 -4.938 1.00 0.11 H new ATOM 1214 N PHE A 80 -3.742 -4.435 -5.268 1.00 0.07 N ATOM 1215 CA PHE A 80 -3.886 -5.902 -5.496 1.00 0.08 C ATOM 1216 C PHE A 80 -5.254 -6.340 -4.977 1.00 0.11 C ATOM 1217 O PHE A 80 -5.853 -5.682 -4.147 1.00 0.15 O ATOM 1218 CB PHE A 80 -2.794 -6.650 -4.727 1.00 0.09 C ATOM 1219 CG PHE A 80 -1.455 -6.443 -5.400 1.00 0.09 C ATOM 1220 CD1 PHE A 80 -1.088 -7.243 -6.500 1.00 0.14 C ATOM 1221 CD2 PHE A 80 -0.569 -5.458 -4.920 1.00 0.09 C ATOM 1222 CE1 PHE A 80 0.165 -7.057 -7.118 1.00 0.17 C ATOM 1223 CE2 PHE A 80 0.682 -5.273 -5.540 1.00 0.11 C ATOM 1224 CZ PHE A 80 1.049 -6.073 -6.637 1.00 0.14 C ATOM 0 H PHE A 80 -3.891 -4.138 -4.303 1.00 0.07 H new ATOM 0 HA PHE A 80 -3.794 -6.124 -6.559 1.00 0.08 H new ATOM 0 HB2 PHE A 80 -2.752 -6.293 -3.698 1.00 0.09 H new ATOM 0 HB3 PHE A 80 -3.030 -7.713 -4.686 1.00 0.09 H new ATOM 0 HD1 PHE A 80 -1.766 -7.998 -6.869 1.00 0.14 H new ATOM 0 HD2 PHE A 80 -0.849 -4.845 -4.076 1.00 0.09 H new ATOM 0 HE1 PHE A 80 0.447 -7.670 -7.961 1.00 0.17 H new ATOM 0 HE2 PHE A 80 1.360 -4.517 -5.173 1.00 0.11 H new ATOM 0 HZ PHE A 80 2.009 -5.932 -7.110 1.00 0.14 H new ATOM 1234 N LYS A 81 -5.754 -7.441 -5.455 1.00 0.11 N ATOM 1235 CA LYS A 81 -7.082 -7.922 -4.987 1.00 0.14 C ATOM 1236 C LYS A 81 -7.133 -9.432 -5.190 1.00 0.14 C ATOM 1237 O LYS A 81 -6.919 -9.921 -6.278 1.00 0.15 O ATOM 1238 CB LYS A 81 -8.191 -7.236 -5.803 1.00 0.20 C ATOM 1239 CG LYS A 81 -9.524 -7.303 -5.049 1.00 0.33 C ATOM 1240 CD LYS A 81 -10.556 -6.429 -5.768 1.00 0.60 C ATOM 1241 CE LYS A 81 -11.838 -6.352 -4.935 1.00 0.72 C ATOM 1242 NZ LYS A 81 -12.571 -7.646 -5.028 1.00 1.48 N ATOM 0 H LYS A 81 -5.300 -8.031 -6.152 1.00 0.11 H new ATOM 0 HA LYS A 81 -7.231 -7.684 -3.934 1.00 0.14 H new ATOM 0 HB2 LYS A 81 -7.923 -6.196 -5.991 1.00 0.20 H new ATOM 0 HB3 LYS A 81 -8.290 -7.720 -6.774 1.00 0.20 H new ATOM 0 HG2 LYS A 81 -9.875 -8.334 -4.999 1.00 0.33 H new ATOM 0 HG3 LYS A 81 -9.392 -6.961 -4.023 1.00 0.33 H new ATOM 0 HD2 LYS A 81 -10.153 -5.429 -5.926 1.00 0.60 H new ATOM 0 HD3 LYS A 81 -10.775 -6.843 -6.752 1.00 0.60 H new ATOM 0 HE2 LYS A 81 -11.596 -6.133 -3.895 1.00 0.72 H new ATOM 0 HE3 LYS A 81 -12.469 -5.538 -5.293 1.00 0.72 H new ATOM 0 HZ1 LYS A 81 -13.566 -7.465 -5.271 1.00 1.48 H new ATOM 0 HZ2 LYS A 81 -12.137 -8.239 -5.764 1.00 1.48 H new ATOM 0 HZ3 LYS A 81 -12.522 -8.139 -4.114 1.00 1.48 H new ATOM 1256 N LYS A 82 -7.392 -10.172 -4.147 1.00 0.16 N ATOM 1257 CA LYS A 82 -7.434 -11.655 -4.276 1.00 0.20 C ATOM 1258 C LYS A 82 -6.101 -12.150 -4.852 1.00 0.20 C ATOM 1259 O LYS A 82 -6.029 -13.204 -5.453 1.00 0.23 O ATOM 1260 CB LYS A 82 -8.587 -12.068 -5.205 1.00 0.21 C ATOM 1261 CG LYS A 82 -9.913 -12.040 -4.438 1.00 0.24 C ATOM 1262 CD LYS A 82 -11.039 -12.578 -5.328 1.00 0.36 C ATOM 1263 CE LYS A 82 -11.190 -11.705 -6.584 1.00 1.19 C ATOM 1264 NZ LYS A 82 -10.244 -12.177 -7.634 1.00 1.67 N ATOM 0 H LYS A 82 -7.576 -9.813 -3.210 1.00 0.16 H new ATOM 0 HA LYS A 82 -7.596 -12.100 -3.294 1.00 0.20 H new ATOM 0 HB2 LYS A 82 -8.637 -11.392 -6.059 1.00 0.21 H new ATOM 0 HB3 LYS A 82 -8.407 -13.068 -5.600 1.00 0.21 H new ATOM 0 HG2 LYS A 82 -9.833 -12.642 -3.533 1.00 0.24 H new ATOM 0 HG3 LYS A 82 -10.141 -11.021 -4.124 1.00 0.24 H new ATOM 0 HD2 LYS A 82 -10.824 -13.607 -5.616 1.00 0.36 H new ATOM 0 HD3 LYS A 82 -11.976 -12.592 -4.772 1.00 0.36 H new ATOM 0 HE2 LYS A 82 -12.214 -11.755 -6.953 1.00 1.19 H new ATOM 0 HE3 LYS A 82 -10.989 -10.662 -6.341 1.00 1.19 H new ATOM 0 HZ1 LYS A 82 -9.549 -11.430 -7.836 1.00 1.67 H new ATOM 0 HZ2 LYS A 82 -9.750 -13.029 -7.299 1.00 1.67 H new ATOM 0 HZ3 LYS A 82 -10.772 -12.402 -8.501 1.00 1.67 H new ATOM 1278 N GLY A 83 -5.045 -11.404 -4.660 1.00 0.19 N ATOM 1279 CA GLY A 83 -3.714 -11.838 -5.183 1.00 0.21 C ATOM 1280 C GLY A 83 -3.552 -11.399 -6.641 1.00 0.19 C ATOM 1281 O GLY A 83 -2.571 -11.720 -7.283 1.00 0.22 O ATOM 0 H GLY A 83 -5.046 -10.513 -4.164 1.00 0.19 H new ATOM 0 HA2 GLY A 83 -2.918 -11.408 -4.575 1.00 0.21 H new ATOM 0 HA3 GLY A 83 -3.621 -12.922 -5.109 1.00 0.21 H new ATOM 1285 N GLN A 84 -4.507 -10.674 -7.173 1.00 0.16 N ATOM 1286 CA GLN A 84 -4.416 -10.216 -8.602 1.00 0.17 C ATOM 1287 C GLN A 84 -4.180 -8.703 -8.657 1.00 0.16 C ATOM 1288 O GLN A 84 -4.680 -7.955 -7.841 1.00 0.14 O ATOM 1289 CB GLN A 84 -5.727 -10.531 -9.323 1.00 0.19 C ATOM 1290 CG GLN A 84 -6.088 -12.003 -9.118 1.00 0.23 C ATOM 1291 CD GLN A 84 -4.989 -12.883 -9.710 1.00 1.19 C ATOM 1292 OE1 GLN A 84 -5.087 -13.324 -10.837 1.00 1.86 O ATOM 1293 NE2 GLN A 84 -3.940 -13.161 -8.988 1.00 2.08 N ATOM 0 H GLN A 84 -5.349 -10.377 -6.680 1.00 0.16 H new ATOM 0 HA GLN A 84 -3.586 -10.734 -9.083 1.00 0.17 H new ATOM 0 HB2 GLN A 84 -6.525 -9.894 -8.941 1.00 0.19 H new ATOM 0 HB3 GLN A 84 -5.629 -10.316 -10.387 1.00 0.19 H new ATOM 0 HG2 GLN A 84 -6.206 -12.215 -8.055 1.00 0.23 H new ATOM 0 HG3 GLN A 84 -7.043 -12.224 -9.595 1.00 0.23 H new ATOM 0 HE21 GLN A 84 -3.859 -12.790 -8.041 1.00 2.08 H new ATOM 0 HE22 GLN A 84 -3.200 -13.750 -9.370 1.00 2.08 H new ATOM 1302 N LYS A 85 -3.429 -8.249 -9.627 1.00 0.17 N ATOM 1303 CA LYS A 85 -3.163 -6.785 -9.755 1.00 0.17 C ATOM 1304 C LYS A 85 -4.285 -6.144 -10.570 1.00 0.16 C ATOM 1305 O LYS A 85 -4.773 -6.721 -11.522 1.00 0.19 O ATOM 1306 CB LYS A 85 -1.827 -6.566 -10.468 1.00 0.20 C ATOM 1307 CG LYS A 85 -1.585 -5.058 -10.656 1.00 0.25 C ATOM 1308 CD LYS A 85 -0.095 -4.788 -10.897 1.00 0.30 C ATOM 1309 CE LYS A 85 0.323 -5.372 -12.248 1.00 0.89 C ATOM 1310 NZ LYS A 85 1.714 -4.940 -12.566 1.00 1.70 N ATOM 0 H LYS A 85 -2.987 -8.831 -10.338 1.00 0.17 H new ATOM 0 HA LYS A 85 -3.120 -6.332 -8.764 1.00 0.17 H new ATOM 0 HB2 LYS A 85 -1.016 -7.005 -9.887 1.00 0.20 H new ATOM 0 HB3 LYS A 85 -1.833 -7.067 -11.436 1.00 0.20 H new ATOM 0 HG2 LYS A 85 -2.170 -4.691 -11.499 1.00 0.25 H new ATOM 0 HG3 LYS A 85 -1.923 -4.515 -9.773 1.00 0.25 H new ATOM 0 HD2 LYS A 85 0.098 -3.715 -10.878 1.00 0.30 H new ATOM 0 HD3 LYS A 85 0.499 -5.233 -10.098 1.00 0.30 H new ATOM 0 HE2 LYS A 85 0.266 -6.460 -12.219 1.00 0.89 H new ATOM 0 HE3 LYS A 85 -0.361 -5.038 -13.028 1.00 0.89 H new ATOM 0 HZ1 LYS A 85 1.876 -5.018 -13.590 1.00 1.70 H new ATOM 0 HZ2 LYS A 85 1.847 -3.952 -12.269 1.00 1.70 H new ATOM 0 HZ3 LYS A 85 2.390 -5.548 -12.061 1.00 1.70 H new ATOM 1324 N VAL A 86 -4.707 -4.957 -10.197 1.00 0.15 N ATOM 1325 CA VAL A 86 -5.814 -4.271 -10.942 1.00 0.16 C ATOM 1326 C VAL A 86 -5.399 -2.842 -11.316 1.00 0.18 C ATOM 1327 O VAL A 86 -5.961 -2.247 -12.214 1.00 0.26 O ATOM 1328 CB VAL A 86 -7.057 -4.224 -10.051 1.00 0.16 C ATOM 1329 CG1 VAL A 86 -7.676 -5.620 -9.965 1.00 0.19 C ATOM 1330 CG2 VAL A 86 -6.659 -3.758 -8.648 1.00 0.17 C ATOM 0 H VAL A 86 -4.332 -4.433 -9.407 1.00 0.15 H new ATOM 0 HA VAL A 86 -6.029 -4.824 -11.857 1.00 0.16 H new ATOM 0 HB VAL A 86 -7.782 -3.530 -10.475 1.00 0.16 H new ATOM 0 HG11 VAL A 86 -8.562 -5.587 -9.330 1.00 0.19 H new ATOM 0 HG12 VAL A 86 -7.957 -5.955 -10.963 1.00 0.19 H new ATOM 0 HG13 VAL A 86 -6.951 -6.314 -9.540 1.00 0.19 H new ATOM 0 HG21 VAL A 86 -7.543 -3.724 -8.012 1.00 0.17 H new ATOM 0 HG22 VAL A 86 -5.934 -4.454 -8.225 1.00 0.17 H new ATOM 0 HG23 VAL A 86 -6.216 -2.764 -8.707 1.00 0.17 H new ATOM 1340 N GLY A 87 -4.429 -2.278 -10.644 1.00 0.15 N ATOM 1341 CA GLY A 87 -4.010 -0.886 -10.990 1.00 0.18 C ATOM 1342 C GLY A 87 -2.758 -0.491 -10.203 1.00 0.10 C ATOM 1343 O GLY A 87 -2.305 -1.207 -9.332 1.00 0.08 O ATOM 0 H GLY A 87 -3.914 -2.714 -9.879 1.00 0.15 H new ATOM 0 HA2 GLY A 87 -3.812 -0.815 -12.059 1.00 0.18 H new ATOM 0 HA3 GLY A 87 -4.820 -0.191 -10.769 1.00 0.18 H new ATOM 1347 N GLU A 88 -2.197 0.653 -10.507 1.00 0.10 N ATOM 1348 CA GLU A 88 -0.974 1.109 -9.783 1.00 0.10 C ATOM 1349 C GLU A 88 -0.611 2.529 -10.222 1.00 0.10 C ATOM 1350 O GLU A 88 -0.875 2.934 -11.337 1.00 0.11 O ATOM 1351 CB GLU A 88 0.187 0.162 -10.097 1.00 0.17 C ATOM 1352 CG GLU A 88 0.173 -0.188 -11.587 1.00 0.25 C ATOM 1353 CD GLU A 88 1.482 -0.883 -11.962 1.00 1.25 C ATOM 1354 OE1 GLU A 88 1.627 -2.049 -11.632 1.00 1.94 O ATOM 1355 OE2 GLU A 88 2.318 -0.239 -12.574 1.00 2.04 O ATOM 0 H GLU A 88 -2.535 1.291 -11.227 1.00 0.10 H new ATOM 0 HA GLU A 88 -1.168 1.105 -8.710 1.00 0.10 H new ATOM 0 HB2 GLU A 88 1.135 0.631 -9.832 1.00 0.17 H new ATOM 0 HB3 GLU A 88 0.102 -0.745 -9.499 1.00 0.17 H new ATOM 0 HG2 GLU A 88 -0.673 -0.838 -11.810 1.00 0.25 H new ATOM 0 HG3 GLU A 88 0.046 0.716 -12.182 1.00 0.25 H new ATOM 1362 N PHE A 89 0.011 3.283 -9.356 1.00 0.09 N ATOM 1363 CA PHE A 89 0.409 4.667 -9.730 1.00 0.09 C ATOM 1364 C PHE A 89 1.348 5.250 -8.671 1.00 0.09 C ATOM 1365 O PHE A 89 1.100 5.160 -7.487 1.00 0.12 O ATOM 1366 CB PHE A 89 -0.835 5.558 -9.909 1.00 0.09 C ATOM 1367 CG PHE A 89 -1.418 5.982 -8.575 1.00 0.09 C ATOM 1368 CD1 PHE A 89 -0.770 6.960 -7.790 1.00 0.12 C ATOM 1369 CD2 PHE A 89 -2.628 5.412 -8.122 1.00 0.10 C ATOM 1370 CE1 PHE A 89 -1.326 7.360 -6.563 1.00 0.14 C ATOM 1371 CE2 PHE A 89 -3.184 5.817 -6.894 1.00 0.10 C ATOM 1372 CZ PHE A 89 -2.533 6.791 -6.115 1.00 0.11 C ATOM 0 H PHE A 89 0.259 3.000 -8.408 1.00 0.09 H new ATOM 0 HA PHE A 89 0.940 4.634 -10.681 1.00 0.09 H new ATOM 0 HB2 PHE A 89 -0.569 6.443 -10.487 1.00 0.09 H new ATOM 0 HB3 PHE A 89 -1.590 5.018 -10.481 1.00 0.09 H new ATOM 0 HD1 PHE A 89 0.154 7.401 -8.133 1.00 0.12 H new ATOM 0 HD2 PHE A 89 -3.128 4.664 -8.719 1.00 0.10 H new ATOM 0 HE1 PHE A 89 -0.826 8.106 -5.962 1.00 0.14 H new ATOM 0 HE2 PHE A 89 -4.110 5.380 -6.550 1.00 0.10 H new ATOM 0 HZ PHE A 89 -2.960 7.102 -5.173 1.00 0.11 H new ATOM 1382 N SER A 90 2.430 5.856 -9.095 1.00 0.13 N ATOM 1383 CA SER A 90 3.399 6.463 -8.126 1.00 0.14 C ATOM 1384 C SER A 90 3.212 7.981 -8.121 1.00 0.14 C ATOM 1385 O SER A 90 2.211 8.495 -8.580 1.00 0.17 O ATOM 1386 CB SER A 90 4.825 6.126 -8.563 1.00 0.15 C ATOM 1387 OG SER A 90 5.224 7.021 -9.594 1.00 0.16 O ATOM 0 H SER A 90 2.686 5.957 -10.077 1.00 0.13 H new ATOM 0 HA SER A 90 3.223 6.068 -7.126 1.00 0.14 H new ATOM 0 HB2 SER A 90 5.505 6.203 -7.715 1.00 0.15 H new ATOM 0 HB3 SER A 90 4.875 5.097 -8.919 1.00 0.15 H new ATOM 0 HG SER A 90 6.038 7.494 -9.320 1.00 0.16 H new ATOM 1393 N GLY A 91 4.167 8.703 -7.604 1.00 0.12 N ATOM 1394 CA GLY A 91 4.044 10.191 -7.568 1.00 0.13 C ATOM 1395 C GLY A 91 3.233 10.603 -6.339 1.00 0.13 C ATOM 1396 O GLY A 91 2.182 10.058 -6.066 1.00 0.13 O ATOM 0 H GLY A 91 5.028 8.329 -7.204 1.00 0.12 H new ATOM 0 HA2 GLY A 91 5.033 10.648 -7.535 1.00 0.13 H new ATOM 0 HA3 GLY A 91 3.558 10.549 -8.475 1.00 0.13 H new ATOM 1400 N ALA A 92 3.716 11.553 -5.586 1.00 0.15 N ATOM 1401 CA ALA A 92 2.971 11.984 -4.365 1.00 0.17 C ATOM 1402 C ALA A 92 1.581 12.515 -4.733 1.00 0.15 C ATOM 1403 O ALA A 92 1.414 13.675 -5.053 1.00 0.16 O ATOM 1404 CB ALA A 92 3.753 13.091 -3.651 1.00 0.20 C ATOM 0 H ALA A 92 4.590 12.049 -5.761 1.00 0.15 H new ATOM 0 HA ALA A 92 2.858 11.120 -3.710 1.00 0.17 H new ATOM 0 HB1 ALA A 92 3.209 13.405 -2.760 1.00 0.20 H new ATOM 0 HB2 ALA A 92 4.735 12.715 -3.363 1.00 0.20 H new ATOM 0 HB3 ALA A 92 3.873 13.942 -4.321 1.00 0.20 H new ATOM 1410 N ASN A 93 0.577 11.685 -4.648 1.00 0.14 N ATOM 1411 CA ASN A 93 -0.814 12.143 -4.946 1.00 0.13 C ATOM 1412 C ASN A 93 -1.756 11.448 -3.960 1.00 0.12 C ATOM 1413 O ASN A 93 -2.403 10.470 -4.280 1.00 0.12 O ATOM 1414 CB ASN A 93 -1.186 11.784 -6.389 1.00 0.14 C ATOM 1415 CG ASN A 93 -2.340 12.676 -6.855 1.00 0.16 C ATOM 1416 OD1 ASN A 93 -3.318 12.840 -6.151 1.00 1.04 O ATOM 1417 ND2 ASN A 93 -2.268 13.263 -8.016 1.00 1.15 N ATOM 0 H ASN A 93 0.659 10.703 -4.384 1.00 0.14 H new ATOM 0 HA ASN A 93 -0.893 13.225 -4.840 1.00 0.13 H new ATOM 0 HB2 ASN A 93 -0.323 11.916 -7.042 1.00 0.14 H new ATOM 0 HB3 ASN A 93 -1.475 10.735 -6.451 1.00 0.14 H new ATOM 0 HD21 ASN A 93 -3.032 13.860 -8.334 1.00 1.15 H new ATOM 0 HD22 ASN A 93 -1.448 13.126 -8.607 1.00 1.15 H new ATOM 1424 N LYS A 94 -1.808 11.934 -2.750 1.00 0.17 N ATOM 1425 CA LYS A 94 -2.672 11.303 -1.710 1.00 0.20 C ATOM 1426 C LYS A 94 -4.152 11.406 -2.095 1.00 0.18 C ATOM 1427 O LYS A 94 -4.934 10.522 -1.809 1.00 0.18 O ATOM 1428 CB LYS A 94 -2.434 11.998 -0.357 1.00 0.29 C ATOM 1429 CG LYS A 94 -2.271 13.527 -0.557 1.00 0.38 C ATOM 1430 CD LYS A 94 -0.776 13.903 -0.632 1.00 0.88 C ATOM 1431 CE LYS A 94 -0.200 14.057 0.781 1.00 0.78 C ATOM 1432 NZ LYS A 94 -0.520 15.416 1.300 1.00 1.19 N ATOM 0 H LYS A 94 -1.284 12.750 -2.434 1.00 0.17 H new ATOM 0 HA LYS A 94 -2.412 10.247 -1.632 1.00 0.20 H new ATOM 0 HB2 LYS A 94 -3.270 11.799 0.313 1.00 0.29 H new ATOM 0 HB3 LYS A 94 -1.542 11.589 0.117 1.00 0.29 H new ATOM 0 HG2 LYS A 94 -2.777 13.837 -1.472 1.00 0.38 H new ATOM 0 HG3 LYS A 94 -2.746 14.061 0.266 1.00 0.38 H new ATOM 0 HD2 LYS A 94 -0.226 13.134 -1.175 1.00 0.88 H new ATOM 0 HD3 LYS A 94 -0.654 14.834 -1.186 1.00 0.88 H new ATOM 0 HE2 LYS A 94 -0.617 13.296 1.441 1.00 0.78 H new ATOM 0 HE3 LYS A 94 0.879 13.907 0.764 1.00 0.78 H new ATOM 0 HZ1 LYS A 94 0.351 15.873 1.638 1.00 1.19 H new ATOM 0 HZ2 LYS A 94 -0.938 15.989 0.539 1.00 1.19 H new ATOM 0 HZ3 LYS A 94 -1.197 15.337 2.086 1.00 1.19 H new ATOM 1446 N GLU A 95 -4.551 12.473 -2.728 1.00 0.19 N ATOM 1447 CA GLU A 95 -5.984 12.605 -3.105 1.00 0.20 C ATOM 1448 C GLU A 95 -6.340 11.518 -4.119 1.00 0.17 C ATOM 1449 O GLU A 95 -7.478 11.108 -4.233 1.00 0.18 O ATOM 1450 CB GLU A 95 -6.221 13.984 -3.726 1.00 0.24 C ATOM 1451 CG GLU A 95 -6.241 15.051 -2.627 1.00 0.33 C ATOM 1452 CD GLU A 95 -6.648 16.397 -3.230 1.00 1.16 C ATOM 1453 OE1 GLU A 95 -7.418 16.390 -4.176 1.00 1.95 O ATOM 1454 OE2 GLU A 95 -6.183 17.410 -2.735 1.00 1.86 O ATOM 0 H GLU A 95 -3.952 13.253 -2.999 1.00 0.19 H new ATOM 0 HA GLU A 95 -6.609 12.495 -2.219 1.00 0.20 H new ATOM 0 HB2 GLU A 95 -5.436 14.207 -4.448 1.00 0.24 H new ATOM 0 HB3 GLU A 95 -7.166 13.991 -4.270 1.00 0.24 H new ATOM 0 HG2 GLU A 95 -6.941 14.766 -1.841 1.00 0.33 H new ATOM 0 HG3 GLU A 95 -5.257 15.130 -2.164 1.00 0.33 H new ATOM 1461 N LYS A 96 -5.373 11.044 -4.855 1.00 0.14 N ATOM 1462 CA LYS A 96 -5.652 9.982 -5.859 1.00 0.14 C ATOM 1463 C LYS A 96 -6.005 8.680 -5.137 1.00 0.12 C ATOM 1464 O LYS A 96 -6.857 7.940 -5.573 1.00 0.12 O ATOM 1465 CB LYS A 96 -4.421 9.768 -6.749 1.00 0.16 C ATOM 1466 CG LYS A 96 -4.833 9.082 -8.053 1.00 0.21 C ATOM 1467 CD LYS A 96 -3.593 8.823 -8.912 1.00 0.24 C ATOM 1468 CE LYS A 96 -4.019 8.495 -10.344 1.00 1.18 C ATOM 1469 NZ LYS A 96 -4.788 9.639 -10.910 1.00 2.05 N ATOM 0 H LYS A 96 -4.401 11.347 -4.804 1.00 0.14 H new ATOM 0 HA LYS A 96 -6.491 10.288 -6.485 1.00 0.14 H new ATOM 0 HB2 LYS A 96 -3.947 10.726 -6.966 1.00 0.16 H new ATOM 0 HB3 LYS A 96 -3.684 9.159 -6.225 1.00 0.16 H new ATOM 0 HG2 LYS A 96 -5.340 8.142 -7.836 1.00 0.21 H new ATOM 0 HG3 LYS A 96 -5.540 9.708 -8.597 1.00 0.21 H new ATOM 0 HD2 LYS A 96 -2.945 9.700 -8.907 1.00 0.24 H new ATOM 0 HD3 LYS A 96 -3.016 7.997 -8.496 1.00 0.24 H new ATOM 0 HE2 LYS A 96 -3.141 8.294 -10.958 1.00 1.18 H new ATOM 0 HE3 LYS A 96 -4.630 7.592 -10.355 1.00 1.18 H new ATOM 0 HZ1 LYS A 96 -4.687 9.647 -11.945 1.00 2.05 H new ATOM 0 HZ2 LYS A 96 -5.793 9.539 -10.661 1.00 2.05 H new ATOM 0 HZ3 LYS A 96 -4.421 10.531 -10.520 1.00 2.05 H new ATOM 1483 N LEU A 97 -5.363 8.391 -4.035 1.00 0.11 N ATOM 1484 CA LEU A 97 -5.691 7.127 -3.311 1.00 0.11 C ATOM 1485 C LEU A 97 -7.198 7.075 -3.076 1.00 0.11 C ATOM 1486 O LEU A 97 -7.810 6.026 -3.119 1.00 0.11 O ATOM 1487 CB LEU A 97 -4.973 7.078 -1.950 1.00 0.12 C ATOM 1488 CG LEU A 97 -3.465 7.340 -2.108 1.00 0.12 C ATOM 1489 CD1 LEU A 97 -2.870 7.746 -0.752 1.00 0.15 C ATOM 1490 CD2 LEU A 97 -2.753 6.071 -2.604 1.00 0.13 C ATOM 0 H LEU A 97 -4.636 8.966 -3.610 1.00 0.11 H new ATOM 0 HA LEU A 97 -5.363 6.279 -3.912 1.00 0.11 H new ATOM 0 HB2 LEU A 97 -5.406 7.821 -1.280 1.00 0.12 H new ATOM 0 HB3 LEU A 97 -5.129 6.103 -1.488 1.00 0.12 H new ATOM 0 HG LEU A 97 -3.323 8.141 -2.834 1.00 0.12 H new ATOM 0 HD11 LEU A 97 -1.802 7.931 -0.864 1.00 0.15 H new ATOM 0 HD12 LEU A 97 -3.360 8.652 -0.396 1.00 0.15 H new ATOM 0 HD13 LEU A 97 -3.025 6.943 -0.032 1.00 0.15 H new ATOM 0 HD21 LEU A 97 -1.687 6.270 -2.711 1.00 0.13 H new ATOM 0 HD22 LEU A 97 -2.901 5.266 -1.884 1.00 0.13 H new ATOM 0 HD23 LEU A 97 -3.166 5.776 -3.569 1.00 0.13 H new ATOM 1502 N GLU A 98 -7.801 8.202 -2.826 1.00 0.13 N ATOM 1503 CA GLU A 98 -9.271 8.223 -2.585 1.00 0.14 C ATOM 1504 C GLU A 98 -10.008 7.847 -3.874 1.00 0.13 C ATOM 1505 O GLU A 98 -10.766 6.898 -3.916 1.00 0.13 O ATOM 1506 CB GLU A 98 -9.689 9.630 -2.139 1.00 0.16 C ATOM 1507 CG GLU A 98 -11.063 9.581 -1.462 1.00 0.21 C ATOM 1508 CD GLU A 98 -12.132 9.211 -2.492 1.00 1.34 C ATOM 1509 OE1 GLU A 98 -12.407 10.031 -3.352 1.00 2.05 O ATOM 1510 OE2 GLU A 98 -12.659 8.114 -2.404 1.00 2.15 O ATOM 0 H GLU A 98 -7.340 9.111 -2.778 1.00 0.13 H new ATOM 0 HA GLU A 98 -9.526 7.504 -1.806 1.00 0.14 H new ATOM 0 HB2 GLU A 98 -8.949 10.036 -1.449 1.00 0.16 H new ATOM 0 HB3 GLU A 98 -9.723 10.298 -3.000 1.00 0.16 H new ATOM 0 HG2 GLU A 98 -11.055 8.850 -0.653 1.00 0.21 H new ATOM 0 HG3 GLU A 98 -11.294 10.548 -1.015 1.00 0.21 H new ATOM 1517 N ALA A 99 -9.799 8.594 -4.922 1.00 0.13 N ATOM 1518 CA ALA A 99 -10.490 8.300 -6.210 1.00 0.14 C ATOM 1519 C ALA A 99 -10.137 6.893 -6.703 1.00 0.12 C ATOM 1520 O ALA A 99 -10.972 6.189 -7.227 1.00 0.13 O ATOM 1521 CB ALA A 99 -10.059 9.326 -7.260 1.00 0.15 C ATOM 0 H ALA A 99 -9.175 9.401 -4.942 1.00 0.13 H new ATOM 0 HA ALA A 99 -11.567 8.356 -6.051 1.00 0.14 H new ATOM 0 HB1 ALA A 99 -10.562 9.114 -8.203 1.00 0.15 H new ATOM 0 HB2 ALA A 99 -10.327 10.327 -6.922 1.00 0.15 H new ATOM 0 HB3 ALA A 99 -8.980 9.269 -7.403 1.00 0.15 H new ATOM 1527 N THR A 100 -8.906 6.481 -6.553 1.00 0.11 N ATOM 1528 CA THR A 100 -8.503 5.125 -7.033 1.00 0.11 C ATOM 1529 C THR A 100 -9.202 4.048 -6.201 1.00 0.10 C ATOM 1530 O THR A 100 -9.715 3.081 -6.728 1.00 0.11 O ATOM 1531 CB THR A 100 -6.987 4.965 -6.897 1.00 0.11 C ATOM 1532 OG1 THR A 100 -6.341 6.059 -7.533 1.00 0.13 O ATOM 1533 CG2 THR A 100 -6.547 3.659 -7.559 1.00 0.12 C ATOM 0 H THR A 100 -8.161 7.025 -6.118 1.00 0.11 H new ATOM 0 HA THR A 100 -8.792 5.016 -8.078 1.00 0.11 H new ATOM 0 HB THR A 100 -6.717 4.943 -5.841 1.00 0.11 H new ATOM 0 HG1 THR A 100 -6.419 6.857 -6.970 1.00 0.13 H new ATOM 0 HG21 THR A 100 -5.467 3.547 -7.461 1.00 0.12 H new ATOM 0 HG22 THR A 100 -7.044 2.819 -7.073 1.00 0.12 H new ATOM 0 HG23 THR A 100 -6.815 3.678 -8.615 1.00 0.12 H new ATOM 1541 N ILE A 101 -9.226 4.204 -4.909 1.00 0.10 N ATOM 1542 CA ILE A 101 -9.894 3.183 -4.051 1.00 0.11 C ATOM 1543 C ILE A 101 -11.377 3.100 -4.431 1.00 0.13 C ATOM 1544 O ILE A 101 -11.898 2.037 -4.703 1.00 0.14 O ATOM 1545 CB ILE A 101 -9.745 3.580 -2.570 1.00 0.13 C ATOM 1546 CG1 ILE A 101 -8.291 3.326 -2.117 1.00 0.14 C ATOM 1547 CG2 ILE A 101 -10.706 2.749 -1.707 1.00 0.16 C ATOM 1548 CD1 ILE A 101 -7.967 4.133 -0.849 1.00 0.18 C ATOM 0 H ILE A 101 -8.814 4.991 -4.409 1.00 0.10 H new ATOM 0 HA ILE A 101 -9.430 2.208 -4.203 1.00 0.11 H new ATOM 0 HB ILE A 101 -9.986 4.637 -2.454 1.00 0.13 H new ATOM 0 HG12 ILE A 101 -8.145 2.263 -1.924 1.00 0.14 H new ATOM 0 HG13 ILE A 101 -7.603 3.602 -2.916 1.00 0.14 H new ATOM 0 HG21 ILE A 101 -10.595 3.035 -0.661 1.00 0.16 H new ATOM 0 HG22 ILE A 101 -11.732 2.931 -2.026 1.00 0.16 H new ATOM 0 HG23 ILE A 101 -10.474 1.690 -1.820 1.00 0.16 H new ATOM 0 HD11 ILE A 101 -6.938 3.939 -0.547 1.00 0.18 H new ATOM 0 HD12 ILE A 101 -8.091 5.197 -1.053 1.00 0.18 H new ATOM 0 HD13 ILE A 101 -8.642 3.836 -0.046 1.00 0.18 H new ATOM 1560 N ASN A 102 -12.061 4.210 -4.450 1.00 0.14 N ATOM 1561 CA ASN A 102 -13.507 4.183 -4.808 1.00 0.17 C ATOM 1562 C ASN A 102 -13.669 3.638 -6.229 1.00 0.18 C ATOM 1563 O ASN A 102 -14.743 3.237 -6.634 1.00 0.21 O ATOM 1564 CB ASN A 102 -14.071 5.606 -4.737 1.00 0.19 C ATOM 1565 CG ASN A 102 -15.601 5.553 -4.724 1.00 0.26 C ATOM 1566 OD1 ASN A 102 -16.214 5.133 -5.685 1.00 0.81 O ATOM 1567 ND2 ASN A 102 -16.246 5.965 -3.668 1.00 1.03 N ATOM 0 H ASN A 102 -11.683 5.132 -4.234 1.00 0.14 H new ATOM 0 HA ASN A 102 -14.046 3.542 -4.111 1.00 0.17 H new ATOM 0 HB2 ASN A 102 -13.707 6.108 -3.840 1.00 0.19 H new ATOM 0 HB3 ASN A 102 -13.725 6.188 -5.591 1.00 0.19 H new ATOM 0 HD21 ASN A 102 -17.265 5.935 -3.649 1.00 1.03 H new ATOM 0 HD22 ASN A 102 -15.731 6.318 -2.861 1.00 1.03 H new ATOM 1574 N GLU A 103 -12.610 3.626 -6.989 1.00 0.16 N ATOM 1575 CA GLU A 103 -12.693 3.117 -8.388 1.00 0.18 C ATOM 1576 C GLU A 103 -12.712 1.585 -8.396 1.00 0.19 C ATOM 1577 O GLU A 103 -13.650 0.965 -8.854 1.00 0.22 O ATOM 1578 CB GLU A 103 -11.471 3.606 -9.175 1.00 0.17 C ATOM 1579 CG GLU A 103 -11.746 3.497 -10.678 1.00 0.22 C ATOM 1580 CD GLU A 103 -12.742 4.581 -11.098 1.00 1.25 C ATOM 1581 OE1 GLU A 103 -12.633 5.686 -10.591 1.00 2.01 O ATOM 1582 OE2 GLU A 103 -13.594 4.288 -11.919 1.00 2.02 O ATOM 0 H GLU A 103 -11.686 3.948 -6.701 1.00 0.16 H new ATOM 0 HA GLU A 103 -13.610 3.488 -8.846 1.00 0.18 H new ATOM 0 HB2 GLU A 103 -11.246 4.639 -8.911 1.00 0.17 H new ATOM 0 HB3 GLU A 103 -10.596 3.012 -8.912 1.00 0.17 H new ATOM 0 HG2 GLU A 103 -10.817 3.607 -11.237 1.00 0.22 H new ATOM 0 HG3 GLU A 103 -12.145 2.511 -10.914 1.00 0.22 H new ATOM 1589 N LEU A 104 -11.659 0.977 -7.920 1.00 0.17 N ATOM 1590 CA LEU A 104 -11.574 -0.514 -7.922 1.00 0.19 C ATOM 1591 C LEU A 104 -12.115 -1.087 -6.608 1.00 0.19 C ATOM 1592 O LEU A 104 -11.783 -2.191 -6.224 1.00 0.21 O ATOM 1593 CB LEU A 104 -10.106 -0.921 -8.094 1.00 0.17 C ATOM 1594 CG LEU A 104 -9.536 -0.292 -9.374 1.00 0.20 C ATOM 1595 CD1 LEU A 104 -8.013 -0.425 -9.370 1.00 0.20 C ATOM 1596 CD2 LEU A 104 -10.108 -0.999 -10.615 1.00 0.35 C ATOM 0 H LEU A 104 -10.847 1.452 -7.526 1.00 0.17 H new ATOM 0 HA LEU A 104 -12.175 -0.908 -8.742 1.00 0.19 H new ATOM 0 HB2 LEU A 104 -9.526 -0.597 -7.230 1.00 0.17 H new ATOM 0 HB3 LEU A 104 -10.024 -2.007 -8.144 1.00 0.17 H new ATOM 0 HG LEU A 104 -9.815 0.761 -9.406 1.00 0.20 H new ATOM 0 HD11 LEU A 104 -7.606 0.021 -10.278 1.00 0.20 H new ATOM 0 HD12 LEU A 104 -7.605 0.089 -8.499 1.00 0.20 H new ATOM 0 HD13 LEU A 104 -7.740 -1.479 -9.330 1.00 0.20 H new ATOM 0 HD21 LEU A 104 -9.696 -0.544 -11.515 1.00 0.35 H new ATOM 0 HD22 LEU A 104 -9.840 -2.055 -10.588 1.00 0.35 H new ATOM 0 HD23 LEU A 104 -11.193 -0.900 -10.622 1.00 0.35 H new ATOM 1608 N VAL A 105 -12.950 -0.359 -5.919 1.00 0.20 N ATOM 1609 CA VAL A 105 -13.506 -0.886 -4.640 1.00 0.22 C ATOM 1610 C VAL A 105 -14.348 -2.131 -4.931 1.00 0.26 C ATOM 1611 O VAL A 105 -14.878 -2.221 -6.027 1.00 1.04 O ATOM 1612 CB VAL A 105 -14.382 0.181 -3.980 1.00 0.23 C ATOM 1613 CG1 VAL A 105 -15.458 0.638 -4.966 1.00 0.24 C ATOM 1614 CG2 VAL A 105 -15.051 -0.406 -2.735 1.00 0.27 C ATOM 1615 OXT VAL A 105 -14.446 -2.974 -4.054 1.00 1.18 O ATOM 0 H VAL A 105 -13.270 0.573 -6.184 1.00 0.20 H new ATOM 0 HA VAL A 105 -12.688 -1.145 -3.967 1.00 0.22 H new ATOM 0 HB VAL A 105 -13.764 1.032 -3.694 1.00 0.23 H new ATOM 0 HG11 VAL A 105 -16.082 1.398 -4.497 1.00 0.24 H new ATOM 0 HG12 VAL A 105 -14.984 1.056 -5.854 1.00 0.24 H new ATOM 0 HG13 VAL A 105 -16.076 -0.214 -5.251 1.00 0.24 H new ATOM 0 HG21 VAL A 105 -15.675 0.354 -2.265 1.00 0.27 H new ATOM 0 HG22 VAL A 105 -15.669 -1.257 -3.021 1.00 0.27 H new ATOM 0 HG23 VAL A 105 -14.286 -0.734 -2.031 1.00 0.27 H new TER 1625 VAL A 105 ATOM 1626 N PHE B 1 24.078 -0.029 4.874 1.00 0.00 N ATOM 1627 CA PHE B 1 23.248 1.193 4.682 1.00 0.00 C ATOM 1628 C PHE B 1 21.822 0.785 4.298 1.00 0.00 C ATOM 1629 O PHE B 1 21.454 -0.369 4.393 1.00 0.00 O ATOM 1630 CB PHE B 1 23.859 2.055 3.573 1.00 0.00 C ATOM 1631 CG PHE B 1 23.940 1.260 2.292 1.00 0.00 C ATOM 1632 CD1 PHE B 1 25.015 0.375 2.075 1.00 0.00 C ATOM 1633 CD2 PHE B 1 22.941 1.404 1.315 1.00 0.00 C ATOM 1634 CE1 PHE B 1 25.088 -0.364 0.878 1.00 0.00 C ATOM 1635 CE2 PHE B 1 23.011 0.666 0.119 1.00 0.00 C ATOM 1636 CZ PHE B 1 24.085 -0.219 -0.101 1.00 0.00 C ATOM 0 H1 PHE B 1 24.828 0.166 5.567 1.00 0.00 H new ATOM 0 H2 PHE B 1 23.479 -0.805 5.222 1.00 0.00 H new ATOM 0 H3 PHE B 1 24.507 -0.303 3.967 1.00 0.00 H new ATOM 0 HA PHE B 1 23.220 1.767 5.608 1.00 0.00 H new ATOM 0 HB2 PHE B 1 23.254 2.948 3.419 1.00 0.00 H new ATOM 0 HB3 PHE B 1 24.854 2.390 3.867 1.00 0.00 H new ATOM 0 HD1 PHE B 1 25.783 0.263 2.826 1.00 0.00 H new ATOM 0 HD2 PHE B 1 22.118 2.083 1.482 1.00 0.00 H new ATOM 0 HE1 PHE B 1 25.912 -1.041 0.711 1.00 0.00 H new ATOM 0 HE2 PHE B 1 22.241 0.778 -0.630 1.00 0.00 H new ATOM 0 HZ PHE B 1 24.139 -0.786 -1.019 1.00 0.00 H new ATOM 1648 N ARG B 2 21.011 1.719 3.871 1.00 0.00 N ATOM 1649 CA ARG B 2 19.606 1.372 3.492 1.00 0.00 C ATOM 1650 C ARG B 2 19.093 2.373 2.443 1.00 0.00 C ATOM 1651 O ARG B 2 18.170 3.134 2.681 1.00 0.00 O ATOM 1652 CB ARG B 2 18.726 1.408 4.755 1.00 0.00 C ATOM 1653 CG ARG B 2 17.319 0.857 4.454 1.00 0.00 C ATOM 1654 CD ARG B 2 16.748 0.159 5.686 1.00 0.00 C ATOM 1655 NE ARG B 2 16.842 1.040 6.877 1.00 0.00 N ATOM 1656 CZ ARG B 2 16.169 0.729 7.951 1.00 0.00 C ATOM 1657 NH1 ARG B 2 15.442 -0.359 7.972 1.00 0.00 N ATOM 1658 NH2 ARG B 2 16.227 1.490 9.004 1.00 0.00 N ATOM 0 H ARG B 2 21.258 2.703 3.768 1.00 0.00 H new ATOM 0 HA ARG B 2 19.568 0.372 3.060 1.00 0.00 H new ATOM 0 HB2 ARG B 2 19.191 0.819 5.545 1.00 0.00 H new ATOM 0 HB3 ARG B 2 18.650 2.431 5.123 1.00 0.00 H new ATOM 0 HG2 ARG B 2 16.660 1.670 4.150 1.00 0.00 H new ATOM 0 HG3 ARG B 2 17.366 0.157 3.620 1.00 0.00 H new ATOM 0 HD2 ARG B 2 15.707 -0.111 5.508 1.00 0.00 H new ATOM 0 HD3 ARG B 2 17.291 -0.768 5.869 1.00 0.00 H new ATOM 0 HE ARG B 2 17.425 1.877 6.856 1.00 0.00 H new ATOM 0 HH11 ARG B 2 15.402 -0.962 7.150 1.00 0.00 H new ATOM 0 HH12 ARG B 2 14.915 -0.604 8.810 1.00 0.00 H new ATOM 0 HH21 ARG B 2 16.800 2.334 8.993 1.00 0.00 H new ATOM 0 HH22 ARG B 2 15.699 1.243 9.841 1.00 0.00 H new ATOM 1672 N PHE B 3 19.695 2.365 1.277 1.00 0.00 N ATOM 1673 CA PHE B 3 19.285 3.296 0.175 1.00 0.00 C ATOM 1674 C PHE B 3 18.932 2.477 -1.074 1.00 0.00 C ATOM 1675 O PHE B 3 19.310 1.328 -1.196 1.00 0.00 O ATOM 1676 CB PHE B 3 20.462 4.224 -0.152 1.00 0.00 C ATOM 1677 CG PHE B 3 20.547 5.328 0.878 1.00 0.00 C ATOM 1678 CD1 PHE B 3 21.001 5.046 2.182 1.00 0.00 C ATOM 1679 CD2 PHE B 3 20.179 6.641 0.532 1.00 0.00 C ATOM 1680 CE1 PHE B 3 21.087 6.078 3.137 1.00 0.00 C ATOM 1681 CE2 PHE B 3 20.264 7.673 1.486 1.00 0.00 C ATOM 1682 CZ PHE B 3 20.718 7.391 2.789 1.00 0.00 C ATOM 0 H PHE B 3 20.466 1.742 1.038 1.00 0.00 H new ATOM 0 HA PHE B 3 18.420 3.882 0.487 1.00 0.00 H new ATOM 0 HB2 PHE B 3 21.392 3.655 -0.166 1.00 0.00 H new ATOM 0 HB3 PHE B 3 20.334 4.651 -1.147 1.00 0.00 H new ATOM 0 HD1 PHE B 3 21.283 4.038 2.449 1.00 0.00 H new ATOM 0 HD2 PHE B 3 19.831 6.858 -0.467 1.00 0.00 H new ATOM 0 HE1 PHE B 3 21.436 5.862 4.136 1.00 0.00 H new ATOM 0 HE2 PHE B 3 19.981 8.680 1.219 1.00 0.00 H new ATOM 0 HZ PHE B 3 20.783 8.182 3.521 1.00 0.00 H new ATOM 1692 N ARG B 4 18.223 3.059 -2.010 1.00 0.00 N ATOM 1693 CA ARG B 4 17.869 2.309 -3.256 1.00 0.00 C ATOM 1694 C ARG B 4 17.737 3.296 -4.432 1.00 0.00 C ATOM 1695 O ARG B 4 18.711 3.572 -5.103 1.00 0.00 O ATOM 1696 CB ARG B 4 16.563 1.525 -3.038 1.00 0.00 C ATOM 1697 CG ARG B 4 16.487 0.331 -4.021 1.00 0.00 C ATOM 1698 CD ARG B 4 17.081 -0.934 -3.393 1.00 0.00 C ATOM 1699 NE ARG B 4 16.820 -2.087 -4.303 1.00 0.00 N ATOM 1700 CZ ARG B 4 17.434 -3.223 -4.121 1.00 0.00 C ATOM 1701 NH1 ARG B 4 18.271 -3.364 -3.130 1.00 0.00 N ATOM 1702 NH2 ARG B 4 17.206 -4.222 -4.930 1.00 0.00 N ATOM 0 H ARG B 4 17.875 4.017 -1.966 1.00 0.00 H new ATOM 0 HA ARG B 4 18.657 1.595 -3.494 1.00 0.00 H new ATOM 0 HB2 ARG B 4 16.514 1.164 -2.011 1.00 0.00 H new ATOM 0 HB3 ARG B 4 15.706 2.183 -3.186 1.00 0.00 H new ATOM 0 HG2 ARG B 4 15.449 0.150 -4.300 1.00 0.00 H new ATOM 0 HG3 ARG B 4 17.025 0.574 -4.937 1.00 0.00 H new ATOM 0 HD2 ARG B 4 18.153 -0.811 -3.237 1.00 0.00 H new ATOM 0 HD3 ARG B 4 16.635 -1.116 -2.415 1.00 0.00 H new ATOM 0 HE ARG B 4 16.157 -1.986 -5.072 1.00 0.00 H new ATOM 0 HH11 ARG B 4 18.446 -2.585 -2.496 1.00 0.00 H new ATOM 0 HH12 ARG B 4 18.750 -4.254 -2.990 1.00 0.00 H new ATOM 0 HH21 ARG B 4 16.549 -4.113 -5.702 1.00 0.00 H new ATOM 0 HH22 ARG B 4 17.685 -5.111 -4.790 1.00 0.00 H new ATOM 1716 N TYR B 5 16.557 3.841 -4.691 1.00 0.00 N ATOM 1717 CA TYR B 5 16.403 4.817 -5.830 1.00 0.00 C ATOM 1718 C TYR B 5 15.876 6.165 -5.311 1.00 0.00 C ATOM 1719 O TYR B 5 15.907 6.443 -4.129 1.00 0.00 O ATOM 1720 CB TYR B 5 15.461 4.252 -6.912 1.00 0.00 C ATOM 1721 CG TYR B 5 14.285 3.539 -6.307 1.00 0.00 C ATOM 1722 CD1 TYR B 5 14.393 2.193 -5.914 1.00 0.00 C ATOM 1723 CD2 TYR B 5 13.065 4.216 -6.169 1.00 0.00 C ATOM 1724 CE1 TYR B 5 13.274 1.528 -5.374 1.00 0.00 C ATOM 1725 CE2 TYR B 5 11.953 3.556 -5.636 1.00 0.00 C ATOM 1726 CZ TYR B 5 12.054 2.212 -5.236 1.00 0.00 C ATOM 1727 OH TYR B 5 10.958 1.565 -4.708 1.00 0.00 O ATOM 0 H TYR B 5 15.703 3.652 -4.166 1.00 0.00 H new ATOM 0 HA TYR B 5 17.383 4.975 -6.280 1.00 0.00 H new ATOM 0 HB2 TYR B 5 15.107 5.064 -7.547 1.00 0.00 H new ATOM 0 HB3 TYR B 5 16.013 3.565 -7.553 1.00 0.00 H new ATOM 0 HD1 TYR B 5 15.331 1.670 -6.026 1.00 0.00 H new ATOM 0 HD2 TYR B 5 12.984 5.249 -6.475 1.00 0.00 H new ATOM 0 HE1 TYR B 5 13.354 0.496 -5.067 1.00 0.00 H new ATOM 0 HE2 TYR B 5 11.014 4.080 -5.531 1.00 0.00 H new ATOM 0 HH TYR B 5 11.226 0.681 -4.381 1.00 0.00 H new ATOM 1737 N VAL B 6 15.445 7.023 -6.202 1.00 0.00 N ATOM 1738 CA VAL B 6 14.971 8.382 -5.791 1.00 0.00 C ATOM 1739 C VAL B 6 13.543 8.349 -5.237 1.00 0.00 C ATOM 1740 O VAL B 6 12.724 7.542 -5.631 1.00 0.00 O ATOM 1741 CB VAL B 6 14.991 9.301 -7.019 1.00 0.00 C ATOM 1742 CG1 VAL B 6 15.031 10.763 -6.576 1.00 0.00 C ATOM 1743 CG2 VAL B 6 16.219 8.991 -7.864 1.00 0.00 C ATOM 0 H VAL B 6 15.401 6.839 -7.204 1.00 0.00 H new ATOM 0 HA VAL B 6 15.634 8.746 -5.006 1.00 0.00 H new ATOM 0 HB VAL B 6 14.090 9.132 -7.608 1.00 0.00 H new ATOM 0 HG11 VAL B 6 15.045 11.409 -7.454 1.00 0.00 H new ATOM 0 HG12 VAL B 6 14.149 10.986 -5.976 1.00 0.00 H new ATOM 0 HG13 VAL B 6 15.928 10.939 -5.982 1.00 0.00 H new ATOM 0 HG21 VAL B 6 16.234 9.644 -8.737 1.00 0.00 H new ATOM 0 HG22 VAL B 6 17.119 9.156 -7.272 1.00 0.00 H new ATOM 0 HG23 VAL B 6 16.184 7.951 -8.189 1.00 0.00 H new ATOM 1753 N CYS B 7 13.241 9.266 -4.350 1.00 0.00 N ATOM 1754 CA CYS B 7 11.864 9.357 -3.777 1.00 0.00 C ATOM 1755 C CYS B 7 11.120 10.501 -4.465 1.00 0.00 C ATOM 1756 O CYS B 7 11.243 11.647 -4.082 1.00 0.00 O ATOM 1757 CB CYS B 7 11.940 9.635 -2.273 1.00 0.00 C ATOM 1758 SG CYS B 7 13.209 8.592 -1.513 1.00 0.00 S ATOM 0 H CYS B 7 13.898 9.962 -3.996 1.00 0.00 H new ATOM 0 HA CYS B 7 11.339 8.415 -3.938 1.00 0.00 H new ATOM 0 HB2 CYS B 7 12.171 10.686 -2.101 1.00 0.00 H new ATOM 0 HB3 CYS B 7 10.973 9.441 -1.810 1.00 0.00 H new ATOM 1763 N GLU B 8 10.351 10.211 -5.482 1.00 0.00 N ATOM 1764 CA GLU B 8 9.617 11.306 -6.181 1.00 0.00 C ATOM 1765 C GLU B 8 8.318 11.624 -5.435 1.00 0.00 C ATOM 1766 O GLU B 8 7.262 11.794 -6.026 1.00 0.00 O ATOM 1767 CB GLU B 8 9.294 10.891 -7.619 1.00 0.00 C ATOM 1768 CG GLU B 8 8.781 9.438 -7.654 1.00 0.00 C ATOM 1769 CD GLU B 8 7.852 9.244 -8.859 1.00 0.00 C ATOM 1770 OE1 GLU B 8 8.282 9.523 -9.966 1.00 0.00 O ATOM 1771 OE2 GLU B 8 6.727 8.817 -8.651 1.00 0.00 O ATOM 0 H GLU B 8 10.201 9.274 -5.855 1.00 0.00 H new ATOM 0 HA GLU B 8 10.249 12.194 -6.199 1.00 0.00 H new ATOM 0 HB2 GLU B 8 8.542 11.560 -8.037 1.00 0.00 H new ATOM 0 HB3 GLU B 8 10.185 10.985 -8.240 1.00 0.00 H new ATOM 0 HG2 GLU B 8 9.622 8.747 -7.716 1.00 0.00 H new ATOM 0 HG3 GLU B 8 8.248 9.209 -6.731 1.00 0.00 H new ATOM 1778 N GLY B 9 8.392 11.741 -4.142 1.00 0.00 N ATOM 1779 CA GLY B 9 7.176 12.089 -3.366 1.00 0.00 C ATOM 1780 C GLY B 9 6.823 13.547 -3.713 1.00 0.00 C ATOM 1781 O GLY B 9 6.876 13.903 -4.875 1.00 0.00 O ATOM 0 H GLY B 9 9.240 11.611 -3.590 1.00 0.00 H new ATOM 0 HA2 GLY B 9 6.352 11.422 -3.620 1.00 0.00 H new ATOM 0 HA3 GLY B 9 7.357 11.980 -2.297 1.00 0.00 H new ATOM 1785 N PRO B 10 6.507 14.383 -2.740 1.00 0.00 N ATOM 1786 CA PRO B 10 6.205 15.794 -3.039 1.00 0.00 C ATOM 1787 C PRO B 10 7.502 16.483 -3.495 1.00 0.00 C ATOM 1788 O PRO B 10 7.662 17.682 -3.380 1.00 0.00 O ATOM 1789 CB PRO B 10 5.683 16.385 -1.707 1.00 0.00 C ATOM 1790 CG PRO B 10 5.827 15.278 -0.621 1.00 0.00 C ATOM 1791 CD PRO B 10 6.414 14.024 -1.308 1.00 0.00 C ATOM 0 HA PRO B 10 5.469 15.926 -3.832 1.00 0.00 H new ATOM 0 HB2 PRO B 10 6.254 17.271 -1.430 1.00 0.00 H new ATOM 0 HB3 PRO B 10 4.642 16.694 -1.805 1.00 0.00 H new ATOM 0 HG2 PRO B 10 6.480 15.614 0.185 1.00 0.00 H new ATOM 0 HG3 PRO B 10 4.859 15.052 -0.174 1.00 0.00 H new ATOM 0 HD2 PRO B 10 7.393 13.771 -0.900 1.00 0.00 H new ATOM 0 HD3 PRO B 10 5.773 13.155 -1.159 1.00 0.00 H new ATOM 1799 N SER B 11 8.431 15.716 -4.005 1.00 0.00 N ATOM 1800 CA SER B 11 9.724 16.289 -4.462 1.00 0.00 C ATOM 1801 C SER B 11 9.558 16.876 -5.864 1.00 0.00 C ATOM 1802 O SER B 11 10.061 17.940 -6.166 1.00 0.00 O ATOM 1803 CB SER B 11 10.776 15.176 -4.494 1.00 0.00 C ATOM 1804 OG SER B 11 11.905 15.618 -5.236 1.00 0.00 O ATOM 0 H SER B 11 8.344 14.707 -4.124 1.00 0.00 H new ATOM 0 HA SER B 11 10.040 17.078 -3.779 1.00 0.00 H new ATOM 0 HB2 SER B 11 11.074 14.912 -3.479 1.00 0.00 H new ATOM 0 HB3 SER B 11 10.358 14.277 -4.947 1.00 0.00 H new ATOM 0 HG SER B 11 12.581 14.909 -5.257 1.00 0.00 H new ATOM 1810 N HIS B 12 8.858 16.189 -6.725 1.00 0.00 N ATOM 1811 CA HIS B 12 8.665 16.707 -8.108 1.00 0.00 C ATOM 1812 C HIS B 12 7.756 17.937 -8.074 1.00 0.00 C ATOM 1813 O HIS B 12 6.545 17.827 -8.083 1.00 0.00 O ATOM 1814 CB HIS B 12 8.024 15.621 -8.975 1.00 0.00 C ATOM 1815 CG HIS B 12 7.850 16.137 -10.378 1.00 0.00 C ATOM 1816 ND1 HIS B 12 8.172 17.438 -10.732 1.00 0.00 N ATOM 1817 CD2 HIS B 12 7.388 15.539 -11.524 1.00 0.00 C ATOM 1818 CE1 HIS B 12 7.902 17.579 -12.043 1.00 0.00 C ATOM 1819 NE2 HIS B 12 7.422 16.452 -12.574 1.00 0.00 N ATOM 0 H HIS B 12 8.412 15.293 -6.530 1.00 0.00 H new ATOM 0 HA HIS B 12 9.632 16.984 -8.528 1.00 0.00 H new ATOM 0 HB2 HIS B 12 8.649 14.728 -8.979 1.00 0.00 H new ATOM 0 HB3 HIS B 12 7.058 15.332 -8.560 1.00 0.00 H new ATOM 0 HD2 HIS B 12 7.050 14.516 -11.599 1.00 0.00 H new ATOM 0 HE1 HIS B 12 8.055 18.493 -12.598 1.00 0.00 H new ATOM 0 HE2 HIS B 12 7.141 16.294 -13.542 1.00 0.00 H new ATOM 1827 N GLY B 13 8.329 19.108 -8.035 1.00 0.00 N ATOM 1828 CA GLY B 13 7.497 20.345 -8.002 1.00 0.00 C ATOM 1829 C GLY B 13 6.718 20.403 -6.687 1.00 0.00 C ATOM 1830 O GLY B 13 5.812 19.604 -6.522 1.00 0.00 O ATOM 1831 OXT GLY B 13 7.043 21.245 -5.866 1.00 0.00 O ATOM 0 H GLY B 13 9.337 19.263 -8.025 1.00 0.00 H new ATOM 0 HA2 GLY B 13 8.132 21.225 -8.100 1.00 0.00 H new ATOM 0 HA3 GLY B 13 6.807 20.354 -8.846 1.00 0.00 H new TER 1835 GLY B 13 HETATM 1836 O HOH A 106 -6.961 -10.322 -1.490 1.00 0.24 O HETATM 1839 O HOH A 107 9.471 -3.835 4.974 1.00 0.40 O HETATM 1842 O HOH A 108 13.297 1.776 2.284 1.00 0.32 O HETATM 1845 O HOH A 109 -8.971 -8.773 -0.258 1.00 0.26 O HETATM 1848 O HOH A 110 -7.632 -13.185 0.553 1.00 0.21 O HETATM 1851 O HOH A 111 -12.047 -2.539 0.128 1.00 0.37 O