USER MOD reduce.3.24.130724 H: found=0, std=0, add=814, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 816 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 31 SER OG : rot 57:sc= 1.29 USER MOD Set 1.2: B 34 THR OG1 : rot 180:sc= 1.14 USER MOD Set 2.1: B 16 SER OG : rot 61:sc= 1.36 USER MOD Set 2.2: B 19 THR OG1 : rot -150:sc= 1.07 USER MOD Set 3.1: A 31 SER OG : rot -23:sc= 0.824 USER MOD Set 3.2: A 34 THR OG1 : rot 180:sc= 0.788 USER MOD Set 4.1: A 28 SER OG : rot 180:sc= -0.47 USER MOD Set 4.2: A 29 HIS : no HD1:sc= -1.04 K(o=-1.5,f=0.18) USER MOD Set 5.1: A 21 SER OG : rot 180:sc= 0 USER MOD Set 5.2: A 25 ASN : amide:sc= 1.05 K(o=1.1,f=0) USER MOD Set 6.1: A 16 SER OG : rot 180:sc= 1.53 USER MOD Set 6.2: A 19 THR OG1 : rot 70:sc= 1.25 USER MOD Single : A 5 THR OG1 : rot -66:sc= 0.892 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -0.166 X(o=-0.17,f=-0.0074) USER MOD Single : A 26 GLN : amide:sc= -2.57! C(o=-2.6!,f=-3.2!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl 158:sc= -1.36 (180deg=-2.18) USER MOD Single : A 46 ASN : amide:sc= -1.28! K(o=-1.3!,f=-0.048) USER MOD Single : A 47 TYR OH : rot 30:sc= 0 USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 GLN : amide:sc= 0 K(o=0,f=-2) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=-0.093) USER MOD Single : B 5 THR OG1 : rot -74:sc= -0.779! USER MOD Single : B 7 TYR OH : rot -78:sc= 0.724 USER MOD Single : B 12 TYR OH : rot 155:sc= 1.26 USER MOD Single : B 17 TYR OH : rot 180:sc= 0 USER MOD Single : B 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 21 SER OG : rot 180:sc= 0 USER MOD Single : B 25 ASN : amide:sc= 1.02 K(o=1,f=-0.0091) USER MOD Single : B 29 HIS : no HD1:sc= -0.519 X(o=-0.52,f=-0.089) USER MOD Single : B 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 42 MET CE :methyl -136:sc= 0 (180deg=-1.82!) USER MOD Single : B 46 ASN : amide:sc= 0.416 X(o=0.42,f=0) USER MOD Single : B 47 TYR OH : rot 180:sc= -2.2! USER MOD Single : B 50 ASN : amide:sc= -4.43! C(o=-4.4!,f=-11!) USER MOD Single : B 54 GLN : amide:sc= -1.41 K(o=-1.4,f=-3!) USER MOD Single : B 55 GLN : amide:sc= -0.0755 K(o=-0.076,f=-1.3!) USER MOD ----------------------------------------------------------------- ATOM 42 N PRO A 3 5.310 -10.417 11.986 1.00 0.87 N ATOM 43 CA PRO A 3 5.734 -10.087 10.631 1.00 0.67 C ATOM 44 C PRO A 3 6.667 -8.883 10.623 1.00 0.57 C ATOM 45 O PRO A 3 6.233 -7.738 10.471 1.00 0.62 O ATOM 46 CB PRO A 3 4.431 -9.773 9.904 1.00 0.89 C ATOM 47 CG PRO A 3 3.481 -9.353 10.973 1.00 1.30 C ATOM 48 CD PRO A 3 3.895 -10.082 12.225 1.00 1.15 C ATOM 0 HA PRO A 3 6.294 -10.896 10.161 1.00 0.67 H new ATOM 0 HB2 PRO A 3 4.571 -8.981 9.168 1.00 0.89 H new ATOM 0 HB3 PRO A 3 4.059 -10.646 9.367 1.00 0.89 H new ATOM 0 HG2 PRO A 3 3.518 -8.274 11.122 1.00 1.30 H new ATOM 0 HG3 PRO A 3 2.456 -9.602 10.700 1.00 1.30 H new ATOM 0 HD2 PRO A 3 3.776 -9.457 13.110 1.00 1.15 H new ATOM 0 HD3 PRO A 3 3.293 -10.977 12.384 1.00 1.15 H new ATOM 56 N VAL A 4 7.947 -9.154 10.815 1.00 0.48 N ATOM 57 CA VAL A 4 8.959 -8.116 10.832 1.00 0.41 C ATOM 58 C VAL A 4 9.116 -7.539 9.441 1.00 0.36 C ATOM 59 O VAL A 4 9.206 -8.274 8.459 1.00 0.37 O ATOM 60 CB VAL A 4 10.309 -8.655 11.338 1.00 0.42 C ATOM 61 CG1 VAL A 4 11.360 -7.561 11.373 1.00 0.39 C ATOM 62 CG2 VAL A 4 10.144 -9.272 12.711 1.00 0.54 C ATOM 0 H VAL A 4 8.311 -10.095 10.963 1.00 0.48 H new ATOM 0 HA VAL A 4 8.636 -7.334 11.519 1.00 0.41 H new ATOM 0 HB VAL A 4 10.648 -9.423 10.643 1.00 0.42 H new ATOM 0 HG11 VAL A 4 12.302 -7.973 11.735 1.00 0.39 H new ATOM 0 HG12 VAL A 4 11.501 -7.160 10.369 1.00 0.39 H new ATOM 0 HG13 VAL A 4 11.033 -6.763 12.040 1.00 0.39 H new ATOM 0 HG21 VAL A 4 11.106 -9.650 13.058 1.00 0.54 H new ATOM 0 HG22 VAL A 4 9.778 -8.518 13.407 1.00 0.54 H new ATOM 0 HG23 VAL A 4 9.430 -10.094 12.657 1.00 0.54 H new ATOM 72 N THR A 5 9.127 -6.226 9.364 1.00 0.33 N ATOM 73 CA THR A 5 9.241 -5.537 8.102 1.00 0.31 C ATOM 74 C THR A 5 10.638 -4.957 7.947 1.00 0.26 C ATOM 75 O THR A 5 11.424 -4.946 8.897 1.00 0.26 O ATOM 76 CB THR A 5 8.185 -4.412 8.009 1.00 0.36 C ATOM 77 OG1 THR A 5 8.725 -3.188 8.518 1.00 0.37 O ATOM 78 CG2 THR A 5 6.944 -4.774 8.818 1.00 0.41 C ATOM 0 H THR A 5 9.057 -5.609 10.174 1.00 0.33 H new ATOM 0 HA THR A 5 9.064 -6.250 7.297 1.00 0.31 H new ATOM 0 HB THR A 5 7.912 -4.290 6.961 1.00 0.36 H new ATOM 0 HG1 THR A 5 8.896 -3.280 9.479 1.00 0.37 H new ATOM 0 HG21 THR A 5 6.212 -3.970 8.741 1.00 0.41 H new ATOM 0 HG22 THR A 5 6.513 -5.696 8.429 1.00 0.41 H new ATOM 0 HG23 THR A 5 7.219 -4.914 9.863 1.00 0.41 H new ATOM 86 N LEU A 6 10.951 -4.483 6.752 1.00 0.24 N ATOM 87 CA LEU A 6 12.254 -3.890 6.490 1.00 0.20 C ATOM 88 C LEU A 6 12.458 -2.625 7.321 1.00 0.21 C ATOM 89 O LEU A 6 13.586 -2.168 7.509 1.00 0.20 O ATOM 90 CB LEU A 6 12.435 -3.606 4.993 1.00 0.21 C ATOM 91 CG LEU A 6 11.749 -2.351 4.424 1.00 0.25 C ATOM 92 CD1 LEU A 6 11.980 -2.260 2.922 1.00 0.29 C ATOM 93 CD2 LEU A 6 10.258 -2.348 4.713 1.00 0.29 C ATOM 0 H LEU A 6 10.322 -4.497 5.949 1.00 0.24 H new ATOM 0 HA LEU A 6 13.017 -4.609 6.788 1.00 0.20 H new ATOM 0 HB2 LEU A 6 13.503 -3.527 4.792 1.00 0.21 H new ATOM 0 HB3 LEU A 6 12.069 -4.471 4.439 1.00 0.21 H new ATOM 0 HG LEU A 6 12.191 -1.484 4.915 1.00 0.25 H new ATOM 0 HD11 LEU A 6 11.490 -1.368 2.532 1.00 0.29 H new ATOM 0 HD12 LEU A 6 13.050 -2.203 2.721 1.00 0.29 H new ATOM 0 HD13 LEU A 6 11.566 -3.144 2.436 1.00 0.29 H new ATOM 0 HD21 LEU A 6 9.808 -1.447 4.296 1.00 0.29 H new ATOM 0 HD22 LEU A 6 9.798 -3.226 4.260 1.00 0.29 H new ATOM 0 HD23 LEU A 6 10.096 -2.369 5.791 1.00 0.29 H new ATOM 105 N TYR A 7 11.360 -2.083 7.843 1.00 0.25 N ATOM 106 CA TYR A 7 11.415 -0.886 8.668 1.00 0.28 C ATOM 107 C TYR A 7 11.910 -1.249 10.057 1.00 0.28 C ATOM 108 O TYR A 7 12.657 -0.497 10.681 1.00 0.30 O ATOM 109 CB TYR A 7 10.036 -0.224 8.776 1.00 0.34 C ATOM 110 CG TYR A 7 9.470 0.278 7.466 1.00 0.36 C ATOM 111 CD1 TYR A 7 10.099 1.292 6.760 1.00 0.38 C ATOM 112 CD2 TYR A 7 8.302 -0.262 6.940 1.00 0.41 C ATOM 113 CE1 TYR A 7 9.582 1.752 5.565 1.00 0.43 C ATOM 114 CE2 TYR A 7 7.780 0.193 5.744 1.00 0.44 C ATOM 115 CZ TYR A 7 8.426 1.200 5.062 1.00 0.44 C ATOM 116 OH TYR A 7 7.912 1.659 3.871 1.00 0.49 O ATOM 0 H TYR A 7 10.421 -2.457 7.707 1.00 0.25 H new ATOM 0 HA TYR A 7 12.100 -0.180 8.199 1.00 0.28 H new ATOM 0 HB2 TYR A 7 9.337 -0.941 9.207 1.00 0.34 H new ATOM 0 HB3 TYR A 7 10.103 0.613 9.471 1.00 0.34 H new ATOM 0 HD1 TYR A 7 11.007 1.728 7.150 1.00 0.38 H new ATOM 0 HD2 TYR A 7 7.794 -1.051 7.475 1.00 0.41 H new ATOM 0 HE1 TYR A 7 10.083 2.543 5.027 1.00 0.43 H new ATOM 0 HE2 TYR A 7 6.873 -0.238 5.347 1.00 0.44 H new ATOM 0 HH TYR A 7 7.094 1.164 3.656 1.00 0.49 H new ATOM 126 N ASP A 8 11.516 -2.430 10.521 1.00 0.28 N ATOM 127 CA ASP A 8 11.910 -2.900 11.845 1.00 0.29 C ATOM 128 C ASP A 8 13.399 -3.209 11.859 1.00 0.24 C ATOM 129 O ASP A 8 14.100 -2.929 12.832 1.00 0.25 O ATOM 130 CB ASP A 8 11.108 -4.143 12.239 1.00 0.35 C ATOM 131 CG ASP A 8 9.611 -3.895 12.249 1.00 0.93 C ATOM 132 OD1 ASP A 8 9.087 -3.411 13.274 1.00 1.75 O ATOM 133 OD2 ASP A 8 8.954 -4.177 11.226 1.00 1.51 O ATOM 0 H ASP A 8 10.925 -3.079 10.001 1.00 0.28 H new ATOM 0 HA ASP A 8 11.700 -2.115 12.571 1.00 0.29 H new ATOM 0 HB2 ASP A 8 11.334 -4.951 11.544 1.00 0.35 H new ATOM 0 HB3 ASP A 8 11.424 -4.476 13.228 1.00 0.35 H new ATOM 138 N VAL A 9 13.879 -3.757 10.750 1.00 0.21 N ATOM 139 CA VAL A 9 15.284 -4.106 10.612 1.00 0.19 C ATOM 140 C VAL A 9 16.119 -2.844 10.481 1.00 0.18 C ATOM 141 O VAL A 9 17.176 -2.715 11.098 1.00 0.20 O ATOM 142 CB VAL A 9 15.514 -5.002 9.383 1.00 0.19 C ATOM 143 CG1 VAL A 9 16.934 -5.536 9.363 1.00 0.20 C ATOM 144 CG2 VAL A 9 14.512 -6.142 9.371 1.00 0.22 C ATOM 0 H VAL A 9 13.311 -3.970 9.930 1.00 0.21 H new ATOM 0 HA VAL A 9 15.585 -4.657 11.503 1.00 0.19 H new ATOM 0 HB VAL A 9 15.368 -4.401 8.485 1.00 0.19 H new ATOM 0 HG11 VAL A 9 17.073 -6.167 8.485 1.00 0.20 H new ATOM 0 HG12 VAL A 9 17.636 -4.703 9.326 1.00 0.20 H new ATOM 0 HG13 VAL A 9 17.115 -6.123 10.264 1.00 0.20 H new ATOM 0 HG21 VAL A 9 14.685 -6.769 8.496 1.00 0.22 H new ATOM 0 HG22 VAL A 9 14.630 -6.739 10.275 1.00 0.22 H new ATOM 0 HG23 VAL A 9 13.501 -5.737 9.333 1.00 0.22 H new ATOM 154 N ALA A 10 15.623 -1.918 9.671 1.00 0.19 N ATOM 155 CA ALA A 10 16.292 -0.643 9.454 1.00 0.22 C ATOM 156 C ALA A 10 16.387 0.139 10.755 1.00 0.26 C ATOM 157 O ALA A 10 17.360 0.849 11.000 1.00 0.30 O ATOM 158 CB ALA A 10 15.555 0.166 8.399 1.00 0.26 C ATOM 0 H ALA A 10 14.753 -2.028 9.150 1.00 0.19 H new ATOM 0 HA ALA A 10 17.303 -0.839 9.098 1.00 0.22 H new ATOM 0 HB1 ALA A 10 16.066 1.117 8.247 1.00 0.26 H new ATOM 0 HB2 ALA A 10 15.536 -0.390 7.462 1.00 0.26 H new ATOM 0 HB3 ALA A 10 14.534 0.352 8.731 1.00 0.26 H new ATOM 164 N GLU A 11 15.374 -0.016 11.591 1.00 0.29 N ATOM 165 CA GLU A 11 15.325 0.664 12.876 1.00 0.35 C ATOM 166 C GLU A 11 16.333 0.060 13.850 1.00 0.37 C ATOM 167 O GLU A 11 16.936 0.768 14.657 1.00 0.46 O ATOM 168 CB GLU A 11 13.913 0.564 13.458 1.00 0.37 C ATOM 169 CG GLU A 11 13.530 1.715 14.371 1.00 0.94 C ATOM 170 CD GLU A 11 12.701 2.760 13.657 1.00 1.51 C ATOM 171 OE1 GLU A 11 11.457 2.633 13.646 1.00 2.14 O ATOM 172 OE2 GLU A 11 13.289 3.711 13.101 1.00 2.21 O ATOM 0 H GLU A 11 14.568 -0.612 11.401 1.00 0.29 H new ATOM 0 HA GLU A 11 15.583 1.712 12.724 1.00 0.35 H new ATOM 0 HB2 GLU A 11 13.197 0.513 12.637 1.00 0.37 H new ATOM 0 HB3 GLU A 11 13.827 -0.369 14.014 1.00 0.37 H new ATOM 0 HG2 GLU A 11 12.970 1.330 15.223 1.00 0.94 H new ATOM 0 HG3 GLU A 11 14.434 2.179 14.767 1.00 0.94 H new ATOM 179 N TYR A 12 16.532 -1.249 13.754 1.00 0.32 N ATOM 180 CA TYR A 12 17.451 -1.948 14.641 1.00 0.38 C ATOM 181 C TYR A 12 18.900 -1.729 14.223 1.00 0.38 C ATOM 182 O TYR A 12 19.776 -1.545 15.068 1.00 0.45 O ATOM 183 CB TYR A 12 17.130 -3.444 14.647 1.00 0.39 C ATOM 184 CG TYR A 12 17.729 -4.197 15.816 1.00 0.47 C ATOM 185 CD1 TYR A 12 19.030 -4.687 15.768 1.00 1.38 C ATOM 186 CD2 TYR A 12 16.990 -4.416 16.969 1.00 1.10 C ATOM 187 CE1 TYR A 12 19.573 -5.373 16.837 1.00 1.49 C ATOM 188 CE2 TYR A 12 17.526 -5.098 18.040 1.00 1.07 C ATOM 189 CZ TYR A 12 18.817 -5.575 17.970 1.00 0.69 C ATOM 190 OH TYR A 12 19.357 -6.249 19.042 1.00 0.82 O ATOM 0 H TYR A 12 16.069 -1.847 13.070 1.00 0.32 H new ATOM 0 HA TYR A 12 17.326 -1.544 15.645 1.00 0.38 H new ATOM 0 HB2 TYR A 12 16.048 -3.573 14.661 1.00 0.39 H new ATOM 0 HB3 TYR A 12 17.492 -3.887 13.719 1.00 0.39 H new ATOM 0 HD1 TYR A 12 19.625 -4.529 14.881 1.00 1.38 H new ATOM 0 HD2 TYR A 12 15.977 -4.046 17.029 1.00 1.10 H new ATOM 0 HE1 TYR A 12 20.584 -5.749 16.784 1.00 1.49 H new ATOM 0 HE2 TYR A 12 16.937 -5.258 18.931 1.00 1.07 H new ATOM 0 HH TYR A 12 18.693 -6.305 19.761 1.00 0.82 H new ATOM 200 N ALA A 13 19.144 -1.726 12.921 1.00 0.33 N ATOM 201 CA ALA A 13 20.491 -1.552 12.400 1.00 0.36 C ATOM 202 C ALA A 13 20.859 -0.081 12.294 1.00 0.39 C ATOM 203 O ALA A 13 22.027 0.267 12.113 1.00 0.46 O ATOM 204 CB ALA A 13 20.613 -2.226 11.044 1.00 0.33 C ATOM 0 H ALA A 13 18.426 -1.842 12.206 1.00 0.33 H new ATOM 0 HA ALA A 13 21.187 -2.019 13.097 1.00 0.36 H new ATOM 0 HB1 ALA A 13 21.624 -2.091 10.660 1.00 0.33 H new ATOM 0 HB2 ALA A 13 20.403 -3.291 11.147 1.00 0.33 H new ATOM 0 HB3 ALA A 13 19.900 -1.780 10.351 1.00 0.33 H new ATOM 210 N GLY A 14 19.857 0.780 12.402 1.00 0.38 N ATOM 211 CA GLY A 14 20.094 2.205 12.311 1.00 0.43 C ATOM 212 C GLY A 14 20.378 2.625 10.888 1.00 0.43 C ATOM 213 O GLY A 14 21.189 3.517 10.635 1.00 0.52 O ATOM 0 H GLY A 14 18.883 0.516 12.551 1.00 0.38 H new ATOM 0 HA2 GLY A 14 19.224 2.745 12.685 1.00 0.43 H new ATOM 0 HA3 GLY A 14 20.936 2.477 12.948 1.00 0.43 H new ATOM 217 N VAL A 15 19.691 1.977 9.964 1.00 0.35 N ATOM 218 CA VAL A 15 19.857 2.239 8.550 1.00 0.35 C ATOM 219 C VAL A 15 18.525 2.612 7.929 1.00 0.34 C ATOM 220 O VAL A 15 17.560 2.898 8.636 1.00 0.36 O ATOM 221 CB VAL A 15 20.424 1.001 7.812 1.00 0.33 C ATOM 222 CG1 VAL A 15 21.851 0.717 8.256 1.00 0.36 C ATOM 223 CG2 VAL A 15 19.543 -0.222 8.045 1.00 0.28 C ATOM 0 H VAL A 15 19.003 1.255 10.175 1.00 0.35 H new ATOM 0 HA VAL A 15 20.562 3.064 8.448 1.00 0.35 H new ATOM 0 HB VAL A 15 20.431 1.220 6.744 1.00 0.33 H new ATOM 0 HG11 VAL A 15 22.230 -0.156 7.725 1.00 0.36 H new ATOM 0 HG12 VAL A 15 22.480 1.579 8.032 1.00 0.36 H new ATOM 0 HG13 VAL A 15 21.867 0.525 9.329 1.00 0.36 H new ATOM 0 HG21 VAL A 15 19.962 -1.078 7.517 1.00 0.28 H new ATOM 0 HG22 VAL A 15 19.498 -0.440 9.112 1.00 0.28 H new ATOM 0 HG23 VAL A 15 18.538 -0.023 7.673 1.00 0.28 H new ATOM 233 N SER A 16 18.475 2.608 6.614 1.00 0.35 N ATOM 234 CA SER A 16 17.250 2.923 5.912 1.00 0.35 C ATOM 235 C SER A 16 16.575 1.642 5.461 1.00 0.32 C ATOM 236 O SER A 16 17.238 0.613 5.301 1.00 0.32 O ATOM 237 CB SER A 16 17.530 3.814 4.704 1.00 0.40 C ATOM 238 OG SER A 16 18.041 3.065 3.611 1.00 1.26 O ATOM 0 H SER A 16 19.268 2.390 6.010 1.00 0.35 H new ATOM 0 HA SER A 16 16.591 3.463 6.592 1.00 0.35 H new ATOM 0 HB2 SER A 16 16.612 4.319 4.403 1.00 0.40 H new ATOM 0 HB3 SER A 16 18.244 4.589 4.981 1.00 0.40 H new ATOM 0 HG SER A 16 18.208 3.664 2.854 1.00 1.26 H new ATOM 244 N TYR A 17 15.263 1.688 5.257 1.00 0.32 N ATOM 245 CA TYR A 17 14.540 0.508 4.807 1.00 0.30 C ATOM 246 C TYR A 17 15.014 0.112 3.416 1.00 0.31 C ATOM 247 O TYR A 17 14.975 -1.059 3.039 1.00 0.30 O ATOM 248 CB TYR A 17 13.025 0.734 4.832 1.00 0.33 C ATOM 249 CG TYR A 17 12.509 1.802 3.889 1.00 0.37 C ATOM 250 CD1 TYR A 17 12.496 3.136 4.265 1.00 1.14 C ATOM 251 CD2 TYR A 17 12.004 1.467 2.639 1.00 1.27 C ATOM 252 CE1 TYR A 17 11.997 4.110 3.423 1.00 1.16 C ATOM 253 CE2 TYR A 17 11.510 2.434 1.787 1.00 1.32 C ATOM 254 CZ TYR A 17 11.508 3.754 2.184 1.00 0.54 C ATOM 255 OH TYR A 17 11.003 4.718 1.343 1.00 0.65 O ATOM 0 H TYR A 17 14.686 2.518 5.394 1.00 0.32 H new ATOM 0 HA TYR A 17 14.752 -0.310 5.496 1.00 0.30 H new ATOM 0 HB2 TYR A 17 12.531 -0.207 4.592 1.00 0.33 H new ATOM 0 HB3 TYR A 17 12.731 0.998 5.848 1.00 0.33 H new ATOM 0 HD1 TYR A 17 12.883 3.418 5.233 1.00 1.14 H new ATOM 0 HD2 TYR A 17 11.998 0.433 2.329 1.00 1.27 H new ATOM 0 HE1 TYR A 17 11.990 5.144 3.733 1.00 1.16 H new ATOM 0 HE2 TYR A 17 11.127 2.158 0.815 1.00 1.32 H new ATOM 0 HH TYR A 17 10.701 4.300 0.510 1.00 0.65 H new ATOM 265 N GLN A 18 15.483 1.103 2.667 1.00 0.35 N ATOM 266 CA GLN A 18 16.008 0.863 1.339 1.00 0.37 C ATOM 267 C GLN A 18 17.302 0.067 1.453 1.00 0.33 C ATOM 268 O GLN A 18 17.564 -0.827 0.652 1.00 0.34 O ATOM 269 CB GLN A 18 16.262 2.182 0.610 1.00 0.46 C ATOM 270 CG GLN A 18 17.008 2.014 -0.707 1.00 0.77 C ATOM 271 CD GLN A 18 16.196 1.278 -1.762 1.00 0.50 C ATOM 272 OE1 GLN A 18 15.545 1.892 -2.597 1.00 0.66 O ATOM 273 NE2 GLN A 18 16.232 -0.045 -1.727 1.00 1.09 N ATOM 0 H GLN A 18 15.508 2.079 2.962 1.00 0.35 H new ATOM 0 HA GLN A 18 15.277 0.296 0.763 1.00 0.37 H new ATOM 0 HB2 GLN A 18 15.307 2.672 0.418 1.00 0.46 H new ATOM 0 HB3 GLN A 18 16.834 2.843 1.261 1.00 0.46 H new ATOM 0 HG2 GLN A 18 17.284 2.997 -1.089 1.00 0.77 H new ATOM 0 HG3 GLN A 18 17.935 1.470 -0.526 1.00 0.77 H new ATOM 0 HE21 GLN A 18 16.786 -0.521 -1.016 1.00 1.09 H new ATOM 0 HE22 GLN A 18 15.705 -0.588 -2.411 1.00 1.09 H new ATOM 282 N THR A 19 18.096 0.390 2.468 1.00 0.33 N ATOM 283 CA THR A 19 19.352 -0.301 2.706 1.00 0.34 C ATOM 284 C THR A 19 19.075 -1.763 3.022 1.00 0.29 C ATOM 285 O THR A 19 19.718 -2.660 2.481 1.00 0.31 O ATOM 286 CB THR A 19 20.133 0.344 3.870 1.00 0.39 C ATOM 287 OG1 THR A 19 20.373 1.725 3.582 1.00 0.49 O ATOM 288 CG2 THR A 19 21.457 -0.369 4.099 1.00 0.45 C ATOM 0 H THR A 19 17.889 1.129 3.140 1.00 0.33 H new ATOM 0 HA THR A 19 19.961 -0.225 1.805 1.00 0.34 H new ATOM 0 HB THR A 19 19.534 0.256 4.776 1.00 0.39 H new ATOM 0 HG1 THR A 19 19.528 2.219 3.622 1.00 0.49 H new ATOM 0 HG21 THR A 19 21.988 0.105 4.925 1.00 0.45 H new ATOM 0 HG22 THR A 19 21.270 -1.415 4.341 1.00 0.45 H new ATOM 0 HG23 THR A 19 22.064 -0.309 3.195 1.00 0.45 H new ATOM 296 N VAL A 20 18.096 -1.983 3.889 1.00 0.25 N ATOM 297 CA VAL A 20 17.686 -3.326 4.272 1.00 0.21 C ATOM 298 C VAL A 20 17.257 -4.124 3.045 1.00 0.20 C ATOM 299 O VAL A 20 17.728 -5.238 2.822 1.00 0.24 O ATOM 300 CB VAL A 20 16.529 -3.265 5.282 1.00 0.21 C ATOM 301 CG1 VAL A 20 15.963 -4.647 5.560 1.00 0.23 C ATOM 302 CG2 VAL A 20 16.994 -2.609 6.563 1.00 0.24 C ATOM 0 H VAL A 20 17.566 -1.240 4.344 1.00 0.25 H new ATOM 0 HA VAL A 20 18.538 -3.823 4.737 1.00 0.21 H new ATOM 0 HB VAL A 20 15.729 -2.665 4.848 1.00 0.21 H new ATOM 0 HG11 VAL A 20 15.147 -4.568 6.278 1.00 0.23 H new ATOM 0 HG12 VAL A 20 15.590 -5.081 4.632 1.00 0.23 H new ATOM 0 HG13 VAL A 20 16.746 -5.285 5.969 1.00 0.23 H new ATOM 0 HG21 VAL A 20 16.168 -2.570 7.273 1.00 0.24 H new ATOM 0 HG22 VAL A 20 17.813 -3.187 6.991 1.00 0.24 H new ATOM 0 HG23 VAL A 20 17.337 -1.597 6.350 1.00 0.24 H new ATOM 312 N SER A 21 16.388 -3.528 2.243 1.00 0.22 N ATOM 313 CA SER A 21 15.891 -4.162 1.027 1.00 0.25 C ATOM 314 C SER A 21 17.034 -4.467 0.065 1.00 0.27 C ATOM 315 O SER A 21 17.028 -5.495 -0.614 1.00 0.32 O ATOM 316 CB SER A 21 14.850 -3.250 0.365 1.00 0.32 C ATOM 317 OG SER A 21 14.694 -3.540 -1.013 1.00 0.87 O ATOM 0 H SER A 21 16.008 -2.597 2.413 1.00 0.22 H new ATOM 0 HA SER A 21 15.420 -5.110 1.288 1.00 0.25 H new ATOM 0 HB2 SER A 21 13.892 -3.366 0.871 1.00 0.32 H new ATOM 0 HB3 SER A 21 15.150 -2.209 0.485 1.00 0.32 H new ATOM 0 HG SER A 21 14.022 -2.940 -1.400 1.00 0.87 H new ATOM 323 N ARG A 22 18.025 -3.587 0.029 1.00 0.30 N ATOM 324 CA ARG A 22 19.174 -3.778 -0.846 1.00 0.40 C ATOM 325 C ARG A 22 20.015 -4.955 -0.368 1.00 0.39 C ATOM 326 O ARG A 22 20.635 -5.651 -1.168 1.00 0.58 O ATOM 327 CB ARG A 22 20.026 -2.509 -0.908 1.00 0.51 C ATOM 328 CG ARG A 22 19.392 -1.388 -1.712 1.00 0.82 C ATOM 329 CD ARG A 22 20.378 -0.262 -1.964 1.00 0.75 C ATOM 330 NE ARG A 22 19.715 0.989 -2.337 1.00 0.73 N ATOM 331 CZ ARG A 22 19.225 1.246 -3.552 1.00 1.18 C ATOM 332 NH1 ARG A 22 19.271 0.323 -4.503 1.00 2.03 N ATOM 333 NH2 ARG A 22 18.684 2.431 -3.810 1.00 1.28 N ATOM 0 H ARG A 22 18.057 -2.737 0.593 1.00 0.30 H new ATOM 0 HA ARG A 22 18.806 -3.994 -1.849 1.00 0.40 H new ATOM 0 HB2 ARG A 22 20.212 -2.157 0.107 1.00 0.51 H new ATOM 0 HB3 ARG A 22 20.995 -2.753 -1.343 1.00 0.51 H new ATOM 0 HG2 ARG A 22 19.033 -1.779 -2.664 1.00 0.82 H new ATOM 0 HG3 ARG A 22 18.524 -1.001 -1.178 1.00 0.82 H new ATOM 0 HD2 ARG A 22 20.976 -0.099 -1.067 1.00 0.75 H new ATOM 0 HD3 ARG A 22 21.066 -0.556 -2.757 1.00 0.75 H new ATOM 0 HE ARG A 22 19.621 1.711 -1.622 1.00 0.73 H new ATOM 0 HH11 ARG A 22 19.683 -0.590 -4.308 1.00 2.03 H new ATOM 0 HH12 ARG A 22 18.895 0.526 -5.429 1.00 2.03 H new ATOM 0 HH21 ARG A 22 18.643 3.143 -3.081 1.00 1.28 H new ATOM 0 HH22 ARG A 22 18.309 2.629 -4.738 1.00 1.28 H new ATOM 347 N VAL A 23 20.012 -5.179 0.942 1.00 0.29 N ATOM 348 CA VAL A 23 20.764 -6.276 1.536 1.00 0.33 C ATOM 349 C VAL A 23 20.033 -7.587 1.307 1.00 0.34 C ATOM 350 O VAL A 23 20.644 -8.608 1.006 1.00 0.43 O ATOM 351 CB VAL A 23 20.969 -6.069 3.051 1.00 0.34 C ATOM 352 CG1 VAL A 23 21.645 -7.276 3.680 1.00 0.44 C ATOM 353 CG2 VAL A 23 21.778 -4.817 3.309 1.00 0.33 C ATOM 0 H VAL A 23 19.495 -4.612 1.614 1.00 0.29 H new ATOM 0 HA VAL A 23 21.743 -6.303 1.057 1.00 0.33 H new ATOM 0 HB VAL A 23 19.988 -5.952 3.512 1.00 0.34 H new ATOM 0 HG11 VAL A 23 21.777 -7.103 4.748 1.00 0.44 H new ATOM 0 HG12 VAL A 23 21.025 -8.160 3.529 1.00 0.44 H new ATOM 0 HG13 VAL A 23 22.618 -7.432 3.214 1.00 0.44 H new ATOM 0 HG21 VAL A 23 21.913 -4.686 4.383 1.00 0.33 H new ATOM 0 HG22 VAL A 23 22.752 -4.908 2.829 1.00 0.33 H new ATOM 0 HG23 VAL A 23 21.252 -3.954 2.902 1.00 0.33 H new ATOM 363 N VAL A 24 18.719 -7.550 1.466 1.00 0.29 N ATOM 364 CA VAL A 24 17.893 -8.733 1.263 1.00 0.32 C ATOM 365 C VAL A 24 17.945 -9.171 -0.198 1.00 0.34 C ATOM 366 O VAL A 24 18.039 -10.362 -0.503 1.00 0.41 O ATOM 367 CB VAL A 24 16.426 -8.472 1.671 1.00 0.32 C ATOM 368 CG1 VAL A 24 15.590 -9.727 1.500 1.00 0.39 C ATOM 369 CG2 VAL A 24 16.348 -7.974 3.102 1.00 0.35 C ATOM 0 H VAL A 24 18.200 -6.714 1.735 1.00 0.29 H new ATOM 0 HA VAL A 24 18.291 -9.526 1.896 1.00 0.32 H new ATOM 0 HB VAL A 24 16.024 -7.699 1.016 1.00 0.32 H new ATOM 0 HG11 VAL A 24 14.560 -9.521 1.793 1.00 0.39 H new ATOM 0 HG12 VAL A 24 15.615 -10.041 0.457 1.00 0.39 H new ATOM 0 HG13 VAL A 24 15.994 -10.521 2.128 1.00 0.39 H new ATOM 0 HG21 VAL A 24 15.306 -7.796 3.369 1.00 0.35 H new ATOM 0 HG22 VAL A 24 16.772 -8.723 3.771 1.00 0.35 H new ATOM 0 HG23 VAL A 24 16.910 -7.045 3.195 1.00 0.35 H new ATOM 379 N ASN A 25 17.890 -8.193 -1.089 1.00 0.33 N ATOM 380 CA ASN A 25 17.930 -8.449 -2.527 1.00 0.42 C ATOM 381 C ASN A 25 19.331 -8.814 -2.999 1.00 0.76 C ATOM 382 O ASN A 25 19.489 -9.710 -3.829 1.00 0.94 O ATOM 383 CB ASN A 25 17.450 -7.227 -3.302 1.00 0.83 C ATOM 384 CG ASN A 25 15.951 -7.207 -3.472 1.00 1.11 C ATOM 385 OD1 ASN A 25 15.421 -7.713 -4.461 1.00 1.72 O ATOM 386 ND2 ASN A 25 15.261 -6.621 -2.509 1.00 1.15 N ATOM 0 H ASN A 25 17.817 -7.206 -0.842 1.00 0.33 H new ATOM 0 HA ASN A 25 17.268 -9.294 -2.717 1.00 0.42 H new ATOM 0 HB2 ASN A 25 17.766 -6.323 -2.782 1.00 0.83 H new ATOM 0 HB3 ASN A 25 17.925 -7.213 -4.283 1.00 0.83 H new ATOM 0 HD21 ASN A 25 14.244 -6.574 -2.566 1.00 1.15 H new ATOM 0 HD22 ASN A 25 15.746 -6.216 -1.708 1.00 1.15 H new ATOM 393 N GLN A 26 20.337 -8.116 -2.467 1.00 1.08 N ATOM 394 CA GLN A 26 21.730 -8.334 -2.858 1.00 1.58 C ATOM 395 C GLN A 26 21.903 -8.008 -4.338 1.00 1.10 C ATOM 396 O GLN A 26 22.181 -8.890 -5.152 1.00 1.64 O ATOM 397 CB GLN A 26 22.177 -9.777 -2.582 1.00 2.64 C ATOM 398 CG GLN A 26 22.201 -10.148 -1.107 1.00 3.42 C ATOM 399 CD GLN A 26 23.414 -9.609 -0.373 1.00 4.28 C ATOM 400 OE1 GLN A 26 24.000 -8.597 -0.758 1.00 4.88 O ATOM 401 NE2 GLN A 26 23.797 -10.286 0.699 1.00 4.73 N ATOM 0 H GLN A 26 20.211 -7.391 -1.760 1.00 1.08 H new ATOM 0 HA GLN A 26 22.357 -7.674 -2.259 1.00 1.58 H new ATOM 0 HB2 GLN A 26 21.509 -10.460 -3.107 1.00 2.64 H new ATOM 0 HB3 GLN A 26 23.173 -9.923 -2.999 1.00 2.64 H new ATOM 0 HG2 GLN A 26 21.298 -9.769 -0.629 1.00 3.42 H new ATOM 0 HG3 GLN A 26 22.180 -11.234 -1.012 1.00 3.42 H new ATOM 0 HE21 GLN A 26 23.285 -11.120 0.985 1.00 4.73 H new ATOM 0 HE22 GLN A 26 24.604 -9.973 1.238 1.00 4.73 H new ATOM 410 N ALA A 27 21.703 -6.738 -4.687 1.00 0.83 N ATOM 411 CA ALA A 27 21.814 -6.304 -6.075 1.00 1.50 C ATOM 412 C ALA A 27 22.863 -5.204 -6.258 1.00 1.34 C ATOM 413 O ALA A 27 24.013 -5.483 -6.606 1.00 2.01 O ATOM 414 CB ALA A 27 20.458 -5.833 -6.576 1.00 2.27 C ATOM 0 H ALA A 27 21.464 -5.996 -4.029 1.00 0.83 H new ATOM 0 HA ALA A 27 22.145 -7.160 -6.664 1.00 1.50 H new ATOM 0 HB1 ALA A 27 20.546 -5.510 -7.613 1.00 2.27 H new ATOM 0 HB2 ALA A 27 19.741 -6.652 -6.510 1.00 2.27 H new ATOM 0 HB3 ALA A 27 20.113 -4.999 -5.964 1.00 2.27 H new ATOM 420 N SER A 28 22.475 -3.952 -6.023 1.00 1.04 N ATOM 421 CA SER A 28 23.396 -2.833 -6.181 1.00 0.84 C ATOM 422 C SER A 28 23.166 -1.780 -5.099 1.00 0.71 C ATOM 423 O SER A 28 22.156 -1.824 -4.390 1.00 0.73 O ATOM 424 CB SER A 28 23.244 -2.213 -7.576 1.00 0.91 C ATOM 425 OG SER A 28 24.299 -1.308 -7.856 1.00 1.52 O ATOM 0 H SER A 28 21.535 -3.690 -5.725 1.00 1.04 H new ATOM 0 HA SER A 28 24.413 -3.209 -6.074 1.00 0.84 H new ATOM 0 HB2 SER A 28 23.230 -3.002 -8.327 1.00 0.91 H new ATOM 0 HB3 SER A 28 22.289 -1.693 -7.643 1.00 0.91 H new ATOM 0 HG SER A 28 24.177 -0.930 -8.752 1.00 1.52 H new ATOM 431 N HIS A 29 24.105 -0.834 -4.990 1.00 0.61 N ATOM 432 CA HIS A 29 24.051 0.242 -4.005 1.00 0.53 C ATOM 433 C HIS A 29 24.160 -0.284 -2.570 1.00 0.59 C ATOM 434 O HIS A 29 23.679 0.360 -1.635 1.00 0.76 O ATOM 435 CB HIS A 29 22.775 1.066 -4.112 1.00 0.50 C ATOM 436 CG HIS A 29 22.372 1.543 -5.474 1.00 0.50 C ATOM 437 ND1 HIS A 29 21.392 2.492 -5.636 1.00 0.46 N ATOM 438 CD2 HIS A 29 22.815 1.247 -6.720 1.00 0.64 C ATOM 439 CE1 HIS A 29 21.248 2.763 -6.910 1.00 0.53 C ATOM 440 NE2 HIS A 29 22.097 2.024 -7.594 1.00 0.63 N ATOM 0 H HIS A 29 24.929 -0.797 -5.590 1.00 0.61 H new ATOM 0 HA HIS A 29 24.909 0.876 -4.230 1.00 0.53 H new ATOM 0 HB2 HIS A 29 21.956 0.471 -3.708 1.00 0.50 H new ATOM 0 HB3 HIS A 29 22.883 1.939 -3.468 1.00 0.50 H new ATOM 0 HD2 HIS A 29 23.586 0.535 -6.976 1.00 0.64 H new ATOM 0 HE1 HIS A 29 20.550 3.473 -7.329 1.00 0.53 H new ATOM 0 HE2 HIS A 29 22.203 2.029 -8.608 1.00 0.63 H new ATOM 449 N VAL A 30 24.788 -1.435 -2.385 1.00 0.66 N ATOM 450 CA VAL A 30 24.926 -2.002 -1.054 1.00 0.76 C ATOM 451 C VAL A 30 26.383 -2.181 -0.678 1.00 0.72 C ATOM 452 O VAL A 30 27.168 -2.747 -1.439 1.00 0.78 O ATOM 453 CB VAL A 30 24.233 -3.373 -0.915 1.00 0.94 C ATOM 454 CG1 VAL A 30 23.705 -3.543 0.497 1.00 1.01 C ATOM 455 CG2 VAL A 30 23.115 -3.538 -1.926 1.00 1.16 C ATOM 0 H VAL A 30 25.206 -1.990 -3.132 1.00 0.66 H new ATOM 0 HA VAL A 30 24.443 -1.289 -0.386 1.00 0.76 H new ATOM 0 HB VAL A 30 24.972 -4.149 -1.117 1.00 0.94 H new ATOM 0 HG11 VAL A 30 23.217 -4.513 0.589 1.00 1.01 H new ATOM 0 HG12 VAL A 30 24.532 -3.485 1.204 1.00 1.01 H new ATOM 0 HG13 VAL A 30 22.986 -2.753 0.714 1.00 1.01 H new ATOM 0 HG21 VAL A 30 22.650 -4.516 -1.798 1.00 1.16 H new ATOM 0 HG22 VAL A 30 22.369 -2.758 -1.774 1.00 1.16 H new ATOM 0 HG23 VAL A 30 23.522 -3.459 -2.934 1.00 1.16 H new ATOM 465 N SER A 31 26.740 -1.682 0.490 1.00 0.71 N ATOM 466 CA SER A 31 28.093 -1.826 0.993 1.00 0.76 C ATOM 467 C SER A 31 28.134 -2.990 1.976 1.00 0.83 C ATOM 468 O SER A 31 27.118 -3.308 2.598 1.00 1.30 O ATOM 469 CB SER A 31 28.561 -0.537 1.673 1.00 0.75 C ATOM 470 OG SER A 31 27.840 -0.280 2.868 1.00 0.74 O ATOM 0 H SER A 31 26.110 -1.172 1.110 1.00 0.71 H new ATOM 0 HA SER A 31 28.767 -2.025 0.160 1.00 0.76 H new ATOM 0 HB2 SER A 31 29.625 -0.611 1.899 1.00 0.75 H new ATOM 0 HB3 SER A 31 28.438 0.301 0.987 1.00 0.75 H new ATOM 0 HG SER A 31 26.976 -0.742 2.835 1.00 0.74 H new ATOM 476 N ALA A 32 29.291 -3.623 2.114 1.00 0.86 N ATOM 477 CA ALA A 32 29.434 -4.752 3.026 1.00 0.86 C ATOM 478 C ALA A 32 29.182 -4.317 4.465 1.00 0.75 C ATOM 479 O ALA A 32 28.687 -5.091 5.282 1.00 0.69 O ATOM 480 CB ALA A 32 30.817 -5.372 2.893 1.00 1.06 C ATOM 0 H ALA A 32 30.142 -3.376 1.609 1.00 0.86 H new ATOM 0 HA ALA A 32 28.690 -5.503 2.760 1.00 0.86 H new ATOM 0 HB1 ALA A 32 30.906 -6.213 3.581 1.00 1.06 H new ATOM 0 HB2 ALA A 32 30.962 -5.722 1.871 1.00 1.06 H new ATOM 0 HB3 ALA A 32 31.575 -4.626 3.132 1.00 1.06 H new ATOM 486 N LYS A 33 29.514 -3.062 4.755 1.00 0.80 N ATOM 487 CA LYS A 33 29.331 -2.490 6.085 1.00 0.78 C ATOM 488 C LYS A 33 27.876 -2.577 6.528 1.00 0.67 C ATOM 489 O LYS A 33 27.571 -3.078 7.613 1.00 0.69 O ATOM 490 CB LYS A 33 29.776 -1.027 6.093 1.00 0.94 C ATOM 491 CG LYS A 33 31.147 -0.795 5.482 1.00 1.53 C ATOM 492 CD LYS A 33 31.487 0.687 5.408 1.00 1.99 C ATOM 493 CE LYS A 33 30.808 1.368 4.229 1.00 2.99 C ATOM 494 NZ LYS A 33 31.087 2.832 4.197 1.00 3.39 N ATOM 0 H LYS A 33 29.916 -2.415 4.077 1.00 0.80 H new ATOM 0 HA LYS A 33 29.941 -3.065 6.782 1.00 0.78 H new ATOM 0 HB2 LYS A 33 29.042 -0.432 5.550 1.00 0.94 H new ATOM 0 HB3 LYS A 33 29.782 -0.665 7.121 1.00 0.94 H new ATOM 0 HG2 LYS A 33 31.902 -1.312 6.074 1.00 1.53 H new ATOM 0 HG3 LYS A 33 31.177 -1.226 4.481 1.00 1.53 H new ATOM 0 HD2 LYS A 33 31.183 1.176 6.334 1.00 1.99 H new ATOM 0 HD3 LYS A 33 32.567 0.808 5.324 1.00 1.99 H new ATOM 0 HE2 LYS A 33 31.151 0.913 3.300 1.00 2.99 H new ATOM 0 HE3 LYS A 33 29.732 1.205 4.286 1.00 2.99 H new ATOM 0 HZ1 LYS A 33 30.607 3.259 3.379 1.00 3.39 H new ATOM 0 HZ2 LYS A 33 30.737 3.271 5.072 1.00 3.39 H new ATOM 0 HZ3 LYS A 33 32.112 2.988 4.117 1.00 3.39 H new ATOM 508 N THR A 34 26.982 -2.087 5.682 1.00 0.61 N ATOM 509 CA THR A 34 25.560 -2.096 5.986 1.00 0.54 C ATOM 510 C THR A 34 24.938 -3.476 5.789 1.00 0.51 C ATOM 511 O THR A 34 24.013 -3.849 6.509 1.00 0.49 O ATOM 512 CB THR A 34 24.804 -1.075 5.124 1.00 0.53 C ATOM 513 OG1 THR A 34 25.375 -1.013 3.813 1.00 0.65 O ATOM 514 CG2 THR A 34 24.847 0.300 5.767 1.00 0.56 C ATOM 0 H THR A 34 27.217 -1.678 4.778 1.00 0.61 H new ATOM 0 HA THR A 34 25.469 -1.824 7.038 1.00 0.54 H new ATOM 0 HB THR A 34 23.765 -1.396 5.046 1.00 0.53 H new ATOM 0 HG1 THR A 34 24.883 -0.360 3.273 1.00 0.65 H new ATOM 0 HG21 THR A 34 24.306 1.011 5.142 1.00 0.56 H new ATOM 0 HG22 THR A 34 24.382 0.256 6.752 1.00 0.56 H new ATOM 0 HG23 THR A 34 25.883 0.622 5.869 1.00 0.56 H new ATOM 522 N ARG A 35 25.460 -4.236 4.830 1.00 0.51 N ATOM 523 CA ARG A 35 24.936 -5.570 4.538 1.00 0.51 C ATOM 524 C ARG A 35 25.004 -6.466 5.770 1.00 0.52 C ATOM 525 O ARG A 35 24.015 -7.086 6.161 1.00 0.52 O ATOM 526 CB ARG A 35 25.719 -6.209 3.390 1.00 0.53 C ATOM 527 CG ARG A 35 25.263 -7.620 3.063 1.00 0.70 C ATOM 528 CD ARG A 35 26.370 -8.423 2.406 1.00 0.79 C ATOM 529 NE ARG A 35 26.176 -9.865 2.577 1.00 1.64 N ATOM 530 CZ ARG A 35 26.790 -10.800 1.847 1.00 2.19 C ATOM 531 NH1 ARG A 35 27.659 -10.450 0.909 1.00 2.09 N ATOM 532 NH2 ARG A 35 26.546 -12.086 2.070 1.00 3.31 N ATOM 0 H ARG A 35 26.244 -3.953 4.242 1.00 0.51 H new ATOM 0 HA ARG A 35 23.892 -5.463 4.245 1.00 0.51 H new ATOM 0 HB2 ARG A 35 25.618 -5.587 2.501 1.00 0.53 H new ATOM 0 HB3 ARG A 35 26.778 -6.228 3.648 1.00 0.53 H new ATOM 0 HG2 ARG A 35 24.942 -8.121 3.976 1.00 0.70 H new ATOM 0 HG3 ARG A 35 24.398 -7.580 2.400 1.00 0.70 H new ATOM 0 HD2 ARG A 35 26.408 -8.186 1.343 1.00 0.79 H new ATOM 0 HD3 ARG A 35 27.330 -8.133 2.832 1.00 0.79 H new ATOM 0 HE ARG A 35 25.529 -10.176 3.302 1.00 1.64 H new ATOM 0 HH11 ARG A 35 27.861 -9.464 0.743 1.00 2.09 H new ATOM 0 HH12 ARG A 35 28.126 -11.167 0.353 1.00 2.09 H new ATOM 0 HH21 ARG A 35 25.889 -12.361 2.800 1.00 3.31 H new ATOM 0 HH22 ARG A 35 27.016 -12.799 1.511 1.00 3.31 H new ATOM 546 N GLU A 36 26.172 -6.498 6.393 1.00 0.56 N ATOM 547 CA GLU A 36 26.391 -7.322 7.573 1.00 0.58 C ATOM 548 C GLU A 36 25.634 -6.788 8.779 1.00 0.54 C ATOM 549 O GLU A 36 25.374 -7.522 9.729 1.00 0.61 O ATOM 550 CB GLU A 36 27.880 -7.400 7.884 1.00 0.67 C ATOM 551 CG GLU A 36 28.693 -7.949 6.730 1.00 0.70 C ATOM 552 CD GLU A 36 30.128 -8.235 7.111 1.00 0.85 C ATOM 553 OE1 GLU A 36 30.378 -9.280 7.740 1.00 1.45 O ATOM 554 OE2 GLU A 36 31.014 -7.416 6.778 1.00 1.39 O ATOM 0 H GLU A 36 26.987 -5.960 6.099 1.00 0.56 H new ATOM 0 HA GLU A 36 26.011 -8.321 7.358 1.00 0.58 H new ATOM 0 HB2 GLU A 36 28.246 -6.405 8.139 1.00 0.67 H new ATOM 0 HB3 GLU A 36 28.031 -8.030 8.761 1.00 0.67 H new ATOM 0 HG2 GLU A 36 28.228 -8.866 6.367 1.00 0.70 H new ATOM 0 HG3 GLU A 36 28.675 -7.235 5.906 1.00 0.70 H new ATOM 561 N LYS A 37 25.271 -5.518 8.742 1.00 0.49 N ATOM 562 CA LYS A 37 24.550 -4.916 9.848 1.00 0.47 C ATOM 563 C LYS A 37 23.067 -5.237 9.745 1.00 0.39 C ATOM 564 O LYS A 37 22.390 -5.459 10.749 1.00 0.38 O ATOM 565 CB LYS A 37 24.773 -3.407 9.875 1.00 0.52 C ATOM 566 CG LYS A 37 24.278 -2.740 11.148 1.00 0.86 C ATOM 567 CD LYS A 37 25.095 -1.503 11.485 1.00 0.84 C ATOM 568 CE LYS A 37 24.914 -0.407 10.452 1.00 0.73 C ATOM 569 NZ LYS A 37 25.904 0.684 10.639 1.00 0.98 N ATOM 0 H LYS A 37 25.462 -4.888 7.963 1.00 0.49 H new ATOM 0 HA LYS A 37 24.931 -5.333 10.780 1.00 0.47 H new ATOM 0 HB2 LYS A 37 25.838 -3.204 9.759 1.00 0.52 H new ATOM 0 HB3 LYS A 37 24.268 -2.958 9.020 1.00 0.52 H new ATOM 0 HG2 LYS A 37 23.230 -2.464 11.031 1.00 0.86 H new ATOM 0 HG3 LYS A 37 24.331 -3.448 11.975 1.00 0.86 H new ATOM 0 HD2 LYS A 37 24.801 -1.130 12.466 1.00 0.84 H new ATOM 0 HD3 LYS A 37 26.150 -1.771 11.549 1.00 0.84 H new ATOM 0 HE2 LYS A 37 25.018 -0.827 9.452 1.00 0.73 H new ATOM 0 HE3 LYS A 37 23.905 -0.001 10.524 1.00 0.73 H new ATOM 0 HZ1 LYS A 37 25.753 1.417 9.917 1.00 0.98 H new ATOM 0 HZ2 LYS A 37 25.787 1.100 11.585 1.00 0.98 H new ATOM 0 HZ3 LYS A 37 26.866 0.300 10.546 1.00 0.98 H new ATOM 583 N VAL A 38 22.580 -5.292 8.517 1.00 0.36 N ATOM 584 CA VAL A 38 21.179 -5.589 8.260 1.00 0.31 C ATOM 585 C VAL A 38 20.899 -7.072 8.458 1.00 0.32 C ATOM 586 O VAL A 38 19.892 -7.444 9.053 1.00 0.31 O ATOM 587 CB VAL A 38 20.764 -5.171 6.839 1.00 0.29 C ATOM 588 CG1 VAL A 38 19.320 -5.563 6.561 1.00 0.26 C ATOM 589 CG2 VAL A 38 20.960 -3.676 6.654 1.00 0.30 C ATOM 0 H VAL A 38 23.137 -5.134 7.677 1.00 0.36 H new ATOM 0 HA VAL A 38 20.590 -5.013 8.974 1.00 0.31 H new ATOM 0 HB VAL A 38 21.398 -5.696 6.125 1.00 0.29 H new ATOM 0 HG11 VAL A 38 19.048 -5.258 5.551 1.00 0.26 H new ATOM 0 HG12 VAL A 38 19.212 -6.644 6.655 1.00 0.26 H new ATOM 0 HG13 VAL A 38 18.664 -5.069 7.278 1.00 0.26 H new ATOM 0 HG21 VAL A 38 20.663 -3.392 5.644 1.00 0.30 H new ATOM 0 HG22 VAL A 38 20.348 -3.137 7.377 1.00 0.30 H new ATOM 0 HG23 VAL A 38 22.010 -3.425 6.807 1.00 0.30 H new ATOM 599 N GLU A 39 21.806 -7.913 7.974 1.00 0.36 N ATOM 600 CA GLU A 39 21.652 -9.356 8.112 1.00 0.39 C ATOM 601 C GLU A 39 21.706 -9.757 9.582 1.00 0.41 C ATOM 602 O GLU A 39 21.123 -10.763 9.992 1.00 0.43 O ATOM 603 CB GLU A 39 22.733 -10.091 7.321 1.00 0.44 C ATOM 604 CG GLU A 39 22.519 -10.029 5.819 1.00 0.55 C ATOM 605 CD GLU A 39 23.469 -10.926 5.054 1.00 0.82 C ATOM 606 OE1 GLU A 39 23.176 -12.131 4.919 1.00 1.59 O ATOM 607 OE2 GLU A 39 24.518 -10.434 4.587 1.00 1.44 O ATOM 0 H GLU A 39 22.652 -7.622 7.485 1.00 0.36 H new ATOM 0 HA GLU A 39 20.679 -9.638 7.709 1.00 0.39 H new ATOM 0 HB2 GLU A 39 23.706 -9.662 7.561 1.00 0.44 H new ATOM 0 HB3 GLU A 39 22.759 -11.134 7.635 1.00 0.44 H new ATOM 0 HG2 GLU A 39 21.492 -10.316 5.591 1.00 0.55 H new ATOM 0 HG3 GLU A 39 22.646 -9.001 5.481 1.00 0.55 H new ATOM 614 N ALA A 40 22.408 -8.951 10.370 1.00 0.43 N ATOM 615 CA ALA A 40 22.531 -9.198 11.795 1.00 0.46 C ATOM 616 C ALA A 40 21.289 -8.706 12.529 1.00 0.41 C ATOM 617 O ALA A 40 20.805 -9.360 13.451 1.00 0.43 O ATOM 618 CB ALA A 40 23.778 -8.525 12.345 1.00 0.52 C ATOM 0 H ALA A 40 22.900 -8.120 10.042 1.00 0.43 H new ATOM 0 HA ALA A 40 22.622 -10.273 11.954 1.00 0.46 H new ATOM 0 HB1 ALA A 40 23.855 -8.720 13.415 1.00 0.52 H new ATOM 0 HB2 ALA A 40 24.658 -8.922 11.839 1.00 0.52 H new ATOM 0 HB3 ALA A 40 23.716 -7.450 12.176 1.00 0.52 H new ATOM 624 N ALA A 41 20.766 -7.560 12.098 1.00 0.37 N ATOM 625 CA ALA A 41 19.581 -6.981 12.716 1.00 0.34 C ATOM 626 C ALA A 41 18.340 -7.812 12.416 1.00 0.31 C ATOM 627 O ALA A 41 17.496 -8.030 13.287 1.00 0.34 O ATOM 628 CB ALA A 41 19.386 -5.544 12.248 1.00 0.31 C ATOM 0 H ALA A 41 21.146 -7.016 11.323 1.00 0.37 H new ATOM 0 HA ALA A 41 19.731 -6.981 13.796 1.00 0.34 H new ATOM 0 HB1 ALA A 41 18.496 -5.126 12.719 1.00 0.31 H new ATOM 0 HB2 ALA A 41 20.257 -4.950 12.525 1.00 0.31 H new ATOM 0 HB3 ALA A 41 19.265 -5.527 11.165 1.00 0.31 H new ATOM 634 N MET A 42 18.248 -8.304 11.184 1.00 0.28 N ATOM 635 CA MET A 42 17.111 -9.119 10.763 1.00 0.29 C ATOM 636 C MET A 42 17.159 -10.496 11.423 1.00 0.35 C ATOM 637 O MET A 42 16.211 -11.276 11.325 1.00 0.39 O ATOM 638 CB MET A 42 17.082 -9.265 9.236 1.00 0.27 C ATOM 639 CG MET A 42 18.122 -10.225 8.697 1.00 0.33 C ATOM 640 SD MET A 42 17.844 -10.656 6.968 1.00 0.35 S ATOM 641 CE MET A 42 18.289 -9.116 6.170 1.00 0.33 C ATOM 0 H MET A 42 18.948 -8.153 10.458 1.00 0.28 H new ATOM 0 HA MET A 42 16.199 -8.613 11.080 1.00 0.29 H new ATOM 0 HB2 MET A 42 16.093 -9.606 8.931 1.00 0.27 H new ATOM 0 HB3 MET A 42 17.235 -8.285 8.783 1.00 0.27 H new ATOM 0 HG2 MET A 42 19.111 -9.778 8.801 1.00 0.33 H new ATOM 0 HG3 MET A 42 18.118 -11.134 9.299 1.00 0.33 H new ATOM 0 HE1 MET A 42 18.550 -9.308 5.129 1.00 0.33 H new ATOM 0 HE2 MET A 42 17.445 -8.428 6.211 1.00 0.33 H new ATOM 0 HE3 MET A 42 19.143 -8.674 6.683 1.00 0.33 H new ATOM 651 N ALA A 43 18.266 -10.784 12.098 1.00 0.40 N ATOM 652 CA ALA A 43 18.435 -12.059 12.779 1.00 0.47 C ATOM 653 C ALA A 43 17.975 -11.942 14.220 1.00 0.48 C ATOM 654 O ALA A 43 17.591 -12.926 14.853 1.00 0.53 O ATOM 655 CB ALA A 43 19.884 -12.510 12.716 1.00 0.52 C ATOM 0 H ALA A 43 19.060 -10.150 12.187 1.00 0.40 H new ATOM 0 HA ALA A 43 17.824 -12.809 12.276 1.00 0.47 H new ATOM 0 HB1 ALA A 43 19.991 -13.465 13.231 1.00 0.52 H new ATOM 0 HB2 ALA A 43 20.185 -12.623 11.674 1.00 0.52 H new ATOM 0 HB3 ALA A 43 20.518 -11.766 13.198 1.00 0.52 H new ATOM 661 N GLU A 44 18.018 -10.720 14.728 1.00 0.46 N ATOM 662 CA GLU A 44 17.602 -10.433 16.092 1.00 0.46 C ATOM 663 C GLU A 44 16.088 -10.437 16.203 1.00 0.45 C ATOM 664 O GLU A 44 15.509 -11.117 17.049 1.00 0.48 O ATOM 665 CB GLU A 44 18.124 -9.065 16.514 1.00 0.45 C ATOM 666 CG GLU A 44 19.629 -8.933 16.424 1.00 0.51 C ATOM 667 CD GLU A 44 20.351 -9.637 17.555 1.00 0.63 C ATOM 668 OE1 GLU A 44 19.855 -9.602 18.701 1.00 1.36 O ATOM 669 OE2 GLU A 44 21.427 -10.221 17.305 1.00 1.21 O ATOM 0 H GLU A 44 18.341 -9.903 14.209 1.00 0.46 H new ATOM 0 HA GLU A 44 18.010 -11.206 16.743 1.00 0.46 H new ATOM 0 HB2 GLU A 44 17.663 -8.301 15.888 1.00 0.45 H new ATOM 0 HB3 GLU A 44 17.812 -8.867 17.539 1.00 0.45 H new ATOM 0 HG2 GLU A 44 19.968 -9.342 15.472 1.00 0.51 H new ATOM 0 HG3 GLU A 44 19.897 -7.877 16.430 1.00 0.51 H new ATOM 676 N LEU A 45 15.459 -9.665 15.329 1.00 0.42 N ATOM 677 CA LEU A 45 14.006 -9.529 15.308 1.00 0.44 C ATOM 678 C LEU A 45 13.337 -10.654 14.526 1.00 0.48 C ATOM 679 O LEU A 45 12.114 -10.773 14.538 1.00 0.52 O ATOM 680 CB LEU A 45 13.632 -8.189 14.676 1.00 0.49 C ATOM 681 CG LEU A 45 14.607 -7.051 14.974 1.00 0.82 C ATOM 682 CD1 LEU A 45 14.773 -6.160 13.754 1.00 0.39 C ATOM 683 CD2 LEU A 45 14.125 -6.241 16.167 1.00 1.88 C ATOM 0 H LEU A 45 15.938 -9.116 14.615 1.00 0.42 H new ATOM 0 HA LEU A 45 13.654 -9.581 16.338 1.00 0.44 H new ATOM 0 HB2 LEU A 45 13.564 -8.318 13.596 1.00 0.49 H new ATOM 0 HB3 LEU A 45 12.641 -7.901 15.026 1.00 0.49 H new ATOM 0 HG LEU A 45 15.578 -7.481 15.219 1.00 0.82 H new ATOM 0 HD11 LEU A 45 15.471 -5.355 13.984 1.00 0.39 H new ATOM 0 HD12 LEU A 45 15.160 -6.749 12.923 1.00 0.39 H new ATOM 0 HD13 LEU A 45 13.807 -5.736 13.479 1.00 0.39 H new ATOM 0 HD21 LEU A 45 14.830 -5.434 16.367 1.00 1.88 H new ATOM 0 HD22 LEU A 45 13.144 -5.820 15.948 1.00 1.88 H new ATOM 0 HD23 LEU A 45 14.056 -6.888 17.042 1.00 1.88 H new ATOM 695 N ASN A 46 14.145 -11.468 13.847 1.00 0.49 N ATOM 696 CA ASN A 46 13.636 -12.573 13.030 1.00 0.54 C ATOM 697 C ASN A 46 12.794 -12.020 11.885 1.00 0.51 C ATOM 698 O ASN A 46 11.585 -12.236 11.812 1.00 0.60 O ATOM 699 CB ASN A 46 12.821 -13.572 13.867 1.00 0.62 C ATOM 700 CG ASN A 46 12.583 -14.888 13.140 1.00 1.22 C ATOM 701 OD1 ASN A 46 11.515 -15.491 13.252 1.00 2.01 O ATOM 702 ND2 ASN A 46 13.580 -15.351 12.401 1.00 1.90 N ATOM 0 H ASN A 46 15.161 -11.383 13.846 1.00 0.49 H new ATOM 0 HA ASN A 46 14.489 -13.115 12.622 1.00 0.54 H new ATOM 0 HB2 ASN A 46 13.344 -13.768 14.803 1.00 0.62 H new ATOM 0 HB3 ASN A 46 11.861 -13.125 14.126 1.00 0.62 H new ATOM 0 HD21 ASN A 46 13.477 -16.234 11.901 1.00 1.90 H new ATOM 0 HD22 ASN A 46 14.451 -14.824 12.331 1.00 1.90 H new ATOM 709 N TYR A 47 13.460 -11.291 11.004 1.00 0.42 N ATOM 710 CA TYR A 47 12.820 -10.662 9.862 1.00 0.39 C ATOM 711 C TYR A 47 12.536 -11.671 8.762 1.00 0.49 C ATOM 712 O TYR A 47 13.396 -12.476 8.397 1.00 0.58 O ATOM 713 CB TYR A 47 13.724 -9.537 9.354 1.00 0.27 C ATOM 714 CG TYR A 47 13.397 -9.008 7.978 1.00 0.25 C ATOM 715 CD1 TYR A 47 12.136 -8.525 7.676 1.00 1.16 C ATOM 716 CD2 TYR A 47 14.371 -8.973 6.989 1.00 1.07 C ATOM 717 CE1 TYR A 47 11.849 -8.022 6.426 1.00 1.16 C ATOM 718 CE2 TYR A 47 14.092 -8.474 5.734 1.00 1.08 C ATOM 719 CZ TYR A 47 12.831 -8.001 5.458 1.00 0.23 C ATOM 720 OH TYR A 47 12.549 -7.497 4.214 1.00 0.24 O ATOM 0 H TYR A 47 14.464 -11.119 11.062 1.00 0.42 H new ATOM 0 HA TYR A 47 11.859 -10.250 10.169 1.00 0.39 H new ATOM 0 HB2 TYR A 47 13.677 -8.710 10.062 1.00 0.27 H new ATOM 0 HB3 TYR A 47 14.753 -9.896 9.351 1.00 0.27 H new ATOM 0 HD1 TYR A 47 11.365 -8.543 8.432 1.00 1.16 H new ATOM 0 HD2 TYR A 47 15.362 -9.342 7.206 1.00 1.07 H new ATOM 0 HE1 TYR A 47 10.861 -7.646 6.205 1.00 1.16 H new ATOM 0 HE2 TYR A 47 14.859 -8.455 4.973 1.00 1.08 H new ATOM 0 HH TYR A 47 11.861 -6.803 4.290 1.00 0.24 H new ATOM 730 N ILE A 48 11.319 -11.611 8.240 1.00 0.56 N ATOM 731 CA ILE A 48 10.891 -12.503 7.174 1.00 0.66 C ATOM 732 C ILE A 48 10.625 -11.708 5.898 1.00 0.52 C ATOM 733 O ILE A 48 9.668 -10.934 5.838 1.00 0.55 O ATOM 734 CB ILE A 48 9.606 -13.281 7.546 1.00 0.91 C ATOM 735 CG1 ILE A 48 9.683 -13.821 8.978 1.00 1.16 C ATOM 736 CG2 ILE A 48 9.364 -14.413 6.554 1.00 0.98 C ATOM 737 CD1 ILE A 48 8.901 -12.985 9.972 1.00 1.01 C ATOM 0 H ILE A 48 10.606 -10.947 8.541 1.00 0.56 H new ATOM 0 HA ILE A 48 11.697 -13.220 7.018 1.00 0.66 H new ATOM 0 HB ILE A 48 8.764 -12.590 7.495 1.00 0.91 H new ATOM 0 HG12 ILE A 48 9.305 -14.843 8.995 1.00 1.16 H new ATOM 0 HG13 ILE A 48 10.727 -13.862 9.289 1.00 1.16 H new ATOM 0 HG21 ILE A 48 8.457 -14.950 6.830 1.00 0.98 H new ATOM 0 HG22 ILE A 48 9.251 -14.000 5.551 1.00 0.98 H new ATOM 0 HG23 ILE A 48 10.211 -15.099 6.571 1.00 0.98 H new ATOM 0 HD11 ILE A 48 8.996 -13.420 10.967 1.00 1.01 H new ATOM 0 HD12 ILE A 48 9.294 -11.968 9.981 1.00 1.01 H new ATOM 0 HD13 ILE A 48 7.850 -12.965 9.683 1.00 1.01 H new ATOM 749 N PRO A 49 11.487 -11.859 4.875 1.00 0.44 N ATOM 750 CA PRO A 49 11.331 -11.159 3.594 1.00 0.35 C ATOM 751 C PRO A 49 10.017 -11.532 2.910 1.00 0.39 C ATOM 752 O PRO A 49 9.747 -12.708 2.660 1.00 0.49 O ATOM 753 CB PRO A 49 12.535 -11.633 2.768 1.00 0.40 C ATOM 754 CG PRO A 49 13.507 -12.167 3.762 1.00 0.51 C ATOM 755 CD PRO A 49 12.681 -12.719 4.888 1.00 0.55 C ATOM 0 HA PRO A 49 11.299 -10.076 3.713 1.00 0.35 H new ATOM 0 HB2 PRO A 49 12.243 -12.401 2.052 1.00 0.40 H new ATOM 0 HB3 PRO A 49 12.968 -10.812 2.196 1.00 0.40 H new ATOM 0 HG2 PRO A 49 14.132 -12.942 3.319 1.00 0.51 H new ATOM 0 HG3 PRO A 49 14.175 -11.382 4.116 1.00 0.51 H new ATOM 0 HD2 PRO A 49 12.426 -13.766 4.726 1.00 0.55 H new ATOM 0 HD3 PRO A 49 13.208 -12.663 5.840 1.00 0.55 H new ATOM 763 N ASN A 50 9.201 -10.532 2.615 1.00 0.40 N ATOM 764 CA ASN A 50 7.913 -10.763 1.979 1.00 0.45 C ATOM 765 C ASN A 50 8.057 -10.836 0.467 1.00 0.49 C ATOM 766 O ASN A 50 8.322 -9.829 -0.192 1.00 0.54 O ATOM 767 CB ASN A 50 6.923 -9.660 2.359 1.00 0.45 C ATOM 768 CG ASN A 50 6.486 -9.738 3.805 1.00 0.46 C ATOM 769 OD1 ASN A 50 5.590 -10.504 4.162 1.00 0.50 O ATOM 770 ND2 ASN A 50 7.112 -8.935 4.651 1.00 0.46 N ATOM 0 H ASN A 50 9.408 -9.552 2.806 1.00 0.40 H new ATOM 0 HA ASN A 50 7.530 -11.720 2.334 1.00 0.45 H new ATOM 0 HB2 ASN A 50 7.380 -8.688 2.174 1.00 0.45 H new ATOM 0 HB3 ASN A 50 6.046 -9.727 1.715 1.00 0.45 H new ATOM 0 HD21 ASN A 50 6.857 -8.936 5.639 1.00 0.46 H new ATOM 0 HD22 ASN A 50 7.849 -8.315 4.315 1.00 0.46 H new ATOM 777 N ARG A 51 7.883 -12.031 -0.079 1.00 0.51 N ATOM 778 CA ARG A 51 7.992 -12.238 -1.513 1.00 0.57 C ATOM 779 C ARG A 51 6.745 -11.725 -2.220 1.00 0.56 C ATOM 780 O ARG A 51 6.800 -11.343 -3.385 1.00 0.59 O ATOM 781 CB ARG A 51 8.202 -13.719 -1.831 1.00 0.63 C ATOM 782 CG ARG A 51 9.226 -14.400 -0.935 1.00 1.42 C ATOM 783 CD ARG A 51 10.569 -13.688 -0.967 1.00 2.25 C ATOM 784 NE ARG A 51 11.247 -13.850 -2.248 1.00 3.08 N ATOM 785 CZ ARG A 51 12.537 -13.588 -2.446 1.00 4.17 C ATOM 786 NH1 ARG A 51 13.282 -13.112 -1.452 1.00 4.66 N ATOM 787 NH2 ARG A 51 13.074 -13.793 -3.640 1.00 5.04 N ATOM 0 H ARG A 51 7.665 -12.874 0.453 1.00 0.51 H new ATOM 0 HA ARG A 51 8.856 -11.679 -1.872 1.00 0.57 H new ATOM 0 HB2 ARG A 51 7.249 -14.240 -1.739 1.00 0.63 H new ATOM 0 HB3 ARG A 51 8.519 -13.817 -2.869 1.00 0.63 H new ATOM 0 HG2 ARG A 51 8.853 -14.426 0.089 1.00 1.42 H new ATOM 0 HG3 ARG A 51 9.356 -15.435 -1.253 1.00 1.42 H new ATOM 0 HD2 ARG A 51 10.421 -12.627 -0.768 1.00 2.25 H new ATOM 0 HD3 ARG A 51 11.203 -14.076 -0.170 1.00 2.25 H new ATOM 0 HE ARG A 51 10.699 -14.185 -3.041 1.00 3.08 H new ATOM 0 HH11 ARG A 51 12.865 -12.947 -0.536 1.00 4.66 H new ATOM 0 HH12 ARG A 51 14.270 -12.912 -1.606 1.00 4.66 H new ATOM 0 HH21 ARG A 51 12.499 -14.150 -4.403 1.00 5.04 H new ATOM 0 HH22 ARG A 51 14.062 -13.593 -3.796 1.00 5.04 H new ATOM 801 N CYS A 52 5.625 -11.699 -1.504 1.00 0.55 N ATOM 802 CA CYS A 52 4.371 -11.230 -2.072 1.00 0.55 C ATOM 803 C CYS A 52 4.432 -9.727 -2.279 1.00 0.52 C ATOM 804 O CYS A 52 3.973 -9.201 -3.294 1.00 0.57 O ATOM 805 CB CYS A 52 3.204 -11.595 -1.156 1.00 0.56 C ATOM 806 SG CYS A 52 2.157 -12.940 -1.800 1.00 0.83 S ATOM 0 H CYS A 52 5.563 -11.997 -0.531 1.00 0.55 H new ATOM 0 HA CYS A 52 4.215 -11.714 -3.036 1.00 0.55 H new ATOM 0 HB2 CYS A 52 3.596 -11.887 -0.182 1.00 0.56 H new ATOM 0 HB3 CYS A 52 2.587 -10.710 -0.999 1.00 0.56 H new ATOM 811 N ALA A 53 5.019 -9.045 -1.307 1.00 0.45 N ATOM 812 CA ALA A 53 5.180 -7.604 -1.374 1.00 0.43 C ATOM 813 C ALA A 53 6.190 -7.257 -2.451 1.00 0.43 C ATOM 814 O ALA A 53 6.086 -6.225 -3.106 1.00 0.44 O ATOM 815 CB ALA A 53 5.608 -7.063 -0.032 1.00 0.41 C ATOM 0 H ALA A 53 5.393 -9.471 -0.459 1.00 0.45 H new ATOM 0 HA ALA A 53 4.226 -7.143 -1.630 1.00 0.43 H new ATOM 0 HB1 ALA A 53 5.725 -5.981 -0.096 1.00 0.41 H new ATOM 0 HB2 ALA A 53 4.851 -7.302 0.715 1.00 0.41 H new ATOM 0 HB3 ALA A 53 6.557 -7.514 0.256 1.00 0.41 H new ATOM 821 N GLN A 54 7.154 -8.155 -2.641 1.00 0.45 N ATOM 822 CA GLN A 54 8.191 -7.981 -3.647 1.00 0.48 C ATOM 823 C GLN A 54 7.577 -8.072 -5.032 1.00 0.51 C ATOM 824 O GLN A 54 7.905 -7.286 -5.927 1.00 0.55 O ATOM 825 CB GLN A 54 9.271 -9.052 -3.483 1.00 0.50 C ATOM 826 CG GLN A 54 10.349 -9.001 -4.555 1.00 0.74 C ATOM 827 CD GLN A 54 11.320 -10.161 -4.473 1.00 0.82 C ATOM 828 OE1 GLN A 54 10.960 -11.264 -4.066 1.00 1.21 O ATOM 829 NE2 GLN A 54 12.558 -9.925 -4.872 1.00 1.07 N ATOM 0 H GLN A 54 7.236 -9.018 -2.104 1.00 0.45 H new ATOM 0 HA GLN A 54 8.649 -7.000 -3.520 1.00 0.48 H new ATOM 0 HB2 GLN A 54 9.738 -8.938 -2.505 1.00 0.50 H new ATOM 0 HB3 GLN A 54 8.801 -10.035 -3.499 1.00 0.50 H new ATOM 0 HG2 GLN A 54 9.877 -8.998 -5.537 1.00 0.74 H new ATOM 0 HG3 GLN A 54 10.901 -8.065 -4.464 1.00 0.74 H new ATOM 0 HE21 GLN A 54 12.819 -8.996 -5.203 1.00 1.07 H new ATOM 0 HE22 GLN A 54 13.252 -10.672 -4.849 1.00 1.07 H new ATOM 838 N GLN A 55 6.686 -9.042 -5.199 1.00 0.52 N ATOM 839 CA GLN A 55 5.995 -9.236 -6.464 1.00 0.57 C ATOM 840 C GLN A 55 5.134 -8.020 -6.783 1.00 0.58 C ATOM 841 O GLN A 55 5.007 -7.625 -7.939 1.00 0.74 O ATOM 842 CB GLN A 55 5.129 -10.492 -6.416 1.00 0.62 C ATOM 843 CG GLN A 55 5.931 -11.781 -6.406 1.00 0.65 C ATOM 844 CD GLN A 55 5.063 -13.002 -6.189 1.00 1.22 C ATOM 845 OE1 GLN A 55 4.856 -13.440 -5.057 1.00 1.83 O ATOM 846 NE2 GLN A 55 4.540 -13.553 -7.274 1.00 2.01 N ATOM 0 H GLN A 55 6.426 -9.707 -4.471 1.00 0.52 H new ATOM 0 HA GLN A 55 6.741 -9.359 -7.249 1.00 0.57 H new ATOM 0 HB2 GLN A 55 4.501 -10.457 -5.526 1.00 0.62 H new ATOM 0 HB3 GLN A 55 4.461 -10.496 -7.277 1.00 0.62 H new ATOM 0 HG2 GLN A 55 6.463 -11.881 -7.352 1.00 0.65 H new ATOM 0 HG3 GLN A 55 6.684 -11.730 -5.620 1.00 0.65 H new ATOM 0 HE21 GLN A 55 4.738 -13.157 -8.193 1.00 2.01 H new ATOM 0 HE22 GLN A 55 3.939 -14.373 -7.191 1.00 2.01 H new ATOM 855 N LEU A 56 4.545 -7.438 -5.743 1.00 0.51 N ATOM 856 CA LEU A 56 3.704 -6.257 -5.886 1.00 0.50 C ATOM 857 C LEU A 56 4.548 -5.023 -6.185 1.00 0.47 C ATOM 858 O LEU A 56 4.276 -4.283 -7.126 1.00 0.48 O ATOM 859 CB LEU A 56 2.901 -6.032 -4.609 1.00 0.49 C ATOM 860 CG LEU A 56 1.654 -5.177 -4.788 1.00 0.49 C ATOM 861 CD1 LEU A 56 0.587 -5.961 -5.526 1.00 0.51 C ATOM 862 CD2 LEU A 56 1.132 -4.704 -3.451 1.00 0.48 C ATOM 0 H LEU A 56 4.637 -7.770 -4.783 1.00 0.51 H new ATOM 0 HA LEU A 56 3.022 -6.422 -6.720 1.00 0.50 H new ATOM 0 HB2 LEU A 56 2.607 -7.001 -4.205 1.00 0.49 H new ATOM 0 HB3 LEU A 56 3.546 -5.560 -3.868 1.00 0.49 H new ATOM 0 HG LEU A 56 1.918 -4.300 -5.379 1.00 0.49 H new ATOM 0 HD11 LEU A 56 -0.301 -5.341 -5.649 1.00 0.51 H new ATOM 0 HD12 LEU A 56 0.963 -6.254 -6.506 1.00 0.51 H new ATOM 0 HD13 LEU A 56 0.330 -6.853 -4.954 1.00 0.51 H new ATOM 0 HD21 LEU A 56 0.241 -4.095 -3.603 1.00 0.48 H new ATOM 0 HD22 LEU A 56 0.881 -5.566 -2.833 1.00 0.48 H new ATOM 0 HD23 LEU A 56 1.897 -4.109 -2.951 1.00 0.48 H new ATOM 874 N ALA A 57 5.574 -4.816 -5.366 1.00 0.45 N ATOM 875 CA ALA A 57 6.480 -3.683 -5.521 1.00 0.44 C ATOM 876 C ALA A 57 7.143 -3.694 -6.891 1.00 0.46 C ATOM 877 O ALA A 57 7.399 -2.643 -7.478 1.00 0.49 O ATOM 878 CB ALA A 57 7.529 -3.700 -4.422 1.00 0.44 C ATOM 0 H ALA A 57 5.800 -5.425 -4.580 1.00 0.45 H new ATOM 0 HA ALA A 57 5.897 -2.766 -5.440 1.00 0.44 H new ATOM 0 HB1 ALA A 57 8.200 -2.850 -4.547 1.00 0.44 H new ATOM 0 HB2 ALA A 57 7.039 -3.636 -3.450 1.00 0.44 H new ATOM 0 HB3 ALA A 57 8.101 -4.626 -4.479 1.00 0.44 H new ATOM 884 N GLY A 58 7.416 -4.887 -7.400 1.00 0.53 N ATOM 885 CA GLY A 58 8.027 -5.012 -8.702 1.00 0.61 C ATOM 886 C GLY A 58 6.994 -5.173 -9.796 1.00 0.94 C ATOM 887 O GLY A 58 7.293 -5.729 -10.852 1.00 1.14 O ATOM 0 H GLY A 58 7.223 -5.772 -6.930 1.00 0.53 H new ATOM 0 HA2 GLY A 58 8.635 -4.130 -8.904 1.00 0.61 H new ATOM 0 HA3 GLY A 58 8.698 -5.871 -8.707 1.00 0.61 H new ATOM 1017 N VAL B 4 -8.812 -13.542 -7.217 1.00 0.78 N ATOM 1018 CA VAL B 4 -9.812 -12.531 -7.514 1.00 0.66 C ATOM 1019 C VAL B 4 -9.639 -11.367 -6.560 1.00 0.59 C ATOM 1020 O VAL B 4 -9.554 -11.553 -5.350 1.00 0.64 O ATOM 1021 CB VAL B 4 -11.245 -13.090 -7.401 1.00 0.63 C ATOM 1022 CG1 VAL B 4 -12.280 -12.001 -7.637 1.00 0.56 C ATOM 1023 CG2 VAL B 4 -11.450 -14.239 -8.375 1.00 0.73 C ATOM 0 HA VAL B 4 -9.668 -12.202 -8.543 1.00 0.66 H new ATOM 0 HB VAL B 4 -11.378 -13.467 -6.387 1.00 0.63 H new ATOM 0 HG11 VAL B 4 -13.280 -12.425 -7.551 1.00 0.56 H new ATOM 0 HG12 VAL B 4 -12.155 -11.213 -6.894 1.00 0.56 H new ATOM 0 HG13 VAL B 4 -12.148 -11.583 -8.635 1.00 0.56 H new ATOM 0 HG21 VAL B 4 -12.467 -14.620 -8.280 1.00 0.73 H new ATOM 0 HG22 VAL B 4 -11.289 -13.886 -9.393 1.00 0.73 H new ATOM 0 HG23 VAL B 4 -10.742 -15.037 -8.151 1.00 0.73 H new ATOM 1033 N THR B 5 -9.599 -10.173 -7.097 1.00 0.50 N ATOM 1034 CA THR B 5 -9.400 -9.001 -6.282 1.00 0.45 C ATOM 1035 C THR B 5 -10.731 -8.466 -5.785 1.00 0.40 C ATOM 1036 O THR B 5 -11.791 -8.864 -6.275 1.00 0.39 O ATOM 1037 CB THR B 5 -8.663 -7.910 -7.080 1.00 0.42 C ATOM 1038 OG1 THR B 5 -9.556 -7.313 -8.027 1.00 0.39 O ATOM 1039 CG2 THR B 5 -7.472 -8.498 -7.824 1.00 0.48 C ATOM 0 H THR B 5 -9.702 -9.987 -8.095 1.00 0.50 H new ATOM 0 HA THR B 5 -8.791 -9.283 -5.423 1.00 0.45 H new ATOM 0 HB THR B 5 -8.307 -7.156 -6.378 1.00 0.42 H new ATOM 0 HG1 THR B 5 -9.713 -7.936 -8.767 1.00 0.39 H new ATOM 0 HG21 THR B 5 -6.966 -7.710 -8.381 1.00 0.48 H new ATOM 0 HG22 THR B 5 -6.778 -8.940 -7.109 1.00 0.48 H new ATOM 0 HG23 THR B 5 -7.818 -9.266 -8.516 1.00 0.48 H new ATOM 1047 N LEU B 6 -10.689 -7.547 -4.828 1.00 0.39 N ATOM 1048 CA LEU B 6 -11.910 -6.964 -4.305 1.00 0.36 C ATOM 1049 C LEU B 6 -12.401 -5.950 -5.327 1.00 0.32 C ATOM 1050 O LEU B 6 -13.522 -5.439 -5.259 1.00 0.30 O ATOM 1051 CB LEU B 6 -11.618 -6.356 -2.928 1.00 0.41 C ATOM 1052 CG LEU B 6 -12.513 -5.223 -2.450 1.00 0.44 C ATOM 1053 CD1 LEU B 6 -12.756 -5.352 -0.956 1.00 0.65 C ATOM 1054 CD2 LEU B 6 -11.854 -3.901 -2.758 1.00 0.50 C ATOM 0 H LEU B 6 -9.831 -7.195 -4.404 1.00 0.39 H new ATOM 0 HA LEU B 6 -12.700 -7.700 -4.155 1.00 0.36 H new ATOM 0 HB2 LEU B 6 -11.669 -7.157 -2.190 1.00 0.41 H new ATOM 0 HB3 LEU B 6 -10.591 -5.992 -2.933 1.00 0.41 H new ATOM 0 HG LEU B 6 -13.472 -5.274 -2.965 1.00 0.44 H new ATOM 0 HD11 LEU B 6 -13.398 -4.537 -0.620 1.00 0.65 H new ATOM 0 HD12 LEU B 6 -13.241 -6.306 -0.747 1.00 0.65 H new ATOM 0 HD13 LEU B 6 -11.804 -5.306 -0.427 1.00 0.65 H new ATOM 0 HD21 LEU B 6 -12.494 -3.087 -2.416 1.00 0.50 H new ATOM 0 HD22 LEU B 6 -10.893 -3.846 -2.247 1.00 0.50 H new ATOM 0 HD23 LEU B 6 -11.699 -3.814 -3.833 1.00 0.50 H new ATOM 1066 N TYR B 7 -11.538 -5.722 -6.311 1.00 0.33 N ATOM 1067 CA TYR B 7 -11.809 -4.817 -7.403 1.00 0.32 C ATOM 1068 C TYR B 7 -12.726 -5.500 -8.411 1.00 0.32 C ATOM 1069 O TYR B 7 -13.642 -4.880 -8.961 1.00 0.35 O ATOM 1070 CB TYR B 7 -10.492 -4.413 -8.062 1.00 0.36 C ATOM 1071 CG TYR B 7 -9.777 -3.295 -7.341 1.00 0.37 C ATOM 1072 CD1 TYR B 7 -9.062 -3.508 -6.152 1.00 1.27 C ATOM 1073 CD2 TYR B 7 -9.823 -2.007 -7.854 1.00 1.24 C ATOM 1074 CE1 TYR B 7 -8.433 -2.460 -5.526 1.00 1.27 C ATOM 1075 CE2 TYR B 7 -9.185 -0.962 -7.223 1.00 1.25 C ATOM 1076 CZ TYR B 7 -8.493 -1.194 -6.060 1.00 0.44 C ATOM 1077 OH TYR B 7 -7.850 -0.154 -5.430 1.00 0.49 O ATOM 0 H TYR B 7 -10.623 -6.169 -6.366 1.00 0.33 H new ATOM 0 HA TYR B 7 -12.305 -3.921 -7.031 1.00 0.32 H new ATOM 0 HB2 TYR B 7 -9.836 -5.283 -8.109 1.00 0.36 H new ATOM 0 HB3 TYR B 7 -10.688 -4.106 -9.089 1.00 0.36 H new ATOM 0 HD1 TYR B 7 -9.006 -4.500 -5.728 1.00 1.27 H new ATOM 0 HD2 TYR B 7 -10.370 -1.820 -8.766 1.00 1.24 H new ATOM 0 HE1 TYR B 7 -7.888 -2.631 -4.609 1.00 1.27 H new ATOM 0 HE2 TYR B 7 -9.229 0.033 -7.640 1.00 1.25 H new ATOM 0 HH TYR B 7 -8.384 0.145 -4.664 1.00 0.49 H new ATOM 1087 N ASP B 8 -12.479 -6.795 -8.629 1.00 0.33 N ATOM 1088 CA ASP B 8 -13.283 -7.596 -9.552 1.00 0.35 C ATOM 1089 C ASP B 8 -14.709 -7.700 -9.043 1.00 0.31 C ATOM 1090 O ASP B 8 -15.667 -7.605 -9.813 1.00 0.33 O ATOM 1091 CB ASP B 8 -12.701 -9.004 -9.705 1.00 0.41 C ATOM 1092 CG ASP B 8 -11.397 -9.022 -10.470 1.00 0.49 C ATOM 1093 OD1 ASP B 8 -11.440 -9.038 -11.719 1.00 1.31 O ATOM 1094 OD2 ASP B 8 -10.328 -9.025 -9.824 1.00 1.07 O ATOM 0 H ASP B 8 -11.725 -7.311 -8.176 1.00 0.33 H new ATOM 0 HA ASP B 8 -13.272 -7.102 -10.524 1.00 0.35 H new ATOM 0 HB2 ASP B 8 -12.543 -9.435 -8.717 1.00 0.41 H new ATOM 0 HB3 ASP B 8 -13.425 -9.637 -10.217 1.00 0.41 H new ATOM 1099 N VAL B 9 -14.828 -7.898 -7.733 1.00 0.27 N ATOM 1100 CA VAL B 9 -16.120 -8.014 -7.072 1.00 0.25 C ATOM 1101 C VAL B 9 -16.939 -6.742 -7.263 1.00 0.25 C ATOM 1102 O VAL B 9 -18.124 -6.797 -7.594 1.00 0.28 O ATOM 1103 CB VAL B 9 -15.935 -8.299 -5.564 1.00 0.25 C ATOM 1104 CG1 VAL B 9 -17.273 -8.411 -4.848 1.00 0.27 C ATOM 1105 CG2 VAL B 9 -15.118 -9.565 -5.359 1.00 0.28 C ATOM 0 H VAL B 9 -14.031 -7.982 -7.102 1.00 0.27 H new ATOM 0 HA VAL B 9 -16.657 -8.847 -7.525 1.00 0.25 H new ATOM 0 HB VAL B 9 -15.396 -7.456 -5.132 1.00 0.25 H new ATOM 0 HG11 VAL B 9 -17.104 -8.612 -3.790 1.00 0.27 H new ATOM 0 HG12 VAL B 9 -17.823 -7.476 -4.957 1.00 0.27 H new ATOM 0 HG13 VAL B 9 -17.852 -9.225 -5.284 1.00 0.27 H new ATOM 0 HG21 VAL B 9 -14.997 -9.751 -4.292 1.00 0.28 H new ATOM 0 HG22 VAL B 9 -15.633 -10.409 -5.818 1.00 0.28 H new ATOM 0 HG23 VAL B 9 -14.138 -9.444 -5.820 1.00 0.28 H new ATOM 1115 N ALA B 10 -16.287 -5.600 -7.080 1.00 0.25 N ATOM 1116 CA ALA B 10 -16.938 -4.305 -7.233 1.00 0.28 C ATOM 1117 C ALA B 10 -17.374 -4.080 -8.672 1.00 0.33 C ATOM 1118 O ALA B 10 -18.510 -3.680 -8.933 1.00 0.37 O ATOM 1119 CB ALA B 10 -15.999 -3.195 -6.799 1.00 0.31 C ATOM 0 H ALA B 10 -15.301 -5.545 -6.824 1.00 0.25 H new ATOM 0 HA ALA B 10 -17.825 -4.295 -6.600 1.00 0.28 H new ATOM 0 HB1 ALA B 10 -16.495 -2.232 -6.917 1.00 0.31 H new ATOM 0 HB2 ALA B 10 -15.727 -3.337 -5.753 1.00 0.31 H new ATOM 0 HB3 ALA B 10 -15.100 -3.218 -7.414 1.00 0.31 H new ATOM 1125 N GLU B 11 -16.462 -4.362 -9.596 1.00 0.36 N ATOM 1126 CA GLU B 11 -16.711 -4.185 -11.024 1.00 0.44 C ATOM 1127 C GLU B 11 -17.917 -4.998 -11.490 1.00 0.47 C ATOM 1128 O GLU B 11 -18.744 -4.510 -12.263 1.00 0.56 O ATOM 1129 CB GLU B 11 -15.466 -4.586 -11.814 1.00 0.51 C ATOM 1130 CG GLU B 11 -15.680 -4.665 -13.320 1.00 1.27 C ATOM 1131 CD GLU B 11 -14.391 -4.906 -14.072 1.00 1.67 C ATOM 1132 OE1 GLU B 11 -13.966 -6.078 -14.166 1.00 2.34 O ATOM 1133 OE2 GLU B 11 -13.802 -3.925 -14.571 1.00 2.16 O ATOM 0 H GLU B 11 -15.532 -4.719 -9.378 1.00 0.36 H new ATOM 0 HA GLU B 11 -16.936 -3.133 -11.203 1.00 0.44 H new ATOM 0 HB2 GLU B 11 -14.672 -3.868 -11.608 1.00 0.51 H new ATOM 0 HB3 GLU B 11 -15.119 -5.556 -11.456 1.00 0.51 H new ATOM 0 HG2 GLU B 11 -16.383 -5.467 -13.543 1.00 1.27 H new ATOM 0 HG3 GLU B 11 -16.134 -3.737 -13.669 1.00 1.27 H new ATOM 1140 N TYR B 12 -18.021 -6.230 -11.010 1.00 0.43 N ATOM 1141 CA TYR B 12 -19.124 -7.105 -11.386 1.00 0.49 C ATOM 1142 C TYR B 12 -20.419 -6.645 -10.734 1.00 0.49 C ATOM 1143 O TYR B 12 -21.483 -6.657 -11.354 1.00 0.58 O ATOM 1144 CB TYR B 12 -18.826 -8.546 -10.973 1.00 0.49 C ATOM 1145 CG TYR B 12 -19.838 -9.541 -11.497 1.00 0.58 C ATOM 1146 CD1 TYR B 12 -19.767 -10.009 -12.800 1.00 1.48 C ATOM 1147 CD2 TYR B 12 -20.871 -10.004 -10.688 1.00 1.15 C ATOM 1148 CE1 TYR B 12 -20.692 -10.914 -13.285 1.00 1.58 C ATOM 1149 CE2 TYR B 12 -21.797 -10.908 -11.165 1.00 1.18 C ATOM 1150 CZ TYR B 12 -21.705 -11.360 -12.463 1.00 0.81 C ATOM 1151 OH TYR B 12 -22.633 -12.261 -12.940 1.00 0.94 O ATOM 0 H TYR B 12 -17.355 -6.646 -10.359 1.00 0.43 H new ATOM 0 HA TYR B 12 -19.238 -7.060 -12.469 1.00 0.49 H new ATOM 0 HB2 TYR B 12 -17.835 -8.822 -11.334 1.00 0.49 H new ATOM 0 HB3 TYR B 12 -18.798 -8.606 -9.885 1.00 0.49 H new ATOM 0 HD1 TYR B 12 -18.976 -9.660 -13.447 1.00 1.48 H new ATOM 0 HD2 TYR B 12 -20.949 -9.650 -9.671 1.00 1.15 H new ATOM 0 HE1 TYR B 12 -20.622 -11.270 -14.302 1.00 1.58 H new ATOM 0 HE2 TYR B 12 -22.591 -11.260 -10.523 1.00 1.18 H new ATOM 0 HH TYR B 12 -23.013 -12.767 -12.191 1.00 0.94 H new ATOM 1161 N ALA B 13 -20.318 -6.246 -9.472 1.00 0.43 N ATOM 1162 CA ALA B 13 -21.473 -5.787 -8.717 1.00 0.48 C ATOM 1163 C ALA B 13 -22.014 -4.468 -9.266 1.00 0.52 C ATOM 1164 O ALA B 13 -23.192 -4.143 -9.090 1.00 0.64 O ATOM 1165 CB ALA B 13 -21.101 -5.647 -7.250 1.00 0.43 C ATOM 0 H ALA B 13 -19.442 -6.232 -8.949 1.00 0.43 H new ATOM 0 HA ALA B 13 -22.266 -6.528 -8.817 1.00 0.48 H new ATOM 0 HB1 ALA B 13 -21.968 -5.303 -6.686 1.00 0.43 H new ATOM 0 HB2 ALA B 13 -20.777 -6.613 -6.863 1.00 0.43 H new ATOM 0 HB3 ALA B 13 -20.291 -4.925 -7.147 1.00 0.43 H new ATOM 1171 N GLY B 14 -21.151 -3.723 -9.945 1.00 0.48 N ATOM 1172 CA GLY B 14 -21.541 -2.448 -10.516 1.00 0.55 C ATOM 1173 C GLY B 14 -21.423 -1.319 -9.516 1.00 0.52 C ATOM 1174 O GLY B 14 -22.067 -0.278 -9.656 1.00 0.59 O ATOM 0 H GLY B 14 -20.179 -3.982 -10.112 1.00 0.48 H new ATOM 0 HA2 GLY B 14 -20.915 -2.232 -11.382 1.00 0.55 H new ATOM 0 HA3 GLY B 14 -22.569 -2.510 -10.873 1.00 0.55 H new ATOM 1178 N VAL B 15 -20.596 -1.529 -8.506 1.00 0.47 N ATOM 1179 CA VAL B 15 -20.385 -0.543 -7.464 1.00 0.46 C ATOM 1180 C VAL B 15 -18.920 -0.157 -7.397 1.00 0.43 C ATOM 1181 O VAL B 15 -18.081 -0.746 -8.079 1.00 0.43 O ATOM 1182 CB VAL B 15 -20.821 -1.086 -6.085 1.00 0.43 C ATOM 1183 CG1 VAL B 15 -22.321 -1.338 -6.058 1.00 0.50 C ATOM 1184 CG2 VAL B 15 -20.054 -2.359 -5.736 1.00 0.36 C ATOM 0 H VAL B 15 -20.054 -2.385 -8.387 1.00 0.47 H new ATOM 0 HA VAL B 15 -20.990 0.330 -7.709 1.00 0.46 H new ATOM 0 HB VAL B 15 -20.587 -0.332 -5.333 1.00 0.43 H new ATOM 0 HG11 VAL B 15 -22.608 -1.720 -5.078 1.00 0.50 H new ATOM 0 HG12 VAL B 15 -22.850 -0.405 -6.253 1.00 0.50 H new ATOM 0 HG13 VAL B 15 -22.581 -2.069 -6.823 1.00 0.50 H new ATOM 0 HG21 VAL B 15 -20.378 -2.723 -4.761 1.00 0.36 H new ATOM 0 HG22 VAL B 15 -20.250 -3.120 -6.491 1.00 0.36 H new ATOM 0 HG23 VAL B 15 -18.986 -2.144 -5.707 1.00 0.36 H new ATOM 1194 N SER B 16 -18.615 0.845 -6.596 1.00 0.45 N ATOM 1195 CA SER B 16 -17.241 1.264 -6.427 1.00 0.46 C ATOM 1196 C SER B 16 -16.508 0.218 -5.599 1.00 0.41 C ATOM 1197 O SER B 16 -17.125 -0.480 -4.793 1.00 0.39 O ATOM 1198 CB SER B 16 -17.185 2.620 -5.732 1.00 0.50 C ATOM 1199 OG SER B 16 -18.452 2.966 -5.191 1.00 0.64 O ATOM 0 H SER B 16 -19.296 1.380 -6.056 1.00 0.45 H new ATOM 0 HA SER B 16 -16.764 1.361 -7.402 1.00 0.46 H new ATOM 0 HB2 SER B 16 -16.440 2.595 -4.936 1.00 0.50 H new ATOM 0 HB3 SER B 16 -16.867 3.384 -6.442 1.00 0.50 H new ATOM 0 HG SER B 16 -18.715 2.300 -4.523 1.00 0.64 H new ATOM 1205 N TYR B 17 -15.200 0.103 -5.785 1.00 0.42 N ATOM 1206 CA TYR B 17 -14.419 -0.878 -5.042 1.00 0.41 C ATOM 1207 C TYR B 17 -14.460 -0.580 -3.540 1.00 0.41 C ATOM 1208 O TYR B 17 -14.258 -1.464 -2.707 1.00 0.40 O ATOM 1209 CB TYR B 17 -12.990 -0.940 -5.598 1.00 0.51 C ATOM 1210 CG TYR B 17 -11.939 -0.321 -4.716 1.00 0.40 C ATOM 1211 CD1 TYR B 17 -11.767 1.048 -4.667 1.00 1.26 C ATOM 1212 CD2 TYR B 17 -11.121 -1.117 -3.931 1.00 1.31 C ATOM 1213 CE1 TYR B 17 -10.807 1.613 -3.860 1.00 1.43 C ATOM 1214 CE2 TYR B 17 -10.159 -0.571 -3.114 1.00 1.49 C ATOM 1215 CZ TYR B 17 -10.006 0.805 -3.085 1.00 1.02 C ATOM 1216 OH TYR B 17 -9.060 1.379 -2.280 1.00 1.42 O ATOM 0 H TYR B 17 -14.661 0.671 -6.438 1.00 0.42 H new ATOM 0 HA TYR B 17 -14.859 -1.867 -5.172 1.00 0.41 H new ATOM 0 HB2 TYR B 17 -12.729 -1.984 -5.772 1.00 0.51 H new ATOM 0 HB3 TYR B 17 -12.971 -0.441 -6.567 1.00 0.51 H new ATOM 0 HD1 TYR B 17 -12.396 1.685 -5.271 1.00 1.26 H new ATOM 0 HD2 TYR B 17 -11.241 -2.190 -3.961 1.00 1.31 H new ATOM 0 HE1 TYR B 17 -10.682 2.685 -3.835 1.00 1.43 H new ATOM 0 HE2 TYR B 17 -9.533 -1.205 -2.504 1.00 1.49 H new ATOM 0 HH TYR B 17 -8.575 0.679 -1.794 1.00 1.42 H new ATOM 1226 N GLN B 18 -14.748 0.671 -3.206 1.00 0.42 N ATOM 1227 CA GLN B 18 -14.860 1.084 -1.817 1.00 0.44 C ATOM 1228 C GLN B 18 -16.161 0.562 -1.222 1.00 0.38 C ATOM 1229 O GLN B 18 -16.262 0.351 -0.016 1.00 0.38 O ATOM 1230 CB GLN B 18 -14.818 2.598 -1.710 1.00 0.52 C ATOM 1231 CG GLN B 18 -13.430 3.181 -1.863 1.00 0.97 C ATOM 1232 CD GLN B 18 -13.472 4.643 -2.213 1.00 0.84 C ATOM 1233 OE1 GLN B 18 -13.589 5.498 -1.335 1.00 0.93 O ATOM 1234 NE2 GLN B 18 -13.369 4.947 -3.500 1.00 0.87 N ATOM 0 H GLN B 18 -14.908 1.418 -3.882 1.00 0.42 H new ATOM 0 HA GLN B 18 -14.019 0.669 -1.262 1.00 0.44 H new ATOM 0 HB2 GLN B 18 -15.468 3.025 -2.473 1.00 0.52 H new ATOM 0 HB3 GLN B 18 -15.223 2.896 -0.743 1.00 0.52 H new ATOM 0 HG2 GLN B 18 -12.875 3.046 -0.935 1.00 0.97 H new ATOM 0 HG3 GLN B 18 -12.891 2.637 -2.639 1.00 0.97 H new ATOM 0 HE21 GLN B 18 -13.274 4.205 -4.193 1.00 0.87 H new ATOM 0 HE22 GLN B 18 -13.385 5.923 -3.796 1.00 0.87 H new ATOM 1243 N THR B 19 -17.154 0.359 -2.085 1.00 0.39 N ATOM 1244 CA THR B 19 -18.444 -0.163 -1.662 1.00 0.38 C ATOM 1245 C THR B 19 -18.264 -1.573 -1.114 1.00 0.34 C ATOM 1246 O THR B 19 -19.003 -2.015 -0.230 1.00 0.36 O ATOM 1247 CB THR B 19 -19.448 -0.165 -2.832 1.00 0.41 C ATOM 1248 OG1 THR B 19 -19.440 1.119 -3.472 1.00 0.54 O ATOM 1249 CG2 THR B 19 -20.855 -0.486 -2.352 1.00 0.45 C ATOM 0 H THR B 19 -17.086 0.550 -3.085 1.00 0.39 H new ATOM 0 HA THR B 19 -18.845 0.481 -0.880 1.00 0.38 H new ATOM 0 HB THR B 19 -19.146 -0.937 -3.540 1.00 0.41 H new ATOM 0 HG1 THR B 19 -20.325 1.301 -3.852 1.00 0.54 H new ATOM 0 HG21 THR B 19 -21.539 -0.480 -3.200 1.00 0.45 H new ATOM 0 HG22 THR B 19 -20.864 -1.471 -1.886 1.00 0.45 H new ATOM 0 HG23 THR B 19 -21.171 0.262 -1.625 1.00 0.45 H new ATOM 1257 N VAL B 20 -17.249 -2.262 -1.629 1.00 0.33 N ATOM 1258 CA VAL B 20 -16.937 -3.604 -1.171 1.00 0.33 C ATOM 1259 C VAL B 20 -16.292 -3.506 0.207 1.00 0.36 C ATOM 1260 O VAL B 20 -16.700 -4.213 1.124 1.00 0.40 O ATOM 1261 CB VAL B 20 -16.031 -4.375 -2.151 1.00 0.39 C ATOM 1262 CG1 VAL B 20 -15.950 -5.842 -1.762 1.00 0.40 C ATOM 1263 CG2 VAL B 20 -16.539 -4.241 -3.578 1.00 0.44 C ATOM 0 H VAL B 20 -16.633 -1.910 -2.362 1.00 0.33 H new ATOM 0 HA VAL B 20 -17.865 -4.173 -1.116 1.00 0.33 H new ATOM 0 HB VAL B 20 -15.032 -3.942 -2.097 1.00 0.39 H new ATOM 0 HG11 VAL B 20 -15.306 -6.370 -2.465 1.00 0.40 H new ATOM 0 HG12 VAL B 20 -15.538 -5.930 -0.757 1.00 0.40 H new ATOM 0 HG13 VAL B 20 -16.948 -6.280 -1.785 1.00 0.40 H new ATOM 0 HG21 VAL B 20 -15.883 -4.793 -4.251 1.00 0.44 H new ATOM 0 HG22 VAL B 20 -17.550 -4.644 -3.644 1.00 0.44 H new ATOM 0 HG23 VAL B 20 -16.549 -3.189 -3.863 1.00 0.44 H new ATOM 1273 N SER B 21 -15.281 -2.626 0.350 1.00 0.39 N ATOM 1274 CA SER B 21 -14.648 -2.372 1.638 1.00 0.45 C ATOM 1275 C SER B 21 -15.713 -2.118 2.702 1.00 0.45 C ATOM 1276 O SER B 21 -15.577 -2.536 3.853 1.00 0.52 O ATOM 1277 CB SER B 21 -13.740 -1.148 1.521 1.00 0.50 C ATOM 1278 OG SER B 21 -13.161 -0.801 2.767 1.00 1.29 O ATOM 0 H SER B 21 -14.892 -2.083 -0.420 1.00 0.39 H new ATOM 0 HA SER B 21 -14.058 -3.242 1.927 1.00 0.45 H new ATOM 0 HB2 SER B 21 -12.951 -1.349 0.797 1.00 0.50 H new ATOM 0 HB3 SER B 21 -14.315 -0.304 1.140 1.00 0.50 H new ATOM 0 HG SER B 21 -12.586 -0.016 2.653 1.00 1.29 H new ATOM 1284 N ARG B 22 -16.775 -1.431 2.296 1.00 0.44 N ATOM 1285 CA ARG B 22 -17.885 -1.125 3.182 1.00 0.51 C ATOM 1286 C ARG B 22 -18.555 -2.410 3.663 1.00 0.54 C ATOM 1287 O ARG B 22 -18.534 -2.717 4.847 1.00 0.65 O ATOM 1288 CB ARG B 22 -18.908 -0.239 2.464 1.00 0.59 C ATOM 1289 CG ARG B 22 -18.436 1.185 2.215 1.00 0.72 C ATOM 1290 CD ARG B 22 -18.424 2.007 3.495 1.00 1.03 C ATOM 1291 NE ARG B 22 -18.235 3.436 3.226 1.00 1.46 N ATOM 1292 CZ ARG B 22 -17.954 4.342 4.163 1.00 2.05 C ATOM 1293 NH1 ARG B 22 -17.806 3.966 5.425 1.00 2.55 N ATOM 1294 NH2 ARG B 22 -17.824 5.625 3.835 1.00 2.66 N ATOM 0 H ARG B 22 -16.888 -1.073 1.347 1.00 0.44 H new ATOM 0 HA ARG B 22 -17.497 -0.588 4.047 1.00 0.51 H new ATOM 0 HB2 ARG B 22 -19.161 -0.698 1.508 1.00 0.59 H new ATOM 0 HB3 ARG B 22 -19.823 -0.208 3.055 1.00 0.59 H new ATOM 0 HG2 ARG B 22 -17.434 1.166 1.785 1.00 0.72 H new ATOM 0 HG3 ARG B 22 -19.088 1.661 1.483 1.00 0.72 H new ATOM 0 HD2 ARG B 22 -19.362 1.859 4.030 1.00 1.03 H new ATOM 0 HD3 ARG B 22 -17.626 1.652 4.147 1.00 1.03 H new ATOM 0 HE ARG B 22 -18.324 3.757 2.262 1.00 1.46 H new ATOM 0 HH11 ARG B 22 -17.907 2.983 5.680 1.00 2.55 H new ATOM 0 HH12 ARG B 22 -17.591 4.659 6.142 1.00 2.55 H new ATOM 0 HH21 ARG B 22 -17.939 5.918 2.865 1.00 2.66 H new ATOM 0 HH22 ARG B 22 -17.609 6.316 4.554 1.00 2.66 H new ATOM 1308 N VAL B 23 -19.093 -3.185 2.730 1.00 0.50 N ATOM 1309 CA VAL B 23 -19.779 -4.433 3.063 1.00 0.58 C ATOM 1310 C VAL B 23 -18.872 -5.376 3.847 1.00 0.62 C ATOM 1311 O VAL B 23 -19.318 -6.074 4.761 1.00 0.74 O ATOM 1312 CB VAL B 23 -20.266 -5.155 1.787 1.00 0.57 C ATOM 1313 CG1 VAL B 23 -21.009 -6.436 2.136 1.00 0.67 C ATOM 1314 CG2 VAL B 23 -21.136 -4.236 0.941 1.00 0.55 C ATOM 0 H VAL B 23 -19.069 -2.973 1.733 1.00 0.50 H new ATOM 0 HA VAL B 23 -20.636 -4.167 3.681 1.00 0.58 H new ATOM 0 HB VAL B 23 -19.389 -5.425 1.199 1.00 0.57 H new ATOM 0 HG11 VAL B 23 -21.341 -6.925 1.220 1.00 0.67 H new ATOM 0 HG12 VAL B 23 -20.345 -7.104 2.684 1.00 0.67 H new ATOM 0 HG13 VAL B 23 -21.874 -6.198 2.755 1.00 0.67 H new ATOM 0 HG21 VAL B 23 -21.466 -4.768 0.049 1.00 0.55 H new ATOM 0 HG22 VAL B 23 -22.005 -3.924 1.520 1.00 0.55 H new ATOM 0 HG23 VAL B 23 -20.560 -3.358 0.648 1.00 0.55 H new ATOM 1324 N VAL B 24 -17.599 -5.374 3.497 1.00 0.59 N ATOM 1325 CA VAL B 24 -16.619 -6.229 4.140 1.00 0.69 C ATOM 1326 C VAL B 24 -16.286 -5.755 5.564 1.00 0.76 C ATOM 1327 O VAL B 24 -16.039 -6.575 6.453 1.00 0.89 O ATOM 1328 CB VAL B 24 -15.327 -6.301 3.290 1.00 0.68 C ATOM 1329 CG1 VAL B 24 -14.197 -6.976 4.046 1.00 0.81 C ATOM 1330 CG2 VAL B 24 -15.593 -7.031 1.979 1.00 0.66 C ATOM 0 H VAL B 24 -17.216 -4.781 2.761 1.00 0.59 H new ATOM 0 HA VAL B 24 -17.058 -7.224 4.217 1.00 0.69 H new ATOM 0 HB VAL B 24 -15.019 -5.278 3.072 1.00 0.68 H new ATOM 0 HG11 VAL B 24 -13.307 -7.008 3.418 1.00 0.81 H new ATOM 0 HG12 VAL B 24 -13.980 -6.414 4.954 1.00 0.81 H new ATOM 0 HG13 VAL B 24 -14.492 -7.992 4.310 1.00 0.81 H new ATOM 0 HG21 VAL B 24 -14.675 -7.073 1.393 1.00 0.66 H new ATOM 0 HG22 VAL B 24 -15.936 -8.044 2.190 1.00 0.66 H new ATOM 0 HG23 VAL B 24 -16.359 -6.499 1.415 1.00 0.66 H new ATOM 1340 N ASN B 25 -16.302 -4.443 5.792 1.00 0.72 N ATOM 1341 CA ASN B 25 -15.960 -3.899 7.105 1.00 0.79 C ATOM 1342 C ASN B 25 -17.063 -3.026 7.702 1.00 1.20 C ATOM 1343 O ASN B 25 -17.759 -3.431 8.634 1.00 1.68 O ATOM 1344 CB ASN B 25 -14.683 -3.064 7.010 1.00 0.77 C ATOM 1345 CG ASN B 25 -13.525 -3.821 6.400 1.00 1.05 C ATOM 1346 OD1 ASN B 25 -12.706 -4.407 7.105 1.00 1.59 O ATOM 1347 ND2 ASN B 25 -13.448 -3.813 5.082 1.00 1.07 N ATOM 0 H ASN B 25 -16.546 -3.742 5.092 1.00 0.72 H new ATOM 0 HA ASN B 25 -15.821 -4.758 7.762 1.00 0.79 H new ATOM 0 HB2 ASN B 25 -14.882 -2.173 6.414 1.00 0.77 H new ATOM 0 HB3 ASN B 25 -14.403 -2.724 8.007 1.00 0.77 H new ATOM 0 HD21 ASN B 25 -12.688 -4.306 4.613 1.00 1.07 H new ATOM 0 HD22 ASN B 25 -14.148 -3.314 4.533 1.00 1.07 H new ATOM 1392 N HIS B 29 -23.965 2.659 6.160 1.00 0.98 N ATOM 1393 CA HIS B 29 -24.149 3.330 4.874 1.00 0.93 C ATOM 1394 C HIS B 29 -24.184 2.307 3.745 1.00 0.85 C ATOM 1395 O HIS B 29 -23.839 2.609 2.604 1.00 1.08 O ATOM 1396 CB HIS B 29 -23.079 4.371 4.541 1.00 1.01 C ATOM 1397 CG HIS B 29 -22.278 4.952 5.668 1.00 0.97 C ATOM 1398 ND1 HIS B 29 -21.022 5.454 5.454 1.00 1.04 N ATOM 1399 CD2 HIS B 29 -22.544 5.157 6.983 1.00 1.26 C ATOM 1400 CE1 HIS B 29 -20.545 5.942 6.570 1.00 1.07 C ATOM 1401 NE2 HIS B 29 -21.443 5.777 7.520 1.00 1.31 N ATOM 0 HA HIS B 29 -25.096 3.861 4.967 1.00 0.93 H new ATOM 0 HB2 HIS B 29 -22.382 3.918 3.837 1.00 1.01 H new ATOM 0 HB3 HIS B 29 -23.567 5.195 4.021 1.00 1.01 H new ATOM 0 HD2 HIS B 29 -23.448 4.885 7.507 1.00 1.26 H new ATOM 0 HE1 HIS B 29 -19.576 6.403 6.692 1.00 1.07 H new ATOM 0 HE2 HIS B 29 -21.338 6.063 8.493 1.00 1.31 H new ATOM 1410 N VAL B 30 -24.570 1.090 4.073 1.00 0.81 N ATOM 1411 CA VAL B 30 -24.663 0.031 3.088 1.00 0.78 C ATOM 1412 C VAL B 30 -26.042 -0.591 3.134 1.00 0.81 C ATOM 1413 O VAL B 30 -26.381 -1.312 4.076 1.00 0.92 O ATOM 1414 CB VAL B 30 -23.600 -1.073 3.298 1.00 0.88 C ATOM 1415 CG1 VAL B 30 -23.694 -2.117 2.195 1.00 1.01 C ATOM 1416 CG2 VAL B 30 -22.200 -0.479 3.345 1.00 1.22 C ATOM 0 H VAL B 30 -24.826 0.809 5.020 1.00 0.81 H new ATOM 0 HA VAL B 30 -24.479 0.485 2.114 1.00 0.78 H new ATOM 0 HB VAL B 30 -23.797 -1.555 4.255 1.00 0.88 H new ATOM 0 HG11 VAL B 30 -22.939 -2.887 2.357 1.00 1.01 H new ATOM 0 HG12 VAL B 30 -24.685 -2.572 2.208 1.00 1.01 H new ATOM 0 HG13 VAL B 30 -23.525 -1.642 1.229 1.00 1.01 H new ATOM 0 HG21 VAL B 30 -21.471 -1.276 3.493 1.00 1.22 H new ATOM 0 HG22 VAL B 30 -21.991 0.034 2.406 1.00 1.22 H new ATOM 0 HG23 VAL B 30 -22.134 0.231 4.169 1.00 1.22 H new ATOM 1426 N SER B 31 -26.846 -0.267 2.140 1.00 0.82 N ATOM 1427 CA SER B 31 -28.188 -0.801 2.044 1.00 0.88 C ATOM 1428 C SER B 31 -28.143 -2.292 1.730 1.00 0.94 C ATOM 1429 O SER B 31 -27.166 -2.782 1.157 1.00 1.42 O ATOM 1430 CB SER B 31 -28.956 -0.049 0.961 1.00 0.90 C ATOM 1431 OG SER B 31 -28.071 0.486 -0.010 1.00 0.83 O ATOM 0 H SER B 31 -26.590 0.368 1.384 1.00 0.82 H new ATOM 0 HA SER B 31 -28.697 -0.670 2.999 1.00 0.88 H new ATOM 0 HB2 SER B 31 -29.666 -0.722 0.480 1.00 0.90 H new ATOM 0 HB3 SER B 31 -29.535 0.756 1.413 1.00 0.90 H new ATOM 0 HG SER B 31 -27.532 -0.236 -0.395 1.00 0.83 H new ATOM 1437 N ALA B 32 -29.196 -3.008 2.109 1.00 0.88 N ATOM 1438 CA ALA B 32 -29.276 -4.440 1.864 1.00 0.92 C ATOM 1439 C ALA B 32 -29.133 -4.734 0.376 1.00 0.86 C ATOM 1440 O ALA B 32 -28.479 -5.698 -0.007 1.00 0.88 O ATOM 1441 CB ALA B 32 -30.589 -4.994 2.396 1.00 1.07 C ATOM 0 H ALA B 32 -30.007 -2.617 2.588 1.00 0.88 H new ATOM 0 HA ALA B 32 -28.457 -4.930 2.390 1.00 0.92 H new ATOM 0 HB1 ALA B 32 -30.635 -6.066 2.206 1.00 1.07 H new ATOM 0 HB2 ALA B 32 -30.652 -4.813 3.469 1.00 1.07 H new ATOM 0 HB3 ALA B 32 -31.422 -4.500 1.895 1.00 1.07 H new ATOM 1447 N LYS B 33 -29.725 -3.874 -0.453 1.00 0.85 N ATOM 1448 CA LYS B 33 -29.664 -4.023 -1.905 1.00 0.87 C ATOM 1449 C LYS B 33 -28.220 -4.154 -2.387 1.00 0.79 C ATOM 1450 O LYS B 33 -27.864 -5.135 -3.035 1.00 0.86 O ATOM 1451 CB LYS B 33 -30.331 -2.823 -2.589 1.00 0.95 C ATOM 1452 CG LYS B 33 -30.417 -2.950 -4.103 1.00 1.51 C ATOM 1453 CD LYS B 33 -31.353 -4.077 -4.519 1.00 1.82 C ATOM 1454 CE LYS B 33 -32.813 -3.697 -4.319 1.00 2.55 C ATOM 1455 NZ LYS B 33 -33.711 -4.880 -4.429 1.00 3.30 N ATOM 0 H LYS B 33 -30.256 -3.061 -0.139 1.00 0.85 H new ATOM 0 HA LYS B 33 -30.199 -4.935 -2.171 1.00 0.87 H new ATOM 0 HB2 LYS B 33 -31.336 -2.699 -2.186 1.00 0.95 H new ATOM 0 HB3 LYS B 33 -29.775 -1.919 -2.340 1.00 0.95 H new ATOM 0 HG2 LYS B 33 -30.768 -2.010 -4.528 1.00 1.51 H new ATOM 0 HG3 LYS B 33 -29.423 -3.133 -4.510 1.00 1.51 H new ATOM 0 HD2 LYS B 33 -31.181 -4.325 -5.566 1.00 1.82 H new ATOM 0 HD3 LYS B 33 -31.127 -4.971 -3.939 1.00 1.82 H new ATOM 0 HE2 LYS B 33 -32.938 -3.235 -3.339 1.00 2.55 H new ATOM 0 HE3 LYS B 33 -33.100 -2.952 -5.061 1.00 2.55 H new ATOM 0 HZ1 LYS B 33 -34.697 -4.582 -4.287 1.00 3.30 H new ATOM 0 HZ2 LYS B 33 -33.610 -5.306 -5.373 1.00 3.30 H new ATOM 0 HZ3 LYS B 33 -33.453 -5.580 -3.704 1.00 3.30 H new ATOM 1469 N THR B 34 -27.395 -3.169 -2.056 1.00 0.68 N ATOM 1470 CA THR B 34 -25.994 -3.169 -2.458 1.00 0.61 C ATOM 1471 C THR B 34 -25.213 -4.283 -1.769 1.00 0.57 C ATOM 1472 O THR B 34 -24.362 -4.928 -2.385 1.00 0.54 O ATOM 1473 CB THR B 34 -25.337 -1.820 -2.125 1.00 0.64 C ATOM 1474 OG1 THR B 34 -26.290 -0.967 -1.472 1.00 0.79 O ATOM 1475 CG2 THR B 34 -24.815 -1.145 -3.383 1.00 0.73 C ATOM 0 H THR B 34 -27.674 -2.356 -1.507 1.00 0.68 H new ATOM 0 HA THR B 34 -25.969 -3.337 -3.535 1.00 0.61 H new ATOM 0 HB THR B 34 -24.493 -2.001 -1.459 1.00 0.64 H new ATOM 0 HG1 THR B 34 -25.868 -0.108 -1.259 1.00 0.79 H new ATOM 0 HG21 THR B 34 -24.355 -0.192 -3.121 1.00 0.73 H new ATOM 0 HG22 THR B 34 -24.074 -1.787 -3.860 1.00 0.73 H new ATOM 0 HG23 THR B 34 -25.641 -0.971 -4.072 1.00 0.73 H new ATOM 1483 N ARG B 35 -25.519 -4.506 -0.497 1.00 0.61 N ATOM 1484 CA ARG B 35 -24.855 -5.533 0.301 1.00 0.61 C ATOM 1485 C ARG B 35 -25.041 -6.916 -0.319 1.00 0.60 C ATOM 1486 O ARG B 35 -24.084 -7.677 -0.469 1.00 0.60 O ATOM 1487 CB ARG B 35 -25.410 -5.521 1.728 1.00 0.69 C ATOM 1488 CG ARG B 35 -24.501 -6.191 2.741 1.00 0.89 C ATOM 1489 CD ARG B 35 -25.134 -6.230 4.122 1.00 1.00 C ATOM 1490 NE ARG B 35 -25.452 -4.893 4.620 1.00 1.71 N ATOM 1491 CZ ARG B 35 -26.422 -4.640 5.499 1.00 2.09 C ATOM 1492 NH1 ARG B 35 -27.198 -5.619 5.948 1.00 1.87 N ATOM 1493 NH2 ARG B 35 -26.631 -3.398 5.914 1.00 3.21 N ATOM 0 H ARG B 35 -26.232 -3.983 0.011 1.00 0.61 H new ATOM 0 HA ARG B 35 -23.788 -5.312 0.324 1.00 0.61 H new ATOM 0 HB2 ARG B 35 -25.581 -4.489 2.033 1.00 0.69 H new ATOM 0 HB3 ARG B 35 -26.379 -6.020 1.736 1.00 0.69 H new ATOM 0 HG2 ARG B 35 -24.277 -7.206 2.414 1.00 0.89 H new ATOM 0 HG3 ARG B 35 -23.553 -5.656 2.790 1.00 0.89 H new ATOM 0 HD2 ARG B 35 -26.044 -6.829 4.086 1.00 1.00 H new ATOM 0 HD3 ARG B 35 -24.455 -6.723 4.818 1.00 1.00 H new ATOM 0 HE ARG B 35 -24.900 -4.108 4.275 1.00 1.71 H new ATOM 0 HH11 ARG B 35 -27.055 -6.574 5.621 1.00 1.87 H new ATOM 0 HH12 ARG B 35 -27.938 -5.416 6.620 1.00 1.87 H new ATOM 0 HH21 ARG B 35 -26.050 -2.638 5.561 1.00 3.21 H new ATOM 0 HH22 ARG B 35 -27.373 -3.203 6.586 1.00 3.21 H new ATOM 1507 N GLU B 36 -26.278 -7.220 -0.688 1.00 0.63 N ATOM 1508 CA GLU B 36 -26.618 -8.503 -1.294 1.00 0.67 C ATOM 1509 C GLU B 36 -25.898 -8.699 -2.625 1.00 0.62 C ATOM 1510 O GLU B 36 -25.413 -9.790 -2.922 1.00 0.65 O ATOM 1511 CB GLU B 36 -28.130 -8.601 -1.501 1.00 0.75 C ATOM 1512 CG GLU B 36 -28.904 -8.743 -0.203 1.00 0.84 C ATOM 1513 CD GLU B 36 -28.905 -10.160 0.321 1.00 1.38 C ATOM 1514 OE1 GLU B 36 -27.945 -10.544 1.023 1.00 2.09 O ATOM 1515 OE2 GLU B 36 -29.867 -10.901 0.026 1.00 1.98 O ATOM 0 H GLU B 36 -27.071 -6.589 -0.577 1.00 0.63 H new ATOM 0 HA GLU B 36 -26.292 -9.291 -0.615 1.00 0.67 H new ATOM 0 HB2 GLU B 36 -28.476 -7.712 -2.027 1.00 0.75 H new ATOM 0 HB3 GLU B 36 -28.348 -9.456 -2.142 1.00 0.75 H new ATOM 0 HG2 GLU B 36 -28.471 -8.082 0.548 1.00 0.84 H new ATOM 0 HG3 GLU B 36 -29.932 -8.417 -0.360 1.00 0.84 H new ATOM 1522 N LYS B 37 -25.816 -7.634 -3.417 1.00 0.58 N ATOM 1523 CA LYS B 37 -25.162 -7.709 -4.721 1.00 0.56 C ATOM 1524 C LYS B 37 -23.673 -8.006 -4.575 1.00 0.48 C ATOM 1525 O LYS B 37 -23.123 -8.826 -5.313 1.00 0.49 O ATOM 1526 CB LYS B 37 -25.351 -6.411 -5.504 1.00 0.58 C ATOM 1527 CG LYS B 37 -26.801 -6.038 -5.729 1.00 1.00 C ATOM 1528 CD LYS B 37 -26.928 -4.930 -6.756 1.00 1.13 C ATOM 1529 CE LYS B 37 -28.364 -4.456 -6.882 1.00 1.31 C ATOM 1530 NZ LYS B 37 -28.603 -3.746 -8.166 1.00 1.66 N ATOM 0 H LYS B 37 -26.191 -6.715 -3.182 1.00 0.58 H new ATOM 0 HA LYS B 37 -25.630 -8.525 -5.271 1.00 0.56 H new ATOM 0 HB2 LYS B 37 -24.856 -5.600 -4.970 1.00 0.58 H new ATOM 0 HB3 LYS B 37 -24.856 -6.505 -6.470 1.00 0.58 H new ATOM 0 HG2 LYS B 37 -27.357 -6.914 -6.064 1.00 1.00 H new ATOM 0 HG3 LYS B 37 -27.247 -5.718 -4.788 1.00 1.00 H new ATOM 0 HD2 LYS B 37 -26.290 -4.093 -6.472 1.00 1.13 H new ATOM 0 HD3 LYS B 37 -26.574 -5.286 -7.724 1.00 1.13 H new ATOM 0 HE2 LYS B 37 -29.036 -5.311 -6.809 1.00 1.31 H new ATOM 0 HE3 LYS B 37 -28.601 -3.792 -6.051 1.00 1.31 H new ATOM 0 HZ1 LYS B 37 -29.595 -3.438 -8.213 1.00 1.66 H new ATOM 0 HZ2 LYS B 37 -27.980 -2.915 -8.225 1.00 1.66 H new ATOM 0 HZ3 LYS B 37 -28.401 -4.387 -8.960 1.00 1.66 H new ATOM 1544 N VAL B 38 -23.027 -7.338 -3.626 1.00 0.43 N ATOM 1545 CA VAL B 38 -21.601 -7.539 -3.388 1.00 0.37 C ATOM 1546 C VAL B 38 -21.340 -8.955 -2.881 1.00 0.39 C ATOM 1547 O VAL B 38 -20.396 -9.619 -3.316 1.00 0.37 O ATOM 1548 CB VAL B 38 -21.038 -6.513 -2.377 1.00 0.36 C ATOM 1549 CG1 VAL B 38 -19.563 -6.775 -2.102 1.00 0.36 C ATOM 1550 CG2 VAL B 38 -21.244 -5.091 -2.885 1.00 0.38 C ATOM 0 H VAL B 38 -23.466 -6.654 -3.010 1.00 0.43 H new ATOM 0 HA VAL B 38 -21.090 -7.393 -4.340 1.00 0.37 H new ATOM 0 HB VAL B 38 -21.583 -6.626 -1.440 1.00 0.36 H new ATOM 0 HG11 VAL B 38 -19.190 -6.041 -1.388 1.00 0.36 H new ATOM 0 HG12 VAL B 38 -19.442 -7.776 -1.689 1.00 0.36 H new ATOM 0 HG13 VAL B 38 -19.000 -6.696 -3.032 1.00 0.36 H new ATOM 0 HG21 VAL B 38 -20.841 -4.384 -2.160 1.00 0.38 H new ATOM 0 HG22 VAL B 38 -20.729 -4.967 -3.838 1.00 0.38 H new ATOM 0 HG23 VAL B 38 -22.309 -4.904 -3.021 1.00 0.38 H new ATOM 1560 N GLU B 39 -22.183 -9.409 -1.956 1.00 0.45 N ATOM 1561 CA GLU B 39 -22.068 -10.753 -1.401 1.00 0.50 C ATOM 1562 C GLU B 39 -22.206 -11.812 -2.493 1.00 0.53 C ATOM 1563 O GLU B 39 -21.483 -12.809 -2.498 1.00 0.55 O ATOM 1564 CB GLU B 39 -23.129 -10.986 -0.330 1.00 0.59 C ATOM 1565 CG GLU B 39 -22.764 -10.406 1.023 1.00 0.63 C ATOM 1566 CD GLU B 39 -23.554 -11.038 2.150 1.00 1.12 C ATOM 1567 OE1 GLU B 39 -23.266 -12.205 2.498 1.00 1.79 O ATOM 1568 OE2 GLU B 39 -24.454 -10.374 2.702 1.00 1.76 O ATOM 0 H GLU B 39 -22.955 -8.863 -1.575 1.00 0.45 H new ATOM 0 HA GLU B 39 -21.079 -10.839 -0.951 1.00 0.50 H new ATOM 0 HB2 GLU B 39 -24.070 -10.548 -0.662 1.00 0.59 H new ATOM 0 HB3 GLU B 39 -23.296 -12.058 -0.223 1.00 0.59 H new ATOM 0 HG2 GLU B 39 -21.699 -10.551 1.203 1.00 0.63 H new ATOM 0 HG3 GLU B 39 -22.942 -9.331 1.015 1.00 0.63 H new ATOM 1575 N ALA B 40 -23.143 -11.600 -3.413 1.00 0.55 N ATOM 1576 CA ALA B 40 -23.365 -12.540 -4.510 1.00 0.61 C ATOM 1577 C ALA B 40 -22.199 -12.517 -5.492 1.00 0.53 C ATOM 1578 O ALA B 40 -21.801 -13.554 -6.021 1.00 0.55 O ATOM 1579 CB ALA B 40 -24.668 -12.222 -5.226 1.00 0.70 C ATOM 0 H ALA B 40 -23.760 -10.788 -3.422 1.00 0.55 H new ATOM 0 HA ALA B 40 -23.434 -13.543 -4.089 1.00 0.61 H new ATOM 0 HB1 ALA B 40 -24.818 -12.931 -6.040 1.00 0.70 H new ATOM 0 HB2 ALA B 40 -25.497 -12.296 -4.522 1.00 0.70 H new ATOM 0 HB3 ALA B 40 -24.624 -11.210 -5.630 1.00 0.70 H new ATOM 1585 N ALA B 41 -21.643 -11.330 -5.711 1.00 0.47 N ATOM 1586 CA ALA B 41 -20.519 -11.163 -6.628 1.00 0.43 C ATOM 1587 C ALA B 41 -19.300 -11.945 -6.154 1.00 0.38 C ATOM 1588 O ALA B 41 -18.503 -12.417 -6.960 1.00 0.39 O ATOM 1589 CB ALA B 41 -20.179 -9.689 -6.789 1.00 0.42 C ATOM 0 H ALA B 41 -21.953 -10.467 -5.265 1.00 0.47 H new ATOM 0 HA ALA B 41 -20.815 -11.561 -7.599 1.00 0.43 H new ATOM 0 HB1 ALA B 41 -19.339 -9.582 -7.476 1.00 0.42 H new ATOM 0 HB2 ALA B 41 -21.043 -9.158 -7.187 1.00 0.42 H new ATOM 0 HB3 ALA B 41 -19.911 -9.270 -5.819 1.00 0.42 H new ATOM 1595 N MET B 42 -19.176 -12.095 -4.841 1.00 0.38 N ATOM 1596 CA MET B 42 -18.065 -12.831 -4.250 1.00 0.40 C ATOM 1597 C MET B 42 -18.068 -14.283 -4.713 1.00 0.45 C ATOM 1598 O MET B 42 -17.023 -14.928 -4.758 1.00 0.52 O ATOM 1599 CB MET B 42 -18.134 -12.774 -2.721 1.00 0.44 C ATOM 1600 CG MET B 42 -17.849 -11.397 -2.143 1.00 0.41 C ATOM 1601 SD MET B 42 -18.082 -11.334 -0.355 1.00 0.51 S ATOM 1602 CE MET B 42 -17.840 -9.584 -0.047 1.00 0.46 C ATOM 0 H MET B 42 -19.835 -11.714 -4.162 1.00 0.38 H new ATOM 0 HA MET B 42 -17.139 -12.361 -4.581 1.00 0.40 H new ATOM 0 HB2 MET B 42 -19.125 -13.094 -2.400 1.00 0.44 H new ATOM 0 HB3 MET B 42 -17.419 -13.486 -2.308 1.00 0.44 H new ATOM 0 HG2 MET B 42 -16.825 -11.111 -2.383 1.00 0.41 H new ATOM 0 HG3 MET B 42 -18.503 -10.665 -2.617 1.00 0.41 H new ATOM 0 HE1 MET B 42 -17.209 -9.453 0.832 1.00 0.46 H new ATOM 0 HE2 MET B 42 -17.359 -9.126 -0.911 1.00 0.46 H new ATOM 0 HE3 MET B 42 -18.805 -9.108 0.126 1.00 0.46 H new ATOM 1612 N ALA B 43 -19.243 -14.785 -5.072 1.00 0.46 N ATOM 1613 CA ALA B 43 -19.372 -16.159 -5.532 1.00 0.53 C ATOM 1614 C ALA B 43 -19.277 -16.226 -7.051 1.00 0.55 C ATOM 1615 O ALA B 43 -18.798 -17.211 -7.612 1.00 0.62 O ATOM 1616 CB ALA B 43 -20.683 -16.763 -5.050 1.00 0.61 C ATOM 0 H ALA B 43 -20.118 -14.261 -5.053 1.00 0.46 H new ATOM 0 HA ALA B 43 -18.552 -16.741 -5.112 1.00 0.53 H new ATOM 0 HB1 ALA B 43 -20.762 -17.791 -5.404 1.00 0.61 H new ATOM 0 HB2 ALA B 43 -20.710 -16.751 -3.960 1.00 0.61 H new ATOM 0 HB3 ALA B 43 -21.517 -16.180 -5.440 1.00 0.61 H new ATOM 1622 N GLU B 44 -19.728 -15.164 -7.714 1.00 0.54 N ATOM 1623 CA GLU B 44 -19.698 -15.094 -9.169 1.00 0.58 C ATOM 1624 C GLU B 44 -18.267 -15.139 -9.684 1.00 0.59 C ATOM 1625 O GLU B 44 -17.923 -15.955 -10.542 1.00 0.68 O ATOM 1626 CB GLU B 44 -20.377 -13.813 -9.638 1.00 0.58 C ATOM 1627 CG GLU B 44 -21.865 -13.784 -9.347 1.00 0.63 C ATOM 1628 CD GLU B 44 -22.651 -14.707 -10.256 1.00 0.84 C ATOM 1629 OE1 GLU B 44 -22.952 -14.303 -11.397 1.00 1.29 O ATOM 1630 OE2 GLU B 44 -22.960 -15.843 -9.844 1.00 1.55 O ATOM 0 H GLU B 44 -20.120 -14.338 -7.262 1.00 0.54 H new ATOM 0 HA GLU B 44 -20.234 -15.956 -9.567 1.00 0.58 H new ATOM 0 HB2 GLU B 44 -19.902 -12.960 -9.154 1.00 0.58 H new ATOM 0 HB3 GLU B 44 -20.221 -13.699 -10.711 1.00 0.58 H new ATOM 0 HG2 GLU B 44 -22.035 -14.070 -8.309 1.00 0.63 H new ATOM 0 HG3 GLU B 44 -22.235 -12.765 -9.461 1.00 0.63 H new ATOM 1637 N LEU B 45 -17.432 -14.258 -9.147 1.00 0.52 N ATOM 1638 CA LEU B 45 -16.029 -14.192 -9.555 1.00 0.55 C ATOM 1639 C LEU B 45 -15.195 -15.201 -8.793 1.00 0.55 C ATOM 1640 O LEU B 45 -14.072 -15.512 -9.199 1.00 0.63 O ATOM 1641 CB LEU B 45 -15.422 -12.804 -9.307 1.00 0.51 C ATOM 1642 CG LEU B 45 -16.044 -11.623 -10.065 1.00 0.60 C ATOM 1643 CD1 LEU B 45 -16.663 -12.067 -11.386 1.00 0.97 C ATOM 1644 CD2 LEU B 45 -17.071 -10.919 -9.198 1.00 0.99 C ATOM 0 H LEU B 45 -17.697 -13.581 -8.431 1.00 0.52 H new ATOM 0 HA LEU B 45 -16.014 -14.410 -10.623 1.00 0.55 H new ATOM 0 HB2 LEU B 45 -15.486 -12.592 -8.240 1.00 0.51 H new ATOM 0 HB3 LEU B 45 -14.363 -12.848 -9.560 1.00 0.51 H new ATOM 0 HG LEU B 45 -15.245 -10.920 -10.300 1.00 0.60 H new ATOM 0 HD11 LEU B 45 -17.093 -11.204 -11.894 1.00 0.97 H new ATOM 0 HD12 LEU B 45 -15.894 -12.513 -12.016 1.00 0.97 H new ATOM 0 HD13 LEU B 45 -17.445 -12.801 -11.193 1.00 0.97 H new ATOM 0 HD21 LEU B 45 -17.502 -10.084 -9.750 1.00 0.99 H new ATOM 0 HD22 LEU B 45 -17.860 -11.620 -8.926 1.00 0.99 H new ATOM 0 HD23 LEU B 45 -16.590 -10.546 -8.294 1.00 0.99 H new ATOM 1656 N ASN B 46 -15.761 -15.725 -7.702 1.00 0.53 N ATOM 1657 CA ASN B 46 -15.056 -16.657 -6.827 1.00 0.59 C ATOM 1658 C ASN B 46 -13.929 -15.886 -6.150 1.00 0.54 C ATOM 1659 O ASN B 46 -12.753 -16.218 -6.275 1.00 0.59 O ATOM 1660 CB ASN B 46 -14.509 -17.865 -7.598 1.00 0.71 C ATOM 1661 CG ASN B 46 -14.245 -19.062 -6.705 1.00 1.02 C ATOM 1662 OD1 ASN B 46 -15.039 -20.003 -6.653 1.00 1.77 O ATOM 1663 ND2 ASN B 46 -13.129 -19.036 -5.999 1.00 1.40 N ATOM 0 H ASN B 46 -16.714 -15.515 -7.405 1.00 0.53 H new ATOM 0 HA ASN B 46 -15.747 -17.059 -6.086 1.00 0.59 H new ATOM 0 HB2 ASN B 46 -15.220 -18.147 -8.375 1.00 0.71 H new ATOM 0 HB3 ASN B 46 -13.584 -17.581 -8.100 1.00 0.71 H new ATOM 0 HD21 ASN B 46 -12.898 -19.814 -5.382 1.00 1.40 H new ATOM 0 HD22 ASN B 46 -12.498 -18.238 -6.071 1.00 1.40 H new ATOM 1670 N TYR B 47 -14.337 -14.835 -5.448 1.00 0.48 N ATOM 1671 CA TYR B 47 -13.436 -13.919 -4.765 1.00 0.46 C ATOM 1672 C TYR B 47 -12.412 -14.622 -3.868 1.00 0.52 C ATOM 1673 O TYR B 47 -12.755 -15.244 -2.861 1.00 0.58 O ATOM 1674 CB TYR B 47 -14.263 -12.910 -3.953 1.00 0.43 C ATOM 1675 CG TYR B 47 -13.455 -11.839 -3.237 1.00 0.42 C ATOM 1676 CD1 TYR B 47 -12.147 -11.535 -3.611 1.00 1.20 C ATOM 1677 CD2 TYR B 47 -14.007 -11.135 -2.174 1.00 1.31 C ATOM 1678 CE1 TYR B 47 -11.419 -10.568 -2.949 1.00 1.21 C ATOM 1679 CE2 TYR B 47 -13.280 -10.165 -1.506 1.00 1.33 C ATOM 1680 CZ TYR B 47 -11.986 -9.888 -1.898 1.00 0.46 C ATOM 1681 OH TYR B 47 -11.253 -8.930 -1.235 1.00 0.51 O ATOM 0 H TYR B 47 -15.322 -14.593 -5.337 1.00 0.48 H new ATOM 0 HA TYR B 47 -12.855 -13.406 -5.531 1.00 0.46 H new ATOM 0 HB2 TYR B 47 -14.971 -12.422 -4.623 1.00 0.43 H new ATOM 0 HB3 TYR B 47 -14.849 -13.456 -3.213 1.00 0.43 H new ATOM 0 HD1 TYR B 47 -11.695 -12.067 -4.435 1.00 1.20 H new ATOM 0 HD2 TYR B 47 -15.019 -11.348 -1.864 1.00 1.31 H new ATOM 0 HE1 TYR B 47 -10.407 -10.346 -3.256 1.00 1.21 H new ATOM 0 HE2 TYR B 47 -13.724 -9.627 -0.681 1.00 1.33 H new ATOM 0 HH TYR B 47 -11.796 -8.541 -0.518 1.00 0.51 H new ATOM 1691 N ILE B 48 -11.152 -14.514 -4.279 1.00 0.56 N ATOM 1692 CA ILE B 48 -10.021 -15.045 -3.534 1.00 0.64 C ATOM 1693 C ILE B 48 -9.055 -13.890 -3.260 1.00 0.59 C ATOM 1694 O ILE B 48 -8.214 -13.564 -4.102 1.00 0.58 O ATOM 1695 CB ILE B 48 -9.287 -16.170 -4.294 1.00 0.73 C ATOM 1696 CG1 ILE B 48 -10.254 -17.293 -4.672 1.00 0.83 C ATOM 1697 CG2 ILE B 48 -8.155 -16.716 -3.440 1.00 0.84 C ATOM 1698 CD1 ILE B 48 -9.680 -18.266 -5.678 1.00 1.28 C ATOM 0 H ILE B 48 -10.887 -14.050 -5.148 1.00 0.56 H new ATOM 0 HA ILE B 48 -10.391 -15.484 -2.607 1.00 0.64 H new ATOM 0 HB ILE B 48 -8.874 -15.755 -5.213 1.00 0.73 H new ATOM 0 HG12 ILE B 48 -10.537 -17.838 -3.771 1.00 0.83 H new ATOM 0 HG13 ILE B 48 -11.166 -16.856 -5.080 1.00 0.83 H new ATOM 0 HG21 ILE B 48 -7.641 -17.510 -3.982 1.00 0.84 H new ATOM 0 HG22 ILE B 48 -7.451 -15.915 -3.214 1.00 0.84 H new ATOM 0 HG23 ILE B 48 -8.561 -17.115 -2.510 1.00 0.84 H new ATOM 0 HD11 ILE B 48 -10.418 -19.036 -5.901 1.00 1.28 H new ATOM 0 HD12 ILE B 48 -9.423 -17.733 -6.594 1.00 1.28 H new ATOM 0 HD13 ILE B 48 -8.785 -18.730 -5.265 1.00 1.28 H new ATOM 1710 N PRO B 49 -9.190 -13.262 -2.076 1.00 0.62 N ATOM 1711 CA PRO B 49 -8.395 -12.095 -1.662 1.00 0.64 C ATOM 1712 C PRO B 49 -6.926 -12.136 -2.076 1.00 0.60 C ATOM 1713 O PRO B 49 -6.274 -13.182 -2.012 1.00 0.66 O ATOM 1714 CB PRO B 49 -8.521 -12.128 -0.144 1.00 0.80 C ATOM 1715 CG PRO B 49 -9.881 -12.680 0.094 1.00 0.83 C ATOM 1716 CD PRO B 49 -10.128 -13.675 -1.013 1.00 0.72 C ATOM 0 HA PRO B 49 -8.761 -11.187 -2.141 1.00 0.64 H new ATOM 0 HB2 PRO B 49 -7.752 -12.755 0.307 1.00 0.80 H new ATOM 0 HB3 PRO B 49 -8.414 -11.133 0.287 1.00 0.80 H new ATOM 0 HG2 PRO B 49 -9.941 -13.160 1.071 1.00 0.83 H new ATOM 0 HG3 PRO B 49 -10.631 -11.889 0.081 1.00 0.83 H new ATOM 0 HD2 PRO B 49 -9.934 -14.696 -0.683 1.00 0.72 H new ATOM 0 HD3 PRO B 49 -11.162 -13.642 -1.357 1.00 0.72 H new ATOM 1724 N ASN B 50 -6.425 -10.979 -2.516 1.00 0.57 N ATOM 1725 CA ASN B 50 -5.031 -10.832 -2.922 1.00 0.58 C ATOM 1726 C ASN B 50 -4.128 -11.101 -1.723 1.00 0.60 C ATOM 1727 O ASN B 50 -3.904 -10.213 -0.909 1.00 0.71 O ATOM 1728 CB ASN B 50 -4.746 -9.411 -3.449 1.00 0.74 C ATOM 1729 CG ASN B 50 -5.712 -8.927 -4.522 1.00 0.87 C ATOM 1730 OD1 ASN B 50 -6.924 -9.120 -4.434 1.00 1.64 O ATOM 1731 ND2 ASN B 50 -5.172 -8.268 -5.540 1.00 0.68 N ATOM 0 H ASN B 50 -6.974 -10.123 -2.599 1.00 0.57 H new ATOM 0 HA ASN B 50 -4.834 -11.545 -3.722 1.00 0.58 H new ATOM 0 HB2 ASN B 50 -4.776 -8.714 -2.611 1.00 0.74 H new ATOM 0 HB3 ASN B 50 -3.733 -9.383 -3.851 1.00 0.74 H new ATOM 0 HD21 ASN B 50 -5.767 -7.902 -6.284 1.00 0.68 H new ATOM 0 HD22 ASN B 50 -4.162 -8.128 -5.579 1.00 0.68 H new ATOM 1738 N ARG B 51 -3.615 -12.318 -1.614 1.00 0.72 N ATOM 1739 CA ARG B 51 -2.758 -12.700 -0.494 1.00 0.84 C ATOM 1740 C ARG B 51 -1.560 -11.770 -0.345 1.00 0.76 C ATOM 1741 O ARG B 51 -1.098 -11.515 0.767 1.00 0.85 O ATOM 1742 CB ARG B 51 -2.275 -14.133 -0.673 1.00 1.06 C ATOM 1743 CG ARG B 51 -3.379 -15.164 -0.550 1.00 1.68 C ATOM 1744 CD ARG B 51 -2.820 -16.575 -0.497 1.00 2.18 C ATOM 1745 NE ARG B 51 -2.097 -16.929 -1.716 1.00 2.97 N ATOM 1746 CZ ARG B 51 -2.491 -17.876 -2.567 1.00 3.81 C ATOM 1747 NH1 ARG B 51 -3.597 -18.574 -2.334 1.00 4.03 N ATOM 1748 NH2 ARG B 51 -1.777 -18.131 -3.654 1.00 4.76 N ATOM 0 H ARG B 51 -3.777 -13.064 -2.291 1.00 0.72 H new ATOM 0 HA ARG B 51 -3.355 -12.620 0.414 1.00 0.84 H new ATOM 0 HB2 ARG B 51 -1.806 -14.230 -1.652 1.00 1.06 H new ATOM 0 HB3 ARG B 51 -1.507 -14.345 0.071 1.00 1.06 H new ATOM 0 HG2 ARG B 51 -3.962 -14.969 0.350 1.00 1.68 H new ATOM 0 HG3 ARG B 51 -4.059 -15.073 -1.397 1.00 1.68 H new ATOM 0 HD2 ARG B 51 -2.152 -16.667 0.359 1.00 2.18 H new ATOM 0 HD3 ARG B 51 -3.636 -17.281 -0.342 1.00 2.18 H new ATOM 0 HE ARG B 51 -1.239 -16.421 -1.929 1.00 2.97 H new ATOM 0 HH11 ARG B 51 -4.152 -18.387 -1.499 1.00 4.03 H new ATOM 0 HH12 ARG B 51 -3.892 -19.297 -2.990 1.00 4.03 H new ATOM 0 HH21 ARG B 51 -0.925 -17.602 -3.840 1.00 4.76 H new ATOM 0 HH22 ARG B 51 -2.080 -18.856 -4.304 1.00 4.76 H new ATOM 1762 N CYS B 52 -1.061 -11.259 -1.458 1.00 0.66 N ATOM 1763 CA CYS B 52 0.089 -10.372 -1.431 1.00 0.62 C ATOM 1764 C CYS B 52 -0.306 -8.937 -1.094 1.00 0.58 C ATOM 1765 O CYS B 52 0.183 -8.363 -0.123 1.00 0.61 O ATOM 1766 CB CYS B 52 0.800 -10.408 -2.781 1.00 0.66 C ATOM 1767 SG CYS B 52 1.188 -12.090 -3.369 1.00 0.70 S ATOM 0 H CYS B 52 -1.433 -11.443 -2.390 1.00 0.66 H new ATOM 0 HA CYS B 52 0.760 -10.724 -0.648 1.00 0.62 H new ATOM 0 HB2 CYS B 52 0.176 -9.910 -3.523 1.00 0.66 H new ATOM 0 HB3 CYS B 52 1.726 -9.837 -2.708 1.00 0.66 H new ATOM 1772 N ALA B 53 -1.208 -8.381 -1.892 1.00 0.54 N ATOM 1773 CA ALA B 53 -1.655 -6.999 -1.724 1.00 0.52 C ATOM 1774 C ALA B 53 -2.439 -6.766 -0.431 1.00 0.51 C ATOM 1775 O ALA B 53 -2.270 -5.730 0.212 1.00 0.52 O ATOM 1776 CB ALA B 53 -2.470 -6.583 -2.933 1.00 0.53 C ATOM 0 H ALA B 53 -1.650 -8.870 -2.671 1.00 0.54 H new ATOM 0 HA ALA B 53 -0.763 -6.378 -1.644 1.00 0.52 H new ATOM 0 HB1 ALA B 53 -2.804 -5.553 -2.810 1.00 0.53 H new ATOM 0 HB2 ALA B 53 -1.856 -6.660 -3.830 1.00 0.53 H new ATOM 0 HB3 ALA B 53 -3.337 -7.237 -3.030 1.00 0.53 H new ATOM 1782 N GLN B 54 -3.284 -7.716 -0.039 1.00 0.52 N ATOM 1783 CA GLN B 54 -4.082 -7.561 1.176 1.00 0.53 C ATOM 1784 C GLN B 54 -3.215 -7.667 2.428 1.00 0.58 C ATOM 1785 O GLN B 54 -3.327 -6.836 3.328 1.00 0.65 O ATOM 1786 CB GLN B 54 -5.220 -8.580 1.230 1.00 0.54 C ATOM 1787 CG GLN B 54 -6.396 -8.228 0.332 1.00 0.48 C ATOM 1788 CD GLN B 54 -7.731 -8.621 0.933 1.00 0.76 C ATOM 1789 OE1 GLN B 54 -7.826 -9.577 1.698 1.00 1.49 O ATOM 1790 NE2 GLN B 54 -8.775 -7.881 0.587 1.00 0.64 N ATOM 0 H GLN B 54 -3.434 -8.593 -0.538 1.00 0.52 H new ATOM 0 HA GLN B 54 -4.520 -6.563 1.147 1.00 0.53 H new ATOM 0 HB2 GLN B 54 -4.834 -9.558 0.943 1.00 0.54 H new ATOM 0 HB3 GLN B 54 -5.572 -8.665 2.258 1.00 0.54 H new ATOM 0 HG2 GLN B 54 -6.391 -7.155 0.138 1.00 0.48 H new ATOM 0 HG3 GLN B 54 -6.275 -8.726 -0.630 1.00 0.48 H new ATOM 0 HE21 GLN B 54 -8.654 -7.095 -0.052 1.00 0.64 H new ATOM 0 HE22 GLN B 54 -9.700 -8.098 0.959 1.00 0.64 H new ATOM 1799 N GLN B 55 -2.348 -8.681 2.485 1.00 0.57 N ATOM 1800 CA GLN B 55 -1.460 -8.864 3.635 1.00 0.62 C ATOM 1801 C GLN B 55 -0.613 -7.606 3.814 1.00 0.60 C ATOM 1802 O GLN B 55 -0.325 -7.174 4.930 1.00 0.66 O ATOM 1803 CB GLN B 55 -0.563 -10.087 3.419 1.00 0.65 C ATOM 1804 CG GLN B 55 -0.110 -10.762 4.706 1.00 1.19 C ATOM 1805 CD GLN B 55 1.073 -10.069 5.350 1.00 1.78 C ATOM 1806 OE1 GLN B 55 1.912 -9.483 4.663 1.00 2.38 O ATOM 1807 NE2 GLN B 55 1.149 -10.123 6.671 1.00 2.52 N ATOM 0 H GLN B 55 -2.242 -9.384 1.753 1.00 0.57 H new ATOM 0 HA GLN B 55 -2.053 -9.031 4.534 1.00 0.62 H new ATOM 0 HB2 GLN B 55 -1.099 -10.814 2.810 1.00 0.65 H new ATOM 0 HB3 GLN B 55 0.317 -9.783 2.852 1.00 0.65 H new ATOM 0 HG2 GLN B 55 -0.941 -10.783 5.411 1.00 1.19 H new ATOM 0 HG3 GLN B 55 0.154 -11.798 4.494 1.00 1.19 H new ATOM 0 HE21 GLN B 55 0.434 -10.618 7.203 1.00 2.52 H new ATOM 0 HE22 GLN B 55 1.923 -9.669 7.156 1.00 2.52 H new ATOM 1816 N LEU B 56 -0.235 -7.036 2.678 1.00 0.54 N ATOM 1817 CA LEU B 56 0.554 -5.820 2.617 1.00 0.53 C ATOM 1818 C LEU B 56 -0.223 -4.637 3.158 1.00 0.55 C ATOM 1819 O LEU B 56 0.124 -4.086 4.196 1.00 0.58 O ATOM 1820 CB LEU B 56 0.916 -5.556 1.166 1.00 0.48 C ATOM 1821 CG LEU B 56 2.146 -4.701 0.951 1.00 0.46 C ATOM 1822 CD1 LEU B 56 3.291 -5.215 1.792 1.00 0.45 C ATOM 1823 CD2 LEU B 56 2.520 -4.699 -0.511 1.00 0.46 C ATOM 0 H LEU B 56 -0.473 -7.414 1.761 1.00 0.54 H new ATOM 0 HA LEU B 56 1.449 -5.947 3.226 1.00 0.53 H new ATOM 0 HB2 LEU B 56 1.067 -6.513 0.667 1.00 0.48 H new ATOM 0 HB3 LEU B 56 0.069 -5.073 0.679 1.00 0.48 H new ATOM 0 HG LEU B 56 1.928 -3.678 1.257 1.00 0.46 H new ATOM 0 HD11 LEU B 56 4.170 -4.592 1.629 1.00 0.45 H new ATOM 0 HD12 LEU B 56 3.013 -5.181 2.845 1.00 0.45 H new ATOM 0 HD13 LEU B 56 3.517 -6.243 1.509 1.00 0.45 H new ATOM 0 HD21 LEU B 56 3.406 -4.082 -0.659 1.00 0.46 H new ATOM 0 HD22 LEU B 56 2.730 -5.719 -0.834 1.00 0.46 H new ATOM 0 HD23 LEU B 56 1.695 -4.295 -1.097 1.00 0.46 H new ATOM 1835 N ALA B 57 -1.279 -4.274 2.437 1.00 0.56 N ATOM 1836 CA ALA B 57 -2.127 -3.139 2.785 1.00 0.59 C ATOM 1837 C ALA B 57 -2.617 -3.178 4.236 1.00 0.68 C ATOM 1838 O ALA B 57 -2.821 -2.131 4.853 1.00 1.02 O ATOM 1839 CB ALA B 57 -3.289 -3.061 1.810 1.00 0.55 C ATOM 0 H ALA B 57 -1.572 -4.761 1.590 1.00 0.56 H new ATOM 0 HA ALA B 57 -1.522 -2.236 2.705 1.00 0.59 H new ATOM 0 HB1 ALA B 57 -3.924 -2.214 2.068 1.00 0.55 H new ATOM 0 HB2 ALA B 57 -2.906 -2.933 0.797 1.00 0.55 H new ATOM 0 HB3 ALA B 57 -3.872 -3.981 1.864 1.00 0.55 H new