USER MOD reduce.3.24.130724 H: found=0, std=0, add=923, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 925 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 24 ASN : amide:sc= -4.03! K(o=-7.2!,f=-1.5) USER MOD Set 1.2: A 29 GLN : amide:sc= -3.18! K(o=-7.2!,f=-1.2) USER MOD Set 2.1: A 20 ASN : amide:sc= -3.57 K(o=-7,f=-3.3) USER MOD Set 2.2: A 32 GLN : amide:sc= -3.42! K(o=-7!,f=-3.3) USER MOD Single : A 3 ASN : amide:sc= 0.817 K(o=0.82,f=-0.077) USER MOD Single : A 5 LYS NZ :NH3+ -153:sc= 1.02 (180deg=0.521) USER MOD Single : A 12 GLN : amide:sc= -1.16! C(o=-1.2!,f=-5.8!) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00825) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 172:sc= 0.422 USER MOD Single : A 35 ASN : amide:sc= -3.66! K(o=-3.7!,f=-1.3) USER MOD Single : A 38 GLN : amide:sc= -6.83! K(o=-6.8!,f=-1.6) USER MOD Single : A 44 THR OG1 : rot -35:sc= 0.00114 USER MOD Single : A 45 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.171) USER MOD Single : A 55 MET CE :methyl -115:sc= -0.0524 (180deg=-1.59!) USER MOD Single : A 56 LYS NZ :NH3+ -159:sc= 1.74 (180deg=0.951) USER MOD Single : A 60 MET CE :methyl -164:sc= -0.0352 (180deg=-0.335) USER MOD Single : A 67 LYS NZ :NH3+ 169:sc= 1.14 (180deg=0.43) USER MOD Single : A 69 MET CE :methyl -132:sc= -0.0973 (180deg=-3.43!) USER MOD Single : A 70 LYS NZ :NH3+ 155:sc= -9.86! (180deg=-11.9!) USER MOD Single : A 75 ASN : amide:sc= 0.855 K(o=0.86,f=0) USER MOD Single : A 81 MET CE :methyl -144:sc= -0.0127 (180deg=-1.11) USER MOD Single : A 82 THR OG1 : rot 52:sc= -3.11! USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 MET CE :methyl 156:sc= -0.158 (180deg=-1.15) USER MOD Single : A 91 GLN : amide:sc= 0.176 X(o=0.18,f=0) USER MOD Single : A 93 SER OG : rot 78:sc= 1.26 USER MOD Single : A 94 LYS NZ :NH3+ 169:sc= 1.25 (180deg=0.918) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 HIS : no HD1:sc= -1.34 K(o=-1.3,f=-2.7!) USER MOD Single : A 116 LYS NZ :NH3+ -112:sc= 0.159 (180deg=-0.264) USER MOD Single : A 117 LYS NZ :NH3+ -107:sc= -1.14 (180deg=-3.46!) USER MOD Single : A 118 TYR OH : rot 30:sc= -1.56! USER MOD ----------------------------------------------------------------- ATOM 37 N ASN A 3 -10.520 7.228 10.448 1.00 0.60 N ATOM 38 CA ASN A 3 -10.078 5.838 10.326 1.00 0.58 C ATOM 39 C ASN A 3 -9.537 5.595 8.924 1.00 0.41 C ATOM 40 O ASN A 3 -9.420 4.460 8.453 1.00 0.47 O ATOM 41 CB ASN A 3 -11.194 4.846 10.686 1.00 0.73 C ATOM 42 CG ASN A 3 -11.485 4.806 12.181 1.00 1.80 C ATOM 43 OD1 ASN A 3 -11.837 3.759 12.728 1.00 2.57 O ATOM 44 ND2 ASN A 3 -11.346 5.944 12.856 1.00 2.06 N ATOM 0 HA ASN A 3 -9.276 5.666 11.044 1.00 0.58 H new ATOM 0 HB2 ASN A 3 -12.103 5.118 10.150 1.00 0.73 H new ATOM 0 HB3 ASN A 3 -10.911 3.849 10.348 1.00 0.73 H new ATOM 0 HD21 ASN A 3 -11.533 5.968 13.858 1.00 2.06 H new ATOM 0 HD22 ASN A 3 -11.053 6.792 12.371 1.00 2.06 H new ATOM 51 N GLU A 4 -9.171 6.694 8.290 1.00 0.28 N ATOM 52 CA GLU A 4 -8.504 6.682 7.005 1.00 0.20 C ATOM 53 C GLU A 4 -7.022 6.423 7.226 1.00 0.17 C ATOM 54 O GLU A 4 -6.375 7.192 7.913 1.00 0.20 O ATOM 55 CB GLU A 4 -8.708 8.029 6.275 1.00 0.24 C ATOM 56 CG GLU A 4 -9.006 9.258 7.161 1.00 0.39 C ATOM 57 CD GLU A 4 -8.073 9.448 8.342 1.00 0.99 C ATOM 58 OE1 GLU A 4 -6.956 9.978 8.143 1.00 1.70 O ATOM 59 OE2 GLU A 4 -8.431 9.037 9.462 1.00 1.26 O ATOM 0 H GLU A 4 -9.332 7.631 8.660 1.00 0.28 H new ATOM 0 HA GLU A 4 -8.928 5.894 6.383 1.00 0.20 H new ATOM 0 HB2 GLU A 4 -7.812 8.239 5.691 1.00 0.24 H new ATOM 0 HB3 GLU A 4 -9.529 7.912 5.568 1.00 0.24 H new ATOM 0 HG2 GLU A 4 -8.965 10.152 6.539 1.00 0.39 H new ATOM 0 HG3 GLU A 4 -10.027 9.177 7.535 1.00 0.39 H new ATOM 66 N LYS A 5 -6.478 5.322 6.698 1.00 0.17 N ATOM 67 CA LYS A 5 -5.084 4.972 6.996 1.00 0.18 C ATOM 68 C LYS A 5 -4.364 4.250 5.845 1.00 0.17 C ATOM 69 O LYS A 5 -4.889 3.295 5.284 1.00 0.18 O ATOM 70 CB LYS A 5 -5.028 4.119 8.270 1.00 0.26 C ATOM 71 CG LYS A 5 -5.572 4.832 9.506 1.00 0.79 C ATOM 72 CD LYS A 5 -5.412 4.021 10.774 1.00 0.87 C ATOM 73 CE LYS A 5 -6.290 2.779 10.760 1.00 1.27 C ATOM 74 NZ LYS A 5 -6.224 2.041 12.049 1.00 1.93 N ATOM 0 H LYS A 5 -6.964 4.673 6.079 1.00 0.17 H new ATOM 0 HA LYS A 5 -4.552 5.912 7.141 1.00 0.18 H new ATOM 0 HB2 LYS A 5 -5.596 3.203 8.109 1.00 0.26 H new ATOM 0 HB3 LYS A 5 -3.995 3.825 8.455 1.00 0.26 H new ATOM 0 HG2 LYS A 5 -5.058 5.786 9.624 1.00 0.79 H new ATOM 0 HG3 LYS A 5 -6.628 5.055 9.355 1.00 0.79 H new ATOM 0 HD2 LYS A 5 -4.368 3.728 10.890 1.00 0.87 H new ATOM 0 HD3 LYS A 5 -5.667 4.638 11.636 1.00 0.87 H new ATOM 0 HE2 LYS A 5 -7.322 3.066 10.558 1.00 1.27 H new ATOM 0 HE3 LYS A 5 -5.977 2.122 9.949 1.00 1.27 H new ATOM 0 HZ1 LYS A 5 -6.426 1.034 11.883 1.00 1.93 H new ATOM 0 HZ2 LYS A 5 -5.273 2.141 12.458 1.00 1.93 H new ATOM 0 HZ3 LYS A 5 -6.927 2.431 12.709 1.00 1.93 H new ATOM 88 N ILE A 6 -3.139 4.705 5.528 1.00 0.16 N ATOM 89 CA ILE A 6 -2.267 4.044 4.537 1.00 0.15 C ATOM 90 C ILE A 6 -0.797 4.156 4.972 1.00 0.15 C ATOM 91 O ILE A 6 -0.381 5.183 5.467 1.00 0.20 O ATOM 92 CB ILE A 6 -2.368 4.680 3.128 1.00 0.17 C ATOM 93 CG1 ILE A 6 -3.793 4.633 2.588 1.00 0.18 C ATOM 94 CG2 ILE A 6 -1.423 3.968 2.167 1.00 0.18 C ATOM 95 CD1 ILE A 6 -3.941 5.286 1.230 1.00 0.19 C ATOM 0 H ILE A 6 -2.726 5.537 5.949 1.00 0.16 H new ATOM 0 HA ILE A 6 -2.601 3.008 4.487 1.00 0.15 H new ATOM 0 HB ILE A 6 -2.080 5.728 3.215 1.00 0.17 H new ATOM 0 HG12 ILE A 6 -4.114 3.594 2.521 1.00 0.18 H new ATOM 0 HG13 ILE A 6 -4.459 5.127 3.296 1.00 0.18 H new ATOM 0 HG21 ILE A 6 -1.500 4.421 1.179 1.00 0.18 H new ATOM 0 HG22 ILE A 6 -0.399 4.059 2.529 1.00 0.18 H new ATOM 0 HG23 ILE A 6 -1.693 2.914 2.105 1.00 0.18 H new ATOM 0 HD11 ILE A 6 -4.979 5.217 0.904 1.00 0.19 H new ATOM 0 HD12 ILE A 6 -3.650 6.334 1.297 1.00 0.19 H new ATOM 0 HD13 ILE A 6 -3.301 4.777 0.510 1.00 0.19 H new ATOM 107 N LEU A 7 0.001 3.125 4.778 1.00 0.14 N ATOM 108 CA LEU A 7 1.420 3.220 5.120 1.00 0.16 C ATOM 109 C LEU A 7 2.271 3.210 3.858 1.00 0.25 C ATOM 110 O LEU A 7 2.185 2.285 3.076 1.00 0.59 O ATOM 111 CB LEU A 7 1.848 2.062 6.021 1.00 0.23 C ATOM 112 CG LEU A 7 2.736 2.444 7.215 1.00 0.27 C ATOM 113 CD1 LEU A 7 3.567 1.259 7.655 1.00 0.69 C ATOM 114 CD2 LEU A 7 3.643 3.619 6.888 1.00 0.47 C ATOM 0 H LEU A 7 -0.293 2.227 4.394 1.00 0.14 H new ATOM 0 HA LEU A 7 1.568 4.158 5.655 1.00 0.16 H new ATOM 0 HB2 LEU A 7 0.952 1.570 6.400 1.00 0.23 H new ATOM 0 HB3 LEU A 7 2.381 1.330 5.414 1.00 0.23 H new ATOM 0 HG LEU A 7 2.077 2.745 8.029 1.00 0.27 H new ATOM 0 HD11 LEU A 7 4.191 1.546 8.502 1.00 0.69 H new ATOM 0 HD12 LEU A 7 2.908 0.442 7.950 1.00 0.69 H new ATOM 0 HD13 LEU A 7 4.202 0.934 6.831 1.00 0.69 H new ATOM 0 HD21 LEU A 7 4.255 3.859 7.757 1.00 0.47 H new ATOM 0 HD22 LEU A 7 4.289 3.358 6.050 1.00 0.47 H new ATOM 0 HD23 LEU A 7 3.036 4.484 6.622 1.00 0.47 H new ATOM 126 N ILE A 8 3.091 4.234 3.661 1.00 0.19 N ATOM 127 CA ILE A 8 3.956 4.296 2.480 1.00 0.19 C ATOM 128 C ILE A 8 5.390 3.925 2.848 1.00 0.19 C ATOM 129 O ILE A 8 6.067 4.652 3.573 1.00 0.24 O ATOM 130 CB ILE A 8 3.950 5.697 1.812 1.00 0.22 C ATOM 131 CG1 ILE A 8 2.576 6.017 1.221 1.00 0.23 C ATOM 132 CG2 ILE A 8 5.014 5.778 0.725 1.00 0.28 C ATOM 133 CD1 ILE A 8 1.532 6.391 2.245 1.00 0.20 C ATOM 0 H ILE A 8 3.179 5.028 4.295 1.00 0.19 H new ATOM 0 HA ILE A 8 3.555 3.579 1.764 1.00 0.19 H new ATOM 0 HB ILE A 8 4.176 6.434 2.583 1.00 0.22 H new ATOM 0 HG12 ILE A 8 2.681 6.837 0.510 1.00 0.23 H new ATOM 0 HG13 ILE A 8 2.224 5.151 0.660 1.00 0.23 H new ATOM 0 HG21 ILE A 8 4.994 6.768 0.269 1.00 0.28 H new ATOM 0 HG22 ILE A 8 5.996 5.601 1.163 1.00 0.28 H new ATOM 0 HG23 ILE A 8 4.815 5.024 -0.036 1.00 0.28 H new ATOM 0 HD11 ILE A 8 0.588 6.602 1.742 1.00 0.20 H new ATOM 0 HD12 ILE A 8 1.394 5.565 2.943 1.00 0.20 H new ATOM 0 HD13 ILE A 8 1.858 7.276 2.791 1.00 0.20 H new ATOM 145 N VAL A 9 5.839 2.791 2.343 1.00 0.19 N ATOM 146 CA VAL A 9 7.174 2.288 2.620 1.00 0.19 C ATOM 147 C VAL A 9 8.035 2.397 1.376 1.00 0.19 C ATOM 148 O VAL A 9 7.864 1.612 0.443 1.00 0.22 O ATOM 149 CB VAL A 9 7.117 0.809 3.051 1.00 0.20 C ATOM 150 CG1 VAL A 9 8.452 0.351 3.622 1.00 0.23 C ATOM 151 CG2 VAL A 9 5.984 0.591 4.040 1.00 0.21 C ATOM 0 H VAL A 9 5.289 2.191 1.728 1.00 0.19 H new ATOM 0 HA VAL A 9 7.602 2.885 3.426 1.00 0.19 H new ATOM 0 HB VAL A 9 6.918 0.200 2.169 1.00 0.20 H new ATOM 0 HG11 VAL A 9 8.381 -0.696 3.917 1.00 0.23 H new ATOM 0 HG12 VAL A 9 9.229 0.463 2.866 1.00 0.23 H new ATOM 0 HG13 VAL A 9 8.703 0.957 4.492 1.00 0.23 H new ATOM 0 HG21 VAL A 9 5.956 -0.458 4.336 1.00 0.21 H new ATOM 0 HG22 VAL A 9 6.146 1.212 4.921 1.00 0.21 H new ATOM 0 HG23 VAL A 9 5.037 0.862 3.574 1.00 0.21 H new ATOM 161 N ASP A 10 8.969 3.345 1.375 1.00 0.21 N ATOM 162 CA ASP A 10 9.781 3.622 0.175 1.00 0.30 C ATOM 163 C ASP A 10 10.700 4.804 0.428 1.00 0.42 C ATOM 164 O ASP A 10 10.245 5.875 0.824 1.00 0.83 O ATOM 165 CB ASP A 10 8.890 3.928 -1.041 1.00 0.45 C ATOM 166 CG ASP A 10 9.649 3.949 -2.363 1.00 1.13 C ATOM 167 OD1 ASP A 10 10.845 4.296 -2.380 1.00 1.63 O ATOM 168 OD2 ASP A 10 9.046 3.615 -3.403 1.00 1.84 O ATOM 0 H ASP A 10 9.187 3.933 2.179 1.00 0.21 H new ATOM 0 HA ASP A 10 10.372 2.732 -0.039 1.00 0.30 H new ATOM 0 HB2 ASP A 10 8.098 3.181 -1.098 1.00 0.45 H new ATOM 0 HB3 ASP A 10 8.407 4.894 -0.893 1.00 0.45 H new ATOM 173 N ASP A 11 11.990 4.620 0.206 1.00 0.29 N ATOM 174 CA ASP A 11 12.952 5.677 0.451 1.00 0.36 C ATOM 175 C ASP A 11 12.976 6.685 -0.689 1.00 0.38 C ATOM 176 O ASP A 11 13.872 6.684 -1.536 1.00 0.73 O ATOM 177 CB ASP A 11 14.344 5.107 0.676 1.00 0.48 C ATOM 178 CG ASP A 11 15.287 6.128 1.275 1.00 0.63 C ATOM 179 OD1 ASP A 11 15.000 6.640 2.378 1.00 0.77 O ATOM 180 OD2 ASP A 11 16.316 6.433 0.633 1.00 0.74 O ATOM 0 H ASP A 11 12.393 3.750 -0.143 1.00 0.29 H new ATOM 0 HA ASP A 11 12.637 6.196 1.356 1.00 0.36 H new ATOM 0 HB2 ASP A 11 14.279 4.243 1.337 1.00 0.48 H new ATOM 0 HB3 ASP A 11 14.748 4.753 -0.273 1.00 0.48 H new ATOM 185 N GLN A 12 11.948 7.513 -0.726 1.00 0.56 N ATOM 186 CA GLN A 12 11.912 8.651 -1.619 1.00 0.60 C ATOM 187 C GLN A 12 12.023 9.916 -0.784 1.00 0.54 C ATOM 188 O GLN A 12 11.258 10.097 0.168 1.00 0.66 O ATOM 189 CB GLN A 12 10.634 8.640 -2.463 1.00 0.83 C ATOM 190 CG GLN A 12 10.489 7.371 -3.297 1.00 1.01 C ATOM 191 CD GLN A 12 9.284 7.383 -4.218 1.00 1.87 C ATOM 192 OE1 GLN A 12 8.857 8.431 -4.690 1.00 2.56 O ATOM 193 NE2 GLN A 12 8.729 6.213 -4.482 1.00 2.51 N ATOM 0 H GLN A 12 11.119 7.414 -0.140 1.00 0.56 H new ATOM 0 HA GLN A 12 12.748 8.607 -2.317 1.00 0.60 H new ATOM 0 HB2 GLN A 12 9.769 8.739 -1.807 1.00 0.83 H new ATOM 0 HB3 GLN A 12 10.633 9.506 -3.124 1.00 0.83 H new ATOM 0 HG2 GLN A 12 11.391 7.234 -3.894 1.00 1.01 H new ATOM 0 HG3 GLN A 12 10.416 6.513 -2.628 1.00 1.01 H new ATOM 0 HE21 GLN A 12 9.113 5.362 -4.071 1.00 2.51 H new ATOM 0 HE22 GLN A 12 7.917 6.161 -5.097 1.00 2.51 H new ATOM 202 N TYR A 13 12.956 10.786 -1.172 1.00 0.55 N ATOM 203 CA TYR A 13 13.474 11.853 -0.314 1.00 0.60 C ATOM 204 C TYR A 13 12.384 12.603 0.448 1.00 0.51 C ATOM 205 O TYR A 13 12.499 12.811 1.655 1.00 0.61 O ATOM 206 CB TYR A 13 14.279 12.834 -1.161 1.00 0.75 C ATOM 207 CG TYR A 13 15.065 13.825 -0.340 1.00 1.43 C ATOM 208 CD1 TYR A 13 16.218 13.443 0.333 1.00 1.81 C ATOM 209 CD2 TYR A 13 14.656 15.148 -0.245 1.00 2.25 C ATOM 210 CE1 TYR A 13 16.941 14.354 1.076 1.00 2.61 C ATOM 211 CE2 TYR A 13 15.373 16.062 0.495 1.00 3.15 C ATOM 212 CZ TYR A 13 16.511 15.639 1.184 1.00 3.23 C ATOM 213 OH TYR A 13 17.228 16.572 1.898 1.00 4.16 O ATOM 0 H TYR A 13 13.378 10.770 -2.100 1.00 0.55 H new ATOM 0 HA TYR A 13 14.106 11.379 0.437 1.00 0.60 H new ATOM 0 HB2 TYR A 13 14.965 12.276 -1.798 1.00 0.75 H new ATOM 0 HB3 TYR A 13 13.601 13.376 -1.820 1.00 0.75 H new ATOM 0 HD1 TYR A 13 16.554 12.418 0.274 1.00 1.81 H new ATOM 0 HD2 TYR A 13 13.761 15.466 -0.760 1.00 2.25 H new ATOM 0 HE1 TYR A 13 17.849 14.046 1.572 1.00 2.61 H new ATOM 0 HE2 TYR A 13 15.058 17.094 0.542 1.00 3.15 H new ATOM 0 HH TYR A 13 16.767 17.436 1.863 1.00 4.16 H new ATOM 223 N GLY A 14 11.333 13.004 -0.245 1.00 0.43 N ATOM 224 CA GLY A 14 10.246 13.686 0.422 1.00 0.39 C ATOM 225 C GLY A 14 8.906 13.331 -0.164 1.00 0.37 C ATOM 226 O GLY A 14 7.903 13.974 0.118 1.00 0.45 O ATOM 0 H GLY A 14 11.212 12.872 -1.249 1.00 0.43 H new ATOM 0 HA2 GLY A 14 10.256 13.432 1.482 1.00 0.39 H new ATOM 0 HA3 GLY A 14 10.398 14.763 0.351 1.00 0.39 H new ATOM 230 N ILE A 15 8.879 12.286 -0.964 1.00 0.37 N ATOM 231 CA ILE A 15 7.642 11.843 -1.572 1.00 0.38 C ATOM 232 C ILE A 15 6.886 10.966 -0.587 1.00 0.30 C ATOM 233 O ILE A 15 5.655 10.977 -0.523 1.00 0.31 O ATOM 234 CB ILE A 15 7.919 11.094 -2.890 1.00 0.50 C ATOM 235 CG1 ILE A 15 8.734 12.007 -3.818 1.00 0.63 C ATOM 236 CG2 ILE A 15 6.617 10.661 -3.552 1.00 0.56 C ATOM 237 CD1 ILE A 15 9.109 11.382 -5.140 1.00 0.95 C ATOM 0 H ILE A 15 9.697 11.728 -1.208 1.00 0.37 H new ATOM 0 HA ILE A 15 7.027 12.710 -1.815 1.00 0.38 H new ATOM 0 HB ILE A 15 8.491 10.190 -2.682 1.00 0.50 H new ATOM 0 HG12 ILE A 15 8.161 12.914 -4.009 1.00 0.63 H new ATOM 0 HG13 ILE A 15 9.645 12.308 -3.302 1.00 0.63 H new ATOM 0 HG21 ILE A 15 6.838 10.134 -4.480 1.00 0.56 H new ATOM 0 HG22 ILE A 15 6.070 9.999 -2.881 1.00 0.56 H new ATOM 0 HG23 ILE A 15 6.010 11.540 -3.769 1.00 0.56 H new ATOM 0 HD11 ILE A 15 9.682 12.097 -5.731 1.00 0.95 H new ATOM 0 HD12 ILE A 15 9.712 10.491 -4.963 1.00 0.95 H new ATOM 0 HD13 ILE A 15 8.204 11.106 -5.682 1.00 0.95 H new ATOM 249 N ARG A 16 7.656 10.258 0.225 1.00 0.30 N ATOM 250 CA ARG A 16 7.110 9.416 1.277 1.00 0.35 C ATOM 251 C ARG A 16 6.385 10.278 2.317 1.00 0.33 C ATOM 252 O ARG A 16 5.455 9.820 2.980 1.00 0.43 O ATOM 253 CB ARG A 16 8.247 8.627 1.927 1.00 0.49 C ATOM 254 CG ARG A 16 7.785 7.425 2.725 1.00 0.58 C ATOM 255 CD ARG A 16 8.969 6.632 3.262 1.00 0.82 C ATOM 256 NE ARG A 16 9.859 7.467 4.072 1.00 1.64 N ATOM 257 CZ ARG A 16 11.193 7.417 4.034 1.00 2.17 C ATOM 258 NH1 ARG A 16 11.817 6.577 3.216 1.00 2.49 N ATOM 259 NH2 ARG A 16 11.896 8.228 4.809 1.00 2.91 N ATOM 0 H ARG A 16 8.675 10.251 0.173 1.00 0.30 H new ATOM 0 HA ARG A 16 6.388 8.718 0.853 1.00 0.35 H new ATOM 0 HB2 ARG A 16 8.934 8.292 1.150 1.00 0.49 H new ATOM 0 HB3 ARG A 16 8.808 9.292 2.583 1.00 0.49 H new ATOM 0 HG2 ARG A 16 7.159 7.755 3.554 1.00 0.58 H new ATOM 0 HG3 ARG A 16 7.169 6.783 2.096 1.00 0.58 H new ATOM 0 HD2 ARG A 16 8.606 5.798 3.863 1.00 0.82 H new ATOM 0 HD3 ARG A 16 9.528 6.205 2.430 1.00 0.82 H new ATOM 0 HE ARG A 16 9.429 8.135 4.711 1.00 1.64 H new ATOM 0 HH11 ARG A 16 11.277 5.961 2.608 1.00 2.49 H new ATOM 0 HH12 ARG A 16 12.836 6.548 3.196 1.00 2.49 H new ATOM 0 HH21 ARG A 16 11.418 8.883 5.428 1.00 2.91 H new ATOM 0 HH22 ARG A 16 12.915 8.198 4.787 1.00 2.91 H new ATOM 273 N ILE A 17 6.817 11.533 2.446 1.00 0.27 N ATOM 274 CA ILE A 17 6.204 12.463 3.390 1.00 0.29 C ATOM 275 C ILE A 17 5.201 13.390 2.691 1.00 0.32 C ATOM 276 O ILE A 17 4.208 13.808 3.288 1.00 0.34 O ATOM 277 CB ILE A 17 7.273 13.295 4.141 1.00 0.32 C ATOM 278 CG1 ILE A 17 6.631 14.243 5.161 1.00 0.40 C ATOM 279 CG2 ILE A 17 8.138 14.077 3.169 1.00 0.39 C ATOM 280 CD1 ILE A 17 5.898 13.536 6.280 1.00 0.68 C ATOM 0 H ILE A 17 7.589 11.927 1.908 1.00 0.27 H new ATOM 0 HA ILE A 17 5.663 11.864 4.123 1.00 0.29 H new ATOM 0 HB ILE A 17 7.907 12.593 4.682 1.00 0.32 H new ATOM 0 HG12 ILE A 17 7.407 14.877 5.592 1.00 0.40 H new ATOM 0 HG13 ILE A 17 5.934 14.901 4.642 1.00 0.40 H new ATOM 0 HG21 ILE A 17 8.880 14.652 3.723 1.00 0.39 H new ATOM 0 HG22 ILE A 17 8.644 13.386 2.495 1.00 0.39 H new ATOM 0 HG23 ILE A 17 7.512 14.756 2.590 1.00 0.39 H new ATOM 0 HD11 ILE A 17 5.472 14.274 6.959 1.00 0.68 H new ATOM 0 HD12 ILE A 17 5.099 12.924 5.862 1.00 0.68 H new ATOM 0 HD13 ILE A 17 6.594 12.900 6.826 1.00 0.68 H new ATOM 292 N LEU A 18 5.443 13.711 1.425 1.00 0.34 N ATOM 293 CA LEU A 18 4.499 14.556 0.695 1.00 0.43 C ATOM 294 C LEU A 18 3.158 13.843 0.566 1.00 0.33 C ATOM 295 O LEU A 18 2.110 14.479 0.610 1.00 0.32 O ATOM 296 CB LEU A 18 5.043 15.019 -0.680 1.00 0.63 C ATOM 297 CG LEU A 18 5.106 13.991 -1.822 1.00 0.76 C ATOM 298 CD1 LEU A 18 3.742 13.774 -2.466 1.00 1.49 C ATOM 299 CD2 LEU A 18 6.103 14.451 -2.873 1.00 1.34 C ATOM 0 H LEU A 18 6.260 13.410 0.893 1.00 0.34 H new ATOM 0 HA LEU A 18 4.356 15.469 1.273 1.00 0.43 H new ATOM 0 HB2 LEU A 18 4.428 15.853 -1.017 1.00 0.63 H new ATOM 0 HB3 LEU A 18 6.050 15.407 -0.526 1.00 0.63 H new ATOM 0 HG LEU A 18 5.427 13.041 -1.396 1.00 0.76 H new ATOM 0 HD11 LEU A 18 3.831 13.041 -3.268 1.00 1.49 H new ATOM 0 HD12 LEU A 18 3.040 13.409 -1.717 1.00 1.49 H new ATOM 0 HD13 LEU A 18 3.379 14.717 -2.875 1.00 1.49 H new ATOM 0 HD21 LEU A 18 6.144 13.720 -3.680 1.00 1.34 H new ATOM 0 HD22 LEU A 18 5.791 15.416 -3.273 1.00 1.34 H new ATOM 0 HD23 LEU A 18 7.090 14.548 -2.421 1.00 1.34 H new ATOM 311 N LEU A 19 3.193 12.512 0.451 1.00 0.31 N ATOM 312 CA LEU A 19 1.967 11.717 0.439 1.00 0.29 C ATOM 313 C LEU A 19 1.205 11.897 1.747 1.00 0.20 C ATOM 314 O LEU A 19 -0.012 11.713 1.795 1.00 0.17 O ATOM 315 CB LEU A 19 2.279 10.238 0.209 1.00 0.37 C ATOM 316 CG LEU A 19 2.762 9.891 -1.203 1.00 0.55 C ATOM 317 CD1 LEU A 19 3.185 8.434 -1.280 1.00 1.32 C ATOM 318 CD2 LEU A 19 1.670 10.176 -2.226 1.00 1.07 C ATOM 0 H LEU A 19 4.052 11.968 0.366 1.00 0.31 H new ATOM 0 HA LEU A 19 1.343 12.068 -0.383 1.00 0.29 H new ATOM 0 HB2 LEU A 19 3.041 9.927 0.924 1.00 0.37 H new ATOM 0 HB3 LEU A 19 1.383 9.655 0.424 1.00 0.37 H new ATOM 0 HG LEU A 19 3.625 10.516 -1.431 1.00 0.55 H new ATOM 0 HD11 LEU A 19 3.525 8.207 -2.290 1.00 1.32 H new ATOM 0 HD12 LEU A 19 3.996 8.253 -0.575 1.00 1.32 H new ATOM 0 HD13 LEU A 19 2.338 7.795 -1.030 1.00 1.32 H new ATOM 0 HD21 LEU A 19 2.031 9.924 -3.223 1.00 1.07 H new ATOM 0 HD22 LEU A 19 0.790 9.575 -1.996 1.00 1.07 H new ATOM 0 HD23 LEU A 19 1.407 11.233 -2.192 1.00 1.07 H new ATOM 330 N ASN A 20 1.927 12.270 2.803 1.00 0.20 N ATOM 331 CA ASN A 20 1.301 12.604 4.081 1.00 0.18 C ATOM 332 C ASN A 20 0.525 13.888 3.915 1.00 0.19 C ATOM 333 O ASN A 20 -0.675 13.946 4.164 1.00 0.20 O ATOM 334 CB ASN A 20 2.329 12.816 5.199 1.00 0.22 C ATOM 335 CG ASN A 20 2.913 11.537 5.738 1.00 0.21 C ATOM 336 OD1 ASN A 20 3.126 11.414 6.940 1.00 0.28 O ATOM 337 ND2 ASN A 20 3.218 10.590 4.863 1.00 0.18 N ATOM 0 H ASN A 20 2.944 12.348 2.799 1.00 0.20 H new ATOM 0 HA ASN A 20 0.659 11.769 4.361 1.00 0.18 H new ATOM 0 HB2 ASN A 20 3.137 13.443 4.823 1.00 0.22 H new ATOM 0 HB3 ASN A 20 1.856 13.361 6.016 1.00 0.22 H new ATOM 0 HD21 ASN A 20 3.646 9.720 5.181 1.00 0.18 H new ATOM 0 HD22 ASN A 20 3.025 10.731 3.871 1.00 0.18 H new ATOM 344 N GLU A 21 1.231 14.910 3.457 1.00 0.25 N ATOM 345 CA GLU A 21 0.643 16.229 3.260 1.00 0.30 C ATOM 346 C GLU A 21 -0.593 16.154 2.363 1.00 0.28 C ATOM 347 O GLU A 21 -1.509 16.966 2.483 1.00 0.34 O ATOM 348 CB GLU A 21 1.682 17.182 2.668 1.00 0.38 C ATOM 349 CG GLU A 21 2.936 17.296 3.520 1.00 0.58 C ATOM 350 CD GLU A 21 3.912 18.327 2.998 1.00 1.35 C ATOM 351 OE1 GLU A 21 3.637 19.538 3.148 1.00 1.93 O ATOM 352 OE2 GLU A 21 4.957 17.941 2.435 1.00 2.02 O ATOM 0 H GLU A 21 2.220 14.852 3.213 1.00 0.25 H new ATOM 0 HA GLU A 21 0.325 16.612 4.230 1.00 0.30 H new ATOM 0 HB2 GLU A 21 1.957 16.838 1.671 1.00 0.38 H new ATOM 0 HB3 GLU A 21 1.237 18.170 2.552 1.00 0.38 H new ATOM 0 HG2 GLU A 21 2.653 17.555 4.540 1.00 0.58 H new ATOM 0 HG3 GLU A 21 3.429 16.325 3.563 1.00 0.58 H new ATOM 359 N VAL A 22 -0.605 15.183 1.457 1.00 0.28 N ATOM 360 CA VAL A 22 -1.756 14.954 0.593 1.00 0.32 C ATOM 361 C VAL A 22 -2.917 14.309 1.360 1.00 0.31 C ATOM 362 O VAL A 22 -3.988 14.902 1.503 1.00 0.47 O ATOM 363 CB VAL A 22 -1.402 14.046 -0.608 1.00 0.43 C ATOM 364 CG1 VAL A 22 -2.579 13.930 -1.565 1.00 0.78 C ATOM 365 CG2 VAL A 22 -0.172 14.553 -1.340 1.00 0.63 C ATOM 0 H VAL A 22 0.172 14.540 1.302 1.00 0.28 H new ATOM 0 HA VAL A 22 -2.058 15.936 0.228 1.00 0.32 H new ATOM 0 HB VAL A 22 -1.176 13.055 -0.215 1.00 0.43 H new ATOM 0 HG11 VAL A 22 -2.306 13.287 -2.401 1.00 0.78 H new ATOM 0 HG12 VAL A 22 -3.433 13.501 -1.041 1.00 0.78 H new ATOM 0 HG13 VAL A 22 -2.843 14.919 -1.939 1.00 0.78 H new ATOM 0 HG21 VAL A 22 0.050 13.893 -2.178 1.00 0.63 H new ATOM 0 HG22 VAL A 22 -0.359 15.561 -1.711 1.00 0.63 H new ATOM 0 HG23 VAL A 22 0.677 14.570 -0.657 1.00 0.63 H new ATOM 375 N PHE A 23 -2.692 13.098 1.866 1.00 0.22 N ATOM 376 CA PHE A 23 -3.783 12.272 2.380 1.00 0.20 C ATOM 377 C PHE A 23 -3.874 12.269 3.903 1.00 0.18 C ATOM 378 O PHE A 23 -4.964 12.309 4.445 1.00 0.20 O ATOM 379 CB PHE A 23 -3.627 10.828 1.900 1.00 0.24 C ATOM 380 CG PHE A 23 -3.914 10.611 0.443 1.00 0.27 C ATOM 381 CD1 PHE A 23 -5.214 10.475 -0.012 1.00 0.33 C ATOM 382 CD2 PHE A 23 -2.878 10.562 -0.473 1.00 0.42 C ATOM 383 CE1 PHE A 23 -5.476 10.298 -1.358 1.00 0.38 C ATOM 384 CE2 PHE A 23 -3.132 10.382 -1.819 1.00 0.46 C ATOM 385 CZ PHE A 23 -4.453 10.167 -2.245 1.00 0.38 C ATOM 0 H PHE A 23 -1.769 12.668 1.931 1.00 0.22 H new ATOM 0 HA PHE A 23 -4.701 12.715 1.993 1.00 0.20 H new ATOM 0 HB2 PHE A 23 -2.608 10.500 2.107 1.00 0.24 H new ATOM 0 HB3 PHE A 23 -4.292 10.192 2.485 1.00 0.24 H new ATOM 0 HD1 PHE A 23 -6.033 10.507 0.692 1.00 0.33 H new ATOM 0 HD2 PHE A 23 -1.859 10.666 -0.132 1.00 0.42 H new ATOM 0 HE1 PHE A 23 -6.498 10.264 -1.707 1.00 0.38 H new ATOM 0 HE2 PHE A 23 -2.324 10.406 -2.535 1.00 0.46 H new ATOM 0 HZ PHE A 23 -4.656 9.899 -3.271 1.00 0.38 H new ATOM 395 N ASN A 24 -2.738 12.225 4.574 1.00 0.17 N ATOM 396 CA ASN A 24 -2.658 11.970 6.020 1.00 0.20 C ATOM 397 C ASN A 24 -3.651 12.782 6.850 1.00 0.23 C ATOM 398 O ASN A 24 -4.124 12.314 7.889 1.00 0.28 O ATOM 399 CB ASN A 24 -1.234 12.258 6.477 1.00 0.20 C ATOM 400 CG ASN A 24 -0.869 11.574 7.773 1.00 0.18 C ATOM 401 OD1 ASN A 24 -0.997 12.140 8.857 1.00 0.19 O ATOM 402 ND2 ASN A 24 -0.386 10.350 7.656 1.00 0.19 N ATOM 0 H ASN A 24 -1.828 12.366 4.135 1.00 0.17 H new ATOM 0 HA ASN A 24 -2.927 10.926 6.183 1.00 0.20 H new ATOM 0 HB2 ASN A 24 -0.540 11.940 5.699 1.00 0.20 H new ATOM 0 HB3 ASN A 24 -1.109 13.334 6.595 1.00 0.20 H new ATOM 0 HD21 ASN A 24 -0.100 9.833 8.487 1.00 0.19 H new ATOM 0 HD22 ASN A 24 -0.299 9.922 6.734 1.00 0.19 H new ATOM 409 N LYS A 25 -3.959 13.989 6.420 1.00 0.25 N ATOM 410 CA LYS A 25 -4.903 14.822 7.149 1.00 0.32 C ATOM 411 C LYS A 25 -6.366 14.573 6.758 1.00 0.30 C ATOM 412 O LYS A 25 -7.262 14.694 7.598 1.00 0.38 O ATOM 413 CB LYS A 25 -4.527 16.294 6.984 1.00 0.45 C ATOM 414 CG LYS A 25 -4.516 16.770 5.541 1.00 0.51 C ATOM 415 CD LYS A 25 -3.406 17.782 5.299 1.00 1.10 C ATOM 416 CE LYS A 25 -3.525 18.991 6.219 1.00 1.44 C ATOM 417 NZ LYS A 25 -4.740 19.800 5.932 1.00 1.75 N ATOM 0 H LYS A 25 -3.575 14.415 5.577 1.00 0.25 H new ATOM 0 HA LYS A 25 -4.832 14.544 8.201 1.00 0.32 H new ATOM 0 HB2 LYS A 25 -5.230 16.904 7.552 1.00 0.45 H new ATOM 0 HB3 LYS A 25 -3.540 16.457 7.417 1.00 0.45 H new ATOM 0 HG2 LYS A 25 -4.384 15.917 4.876 1.00 0.51 H new ATOM 0 HG3 LYS A 25 -5.479 17.218 5.297 1.00 0.51 H new ATOM 0 HD2 LYS A 25 -2.439 17.303 5.453 1.00 1.10 H new ATOM 0 HD3 LYS A 25 -3.437 18.112 4.261 1.00 1.10 H new ATOM 0 HE2 LYS A 25 -3.551 18.655 7.256 1.00 1.44 H new ATOM 0 HE3 LYS A 25 -2.640 19.617 6.109 1.00 1.44 H new ATOM 0 HZ1 LYS A 25 -4.752 20.638 6.547 1.00 1.75 H new ATOM 0 HZ2 LYS A 25 -4.729 20.101 4.937 1.00 1.75 H new ATOM 0 HZ3 LYS A 25 -5.589 19.227 6.111 1.00 1.75 H new ATOM 431 N GLU A 26 -6.614 14.230 5.500 1.00 0.29 N ATOM 432 CA GLU A 26 -7.986 14.116 5.003 1.00 0.35 C ATOM 433 C GLU A 26 -8.233 12.810 4.242 1.00 0.33 C ATOM 434 O GLU A 26 -9.252 12.149 4.447 1.00 0.45 O ATOM 435 CB GLU A 26 -8.296 15.306 4.097 1.00 0.43 C ATOM 436 CG GLU A 26 -7.260 15.505 3.004 1.00 0.42 C ATOM 437 CD GLU A 26 -7.635 16.599 2.035 1.00 0.54 C ATOM 438 OE1 GLU A 26 -8.351 16.305 1.057 1.00 0.75 O ATOM 439 OE2 GLU A 26 -7.205 17.751 2.237 1.00 0.61 O ATOM 0 H GLU A 26 -5.893 14.027 4.808 1.00 0.29 H new ATOM 0 HA GLU A 26 -8.648 14.111 5.869 1.00 0.35 H new ATOM 0 HB2 GLU A 26 -9.275 15.163 3.640 1.00 0.43 H new ATOM 0 HB3 GLU A 26 -8.356 16.211 4.702 1.00 0.43 H new ATOM 0 HG2 GLU A 26 -6.299 15.743 3.460 1.00 0.42 H new ATOM 0 HG3 GLU A 26 -7.131 14.571 2.458 1.00 0.42 H new ATOM 446 N GLY A 27 -7.311 12.457 3.356 1.00 0.25 N ATOM 447 CA GLY A 27 -7.467 11.269 2.549 1.00 0.26 C ATOM 448 C GLY A 27 -7.295 10.004 3.359 1.00 0.20 C ATOM 449 O GLY A 27 -8.257 9.268 3.565 1.00 0.22 O ATOM 0 H GLY A 27 -6.452 12.979 3.183 1.00 0.25 H new ATOM 0 HA2 GLY A 27 -8.455 11.272 2.088 1.00 0.26 H new ATOM 0 HA3 GLY A 27 -6.737 11.283 1.740 1.00 0.26 H new ATOM 453 N TYR A 28 -6.068 9.760 3.819 1.00 0.22 N ATOM 454 CA TYR A 28 -5.751 8.583 4.622 1.00 0.17 C ATOM 455 C TYR A 28 -4.521 8.838 5.478 1.00 0.31 C ATOM 456 O TYR A 28 -3.723 9.690 5.162 1.00 0.84 O ATOM 457 CB TYR A 28 -5.472 7.351 3.761 1.00 0.19 C ATOM 458 CG TYR A 28 -6.591 6.948 2.818 1.00 0.26 C ATOM 459 CD1 TYR A 28 -7.643 6.151 3.260 1.00 0.36 C ATOM 460 CD2 TYR A 28 -6.600 7.369 1.493 1.00 0.32 C ATOM 461 CE1 TYR A 28 -8.667 5.784 2.409 1.00 0.47 C ATOM 462 CE2 TYR A 28 -7.624 7.005 0.636 1.00 0.42 C ATOM 463 CZ TYR A 28 -8.634 6.207 1.079 1.00 0.50 C ATOM 464 OH TYR A 28 -9.674 5.847 0.251 1.00 0.62 O ATOM 0 H TYR A 28 -5.270 10.371 3.645 1.00 0.22 H new ATOM 0 HA TYR A 28 -6.626 8.393 5.244 1.00 0.17 H new ATOM 0 HB2 TYR A 28 -4.573 7.536 3.173 1.00 0.19 H new ATOM 0 HB3 TYR A 28 -5.255 6.510 4.420 1.00 0.19 H new ATOM 0 HD1 TYR A 28 -7.659 5.814 4.286 1.00 0.36 H new ATOM 0 HD2 TYR A 28 -5.796 7.990 1.127 1.00 0.32 H new ATOM 0 HE1 TYR A 28 -9.484 5.176 2.769 1.00 0.47 H new ATOM 0 HE2 TYR A 28 -7.622 7.355 -0.386 1.00 0.42 H new ATOM 0 HH TYR A 28 -9.520 6.211 -0.646 1.00 0.62 H new ATOM 474 N GLN A 29 -4.364 8.028 6.509 1.00 0.20 N ATOM 475 CA GLN A 29 -3.253 8.092 7.471 1.00 0.15 C ATOM 476 C GLN A 29 -1.983 7.636 6.803 1.00 0.17 C ATOM 477 O GLN A 29 -1.356 6.682 7.245 1.00 0.34 O ATOM 478 CB GLN A 29 -3.526 7.147 8.641 1.00 0.19 C ATOM 479 CG GLN A 29 -2.916 7.551 9.980 1.00 0.28 C ATOM 480 CD GLN A 29 -1.883 8.646 9.877 1.00 0.74 C ATOM 481 OE1 GLN A 29 -2.201 9.828 9.979 1.00 1.50 O ATOM 482 NE2 GLN A 29 -0.634 8.262 9.688 1.00 0.53 N ATOM 0 H GLN A 29 -5.023 7.278 6.716 1.00 0.20 H new ATOM 0 HA GLN A 29 -3.157 9.119 7.825 1.00 0.15 H new ATOM 0 HB2 GLN A 29 -4.605 7.058 8.767 1.00 0.19 H new ATOM 0 HB3 GLN A 29 -3.153 6.157 8.378 1.00 0.19 H new ATOM 0 HG2 GLN A 29 -3.713 7.879 10.647 1.00 0.28 H new ATOM 0 HG3 GLN A 29 -2.458 6.675 10.438 1.00 0.28 H new ATOM 0 HE21 GLN A 29 -0.412 7.270 9.609 1.00 0.53 H new ATOM 0 HE22 GLN A 29 0.109 8.958 9.622 1.00 0.53 H new ATOM 491 N THR A 30 -1.618 8.312 5.750 1.00 0.12 N ATOM 492 CA THR A 30 -0.516 7.897 4.937 1.00 0.13 C ATOM 493 C THR A 30 0.775 8.240 5.630 1.00 0.13 C ATOM 494 O THR A 30 1.099 9.398 5.776 1.00 0.17 O ATOM 495 CB THR A 30 -0.580 8.568 3.564 1.00 0.14 C ATOM 496 OG1 THR A 30 -0.605 9.992 3.710 1.00 0.18 O ATOM 497 CG2 THR A 30 -1.818 8.133 2.811 1.00 0.16 C ATOM 0 H THR A 30 -2.078 9.166 5.433 1.00 0.12 H new ATOM 0 HA THR A 30 -0.568 6.818 4.789 1.00 0.13 H new ATOM 0 HB THR A 30 0.306 8.269 3.004 1.00 0.14 H new ATOM 0 HG1 THR A 30 -0.519 10.413 2.829 1.00 0.18 H new ATOM 0 HG21 THR A 30 -1.843 8.623 1.837 1.00 0.16 H new ATOM 0 HG22 THR A 30 -1.799 7.052 2.673 1.00 0.16 H new ATOM 0 HG23 THR A 30 -2.706 8.411 3.379 1.00 0.16 H new ATOM 505 N PHE A 31 1.497 7.244 6.087 1.00 0.13 N ATOM 506 CA PHE A 31 2.687 7.511 6.861 1.00 0.14 C ATOM 507 C PHE A 31 3.921 7.088 6.083 1.00 0.13 C ATOM 508 O PHE A 31 3.811 6.538 4.992 1.00 0.14 O ATOM 509 CB PHE A 31 2.627 6.799 8.211 1.00 0.17 C ATOM 510 CG PHE A 31 3.290 7.583 9.308 1.00 0.24 C ATOM 511 CD1 PHE A 31 2.677 8.710 9.831 1.00 0.37 C ATOM 512 CD2 PHE A 31 4.519 7.198 9.811 1.00 0.29 C ATOM 513 CE1 PHE A 31 3.284 9.443 10.833 1.00 0.45 C ATOM 514 CE2 PHE A 31 5.130 7.925 10.815 1.00 0.36 C ATOM 515 CZ PHE A 31 4.510 9.048 11.328 1.00 0.42 C ATOM 0 H PHE A 31 1.287 6.257 5.940 1.00 0.13 H new ATOM 0 HA PHE A 31 2.745 8.583 7.050 1.00 0.14 H new ATOM 0 HB2 PHE A 31 1.585 6.619 8.477 1.00 0.17 H new ATOM 0 HB3 PHE A 31 3.107 5.824 8.125 1.00 0.17 H new ATOM 0 HD1 PHE A 31 1.714 9.019 9.451 1.00 0.37 H new ATOM 0 HD2 PHE A 31 5.007 6.320 9.415 1.00 0.29 H new ATOM 0 HE1 PHE A 31 2.800 10.324 11.228 1.00 0.45 H new ATOM 0 HE2 PHE A 31 6.091 7.616 11.198 1.00 0.36 H new ATOM 0 HZ PHE A 31 4.984 9.616 12.115 1.00 0.42 H new ATOM 525 N GLN A 32 5.090 7.351 6.641 1.00 0.14 N ATOM 526 CA GLN A 32 6.342 7.079 5.959 1.00 0.16 C ATOM 527 C GLN A 32 7.058 5.911 6.621 1.00 0.17 C ATOM 528 O GLN A 32 7.175 5.854 7.845 1.00 0.20 O ATOM 529 CB GLN A 32 7.246 8.325 5.972 1.00 0.21 C ATOM 530 CG GLN A 32 7.431 8.936 7.352 1.00 0.76 C ATOM 531 CD GLN A 32 6.507 10.106 7.601 1.00 0.33 C ATOM 532 OE1 GLN A 32 6.821 11.007 8.375 1.00 0.51 O ATOM 533 NE2 GLN A 32 5.373 10.108 6.925 1.00 0.52 N ATOM 0 H GLN A 32 5.198 7.755 7.571 1.00 0.14 H new ATOM 0 HA GLN A 32 6.121 6.819 4.924 1.00 0.16 H new ATOM 0 HB2 GLN A 32 8.223 8.057 5.570 1.00 0.21 H new ATOM 0 HB3 GLN A 32 6.822 9.077 5.306 1.00 0.21 H new ATOM 0 HG2 GLN A 32 7.255 8.172 8.109 1.00 0.76 H new ATOM 0 HG3 GLN A 32 8.464 9.264 7.464 1.00 0.76 H new ATOM 0 HE21 GLN A 32 5.155 9.338 6.293 1.00 0.52 H new ATOM 0 HE22 GLN A 32 4.715 10.880 7.035 1.00 0.52 H new ATOM 542 N ALA A 33 7.493 4.958 5.814 1.00 0.18 N ATOM 543 CA ALA A 33 8.283 3.851 6.307 1.00 0.19 C ATOM 544 C ALA A 33 9.592 3.725 5.532 1.00 0.18 C ATOM 545 O ALA A 33 9.606 3.644 4.297 1.00 0.20 O ATOM 546 CB ALA A 33 7.488 2.554 6.261 1.00 0.20 C ATOM 0 H ALA A 33 7.309 4.932 4.811 1.00 0.18 H new ATOM 0 HA ALA A 33 8.533 4.052 7.349 1.00 0.19 H new ATOM 0 HB1 ALA A 33 8.103 1.737 6.637 1.00 0.20 H new ATOM 0 HB2 ALA A 33 6.597 2.651 6.881 1.00 0.20 H new ATOM 0 HB3 ALA A 33 7.194 2.344 5.233 1.00 0.20 H new ATOM 552 N ALA A 34 10.690 3.744 6.288 1.00 0.18 N ATOM 553 CA ALA A 34 12.030 3.623 5.736 1.00 0.20 C ATOM 554 C ALA A 34 12.502 2.174 5.764 1.00 0.17 C ATOM 555 O ALA A 34 13.475 1.814 5.110 1.00 0.21 O ATOM 556 CB ALA A 34 12.985 4.509 6.517 1.00 0.27 C ATOM 0 H ALA A 34 10.670 3.844 7.303 1.00 0.18 H new ATOM 0 HA ALA A 34 12.011 3.947 4.695 1.00 0.20 H new ATOM 0 HB1 ALA A 34 13.989 4.417 6.102 1.00 0.27 H new ATOM 0 HB2 ALA A 34 12.658 5.546 6.448 1.00 0.27 H new ATOM 0 HB3 ALA A 34 12.995 4.200 7.562 1.00 0.27 H new ATOM 562 N ASN A 35 11.832 1.348 6.557 1.00 0.16 N ATOM 563 CA ASN A 35 12.079 -0.092 6.540 1.00 0.20 C ATOM 564 C ASN A 35 10.762 -0.812 6.685 1.00 0.21 C ATOM 565 O ASN A 35 9.784 -0.229 7.154 1.00 0.18 O ATOM 566 CB ASN A 35 13.009 -0.561 7.676 1.00 0.25 C ATOM 567 CG ASN A 35 13.804 0.550 8.332 1.00 0.27 C ATOM 568 OD1 ASN A 35 14.854 0.949 7.839 1.00 0.39 O ATOM 569 ND2 ASN A 35 13.333 1.017 9.477 1.00 0.22 N ATOM 0 H ASN A 35 11.115 1.647 7.219 1.00 0.16 H new ATOM 0 HA ASN A 35 12.570 -0.320 5.594 1.00 0.20 H new ATOM 0 HB2 ASN A 35 12.410 -1.061 8.437 1.00 0.25 H new ATOM 0 HB3 ASN A 35 13.703 -1.302 7.279 1.00 0.25 H new ATOM 0 HD21 ASN A 35 13.848 1.737 9.985 1.00 0.22 H new ATOM 0 HD22 ASN A 35 12.455 0.657 9.852 1.00 0.22 H new ATOM 576 N GLY A 36 10.734 -2.074 6.293 1.00 0.29 N ATOM 577 CA GLY A 36 9.564 -2.886 6.536 1.00 0.33 C ATOM 578 C GLY A 36 9.292 -3.013 8.019 1.00 0.30 C ATOM 579 O GLY A 36 8.150 -3.088 8.449 1.00 0.30 O ATOM 0 H GLY A 36 11.498 -2.549 5.812 1.00 0.29 H new ATOM 0 HA2 GLY A 36 8.700 -2.443 6.041 1.00 0.33 H new ATOM 0 HA3 GLY A 36 9.707 -3.876 6.103 1.00 0.33 H new ATOM 583 N LEU A 37 10.356 -3.012 8.803 1.00 0.31 N ATOM 584 CA LEU A 37 10.252 -3.095 10.246 1.00 0.31 C ATOM 585 C LEU A 37 9.675 -1.802 10.799 1.00 0.24 C ATOM 586 O LEU A 37 8.928 -1.811 11.772 1.00 0.25 O ATOM 587 CB LEU A 37 11.627 -3.373 10.845 1.00 0.40 C ATOM 588 CG LEU A 37 12.222 -4.744 10.506 1.00 0.76 C ATOM 589 CD1 LEU A 37 13.582 -4.910 11.162 1.00 1.52 C ATOM 590 CD2 LEU A 37 11.280 -5.858 10.941 1.00 1.36 C ATOM 0 H LEU A 37 11.314 -2.954 8.456 1.00 0.31 H new ATOM 0 HA LEU A 37 9.583 -3.912 10.516 1.00 0.31 H new ATOM 0 HB2 LEU A 37 12.317 -2.601 10.504 1.00 0.40 H new ATOM 0 HB3 LEU A 37 11.558 -3.283 11.929 1.00 0.40 H new ATOM 0 HG LEU A 37 12.351 -4.806 9.425 1.00 0.76 H new ATOM 0 HD11 LEU A 37 13.990 -5.889 10.911 1.00 1.52 H new ATOM 0 HD12 LEU A 37 14.257 -4.133 10.803 1.00 1.52 H new ATOM 0 HD13 LEU A 37 13.477 -4.828 12.244 1.00 1.52 H new ATOM 0 HD21 LEU A 37 11.719 -6.824 10.692 1.00 1.36 H new ATOM 0 HD22 LEU A 37 11.119 -5.799 12.017 1.00 1.36 H new ATOM 0 HD23 LEU A 37 10.326 -5.750 10.425 1.00 1.36 H new ATOM 602 N GLN A 38 10.009 -0.690 10.153 1.00 0.20 N ATOM 603 CA GLN A 38 9.410 0.584 10.494 1.00 0.16 C ATOM 604 C GLN A 38 7.945 0.552 10.087 1.00 0.16 C ATOM 605 O GLN A 38 7.084 1.136 10.740 1.00 0.17 O ATOM 606 CB GLN A 38 10.151 1.718 9.779 1.00 0.15 C ATOM 607 CG GLN A 38 10.054 3.061 10.486 1.00 0.19 C ATOM 608 CD GLN A 38 8.978 3.987 9.949 1.00 0.23 C ATOM 609 OE1 GLN A 38 9.101 5.205 10.046 1.00 0.50 O ATOM 610 NE2 GLN A 38 7.937 3.428 9.356 1.00 0.17 N ATOM 0 H GLN A 38 10.689 -0.650 9.394 1.00 0.20 H new ATOM 0 HA GLN A 38 9.483 0.761 11.567 1.00 0.16 H new ATOM 0 HB2 GLN A 38 11.202 1.446 9.680 1.00 0.15 H new ATOM 0 HB3 GLN A 38 9.752 1.820 8.770 1.00 0.15 H new ATOM 0 HG2 GLN A 38 9.867 2.885 11.545 1.00 0.19 H new ATOM 0 HG3 GLN A 38 11.018 3.565 10.412 1.00 0.19 H new ATOM 0 HE21 GLN A 38 7.870 2.412 9.295 1.00 0.17 H new ATOM 0 HE22 GLN A 38 7.201 4.013 8.960 1.00 0.17 H new ATOM 619 N ALA A 39 7.674 -0.142 8.991 1.00 0.18 N ATOM 620 CA ALA A 39 6.313 -0.349 8.533 1.00 0.22 C ATOM 621 C ALA A 39 5.557 -1.217 9.525 1.00 0.27 C ATOM 622 O ALA A 39 4.362 -1.044 9.726 1.00 0.32 O ATOM 623 CB ALA A 39 6.304 -0.979 7.150 1.00 0.25 C ATOM 0 H ALA A 39 8.386 -0.573 8.401 1.00 0.18 H new ATOM 0 HA ALA A 39 5.814 0.618 8.466 1.00 0.22 H new ATOM 0 HB1 ALA A 39 5.274 -1.126 6.824 1.00 0.25 H new ATOM 0 HB2 ALA A 39 6.817 -0.322 6.447 1.00 0.25 H new ATOM 0 HB3 ALA A 39 6.815 -1.941 7.185 1.00 0.25 H new ATOM 629 N LEU A 40 6.271 -2.138 10.154 1.00 0.29 N ATOM 630 CA LEU A 40 5.694 -2.981 11.186 1.00 0.33 C ATOM 631 C LEU A 40 5.417 -2.143 12.420 1.00 0.29 C ATOM 632 O LEU A 40 4.399 -2.318 13.089 1.00 0.30 O ATOM 633 CB LEU A 40 6.639 -4.140 11.518 1.00 0.39 C ATOM 634 CG LEU A 40 6.179 -5.070 12.644 1.00 0.47 C ATOM 635 CD1 LEU A 40 4.906 -5.803 12.249 1.00 1.47 C ATOM 636 CD2 LEU A 40 7.277 -6.061 12.993 1.00 1.42 C ATOM 0 H LEU A 40 7.257 -2.320 9.965 1.00 0.29 H new ATOM 0 HA LEU A 40 4.757 -3.405 10.826 1.00 0.33 H new ATOM 0 HB2 LEU A 40 6.785 -4.735 10.617 1.00 0.39 H new ATOM 0 HB3 LEU A 40 7.611 -3.726 11.787 1.00 0.39 H new ATOM 0 HG LEU A 40 5.965 -4.464 13.525 1.00 0.47 H new ATOM 0 HD11 LEU A 40 4.596 -6.459 13.063 1.00 1.47 H new ATOM 0 HD12 LEU A 40 4.117 -5.079 12.046 1.00 1.47 H new ATOM 0 HD13 LEU A 40 5.091 -6.398 11.355 1.00 1.47 H new ATOM 0 HD21 LEU A 40 6.935 -6.715 13.795 1.00 1.42 H new ATOM 0 HD22 LEU A 40 7.520 -6.659 12.115 1.00 1.42 H new ATOM 0 HD23 LEU A 40 8.165 -5.520 13.320 1.00 1.42 H new ATOM 648 N ASP A 41 6.322 -1.211 12.691 1.00 0.27 N ATOM 649 CA ASP A 41 6.152 -0.273 13.787 1.00 0.27 C ATOM 650 C ASP A 41 4.857 0.489 13.592 1.00 0.26 C ATOM 651 O ASP A 41 3.993 0.481 14.451 1.00 0.32 O ATOM 652 CB ASP A 41 7.319 0.714 13.832 1.00 0.27 C ATOM 653 CG ASP A 41 7.472 1.402 15.173 1.00 0.55 C ATOM 654 OD1 ASP A 41 7.514 0.706 16.210 1.00 0.86 O ATOM 655 OD2 ASP A 41 7.564 2.647 15.194 1.00 1.31 O ATOM 0 H ASP A 41 7.185 -1.087 12.162 1.00 0.27 H new ATOM 0 HA ASP A 41 6.124 -0.826 14.726 1.00 0.27 H new ATOM 0 HB2 ASP A 41 8.242 0.185 13.596 1.00 0.27 H new ATOM 0 HB3 ASP A 41 7.177 1.469 13.059 1.00 0.27 H new ATOM 660 N ILE A 42 4.702 1.104 12.427 1.00 0.22 N ATOM 661 CA ILE A 42 3.498 1.874 12.145 1.00 0.23 C ATOM 662 C ILE A 42 2.285 0.969 12.028 1.00 0.24 C ATOM 663 O ILE A 42 1.196 1.327 12.460 1.00 0.26 O ATOM 664 CB ILE A 42 3.598 2.716 10.860 1.00 0.22 C ATOM 665 CG1 ILE A 42 4.811 3.661 10.910 1.00 0.20 C ATOM 666 CG2 ILE A 42 2.295 3.491 10.668 1.00 0.28 C ATOM 667 CD1 ILE A 42 4.815 4.587 12.107 1.00 0.22 C ATOM 0 H ILE A 42 5.386 1.086 11.670 1.00 0.22 H new ATOM 0 HA ILE A 42 3.389 2.554 12.990 1.00 0.23 H new ATOM 0 HB ILE A 42 3.747 2.055 10.006 1.00 0.22 H new ATOM 0 HG12 ILE A 42 5.724 3.065 10.920 1.00 0.20 H new ATOM 0 HG13 ILE A 42 4.831 4.260 9.999 1.00 0.20 H new ATOM 0 HG21 ILE A 42 2.358 4.090 9.760 1.00 0.28 H new ATOM 0 HG22 ILE A 42 1.464 2.791 10.584 1.00 0.28 H new ATOM 0 HG23 ILE A 42 2.132 4.146 11.524 1.00 0.28 H new ATOM 0 HD11 ILE A 42 5.700 5.222 12.073 1.00 0.22 H new ATOM 0 HD12 ILE A 42 3.921 5.210 12.088 1.00 0.22 H new ATOM 0 HD13 ILE A 42 4.827 3.997 13.023 1.00 0.22 H new ATOM 679 N VAL A 43 2.454 -0.209 11.458 1.00 0.25 N ATOM 680 CA VAL A 43 1.321 -1.090 11.276 1.00 0.29 C ATOM 681 C VAL A 43 0.825 -1.604 12.623 1.00 0.36 C ATOM 682 O VAL A 43 -0.307 -2.029 12.734 1.00 0.44 O ATOM 683 CB VAL A 43 1.611 -2.263 10.313 1.00 0.36 C ATOM 684 CG1 VAL A 43 2.276 -3.432 11.024 1.00 0.86 C ATOM 685 CG2 VAL A 43 0.327 -2.696 9.625 1.00 0.82 C ATOM 0 H VAL A 43 3.346 -0.571 11.120 1.00 0.25 H new ATOM 0 HA VAL A 43 0.536 -0.497 10.807 1.00 0.29 H new ATOM 0 HB VAL A 43 2.316 -1.915 9.558 1.00 0.36 H new ATOM 0 HG11 VAL A 43 2.462 -4.234 10.310 1.00 0.86 H new ATOM 0 HG12 VAL A 43 3.222 -3.105 11.456 1.00 0.86 H new ATOM 0 HG13 VAL A 43 1.622 -3.796 11.816 1.00 0.86 H new ATOM 0 HG21 VAL A 43 0.538 -3.523 8.947 1.00 0.82 H new ATOM 0 HG22 VAL A 43 -0.397 -3.016 10.374 1.00 0.82 H new ATOM 0 HG23 VAL A 43 -0.083 -1.859 9.059 1.00 0.82 H new ATOM 695 N THR A 44 1.665 -1.554 13.651 1.00 0.36 N ATOM 696 CA THR A 44 1.204 -1.882 14.992 1.00 0.43 C ATOM 697 C THR A 44 0.869 -0.602 15.769 1.00 0.44 C ATOM 698 O THR A 44 0.148 -0.639 16.765 1.00 0.52 O ATOM 699 CB THR A 44 2.229 -2.743 15.769 1.00 0.45 C ATOM 700 OG1 THR A 44 1.596 -3.331 16.912 1.00 0.54 O ATOM 701 CG2 THR A 44 3.431 -1.926 16.221 1.00 0.42 C ATOM 0 H THR A 44 2.649 -1.295 13.584 1.00 0.36 H new ATOM 0 HA THR A 44 0.299 -2.481 14.888 1.00 0.43 H new ATOM 0 HB THR A 44 2.587 -3.520 15.094 1.00 0.45 H new ATOM 0 HG1 THR A 44 0.939 -2.704 17.281 1.00 0.54 H new ATOM 0 HG21 THR A 44 4.125 -2.569 16.762 1.00 0.42 H new ATOM 0 HG22 THR A 44 3.932 -1.503 15.350 1.00 0.42 H new ATOM 0 HG23 THR A 44 3.098 -1.120 16.875 1.00 0.42 H new ATOM 709 N LYS A 45 1.377 0.531 15.284 1.00 0.39 N ATOM 710 CA LYS A 45 1.136 1.826 15.914 1.00 0.41 C ATOM 711 C LYS A 45 -0.166 2.452 15.430 1.00 0.40 C ATOM 712 O LYS A 45 -1.094 2.660 16.212 1.00 0.45 O ATOM 713 CB LYS A 45 2.284 2.779 15.584 1.00 0.40 C ATOM 714 CG LYS A 45 3.537 2.575 16.421 1.00 0.47 C ATOM 715 CD LYS A 45 4.689 3.428 15.903 1.00 0.56 C ATOM 716 CE LYS A 45 4.322 4.903 15.890 1.00 1.19 C ATOM 717 NZ LYS A 45 5.415 5.754 15.350 1.00 2.01 N ATOM 0 H LYS A 45 1.962 0.576 14.450 1.00 0.39 H new ATOM 0 HA LYS A 45 1.067 1.662 16.989 1.00 0.41 H new ATOM 0 HB2 LYS A 45 2.543 2.664 14.532 1.00 0.40 H new ATOM 0 HB3 LYS A 45 1.937 3.804 15.716 1.00 0.40 H new ATOM 0 HG2 LYS A 45 3.330 2.831 17.460 1.00 0.47 H new ATOM 0 HG3 LYS A 45 3.823 1.523 16.403 1.00 0.47 H new ATOM 0 HD2 LYS A 45 5.568 3.275 16.530 1.00 0.56 H new ATOM 0 HD3 LYS A 45 4.956 3.109 14.896 1.00 0.56 H new ATOM 0 HE2 LYS A 45 3.424 5.046 15.290 1.00 1.19 H new ATOM 0 HE3 LYS A 45 4.082 5.224 16.904 1.00 1.19 H new ATOM 0 HZ1 LYS A 45 5.034 6.686 15.092 1.00 2.01 H new ATOM 0 HZ2 LYS A 45 6.154 5.870 16.073 1.00 2.01 H new ATOM 0 HZ3 LYS A 45 5.823 5.301 14.507 1.00 2.01 H new ATOM 731 N GLU A 46 -0.229 2.749 14.137 1.00 0.35 N ATOM 732 CA GLU A 46 -1.403 3.371 13.551 1.00 0.37 C ATOM 733 C GLU A 46 -2.334 2.327 12.953 1.00 0.37 C ATOM 734 O GLU A 46 -3.547 2.535 12.883 1.00 0.41 O ATOM 735 CB GLU A 46 -0.962 4.351 12.471 1.00 0.36 C ATOM 736 CG GLU A 46 0.058 5.358 12.971 1.00 0.39 C ATOM 737 CD GLU A 46 0.525 6.312 11.896 1.00 1.36 C ATOM 738 OE1 GLU A 46 0.365 5.993 10.701 1.00 2.00 O ATOM 739 OE2 GLU A 46 1.060 7.385 12.251 1.00 2.01 O ATOM 0 H GLU A 46 0.525 2.567 13.475 1.00 0.35 H new ATOM 0 HA GLU A 46 -1.948 3.899 14.334 1.00 0.37 H new ATOM 0 HB2 GLU A 46 -0.538 3.796 11.634 1.00 0.36 H new ATOM 0 HB3 GLU A 46 -1.834 4.883 12.091 1.00 0.36 H new ATOM 0 HG2 GLU A 46 -0.376 5.929 13.792 1.00 0.39 H new ATOM 0 HG3 GLU A 46 0.919 4.825 13.374 1.00 0.39 H new ATOM 746 N ARG A 47 -1.757 1.202 12.535 1.00 0.35 N ATOM 747 CA ARG A 47 -2.503 0.151 11.850 1.00 0.35 C ATOM 748 C ARG A 47 -3.164 0.685 10.581 1.00 0.26 C ATOM 749 O ARG A 47 -4.379 0.565 10.441 1.00 0.31 O ATOM 750 CB ARG A 47 -3.597 -0.457 12.757 1.00 0.48 C ATOM 751 CG ARG A 47 -3.118 -1.547 13.699 1.00 0.73 C ATOM 752 CD ARG A 47 -2.965 -2.860 12.949 1.00 1.59 C ATOM 753 NE ARG A 47 -4.198 -3.643 12.894 1.00 2.33 N ATOM 754 CZ ARG A 47 -4.454 -4.559 11.956 1.00 3.40 C ATOM 755 NH1 ARG A 47 -3.605 -4.734 10.948 1.00 3.94 N ATOM 756 NH2 ARG A 47 -5.558 -5.296 12.021 1.00 4.15 N ATOM 0 H ARG A 47 -0.766 0.995 12.661 1.00 0.35 H new ATOM 0 HA ARG A 47 -1.782 -0.624 11.592 1.00 0.35 H new ATOM 0 HB2 ARG A 47 -4.043 0.343 13.348 1.00 0.48 H new ATOM 0 HB3 ARG A 47 -4.386 -0.865 12.125 1.00 0.48 H new ATOM 0 HG2 ARG A 47 -2.165 -1.261 14.143 1.00 0.73 H new ATOM 0 HG3 ARG A 47 -3.828 -1.668 14.517 1.00 0.73 H new ATOM 0 HD2 ARG A 47 -2.629 -2.653 11.933 1.00 1.59 H new ATOM 0 HD3 ARG A 47 -2.187 -3.455 13.427 1.00 1.59 H new ATOM 0 HE ARG A 47 -4.903 -3.481 13.613 1.00 2.33 H new ATOM 0 HH11 ARG A 47 -2.758 -4.169 10.891 1.00 3.94 H new ATOM 0 HH12 ARG A 47 -3.801 -5.434 10.232 1.00 3.94 H new ATOM 0 HH21 ARG A 47 -6.215 -5.164 12.790 1.00 4.15 H new ATOM 0 HH22 ARG A 47 -5.748 -5.994 11.302 1.00 4.15 H new ATOM 770 N PRO A 48 -2.408 1.287 9.633 1.00 0.19 N ATOM 771 CA PRO A 48 -3.009 1.798 8.399 1.00 0.17 C ATOM 772 C PRO A 48 -3.746 0.698 7.634 1.00 0.22 C ATOM 773 O PRO A 48 -3.337 -0.464 7.659 1.00 0.33 O ATOM 774 CB PRO A 48 -1.825 2.325 7.597 1.00 0.19 C ATOM 775 CG PRO A 48 -0.748 2.556 8.600 1.00 0.22 C ATOM 776 CD PRO A 48 -0.944 1.498 9.650 1.00 0.22 C ATOM 0 HA PRO A 48 -3.758 2.565 8.594 1.00 0.17 H new ATOM 0 HB2 PRO A 48 -1.511 1.607 6.840 1.00 0.19 H new ATOM 0 HB3 PRO A 48 -2.082 3.247 7.075 1.00 0.19 H new ATOM 0 HG2 PRO A 48 0.238 2.477 8.142 1.00 0.22 H new ATOM 0 HG3 PRO A 48 -0.820 3.555 9.031 1.00 0.22 H new ATOM 0 HD2 PRO A 48 -0.401 0.584 9.410 1.00 0.22 H new ATOM 0 HD3 PRO A 48 -0.594 1.829 10.628 1.00 0.22 H new ATOM 784 N ASP A 49 -4.831 1.062 6.960 1.00 0.23 N ATOM 785 CA ASP A 49 -5.679 0.078 6.301 1.00 0.29 C ATOM 786 C ASP A 49 -5.020 -0.360 5.011 1.00 0.25 C ATOM 787 O ASP A 49 -5.058 -1.532 4.643 1.00 0.31 O ATOM 788 CB ASP A 49 -7.073 0.662 6.027 1.00 0.37 C ATOM 789 CG ASP A 49 -8.085 -0.377 5.559 1.00 1.20 C ATOM 790 OD1 ASP A 49 -8.617 -1.130 6.403 1.00 1.40 O ATOM 791 OD2 ASP A 49 -8.320 -0.477 4.334 1.00 2.12 O ATOM 0 H ASP A 49 -5.143 2.028 6.856 1.00 0.23 H new ATOM 0 HA ASP A 49 -5.803 -0.786 6.953 1.00 0.29 H new ATOM 0 HB2 ASP A 49 -7.445 1.136 6.935 1.00 0.37 H new ATOM 0 HB3 ASP A 49 -6.989 1.443 5.271 1.00 0.37 H new ATOM 796 N LEU A 50 -4.363 0.591 4.357 1.00 0.21 N ATOM 797 CA LEU A 50 -3.648 0.309 3.124 1.00 0.22 C ATOM 798 C LEU A 50 -2.167 0.351 3.430 1.00 0.19 C ATOM 799 O LEU A 50 -1.725 1.162 4.238 1.00 0.20 O ATOM 800 CB LEU A 50 -3.925 1.338 2.005 1.00 0.28 C ATOM 801 CG LEU A 50 -5.379 1.595 1.532 1.00 0.46 C ATOM 802 CD1 LEU A 50 -5.967 0.388 0.836 1.00 1.39 C ATOM 803 CD2 LEU A 50 -6.288 2.043 2.669 1.00 1.21 C ATOM 0 H LEU A 50 -4.312 1.563 4.662 1.00 0.21 H new ATOM 0 HA LEU A 50 -3.985 -0.664 2.766 1.00 0.22 H new ATOM 0 HB2 LEU A 50 -3.518 2.294 2.335 1.00 0.28 H new ATOM 0 HB3 LEU A 50 -3.349 1.031 1.132 1.00 0.28 H new ATOM 0 HG LEU A 50 -5.321 2.411 0.812 1.00 0.46 H new ATOM 0 HD11 LEU A 50 -6.986 0.611 0.521 1.00 1.39 H new ATOM 0 HD12 LEU A 50 -5.363 0.141 -0.037 1.00 1.39 H new ATOM 0 HD13 LEU A 50 -5.976 -0.459 1.522 1.00 1.39 H new ATOM 0 HD21 LEU A 50 -7.295 2.210 2.286 1.00 1.21 H new ATOM 0 HD22 LEU A 50 -6.316 1.271 3.438 1.00 1.21 H new ATOM 0 HD23 LEU A 50 -5.905 2.969 3.098 1.00 1.21 H new ATOM 815 N VAL A 51 -1.403 -0.519 2.819 1.00 0.22 N ATOM 816 CA VAL A 51 0.036 -0.474 2.964 1.00 0.23 C ATOM 817 C VAL A 51 0.713 -0.426 1.614 1.00 0.27 C ATOM 818 O VAL A 51 0.712 -1.403 0.883 1.00 0.48 O ATOM 819 CB VAL A 51 0.583 -1.682 3.730 1.00 0.31 C ATOM 820 CG1 VAL A 51 2.106 -1.663 3.732 1.00 0.34 C ATOM 821 CG2 VAL A 51 0.044 -1.714 5.152 1.00 0.40 C ATOM 0 H VAL A 51 -1.749 -1.266 2.217 1.00 0.22 H new ATOM 0 HA VAL A 51 0.253 0.431 3.531 1.00 0.23 H new ATOM 0 HB VAL A 51 0.248 -2.588 3.224 1.00 0.31 H new ATOM 0 HG11 VAL A 51 2.480 -2.528 4.280 1.00 0.34 H new ATOM 0 HG12 VAL A 51 2.472 -1.698 2.706 1.00 0.34 H new ATOM 0 HG13 VAL A 51 2.458 -0.750 4.212 1.00 0.34 H new ATOM 0 HG21 VAL A 51 0.447 -2.581 5.675 1.00 0.40 H new ATOM 0 HG22 VAL A 51 0.341 -0.805 5.674 1.00 0.40 H new ATOM 0 HG23 VAL A 51 -1.044 -1.779 5.127 1.00 0.40 H new ATOM 831 N LEU A 52 1.285 0.703 1.296 1.00 0.23 N ATOM 832 CA LEU A 52 2.101 0.841 0.127 1.00 0.26 C ATOM 833 C LEU A 52 3.515 0.378 0.469 1.00 0.23 C ATOM 834 O LEU A 52 4.183 0.989 1.291 1.00 0.26 O ATOM 835 CB LEU A 52 2.098 2.300 -0.316 1.00 0.30 C ATOM 836 CG LEU A 52 0.734 2.879 -0.702 1.00 0.45 C ATOM 837 CD1 LEU A 52 0.887 4.311 -1.186 1.00 1.08 C ATOM 838 CD2 LEU A 52 0.068 2.035 -1.773 1.00 1.37 C ATOM 0 H LEU A 52 1.196 1.557 1.846 1.00 0.23 H new ATOM 0 HA LEU A 52 1.714 0.233 -0.691 1.00 0.26 H new ATOM 0 HB2 LEU A 52 2.513 2.905 0.490 1.00 0.30 H new ATOM 0 HB3 LEU A 52 2.769 2.402 -1.169 1.00 0.30 H new ATOM 0 HG LEU A 52 0.100 2.870 0.184 1.00 0.45 H new ATOM 0 HD11 LEU A 52 -0.091 4.710 -1.457 1.00 1.08 H new ATOM 0 HD12 LEU A 52 1.320 4.919 -0.392 1.00 1.08 H new ATOM 0 HD13 LEU A 52 1.542 4.333 -2.057 1.00 1.08 H new ATOM 0 HD21 LEU A 52 -0.899 2.468 -2.029 1.00 1.37 H new ATOM 0 HD22 LEU A 52 0.700 2.009 -2.661 1.00 1.37 H new ATOM 0 HD23 LEU A 52 -0.076 1.021 -1.400 1.00 1.37 H new ATOM 850 N LEU A 53 3.961 -0.707 -0.139 1.00 0.22 N ATOM 851 CA LEU A 53 5.190 -1.362 0.296 1.00 0.22 C ATOM 852 C LEU A 53 6.202 -1.486 -0.851 1.00 0.19 C ATOM 853 O LEU A 53 5.879 -2.021 -1.917 1.00 0.20 O ATOM 854 CB LEU A 53 4.826 -2.756 0.837 1.00 0.31 C ATOM 855 CG LEU A 53 5.789 -3.392 1.850 1.00 0.49 C ATOM 856 CD1 LEU A 53 7.195 -3.490 1.303 1.00 1.20 C ATOM 857 CD2 LEU A 53 5.782 -2.635 3.163 1.00 0.96 C ATOM 0 H LEU A 53 3.497 -1.153 -0.930 1.00 0.22 H new ATOM 0 HA LEU A 53 5.660 -0.760 1.073 1.00 0.22 H new ATOM 0 HB2 LEU A 53 3.842 -2.691 1.302 1.00 0.31 H new ATOM 0 HB3 LEU A 53 4.733 -3.434 -0.012 1.00 0.31 H new ATOM 0 HG LEU A 53 5.433 -4.405 2.035 1.00 0.49 H new ATOM 0 HD11 LEU A 53 7.845 -3.945 2.050 1.00 1.20 H new ATOM 0 HD12 LEU A 53 7.193 -4.103 0.402 1.00 1.20 H new ATOM 0 HD13 LEU A 53 7.562 -2.492 1.062 1.00 1.20 H new ATOM 0 HD21 LEU A 53 6.473 -3.109 3.860 1.00 0.96 H new ATOM 0 HD22 LEU A 53 6.091 -1.604 2.990 1.00 0.96 H new ATOM 0 HD23 LEU A 53 4.777 -2.647 3.585 1.00 0.96 H new ATOM 869 N ASP A 54 7.422 -0.983 -0.635 1.00 0.20 N ATOM 870 CA ASP A 54 8.528 -1.259 -1.543 1.00 0.19 C ATOM 871 C ASP A 54 9.493 -2.256 -0.901 1.00 0.18 C ATOM 872 O ASP A 54 10.091 -1.980 0.139 1.00 0.24 O ATOM 873 CB ASP A 54 9.270 0.027 -1.921 1.00 0.23 C ATOM 874 CG ASP A 54 10.462 -0.226 -2.830 1.00 0.36 C ATOM 875 OD1 ASP A 54 10.395 -1.151 -3.670 1.00 0.27 O ATOM 876 OD2 ASP A 54 11.473 0.494 -2.705 1.00 0.83 O ATOM 0 H ASP A 54 7.663 -0.387 0.157 1.00 0.20 H new ATOM 0 HA ASP A 54 8.119 -1.691 -2.456 1.00 0.19 H new ATOM 0 HB2 ASP A 54 8.578 0.708 -2.417 1.00 0.23 H new ATOM 0 HB3 ASP A 54 9.610 0.525 -1.013 1.00 0.23 H new ATOM 881 N MET A 55 9.615 -3.428 -1.515 1.00 0.27 N ATOM 882 CA MET A 55 10.510 -4.480 -1.029 1.00 0.31 C ATOM 883 C MET A 55 11.956 -4.016 -1.057 1.00 0.32 C ATOM 884 O MET A 55 12.762 -4.378 -0.200 1.00 0.43 O ATOM 885 CB MET A 55 10.370 -5.727 -1.905 1.00 0.38 C ATOM 886 CG MET A 55 11.486 -6.743 -1.719 1.00 0.48 C ATOM 887 SD MET A 55 11.433 -8.056 -2.950 1.00 1.23 S ATOM 888 CE MET A 55 12.857 -9.036 -2.477 1.00 1.60 C ATOM 0 H MET A 55 9.101 -3.678 -2.360 1.00 0.27 H new ATOM 0 HA MET A 55 10.232 -4.713 -0.001 1.00 0.31 H new ATOM 0 HB2 MET A 55 9.416 -6.207 -1.686 1.00 0.38 H new ATOM 0 HB3 MET A 55 10.341 -5.422 -2.951 1.00 0.38 H new ATOM 0 HG2 MET A 55 12.449 -6.235 -1.775 1.00 0.48 H new ATOM 0 HG3 MET A 55 11.414 -7.180 -0.723 1.00 0.48 H new ATOM 0 HE1 MET A 55 13.602 -9.002 -3.272 1.00 1.60 H new ATOM 0 HE2 MET A 55 13.287 -8.634 -1.559 1.00 1.60 H new ATOM 0 HE3 MET A 55 12.549 -10.069 -2.312 1.00 1.60 H new ATOM 898 N LYS A 56 12.261 -3.193 -2.040 1.00 0.29 N ATOM 899 CA LYS A 56 13.624 -2.779 -2.313 1.00 0.35 C ATOM 900 C LYS A 56 13.914 -1.449 -1.639 1.00 0.30 C ATOM 901 O LYS A 56 14.730 -0.648 -2.101 1.00 0.37 O ATOM 902 CB LYS A 56 13.805 -2.717 -3.821 1.00 0.49 C ATOM 903 CG LYS A 56 13.556 -4.075 -4.458 1.00 0.76 C ATOM 904 CD LYS A 56 12.849 -3.973 -5.797 1.00 1.11 C ATOM 905 CE LYS A 56 11.819 -5.084 -5.953 1.00 1.26 C ATOM 906 NZ LYS A 56 12.365 -6.443 -5.668 1.00 2.37 N ATOM 0 H LYS A 56 11.570 -2.791 -2.674 1.00 0.29 H new ATOM 0 HA LYS A 56 14.338 -3.494 -1.905 1.00 0.35 H new ATOM 0 HB2 LYS A 56 13.119 -1.983 -4.243 1.00 0.49 H new ATOM 0 HB3 LYS A 56 14.815 -2.381 -4.056 1.00 0.49 H new ATOM 0 HG2 LYS A 56 14.508 -4.589 -4.593 1.00 0.76 H new ATOM 0 HG3 LYS A 56 12.958 -4.685 -3.781 1.00 0.76 H new ATOM 0 HD2 LYS A 56 12.359 -3.003 -5.881 1.00 1.11 H new ATOM 0 HD3 LYS A 56 13.579 -4.033 -6.604 1.00 1.11 H new ATOM 0 HE2 LYS A 56 10.981 -4.889 -5.283 1.00 1.26 H new ATOM 0 HE3 LYS A 56 11.426 -5.064 -6.969 1.00 1.26 H new ATOM 0 HZ1 LYS A 56 11.762 -7.161 -6.118 1.00 2.37 H new ATOM 0 HZ2 LYS A 56 13.331 -6.516 -6.047 1.00 2.37 H new ATOM 0 HZ3 LYS A 56 12.384 -6.601 -4.640 1.00 2.37 H new ATOM 920 N ILE A 57 13.259 -1.264 -0.509 1.00 0.24 N ATOM 921 CA ILE A 57 13.453 -0.105 0.329 1.00 0.24 C ATOM 922 C ILE A 57 14.758 -0.289 1.114 1.00 0.29 C ATOM 923 O ILE A 57 14.996 -1.342 1.713 1.00 0.32 O ATOM 924 CB ILE A 57 12.216 0.076 1.271 1.00 0.22 C ATOM 925 CG1 ILE A 57 11.891 1.553 1.459 1.00 0.24 C ATOM 926 CG2 ILE A 57 12.404 -0.604 2.627 1.00 0.25 C ATOM 927 CD1 ILE A 57 12.925 2.335 2.229 1.00 0.29 C ATOM 0 H ILE A 57 12.571 -1.924 -0.146 1.00 0.24 H new ATOM 0 HA ILE A 57 13.536 0.802 -0.270 1.00 0.24 H new ATOM 0 HB ILE A 57 11.375 -0.415 0.780 1.00 0.22 H new ATOM 0 HG12 ILE A 57 11.766 2.011 0.478 1.00 0.24 H new ATOM 0 HG13 ILE A 57 10.934 1.637 1.974 1.00 0.24 H new ATOM 0 HG21 ILE A 57 11.516 -0.446 3.239 1.00 0.25 H new ATOM 0 HG22 ILE A 57 12.558 -1.673 2.480 1.00 0.25 H new ATOM 0 HG23 ILE A 57 13.272 -0.178 3.130 1.00 0.25 H new ATOM 0 HD11 ILE A 57 12.608 3.374 2.312 1.00 0.29 H new ATOM 0 HD12 ILE A 57 13.036 1.909 3.226 1.00 0.29 H new ATOM 0 HD13 ILE A 57 13.880 2.288 1.706 1.00 0.29 H new ATOM 939 N PRO A 58 15.670 0.688 1.027 1.00 0.33 N ATOM 940 CA PRO A 58 16.958 0.627 1.718 1.00 0.38 C ATOM 941 C PRO A 58 16.796 0.383 3.213 1.00 0.37 C ATOM 942 O PRO A 58 16.165 1.170 3.919 1.00 0.37 O ATOM 943 CB PRO A 58 17.575 1.991 1.444 1.00 0.43 C ATOM 944 CG PRO A 58 16.924 2.455 0.188 1.00 0.41 C ATOM 945 CD PRO A 58 15.528 1.917 0.230 1.00 0.36 C ATOM 0 HA PRO A 58 17.576 -0.200 1.368 1.00 0.38 H new ATOM 0 HB2 PRO A 58 17.388 2.682 2.266 1.00 0.43 H new ATOM 0 HB3 PRO A 58 18.656 1.920 1.327 1.00 0.43 H new ATOM 0 HG2 PRO A 58 16.922 3.543 0.127 1.00 0.41 H new ATOM 0 HG3 PRO A 58 17.458 2.088 -0.688 1.00 0.41 H new ATOM 0 HD2 PRO A 58 14.838 2.621 0.694 1.00 0.36 H new ATOM 0 HD3 PRO A 58 15.146 1.708 -0.769 1.00 0.36 H new ATOM 953 N GLY A 59 17.368 -0.713 3.685 1.00 0.41 N ATOM 954 CA GLY A 59 17.198 -1.102 5.063 1.00 0.44 C ATOM 955 C GLY A 59 16.899 -2.575 5.202 1.00 0.42 C ATOM 956 O GLY A 59 17.761 -3.372 5.582 1.00 0.55 O ATOM 0 H GLY A 59 17.950 -1.342 3.132 1.00 0.41 H new ATOM 0 HA2 GLY A 59 18.102 -0.861 5.622 1.00 0.44 H new ATOM 0 HA3 GLY A 59 16.387 -0.524 5.505 1.00 0.44 H new ATOM 960 N MET A 60 15.668 -2.931 4.884 1.00 0.38 N ATOM 961 CA MET A 60 15.204 -4.311 4.988 1.00 0.39 C ATOM 962 C MET A 60 14.432 -4.718 3.744 1.00 0.36 C ATOM 963 O MET A 60 14.028 -3.869 2.952 1.00 0.34 O ATOM 964 CB MET A 60 14.291 -4.493 6.201 1.00 0.40 C ATOM 965 CG MET A 60 14.971 -4.260 7.541 1.00 0.53 C ATOM 966 SD MET A 60 16.293 -5.439 7.877 1.00 0.78 S ATOM 967 CE MET A 60 15.363 -6.958 8.073 1.00 1.51 C ATOM 0 H MET A 60 14.961 -2.278 4.547 1.00 0.38 H new ATOM 0 HA MET A 60 16.089 -4.939 5.097 1.00 0.39 H new ATOM 0 HB2 MET A 60 13.448 -3.808 6.112 1.00 0.40 H new ATOM 0 HB3 MET A 60 13.884 -5.504 6.185 1.00 0.40 H new ATOM 0 HG2 MET A 60 15.379 -3.249 7.564 1.00 0.53 H new ATOM 0 HG3 MET A 60 14.227 -4.321 8.335 1.00 0.53 H new ATOM 0 HE1 MET A 60 15.989 -7.708 8.557 1.00 1.51 H new ATOM 0 HE2 MET A 60 14.483 -6.769 8.687 1.00 1.51 H new ATOM 0 HE3 MET A 60 15.051 -7.322 7.094 1.00 1.51 H new ATOM 977 N ASP A 61 14.209 -6.016 3.590 1.00 0.38 N ATOM 978 CA ASP A 61 13.371 -6.513 2.505 1.00 0.38 C ATOM 979 C ASP A 61 11.928 -6.362 2.899 1.00 0.32 C ATOM 980 O ASP A 61 11.378 -7.186 3.630 1.00 0.33 O ATOM 981 CB ASP A 61 13.660 -7.961 2.142 1.00 0.48 C ATOM 982 CG ASP A 61 15.114 -8.186 1.782 1.00 0.70 C ATOM 983 OD1 ASP A 61 15.550 -7.710 0.714 1.00 0.88 O ATOM 984 OD2 ASP A 61 15.826 -8.851 2.564 1.00 0.84 O ATOM 0 H ASP A 61 14.593 -6.740 4.197 1.00 0.38 H new ATOM 0 HA ASP A 61 13.597 -5.922 1.617 1.00 0.38 H new ATOM 0 HB2 ASP A 61 13.392 -8.604 2.981 1.00 0.48 H new ATOM 0 HB3 ASP A 61 13.031 -8.255 1.302 1.00 0.48 H new ATOM 989 N GLY A 62 11.329 -5.279 2.437 1.00 0.33 N ATOM 990 CA GLY A 62 9.953 -4.994 2.761 1.00 0.37 C ATOM 991 C GLY A 62 9.020 -6.107 2.346 1.00 0.36 C ATOM 992 O GLY A 62 7.919 -6.222 2.880 1.00 0.40 O ATOM 0 H GLY A 62 11.778 -4.586 1.837 1.00 0.33 H new ATOM 0 HA2 GLY A 62 9.862 -4.829 3.835 1.00 0.37 H new ATOM 0 HA3 GLY A 62 9.651 -4.069 2.270 1.00 0.37 H new ATOM 996 N ILE A 63 9.468 -6.937 1.402 1.00 0.35 N ATOM 997 CA ILE A 63 8.685 -8.075 0.953 1.00 0.36 C ATOM 998 C ILE A 63 8.284 -8.935 2.139 1.00 0.32 C ATOM 999 O ILE A 63 7.110 -9.203 2.347 1.00 0.33 O ATOM 1000 CB ILE A 63 9.441 -8.936 -0.092 1.00 0.42 C ATOM 1001 CG1 ILE A 63 8.601 -10.155 -0.485 1.00 0.64 C ATOM 1002 CG2 ILE A 63 10.811 -9.366 0.423 1.00 0.39 C ATOM 1003 CD1 ILE A 63 9.267 -11.050 -1.508 1.00 1.60 C ATOM 0 H ILE A 63 10.370 -6.837 0.937 1.00 0.35 H new ATOM 0 HA ILE A 63 7.793 -7.680 0.466 1.00 0.36 H new ATOM 0 HB ILE A 63 9.603 -8.322 -0.978 1.00 0.42 H new ATOM 0 HG12 ILE A 63 8.384 -10.739 0.409 1.00 0.64 H new ATOM 0 HG13 ILE A 63 7.645 -9.813 -0.882 1.00 0.64 H new ATOM 0 HG21 ILE A 63 11.312 -9.968 -0.335 1.00 0.39 H new ATOM 0 HG22 ILE A 63 11.411 -8.483 0.641 1.00 0.39 H new ATOM 0 HG23 ILE A 63 10.690 -9.955 1.332 1.00 0.39 H new ATOM 0 HD11 ILE A 63 8.613 -11.891 -1.736 1.00 1.60 H new ATOM 0 HD12 ILE A 63 9.459 -10.482 -2.418 1.00 1.60 H new ATOM 0 HD13 ILE A 63 10.210 -11.422 -1.107 1.00 1.60 H new ATOM 1015 N GLU A 64 9.271 -9.300 2.941 1.00 0.31 N ATOM 1016 CA GLU A 64 9.072 -10.143 4.103 1.00 0.33 C ATOM 1017 C GLU A 64 7.996 -9.567 5.007 1.00 0.28 C ATOM 1018 O GLU A 64 7.108 -10.280 5.478 1.00 0.30 O ATOM 1019 CB GLU A 64 10.387 -10.248 4.875 1.00 0.40 C ATOM 1020 CG GLU A 64 11.577 -10.611 4.004 1.00 0.49 C ATOM 1021 CD GLU A 64 11.454 -12.013 3.444 1.00 0.69 C ATOM 1022 OE1 GLU A 64 10.771 -12.184 2.412 1.00 0.86 O ATOM 1023 OE2 GLU A 64 12.079 -12.941 3.996 1.00 0.97 O ATOM 0 H GLU A 64 10.240 -9.016 2.800 1.00 0.31 H new ATOM 0 HA GLU A 64 8.752 -11.131 3.772 1.00 0.33 H new ATOM 0 HB2 GLU A 64 10.586 -9.297 5.369 1.00 0.40 H new ATOM 0 HB3 GLU A 64 10.279 -10.998 5.659 1.00 0.40 H new ATOM 0 HG2 GLU A 64 11.659 -9.897 3.184 1.00 0.49 H new ATOM 0 HG3 GLU A 64 12.494 -10.532 4.589 1.00 0.49 H new ATOM 1030 N ILE A 65 8.074 -8.266 5.210 1.00 0.27 N ATOM 1031 CA ILE A 65 7.169 -7.571 6.099 1.00 0.27 C ATOM 1032 C ILE A 65 5.749 -7.543 5.519 1.00 0.27 C ATOM 1033 O ILE A 65 4.781 -7.802 6.233 1.00 0.29 O ATOM 1034 CB ILE A 65 7.655 -6.128 6.398 1.00 0.28 C ATOM 1035 CG1 ILE A 65 8.944 -6.127 7.250 1.00 0.30 C ATOM 1036 CG2 ILE A 65 6.565 -5.342 7.110 1.00 0.34 C ATOM 1037 CD1 ILE A 65 10.175 -6.655 6.542 1.00 0.32 C ATOM 0 H ILE A 65 8.766 -7.664 4.763 1.00 0.27 H new ATOM 0 HA ILE A 65 7.153 -8.121 7.040 1.00 0.27 H new ATOM 0 HB ILE A 65 7.881 -5.652 5.444 1.00 0.28 H new ATOM 0 HG12 ILE A 65 9.142 -5.108 7.582 1.00 0.30 H new ATOM 0 HG13 ILE A 65 8.772 -6.726 8.144 1.00 0.30 H new ATOM 0 HG21 ILE A 65 6.919 -4.331 7.314 1.00 0.34 H new ATOM 0 HG22 ILE A 65 5.678 -5.295 6.478 1.00 0.34 H new ATOM 0 HG23 ILE A 65 6.315 -5.835 8.049 1.00 0.34 H new ATOM 0 HD11 ILE A 65 11.029 -6.615 7.218 1.00 0.32 H new ATOM 0 HD12 ILE A 65 10.003 -7.686 6.234 1.00 0.32 H new ATOM 0 HD13 ILE A 65 10.380 -6.044 5.663 1.00 0.32 H new ATOM 1049 N LEU A 66 5.627 -7.254 4.224 1.00 0.29 N ATOM 1050 CA LEU A 66 4.322 -7.188 3.589 1.00 0.34 C ATOM 1051 C LEU A 66 3.649 -8.560 3.547 1.00 0.32 C ATOM 1052 O LEU A 66 2.422 -8.655 3.640 1.00 0.34 O ATOM 1053 CB LEU A 66 4.440 -6.546 2.193 1.00 0.52 C ATOM 1054 CG LEU A 66 5.152 -7.345 1.088 1.00 1.02 C ATOM 1055 CD1 LEU A 66 4.238 -8.391 0.469 1.00 1.98 C ATOM 1056 CD2 LEU A 66 5.657 -6.404 0.008 1.00 1.67 C ATOM 0 H LEU A 66 6.413 -7.064 3.602 1.00 0.29 H new ATOM 0 HA LEU A 66 3.674 -6.550 4.190 1.00 0.34 H new ATOM 0 HB2 LEU A 66 3.433 -6.318 1.844 1.00 0.52 H new ATOM 0 HB3 LEU A 66 4.961 -5.595 2.306 1.00 0.52 H new ATOM 0 HG LEU A 66 5.993 -7.864 1.548 1.00 1.02 H new ATOM 0 HD11 LEU A 66 4.779 -8.933 -0.307 1.00 1.98 H new ATOM 0 HD12 LEU A 66 3.911 -9.090 1.239 1.00 1.98 H new ATOM 0 HD13 LEU A 66 3.369 -7.901 0.030 1.00 1.98 H new ATOM 0 HD21 LEU A 66 6.160 -6.979 -0.770 1.00 1.67 H new ATOM 0 HD22 LEU A 66 4.816 -5.864 -0.426 1.00 1.67 H new ATOM 0 HD23 LEU A 66 6.359 -5.693 0.444 1.00 1.67 H new ATOM 1068 N LYS A 67 4.440 -9.630 3.423 1.00 0.32 N ATOM 1069 CA LYS A 67 3.876 -10.973 3.502 1.00 0.37 C ATOM 1070 C LYS A 67 3.360 -11.193 4.915 1.00 0.38 C ATOM 1071 O LYS A 67 2.242 -11.647 5.114 1.00 0.44 O ATOM 1072 CB LYS A 67 4.901 -12.072 3.195 1.00 0.42 C ATOM 1073 CG LYS A 67 5.908 -11.702 2.131 1.00 0.40 C ATOM 1074 CD LYS A 67 7.085 -12.672 2.070 1.00 0.43 C ATOM 1075 CE LYS A 67 7.595 -13.043 3.457 1.00 1.34 C ATOM 1076 NZ LYS A 67 8.853 -13.833 3.390 1.00 1.27 N ATOM 0 H LYS A 67 5.448 -9.592 3.271 1.00 0.32 H new ATOM 0 HA LYS A 67 3.085 -11.039 2.755 1.00 0.37 H new ATOM 0 HB2 LYS A 67 5.434 -12.322 4.112 1.00 0.42 H new ATOM 0 HB3 LYS A 67 4.370 -12.970 2.880 1.00 0.42 H new ATOM 0 HG2 LYS A 67 5.412 -11.677 1.161 1.00 0.40 H new ATOM 0 HG3 LYS A 67 6.281 -10.696 2.324 1.00 0.40 H new ATOM 0 HD2 LYS A 67 6.782 -13.576 1.542 1.00 0.43 H new ATOM 0 HD3 LYS A 67 7.895 -12.223 1.495 1.00 0.43 H new ATOM 0 HE2 LYS A 67 7.766 -12.136 4.036 1.00 1.34 H new ATOM 0 HE3 LYS A 67 6.833 -13.618 3.983 1.00 1.34 H new ATOM 0 HZ1 LYS A 67 9.268 -13.907 4.341 1.00 1.27 H new ATOM 0 HZ2 LYS A 67 8.646 -14.786 3.027 1.00 1.27 H new ATOM 0 HZ3 LYS A 67 9.527 -13.360 2.755 1.00 1.27 H new ATOM 1090 N ARG A 68 4.204 -10.854 5.885 1.00 0.35 N ATOM 1091 CA ARG A 68 3.865 -10.960 7.299 1.00 0.41 C ATOM 1092 C ARG A 68 2.559 -10.226 7.587 1.00 0.39 C ATOM 1093 O ARG A 68 1.700 -10.750 8.265 1.00 0.46 O ATOM 1094 CB ARG A 68 4.995 -10.356 8.128 1.00 0.45 C ATOM 1095 CG ARG A 68 5.034 -10.801 9.580 1.00 0.49 C ATOM 1096 CD ARG A 68 5.804 -12.104 9.740 1.00 1.11 C ATOM 1097 NE ARG A 68 4.953 -13.287 9.643 1.00 1.70 N ATOM 1098 CZ ARG A 68 5.319 -14.423 9.046 1.00 2.45 C ATOM 1099 NH1 ARG A 68 6.462 -14.490 8.374 1.00 2.71 N ATOM 1100 NH2 ARG A 68 4.531 -15.487 9.109 1.00 3.22 N ATOM 0 H ARG A 68 5.144 -10.497 5.712 1.00 0.35 H new ATOM 0 HA ARG A 68 3.736 -12.010 7.562 1.00 0.41 H new ATOM 0 HB2 ARG A 68 5.946 -10.611 7.660 1.00 0.45 H new ATOM 0 HB3 ARG A 68 4.907 -9.270 8.099 1.00 0.45 H new ATOM 0 HG2 ARG A 68 5.499 -10.025 10.188 1.00 0.49 H new ATOM 0 HG3 ARG A 68 4.017 -10.930 9.950 1.00 0.49 H new ATOM 0 HD2 ARG A 68 6.579 -12.157 8.975 1.00 1.11 H new ATOM 0 HD3 ARG A 68 6.309 -12.105 10.706 1.00 1.11 H new ATOM 0 HE ARG A 68 4.022 -13.242 10.057 1.00 1.70 H new ATOM 0 HH11 ARG A 68 7.066 -13.670 8.312 1.00 2.71 H new ATOM 0 HH12 ARG A 68 6.736 -15.361 7.920 1.00 2.71 H new ATOM 0 HH21 ARG A 68 3.646 -15.437 9.613 1.00 3.22 H new ATOM 0 HH22 ARG A 68 4.810 -16.356 8.653 1.00 3.22 H new ATOM 1114 N MET A 69 2.408 -9.019 7.050 1.00 0.34 N ATOM 1115 CA MET A 69 1.177 -8.250 7.238 1.00 0.36 C ATOM 1116 C MET A 69 -0.033 -8.994 6.683 1.00 0.41 C ATOM 1117 O MET A 69 -1.022 -9.205 7.390 1.00 0.45 O ATOM 1118 CB MET A 69 1.275 -6.891 6.553 1.00 0.38 C ATOM 1119 CG MET A 69 2.327 -5.969 7.142 1.00 0.42 C ATOM 1120 SD MET A 69 2.394 -4.384 6.287 1.00 1.16 S ATOM 1121 CE MET A 69 3.553 -3.487 7.311 1.00 1.18 C ATOM 0 H MET A 69 3.117 -8.552 6.484 1.00 0.34 H new ATOM 0 HA MET A 69 1.049 -8.111 8.312 1.00 0.36 H new ATOM 0 HB2 MET A 69 1.494 -7.045 5.496 1.00 0.38 H new ATOM 0 HB3 MET A 69 0.304 -6.398 6.609 1.00 0.38 H new ATOM 0 HG2 MET A 69 2.112 -5.802 8.198 1.00 0.42 H new ATOM 0 HG3 MET A 69 3.303 -6.451 7.087 1.00 0.42 H new ATOM 0 HE1 MET A 69 3.150 -2.500 7.539 1.00 1.18 H new ATOM 0 HE2 MET A 69 3.718 -4.034 8.239 1.00 1.18 H new ATOM 0 HE3 MET A 69 4.499 -3.379 6.781 1.00 1.18 H new ATOM 1131 N LYS A 70 0.045 -9.393 5.414 1.00 0.47 N ATOM 1132 CA LYS A 70 -1.029 -10.172 4.787 1.00 0.60 C ATOM 1133 C LYS A 70 -1.087 -11.579 5.385 1.00 0.66 C ATOM 1134 O LYS A 70 -1.908 -12.404 4.999 1.00 0.90 O ATOM 1135 CB LYS A 70 -0.853 -10.218 3.255 1.00 0.80 C ATOM 1136 CG LYS A 70 0.423 -10.900 2.774 1.00 0.98 C ATOM 1137 CD LYS A 70 0.241 -12.402 2.590 1.00 1.71 C ATOM 1138 CE LYS A 70 1.578 -13.110 2.417 1.00 2.51 C ATOM 1139 NZ LYS A 70 2.386 -12.549 1.298 1.00 3.32 N ATOM 0 H LYS A 70 0.835 -9.193 4.801 1.00 0.47 H new ATOM 0 HA LYS A 70 -1.979 -9.680 4.993 1.00 0.60 H new ATOM 0 HB2 LYS A 70 -1.709 -10.735 2.821 1.00 0.80 H new ATOM 0 HB3 LYS A 70 -0.869 -9.198 2.872 1.00 0.80 H new ATOM 0 HG2 LYS A 70 0.736 -10.456 1.829 1.00 0.98 H new ATOM 0 HG3 LYS A 70 1.223 -10.718 3.492 1.00 0.98 H new ATOM 0 HD2 LYS A 70 -0.281 -12.815 3.453 1.00 1.71 H new ATOM 0 HD3 LYS A 70 -0.386 -12.589 1.719 1.00 1.71 H new ATOM 0 HE2 LYS A 70 2.147 -13.034 3.344 1.00 2.51 H new ATOM 0 HE3 LYS A 70 1.402 -14.170 2.236 1.00 2.51 H new ATOM 0 HZ1 LYS A 70 3.394 -12.738 1.469 1.00 3.32 H new ATOM 0 HZ2 LYS A 70 2.097 -12.995 0.404 1.00 3.32 H new ATOM 0 HZ3 LYS A 70 2.231 -11.522 1.239 1.00 3.32 H new ATOM 1153 N VAL A 71 -0.168 -11.836 6.299 1.00 0.59 N ATOM 1154 CA VAL A 71 -0.148 -13.045 7.100 1.00 0.66 C ATOM 1155 C VAL A 71 -0.820 -12.815 8.468 1.00 0.67 C ATOM 1156 O VAL A 71 -1.469 -13.714 9.002 1.00 0.79 O ATOM 1157 CB VAL A 71 1.315 -13.523 7.259 1.00 0.65 C ATOM 1158 CG1 VAL A 71 1.609 -14.023 8.653 1.00 0.76 C ATOM 1159 CG2 VAL A 71 1.634 -14.600 6.236 1.00 0.75 C ATOM 0 H VAL A 71 0.599 -11.197 6.508 1.00 0.59 H new ATOM 0 HA VAL A 71 -0.720 -13.823 6.594 1.00 0.66 H new ATOM 0 HB VAL A 71 1.955 -12.658 7.085 1.00 0.65 H new ATOM 0 HG11 VAL A 71 2.648 -14.347 8.712 1.00 0.76 H new ATOM 0 HG12 VAL A 71 1.437 -13.221 9.371 1.00 0.76 H new ATOM 0 HG13 VAL A 71 0.954 -14.863 8.884 1.00 0.76 H new ATOM 0 HG21 VAL A 71 2.667 -14.926 6.361 1.00 0.75 H new ATOM 0 HG22 VAL A 71 0.966 -15.449 6.381 1.00 0.75 H new ATOM 0 HG23 VAL A 71 1.499 -14.199 5.231 1.00 0.75 H new ATOM 1169 N ILE A 72 -0.687 -11.602 9.015 1.00 0.59 N ATOM 1170 CA ILE A 72 -1.271 -11.276 10.322 1.00 0.64 C ATOM 1171 C ILE A 72 -2.767 -11.038 10.194 1.00 0.66 C ATOM 1172 O ILE A 72 -3.564 -11.499 11.011 1.00 0.77 O ATOM 1173 CB ILE A 72 -0.664 -9.988 10.945 1.00 0.62 C ATOM 1174 CG1 ILE A 72 0.864 -9.984 10.896 1.00 0.57 C ATOM 1175 CG2 ILE A 72 -1.139 -9.820 12.382 1.00 0.79 C ATOM 1176 CD1 ILE A 72 1.506 -11.219 11.496 1.00 1.48 C ATOM 0 H ILE A 72 -0.182 -10.832 8.576 1.00 0.59 H new ATOM 0 HA ILE A 72 -1.052 -12.130 10.963 1.00 0.64 H new ATOM 0 HB ILE A 72 -1.013 -9.147 10.345 1.00 0.62 H new ATOM 0 HG12 ILE A 72 1.183 -9.890 9.858 1.00 0.57 H new ATOM 0 HG13 ILE A 72 1.231 -9.104 11.424 1.00 0.57 H new ATOM 0 HG21 ILE A 72 -0.706 -8.914 12.805 1.00 0.79 H new ATOM 0 HG22 ILE A 72 -2.226 -9.745 12.399 1.00 0.79 H new ATOM 0 HG23 ILE A 72 -0.826 -10.681 12.972 1.00 0.79 H new ATOM 0 HD11 ILE A 72 2.590 -11.138 11.422 1.00 1.48 H new ATOM 0 HD12 ILE A 72 1.219 -11.305 12.544 1.00 1.48 H new ATOM 0 HD13 ILE A 72 1.171 -12.103 10.954 1.00 1.48 H new ATOM 1188 N ASP A 73 -3.141 -10.323 9.150 1.00 0.61 N ATOM 1189 CA ASP A 73 -4.522 -9.902 8.980 1.00 0.67 C ATOM 1190 C ASP A 73 -5.170 -10.692 7.858 1.00 0.72 C ATOM 1191 O ASP A 73 -6.273 -11.213 8.004 1.00 0.85 O ATOM 1192 CB ASP A 73 -4.568 -8.406 8.663 1.00 0.64 C ATOM 1193 CG ASP A 73 -5.902 -7.777 9.002 1.00 0.97 C ATOM 1194 OD1 ASP A 73 -6.067 -7.323 10.147 1.00 0.91 O ATOM 1195 OD2 ASP A 73 -6.791 -7.742 8.123 1.00 1.88 O ATOM 0 H ASP A 73 -2.511 -10.021 8.407 1.00 0.61 H new ATOM 0 HA ASP A 73 -5.071 -10.089 9.903 1.00 0.67 H new ATOM 0 HB2 ASP A 73 -3.780 -7.897 9.218 1.00 0.64 H new ATOM 0 HB3 ASP A 73 -4.360 -8.257 7.604 1.00 0.64 H new ATOM 1200 N GLU A 74 -4.473 -10.719 6.720 1.00 0.67 N ATOM 1201 CA GLU A 74 -4.851 -11.512 5.544 1.00 0.75 C ATOM 1202 C GLU A 74 -5.967 -10.803 4.810 1.00 0.74 C ATOM 1203 O GLU A 74 -6.545 -11.310 3.851 1.00 0.86 O ATOM 1204 CB GLU A 74 -5.249 -12.941 5.931 1.00 0.88 C ATOM 1205 CG GLU A 74 -4.139 -13.691 6.649 1.00 0.99 C ATOM 1206 CD GLU A 74 -4.523 -15.103 7.026 1.00 1.19 C ATOM 1207 OE1 GLU A 74 -5.308 -15.281 7.981 1.00 1.31 O ATOM 1208 OE2 GLU A 74 -4.032 -16.049 6.375 1.00 1.31 O ATOM 0 H GLU A 74 -3.616 -10.182 6.586 1.00 0.67 H new ATOM 0 HA GLU A 74 -3.989 -11.602 4.882 1.00 0.75 H new ATOM 0 HB2 GLU A 74 -6.130 -12.906 6.572 1.00 0.88 H new ATOM 0 HB3 GLU A 74 -5.529 -13.490 5.032 1.00 0.88 H new ATOM 0 HG2 GLU A 74 -3.256 -13.720 6.010 1.00 0.99 H new ATOM 0 HG3 GLU A 74 -3.863 -13.143 7.550 1.00 0.99 H new ATOM 1215 N ASN A 75 -6.235 -9.606 5.291 1.00 0.68 N ATOM 1216 CA ASN A 75 -7.264 -8.751 4.753 1.00 0.74 C ATOM 1217 C ASN A 75 -6.706 -7.361 4.541 1.00 0.67 C ATOM 1218 O ASN A 75 -7.189 -6.610 3.693 1.00 0.76 O ATOM 1219 CB ASN A 75 -8.414 -8.713 5.736 1.00 0.85 C ATOM 1220 CG ASN A 75 -9.182 -10.011 5.751 1.00 0.95 C ATOM 1221 OD1 ASN A 75 -10.182 -10.168 5.053 1.00 1.14 O ATOM 1222 ND2 ASN A 75 -8.705 -10.958 6.540 1.00 1.00 N ATOM 0 H ASN A 75 -5.734 -9.197 6.079 1.00 0.68 H new ATOM 0 HA ASN A 75 -7.615 -9.132 3.794 1.00 0.74 H new ATOM 0 HB2 ASN A 75 -8.031 -8.506 6.735 1.00 0.85 H new ATOM 0 HB3 ASN A 75 -9.087 -7.896 5.477 1.00 0.85 H new ATOM 0 HD21 ASN A 75 -9.170 -11.865 6.587 1.00 1.00 H new ATOM 0 HD22 ASN A 75 -7.872 -10.782 7.102 1.00 1.00 H new ATOM 1229 N ILE A 76 -5.684 -7.040 5.334 1.00 0.57 N ATOM 1230 CA ILE A 76 -4.980 -5.773 5.233 1.00 0.51 C ATOM 1231 C ILE A 76 -4.626 -5.476 3.782 1.00 0.40 C ATOM 1232 O ILE A 76 -4.121 -6.337 3.057 1.00 0.36 O ATOM 1233 CB ILE A 76 -3.709 -5.777 6.110 1.00 0.51 C ATOM 1234 CG1 ILE A 76 -3.068 -4.390 6.107 1.00 0.52 C ATOM 1235 CG2 ILE A 76 -2.721 -6.837 5.638 1.00 0.48 C ATOM 1236 CD1 ILE A 76 -1.897 -4.256 7.057 1.00 0.59 C ATOM 0 H ILE A 76 -5.325 -7.656 6.064 1.00 0.57 H new ATOM 0 HA ILE A 76 -5.641 -4.987 5.598 1.00 0.51 H new ATOM 0 HB ILE A 76 -3.993 -6.027 7.132 1.00 0.51 H new ATOM 0 HG12 ILE A 76 -2.732 -4.157 5.096 1.00 0.52 H new ATOM 0 HG13 ILE A 76 -3.824 -3.650 6.370 1.00 0.52 H new ATOM 0 HG21 ILE A 76 -1.835 -6.818 6.273 1.00 0.48 H new ATOM 0 HG22 ILE A 76 -3.187 -7.820 5.696 1.00 0.48 H new ATOM 0 HG23 ILE A 76 -2.432 -6.632 4.607 1.00 0.48 H new ATOM 0 HD11 ILE A 76 -1.495 -3.245 6.999 1.00 0.59 H new ATOM 0 HD12 ILE A 76 -2.230 -4.456 8.075 1.00 0.59 H new ATOM 0 HD13 ILE A 76 -1.122 -4.971 6.782 1.00 0.59 H new ATOM 1248 N ARG A 77 -4.924 -4.265 3.352 1.00 0.42 N ATOM 1249 CA ARG A 77 -4.788 -3.919 1.950 1.00 0.39 C ATOM 1250 C ARG A 77 -3.349 -3.574 1.626 1.00 0.37 C ATOM 1251 O ARG A 77 -2.927 -2.422 1.690 1.00 0.53 O ATOM 1252 CB ARG A 77 -5.699 -2.762 1.546 1.00 0.55 C ATOM 1253 CG ARG A 77 -6.845 -2.468 2.506 1.00 0.74 C ATOM 1254 CD ARG A 77 -7.716 -3.679 2.770 1.00 0.79 C ATOM 1255 NE ARG A 77 -8.917 -3.305 3.523 1.00 1.24 N ATOM 1256 CZ ARG A 77 -9.806 -4.170 4.008 1.00 1.51 C ATOM 1257 NH1 ARG A 77 -9.625 -5.475 3.869 1.00 1.94 N ATOM 1258 NH2 ARG A 77 -10.869 -3.726 4.660 1.00 1.93 N ATOM 0 H ARG A 77 -5.260 -3.509 3.948 1.00 0.42 H new ATOM 0 HA ARG A 77 -5.092 -4.795 1.377 1.00 0.39 H new ATOM 0 HB2 ARG A 77 -5.092 -1.862 1.445 1.00 0.55 H new ATOM 0 HB3 ARG A 77 -6.117 -2.977 0.563 1.00 0.55 H new ATOM 0 HG2 ARG A 77 -6.438 -2.106 3.450 1.00 0.74 H new ATOM 0 HG3 ARG A 77 -7.460 -1.667 2.096 1.00 0.74 H new ATOM 0 HD2 ARG A 77 -8.003 -4.139 1.824 1.00 0.79 H new ATOM 0 HD3 ARG A 77 -7.150 -4.425 3.328 1.00 0.79 H new ATOM 0 HE ARG A 77 -9.084 -2.312 3.687 1.00 1.24 H new ATOM 0 HH11 ARG A 77 -8.798 -5.827 3.386 1.00 1.94 H new ATOM 0 HH12 ARG A 77 -10.313 -6.128 4.245 1.00 1.94 H new ATOM 0 HH21 ARG A 77 -11.006 -2.724 4.790 1.00 1.93 H new ATOM 0 HH22 ARG A 77 -11.551 -4.386 5.032 1.00 1.93 H new ATOM 1272 N VAL A 78 -2.616 -4.594 1.272 1.00 0.33 N ATOM 1273 CA VAL A 78 -1.201 -4.465 0.960 1.00 0.38 C ATOM 1274 C VAL A 78 -0.995 -4.180 -0.520 1.00 0.38 C ATOM 1275 O VAL A 78 -1.328 -4.988 -1.373 1.00 0.53 O ATOM 1276 CB VAL A 78 -0.405 -5.728 1.370 1.00 0.43 C ATOM 1277 CG1 VAL A 78 -0.143 -5.726 2.868 1.00 0.95 C ATOM 1278 CG2 VAL A 78 -1.151 -6.994 0.973 1.00 0.88 C ATOM 0 H VAL A 78 -2.975 -5.545 1.189 1.00 0.33 H new ATOM 0 HA VAL A 78 -0.822 -3.623 1.539 1.00 0.38 H new ATOM 0 HB VAL A 78 0.549 -5.711 0.843 1.00 0.43 H new ATOM 0 HG11 VAL A 78 0.417 -6.620 3.141 1.00 0.95 H new ATOM 0 HG12 VAL A 78 0.434 -4.841 3.135 1.00 0.95 H new ATOM 0 HG13 VAL A 78 -1.092 -5.716 3.403 1.00 0.95 H new ATOM 0 HG21 VAL A 78 -0.571 -7.867 1.272 1.00 0.88 H new ATOM 0 HG22 VAL A 78 -2.121 -7.015 1.469 1.00 0.88 H new ATOM 0 HG23 VAL A 78 -1.296 -7.007 -0.107 1.00 0.88 H new ATOM 1288 N ILE A 79 -0.462 -3.014 -0.814 1.00 0.28 N ATOM 1289 CA ILE A 79 -0.217 -2.590 -2.181 1.00 0.29 C ATOM 1290 C ILE A 79 1.281 -2.586 -2.461 1.00 0.28 C ATOM 1291 O ILE A 79 2.074 -2.127 -1.639 1.00 0.27 O ATOM 1292 CB ILE A 79 -0.803 -1.190 -2.440 1.00 0.35 C ATOM 1293 CG1 ILE A 79 -2.303 -1.168 -2.093 1.00 0.55 C ATOM 1294 CG2 ILE A 79 -0.573 -0.786 -3.894 1.00 0.45 C ATOM 1295 CD1 ILE A 79 -3.193 -1.856 -3.107 1.00 0.59 C ATOM 0 H ILE A 79 -0.184 -2.329 -0.111 1.00 0.28 H new ATOM 0 HA ILE A 79 -0.710 -3.295 -2.851 1.00 0.29 H new ATOM 0 HB ILE A 79 -0.296 -0.468 -1.800 1.00 0.35 H new ATOM 0 HG12 ILE A 79 -2.445 -1.643 -1.122 1.00 0.55 H new ATOM 0 HG13 ILE A 79 -2.624 -0.131 -1.991 1.00 0.55 H new ATOM 0 HG21 ILE A 79 -0.991 0.206 -4.067 1.00 0.45 H new ATOM 0 HG22 ILE A 79 0.497 -0.770 -4.102 1.00 0.45 H new ATOM 0 HG23 ILE A 79 -1.060 -1.505 -4.553 1.00 0.45 H new ATOM 0 HD11 ILE A 79 -4.232 -1.792 -2.782 1.00 0.59 H new ATOM 0 HD12 ILE A 79 -3.085 -1.368 -4.076 1.00 0.59 H new ATOM 0 HD13 ILE A 79 -2.904 -2.903 -3.194 1.00 0.59 H new ATOM 1307 N ILE A 80 1.668 -3.091 -3.617 1.00 0.31 N ATOM 1308 CA ILE A 80 3.079 -3.239 -3.932 1.00 0.32 C ATOM 1309 C ILE A 80 3.545 -2.152 -4.892 1.00 0.37 C ATOM 1310 O ILE A 80 3.019 -2.000 -5.995 1.00 0.46 O ATOM 1311 CB ILE A 80 3.413 -4.655 -4.486 1.00 0.37 C ATOM 1312 CG1 ILE A 80 4.553 -4.606 -5.513 1.00 0.40 C ATOM 1313 CG2 ILE A 80 2.181 -5.320 -5.076 1.00 0.47 C ATOM 1314 CD1 ILE A 80 4.927 -5.963 -6.068 1.00 0.45 C ATOM 0 H ILE A 80 1.031 -3.404 -4.350 1.00 0.31 H new ATOM 0 HA ILE A 80 3.627 -3.125 -2.997 1.00 0.32 H new ATOM 0 HB ILE A 80 3.752 -5.259 -3.645 1.00 0.37 H new ATOM 0 HG12 ILE A 80 4.261 -3.954 -6.336 1.00 0.40 H new ATOM 0 HG13 ILE A 80 5.431 -4.158 -5.048 1.00 0.40 H new ATOM 0 HG21 ILE A 80 2.446 -6.307 -5.454 1.00 0.47 H new ATOM 0 HG22 ILE A 80 1.417 -5.420 -4.305 1.00 0.47 H new ATOM 0 HG23 ILE A 80 1.794 -4.710 -5.893 1.00 0.47 H new ATOM 0 HD11 ILE A 80 5.739 -5.851 -6.787 1.00 0.45 H new ATOM 0 HD12 ILE A 80 5.250 -6.612 -5.254 1.00 0.45 H new ATOM 0 HD13 ILE A 80 4.062 -6.405 -6.563 1.00 0.45 H new ATOM 1326 N MET A 81 4.533 -1.395 -4.444 1.00 0.35 N ATOM 1327 CA MET A 81 5.119 -0.328 -5.236 1.00 0.43 C ATOM 1328 C MET A 81 6.574 -0.670 -5.507 1.00 0.45 C ATOM 1329 O MET A 81 7.411 0.194 -5.773 1.00 0.57 O ATOM 1330 CB MET A 81 4.980 1.014 -4.505 1.00 0.48 C ATOM 1331 CG MET A 81 5.673 1.064 -3.152 1.00 0.47 C ATOM 1332 SD MET A 81 5.187 2.499 -2.171 1.00 0.99 S ATOM 1333 CE MET A 81 5.723 3.844 -3.227 1.00 1.36 C ATOM 0 H MET A 81 4.951 -1.504 -3.520 1.00 0.35 H new ATOM 0 HA MET A 81 4.596 -0.232 -6.187 1.00 0.43 H new ATOM 0 HB2 MET A 81 5.386 1.803 -5.138 1.00 0.48 H new ATOM 0 HB3 MET A 81 3.921 1.231 -4.366 1.00 0.48 H new ATOM 0 HG2 MET A 81 5.442 0.155 -2.597 1.00 0.47 H new ATOM 0 HG3 MET A 81 6.753 1.081 -3.302 1.00 0.47 H new ATOM 0 HE1 MET A 81 6.094 4.664 -2.612 1.00 1.36 H new ATOM 0 HE2 MET A 81 6.519 3.495 -3.885 1.00 1.36 H new ATOM 0 HE3 MET A 81 4.883 4.192 -3.828 1.00 1.36 H new ATOM 1343 N THR A 82 6.844 -1.963 -5.430 1.00 0.39 N ATOM 1344 CA THR A 82 8.146 -2.513 -5.685 1.00 0.42 C ATOM 1345 C THR A 82 8.106 -3.297 -7.007 1.00 0.48 C ATOM 1346 O THR A 82 7.156 -3.157 -7.783 1.00 0.52 O ATOM 1347 CB THR A 82 8.560 -3.414 -4.495 1.00 0.40 C ATOM 1348 OG1 THR A 82 9.972 -3.588 -4.470 1.00 0.43 O ATOM 1349 CG2 THR A 82 7.881 -4.775 -4.539 1.00 0.44 C ATOM 0 H THR A 82 6.145 -2.664 -5.183 1.00 0.39 H new ATOM 0 HA THR A 82 8.889 -1.721 -5.781 1.00 0.42 H new ATOM 0 HB THR A 82 8.235 -2.907 -3.586 1.00 0.40 H new ATOM 0 HG1 THR A 82 10.410 -2.712 -4.500 1.00 0.43 H new ATOM 0 HG21 THR A 82 8.203 -5.370 -3.684 1.00 0.44 H new ATOM 0 HG22 THR A 82 6.800 -4.643 -4.503 1.00 0.44 H new ATOM 0 HG23 THR A 82 8.153 -5.288 -5.461 1.00 0.44 H new ATOM 1357 N ALA A 83 9.121 -4.107 -7.270 1.00 0.54 N ATOM 1358 CA ALA A 83 9.147 -4.910 -8.485 1.00 0.64 C ATOM 1359 C ALA A 83 7.932 -5.804 -8.537 1.00 0.69 C ATOM 1360 O ALA A 83 7.807 -6.772 -7.795 1.00 0.74 O ATOM 1361 CB ALA A 83 10.409 -5.742 -8.598 1.00 0.77 C ATOM 0 H ALA A 83 9.932 -4.226 -6.664 1.00 0.54 H new ATOM 0 HA ALA A 83 9.136 -4.222 -9.330 1.00 0.64 H new ATOM 0 HB1 ALA A 83 10.381 -6.323 -9.520 1.00 0.77 H new ATOM 0 HB2 ALA A 83 11.278 -5.085 -8.610 1.00 0.77 H new ATOM 0 HB3 ALA A 83 10.477 -6.418 -7.746 1.00 0.77 H new ATOM 1367 N TYR A 84 7.028 -5.433 -9.404 1.00 0.75 N ATOM 1368 CA TYR A 84 5.786 -6.110 -9.596 1.00 0.93 C ATOM 1369 C TYR A 84 5.945 -7.548 -10.076 1.00 1.04 C ATOM 1370 O TYR A 84 4.958 -8.268 -10.191 1.00 1.38 O ATOM 1371 CB TYR A 84 5.006 -5.268 -10.576 1.00 1.14 C ATOM 1372 CG TYR A 84 5.623 -5.181 -11.958 1.00 1.02 C ATOM 1373 CD1 TYR A 84 5.341 -6.127 -12.938 1.00 1.23 C ATOM 1374 CD2 TYR A 84 6.491 -4.146 -12.279 1.00 1.17 C ATOM 1375 CE1 TYR A 84 5.910 -6.043 -14.195 1.00 1.55 C ATOM 1376 CE2 TYR A 84 7.063 -4.057 -13.533 1.00 1.68 C ATOM 1377 CZ TYR A 84 6.769 -5.005 -14.486 1.00 1.84 C ATOM 1378 OH TYR A 84 7.347 -4.919 -15.731 1.00 2.42 O ATOM 0 H TYR A 84 7.146 -4.623 -10.013 1.00 0.75 H new ATOM 0 HA TYR A 84 5.262 -6.212 -8.646 1.00 0.93 H new ATOM 0 HB2 TYR A 84 3.999 -5.676 -10.666 1.00 1.14 H new ATOM 0 HB3 TYR A 84 4.907 -4.261 -10.172 1.00 1.14 H new ATOM 0 HD1 TYR A 84 4.667 -6.940 -12.713 1.00 1.23 H new ATOM 0 HD2 TYR A 84 6.723 -3.398 -11.535 1.00 1.17 H new ATOM 0 HE1 TYR A 84 5.683 -6.786 -14.945 1.00 1.55 H new ATOM 0 HE2 TYR A 84 7.738 -3.247 -13.765 1.00 1.68 H new ATOM 0 HH TYR A 84 7.924 -4.128 -15.770 1.00 2.42 H new ATOM 1388 N GLY A 85 7.178 -7.969 -10.332 1.00 1.18 N ATOM 1389 CA GLY A 85 7.446 -9.370 -10.585 1.00 1.31 C ATOM 1390 C GLY A 85 7.361 -10.184 -9.306 1.00 1.26 C ATOM 1391 O GLY A 85 7.581 -11.397 -9.301 1.00 1.37 O ATOM 0 H GLY A 85 7.998 -7.363 -10.369 1.00 1.18 H new ATOM 0 HA2 GLY A 85 6.731 -9.754 -11.312 1.00 1.31 H new ATOM 0 HA3 GLY A 85 8.438 -9.480 -11.024 1.00 1.31 H new ATOM 1395 N GLU A 86 7.005 -9.503 -8.222 1.00 1.14 N ATOM 1396 CA GLU A 86 6.875 -10.115 -6.915 1.00 1.12 C ATOM 1397 C GLU A 86 5.503 -10.754 -6.778 1.00 1.14 C ATOM 1398 O GLU A 86 5.217 -11.430 -5.799 1.00 1.13 O ATOM 1399 CB GLU A 86 7.088 -9.076 -5.810 1.00 1.04 C ATOM 1400 CG GLU A 86 8.382 -9.259 -5.031 1.00 1.04 C ATOM 1401 CD GLU A 86 9.621 -9.146 -5.903 1.00 1.60 C ATOM 1402 OE1 GLU A 86 9.996 -10.153 -6.540 1.00 2.16 O ATOM 1403 OE2 GLU A 86 10.228 -8.051 -5.952 1.00 1.64 O ATOM 0 H GLU A 86 6.798 -8.504 -8.231 1.00 1.14 H new ATOM 0 HA GLU A 86 7.639 -10.886 -6.813 1.00 1.12 H new ATOM 0 HB2 GLU A 86 7.081 -8.081 -6.255 1.00 1.04 H new ATOM 0 HB3 GLU A 86 6.249 -9.121 -5.116 1.00 1.04 H new ATOM 0 HG2 GLU A 86 8.432 -8.511 -4.240 1.00 1.04 H new ATOM 0 HG3 GLU A 86 8.373 -10.235 -4.547 1.00 1.04 H new ATOM 1410 N LEU A 87 4.651 -10.549 -7.773 1.00 1.19 N ATOM 1411 CA LEU A 87 3.367 -11.253 -7.809 1.00 1.27 C ATOM 1412 C LEU A 87 3.633 -12.738 -8.018 1.00 1.27 C ATOM 1413 O LEU A 87 2.774 -13.586 -7.791 1.00 1.30 O ATOM 1414 CB LEU A 87 2.418 -10.661 -8.888 1.00 1.38 C ATOM 1415 CG LEU A 87 2.603 -11.075 -10.373 1.00 1.41 C ATOM 1416 CD1 LEU A 87 4.061 -11.060 -10.808 1.00 1.84 C ATOM 1417 CD2 LEU A 87 1.963 -12.430 -10.655 1.00 1.96 C ATOM 0 H LEU A 87 4.816 -9.914 -8.554 1.00 1.19 H new ATOM 0 HA LEU A 87 2.849 -11.119 -6.860 1.00 1.27 H new ATOM 0 HB2 LEU A 87 1.398 -10.916 -8.602 1.00 1.38 H new ATOM 0 HB3 LEU A 87 2.502 -9.575 -8.838 1.00 1.38 H new ATOM 0 HG LEU A 87 2.088 -10.323 -10.970 1.00 1.41 H new ATOM 0 HD11 LEU A 87 4.132 -11.358 -11.854 1.00 1.84 H new ATOM 0 HD12 LEU A 87 4.466 -10.055 -10.688 1.00 1.84 H new ATOM 0 HD13 LEU A 87 4.631 -11.757 -10.193 1.00 1.84 H new ATOM 0 HD21 LEU A 87 2.110 -12.691 -11.703 1.00 1.96 H new ATOM 0 HD22 LEU A 87 2.425 -13.189 -10.024 1.00 1.96 H new ATOM 0 HD23 LEU A 87 0.896 -12.380 -10.440 1.00 1.96 H new ATOM 1429 N ASP A 88 4.857 -13.028 -8.428 1.00 1.29 N ATOM 1430 CA ASP A 88 5.303 -14.396 -8.612 1.00 1.35 C ATOM 1431 C ASP A 88 5.707 -15.014 -7.277 1.00 1.29 C ATOM 1432 O ASP A 88 5.229 -16.082 -6.903 1.00 1.39 O ATOM 1433 CB ASP A 88 6.482 -14.428 -9.585 1.00 1.38 C ATOM 1434 CG ASP A 88 7.102 -15.807 -9.709 1.00 1.49 C ATOM 1435 OD1 ASP A 88 6.513 -16.663 -10.400 1.00 1.59 O ATOM 1436 OD2 ASP A 88 8.171 -16.043 -9.108 1.00 1.54 O ATOM 0 H ASP A 88 5.565 -12.325 -8.641 1.00 1.29 H new ATOM 0 HA ASP A 88 4.480 -14.980 -9.025 1.00 1.35 H new ATOM 0 HB2 ASP A 88 6.146 -14.096 -10.567 1.00 1.38 H new ATOM 0 HB3 ASP A 88 7.242 -13.721 -9.252 1.00 1.38 H new ATOM 1441 N MET A 89 6.574 -14.322 -6.550 1.00 1.17 N ATOM 1442 CA MET A 89 7.113 -14.852 -5.305 1.00 1.16 C ATOM 1443 C MET A 89 6.340 -14.345 -4.088 1.00 1.14 C ATOM 1444 O MET A 89 5.782 -15.140 -3.327 1.00 1.25 O ATOM 1445 CB MET A 89 8.593 -14.475 -5.192 1.00 1.11 C ATOM 1446 CG MET A 89 9.203 -14.742 -3.824 1.00 1.13 C ATOM 1447 SD MET A 89 10.977 -14.410 -3.781 1.00 1.46 S ATOM 1448 CE MET A 89 11.026 -12.714 -4.364 1.00 2.17 C ATOM 0 H MET A 89 6.918 -13.395 -6.800 1.00 1.17 H new ATOM 0 HA MET A 89 7.009 -15.937 -5.323 1.00 1.16 H new ATOM 0 HB2 MET A 89 9.156 -15.030 -5.943 1.00 1.11 H new ATOM 0 HB3 MET A 89 8.706 -13.417 -5.427 1.00 1.11 H new ATOM 0 HG2 MET A 89 8.703 -14.123 -3.080 1.00 1.13 H new ATOM 0 HG3 MET A 89 9.024 -15.781 -3.547 1.00 1.13 H new ATOM 0 HE1 MET A 89 11.936 -12.232 -4.006 1.00 2.17 H new ATOM 0 HE2 MET A 89 11.015 -12.703 -5.454 1.00 2.17 H new ATOM 0 HE3 MET A 89 10.157 -12.174 -3.987 1.00 2.17 H new ATOM 1458 N ALA A 90 6.253 -13.026 -3.945 1.00 1.06 N ATOM 1459 CA ALA A 90 5.674 -12.409 -2.752 1.00 1.05 C ATOM 1460 C ALA A 90 4.221 -12.828 -2.543 1.00 1.12 C ATOM 1461 O ALA A 90 3.778 -13.037 -1.406 1.00 1.17 O ATOM 1462 CB ALA A 90 5.771 -10.895 -2.840 1.00 0.99 C ATOM 0 H ALA A 90 6.578 -12.358 -4.644 1.00 1.06 H new ATOM 0 HA ALA A 90 6.247 -12.759 -1.893 1.00 1.05 H new ATOM 0 HB1 ALA A 90 5.336 -10.450 -1.945 1.00 0.99 H new ATOM 0 HB2 ALA A 90 6.818 -10.601 -2.919 1.00 0.99 H new ATOM 0 HB3 ALA A 90 5.229 -10.546 -3.719 1.00 0.99 H new ATOM 1468 N GLN A 91 3.482 -12.950 -3.640 1.00 1.19 N ATOM 1469 CA GLN A 91 2.080 -13.328 -3.574 1.00 1.31 C ATOM 1470 C GLN A 91 1.919 -14.789 -3.149 1.00 1.46 C ATOM 1471 O GLN A 91 1.297 -15.082 -2.122 1.00 1.51 O ATOM 1472 CB GLN A 91 1.390 -13.049 -4.921 1.00 1.40 C ATOM 1473 CG GLN A 91 0.351 -14.092 -5.314 1.00 1.68 C ATOM 1474 CD GLN A 91 -0.501 -13.667 -6.498 1.00 1.84 C ATOM 1475 OE1 GLN A 91 -1.562 -13.065 -6.330 1.00 2.24 O ATOM 1476 NE2 GLN A 91 -0.043 -13.974 -7.701 1.00 2.42 N ATOM 0 H GLN A 91 3.833 -12.792 -4.585 1.00 1.19 H new ATOM 0 HA GLN A 91 1.593 -12.719 -2.812 1.00 1.31 H new ATOM 0 HB2 GLN A 91 0.909 -12.072 -4.876 1.00 1.40 H new ATOM 0 HB3 GLN A 91 2.149 -12.995 -5.702 1.00 1.40 H new ATOM 0 HG2 GLN A 91 0.857 -15.027 -5.555 1.00 1.68 H new ATOM 0 HG3 GLN A 91 -0.297 -14.291 -4.460 1.00 1.68 H new ATOM 0 HE21 GLN A 91 0.841 -14.474 -7.798 1.00 2.42 H new ATOM 0 HE22 GLN A 91 -0.574 -13.711 -8.531 1.00 2.42 H new ATOM 1485 N GLU A 92 2.523 -15.687 -3.914 1.00 1.57 N ATOM 1486 CA GLU A 92 2.416 -17.120 -3.675 1.00 1.80 C ATOM 1487 C GLU A 92 3.063 -17.561 -2.359 1.00 1.83 C ATOM 1488 O GLU A 92 2.810 -18.674 -1.894 1.00 2.04 O ATOM 1489 CB GLU A 92 2.999 -17.892 -4.854 1.00 1.91 C ATOM 1490 CG GLU A 92 2.255 -17.623 -6.150 1.00 1.96 C ATOM 1491 CD GLU A 92 2.611 -18.605 -7.246 1.00 2.13 C ATOM 1492 OE1 GLU A 92 2.594 -19.829 -6.992 1.00 2.44 O ATOM 1493 OE2 GLU A 92 2.942 -18.154 -8.359 1.00 2.12 O ATOM 0 H GLU A 92 3.101 -15.443 -4.718 1.00 1.57 H new ATOM 0 HA GLU A 92 1.354 -17.349 -3.581 1.00 1.80 H new ATOM 0 HB2 GLU A 92 4.048 -17.622 -4.978 1.00 1.91 H new ATOM 0 HB3 GLU A 92 2.968 -18.960 -4.636 1.00 1.91 H new ATOM 0 HG2 GLU A 92 1.182 -17.667 -5.963 1.00 1.96 H new ATOM 0 HG3 GLU A 92 2.478 -16.611 -6.488 1.00 1.96 H new ATOM 1500 N SER A 93 3.908 -16.707 -1.773 1.00 1.66 N ATOM 1501 CA SER A 93 4.578 -17.021 -0.500 1.00 1.77 C ATOM 1502 C SER A 93 3.593 -17.445 0.602 1.00 1.87 C ATOM 1503 O SER A 93 3.992 -18.076 1.578 1.00 2.13 O ATOM 1504 CB SER A 93 5.385 -15.814 -0.005 1.00 1.65 C ATOM 1505 OG SER A 93 6.447 -15.494 -0.883 1.00 1.98 O ATOM 0 H SER A 93 4.146 -15.793 -2.157 1.00 1.66 H new ATOM 0 HA SER A 93 5.240 -17.863 -0.703 1.00 1.77 H new ATOM 0 HB2 SER A 93 4.725 -14.952 0.096 1.00 1.65 H new ATOM 0 HB3 SER A 93 5.785 -16.027 0.986 1.00 1.65 H new ATOM 0 HG SER A 93 6.094 -15.017 -1.663 1.00 1.98 H new ATOM 1511 N LYS A 94 2.315 -17.095 0.460 1.00 1.73 N ATOM 1512 CA LYS A 94 1.318 -17.503 1.445 1.00 1.84 C ATOM 1513 C LYS A 94 -0.060 -17.598 0.810 1.00 1.75 C ATOM 1514 O LYS A 94 -0.520 -18.685 0.473 1.00 2.05 O ATOM 1515 CB LYS A 94 1.301 -16.537 2.636 1.00 1.74 C ATOM 1516 CG LYS A 94 0.744 -17.137 3.926 1.00 2.03 C ATOM 1517 CD LYS A 94 -0.775 -17.250 3.917 1.00 2.19 C ATOM 1518 CE LYS A 94 -1.284 -17.936 5.174 1.00 2.42 C ATOM 1519 NZ LYS A 94 -2.770 -18.015 5.222 1.00 2.66 N ATOM 0 H LYS A 94 1.951 -16.539 -0.314 1.00 1.73 H new ATOM 0 HA LYS A 94 1.592 -18.492 1.814 1.00 1.84 H new ATOM 0 HB2 LYS A 94 2.317 -16.189 2.821 1.00 1.74 H new ATOM 0 HB3 LYS A 94 0.708 -15.662 2.370 1.00 1.74 H new ATOM 0 HG2 LYS A 94 1.176 -18.126 4.078 1.00 2.03 H new ATOM 0 HG3 LYS A 94 1.053 -16.521 4.771 1.00 2.03 H new ATOM 0 HD2 LYS A 94 -1.215 -16.256 3.839 1.00 2.19 H new ATOM 0 HD3 LYS A 94 -1.095 -17.811 3.039 1.00 2.19 H new ATOM 0 HE2 LYS A 94 -0.869 -18.942 5.228 1.00 2.42 H new ATOM 0 HE3 LYS A 94 -0.924 -17.395 6.049 1.00 2.42 H new ATOM 0 HZ1 LYS A 94 -3.059 -18.648 5.995 1.00 2.66 H new ATOM 0 HZ2 LYS A 94 -3.163 -17.066 5.386 1.00 2.66 H new ATOM 0 HZ3 LYS A 94 -3.127 -18.386 4.319 1.00 2.66 H new ATOM 1533 N GLU A 95 -0.711 -16.460 0.648 1.00 1.51 N ATOM 1534 CA GLU A 95 -2.054 -16.438 0.098 1.00 1.57 C ATOM 1535 C GLU A 95 -2.276 -15.164 -0.693 1.00 1.40 C ATOM 1536 O GLU A 95 -2.476 -15.192 -1.905 1.00 1.80 O ATOM 1537 CB GLU A 95 -3.082 -16.524 1.228 1.00 1.57 C ATOM 1538 CG GLU A 95 -4.519 -16.602 0.749 1.00 1.70 C ATOM 1539 CD GLU A 95 -4.824 -17.908 0.051 1.00 2.39 C ATOM 1540 OE1 GLU A 95 -4.958 -18.939 0.739 1.00 2.68 O ATOM 1541 OE2 GLU A 95 -4.921 -17.905 -1.195 1.00 3.16 O ATOM 0 H GLU A 95 -0.334 -15.543 0.888 1.00 1.51 H new ATOM 0 HA GLU A 95 -2.173 -17.295 -0.565 1.00 1.57 H new ATOM 0 HB2 GLU A 95 -2.865 -17.401 1.837 1.00 1.57 H new ATOM 0 HB3 GLU A 95 -2.971 -15.652 1.873 1.00 1.57 H new ATOM 0 HG2 GLU A 95 -5.190 -16.483 1.600 1.00 1.70 H new ATOM 0 HG3 GLU A 95 -4.718 -15.774 0.068 1.00 1.70 H new ATOM 1548 N LEU A 96 -2.206 -14.039 0.005 1.00 1.13 N ATOM 1549 CA LEU A 96 -2.526 -12.764 -0.583 1.00 1.44 C ATOM 1550 C LEU A 96 -1.330 -12.212 -1.318 1.00 1.40 C ATOM 1551 O LEU A 96 -1.437 -11.727 -2.437 1.00 1.87 O ATOM 1552 CB LEU A 96 -2.885 -11.789 0.528 1.00 1.74 C ATOM 1553 CG LEU A 96 -4.255 -11.975 1.195 1.00 2.31 C ATOM 1554 CD1 LEU A 96 -5.353 -12.092 0.147 1.00 2.48 C ATOM 1555 CD2 LEU A 96 -4.260 -13.182 2.123 1.00 3.10 C ATOM 0 H LEU A 96 -1.928 -13.993 0.985 1.00 1.13 H new ATOM 0 HA LEU A 96 -3.356 -12.894 -1.277 1.00 1.44 H new ATOM 0 HB2 LEU A 96 -2.119 -11.857 1.300 1.00 1.74 H new ATOM 0 HB3 LEU A 96 -2.839 -10.779 0.122 1.00 1.74 H new ATOM 0 HG LEU A 96 -4.453 -11.091 1.801 1.00 2.31 H new ATOM 0 HD11 LEU A 96 -6.315 -12.223 0.642 1.00 2.48 H new ATOM 0 HD12 LEU A 96 -5.376 -11.186 -0.458 1.00 2.48 H new ATOM 0 HD13 LEU A 96 -5.154 -12.951 -0.494 1.00 2.48 H new ATOM 0 HD21 LEU A 96 -5.244 -13.286 2.579 1.00 3.10 H new ATOM 0 HD22 LEU A 96 -4.028 -14.081 1.552 1.00 3.10 H new ATOM 0 HD23 LEU A 96 -3.511 -13.044 2.903 1.00 3.10 H new ATOM 1567 N GLY A 97 -0.181 -12.346 -0.676 1.00 1.08 N ATOM 1568 CA GLY A 97 1.027 -11.718 -1.164 1.00 1.10 C ATOM 1569 C GLY A 97 0.964 -10.213 -1.076 1.00 1.06 C ATOM 1570 O GLY A 97 1.595 -9.603 -0.222 1.00 1.72 O ATOM 0 H GLY A 97 -0.063 -12.884 0.183 1.00 1.08 H new ATOM 0 HA2 GLY A 97 1.880 -12.078 -0.588 1.00 1.10 H new ATOM 0 HA3 GLY A 97 1.194 -12.013 -2.200 1.00 1.10 H new ATOM 1574 N ALA A 98 0.141 -9.662 -1.931 1.00 0.73 N ATOM 1575 CA ALA A 98 -0.015 -8.232 -2.129 1.00 0.65 C ATOM 1576 C ALA A 98 -1.129 -8.003 -3.147 1.00 0.67 C ATOM 1577 O ALA A 98 -1.434 -8.893 -3.939 1.00 0.82 O ATOM 1578 CB ALA A 98 1.291 -7.607 -2.602 1.00 0.85 C ATOM 0 H ALA A 98 -0.466 -10.215 -2.536 1.00 0.73 H new ATOM 0 HA ALA A 98 -0.279 -7.756 -1.185 1.00 0.65 H new ATOM 0 HB1 ALA A 98 1.151 -6.535 -2.744 1.00 0.85 H new ATOM 0 HB2 ALA A 98 2.067 -7.776 -1.855 1.00 0.85 H new ATOM 0 HB3 ALA A 98 1.591 -8.062 -3.546 1.00 0.85 H new ATOM 1584 N LEU A 99 -1.738 -6.828 -3.124 1.00 0.60 N ATOM 1585 CA LEU A 99 -2.895 -6.551 -3.964 1.00 0.66 C ATOM 1586 C LEU A 99 -2.491 -6.104 -5.370 1.00 0.69 C ATOM 1587 O LEU A 99 -2.168 -6.933 -6.222 1.00 1.35 O ATOM 1588 CB LEU A 99 -3.799 -5.509 -3.299 1.00 0.68 C ATOM 1589 CG LEU A 99 -4.408 -5.935 -1.959 1.00 0.86 C ATOM 1590 CD1 LEU A 99 -5.352 -4.863 -1.440 1.00 1.34 C ATOM 1591 CD2 LEU A 99 -5.137 -7.265 -2.093 1.00 1.05 C ATOM 0 H LEU A 99 -1.450 -6.049 -2.532 1.00 0.60 H new ATOM 0 HA LEU A 99 -3.452 -7.482 -4.073 1.00 0.66 H new ATOM 0 HB2 LEU A 99 -3.223 -4.597 -3.145 1.00 0.68 H new ATOM 0 HB3 LEU A 99 -4.609 -5.262 -3.986 1.00 0.68 H new ATOM 0 HG LEU A 99 -3.597 -6.062 -1.242 1.00 0.86 H new ATOM 0 HD11 LEU A 99 -5.776 -5.182 -0.488 1.00 1.34 H new ATOM 0 HD12 LEU A 99 -4.803 -3.932 -1.300 1.00 1.34 H new ATOM 0 HD13 LEU A 99 -6.155 -4.706 -2.160 1.00 1.34 H new ATOM 0 HD21 LEU A 99 -5.561 -7.546 -1.129 1.00 1.05 H new ATOM 0 HD22 LEU A 99 -5.937 -7.169 -2.827 1.00 1.05 H new ATOM 0 HD23 LEU A 99 -4.436 -8.033 -2.419 1.00 1.05 H new ATOM 1603 N THR A 100 -2.502 -4.800 -5.617 1.00 0.95 N ATOM 1604 CA THR A 100 -2.112 -4.288 -6.920 1.00 1.06 C ATOM 1605 C THR A 100 -0.655 -3.845 -6.884 1.00 0.67 C ATOM 1606 O THR A 100 -0.116 -3.549 -5.815 1.00 0.60 O ATOM 1607 CB THR A 100 -3.021 -3.130 -7.398 1.00 1.56 C ATOM 1608 OG1 THR A 100 -2.760 -2.842 -8.778 1.00 2.07 O ATOM 1609 CG2 THR A 100 -2.807 -1.871 -6.571 1.00 2.16 C ATOM 0 H THR A 100 -2.774 -4.087 -4.940 1.00 0.95 H new ATOM 0 HA THR A 100 -2.231 -5.097 -7.641 1.00 1.06 H new ATOM 0 HB THR A 100 -4.056 -3.449 -7.273 1.00 1.56 H new ATOM 0 HG1 THR A 100 -3.340 -2.110 -9.075 1.00 2.07 H new ATOM 0 HG21 THR A 100 -3.462 -1.080 -6.936 1.00 2.16 H new ATOM 0 HG22 THR A 100 -3.036 -2.079 -5.526 1.00 2.16 H new ATOM 0 HG23 THR A 100 -1.769 -1.551 -6.658 1.00 2.16 H new ATOM 1617 N HIS A 101 -0.031 -3.791 -8.050 1.00 0.68 N ATOM 1618 CA HIS A 101 1.412 -3.626 -8.132 1.00 0.87 C ATOM 1619 C HIS A 101 1.828 -2.634 -9.198 1.00 0.71 C ATOM 1620 O HIS A 101 1.041 -2.268 -10.068 1.00 1.08 O ATOM 1621 CB HIS A 101 2.093 -4.966 -8.424 1.00 1.65 C ATOM 1622 CG HIS A 101 1.492 -5.721 -9.577 1.00 2.50 C ATOM 1623 ND1 HIS A 101 1.688 -5.378 -10.899 1.00 3.21 N ATOM 1624 CD2 HIS A 101 0.679 -6.803 -9.592 1.00 3.16 C ATOM 1625 CE1 HIS A 101 1.021 -6.214 -11.672 1.00 3.89 C ATOM 1626 NE2 HIS A 101 0.400 -7.090 -10.905 1.00 3.83 N ATOM 0 H HIS A 101 -0.501 -3.859 -8.953 1.00 0.68 H new ATOM 0 HA HIS A 101 1.727 -3.240 -7.162 1.00 0.87 H new ATOM 0 HB2 HIS A 101 3.148 -4.788 -8.631 1.00 1.65 H new ATOM 0 HB3 HIS A 101 2.044 -5.589 -7.531 1.00 1.65 H new ATOM 0 HD2 HIS A 101 0.316 -7.342 -8.729 1.00 3.16 H new ATOM 0 HE1 HIS A 101 0.989 -6.186 -12.751 1.00 3.89 H new ATOM 0 HE2 HIS A 101 -0.190 -7.854 -11.234 1.00 3.83 H new ATOM 1635 N PHE A 102 3.091 -2.237 -9.114 1.00 0.78 N ATOM 1636 CA PHE A 102 3.743 -1.404 -10.113 1.00 0.90 C ATOM 1637 C PHE A 102 5.177 -1.148 -9.664 1.00 0.85 C ATOM 1638 O PHE A 102 5.412 -0.912 -8.482 1.00 0.97 O ATOM 1639 CB PHE A 102 3.006 -0.076 -10.309 1.00 1.33 C ATOM 1640 CG PHE A 102 3.260 0.548 -11.650 1.00 1.91 C ATOM 1641 CD1 PHE A 102 2.483 0.217 -12.747 1.00 2.47 C ATOM 1642 CD2 PHE A 102 4.274 1.480 -11.807 1.00 2.71 C ATOM 1643 CE1 PHE A 102 2.714 0.801 -13.975 1.00 3.31 C ATOM 1644 CE2 PHE A 102 4.511 2.065 -13.036 1.00 3.59 C ATOM 1645 CZ PHE A 102 3.731 1.679 -14.141 1.00 3.75 C ATOM 0 H PHE A 102 3.700 -2.490 -8.336 1.00 0.78 H new ATOM 0 HA PHE A 102 3.730 -1.924 -11.071 1.00 0.90 H new ATOM 0 HB2 PHE A 102 1.935 -0.241 -10.189 1.00 1.33 H new ATOM 0 HB3 PHE A 102 3.311 0.620 -9.528 1.00 1.33 H new ATOM 0 HD1 PHE A 102 1.688 -0.506 -12.640 1.00 2.47 H new ATOM 0 HD2 PHE A 102 4.885 1.752 -10.959 1.00 2.71 H new ATOM 0 HE1 PHE A 102 2.077 0.555 -14.812 1.00 3.31 H new ATOM 0 HE2 PHE A 102 5.286 2.809 -13.147 1.00 3.59 H new ATOM 0 HZ PHE A 102 3.943 2.082 -15.120 1.00 3.75 H new ATOM 1655 N ALA A 103 6.121 -1.215 -10.601 1.00 0.85 N ATOM 1656 CA ALA A 103 7.545 -1.083 -10.282 1.00 0.92 C ATOM 1657 C ALA A 103 7.839 0.233 -9.571 1.00 1.01 C ATOM 1658 O ALA A 103 8.357 0.243 -8.456 1.00 1.27 O ATOM 1659 CB ALA A 103 8.384 -1.205 -11.543 1.00 1.00 C ATOM 0 H ALA A 103 5.926 -1.360 -11.592 1.00 0.85 H new ATOM 0 HA ALA A 103 7.810 -1.893 -9.603 1.00 0.92 H new ATOM 0 HB1 ALA A 103 9.439 -1.105 -11.289 1.00 1.00 H new ATOM 0 HB2 ALA A 103 8.212 -2.179 -12.002 1.00 1.00 H new ATOM 0 HB3 ALA A 103 8.103 -0.419 -12.244 1.00 1.00 H new ATOM 1733 N ILE A 108 0.607 11.496 -7.770 1.00 1.00 N ATOM 1734 CA ILE A 108 -0.331 11.681 -6.669 1.00 0.93 C ATOM 1735 C ILE A 108 -1.762 11.442 -7.129 1.00 0.89 C ATOM 1736 O ILE A 108 -2.547 10.778 -6.447 1.00 0.79 O ATOM 1737 CB ILE A 108 -0.209 13.079 -6.007 1.00 1.00 C ATOM 1738 CG1 ILE A 108 0.478 14.096 -6.930 1.00 0.97 C ATOM 1739 CG2 ILE A 108 0.546 12.969 -4.693 1.00 1.25 C ATOM 1740 CD1 ILE A 108 -0.342 14.499 -8.136 1.00 1.29 C ATOM 0 HA ILE A 108 -0.069 10.941 -5.913 1.00 0.93 H new ATOM 0 HB ILE A 108 -1.219 13.442 -5.817 1.00 1.00 H new ATOM 0 HG12 ILE A 108 0.716 14.989 -6.353 1.00 0.97 H new ATOM 0 HG13 ILE A 108 1.424 13.676 -7.273 1.00 0.97 H new ATOM 0 HG21 ILE A 108 0.627 13.955 -4.236 1.00 1.25 H new ATOM 0 HG22 ILE A 108 0.010 12.300 -4.020 1.00 1.25 H new ATOM 0 HG23 ILE A 108 1.544 12.573 -4.879 1.00 1.25 H new ATOM 0 HD11 ILE A 108 0.218 15.219 -8.733 1.00 1.29 H new ATOM 0 HD12 ILE A 108 -0.559 13.618 -8.740 1.00 1.29 H new ATOM 0 HD13 ILE A 108 -1.277 14.951 -7.806 1.00 1.29 H new ATOM 1752 N ASP A 109 -2.062 11.914 -8.325 1.00 1.01 N ATOM 1753 CA ASP A 109 -3.396 11.798 -8.878 1.00 1.07 C ATOM 1754 C ASP A 109 -3.718 10.336 -9.153 1.00 1.02 C ATOM 1755 O ASP A 109 -4.813 9.865 -8.858 1.00 1.00 O ATOM 1756 CB ASP A 109 -3.500 12.613 -10.157 1.00 1.27 C ATOM 1757 CG ASP A 109 -4.934 12.941 -10.510 1.00 1.57 C ATOM 1758 OD1 ASP A 109 -5.514 13.845 -9.886 1.00 1.84 O ATOM 1759 OD2 ASP A 109 -5.493 12.279 -11.414 1.00 1.92 O ATOM 0 H ASP A 109 -1.393 12.384 -8.935 1.00 1.01 H new ATOM 0 HA ASP A 109 -4.117 12.185 -8.158 1.00 1.07 H new ATOM 0 HB2 ASP A 109 -2.935 13.538 -10.043 1.00 1.27 H new ATOM 0 HB3 ASP A 109 -3.043 12.059 -10.977 1.00 1.27 H new ATOM 1764 N GLU A 110 -2.744 9.622 -9.701 1.00 1.04 N ATOM 1765 CA GLU A 110 -2.865 8.187 -9.911 1.00 1.04 C ATOM 1766 C GLU A 110 -3.013 7.451 -8.580 1.00 0.93 C ATOM 1767 O GLU A 110 -3.650 6.407 -8.517 1.00 0.95 O ATOM 1768 CB GLU A 110 -1.648 7.652 -10.675 1.00 1.14 C ATOM 1769 CG GLU A 110 -1.712 6.160 -10.970 1.00 1.12 C ATOM 1770 CD GLU A 110 -0.608 5.696 -11.898 1.00 1.57 C ATOM 1771 OE1 GLU A 110 -0.572 6.165 -13.055 1.00 2.06 O ATOM 1772 OE2 GLU A 110 0.213 4.846 -11.487 1.00 2.07 O ATOM 0 H GLU A 110 -1.856 10.017 -10.010 1.00 1.04 H new ATOM 0 HA GLU A 110 -3.761 8.008 -10.505 1.00 1.04 H new ATOM 0 HB2 GLU A 110 -1.555 8.195 -11.616 1.00 1.14 H new ATOM 0 HB3 GLU A 110 -0.748 7.860 -10.096 1.00 1.14 H new ATOM 0 HG2 GLU A 110 -1.649 5.606 -10.033 1.00 1.12 H new ATOM 0 HG3 GLU A 110 -2.678 5.924 -11.416 1.00 1.12 H new ATOM 1779 N ILE A 111 -2.456 8.009 -7.508 1.00 0.83 N ATOM 1780 CA ILE A 111 -2.501 7.357 -6.214 1.00 0.75 C ATOM 1781 C ILE A 111 -3.915 7.415 -5.656 1.00 0.70 C ATOM 1782 O ILE A 111 -4.489 6.387 -5.294 1.00 0.71 O ATOM 1783 CB ILE A 111 -1.499 8.007 -5.238 1.00 0.76 C ATOM 1784 CG1 ILE A 111 -0.061 7.697 -5.664 1.00 1.24 C ATOM 1785 CG2 ILE A 111 -1.743 7.538 -3.812 1.00 0.75 C ATOM 1786 CD1 ILE A 111 0.281 6.220 -5.651 1.00 1.61 C ATOM 0 H ILE A 111 -1.972 8.907 -7.515 1.00 0.83 H new ATOM 0 HA ILE A 111 -2.215 6.312 -6.337 1.00 0.75 H new ATOM 0 HB ILE A 111 -1.648 9.086 -5.269 1.00 0.76 H new ATOM 0 HG12 ILE A 111 0.102 8.088 -6.668 1.00 1.24 H new ATOM 0 HG13 ILE A 111 0.625 8.224 -5.001 1.00 1.24 H new ATOM 0 HG21 ILE A 111 -1.023 8.012 -3.145 1.00 0.75 H new ATOM 0 HG22 ILE A 111 -2.753 7.810 -3.507 1.00 0.75 H new ATOM 0 HG23 ILE A 111 -1.628 6.455 -3.760 1.00 0.75 H new ATOM 0 HD11 ILE A 111 1.316 6.083 -5.965 1.00 1.61 H new ATOM 0 HD12 ILE A 111 0.152 5.826 -4.643 1.00 1.61 H new ATOM 0 HD13 ILE A 111 -0.379 5.688 -6.336 1.00 1.61 H new ATOM 1798 N ARG A 112 -4.497 8.610 -5.637 1.00 0.72 N ATOM 1799 CA ARG A 112 -5.870 8.766 -5.178 1.00 0.75 C ATOM 1800 C ARG A 112 -6.820 7.992 -6.090 1.00 0.81 C ATOM 1801 O ARG A 112 -7.756 7.337 -5.627 1.00 0.85 O ATOM 1802 CB ARG A 112 -6.276 10.247 -5.121 1.00 0.85 C ATOM 1803 CG ARG A 112 -6.209 10.969 -6.452 1.00 1.09 C ATOM 1804 CD ARG A 112 -6.906 12.316 -6.382 1.00 1.50 C ATOM 1805 NE ARG A 112 -6.244 13.240 -5.462 1.00 1.51 N ATOM 1806 CZ ARG A 112 -5.433 14.224 -5.847 1.00 1.75 C ATOM 1807 NH1 ARG A 112 -5.159 14.403 -7.135 1.00 2.13 N ATOM 1808 NH2 ARG A 112 -4.897 15.041 -4.947 1.00 2.25 N ATOM 0 H ARG A 112 -4.044 9.475 -5.931 1.00 0.72 H new ATOM 0 HA ARG A 112 -5.936 8.362 -4.168 1.00 0.75 H new ATOM 0 HB2 ARG A 112 -7.293 10.317 -4.735 1.00 0.85 H new ATOM 0 HB3 ARG A 112 -5.629 10.761 -4.410 1.00 0.85 H new ATOM 0 HG2 ARG A 112 -5.167 11.110 -6.740 1.00 1.09 H new ATOM 0 HG3 ARG A 112 -6.673 10.356 -7.225 1.00 1.09 H new ATOM 0 HD2 ARG A 112 -6.936 12.758 -7.378 1.00 1.50 H new ATOM 0 HD3 ARG A 112 -7.939 12.171 -6.066 1.00 1.50 H new ATOM 0 HE ARG A 112 -6.414 13.124 -4.463 1.00 1.51 H new ATOM 0 HH11 ARG A 112 -5.570 13.785 -7.835 1.00 2.13 H new ATOM 0 HH12 ARG A 112 -4.537 15.158 -7.424 1.00 2.13 H new ATOM 0 HH21 ARG A 112 -5.106 14.916 -3.956 1.00 2.25 H new ATOM 0 HH22 ARG A 112 -4.276 15.793 -5.247 1.00 2.25 H new ATOM 1822 N ASP A 113 -6.547 8.045 -7.388 1.00 0.86 N ATOM 1823 CA ASP A 113 -7.401 7.413 -8.379 1.00 0.94 C ATOM 1824 C ASP A 113 -7.363 5.897 -8.252 1.00 0.93 C ATOM 1825 O ASP A 113 -8.402 5.248 -8.213 1.00 0.98 O ATOM 1826 CB ASP A 113 -6.973 7.838 -9.783 1.00 1.05 C ATOM 1827 CG ASP A 113 -7.884 7.295 -10.863 1.00 1.17 C ATOM 1828 OD1 ASP A 113 -9.118 7.445 -10.736 1.00 1.32 O ATOM 1829 OD2 ASP A 113 -7.374 6.732 -11.853 1.00 1.23 O ATOM 0 H ASP A 113 -5.735 8.523 -7.778 1.00 0.86 H new ATOM 0 HA ASP A 113 -8.426 7.738 -8.203 1.00 0.94 H new ATOM 0 HB2 ASP A 113 -6.958 8.926 -9.840 1.00 1.05 H new ATOM 0 HB3 ASP A 113 -5.955 7.496 -9.967 1.00 1.05 H new ATOM 1834 N ALA A 114 -6.168 5.339 -8.157 1.00 0.92 N ATOM 1835 CA ALA A 114 -6.010 3.896 -8.096 1.00 0.95 C ATOM 1836 C ALA A 114 -6.523 3.321 -6.783 1.00 0.91 C ATOM 1837 O ALA A 114 -7.039 2.212 -6.766 1.00 0.95 O ATOM 1838 CB ALA A 114 -4.557 3.508 -8.315 1.00 1.03 C ATOM 0 H ALA A 114 -5.294 5.863 -8.120 1.00 0.92 H new ATOM 0 HA ALA A 114 -6.614 3.470 -8.897 1.00 0.95 H new ATOM 0 HB1 ALA A 114 -4.459 2.424 -8.266 1.00 1.03 H new ATOM 0 HB2 ALA A 114 -4.231 3.858 -9.294 1.00 1.03 H new ATOM 0 HB3 ALA A 114 -3.938 3.964 -7.542 1.00 1.03 H new ATOM 1844 N VAL A 115 -6.396 4.056 -5.683 1.00 0.89 N ATOM 1845 CA VAL A 115 -6.880 3.540 -4.408 1.00 1.01 C ATOM 1846 C VAL A 115 -8.407 3.629 -4.327 1.00 1.06 C ATOM 1847 O VAL A 115 -9.043 2.815 -3.665 1.00 1.17 O ATOM 1848 CB VAL A 115 -6.252 4.249 -3.182 1.00 1.14 C ATOM 1849 CG1 VAL A 115 -4.740 4.088 -3.183 1.00 1.83 C ATOM 1850 CG2 VAL A 115 -6.638 5.720 -3.126 1.00 1.13 C ATOM 0 H VAL A 115 -5.975 4.984 -5.646 1.00 0.89 H new ATOM 0 HA VAL A 115 -6.568 2.496 -4.372 1.00 1.01 H new ATOM 0 HB VAL A 115 -6.650 3.771 -2.287 1.00 1.14 H new ATOM 0 HG11 VAL A 115 -4.320 4.593 -2.314 1.00 1.83 H new ATOM 0 HG12 VAL A 115 -4.487 3.029 -3.144 1.00 1.83 H new ATOM 0 HG13 VAL A 115 -4.328 4.526 -4.092 1.00 1.83 H new ATOM 0 HG21 VAL A 115 -6.179 6.184 -2.253 1.00 1.13 H new ATOM 0 HG22 VAL A 115 -6.290 6.222 -4.029 1.00 1.13 H new ATOM 0 HG23 VAL A 115 -7.722 5.809 -3.056 1.00 1.13 H new ATOM 1860 N LYS A 116 -9.000 4.620 -5.002 1.00 1.06 N ATOM 1861 CA LYS A 116 -10.457 4.743 -5.025 1.00 1.22 C ATOM 1862 C LYS A 116 -11.055 3.820 -6.087 1.00 1.24 C ATOM 1863 O LYS A 116 -12.218 3.420 -5.992 1.00 1.48 O ATOM 1864 CB LYS A 116 -10.891 6.197 -5.277 1.00 1.30 C ATOM 1865 CG LYS A 116 -10.637 6.687 -6.694 1.00 2.03 C ATOM 1866 CD LYS A 116 -11.045 8.142 -6.869 1.00 2.39 C ATOM 1867 CE LYS A 116 -10.851 8.604 -8.305 1.00 3.01 C ATOM 1868 NZ LYS A 116 -11.687 7.828 -9.261 1.00 3.72 N ATOM 0 H LYS A 116 -8.502 5.336 -5.530 1.00 1.06 H new ATOM 0 HA LYS A 116 -10.832 4.444 -4.046 1.00 1.22 H new ATOM 0 HB2 LYS A 116 -11.955 6.290 -5.058 1.00 1.30 H new ATOM 0 HB3 LYS A 116 -10.364 6.848 -4.580 1.00 1.30 H new ATOM 0 HG2 LYS A 116 -9.580 6.574 -6.934 1.00 2.03 H new ATOM 0 HG3 LYS A 116 -11.191 6.067 -7.398 1.00 2.03 H new ATOM 0 HD2 LYS A 116 -12.090 8.265 -6.584 1.00 2.39 H new ATOM 0 HD3 LYS A 116 -10.456 8.770 -6.201 1.00 2.39 H new ATOM 0 HE2 LYS A 116 -11.101 9.662 -8.382 1.00 3.01 H new ATOM 0 HE3 LYS A 116 -9.801 8.504 -8.579 1.00 3.01 H new ATOM 0 HZ1 LYS A 116 -11.073 7.244 -9.865 1.00 3.72 H new ATOM 0 HZ2 LYS A 116 -12.339 7.213 -8.733 1.00 3.72 H new ATOM 0 HZ3 LYS A 116 -12.234 8.483 -9.855 1.00 3.72 H new ATOM 1882 N LYS A 117 -10.263 3.498 -7.107 1.00 1.07 N ATOM 1883 CA LYS A 117 -10.687 2.568 -8.146 1.00 1.13 C ATOM 1884 C LYS A 117 -10.512 1.129 -7.685 1.00 1.02 C ATOM 1885 O LYS A 117 -11.407 0.300 -7.838 1.00 1.07 O ATOM 1886 CB LYS A 117 -9.898 2.795 -9.442 1.00 1.24 C ATOM 1887 CG LYS A 117 -10.389 3.979 -10.261 1.00 1.58 C ATOM 1888 CD LYS A 117 -11.848 3.826 -10.683 1.00 2.03 C ATOM 1889 CE LYS A 117 -12.058 2.698 -11.694 1.00 2.71 C ATOM 1890 NZ LYS A 117 -12.060 1.348 -11.063 1.00 3.47 N ATOM 0 H LYS A 117 -9.322 3.870 -7.235 1.00 1.07 H new ATOM 0 HA LYS A 117 -11.743 2.752 -8.342 1.00 1.13 H new ATOM 0 HB2 LYS A 117 -8.847 2.947 -9.195 1.00 1.24 H new ATOM 0 HB3 LYS A 117 -9.954 1.894 -10.053 1.00 1.24 H new ATOM 0 HG2 LYS A 117 -10.276 4.893 -9.678 1.00 1.58 H new ATOM 0 HG3 LYS A 117 -9.766 4.087 -11.149 1.00 1.58 H new ATOM 0 HD2 LYS A 117 -12.458 3.635 -9.800 1.00 2.03 H new ATOM 0 HD3 LYS A 117 -12.197 4.764 -11.115 1.00 2.03 H new ATOM 0 HE2 LYS A 117 -13.004 2.853 -12.212 1.00 2.71 H new ATOM 0 HE3 LYS A 117 -11.271 2.741 -12.447 1.00 2.71 H new ATOM 0 HZ1 LYS A 117 -11.176 0.854 -11.298 1.00 3.47 H new ATOM 0 HZ2 LYS A 117 -12.137 1.447 -10.031 1.00 3.47 H new ATOM 0 HZ3 LYS A 117 -12.869 0.800 -11.419 1.00 3.47 H new ATOM 1904 N TYR A 118 -9.361 0.844 -7.109 1.00 0.95 N ATOM 1905 CA TYR A 118 -9.051 -0.494 -6.647 1.00 0.95 C ATOM 1906 C TYR A 118 -9.493 -0.663 -5.190 1.00 1.19 C ATOM 1907 O TYR A 118 -8.724 -1.037 -4.307 1.00 1.58 O ATOM 1908 CB TYR A 118 -7.557 -0.774 -6.833 1.00 1.75 C ATOM 1909 CG TYR A 118 -7.148 -2.169 -6.445 1.00 1.89 C ATOM 1910 CD1 TYR A 118 -7.594 -3.271 -7.159 1.00 1.87 C ATOM 1911 CD2 TYR A 118 -6.339 -2.376 -5.345 1.00 2.44 C ATOM 1912 CE1 TYR A 118 -7.235 -4.548 -6.783 1.00 2.31 C ATOM 1913 CE2 TYR A 118 -5.981 -3.641 -4.958 1.00 2.86 C ATOM 1914 CZ TYR A 118 -6.430 -4.730 -5.679 1.00 2.77 C ATOM 1915 OH TYR A 118 -6.080 -6.004 -5.291 1.00 3.35 O ATOM 0 H TYR A 118 -8.620 1.527 -6.949 1.00 0.95 H new ATOM 0 HA TYR A 118 -9.600 -1.225 -7.240 1.00 0.95 H new ATOM 0 HB2 TYR A 118 -7.292 -0.605 -7.877 1.00 1.75 H new ATOM 0 HB3 TYR A 118 -6.986 -0.060 -6.240 1.00 1.75 H new ATOM 0 HD1 TYR A 118 -8.230 -3.127 -8.020 1.00 1.87 H new ATOM 0 HD2 TYR A 118 -5.983 -1.527 -4.780 1.00 2.44 H new ATOM 0 HE1 TYR A 118 -7.582 -5.400 -7.349 1.00 2.31 H new ATOM 0 HE2 TYR A 118 -5.351 -3.786 -4.093 1.00 2.86 H new ATOM 0 HH TYR A 118 -6.045 -6.588 -6.078 1.00 3.35 H new