USER MOD reduce.3.24.130724 H: found=0, std=0, add=980, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 981 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 44 THR OG1 : rot 32:sc= -0.552 USER MOD Set 1.2: A 69 MET CE :methyl -111:sc= -13.7! (180deg=-17.7!) USER MOD Set 2.1: A 20 ASN : amide:sc= 0.624 K(o=-8.7,f=-1.2) USER MOD Set 2.2: A 24 ASN : amide:sc= -8.03! K(o=-8.7!,f=0.34) USER MOD Set 2.3: A 30 THR OG1 : rot 86:sc= -1.27 USER MOD Single : A 5 LYS NZ :NH3+ -170:sc= 1.44 (180deg=1.32) USER MOD Single : A 12 GLN : amide:sc= -0.125 X(o=-0.12,f=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 TYR OH : rot -153:sc= -1.96! USER MOD Single : A 29 GLN : amide:sc= -0.192 K(o=-0.19,f=-0.96) USER MOD Single : A 32 GLN : amide:sc= 1.14 K(o=1.1,f=-11!) USER MOD Single : A 35 ASN : amide:sc= -0.165 K(o=-0.17,f=-4.6!) USER MOD Single : A 38 GLN : amide:sc= 0.542 K(o=0.54,f=-7.7!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 MET CE :methyl -163:sc= -1.29 (180deg=-2.71) USER MOD Single : A 56 LYS NZ :NH3+ 178:sc= 1.29 (180deg=1.16) USER MOD Single : A 60 MET CE :methyl -163:sc= -0.136 (180deg=-0.534) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= -1.78! K(o=-1.8!,f=-0.25) USER MOD Single : A 81 MET CE :methyl -173:sc= -0.0413 (180deg=-0.172) USER MOD Single : A 82 THR OG1 : rot -80:sc= -1.06 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 MET CE :methyl 152:sc= -0.316 (180deg=-1.1) USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 SER OG : rot 120:sc= -0.0213 USER MOD Single : A 94 LYS NZ :NH3+ -168:sc= -0.0168 (180deg=-0.176) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0.587 USER MOD Single : A 101 HIS : no HD1:sc= -0.339 X(o=-0.34,f=-0.01) USER MOD Single : A 104 LYS NZ :NH3+ 167:sc= 2.18 (180deg=2) USER MOD Single : A 116 LYS NZ :NH3+ 154:sc= 0.583 (180deg=0.172) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 TYR OH : rot 180:sc= -0.845 USER MOD ----------------------------------------------------------------- ATOM 51 N GLU A 4 6.157 -11.721 -1.758 1.00 0.63 N ATOM 52 CA GLU A 4 5.954 -10.430 -1.131 1.00 0.52 C ATOM 53 C GLU A 4 5.313 -9.452 -2.114 1.00 0.40 C ATOM 54 O GLU A 4 5.990 -8.732 -2.849 1.00 0.47 O ATOM 55 CB GLU A 4 7.275 -9.886 -0.566 1.00 0.62 C ATOM 56 CG GLU A 4 8.418 -9.794 -1.569 1.00 1.08 C ATOM 57 CD GLU A 4 8.992 -11.131 -1.978 1.00 1.31 C ATOM 58 OE1 GLU A 4 9.771 -11.711 -1.197 1.00 1.51 O ATOM 59 OE2 GLU A 4 8.641 -11.625 -3.063 1.00 1.90 O ATOM 0 HA GLU A 4 5.268 -10.553 -0.293 1.00 0.52 H new ATOM 0 HB2 GLU A 4 7.094 -8.894 -0.153 1.00 0.62 H new ATOM 0 HB3 GLU A 4 7.588 -10.523 0.261 1.00 0.62 H new ATOM 0 HG2 GLU A 4 8.064 -9.275 -2.460 1.00 1.08 H new ATOM 0 HG3 GLU A 4 9.214 -9.185 -1.141 1.00 1.08 H new ATOM 66 N LYS A 5 3.992 -9.465 -2.134 1.00 0.31 N ATOM 67 CA LYS A 5 3.232 -8.693 -3.101 1.00 0.26 C ATOM 68 C LYS A 5 2.640 -7.434 -2.476 1.00 0.21 C ATOM 69 O LYS A 5 2.448 -7.359 -1.266 1.00 0.21 O ATOM 70 CB LYS A 5 2.123 -9.545 -3.679 1.00 0.29 C ATOM 71 CG LYS A 5 1.625 -9.038 -5.013 1.00 0.34 C ATOM 72 CD LYS A 5 0.117 -9.038 -5.062 1.00 0.39 C ATOM 73 CE LYS A 5 -0.429 -10.449 -5.021 1.00 0.39 C ATOM 74 NZ LYS A 5 -0.188 -11.186 -6.296 1.00 0.56 N ATOM 0 H LYS A 5 3.420 -10.006 -1.486 1.00 0.31 H new ATOM 0 HA LYS A 5 3.915 -8.386 -3.893 1.00 0.26 H new ATOM 0 HB2 LYS A 5 2.481 -10.568 -3.796 1.00 0.29 H new ATOM 0 HB3 LYS A 5 1.292 -9.577 -2.975 1.00 0.29 H new ATOM 0 HG2 LYS A 5 1.998 -8.028 -5.185 1.00 0.34 H new ATOM 0 HG3 LYS A 5 2.019 -9.664 -5.814 1.00 0.34 H new ATOM 0 HD2 LYS A 5 -0.277 -8.467 -4.221 1.00 0.39 H new ATOM 0 HD3 LYS A 5 -0.221 -8.540 -5.971 1.00 0.39 H new ATOM 0 HE2 LYS A 5 0.034 -10.992 -4.197 1.00 0.39 H new ATOM 0 HE3 LYS A 5 -1.500 -10.416 -4.819 1.00 0.39 H new ATOM 0 HZ1 LYS A 5 -0.721 -12.079 -6.287 1.00 0.56 H new ATOM 0 HZ2 LYS A 5 -0.502 -10.603 -7.098 1.00 0.56 H new ATOM 0 HZ3 LYS A 5 0.827 -11.390 -6.392 1.00 0.56 H new ATOM 88 N ILE A 6 2.357 -6.457 -3.322 1.00 0.21 N ATOM 89 CA ILE A 6 1.755 -5.206 -2.890 1.00 0.20 C ATOM 90 C ILE A 6 0.466 -4.927 -3.661 1.00 0.23 C ATOM 91 O ILE A 6 0.406 -5.110 -4.872 1.00 0.40 O ATOM 92 CB ILE A 6 2.740 -4.031 -3.074 1.00 0.20 C ATOM 93 CG1 ILE A 6 3.910 -4.169 -2.096 1.00 0.22 C ATOM 94 CG2 ILE A 6 2.039 -2.691 -2.901 1.00 0.21 C ATOM 95 CD1 ILE A 6 4.931 -3.058 -2.202 1.00 0.27 C ATOM 0 H ILE A 6 2.537 -6.508 -4.325 1.00 0.21 H new ATOM 0 HA ILE A 6 1.516 -5.302 -1.831 1.00 0.20 H new ATOM 0 HB ILE A 6 3.130 -4.065 -4.091 1.00 0.20 H new ATOM 0 HG12 ILE A 6 3.519 -4.195 -1.079 1.00 0.22 H new ATOM 0 HG13 ILE A 6 4.406 -5.123 -2.271 1.00 0.22 H new ATOM 0 HG21 ILE A 6 2.759 -1.884 -3.036 1.00 0.21 H new ATOM 0 HG22 ILE A 6 1.245 -2.597 -3.642 1.00 0.21 H new ATOM 0 HG23 ILE A 6 1.611 -2.631 -1.901 1.00 0.21 H new ATOM 0 HD11 ILE A 6 5.728 -3.226 -1.478 1.00 0.27 H new ATOM 0 HD12 ILE A 6 5.351 -3.045 -3.208 1.00 0.27 H new ATOM 0 HD13 ILE A 6 4.450 -2.101 -1.997 1.00 0.27 H new ATOM 107 N LEU A 7 -0.568 -4.507 -2.950 1.00 0.11 N ATOM 108 CA LEU A 7 -1.827 -4.112 -3.572 1.00 0.11 C ATOM 109 C LEU A 7 -1.931 -2.598 -3.597 1.00 0.14 C ATOM 110 O LEU A 7 -1.544 -1.934 -2.644 1.00 0.29 O ATOM 111 CB LEU A 7 -3.004 -4.715 -2.805 1.00 0.11 C ATOM 112 CG LEU A 7 -3.458 -6.073 -3.314 1.00 0.14 C ATOM 113 CD1 LEU A 7 -4.536 -6.634 -2.425 1.00 0.15 C ATOM 114 CD2 LEU A 7 -3.963 -5.947 -4.736 1.00 0.17 C ATOM 0 H LEU A 7 -0.562 -4.430 -1.933 1.00 0.11 H new ATOM 0 HA LEU A 7 -1.855 -4.485 -4.596 1.00 0.11 H new ATOM 0 HB2 LEU A 7 -2.727 -4.809 -1.755 1.00 0.11 H new ATOM 0 HB3 LEU A 7 -3.845 -4.023 -2.853 1.00 0.11 H new ATOM 0 HG LEU A 7 -2.609 -6.756 -3.299 1.00 0.14 H new ATOM 0 HD11 LEU A 7 -4.850 -7.607 -2.803 1.00 0.15 H new ATOM 0 HD12 LEU A 7 -4.150 -6.746 -1.412 1.00 0.15 H new ATOM 0 HD13 LEU A 7 -5.389 -5.956 -2.415 1.00 0.15 H new ATOM 0 HD21 LEU A 7 -4.287 -6.924 -5.095 1.00 0.17 H new ATOM 0 HD22 LEU A 7 -4.803 -5.253 -4.764 1.00 0.17 H new ATOM 0 HD23 LEU A 7 -3.163 -5.573 -5.375 1.00 0.17 H new ATOM 126 N ILE A 8 -2.424 -2.052 -4.692 1.00 0.08 N ATOM 127 CA ILE A 8 -2.507 -0.608 -4.853 1.00 0.08 C ATOM 128 C ILE A 8 -3.904 -0.182 -5.285 1.00 0.08 C ATOM 129 O ILE A 8 -4.315 -0.410 -6.425 1.00 0.10 O ATOM 130 CB ILE A 8 -1.479 -0.126 -5.886 1.00 0.10 C ATOM 131 CG1 ILE A 8 -0.075 -0.524 -5.438 1.00 0.11 C ATOM 132 CG2 ILE A 8 -1.578 1.382 -6.064 1.00 0.12 C ATOM 133 CD1 ILE A 8 0.939 -0.509 -6.553 1.00 0.12 C ATOM 0 H ILE A 8 -2.775 -2.586 -5.487 1.00 0.08 H new ATOM 0 HA ILE A 8 -2.289 -0.153 -3.887 1.00 0.08 H new ATOM 0 HB ILE A 8 -1.688 -0.597 -6.847 1.00 0.10 H new ATOM 0 HG12 ILE A 8 0.253 0.155 -4.651 1.00 0.11 H new ATOM 0 HG13 ILE A 8 -0.110 -1.523 -5.003 1.00 0.11 H new ATOM 0 HG21 ILE A 8 -0.843 1.711 -6.799 1.00 0.12 H new ATOM 0 HG22 ILE A 8 -2.579 1.643 -6.409 1.00 0.12 H new ATOM 0 HG23 ILE A 8 -1.383 1.874 -5.111 1.00 0.12 H new ATOM 0 HD11 ILE A 8 1.914 -0.802 -6.162 1.00 0.12 H new ATOM 0 HD12 ILE A 8 0.635 -1.209 -7.331 1.00 0.12 H new ATOM 0 HD13 ILE A 8 1.003 0.495 -6.973 1.00 0.12 H new ATOM 145 N VAL A 9 -4.643 0.420 -4.370 1.00 0.09 N ATOM 146 CA VAL A 9 -5.971 0.902 -4.677 1.00 0.10 C ATOM 147 C VAL A 9 -5.916 2.314 -5.281 1.00 0.14 C ATOM 148 O VAL A 9 -5.549 3.270 -4.609 1.00 0.17 O ATOM 149 CB VAL A 9 -6.856 0.903 -3.414 1.00 0.11 C ATOM 150 CG1 VAL A 9 -8.201 1.553 -3.691 1.00 0.14 C ATOM 151 CG2 VAL A 9 -7.044 -0.521 -2.901 1.00 0.11 C ATOM 0 H VAL A 9 -4.343 0.585 -3.409 1.00 0.09 H new ATOM 0 HA VAL A 9 -6.409 0.227 -5.412 1.00 0.10 H new ATOM 0 HB VAL A 9 -6.353 1.489 -2.645 1.00 0.11 H new ATOM 0 HG11 VAL A 9 -8.805 1.540 -2.784 1.00 0.14 H new ATOM 0 HG12 VAL A 9 -8.048 2.584 -4.011 1.00 0.14 H new ATOM 0 HG13 VAL A 9 -8.716 1.002 -4.478 1.00 0.14 H new ATOM 0 HG21 VAL A 9 -7.671 -0.507 -2.009 1.00 0.11 H new ATOM 0 HG22 VAL A 9 -7.523 -1.125 -3.671 1.00 0.11 H new ATOM 0 HG23 VAL A 9 -6.073 -0.950 -2.655 1.00 0.11 H new ATOM 161 N ASP A 10 -6.246 2.416 -6.565 1.00 0.17 N ATOM 162 CA ASP A 10 -6.372 3.693 -7.259 1.00 0.21 C ATOM 163 C ASP A 10 -7.418 3.584 -8.371 1.00 0.24 C ATOM 164 O ASP A 10 -7.608 2.515 -8.949 1.00 0.38 O ATOM 165 CB ASP A 10 -5.038 4.124 -7.868 1.00 0.23 C ATOM 166 CG ASP A 10 -5.183 5.379 -8.701 1.00 0.76 C ATOM 167 OD1 ASP A 10 -5.688 6.401 -8.178 1.00 0.78 O ATOM 168 OD2 ASP A 10 -4.798 5.344 -9.887 1.00 1.27 O ATOM 0 H ASP A 10 -6.435 1.608 -7.158 1.00 0.17 H new ATOM 0 HA ASP A 10 -6.682 4.440 -6.529 1.00 0.21 H new ATOM 0 HB2 ASP A 10 -4.314 4.297 -7.072 1.00 0.23 H new ATOM 0 HB3 ASP A 10 -4.644 3.319 -8.488 1.00 0.23 H new ATOM 173 N ASP A 11 -8.095 4.682 -8.668 1.00 0.29 N ATOM 174 CA ASP A 11 -9.107 4.692 -9.722 1.00 0.30 C ATOM 175 C ASP A 11 -8.599 5.448 -10.938 1.00 0.28 C ATOM 176 O ASP A 11 -9.092 5.266 -12.047 1.00 0.32 O ATOM 177 CB ASP A 11 -10.402 5.323 -9.227 1.00 0.39 C ATOM 178 CG ASP A 11 -11.481 5.363 -10.290 1.00 0.79 C ATOM 179 OD1 ASP A 11 -12.116 4.318 -10.541 1.00 0.76 O ATOM 180 OD2 ASP A 11 -11.702 6.443 -10.874 1.00 1.40 O ATOM 0 H ASP A 11 -7.965 5.578 -8.198 1.00 0.29 H new ATOM 0 HA ASP A 11 -9.309 3.658 -10.003 1.00 0.30 H new ATOM 0 HB2 ASP A 11 -10.767 4.763 -8.366 1.00 0.39 H new ATOM 0 HB3 ASP A 11 -10.198 6.338 -8.884 1.00 0.39 H new ATOM 185 N GLN A 12 -7.585 6.277 -10.724 1.00 0.30 N ATOM 186 CA GLN A 12 -7.015 7.083 -11.799 1.00 0.35 C ATOM 187 C GLN A 12 -6.303 6.196 -12.812 1.00 0.31 C ATOM 188 O GLN A 12 -6.006 6.623 -13.930 1.00 0.38 O ATOM 189 CB GLN A 12 -6.026 8.096 -11.225 1.00 0.45 C ATOM 190 CG GLN A 12 -6.677 9.154 -10.355 1.00 0.59 C ATOM 191 CD GLN A 12 -7.351 10.243 -11.165 1.00 1.07 C ATOM 192 OE1 GLN A 12 -6.735 11.259 -11.486 1.00 1.90 O ATOM 193 NE2 GLN A 12 -8.609 10.035 -11.514 1.00 1.77 N ATOM 0 H GLN A 12 -7.140 6.410 -9.816 1.00 0.30 H new ATOM 0 HA GLN A 12 -7.826 7.611 -12.300 1.00 0.35 H new ATOM 0 HB2 GLN A 12 -5.276 7.566 -10.638 1.00 0.45 H new ATOM 0 HB3 GLN A 12 -5.502 8.585 -12.046 1.00 0.45 H new ATOM 0 HG2 GLN A 12 -7.414 8.681 -9.705 1.00 0.59 H new ATOM 0 HG3 GLN A 12 -5.922 9.602 -9.709 1.00 0.59 H new ATOM 0 HE21 GLN A 12 -9.083 9.179 -11.227 1.00 1.77 H new ATOM 0 HE22 GLN A 12 -9.106 10.731 -12.070 1.00 1.77 H new ATOM 202 N TYR A 13 -6.008 4.974 -12.373 1.00 0.24 N ATOM 203 CA TYR A 13 -5.306 3.968 -13.167 1.00 0.23 C ATOM 204 C TYR A 13 -3.818 4.284 -13.252 1.00 0.22 C ATOM 205 O TYR A 13 -2.978 3.399 -13.096 1.00 0.29 O ATOM 206 CB TYR A 13 -5.905 3.809 -14.569 1.00 0.30 C ATOM 207 CG TYR A 13 -5.118 2.864 -15.454 1.00 0.42 C ATOM 208 CD1 TYR A 13 -5.292 1.489 -15.364 1.00 0.56 C ATOM 209 CD2 TYR A 13 -4.194 3.349 -16.371 1.00 0.53 C ATOM 210 CE1 TYR A 13 -4.567 0.625 -16.162 1.00 0.72 C ATOM 211 CE2 TYR A 13 -3.464 2.492 -17.171 1.00 0.67 C ATOM 212 CZ TYR A 13 -3.654 1.132 -17.064 1.00 0.76 C ATOM 213 OH TYR A 13 -2.930 0.275 -17.861 1.00 0.92 O ATOM 0 H TYR A 13 -6.255 4.649 -11.438 1.00 0.24 H new ATOM 0 HA TYR A 13 -5.433 3.015 -12.653 1.00 0.23 H new ATOM 0 HB2 TYR A 13 -6.928 3.445 -14.480 1.00 0.30 H new ATOM 0 HB3 TYR A 13 -5.955 4.787 -15.048 1.00 0.30 H new ATOM 0 HD1 TYR A 13 -6.005 1.089 -14.659 1.00 0.56 H new ATOM 0 HD2 TYR A 13 -4.044 4.415 -16.460 1.00 0.53 H new ATOM 0 HE1 TYR A 13 -4.714 -0.442 -16.080 1.00 0.72 H new ATOM 0 HE2 TYR A 13 -2.748 2.886 -17.877 1.00 0.67 H new ATOM 0 HH TYR A 13 -2.333 0.793 -18.440 1.00 0.92 H new ATOM 223 N GLY A 14 -3.493 5.541 -13.482 1.00 0.22 N ATOM 224 CA GLY A 14 -2.110 5.928 -13.574 1.00 0.25 C ATOM 225 C GLY A 14 -1.399 5.842 -12.246 1.00 0.23 C ATOM 226 O GLY A 14 -0.279 5.353 -12.187 1.00 0.22 O ATOM 0 H GLY A 14 -4.163 6.300 -13.607 1.00 0.22 H new ATOM 0 HA2 GLY A 14 -1.604 5.288 -14.296 1.00 0.25 H new ATOM 0 HA3 GLY A 14 -2.045 6.948 -13.952 1.00 0.25 H new ATOM 230 N ILE A 15 -2.058 6.278 -11.177 1.00 0.24 N ATOM 231 CA ILE A 15 -1.449 6.267 -9.848 1.00 0.23 C ATOM 232 C ILE A 15 -1.082 4.855 -9.462 1.00 0.20 C ATOM 233 O ILE A 15 0.017 4.590 -8.967 1.00 0.19 O ATOM 234 CB ILE A 15 -2.403 6.805 -8.768 1.00 0.24 C ATOM 235 CG1 ILE A 15 -3.062 8.107 -9.236 1.00 0.28 C ATOM 236 CG2 ILE A 15 -1.653 7.017 -7.461 1.00 0.25 C ATOM 237 CD1 ILE A 15 -2.097 9.263 -9.403 1.00 0.29 C ATOM 0 H ILE A 15 -3.010 6.642 -11.203 1.00 0.24 H new ATOM 0 HA ILE A 15 -0.569 6.908 -9.902 1.00 0.23 H new ATOM 0 HB ILE A 15 -3.189 6.069 -8.597 1.00 0.24 H new ATOM 0 HG12 ILE A 15 -3.564 7.926 -10.187 1.00 0.28 H new ATOM 0 HG13 ILE A 15 -3.831 8.391 -8.518 1.00 0.28 H new ATOM 0 HG21 ILE A 15 -2.340 7.398 -6.705 1.00 0.25 H new ATOM 0 HG22 ILE A 15 -1.233 6.069 -7.125 1.00 0.25 H new ATOM 0 HG23 ILE A 15 -0.849 7.736 -7.616 1.00 0.25 H new ATOM 0 HD11 ILE A 15 -2.642 10.146 -9.736 1.00 0.29 H new ATOM 0 HD12 ILE A 15 -1.613 9.473 -8.449 1.00 0.29 H new ATOM 0 HD13 ILE A 15 -1.341 9.002 -10.144 1.00 0.29 H new ATOM 249 N ARG A 16 -2.017 3.944 -9.695 1.00 0.19 N ATOM 250 CA ARG A 16 -1.788 2.551 -9.392 1.00 0.17 C ATOM 251 C ARG A 16 -0.587 2.048 -10.162 1.00 0.16 C ATOM 252 O ARG A 16 0.274 1.385 -9.602 1.00 0.16 O ATOM 253 CB ARG A 16 -3.016 1.689 -9.692 1.00 0.19 C ATOM 254 CG ARG A 16 -4.036 2.356 -10.575 1.00 0.24 C ATOM 255 CD ARG A 16 -5.365 1.640 -10.522 1.00 0.38 C ATOM 256 NE ARG A 16 -5.492 0.540 -11.472 1.00 0.76 N ATOM 257 CZ ARG A 16 -6.636 -0.118 -11.677 1.00 0.67 C ATOM 258 NH1 ARG A 16 -7.733 0.228 -11.014 1.00 0.95 N ATOM 259 NH2 ARG A 16 -6.682 -1.123 -12.537 1.00 1.51 N ATOM 0 H ARG A 16 -2.934 4.150 -10.091 1.00 0.19 H new ATOM 0 HA ARG A 16 -1.593 2.470 -8.323 1.00 0.17 H new ATOM 0 HB2 ARG A 16 -2.690 0.764 -10.167 1.00 0.19 H new ATOM 0 HB3 ARG A 16 -3.491 1.413 -8.751 1.00 0.19 H new ATOM 0 HG2 ARG A 16 -4.167 3.392 -10.263 1.00 0.24 H new ATOM 0 HG3 ARG A 16 -3.673 2.376 -11.602 1.00 0.24 H new ATOM 0 HD2 ARG A 16 -5.516 1.254 -9.514 1.00 0.38 H new ATOM 0 HD3 ARG A 16 -6.161 2.361 -10.710 1.00 0.38 H new ATOM 0 HE ARG A 16 -4.668 0.260 -12.005 1.00 0.76 H new ATOM 0 HH11 ARG A 16 -7.704 0.998 -10.346 1.00 0.95 H new ATOM 0 HH12 ARG A 16 -8.605 -0.276 -11.173 1.00 0.95 H new ATOM 0 HH21 ARG A 16 -5.842 -1.398 -13.046 1.00 1.51 H new ATOM 0 HH22 ARG A 16 -7.558 -1.623 -12.691 1.00 1.51 H new ATOM 273 N ILE A 17 -0.520 2.398 -11.439 1.00 0.17 N ATOM 274 CA ILE A 17 0.611 2.022 -12.270 1.00 0.18 C ATOM 275 C ILE A 17 1.896 2.664 -11.753 1.00 0.19 C ATOM 276 O ILE A 17 2.945 2.034 -11.769 1.00 0.19 O ATOM 277 CB ILE A 17 0.391 2.412 -13.750 1.00 0.21 C ATOM 278 CG1 ILE A 17 -0.804 1.650 -14.335 1.00 0.19 C ATOM 279 CG2 ILE A 17 1.643 2.141 -14.571 1.00 0.28 C ATOM 280 CD1 ILE A 17 -0.654 0.142 -14.292 1.00 0.23 C ATOM 0 H ILE A 17 -1.236 2.942 -11.920 1.00 0.17 H new ATOM 0 HA ILE A 17 0.703 0.937 -12.216 1.00 0.18 H new ATOM 0 HB ILE A 17 0.177 3.480 -13.791 1.00 0.21 H new ATOM 0 HG12 ILE A 17 -1.704 1.931 -13.788 1.00 0.19 H new ATOM 0 HG13 ILE A 17 -0.949 1.961 -15.370 1.00 0.19 H new ATOM 0 HG21 ILE A 17 1.466 2.423 -15.609 1.00 0.28 H new ATOM 0 HG22 ILE A 17 2.473 2.725 -14.173 1.00 0.28 H new ATOM 0 HG23 ILE A 17 1.889 1.080 -14.520 1.00 0.28 H new ATOM 0 HD11 ILE A 17 -1.540 -0.324 -14.724 1.00 0.23 H new ATOM 0 HD12 ILE A 17 0.226 -0.153 -14.864 1.00 0.23 H new ATOM 0 HD13 ILE A 17 -0.541 -0.183 -13.258 1.00 0.23 H new ATOM 292 N LEU A 18 1.801 3.900 -11.266 1.00 0.20 N ATOM 293 CA LEU A 18 2.969 4.608 -10.746 1.00 0.21 C ATOM 294 C LEU A 18 3.606 3.824 -9.611 1.00 0.18 C ATOM 295 O LEU A 18 4.822 3.642 -9.575 1.00 0.18 O ATOM 296 CB LEU A 18 2.597 6.004 -10.234 1.00 0.23 C ATOM 297 CG LEU A 18 1.947 6.933 -11.254 1.00 0.26 C ATOM 298 CD1 LEU A 18 1.644 8.286 -10.626 1.00 0.31 C ATOM 299 CD2 LEU A 18 2.836 7.097 -12.478 1.00 0.29 C ATOM 0 H LEU A 18 0.931 4.430 -11.221 1.00 0.20 H new ATOM 0 HA LEU A 18 3.676 4.710 -11.569 1.00 0.21 H new ATOM 0 HB2 LEU A 18 1.918 5.891 -9.389 1.00 0.23 H new ATOM 0 HB3 LEU A 18 3.500 6.484 -9.856 1.00 0.23 H new ATOM 0 HG LEU A 18 1.007 6.484 -11.575 1.00 0.26 H new ATOM 0 HD11 LEU A 18 1.181 8.936 -11.368 1.00 0.31 H new ATOM 0 HD12 LEU A 18 0.964 8.153 -9.785 1.00 0.31 H new ATOM 0 HD13 LEU A 18 2.571 8.740 -10.274 1.00 0.31 H new ATOM 0 HD21 LEU A 18 2.353 7.764 -13.192 1.00 0.29 H new ATOM 0 HD22 LEU A 18 3.794 7.521 -12.178 1.00 0.29 H new ATOM 0 HD23 LEU A 18 2.999 6.124 -12.942 1.00 0.29 H new ATOM 311 N LEU A 19 2.781 3.348 -8.693 1.00 0.16 N ATOM 312 CA LEU A 19 3.284 2.556 -7.581 1.00 0.13 C ATOM 313 C LEU A 19 3.603 1.153 -8.063 1.00 0.12 C ATOM 314 O LEU A 19 4.548 0.536 -7.601 1.00 0.11 O ATOM 315 CB LEU A 19 2.274 2.495 -6.430 1.00 0.14 C ATOM 316 CG LEU A 19 1.630 3.827 -6.030 1.00 0.14 C ATOM 317 CD1 LEU A 19 0.823 3.664 -4.753 1.00 0.14 C ATOM 318 CD2 LEU A 19 2.678 4.918 -5.863 1.00 0.17 C ATOM 0 H LEU A 19 1.771 3.493 -8.694 1.00 0.16 H new ATOM 0 HA LEU A 19 4.188 3.034 -7.204 1.00 0.13 H new ATOM 0 HB2 LEU A 19 1.481 1.799 -6.705 1.00 0.14 H new ATOM 0 HB3 LEU A 19 2.774 2.079 -5.556 1.00 0.14 H new ATOM 0 HG LEU A 19 0.957 4.129 -6.833 1.00 0.14 H new ATOM 0 HD11 LEU A 19 0.372 4.619 -4.483 1.00 0.14 H new ATOM 0 HD12 LEU A 19 0.038 2.924 -4.910 1.00 0.14 H new ATOM 0 HD13 LEU A 19 1.479 3.332 -3.948 1.00 0.14 H new ATOM 0 HD21 LEU A 19 2.190 5.851 -5.579 1.00 0.17 H new ATOM 0 HD22 LEU A 19 3.385 4.627 -5.086 1.00 0.17 H new ATOM 0 HD23 LEU A 19 3.210 5.059 -6.804 1.00 0.17 H new ATOM 330 N ASN A 20 2.817 0.668 -9.013 1.00 0.12 N ATOM 331 CA ASN A 20 3.030 -0.652 -9.594 1.00 0.12 C ATOM 332 C ASN A 20 4.431 -0.741 -10.195 1.00 0.13 C ATOM 333 O ASN A 20 5.231 -1.585 -9.800 1.00 0.14 O ATOM 334 CB ASN A 20 1.974 -0.941 -10.675 1.00 0.15 C ATOM 335 CG ASN A 20 0.830 -1.816 -10.180 1.00 0.17 C ATOM 336 OD1 ASN A 20 0.851 -3.034 -10.349 1.00 0.20 O ATOM 337 ND2 ASN A 20 -0.173 -1.209 -9.566 1.00 0.19 N ATOM 0 H ASN A 20 2.020 1.172 -9.401 1.00 0.12 H new ATOM 0 HA ASN A 20 2.934 -1.398 -8.805 1.00 0.12 H new ATOM 0 HB2 ASN A 20 1.569 0.003 -11.039 1.00 0.15 H new ATOM 0 HB3 ASN A 20 2.455 -1.429 -11.522 1.00 0.15 H new ATOM 0 HD21 ASN A 20 -0.961 -1.754 -9.216 1.00 0.19 H new ATOM 0 HD22 ASN A 20 -0.158 -0.197 -9.443 1.00 0.19 H new ATOM 344 N GLU A 21 4.738 0.171 -11.113 1.00 0.15 N ATOM 345 CA GLU A 21 6.011 0.144 -11.823 1.00 0.17 C ATOM 346 C GLU A 21 7.185 0.446 -10.893 1.00 0.17 C ATOM 347 O GLU A 21 8.262 -0.111 -11.053 1.00 0.23 O ATOM 348 CB GLU A 21 6.011 1.129 -12.999 1.00 0.19 C ATOM 349 CG GLU A 21 5.755 2.572 -12.594 1.00 0.21 C ATOM 350 CD GLU A 21 5.982 3.553 -13.725 1.00 0.27 C ATOM 351 OE1 GLU A 21 5.182 3.550 -14.687 1.00 0.33 O ATOM 352 OE2 GLU A 21 6.969 4.322 -13.673 1.00 0.40 O ATOM 0 H GLU A 21 4.122 0.938 -11.382 1.00 0.15 H new ATOM 0 HA GLU A 21 6.134 -0.867 -12.211 1.00 0.17 H new ATOM 0 HB2 GLU A 21 6.972 1.070 -13.509 1.00 0.19 H new ATOM 0 HB3 GLU A 21 5.250 0.823 -13.717 1.00 0.19 H new ATOM 0 HG2 GLU A 21 4.729 2.667 -12.238 1.00 0.21 H new ATOM 0 HG3 GLU A 21 6.407 2.831 -11.760 1.00 0.21 H new ATOM 359 N VAL A 22 6.974 1.315 -9.915 1.00 0.15 N ATOM 360 CA VAL A 22 8.055 1.730 -9.026 1.00 0.17 C ATOM 361 C VAL A 22 8.271 0.750 -7.895 1.00 0.16 C ATOM 362 O VAL A 22 9.400 0.500 -7.498 1.00 0.20 O ATOM 363 CB VAL A 22 7.810 3.138 -8.461 1.00 0.18 C ATOM 364 CG1 VAL A 22 8.769 3.442 -7.327 1.00 0.27 C ATOM 365 CG2 VAL A 22 7.964 4.168 -9.558 1.00 0.21 C ATOM 0 H VAL A 22 6.071 1.745 -9.716 1.00 0.15 H new ATOM 0 HA VAL A 22 8.961 1.749 -9.632 1.00 0.17 H new ATOM 0 HB VAL A 22 6.794 3.177 -8.069 1.00 0.18 H new ATOM 0 HG11 VAL A 22 8.575 4.444 -6.945 1.00 0.27 H new ATOM 0 HG12 VAL A 22 8.629 2.715 -6.527 1.00 0.27 H new ATOM 0 HG13 VAL A 22 9.794 3.386 -7.693 1.00 0.27 H new ATOM 0 HG21 VAL A 22 7.789 5.163 -9.150 1.00 0.21 H new ATOM 0 HG22 VAL A 22 8.973 4.116 -9.967 1.00 0.21 H new ATOM 0 HG23 VAL A 22 7.241 3.968 -10.349 1.00 0.21 H new ATOM 375 N PHE A 23 7.216 0.188 -7.370 1.00 0.12 N ATOM 376 CA PHE A 23 7.391 -0.856 -6.396 1.00 0.10 C ATOM 377 C PHE A 23 8.079 -2.011 -7.083 1.00 0.11 C ATOM 378 O PHE A 23 9.083 -2.522 -6.611 1.00 0.15 O ATOM 379 CB PHE A 23 6.054 -1.300 -5.802 1.00 0.10 C ATOM 380 CG PHE A 23 5.441 -0.305 -4.858 1.00 0.13 C ATOM 381 CD1 PHE A 23 6.193 0.729 -4.328 1.00 0.32 C ATOM 382 CD2 PHE A 23 4.105 -0.403 -4.508 1.00 0.18 C ATOM 383 CE1 PHE A 23 5.624 1.641 -3.466 1.00 0.38 C ATOM 384 CE2 PHE A 23 3.531 0.507 -3.645 1.00 0.18 C ATOM 385 CZ PHE A 23 4.291 1.530 -3.125 1.00 0.26 C ATOM 0 H PHE A 23 6.250 0.427 -7.592 1.00 0.12 H new ATOM 0 HA PHE A 23 7.994 -0.488 -5.566 1.00 0.10 H new ATOM 0 HB2 PHE A 23 5.354 -1.493 -6.615 1.00 0.10 H new ATOM 0 HB3 PHE A 23 6.198 -2.243 -5.275 1.00 0.10 H new ATOM 0 HD1 PHE A 23 7.236 0.822 -4.593 1.00 0.32 H new ATOM 0 HD2 PHE A 23 3.504 -1.202 -4.916 1.00 0.18 H new ATOM 0 HE1 PHE A 23 6.221 2.443 -3.057 1.00 0.38 H new ATOM 0 HE2 PHE A 23 2.488 0.417 -3.378 1.00 0.18 H new ATOM 0 HZ PHE A 23 3.845 2.246 -2.450 1.00 0.26 H new ATOM 395 N ASN A 24 7.572 -2.366 -8.252 1.00 0.12 N ATOM 396 CA ASN A 24 8.150 -3.446 -9.031 1.00 0.14 C ATOM 397 C ASN A 24 9.568 -3.118 -9.427 1.00 0.18 C ATOM 398 O ASN A 24 10.414 -4.005 -9.485 1.00 0.20 O ATOM 399 CB ASN A 24 7.307 -3.749 -10.267 1.00 0.16 C ATOM 400 CG ASN A 24 6.099 -4.606 -9.935 1.00 0.16 C ATOM 401 OD1 ASN A 24 5.623 -5.380 -10.765 1.00 0.21 O ATOM 402 ND2 ASN A 24 5.610 -4.484 -8.708 1.00 0.15 N ATOM 0 H ASN A 24 6.761 -1.921 -8.682 1.00 0.12 H new ATOM 0 HA ASN A 24 8.162 -4.338 -8.405 1.00 0.14 H new ATOM 0 HB2 ASN A 24 6.975 -2.814 -10.718 1.00 0.16 H new ATOM 0 HB3 ASN A 24 7.921 -4.260 -11.009 1.00 0.16 H new ATOM 0 HD21 ASN A 24 4.808 -5.045 -8.421 1.00 0.15 H new ATOM 0 HD22 ASN A 24 6.036 -3.829 -8.052 1.00 0.15 H new ATOM 409 N LYS A 25 9.831 -1.830 -9.643 1.00 0.19 N ATOM 410 CA LYS A 25 11.164 -1.374 -10.031 1.00 0.25 C ATOM 411 C LYS A 25 12.119 -1.692 -8.920 1.00 0.24 C ATOM 412 O LYS A 25 13.289 -2.008 -9.136 1.00 0.30 O ATOM 413 CB LYS A 25 11.189 0.132 -10.323 1.00 0.28 C ATOM 414 CG LYS A 25 11.611 1.039 -9.157 1.00 0.25 C ATOM 415 CD LYS A 25 12.087 2.382 -9.682 1.00 0.38 C ATOM 416 CE LYS A 25 11.086 2.960 -10.667 1.00 1.18 C ATOM 417 NZ LYS A 25 11.587 4.197 -11.315 1.00 1.65 N ATOM 0 H LYS A 25 9.140 -1.085 -9.556 1.00 0.19 H new ATOM 0 HA LYS A 25 11.455 -1.888 -10.947 1.00 0.25 H new ATOM 0 HB2 LYS A 25 11.867 0.308 -11.158 1.00 0.28 H new ATOM 0 HB3 LYS A 25 10.194 0.435 -10.651 1.00 0.28 H new ATOM 0 HG2 LYS A 25 10.772 1.183 -8.477 1.00 0.25 H new ATOM 0 HG3 LYS A 25 12.406 0.561 -8.585 1.00 0.25 H new ATOM 0 HD2 LYS A 25 12.228 3.073 -8.851 1.00 0.38 H new ATOM 0 HD3 LYS A 25 13.056 2.265 -10.167 1.00 0.38 H new ATOM 0 HE2 LYS A 25 10.861 2.217 -11.432 1.00 1.18 H new ATOM 0 HE3 LYS A 25 10.152 3.176 -10.148 1.00 1.18 H new ATOM 0 HZ1 LYS A 25 10.871 4.556 -11.979 1.00 1.65 H new ATOM 0 HZ2 LYS A 25 11.777 4.917 -10.589 1.00 1.65 H new ATOM 0 HZ3 LYS A 25 12.464 3.987 -11.833 1.00 1.65 H new ATOM 431 N GLU A 26 11.575 -1.633 -7.727 1.00 0.21 N ATOM 432 CA GLU A 26 12.305 -1.954 -6.530 1.00 0.26 C ATOM 433 C GLU A 26 12.304 -3.466 -6.302 1.00 0.36 C ATOM 434 O GLU A 26 12.547 -3.952 -5.200 1.00 0.78 O ATOM 435 CB GLU A 26 11.687 -1.209 -5.354 1.00 0.23 C ATOM 436 CG GLU A 26 11.776 0.292 -5.521 1.00 0.25 C ATOM 437 CD GLU A 26 13.213 0.762 -5.539 1.00 0.44 C ATOM 438 OE1 GLU A 26 13.861 0.757 -4.471 1.00 0.55 O ATOM 439 OE2 GLU A 26 13.699 1.135 -6.625 1.00 0.68 O ATOM 0 H GLU A 26 10.607 -1.359 -7.562 1.00 0.21 H new ATOM 0 HA GLU A 26 13.344 -1.640 -6.631 1.00 0.26 H new ATOM 0 HB2 GLU A 26 10.642 -1.500 -5.250 1.00 0.23 H new ATOM 0 HB3 GLU A 26 12.193 -1.502 -4.434 1.00 0.23 H new ATOM 0 HG2 GLU A 26 11.284 0.586 -6.448 1.00 0.25 H new ATOM 0 HG3 GLU A 26 11.242 0.782 -4.707 1.00 0.25 H new ATOM 446 N GLY A 27 12.026 -4.204 -7.367 1.00 0.19 N ATOM 447 CA GLY A 27 12.042 -5.646 -7.315 1.00 0.21 C ATOM 448 C GLY A 27 10.723 -6.221 -6.854 1.00 0.25 C ATOM 449 O GLY A 27 10.563 -7.436 -6.786 1.00 0.45 O ATOM 0 H GLY A 27 11.786 -3.818 -8.280 1.00 0.19 H new ATOM 0 HA2 GLY A 27 12.281 -6.040 -8.303 1.00 0.21 H new ATOM 0 HA3 GLY A 27 12.833 -5.974 -6.641 1.00 0.21 H new ATOM 453 N TYR A 28 9.758 -5.358 -6.571 1.00 0.15 N ATOM 454 CA TYR A 28 8.532 -5.810 -5.912 1.00 0.15 C ATOM 455 C TYR A 28 7.567 -6.424 -6.911 1.00 0.14 C ATOM 456 O TYR A 28 7.894 -6.631 -8.081 1.00 0.19 O ATOM 457 CB TYR A 28 7.799 -4.662 -5.199 1.00 0.20 C ATOM 458 CG TYR A 28 8.416 -4.172 -3.902 1.00 0.34 C ATOM 459 CD1 TYR A 28 9.580 -3.411 -3.907 1.00 0.84 C ATOM 460 CD2 TYR A 28 7.860 -4.498 -2.673 1.00 0.89 C ATOM 461 CE1 TYR A 28 10.162 -2.994 -2.729 1.00 0.93 C ATOM 462 CE2 TYR A 28 8.435 -4.077 -1.493 1.00 1.04 C ATOM 463 CZ TYR A 28 9.508 -3.224 -1.531 1.00 0.75 C ATOM 464 OH TYR A 28 10.153 -2.897 -0.361 1.00 0.98 O ATOM 0 H TYR A 28 9.793 -4.360 -6.780 1.00 0.15 H new ATOM 0 HA TYR A 28 8.845 -6.552 -5.178 1.00 0.15 H new ATOM 0 HB2 TYR A 28 7.734 -3.819 -5.887 1.00 0.20 H new ATOM 0 HB3 TYR A 28 6.779 -4.984 -4.992 1.00 0.20 H new ATOM 0 HD1 TYR A 28 10.035 -3.142 -4.849 1.00 0.84 H new ATOM 0 HD2 TYR A 28 6.959 -5.093 -2.640 1.00 0.89 H new ATOM 0 HE1 TYR A 28 11.119 -2.493 -2.741 1.00 0.93 H new ATOM 0 HE2 TYR A 28 8.043 -4.416 -0.546 1.00 1.04 H new ATOM 0 HH TYR A 28 9.823 -3.467 0.365 1.00 0.98 H new ATOM 474 N GLN A 29 6.377 -6.718 -6.426 1.00 0.14 N ATOM 475 CA GLN A 29 5.272 -7.109 -7.272 1.00 0.16 C ATOM 476 C GLN A 29 4.025 -6.421 -6.773 1.00 0.14 C ATOM 477 O GLN A 29 3.807 -6.317 -5.569 1.00 0.17 O ATOM 478 CB GLN A 29 5.101 -8.611 -7.264 1.00 0.23 C ATOM 479 CG GLN A 29 5.184 -9.197 -5.888 1.00 1.14 C ATOM 480 CD GLN A 29 5.927 -10.506 -5.863 1.00 1.32 C ATOM 481 OE1 GLN A 29 6.890 -10.712 -6.605 1.00 1.95 O ATOM 482 NE2 GLN A 29 5.457 -11.414 -5.041 1.00 0.97 N ATOM 0 H GLN A 29 6.151 -6.692 -5.432 1.00 0.14 H new ATOM 0 HA GLN A 29 5.468 -6.810 -8.302 1.00 0.16 H new ATOM 0 HB2 GLN A 29 4.137 -8.865 -7.705 1.00 0.23 H new ATOM 0 HB3 GLN A 29 5.868 -9.063 -7.893 1.00 0.23 H new ATOM 0 HG2 GLN A 29 5.680 -8.489 -5.224 1.00 1.14 H new ATOM 0 HG3 GLN A 29 4.177 -9.347 -5.499 1.00 1.14 H new ATOM 0 HE21 GLN A 29 4.658 -11.198 -4.446 1.00 0.97 H new ATOM 0 HE22 GLN A 29 5.891 -12.336 -4.997 1.00 0.97 H new ATOM 491 N THR A 30 3.219 -5.944 -7.690 1.00 0.13 N ATOM 492 CA THR A 30 2.124 -5.073 -7.338 1.00 0.12 C ATOM 493 C THR A 30 0.849 -5.459 -8.048 1.00 0.14 C ATOM 494 O THR A 30 0.861 -6.157 -9.064 1.00 0.21 O ATOM 495 CB THR A 30 2.464 -3.613 -7.672 1.00 0.11 C ATOM 496 OG1 THR A 30 3.120 -3.561 -8.937 1.00 0.13 O ATOM 497 CG2 THR A 30 3.338 -3.005 -6.592 1.00 0.10 C ATOM 0 H THR A 30 3.301 -6.144 -8.687 1.00 0.13 H new ATOM 0 HA THR A 30 1.968 -5.178 -6.264 1.00 0.12 H new ATOM 0 HB THR A 30 1.543 -3.033 -7.720 1.00 0.11 H new ATOM 0 HG1 THR A 30 2.450 -3.518 -9.651 1.00 0.13 H new ATOM 0 HG21 THR A 30 3.567 -1.971 -6.849 1.00 0.10 H new ATOM 0 HG22 THR A 30 2.811 -3.034 -5.638 1.00 0.10 H new ATOM 0 HG23 THR A 30 4.265 -3.573 -6.512 1.00 0.10 H new ATOM 505 N PHE A 31 -0.245 -5.005 -7.487 1.00 0.11 N ATOM 506 CA PHE A 31 -1.540 -5.178 -8.078 1.00 0.13 C ATOM 507 C PHE A 31 -2.328 -3.893 -7.881 1.00 0.11 C ATOM 508 O PHE A 31 -1.834 -2.958 -7.256 1.00 0.10 O ATOM 509 CB PHE A 31 -2.267 -6.372 -7.460 1.00 0.15 C ATOM 510 CG PHE A 31 -2.365 -7.565 -8.369 1.00 0.19 C ATOM 511 CD1 PHE A 31 -1.340 -8.494 -8.423 1.00 0.30 C ATOM 512 CD2 PHE A 31 -3.481 -7.758 -9.166 1.00 0.28 C ATOM 513 CE1 PHE A 31 -1.425 -9.594 -9.256 1.00 0.43 C ATOM 514 CE2 PHE A 31 -3.572 -8.855 -10.001 1.00 0.42 C ATOM 515 CZ PHE A 31 -2.547 -9.767 -10.055 1.00 0.48 C ATOM 0 H PHE A 31 -0.257 -4.501 -6.600 1.00 0.11 H new ATOM 0 HA PHE A 31 -1.438 -5.386 -9.143 1.00 0.13 H new ATOM 0 HB2 PHE A 31 -1.750 -6.666 -6.546 1.00 0.15 H new ATOM 0 HB3 PHE A 31 -3.272 -6.063 -7.173 1.00 0.15 H new ATOM 0 HD1 PHE A 31 -0.463 -8.358 -7.807 1.00 0.30 H new ATOM 0 HD2 PHE A 31 -4.290 -7.043 -9.134 1.00 0.28 H new ATOM 0 HE1 PHE A 31 -0.622 -10.316 -9.285 1.00 0.43 H new ATOM 0 HE2 PHE A 31 -4.451 -8.995 -10.612 1.00 0.42 H new ATOM 0 HZ PHE A 31 -2.614 -10.617 -10.718 1.00 0.48 H new ATOM 525 N GLN A 32 -3.541 -3.834 -8.392 1.00 0.13 N ATOM 526 CA GLN A 32 -4.291 -2.588 -8.387 1.00 0.13 C ATOM 527 C GLN A 32 -5.785 -2.818 -8.192 1.00 0.14 C ATOM 528 O GLN A 32 -6.317 -3.886 -8.494 1.00 0.18 O ATOM 529 CB GLN A 32 -4.013 -1.826 -9.676 1.00 0.15 C ATOM 530 CG GLN A 32 -4.059 -2.705 -10.906 1.00 0.17 C ATOM 531 CD GLN A 32 -3.349 -2.083 -12.093 1.00 0.56 C ATOM 532 OE1 GLN A 32 -3.944 -1.337 -12.867 1.00 1.29 O ATOM 533 NE2 GLN A 32 -2.067 -2.381 -12.245 1.00 0.44 N ATOM 0 H GLN A 32 -4.028 -4.625 -8.813 1.00 0.13 H new ATOM 0 HA GLN A 32 -3.959 -1.991 -7.538 1.00 0.13 H new ATOM 0 HB2 GLN A 32 -4.744 -1.024 -9.782 1.00 0.15 H new ATOM 0 HB3 GLN A 32 -3.032 -1.356 -9.609 1.00 0.15 H new ATOM 0 HG2 GLN A 32 -3.602 -3.668 -10.677 1.00 0.17 H new ATOM 0 HG3 GLN A 32 -5.098 -2.900 -11.170 1.00 0.17 H new ATOM 0 HE21 GLN A 32 -1.606 -3.004 -11.582 1.00 0.44 H new ATOM 0 HE22 GLN A 32 -1.541 -1.987 -13.025 1.00 0.44 H new ATOM 542 N ALA A 33 -6.440 -1.794 -7.679 1.00 0.13 N ATOM 543 CA ALA A 33 -7.862 -1.836 -7.338 1.00 0.15 C ATOM 544 C ALA A 33 -8.469 -0.464 -7.522 1.00 0.20 C ATOM 545 O ALA A 33 -7.873 0.513 -7.123 1.00 0.32 O ATOM 546 CB ALA A 33 -8.031 -2.279 -5.899 1.00 0.16 C ATOM 0 H ALA A 33 -6.000 -0.895 -7.482 1.00 0.13 H new ATOM 0 HA ALA A 33 -8.367 -2.545 -7.993 1.00 0.15 H new ATOM 0 HB1 ALA A 33 -9.092 -2.309 -5.650 1.00 0.16 H new ATOM 0 HB2 ALA A 33 -7.600 -3.272 -5.771 1.00 0.16 H new ATOM 0 HB3 ALA A 33 -7.523 -1.575 -5.240 1.00 0.16 H new ATOM 552 N ALA A 34 -9.659 -0.385 -8.093 1.00 0.29 N ATOM 553 CA ALA A 34 -10.239 0.914 -8.425 1.00 0.32 C ATOM 554 C ALA A 34 -11.121 1.465 -7.309 1.00 0.33 C ATOM 555 O ALA A 34 -11.865 2.420 -7.524 1.00 0.47 O ATOM 556 CB ALA A 34 -11.032 0.824 -9.717 1.00 0.34 C ATOM 0 H ALA A 34 -10.238 -1.189 -8.335 1.00 0.29 H new ATOM 0 HA ALA A 34 -9.408 1.608 -8.553 1.00 0.32 H new ATOM 0 HB1 ALA A 34 -11.458 1.800 -9.951 1.00 0.34 H new ATOM 0 HB2 ALA A 34 -10.373 0.512 -10.527 1.00 0.34 H new ATOM 0 HB3 ALA A 34 -11.835 0.096 -9.601 1.00 0.34 H new ATOM 562 N ASN A 35 -11.041 0.888 -6.114 1.00 0.40 N ATOM 563 CA ASN A 35 -11.904 1.348 -5.026 1.00 0.46 C ATOM 564 C ASN A 35 -11.426 0.840 -3.671 1.00 0.69 C ATOM 565 O ASN A 35 -11.387 1.575 -2.691 1.00 1.79 O ATOM 566 CB ASN A 35 -13.333 0.866 -5.272 1.00 0.36 C ATOM 567 CG ASN A 35 -14.320 1.395 -4.246 1.00 0.50 C ATOM 568 OD1 ASN A 35 -14.932 2.445 -4.441 1.00 0.96 O ATOM 569 ND2 ASN A 35 -14.482 0.675 -3.147 1.00 0.31 N ATOM 0 H ASN A 35 -10.409 0.124 -5.876 1.00 0.40 H new ATOM 0 HA ASN A 35 -11.868 2.437 -5.008 1.00 0.46 H new ATOM 0 HB2 ASN A 35 -13.650 1.177 -6.267 1.00 0.36 H new ATOM 0 HB3 ASN A 35 -13.351 -0.224 -5.258 1.00 0.36 H new ATOM 0 HD21 ASN A 35 -15.133 0.985 -2.425 1.00 0.31 H new ATOM 0 HD22 ASN A 35 -13.956 -0.190 -3.022 1.00 0.31 H new ATOM 576 N GLY A 36 -11.053 -0.422 -3.632 1.00 0.36 N ATOM 577 CA GLY A 36 -10.714 -1.062 -2.381 1.00 0.19 C ATOM 578 C GLY A 36 -11.249 -2.473 -2.352 1.00 0.13 C ATOM 579 O GLY A 36 -10.506 -3.417 -2.114 1.00 0.12 O ATOM 0 H GLY A 36 -10.977 -1.024 -4.452 1.00 0.36 H new ATOM 0 HA2 GLY A 36 -9.632 -1.074 -2.252 1.00 0.19 H new ATOM 0 HA3 GLY A 36 -11.128 -0.492 -1.549 1.00 0.19 H new ATOM 583 N LEU A 37 -12.542 -2.605 -2.658 1.00 0.15 N ATOM 584 CA LEU A 37 -13.224 -3.904 -2.728 1.00 0.16 C ATOM 585 C LEU A 37 -12.505 -4.855 -3.672 1.00 0.17 C ATOM 586 O LEU A 37 -12.703 -6.063 -3.633 1.00 0.22 O ATOM 587 CB LEU A 37 -14.649 -3.706 -3.235 1.00 0.20 C ATOM 588 CG LEU A 37 -15.556 -2.862 -2.338 1.00 0.24 C ATOM 589 CD1 LEU A 37 -16.556 -2.076 -3.167 1.00 0.29 C ATOM 590 CD2 LEU A 37 -16.283 -3.752 -1.343 1.00 0.30 C ATOM 0 H LEU A 37 -13.149 -1.812 -2.865 1.00 0.15 H new ATOM 0 HA LEU A 37 -13.227 -4.334 -1.726 1.00 0.16 H new ATOM 0 HB2 LEU A 37 -14.604 -3.239 -4.219 1.00 0.20 H new ATOM 0 HB3 LEU A 37 -15.108 -4.686 -3.368 1.00 0.20 H new ATOM 0 HG LEU A 37 -14.934 -2.153 -1.791 1.00 0.24 H new ATOM 0 HD11 LEU A 37 -17.190 -1.484 -2.507 1.00 0.29 H new ATOM 0 HD12 LEU A 37 -16.023 -1.414 -3.849 1.00 0.29 H new ATOM 0 HD13 LEU A 37 -17.175 -2.766 -3.741 1.00 0.29 H new ATOM 0 HD21 LEU A 37 -16.926 -3.140 -0.710 1.00 0.30 H new ATOM 0 HD22 LEU A 37 -16.890 -4.479 -1.882 1.00 0.30 H new ATOM 0 HD23 LEU A 37 -15.555 -4.275 -0.723 1.00 0.30 H new ATOM 602 N GLN A 38 -11.669 -4.290 -4.514 1.00 0.14 N ATOM 603 CA GLN A 38 -10.975 -5.055 -5.521 1.00 0.15 C ATOM 604 C GLN A 38 -9.707 -5.654 -4.935 1.00 0.12 C ATOM 605 O GLN A 38 -9.470 -6.855 -5.037 1.00 0.14 O ATOM 606 CB GLN A 38 -10.652 -4.161 -6.713 1.00 0.21 C ATOM 607 CG GLN A 38 -11.636 -3.018 -6.892 1.00 0.22 C ATOM 608 CD GLN A 38 -12.075 -2.865 -8.330 1.00 0.59 C ATOM 609 OE1 GLN A 38 -11.435 -2.171 -9.112 1.00 1.57 O ATOM 610 NE2 GLN A 38 -13.166 -3.502 -8.681 1.00 1.03 N ATOM 0 H GLN A 38 -11.453 -3.293 -4.519 1.00 0.14 H new ATOM 0 HA GLN A 38 -11.613 -5.871 -5.862 1.00 0.15 H new ATOM 0 HB2 GLN A 38 -9.649 -3.752 -6.590 1.00 0.21 H new ATOM 0 HB3 GLN A 38 -10.640 -4.766 -7.619 1.00 0.21 H new ATOM 0 HG2 GLN A 38 -12.510 -3.191 -6.263 1.00 0.22 H new ATOM 0 HG3 GLN A 38 -11.178 -2.089 -6.553 1.00 0.22 H new ATOM 0 HE21 GLN A 38 -13.668 -4.069 -7.998 1.00 1.03 H new ATOM 0 HE22 GLN A 38 -13.513 -3.431 -9.638 1.00 1.03 H new ATOM 619 N ALA A 39 -8.906 -4.804 -4.299 1.00 0.11 N ATOM 620 CA ALA A 39 -7.748 -5.259 -3.553 1.00 0.10 C ATOM 621 C ALA A 39 -8.201 -6.224 -2.467 1.00 0.10 C ATOM 622 O ALA A 39 -7.477 -7.124 -2.068 1.00 0.11 O ATOM 623 CB ALA A 39 -7.009 -4.078 -2.940 1.00 0.11 C ATOM 0 H ALA A 39 -9.043 -3.793 -4.288 1.00 0.11 H new ATOM 0 HA ALA A 39 -7.063 -5.770 -4.229 1.00 0.10 H new ATOM 0 HB1 ALA A 39 -6.144 -4.439 -2.384 1.00 0.11 H new ATOM 0 HB2 ALA A 39 -6.678 -3.406 -3.731 1.00 0.11 H new ATOM 0 HB3 ALA A 39 -7.676 -3.542 -2.265 1.00 0.11 H new ATOM 629 N LEU A 40 -9.427 -6.012 -2.016 1.00 0.11 N ATOM 630 CA LEU A 40 -10.064 -6.853 -1.020 1.00 0.13 C ATOM 631 C LEU A 40 -10.059 -8.314 -1.456 1.00 0.13 C ATOM 632 O LEU A 40 -9.488 -9.175 -0.778 1.00 0.14 O ATOM 633 CB LEU A 40 -11.492 -6.358 -0.815 1.00 0.18 C ATOM 634 CG LEU A 40 -12.021 -6.479 0.608 1.00 0.26 C ATOM 635 CD1 LEU A 40 -13.437 -5.944 0.697 1.00 0.34 C ATOM 636 CD2 LEU A 40 -11.979 -7.916 1.059 1.00 0.40 C ATOM 0 H LEU A 40 -10.013 -5.241 -2.336 1.00 0.11 H new ATOM 0 HA LEU A 40 -9.511 -6.793 -0.082 1.00 0.13 H new ATOM 0 HB2 LEU A 40 -11.544 -5.312 -1.117 1.00 0.18 H new ATOM 0 HB3 LEU A 40 -12.152 -6.915 -1.480 1.00 0.18 H new ATOM 0 HG LEU A 40 -11.385 -5.885 1.264 1.00 0.26 H new ATOM 0 HD11 LEU A 40 -13.798 -6.039 1.721 1.00 0.34 H new ATOM 0 HD12 LEU A 40 -13.448 -4.894 0.404 1.00 0.34 H new ATOM 0 HD13 LEU A 40 -14.084 -6.514 0.030 1.00 0.34 H new ATOM 0 HD21 LEU A 40 -12.360 -7.989 2.078 1.00 0.40 H new ATOM 0 HD22 LEU A 40 -12.596 -8.523 0.397 1.00 0.40 H new ATOM 0 HD23 LEU A 40 -10.951 -8.277 1.029 1.00 0.40 H new ATOM 648 N ASP A 41 -10.688 -8.584 -2.591 1.00 0.14 N ATOM 649 CA ASP A 41 -10.708 -9.930 -3.158 1.00 0.16 C ATOM 650 C ASP A 41 -9.292 -10.434 -3.369 1.00 0.16 C ATOM 651 O ASP A 41 -9.006 -11.608 -3.162 1.00 0.19 O ATOM 652 CB ASP A 41 -11.453 -9.958 -4.495 1.00 0.21 C ATOM 653 CG ASP A 41 -12.956 -9.881 -4.344 1.00 0.87 C ATOM 654 OD1 ASP A 41 -13.469 -8.813 -3.961 1.00 1.72 O ATOM 655 OD2 ASP A 41 -13.639 -10.885 -4.638 1.00 0.93 O ATOM 0 H ASP A 41 -11.193 -7.889 -3.140 1.00 0.14 H new ATOM 0 HA ASP A 41 -11.229 -10.576 -2.451 1.00 0.16 H new ATOM 0 HB2 ASP A 41 -11.113 -9.124 -5.110 1.00 0.21 H new ATOM 0 HB3 ASP A 41 -11.195 -10.873 -5.028 1.00 0.21 H new ATOM 660 N ILE A 42 -8.402 -9.533 -3.753 1.00 0.14 N ATOM 661 CA ILE A 42 -7.027 -9.900 -4.037 1.00 0.15 C ATOM 662 C ILE A 42 -6.246 -10.196 -2.751 1.00 0.14 C ATOM 663 O ILE A 42 -5.287 -10.947 -2.773 1.00 0.17 O ATOM 664 CB ILE A 42 -6.300 -8.814 -4.855 1.00 0.16 C ATOM 665 CG1 ILE A 42 -7.064 -8.511 -6.141 1.00 0.19 C ATOM 666 CG2 ILE A 42 -4.881 -9.260 -5.187 1.00 0.18 C ATOM 667 CD1 ILE A 42 -6.509 -7.321 -6.887 1.00 0.20 C ATOM 0 H ILE A 42 -8.609 -8.542 -3.875 1.00 0.14 H new ATOM 0 HA ILE A 42 -7.067 -10.809 -4.637 1.00 0.15 H new ATOM 0 HB ILE A 42 -6.253 -7.907 -4.253 1.00 0.16 H new ATOM 0 HG12 ILE A 42 -7.035 -9.386 -6.790 1.00 0.19 H new ATOM 0 HG13 ILE A 42 -8.111 -8.327 -5.901 1.00 0.19 H new ATOM 0 HG21 ILE A 42 -4.381 -8.483 -5.765 1.00 0.18 H new ATOM 0 HG22 ILE A 42 -4.330 -9.437 -4.263 1.00 0.18 H new ATOM 0 HG23 ILE A 42 -4.916 -10.180 -5.771 1.00 0.18 H new ATOM 0 HD11 ILE A 42 -7.093 -7.154 -7.792 1.00 0.20 H new ATOM 0 HD12 ILE A 42 -6.563 -6.436 -6.253 1.00 0.20 H new ATOM 0 HD13 ILE A 42 -5.470 -7.512 -7.155 1.00 0.20 H new ATOM 679 N VAL A 43 -6.641 -9.629 -1.625 1.00 0.11 N ATOM 680 CA VAL A 43 -5.993 -9.991 -0.371 1.00 0.11 C ATOM 681 C VAL A 43 -6.480 -11.361 0.081 1.00 0.13 C ATOM 682 O VAL A 43 -5.700 -12.196 0.536 1.00 0.15 O ATOM 683 CB VAL A 43 -6.219 -8.977 0.765 1.00 0.09 C ATOM 684 CG1 VAL A 43 -5.605 -9.506 2.051 1.00 0.17 C ATOM 685 CG2 VAL A 43 -5.629 -7.624 0.429 1.00 0.14 C ATOM 0 H VAL A 43 -7.385 -8.936 -1.549 1.00 0.11 H new ATOM 0 HA VAL A 43 -4.922 -10.000 -0.576 1.00 0.11 H new ATOM 0 HB VAL A 43 -7.293 -8.848 0.895 1.00 0.09 H new ATOM 0 HG11 VAL A 43 -5.766 -8.787 2.854 1.00 0.17 H new ATOM 0 HG12 VAL A 43 -6.073 -10.455 2.314 1.00 0.17 H new ATOM 0 HG13 VAL A 43 -4.535 -9.657 1.908 1.00 0.17 H new ATOM 0 HG21 VAL A 43 -5.808 -6.934 1.254 1.00 0.14 H new ATOM 0 HG22 VAL A 43 -4.556 -7.725 0.267 1.00 0.14 H new ATOM 0 HG23 VAL A 43 -6.098 -7.237 -0.476 1.00 0.14 H new ATOM 695 N THR A 44 -7.770 -11.594 -0.065 1.00 0.14 N ATOM 696 CA THR A 44 -8.344 -12.885 0.265 1.00 0.19 C ATOM 697 C THR A 44 -7.838 -13.972 -0.696 1.00 0.22 C ATOM 698 O THR A 44 -7.610 -15.112 -0.293 1.00 0.28 O ATOM 699 CB THR A 44 -9.886 -12.804 0.245 1.00 0.30 C ATOM 700 OG1 THR A 44 -10.345 -12.008 1.346 1.00 0.97 O ATOM 701 CG2 THR A 44 -10.532 -14.178 0.305 1.00 0.83 C ATOM 0 H THR A 44 -8.440 -10.907 -0.410 1.00 0.14 H new ATOM 0 HA THR A 44 -8.026 -13.158 1.271 1.00 0.19 H new ATOM 0 HB THR A 44 -10.177 -12.342 -0.698 1.00 0.30 H new ATOM 0 HG1 THR A 44 -9.681 -11.317 1.549 1.00 0.97 H new ATOM 0 HG21 THR A 44 -11.617 -14.071 0.289 1.00 0.83 H new ATOM 0 HG22 THR A 44 -10.212 -14.768 -0.554 1.00 0.83 H new ATOM 0 HG23 THR A 44 -10.231 -14.682 1.224 1.00 0.83 H new ATOM 709 N LYS A 45 -7.622 -13.602 -1.956 1.00 0.22 N ATOM 710 CA LYS A 45 -7.222 -14.563 -2.982 1.00 0.27 C ATOM 711 C LYS A 45 -5.693 -14.683 -3.101 1.00 0.27 C ATOM 712 O LYS A 45 -5.163 -15.781 -3.279 1.00 0.30 O ATOM 713 CB LYS A 45 -7.856 -14.177 -4.328 1.00 0.28 C ATOM 714 CG LYS A 45 -6.937 -13.437 -5.278 1.00 0.32 C ATOM 715 CD LYS A 45 -7.638 -13.113 -6.585 1.00 0.33 C ATOM 716 CE LYS A 45 -6.722 -12.374 -7.544 1.00 1.22 C ATOM 717 NZ LYS A 45 -7.388 -12.102 -8.845 1.00 1.64 N ATOM 0 H LYS A 45 -7.717 -12.644 -2.292 1.00 0.22 H new ATOM 0 HA LYS A 45 -7.586 -15.546 -2.685 1.00 0.27 H new ATOM 0 HB2 LYS A 45 -8.209 -15.083 -4.820 1.00 0.28 H new ATOM 0 HB3 LYS A 45 -8.732 -13.557 -4.136 1.00 0.28 H new ATOM 0 HG2 LYS A 45 -6.593 -12.515 -4.810 1.00 0.32 H new ATOM 0 HG3 LYS A 45 -6.053 -14.043 -5.478 1.00 0.32 H new ATOM 0 HD2 LYS A 45 -7.985 -14.036 -7.051 1.00 0.33 H new ATOM 0 HD3 LYS A 45 -8.521 -12.506 -6.384 1.00 0.33 H new ATOM 0 HE2 LYS A 45 -6.407 -11.433 -7.093 1.00 1.22 H new ATOM 0 HE3 LYS A 45 -5.821 -12.964 -7.713 1.00 1.22 H new ATOM 0 HZ1 LYS A 45 -6.731 -11.596 -9.472 1.00 1.64 H new ATOM 0 HZ2 LYS A 45 -7.666 -13.001 -9.287 1.00 1.64 H new ATOM 0 HZ3 LYS A 45 -8.234 -11.518 -8.687 1.00 1.64 H new ATOM 731 N GLU A 46 -4.986 -13.563 -2.989 1.00 0.27 N ATOM 732 CA GLU A 46 -3.536 -13.551 -3.149 1.00 0.30 C ATOM 733 C GLU A 46 -2.831 -13.490 -1.807 1.00 0.29 C ATOM 734 O GLU A 46 -1.794 -14.126 -1.627 1.00 0.34 O ATOM 735 CB GLU A 46 -3.091 -12.344 -3.980 1.00 0.29 C ATOM 736 CG GLU A 46 -3.519 -12.400 -5.432 1.00 0.36 C ATOM 737 CD GLU A 46 -2.862 -13.531 -6.187 1.00 0.75 C ATOM 738 OE1 GLU A 46 -1.672 -13.392 -6.540 1.00 0.59 O ATOM 739 OE2 GLU A 46 -3.528 -14.551 -6.437 1.00 1.76 O ATOM 0 H GLU A 46 -5.395 -12.650 -2.788 1.00 0.27 H new ATOM 0 HA GLU A 46 -3.267 -14.476 -3.659 1.00 0.30 H new ATOM 0 HB2 GLU A 46 -3.494 -11.437 -3.529 1.00 0.29 H new ATOM 0 HB3 GLU A 46 -2.005 -12.267 -3.935 1.00 0.29 H new ATOM 0 HG2 GLU A 46 -4.602 -12.514 -5.484 1.00 0.36 H new ATOM 0 HG3 GLU A 46 -3.274 -11.454 -5.916 1.00 0.36 H new ATOM 746 N ARG A 47 -3.418 -12.747 -0.869 1.00 0.27 N ATOM 747 CA ARG A 47 -2.770 -12.448 0.405 1.00 0.27 C ATOM 748 C ARG A 47 -1.399 -11.826 0.152 1.00 0.27 C ATOM 749 O ARG A 47 -0.377 -12.517 0.172 1.00 0.35 O ATOM 750 CB ARG A 47 -2.622 -13.713 1.255 1.00 0.32 C ATOM 751 CG ARG A 47 -2.322 -13.438 2.721 1.00 0.58 C ATOM 752 CD ARG A 47 -3.545 -12.896 3.449 1.00 1.26 C ATOM 753 NE ARG A 47 -4.662 -13.840 3.405 1.00 2.00 N ATOM 754 CZ ARG A 47 -5.107 -14.517 4.463 1.00 2.89 C ATOM 755 NH1 ARG A 47 -4.601 -14.286 5.667 1.00 3.35 N ATOM 756 NH2 ARG A 47 -6.079 -15.410 4.323 1.00 3.75 N ATOM 0 H ARG A 47 -4.347 -12.339 -0.970 1.00 0.27 H new ATOM 0 HA ARG A 47 -3.394 -11.742 0.952 1.00 0.27 H new ATOM 0 HB2 ARG A 47 -3.541 -14.296 1.185 1.00 0.32 H new ATOM 0 HB3 ARG A 47 -1.823 -14.327 0.840 1.00 0.32 H new ATOM 0 HG2 ARG A 47 -1.987 -14.356 3.203 1.00 0.58 H new ATOM 0 HG3 ARG A 47 -1.504 -12.721 2.798 1.00 0.58 H new ATOM 0 HD2 ARG A 47 -3.287 -12.685 4.487 1.00 1.26 H new ATOM 0 HD3 ARG A 47 -3.849 -11.951 2.998 1.00 1.26 H new ATOM 0 HE ARG A 47 -5.128 -13.989 2.510 1.00 2.00 H new ATOM 0 HH11 ARG A 47 -3.868 -13.587 5.787 1.00 3.35 H new ATOM 0 HH12 ARG A 47 -4.945 -14.807 6.473 1.00 3.35 H new ATOM 0 HH21 ARG A 47 -6.487 -15.580 3.404 1.00 3.75 H new ATOM 0 HH22 ARG A 47 -6.418 -15.927 5.135 1.00 3.75 H new ATOM 770 N PRO A 48 -1.354 -10.517 -0.118 1.00 0.23 N ATOM 771 CA PRO A 48 -0.106 -9.832 -0.416 1.00 0.22 C ATOM 772 C PRO A 48 0.732 -9.658 0.852 1.00 0.26 C ATOM 773 O PRO A 48 0.325 -10.090 1.928 1.00 0.44 O ATOM 774 CB PRO A 48 -0.547 -8.469 -0.981 1.00 0.18 C ATOM 775 CG PRO A 48 -2.042 -8.470 -0.990 1.00 0.19 C ATOM 776 CD PRO A 48 -2.490 -9.592 -0.101 1.00 0.34 C ATOM 0 HA PRO A 48 0.520 -10.386 -1.116 1.00 0.22 H new ATOM 0 HB2 PRO A 48 -0.164 -7.654 -0.367 1.00 0.18 H new ATOM 0 HB3 PRO A 48 -0.154 -8.322 -1.987 1.00 0.18 H new ATOM 0 HG2 PRO A 48 -2.430 -7.517 -0.631 1.00 0.19 H new ATOM 0 HG3 PRO A 48 -2.421 -8.607 -2.003 1.00 0.19 H new ATOM 0 HD2 PRO A 48 -2.707 -9.242 0.908 1.00 0.34 H new ATOM 0 HD3 PRO A 48 -3.398 -10.064 -0.477 1.00 0.34 H new ATOM 784 N ASP A 49 1.898 -9.044 0.737 1.00 0.25 N ATOM 785 CA ASP A 49 2.716 -8.775 1.915 1.00 0.30 C ATOM 786 C ASP A 49 2.607 -7.313 2.311 1.00 0.27 C ATOM 787 O ASP A 49 3.092 -6.910 3.367 1.00 0.47 O ATOM 788 CB ASP A 49 4.183 -9.168 1.699 1.00 0.41 C ATOM 789 CG ASP A 49 4.508 -10.523 2.296 1.00 0.80 C ATOM 790 OD1 ASP A 49 4.182 -11.548 1.660 1.00 1.43 O ATOM 791 OD2 ASP A 49 5.088 -10.574 3.399 1.00 1.10 O ATOM 0 H ASP A 49 2.298 -8.725 -0.145 1.00 0.25 H new ATOM 0 HA ASP A 49 2.333 -9.392 2.728 1.00 0.30 H new ATOM 0 HB2 ASP A 49 4.400 -9.182 0.631 1.00 0.41 H new ATOM 0 HB3 ASP A 49 4.829 -8.412 2.145 1.00 0.41 H new ATOM 796 N LEU A 50 1.986 -6.520 1.445 1.00 0.17 N ATOM 797 CA LEU A 50 1.675 -5.131 1.756 1.00 0.17 C ATOM 798 C LEU A 50 0.543 -4.639 0.859 1.00 0.14 C ATOM 799 O LEU A 50 0.442 -5.029 -0.304 1.00 0.15 O ATOM 800 CB LEU A 50 2.931 -4.255 1.627 1.00 0.24 C ATOM 801 CG LEU A 50 2.748 -2.768 1.945 1.00 0.19 C ATOM 802 CD1 LEU A 50 3.946 -2.245 2.723 1.00 0.38 C ATOM 803 CD2 LEU A 50 2.576 -1.977 0.663 1.00 0.45 C ATOM 0 H LEU A 50 1.687 -6.818 0.517 1.00 0.17 H new ATOM 0 HA LEU A 50 1.338 -5.060 2.790 1.00 0.17 H new ATOM 0 HB2 LEU A 50 3.699 -4.656 2.289 1.00 0.24 H new ATOM 0 HB3 LEU A 50 3.309 -4.345 0.609 1.00 0.24 H new ATOM 0 HG LEU A 50 1.853 -2.649 2.556 1.00 0.19 H new ATOM 0 HD11 LEU A 50 3.803 -1.187 2.943 1.00 0.38 H new ATOM 0 HD12 LEU A 50 4.044 -2.799 3.656 1.00 0.38 H new ATOM 0 HD13 LEU A 50 4.850 -2.373 2.128 1.00 0.38 H new ATOM 0 HD21 LEU A 50 2.447 -0.921 0.901 1.00 0.45 H new ATOM 0 HD22 LEU A 50 3.459 -2.102 0.037 1.00 0.45 H new ATOM 0 HD23 LEU A 50 1.698 -2.338 0.128 1.00 0.45 H new ATOM 815 N VAL A 51 -0.330 -3.815 1.416 1.00 0.14 N ATOM 816 CA VAL A 51 -1.499 -3.315 0.699 1.00 0.14 C ATOM 817 C VAL A 51 -1.569 -1.799 0.820 1.00 0.17 C ATOM 818 O VAL A 51 -1.168 -1.249 1.831 1.00 0.39 O ATOM 819 CB VAL A 51 -2.800 -3.922 1.277 1.00 0.14 C ATOM 820 CG1 VAL A 51 -4.034 -3.399 0.551 1.00 0.97 C ATOM 821 CG2 VAL A 51 -2.755 -5.439 1.216 1.00 0.94 C ATOM 0 H VAL A 51 -0.252 -3.473 2.374 1.00 0.14 H new ATOM 0 HA VAL A 51 -1.404 -3.604 -0.348 1.00 0.14 H new ATOM 0 HB VAL A 51 -2.871 -3.613 2.320 1.00 0.14 H new ATOM 0 HG11 VAL A 51 -4.928 -3.847 0.984 1.00 0.97 H new ATOM 0 HG12 VAL A 51 -4.085 -2.315 0.654 1.00 0.97 H new ATOM 0 HG13 VAL A 51 -3.973 -3.660 -0.505 1.00 0.97 H new ATOM 0 HG21 VAL A 51 -3.678 -5.847 1.627 1.00 0.94 H new ATOM 0 HG22 VAL A 51 -2.647 -5.758 0.179 1.00 0.94 H new ATOM 0 HG23 VAL A 51 -1.908 -5.802 1.798 1.00 0.94 H new ATOM 831 N LEU A 52 -2.046 -1.129 -0.214 1.00 0.14 N ATOM 832 CA LEU A 52 -2.301 0.298 -0.141 1.00 0.13 C ATOM 833 C LEU A 52 -3.725 0.619 -0.573 1.00 0.14 C ATOM 834 O LEU A 52 -4.176 0.198 -1.637 1.00 0.18 O ATOM 835 CB LEU A 52 -1.316 1.104 -0.994 1.00 0.15 C ATOM 836 CG LEU A 52 -0.201 1.804 -0.211 1.00 0.17 C ATOM 837 CD1 LEU A 52 0.917 0.836 0.119 1.00 0.20 C ATOM 838 CD2 LEU A 52 0.329 2.994 -0.991 1.00 0.25 C ATOM 0 H LEU A 52 -2.265 -1.552 -1.116 1.00 0.14 H new ATOM 0 HA LEU A 52 -2.164 0.586 0.901 1.00 0.13 H new ATOM 0 HB2 LEU A 52 -0.861 0.436 -1.725 1.00 0.15 H new ATOM 0 HB3 LEU A 52 -1.874 1.856 -1.553 1.00 0.15 H new ATOM 0 HG LEU A 52 -0.619 2.167 0.728 1.00 0.17 H new ATOM 0 HD11 LEU A 52 1.697 1.357 0.675 1.00 0.20 H new ATOM 0 HD12 LEU A 52 0.524 0.019 0.724 1.00 0.20 H new ATOM 0 HD13 LEU A 52 1.336 0.435 -0.804 1.00 0.20 H new ATOM 0 HD21 LEU A 52 1.120 3.480 -0.420 1.00 0.25 H new ATOM 0 HD22 LEU A 52 0.727 2.654 -1.947 1.00 0.25 H new ATOM 0 HD23 LEU A 52 -0.480 3.703 -1.166 1.00 0.25 H new ATOM 850 N LEU A 53 -4.421 1.359 0.271 1.00 0.16 N ATOM 851 CA LEU A 53 -5.757 1.852 -0.032 1.00 0.17 C ATOM 852 C LEU A 53 -5.669 3.337 -0.271 1.00 0.19 C ATOM 853 O LEU A 53 -4.938 4.022 0.421 1.00 0.36 O ATOM 854 CB LEU A 53 -6.712 1.615 1.141 1.00 0.21 C ATOM 855 CG LEU A 53 -6.823 0.179 1.644 1.00 0.25 C ATOM 856 CD1 LEU A 53 -7.697 0.133 2.879 1.00 0.42 C ATOM 857 CD2 LEU A 53 -7.377 -0.737 0.564 1.00 0.53 C ATOM 0 H LEU A 53 -4.076 1.637 1.190 1.00 0.16 H new ATOM 0 HA LEU A 53 -6.135 1.324 -0.907 1.00 0.17 H new ATOM 0 HB2 LEU A 53 -6.395 2.245 1.972 1.00 0.21 H new ATOM 0 HB3 LEU A 53 -7.706 1.952 0.846 1.00 0.21 H new ATOM 0 HG LEU A 53 -5.825 -0.175 1.901 1.00 0.25 H new ATOM 0 HD11 LEU A 53 -7.772 -0.895 3.233 1.00 0.42 H new ATOM 0 HD12 LEU A 53 -7.257 0.754 3.659 1.00 0.42 H new ATOM 0 HD13 LEU A 53 -8.692 0.506 2.635 1.00 0.42 H new ATOM 0 HD21 LEU A 53 -7.445 -1.754 0.950 1.00 0.53 H new ATOM 0 HD22 LEU A 53 -8.368 -0.393 0.269 1.00 0.53 H new ATOM 0 HD23 LEU A 53 -6.715 -0.721 -0.302 1.00 0.53 H new ATOM 869 N ASP A 54 -6.387 3.837 -1.240 1.00 0.23 N ATOM 870 CA ASP A 54 -6.460 5.270 -1.430 1.00 0.23 C ATOM 871 C ASP A 54 -7.802 5.762 -0.942 1.00 0.24 C ATOM 872 O ASP A 54 -8.794 5.593 -1.618 1.00 0.29 O ATOM 873 CB ASP A 54 -6.306 5.624 -2.905 1.00 0.29 C ATOM 874 CG ASP A 54 -6.222 7.114 -3.137 1.00 0.31 C ATOM 875 OD1 ASP A 54 -5.947 7.853 -2.169 1.00 0.33 O ATOM 876 OD2 ASP A 54 -6.428 7.549 -4.285 1.00 0.35 O ATOM 0 H ASP A 54 -6.926 3.285 -1.907 1.00 0.23 H new ATOM 0 HA ASP A 54 -5.654 5.743 -0.869 1.00 0.23 H new ATOM 0 HB2 ASP A 54 -5.408 5.147 -3.298 1.00 0.29 H new ATOM 0 HB3 ASP A 54 -7.151 5.220 -3.462 1.00 0.29 H new ATOM 881 N MET A 55 -7.861 6.385 0.217 1.00 0.22 N ATOM 882 CA MET A 55 -9.143 6.882 0.681 1.00 0.25 C ATOM 883 C MET A 55 -9.456 8.186 -0.050 1.00 0.26 C ATOM 884 O MET A 55 -10.525 8.773 0.101 1.00 0.29 O ATOM 885 CB MET A 55 -9.189 7.074 2.204 1.00 0.26 C ATOM 886 CG MET A 55 -8.227 8.136 2.744 1.00 0.25 C ATOM 887 SD MET A 55 -9.003 9.323 3.867 1.00 0.68 S ATOM 888 CE MET A 55 -10.322 9.988 2.854 1.00 0.38 C ATOM 0 H MET A 55 -7.069 6.556 0.837 1.00 0.22 H new ATOM 0 HA MET A 55 -9.904 6.135 0.454 1.00 0.25 H new ATOM 0 HB2 MET A 55 -10.205 7.343 2.492 1.00 0.26 H new ATOM 0 HB3 MET A 55 -8.964 6.122 2.684 1.00 0.26 H new ATOM 0 HG2 MET A 55 -7.408 7.640 3.265 1.00 0.25 H new ATOM 0 HG3 MET A 55 -7.790 8.677 1.905 1.00 0.25 H new ATOM 0 HE1 MET A 55 -10.682 10.920 3.291 1.00 0.38 H new ATOM 0 HE2 MET A 55 -9.947 10.180 1.849 1.00 0.38 H new ATOM 0 HE3 MET A 55 -11.141 9.270 2.805 1.00 0.38 H new ATOM 898 N LYS A 56 -8.506 8.585 -0.885 1.00 0.26 N ATOM 899 CA LYS A 56 -8.612 9.787 -1.704 1.00 0.31 C ATOM 900 C LYS A 56 -8.967 9.349 -3.123 1.00 0.35 C ATOM 901 O LYS A 56 -8.990 10.136 -4.077 1.00 0.41 O ATOM 902 CB LYS A 56 -7.294 10.572 -1.641 1.00 0.35 C ATOM 903 CG LYS A 56 -7.286 11.898 -2.390 1.00 0.45 C ATOM 904 CD LYS A 56 -8.625 12.622 -2.359 1.00 0.49 C ATOM 905 CE LYS A 56 -9.116 12.840 -0.944 1.00 0.38 C ATOM 906 NZ LYS A 56 -10.229 13.819 -0.878 1.00 0.44 N ATOM 0 H LYS A 56 -7.630 8.078 -1.015 1.00 0.26 H new ATOM 0 HA LYS A 56 -9.391 10.456 -1.340 1.00 0.31 H new ATOM 0 HB2 LYS A 56 -7.055 10.764 -0.595 1.00 0.35 H new ATOM 0 HB3 LYS A 56 -6.498 9.944 -2.040 1.00 0.35 H new ATOM 0 HG2 LYS A 56 -6.522 12.545 -1.959 1.00 0.45 H new ATOM 0 HG3 LYS A 56 -7.003 11.718 -3.427 1.00 0.45 H new ATOM 0 HD2 LYS A 56 -8.529 13.584 -2.862 1.00 0.49 H new ATOM 0 HD3 LYS A 56 -9.363 12.044 -2.914 1.00 0.49 H new ATOM 0 HE2 LYS A 56 -9.446 11.889 -0.526 1.00 0.38 H new ATOM 0 HE3 LYS A 56 -8.290 13.190 -0.325 1.00 0.38 H new ATOM 0 HZ1 LYS A 56 -10.554 13.910 0.106 1.00 0.44 H new ATOM 0 HZ2 LYS A 56 -9.899 14.744 -1.220 1.00 0.44 H new ATOM 0 HZ3 LYS A 56 -11.016 13.491 -1.473 1.00 0.44 H new ATOM 920 N ILE A 57 -9.246 8.057 -3.217 1.00 0.36 N ATOM 921 CA ILE A 57 -9.702 7.401 -4.428 1.00 0.43 C ATOM 922 C ILE A 57 -10.810 8.197 -5.114 1.00 0.38 C ATOM 923 O ILE A 57 -11.689 8.749 -4.451 1.00 0.45 O ATOM 924 CB ILE A 57 -10.241 5.996 -4.063 1.00 0.57 C ATOM 925 CG1 ILE A 57 -10.645 5.197 -5.294 1.00 0.93 C ATOM 926 CG2 ILE A 57 -11.412 6.106 -3.104 1.00 0.71 C ATOM 927 CD1 ILE A 57 -9.496 4.438 -5.897 1.00 1.79 C ATOM 0 H ILE A 57 -9.158 7.419 -2.426 1.00 0.36 H new ATOM 0 HA ILE A 57 -8.860 7.328 -5.117 1.00 0.43 H new ATOM 0 HB ILE A 57 -9.427 5.459 -3.576 1.00 0.57 H new ATOM 0 HG12 ILE A 57 -11.436 4.497 -5.024 1.00 0.93 H new ATOM 0 HG13 ILE A 57 -11.060 5.874 -6.041 1.00 0.93 H new ATOM 0 HG21 ILE A 57 -11.777 5.108 -2.859 1.00 0.71 H new ATOM 0 HG22 ILE A 57 -11.089 6.608 -2.192 1.00 0.71 H new ATOM 0 HG23 ILE A 57 -12.212 6.681 -3.571 1.00 0.71 H new ATOM 0 HD11 ILE A 57 -9.843 3.887 -6.771 1.00 1.79 H new ATOM 0 HD12 ILE A 57 -8.715 5.137 -6.195 1.00 1.79 H new ATOM 0 HD13 ILE A 57 -9.096 3.739 -5.162 1.00 1.79 H new ATOM 939 N PRO A 58 -10.763 8.300 -6.446 1.00 0.34 N ATOM 940 CA PRO A 58 -11.868 8.848 -7.251 1.00 0.31 C ATOM 941 C PRO A 58 -13.141 7.990 -7.189 1.00 0.41 C ATOM 942 O PRO A 58 -13.906 7.921 -8.150 1.00 1.18 O ATOM 943 CB PRO A 58 -11.301 8.847 -8.667 1.00 0.46 C ATOM 944 CG PRO A 58 -9.824 8.791 -8.495 1.00 0.70 C ATOM 945 CD PRO A 58 -9.599 7.964 -7.277 1.00 0.41 C ATOM 0 HA PRO A 58 -12.177 9.829 -6.891 1.00 0.31 H new ATOM 0 HB2 PRO A 58 -11.664 7.991 -9.236 1.00 0.46 H new ATOM 0 HB3 PRO A 58 -11.600 9.742 -9.212 1.00 0.46 H new ATOM 0 HG2 PRO A 58 -9.344 8.346 -9.366 1.00 0.70 H new ATOM 0 HG3 PRO A 58 -9.404 9.790 -8.375 1.00 0.70 H new ATOM 0 HD2 PRO A 58 -9.560 6.900 -7.510 1.00 0.41 H new ATOM 0 HD3 PRO A 58 -8.661 8.216 -6.783 1.00 0.41 H new ATOM 953 N GLY A 59 -13.367 7.370 -6.039 1.00 0.86 N ATOM 954 CA GLY A 59 -14.525 6.525 -5.826 1.00 0.93 C ATOM 955 C GLY A 59 -14.939 6.522 -4.365 1.00 0.80 C ATOM 956 O GLY A 59 -15.333 7.559 -3.829 1.00 1.71 O ATOM 0 H GLY A 59 -12.750 7.441 -5.230 1.00 0.86 H new ATOM 0 HA2 GLY A 59 -15.353 6.876 -6.441 1.00 0.93 H new ATOM 0 HA3 GLY A 59 -14.300 5.507 -6.145 1.00 0.93 H new ATOM 960 N MET A 60 -14.832 5.367 -3.713 1.00 0.77 N ATOM 961 CA MET A 60 -15.153 5.251 -2.292 1.00 0.49 C ATOM 962 C MET A 60 -13.971 4.668 -1.524 1.00 0.60 C ATOM 963 O MET A 60 -13.249 3.819 -2.045 1.00 1.30 O ATOM 964 CB MET A 60 -16.388 4.370 -2.082 1.00 0.65 C ATOM 965 CG MET A 60 -17.661 4.932 -2.693 1.00 0.83 C ATOM 966 SD MET A 60 -18.124 6.534 -1.998 1.00 1.92 S ATOM 967 CE MET A 60 -18.396 6.099 -0.282 1.00 2.52 C ATOM 0 H MET A 60 -14.525 4.496 -4.147 1.00 0.77 H new ATOM 0 HA MET A 60 -15.367 6.251 -1.914 1.00 0.49 H new ATOM 0 HB2 MET A 60 -16.196 3.386 -2.509 1.00 0.65 H new ATOM 0 HB3 MET A 60 -16.543 4.228 -1.012 1.00 0.65 H new ATOM 0 HG2 MET A 60 -17.527 5.033 -3.770 1.00 0.83 H new ATOM 0 HG3 MET A 60 -18.476 4.225 -2.538 1.00 0.83 H new ATOM 0 HE1 MET A 60 -18.967 6.888 0.207 1.00 2.52 H new ATOM 0 HE2 MET A 60 -18.951 5.162 -0.228 1.00 2.52 H new ATOM 0 HE3 MET A 60 -17.436 5.982 0.220 1.00 2.52 H new ATOM 977 N ASP A 61 -13.775 5.135 -0.290 1.00 0.36 N ATOM 978 CA ASP A 61 -12.667 4.676 0.555 1.00 0.35 C ATOM 979 C ASP A 61 -12.656 3.166 0.724 1.00 0.47 C ATOM 980 O ASP A 61 -13.701 2.521 0.821 1.00 1.11 O ATOM 981 CB ASP A 61 -12.713 5.314 1.951 1.00 0.42 C ATOM 982 CG ASP A 61 -14.111 5.424 2.513 1.00 0.68 C ATOM 983 OD1 ASP A 61 -14.798 6.424 2.214 1.00 0.99 O ATOM 984 OD2 ASP A 61 -14.537 4.509 3.246 1.00 1.07 O ATOM 0 H ASP A 61 -14.372 5.835 0.150 1.00 0.36 H new ATOM 0 HA ASP A 61 -11.760 4.986 0.037 1.00 0.35 H new ATOM 0 HB2 ASP A 61 -12.100 4.724 2.633 1.00 0.42 H new ATOM 0 HB3 ASP A 61 -12.269 6.308 1.903 1.00 0.42 H new ATOM 989 N GLY A 62 -11.452 2.619 0.782 1.00 0.36 N ATOM 990 CA GLY A 62 -11.282 1.211 1.060 1.00 0.32 C ATOM 991 C GLY A 62 -11.221 0.939 2.556 1.00 0.29 C ATOM 992 O GLY A 62 -10.631 -0.042 2.993 1.00 0.31 O ATOM 0 H GLY A 62 -10.582 3.132 0.640 1.00 0.36 H new ATOM 0 HA2 GLY A 62 -12.107 0.651 0.621 1.00 0.32 H new ATOM 0 HA3 GLY A 62 -10.367 0.854 0.587 1.00 0.32 H new ATOM 996 N ILE A 63 -11.835 1.811 3.345 1.00 0.28 N ATOM 997 CA ILE A 63 -11.794 1.699 4.800 1.00 0.29 C ATOM 998 C ILE A 63 -12.449 0.392 5.279 1.00 0.29 C ATOM 999 O ILE A 63 -11.818 -0.395 5.987 1.00 0.31 O ATOM 1000 CB ILE A 63 -12.471 2.927 5.461 1.00 0.30 C ATOM 1001 CG1 ILE A 63 -11.487 4.106 5.610 1.00 0.34 C ATOM 1002 CG2 ILE A 63 -13.054 2.570 6.827 1.00 0.41 C ATOM 1003 CD1 ILE A 63 -10.680 4.442 4.376 1.00 0.52 C ATOM 0 H ILE A 63 -12.370 2.608 3.001 1.00 0.28 H new ATOM 0 HA ILE A 63 -10.748 1.676 5.104 1.00 0.29 H new ATOM 0 HB ILE A 63 -13.282 3.233 4.800 1.00 0.30 H new ATOM 0 HG12 ILE A 63 -12.050 4.991 5.906 1.00 0.34 H new ATOM 0 HG13 ILE A 63 -10.797 3.880 6.423 1.00 0.34 H new ATOM 0 HG21 ILE A 63 -13.522 3.452 7.265 1.00 0.41 H new ATOM 0 HG22 ILE A 63 -13.800 1.784 6.710 1.00 0.41 H new ATOM 0 HG23 ILE A 63 -12.257 2.219 7.482 1.00 0.41 H new ATOM 0 HD11 ILE A 63 -10.022 5.284 4.590 1.00 0.52 H new ATOM 0 HD12 ILE A 63 -10.082 3.578 4.086 1.00 0.52 H new ATOM 0 HD13 ILE A 63 -11.354 4.706 3.561 1.00 0.52 H new ATOM 1015 N GLU A 64 -13.706 0.156 4.876 1.00 0.31 N ATOM 1016 CA GLU A 64 -14.382 -1.118 5.161 1.00 0.35 C ATOM 1017 C GLU A 64 -13.580 -2.275 4.588 1.00 0.29 C ATOM 1018 O GLU A 64 -13.671 -3.405 5.047 1.00 0.28 O ATOM 1019 CB GLU A 64 -15.781 -1.155 4.547 1.00 0.46 C ATOM 1020 CG GLU A 64 -16.824 -0.379 5.324 1.00 0.73 C ATOM 1021 CD GLU A 64 -18.214 -0.555 4.742 1.00 1.14 C ATOM 1022 OE1 GLU A 64 -18.838 -1.613 4.990 1.00 1.69 O ATOM 1023 OE2 GLU A 64 -18.688 0.356 4.028 1.00 1.63 O ATOM 0 H GLU A 64 -14.272 0.826 4.355 1.00 0.31 H new ATOM 0 HA GLU A 64 -14.462 -1.208 6.244 1.00 0.35 H new ATOM 0 HB2 GLU A 64 -15.731 -0.758 3.533 1.00 0.46 H new ATOM 0 HB3 GLU A 64 -16.103 -2.193 4.467 1.00 0.46 H new ATOM 0 HG2 GLU A 64 -16.822 -0.709 6.363 1.00 0.73 H new ATOM 0 HG3 GLU A 64 -16.563 0.679 5.325 1.00 0.73 H new ATOM 1030 N ILE A 65 -12.790 -1.971 3.582 1.00 0.26 N ATOM 1031 CA ILE A 65 -12.007 -2.969 2.887 1.00 0.24 C ATOM 1032 C ILE A 65 -10.901 -3.517 3.784 1.00 0.24 C ATOM 1033 O ILE A 65 -10.807 -4.725 3.989 1.00 0.24 O ATOM 1034 CB ILE A 65 -11.387 -2.367 1.617 1.00 0.23 C ATOM 1035 CG1 ILE A 65 -12.478 -1.771 0.717 1.00 0.38 C ATOM 1036 CG2 ILE A 65 -10.551 -3.398 0.880 1.00 0.26 C ATOM 1037 CD1 ILE A 65 -13.698 -2.641 0.558 1.00 0.50 C ATOM 0 H ILE A 65 -12.672 -1.024 3.222 1.00 0.26 H new ATOM 0 HA ILE A 65 -12.672 -3.788 2.613 1.00 0.24 H new ATOM 0 HB ILE A 65 -10.718 -1.557 1.908 1.00 0.23 H new ATOM 0 HG12 ILE A 65 -12.784 -0.808 1.127 1.00 0.38 H new ATOM 0 HG13 ILE A 65 -12.054 -1.578 -0.268 1.00 0.38 H new ATOM 0 HG21 ILE A 65 -10.123 -2.947 -0.015 1.00 0.26 H new ATOM 0 HG22 ILE A 65 -9.748 -3.747 1.529 1.00 0.26 H new ATOM 0 HG23 ILE A 65 -11.181 -4.241 0.596 1.00 0.26 H new ATOM 0 HD11 ILE A 65 -14.417 -2.144 -0.093 1.00 0.50 H new ATOM 0 HD12 ILE A 65 -13.409 -3.595 0.118 1.00 0.50 H new ATOM 0 HD13 ILE A 65 -14.151 -2.814 1.534 1.00 0.50 H new ATOM 1049 N ALA A 66 -10.075 -2.622 4.321 1.00 0.25 N ATOM 1050 CA ALA A 66 -9.026 -3.021 5.256 1.00 0.26 C ATOM 1051 C ALA A 66 -9.656 -3.605 6.508 1.00 0.24 C ATOM 1052 O ALA A 66 -9.101 -4.488 7.143 1.00 0.26 O ATOM 1053 CB ALA A 66 -8.142 -1.837 5.614 1.00 0.28 C ATOM 0 H ALA A 66 -10.111 -1.621 4.126 1.00 0.25 H new ATOM 0 HA ALA A 66 -8.401 -3.777 4.780 1.00 0.26 H new ATOM 0 HB1 ALA A 66 -7.368 -2.158 6.311 1.00 0.28 H new ATOM 0 HB2 ALA A 66 -7.676 -1.445 4.710 1.00 0.28 H new ATOM 0 HB3 ALA A 66 -8.747 -1.058 6.077 1.00 0.28 H new ATOM 1059 N LYS A 67 -10.828 -3.092 6.837 1.00 0.23 N ATOM 1060 CA LYS A 67 -11.652 -3.625 7.909 1.00 0.23 C ATOM 1061 C LYS A 67 -11.925 -5.116 7.695 1.00 0.24 C ATOM 1062 O LYS A 67 -11.666 -5.944 8.566 1.00 0.29 O ATOM 1063 CB LYS A 67 -12.943 -2.805 7.938 1.00 0.26 C ATOM 1064 CG LYS A 67 -14.221 -3.574 8.197 1.00 0.38 C ATOM 1065 CD LYS A 67 -14.485 -3.742 9.675 1.00 0.41 C ATOM 1066 CE LYS A 67 -15.876 -3.247 10.016 1.00 0.72 C ATOM 1067 NZ LYS A 67 -16.165 -3.335 11.468 1.00 1.05 N ATOM 0 H LYS A 67 -11.239 -2.287 6.364 1.00 0.23 H new ATOM 0 HA LYS A 67 -11.143 -3.545 8.869 1.00 0.23 H new ATOM 0 HB2 LYS A 67 -12.844 -2.038 8.706 1.00 0.26 H new ATOM 0 HB3 LYS A 67 -13.042 -2.289 6.983 1.00 0.26 H new ATOM 0 HG2 LYS A 67 -15.059 -3.052 7.735 1.00 0.38 H new ATOM 0 HG3 LYS A 67 -14.157 -4.555 7.725 1.00 0.38 H new ATOM 0 HD2 LYS A 67 -14.386 -4.791 9.953 1.00 0.41 H new ATOM 0 HD3 LYS A 67 -13.743 -3.188 10.250 1.00 0.41 H new ATOM 0 HE2 LYS A 67 -15.981 -2.213 9.689 1.00 0.72 H new ATOM 0 HE3 LYS A 67 -16.613 -3.832 9.465 1.00 0.72 H new ATOM 0 HZ1 LYS A 67 -17.127 -2.986 11.652 1.00 1.05 H new ATOM 0 HZ2 LYS A 67 -16.091 -4.325 11.777 1.00 1.05 H new ATOM 0 HZ3 LYS A 67 -15.480 -2.756 11.994 1.00 1.05 H new ATOM 1081 N ARG A 68 -12.410 -5.451 6.511 1.00 0.22 N ATOM 1082 CA ARG A 68 -12.718 -6.827 6.160 1.00 0.23 C ATOM 1083 C ARG A 68 -11.437 -7.623 5.992 1.00 0.24 C ATOM 1084 O ARG A 68 -11.387 -8.820 6.266 1.00 0.29 O ATOM 1085 CB ARG A 68 -13.535 -6.851 4.870 1.00 0.25 C ATOM 1086 CG ARG A 68 -14.857 -6.120 5.003 1.00 0.28 C ATOM 1087 CD ARG A 68 -15.379 -5.638 3.657 1.00 0.30 C ATOM 1088 NE ARG A 68 -16.578 -4.813 3.814 1.00 0.84 N ATOM 1089 CZ ARG A 68 -17.553 -4.721 2.909 1.00 0.93 C ATOM 1090 NH1 ARG A 68 -17.517 -5.461 1.804 1.00 0.68 N ATOM 1091 NH2 ARG A 68 -18.573 -3.896 3.121 1.00 1.58 N ATOM 0 H ARG A 68 -12.601 -4.779 5.768 1.00 0.22 H new ATOM 0 HA ARG A 68 -13.302 -7.283 6.960 1.00 0.23 H new ATOM 0 HB2 ARG A 68 -12.953 -6.398 4.067 1.00 0.25 H new ATOM 0 HB3 ARG A 68 -13.723 -7.885 4.583 1.00 0.25 H new ATOM 0 HG2 ARG A 68 -15.592 -6.781 5.462 1.00 0.28 H new ATOM 0 HG3 ARG A 68 -14.734 -5.267 5.671 1.00 0.28 H new ATOM 0 HD2 ARG A 68 -14.604 -5.064 3.149 1.00 0.30 H new ATOM 0 HD3 ARG A 68 -15.606 -6.496 3.025 1.00 0.30 H new ATOM 0 HE ARG A 68 -16.674 -4.272 4.673 1.00 0.84 H new ATOM 0 HH11 ARG A 68 -16.741 -6.103 1.645 1.00 0.68 H new ATOM 0 HH12 ARG A 68 -18.266 -5.386 1.115 1.00 0.68 H new ATOM 0 HH21 ARG A 68 -18.608 -3.336 3.973 1.00 1.58 H new ATOM 0 HH22 ARG A 68 -19.321 -3.822 2.432 1.00 1.58 H new ATOM 1105 N MET A 69 -10.393 -6.945 5.555 1.00 0.23 N ATOM 1106 CA MET A 69 -9.103 -7.577 5.366 1.00 0.26 C ATOM 1107 C MET A 69 -8.335 -7.682 6.687 1.00 0.18 C ATOM 1108 O MET A 69 -7.350 -8.411 6.782 1.00 0.19 O ATOM 1109 CB MET A 69 -8.309 -6.849 4.276 1.00 0.42 C ATOM 1110 CG MET A 69 -8.756 -7.188 2.841 1.00 0.60 C ATOM 1111 SD MET A 69 -8.826 -8.969 2.511 1.00 2.21 S ATOM 1112 CE MET A 69 -10.375 -9.453 3.270 1.00 3.06 C ATOM 0 H MET A 69 -10.414 -5.952 5.323 1.00 0.23 H new ATOM 0 HA MET A 69 -9.260 -8.600 5.024 1.00 0.26 H new ATOM 0 HB2 MET A 69 -8.402 -5.774 4.430 1.00 0.42 H new ATOM 0 HB3 MET A 69 -7.253 -7.096 4.384 1.00 0.42 H new ATOM 0 HG2 MET A 69 -9.740 -6.754 2.663 1.00 0.60 H new ATOM 0 HG3 MET A 69 -8.069 -6.722 2.135 1.00 0.60 H new ATOM 0 HE1 MET A 69 -10.174 -10.071 4.145 1.00 3.06 H new ATOM 0 HE2 MET A 69 -10.926 -8.562 3.573 1.00 3.06 H new ATOM 0 HE3 MET A 69 -10.969 -10.021 2.554 1.00 3.06 H new ATOM 1122 N LYS A 70 -8.795 -6.977 7.722 1.00 0.19 N ATOM 1123 CA LYS A 70 -8.312 -7.245 9.068 1.00 0.20 C ATOM 1124 C LYS A 70 -9.202 -8.303 9.695 1.00 0.19 C ATOM 1125 O LYS A 70 -8.841 -8.942 10.674 1.00 0.23 O ATOM 1126 CB LYS A 70 -8.243 -5.996 9.964 1.00 0.27 C ATOM 1127 CG LYS A 70 -9.527 -5.672 10.718 1.00 0.34 C ATOM 1128 CD LYS A 70 -9.237 -4.968 12.037 1.00 0.40 C ATOM 1129 CE LYS A 70 -8.426 -5.831 12.996 1.00 0.47 C ATOM 1130 NZ LYS A 70 -9.256 -6.862 13.673 1.00 0.75 N ATOM 0 H LYS A 70 -9.488 -6.231 7.653 1.00 0.19 H new ATOM 0 HA LYS A 70 -7.284 -7.597 8.985 1.00 0.20 H new ATOM 0 HB2 LYS A 70 -7.439 -6.130 10.687 1.00 0.27 H new ATOM 0 HB3 LYS A 70 -7.976 -5.139 9.346 1.00 0.27 H new ATOM 0 HG2 LYS A 70 -10.164 -5.040 10.099 1.00 0.34 H new ATOM 0 HG3 LYS A 70 -10.080 -6.592 10.909 1.00 0.34 H new ATOM 0 HD2 LYS A 70 -8.695 -4.043 11.839 1.00 0.40 H new ATOM 0 HD3 LYS A 70 -10.178 -4.691 12.511 1.00 0.40 H new ATOM 0 HE2 LYS A 70 -7.621 -6.320 12.448 1.00 0.47 H new ATOM 0 HE3 LYS A 70 -7.959 -5.194 13.747 1.00 0.47 H new ATOM 0 HZ1 LYS A 70 -8.659 -7.422 14.314 1.00 0.75 H new ATOM 0 HZ2 LYS A 70 -10.009 -6.397 14.219 1.00 0.75 H new ATOM 0 HZ3 LYS A 70 -9.681 -7.488 12.960 1.00 0.75 H new ATOM 1144 N VAL A 71 -10.381 -8.472 9.125 1.00 0.19 N ATOM 1145 CA VAL A 71 -11.217 -9.609 9.455 1.00 0.23 C ATOM 1146 C VAL A 71 -10.630 -10.876 8.819 1.00 0.27 C ATOM 1147 O VAL A 71 -10.788 -11.982 9.337 1.00 0.32 O ATOM 1148 CB VAL A 71 -12.678 -9.371 8.992 1.00 0.25 C ATOM 1149 CG1 VAL A 71 -13.493 -10.655 9.010 1.00 0.32 C ATOM 1150 CG2 VAL A 71 -13.342 -8.320 9.869 1.00 0.25 C ATOM 0 H VAL A 71 -10.780 -7.837 8.433 1.00 0.19 H new ATOM 0 HA VAL A 71 -11.237 -9.738 10.537 1.00 0.23 H new ATOM 0 HB VAL A 71 -12.643 -9.015 7.962 1.00 0.25 H new ATOM 0 HG11 VAL A 71 -14.510 -10.445 8.679 1.00 0.32 H new ATOM 0 HG12 VAL A 71 -13.037 -11.385 8.341 1.00 0.32 H new ATOM 0 HG13 VAL A 71 -13.517 -11.057 10.023 1.00 0.32 H new ATOM 0 HG21 VAL A 71 -14.367 -8.162 9.534 1.00 0.25 H new ATOM 0 HG22 VAL A 71 -13.347 -8.660 10.904 1.00 0.25 H new ATOM 0 HG23 VAL A 71 -12.788 -7.384 9.798 1.00 0.25 H new ATOM 1160 N ILE A 72 -9.916 -10.691 7.711 1.00 0.25 N ATOM 1161 CA ILE A 72 -9.282 -11.802 7.007 1.00 0.30 C ATOM 1162 C ILE A 72 -7.847 -12.065 7.512 1.00 0.29 C ATOM 1163 O ILE A 72 -7.442 -13.220 7.652 1.00 0.40 O ATOM 1164 CB ILE A 72 -9.286 -11.554 5.465 1.00 0.34 C ATOM 1165 CG1 ILE A 72 -9.883 -12.751 4.707 1.00 0.59 C ATOM 1166 CG2 ILE A 72 -7.898 -11.228 4.924 1.00 0.33 C ATOM 1167 CD1 ILE A 72 -9.160 -14.060 4.942 1.00 1.11 C ATOM 0 H ILE A 72 -9.762 -9.779 7.281 1.00 0.25 H new ATOM 0 HA ILE A 72 -9.869 -12.695 7.219 1.00 0.30 H new ATOM 0 HB ILE A 72 -9.918 -10.682 5.297 1.00 0.34 H new ATOM 0 HG12 ILE A 72 -10.926 -12.868 5.000 1.00 0.59 H new ATOM 0 HG13 ILE A 72 -9.874 -12.531 3.639 1.00 0.59 H new ATOM 0 HG21 ILE A 72 -7.956 -11.064 3.848 1.00 0.33 H new ATOM 0 HG22 ILE A 72 -7.521 -10.327 5.408 1.00 0.33 H new ATOM 0 HG23 ILE A 72 -7.223 -12.059 5.129 1.00 0.33 H new ATOM 0 HD11 ILE A 72 -9.645 -14.851 4.371 1.00 1.11 H new ATOM 0 HD12 ILE A 72 -8.122 -13.965 4.622 1.00 1.11 H new ATOM 0 HD13 ILE A 72 -9.191 -14.307 6.003 1.00 1.11 H new ATOM 1179 N ASP A 73 -7.083 -11.006 7.798 1.00 0.21 N ATOM 1180 CA ASP A 73 -5.666 -11.171 8.148 1.00 0.21 C ATOM 1181 C ASP A 73 -5.272 -10.347 9.379 1.00 0.22 C ATOM 1182 O ASP A 73 -4.180 -10.512 9.918 1.00 0.26 O ATOM 1183 CB ASP A 73 -4.789 -10.771 6.957 1.00 0.23 C ATOM 1184 CG ASP A 73 -3.344 -11.194 7.127 1.00 0.30 C ATOM 1185 OD1 ASP A 73 -3.009 -12.341 6.771 1.00 0.48 O ATOM 1186 OD2 ASP A 73 -2.535 -10.377 7.624 1.00 0.29 O ATOM 0 H ASP A 73 -7.413 -10.041 7.795 1.00 0.21 H new ATOM 0 HA ASP A 73 -5.510 -12.222 8.393 1.00 0.21 H new ATOM 0 HB2 ASP A 73 -5.190 -11.220 6.048 1.00 0.23 H new ATOM 0 HB3 ASP A 73 -4.834 -9.690 6.825 1.00 0.23 H new ATOM 1191 N GLU A 74 -6.164 -9.456 9.800 1.00 0.22 N ATOM 1192 CA GLU A 74 -5.958 -8.593 10.980 1.00 0.35 C ATOM 1193 C GLU A 74 -4.971 -7.446 10.721 1.00 0.43 C ATOM 1194 O GLU A 74 -5.027 -6.424 11.402 1.00 0.98 O ATOM 1195 CB GLU A 74 -5.514 -9.411 12.201 1.00 0.44 C ATOM 1196 CG GLU A 74 -5.341 -8.579 13.458 1.00 0.62 C ATOM 1197 CD GLU A 74 -4.704 -9.351 14.589 1.00 0.80 C ATOM 1198 OE1 GLU A 74 -3.512 -9.706 14.477 1.00 0.92 O ATOM 1199 OE2 GLU A 74 -5.392 -9.609 15.596 1.00 1.00 O ATOM 0 H GLU A 74 -7.059 -9.304 9.335 1.00 0.22 H new ATOM 0 HA GLU A 74 -6.927 -8.140 11.191 1.00 0.35 H new ATOM 0 HB2 GLU A 74 -6.249 -10.193 12.391 1.00 0.44 H new ATOM 0 HB3 GLU A 74 -4.572 -9.908 11.972 1.00 0.44 H new ATOM 0 HG2 GLU A 74 -4.728 -7.707 13.229 1.00 0.62 H new ATOM 0 HG3 GLU A 74 -6.314 -8.209 13.780 1.00 0.62 H new ATOM 1206 N ASN A 75 -4.080 -7.608 9.749 1.00 0.18 N ATOM 1207 CA ASN A 75 -3.096 -6.579 9.404 1.00 0.22 C ATOM 1208 C ASN A 75 -2.295 -7.012 8.203 1.00 0.19 C ATOM 1209 O ASN A 75 -1.131 -7.392 8.298 1.00 0.24 O ATOM 1210 CB ASN A 75 -2.164 -6.217 10.572 1.00 0.31 C ATOM 1211 CG ASN A 75 -1.566 -7.424 11.274 1.00 0.35 C ATOM 1212 OD1 ASN A 75 -0.484 -7.898 10.928 1.00 0.41 O ATOM 1213 ND2 ASN A 75 -2.265 -7.919 12.278 1.00 0.37 N ATOM 0 H ASN A 75 -4.016 -8.451 9.178 1.00 0.18 H new ATOM 0 HA ASN A 75 -3.655 -5.674 9.166 1.00 0.22 H new ATOM 0 HB2 ASN A 75 -1.356 -5.588 10.199 1.00 0.31 H new ATOM 0 HB3 ASN A 75 -2.720 -5.624 11.298 1.00 0.31 H new ATOM 0 HD21 ASN A 75 -1.912 -8.723 12.798 1.00 0.37 H new ATOM 0 HD22 ASN A 75 -3.158 -7.498 12.534 1.00 0.37 H new ATOM 1220 N ILE A 76 -2.940 -6.932 7.063 1.00 0.21 N ATOM 1221 CA ILE A 76 -2.326 -7.297 5.802 1.00 0.23 C ATOM 1222 C ILE A 76 -1.442 -6.142 5.297 1.00 0.21 C ATOM 1223 O ILE A 76 -1.232 -5.956 4.098 1.00 0.27 O ATOM 1224 CB ILE A 76 -3.406 -7.700 4.769 1.00 0.30 C ATOM 1225 CG1 ILE A 76 -2.756 -8.314 3.530 1.00 0.49 C ATOM 1226 CG2 ILE A 76 -4.296 -6.519 4.403 1.00 0.35 C ATOM 1227 CD1 ILE A 76 -2.054 -9.623 3.811 1.00 0.83 C ATOM 0 H ILE A 76 -3.905 -6.612 6.980 1.00 0.21 H new ATOM 0 HA ILE A 76 -1.685 -8.166 5.949 1.00 0.23 H new ATOM 0 HB ILE A 76 -4.047 -8.454 5.226 1.00 0.30 H new ATOM 0 HG12 ILE A 76 -3.520 -8.475 2.769 1.00 0.49 H new ATOM 0 HG13 ILE A 76 -2.038 -7.606 3.116 1.00 0.49 H new ATOM 0 HG21 ILE A 76 -5.043 -6.838 3.676 1.00 0.35 H new ATOM 0 HG22 ILE A 76 -4.796 -6.149 5.298 1.00 0.35 H new ATOM 0 HG23 ILE A 76 -3.687 -5.724 3.973 1.00 0.35 H new ATOM 0 HD11 ILE A 76 -1.614 -10.005 2.890 1.00 0.83 H new ATOM 0 HD12 ILE A 76 -1.268 -9.463 4.549 1.00 0.83 H new ATOM 0 HD13 ILE A 76 -2.773 -10.346 4.197 1.00 0.83 H new ATOM 1239 N ARG A 77 -0.916 -5.378 6.259 1.00 0.20 N ATOM 1240 CA ARG A 77 0.061 -4.326 6.001 1.00 0.19 C ATOM 1241 C ARG A 77 -0.531 -3.213 5.143 1.00 0.16 C ATOM 1242 O ARG A 77 0.081 -2.786 4.168 1.00 0.16 O ATOM 1243 CB ARG A 77 1.286 -4.906 5.292 1.00 0.26 C ATOM 1244 CG ARG A 77 1.939 -6.077 6.009 1.00 0.31 C ATOM 1245 CD ARG A 77 2.680 -5.659 7.261 1.00 0.39 C ATOM 1246 NE ARG A 77 3.881 -6.470 7.458 1.00 0.74 N ATOM 1247 CZ ARG A 77 4.893 -6.133 8.251 1.00 1.32 C ATOM 1248 NH1 ARG A 77 4.837 -5.028 8.983 1.00 1.92 N ATOM 1249 NH2 ARG A 77 5.955 -6.919 8.323 1.00 1.62 N ATOM 0 H ARG A 77 -1.161 -5.476 7.244 1.00 0.20 H new ATOM 0 HA ARG A 77 0.352 -3.906 6.964 1.00 0.19 H new ATOM 0 HB2 ARG A 77 0.992 -5.227 4.293 1.00 0.26 H new ATOM 0 HB3 ARG A 77 2.026 -4.115 5.168 1.00 0.26 H new ATOM 0 HG2 ARG A 77 1.175 -6.808 6.272 1.00 0.31 H new ATOM 0 HG3 ARG A 77 2.633 -6.572 5.330 1.00 0.31 H new ATOM 0 HD2 ARG A 77 2.956 -4.607 7.190 1.00 0.39 H new ATOM 0 HD3 ARG A 77 2.024 -5.759 8.126 1.00 0.39 H new ATOM 0 HE ARG A 77 3.946 -7.354 6.953 1.00 0.74 H new ATOM 0 HH11 ARG A 77 4.012 -4.429 8.940 1.00 1.92 H new ATOM 0 HH12 ARG A 77 5.618 -4.777 9.589 1.00 1.92 H new ATOM 0 HH21 ARG A 77 5.993 -7.777 7.772 1.00 1.62 H new ATOM 0 HH22 ARG A 77 6.736 -6.667 8.929 1.00 1.62 H new ATOM 1263 N VAL A 78 -1.714 -2.739 5.504 1.00 0.17 N ATOM 1264 CA VAL A 78 -2.379 -1.705 4.713 1.00 0.17 C ATOM 1265 C VAL A 78 -1.781 -0.299 4.926 1.00 0.16 C ATOM 1266 O VAL A 78 -1.507 0.123 6.043 1.00 0.23 O ATOM 1267 CB VAL A 78 -3.896 -1.672 5.002 1.00 0.18 C ATOM 1268 CG1 VAL A 78 -4.568 -0.538 4.246 1.00 0.40 C ATOM 1269 CG2 VAL A 78 -4.537 -3.001 4.644 1.00 0.35 C ATOM 0 H VAL A 78 -2.231 -3.046 6.328 1.00 0.17 H new ATOM 0 HA VAL A 78 -2.211 -1.976 3.671 1.00 0.17 H new ATOM 0 HB VAL A 78 -4.032 -1.498 6.069 1.00 0.18 H new ATOM 0 HG11 VAL A 78 -5.636 -0.536 4.466 1.00 0.40 H new ATOM 0 HG12 VAL A 78 -4.132 0.413 4.554 1.00 0.40 H new ATOM 0 HG13 VAL A 78 -4.419 -0.676 3.175 1.00 0.40 H new ATOM 0 HG21 VAL A 78 -5.606 -2.958 4.855 1.00 0.35 H new ATOM 0 HG22 VAL A 78 -4.384 -3.205 3.584 1.00 0.35 H new ATOM 0 HG23 VAL A 78 -4.082 -3.795 5.236 1.00 0.35 H new ATOM 1279 N ILE A 79 -1.557 0.401 3.826 1.00 0.13 N ATOM 1280 CA ILE A 79 -1.207 1.809 3.852 1.00 0.14 C ATOM 1281 C ILE A 79 -2.281 2.593 3.110 1.00 0.12 C ATOM 1282 O ILE A 79 -2.480 2.408 1.915 1.00 0.18 O ATOM 1283 CB ILE A 79 0.178 2.099 3.219 1.00 0.19 C ATOM 1284 CG1 ILE A 79 1.318 1.568 4.094 1.00 0.27 C ATOM 1285 CG2 ILE A 79 0.362 3.587 2.968 1.00 0.24 C ATOM 1286 CD1 ILE A 79 1.544 0.080 3.967 1.00 0.45 C ATOM 0 H ILE A 79 -1.613 0.006 2.887 1.00 0.13 H new ATOM 0 HA ILE A 79 -1.146 2.116 4.896 1.00 0.14 H new ATOM 0 HB ILE A 79 0.211 1.576 2.263 1.00 0.19 H new ATOM 0 HG12 ILE A 79 2.238 2.089 3.831 1.00 0.27 H new ATOM 0 HG13 ILE A 79 1.104 1.806 5.136 1.00 0.27 H new ATOM 0 HG21 ILE A 79 1.342 3.763 2.524 1.00 0.24 H new ATOM 0 HG22 ILE A 79 -0.413 3.940 2.288 1.00 0.24 H new ATOM 0 HG23 ILE A 79 0.290 4.127 3.912 1.00 0.24 H new ATOM 0 HD11 ILE A 79 2.367 -0.220 4.616 1.00 0.45 H new ATOM 0 HD12 ILE A 79 0.639 -0.452 4.259 1.00 0.45 H new ATOM 0 HD13 ILE A 79 1.790 -0.164 2.934 1.00 0.45 H new ATOM 1298 N ILE A 80 -2.994 3.434 3.826 1.00 0.13 N ATOM 1299 CA ILE A 80 -4.103 4.173 3.242 1.00 0.15 C ATOM 1300 C ILE A 80 -3.715 5.621 2.941 1.00 0.16 C ATOM 1301 O ILE A 80 -3.130 6.305 3.774 1.00 0.17 O ATOM 1302 CB ILE A 80 -5.345 4.109 4.151 1.00 0.16 C ATOM 1303 CG1 ILE A 80 -6.304 5.266 3.863 1.00 0.18 C ATOM 1304 CG2 ILE A 80 -4.939 4.074 5.616 1.00 0.17 C ATOM 1305 CD1 ILE A 80 -7.482 5.318 4.805 1.00 0.22 C ATOM 0 H ILE A 80 -2.830 3.627 4.814 1.00 0.13 H new ATOM 0 HA ILE A 80 -4.353 3.698 2.293 1.00 0.15 H new ATOM 0 HB ILE A 80 -5.878 3.184 3.930 1.00 0.16 H new ATOM 0 HG12 ILE A 80 -5.756 6.206 3.926 1.00 0.18 H new ATOM 0 HG13 ILE A 80 -6.670 5.178 2.840 1.00 0.18 H new ATOM 0 HG21 ILE A 80 -5.832 4.029 6.240 1.00 0.17 H new ATOM 0 HG22 ILE A 80 -4.322 3.195 5.802 1.00 0.17 H new ATOM 0 HG23 ILE A 80 -4.372 4.973 5.858 1.00 0.17 H new ATOM 0 HD11 ILE A 80 -8.120 6.162 4.543 1.00 0.22 H new ATOM 0 HD12 ILE A 80 -8.053 4.393 4.725 1.00 0.22 H new ATOM 0 HD13 ILE A 80 -7.125 5.437 5.828 1.00 0.22 H new ATOM 1317 N MET A 81 -4.062 6.082 1.748 1.00 0.21 N ATOM 1318 CA MET A 81 -3.605 7.360 1.236 1.00 0.23 C ATOM 1319 C MET A 81 -4.724 8.380 1.274 1.00 0.20 C ATOM 1320 O MET A 81 -5.855 8.079 0.914 1.00 0.23 O ATOM 1321 CB MET A 81 -3.111 7.200 -0.201 1.00 0.32 C ATOM 1322 CG MET A 81 -2.088 6.093 -0.365 1.00 0.38 C ATOM 1323 SD MET A 81 -1.215 6.163 -1.943 1.00 0.63 S ATOM 1324 CE MET A 81 -2.579 6.019 -3.096 1.00 1.09 C ATOM 0 H MET A 81 -4.672 5.575 1.107 1.00 0.21 H new ATOM 0 HA MET A 81 -2.787 7.710 1.866 1.00 0.23 H new ATOM 0 HB2 MET A 81 -3.963 6.997 -0.850 1.00 0.32 H new ATOM 0 HB3 MET A 81 -2.674 8.141 -0.534 1.00 0.32 H new ATOM 0 HG2 MET A 81 -1.363 6.153 0.447 1.00 0.38 H new ATOM 0 HG3 MET A 81 -2.588 5.128 -0.276 1.00 0.38 H new ATOM 0 HE1 MET A 81 -2.190 5.921 -4.109 1.00 1.09 H new ATOM 0 HE2 MET A 81 -3.173 5.139 -2.849 1.00 1.09 H new ATOM 0 HE3 MET A 81 -3.205 6.909 -3.032 1.00 1.09 H new ATOM 1334 N THR A 82 -4.405 9.576 1.726 1.00 0.20 N ATOM 1335 CA THR A 82 -5.380 10.650 1.792 1.00 0.20 C ATOM 1336 C THR A 82 -4.799 11.886 1.127 1.00 0.19 C ATOM 1337 O THR A 82 -3.608 11.922 0.839 1.00 0.20 O ATOM 1338 CB THR A 82 -5.751 10.975 3.259 1.00 0.29 C ATOM 1339 OG1 THR A 82 -5.046 12.141 3.709 1.00 0.82 O ATOM 1340 CG2 THR A 82 -5.408 9.812 4.176 1.00 0.53 C ATOM 0 H THR A 82 -3.474 9.831 2.055 1.00 0.20 H new ATOM 0 HA THR A 82 -6.286 10.334 1.275 1.00 0.20 H new ATOM 0 HB THR A 82 -6.825 11.157 3.294 1.00 0.29 H new ATOM 0 HG1 THR A 82 -4.131 11.894 3.959 1.00 0.82 H new ATOM 0 HG21 THR A 82 -5.678 10.065 5.201 1.00 0.53 H new ATOM 0 HG22 THR A 82 -5.961 8.926 3.863 1.00 0.53 H new ATOM 0 HG23 THR A 82 -4.338 9.609 4.122 1.00 0.53 H new ATOM 1348 N ALA A 83 -5.618 12.893 0.869 1.00 0.25 N ATOM 1349 CA ALA A 83 -5.087 14.169 0.419 1.00 0.25 C ATOM 1350 C ALA A 83 -4.262 14.758 1.556 1.00 0.28 C ATOM 1351 O ALA A 83 -4.831 15.192 2.545 1.00 0.55 O ATOM 1352 CB ALA A 83 -6.210 15.106 0.001 1.00 0.31 C ATOM 0 H ALA A 83 -6.633 12.855 0.961 1.00 0.25 H new ATOM 0 HA ALA A 83 -4.456 14.029 -0.458 1.00 0.25 H new ATOM 0 HB1 ALA A 83 -5.788 16.054 -0.332 1.00 0.31 H new ATOM 0 HB2 ALA A 83 -6.776 14.655 -0.814 1.00 0.31 H new ATOM 0 HB3 ALA A 83 -6.872 15.281 0.849 1.00 0.31 H new ATOM 1358 N TYR A 84 -2.929 14.749 1.402 1.00 0.45 N ATOM 1359 CA TYR A 84 -1.980 14.894 2.523 1.00 0.45 C ATOM 1360 C TYR A 84 -2.482 15.824 3.638 1.00 0.61 C ATOM 1361 O TYR A 84 -2.462 17.050 3.524 1.00 1.31 O ATOM 1362 CB TYR A 84 -0.590 15.327 2.020 1.00 0.47 C ATOM 1363 CG TYR A 84 -0.470 16.753 1.512 1.00 0.94 C ATOM 1364 CD1 TYR A 84 -1.139 17.184 0.372 1.00 1.82 C ATOM 1365 CD2 TYR A 84 0.344 17.663 2.172 1.00 0.98 C ATOM 1366 CE1 TYR A 84 -1.004 18.481 -0.088 1.00 2.58 C ATOM 1367 CE2 TYR A 84 0.486 18.956 1.717 1.00 1.61 C ATOM 1368 CZ TYR A 84 -0.186 19.362 0.587 1.00 2.42 C ATOM 1369 OH TYR A 84 -0.029 20.652 0.131 1.00 3.19 O ATOM 0 H TYR A 84 -2.475 14.641 0.495 1.00 0.45 H new ATOM 0 HA TYR A 84 -1.896 13.906 2.975 1.00 0.45 H new ATOM 0 HB2 TYR A 84 0.124 15.192 2.832 1.00 0.47 H new ATOM 0 HB3 TYR A 84 -0.291 14.652 1.218 1.00 0.47 H new ATOM 0 HD1 TYR A 84 -1.775 16.494 -0.163 1.00 1.82 H new ATOM 0 HD2 TYR A 84 0.876 17.352 3.059 1.00 0.98 H new ATOM 0 HE1 TYR A 84 -1.536 18.802 -0.971 1.00 2.58 H new ATOM 0 HE2 TYR A 84 1.123 19.649 2.246 1.00 1.61 H new ATOM 0 HH TYR A 84 0.581 21.137 0.725 1.00 3.19 H new ATOM 1379 N GLY A 85 -2.973 15.208 4.707 1.00 0.56 N ATOM 1380 CA GLY A 85 -3.463 15.961 5.847 1.00 0.62 C ATOM 1381 C GLY A 85 -4.948 15.765 6.048 1.00 0.62 C ATOM 1382 O GLY A 85 -5.504 16.150 7.077 1.00 0.75 O ATOM 0 H GLY A 85 -3.041 14.195 4.805 1.00 0.56 H new ATOM 0 HA2 GLY A 85 -2.930 15.650 6.745 1.00 0.62 H new ATOM 0 HA3 GLY A 85 -3.252 17.020 5.702 1.00 0.62 H new ATOM 1386 N GLU A 86 -5.586 15.170 5.052 1.00 0.51 N ATOM 1387 CA GLU A 86 -7.005 14.842 5.118 1.00 0.53 C ATOM 1388 C GLU A 86 -7.277 13.832 6.231 1.00 0.51 C ATOM 1389 O GLU A 86 -7.765 14.198 7.300 1.00 0.59 O ATOM 1390 CB GLU A 86 -7.460 14.279 3.780 1.00 0.51 C ATOM 1391 CG GLU A 86 -8.940 13.978 3.711 1.00 0.59 C ATOM 1392 CD GLU A 86 -9.320 13.455 2.357 1.00 0.62 C ATOM 1393 OE1 GLU A 86 -8.681 12.488 1.890 1.00 1.12 O ATOM 1394 OE2 GLU A 86 -10.280 13.992 1.768 1.00 0.95 O ATOM 0 H GLU A 86 -5.138 14.901 4.176 1.00 0.51 H new ATOM 0 HA GLU A 86 -7.564 15.751 5.339 1.00 0.53 H new ATOM 0 HB2 GLU A 86 -7.207 14.990 2.993 1.00 0.51 H new ATOM 0 HB3 GLU A 86 -6.904 13.365 3.574 1.00 0.51 H new ATOM 0 HG2 GLU A 86 -9.202 13.245 4.474 1.00 0.59 H new ATOM 0 HG3 GLU A 86 -9.509 14.882 3.928 1.00 0.59 H new ATOM 1401 N LEU A 87 -6.943 12.564 5.967 1.00 0.42 N ATOM 1402 CA LEU A 87 -7.099 11.489 6.947 1.00 0.42 C ATOM 1403 C LEU A 87 -8.524 11.440 7.498 1.00 0.49 C ATOM 1404 O LEU A 87 -8.760 11.694 8.679 1.00 0.63 O ATOM 1405 CB LEU A 87 -6.081 11.641 8.089 1.00 0.45 C ATOM 1406 CG LEU A 87 -4.612 11.368 7.720 1.00 0.45 C ATOM 1407 CD1 LEU A 87 -4.023 12.499 6.891 1.00 0.47 C ATOM 1408 CD2 LEU A 87 -3.784 11.149 8.970 1.00 0.52 C ATOM 0 H LEU A 87 -6.559 12.258 5.073 1.00 0.42 H new ATOM 0 HA LEU A 87 -6.907 10.545 6.437 1.00 0.42 H new ATOM 0 HB2 LEU A 87 -6.154 12.655 8.483 1.00 0.45 H new ATOM 0 HB3 LEU A 87 -6.365 10.965 8.895 1.00 0.45 H new ATOM 0 HG LEU A 87 -4.588 10.462 7.114 1.00 0.45 H new ATOM 0 HD11 LEU A 87 -2.985 12.271 6.650 1.00 0.47 H new ATOM 0 HD12 LEU A 87 -4.594 12.610 5.969 1.00 0.47 H new ATOM 0 HD13 LEU A 87 -4.068 13.428 7.459 1.00 0.47 H new ATOM 0 HD21 LEU A 87 -2.748 10.957 8.691 1.00 0.52 H new ATOM 0 HD22 LEU A 87 -3.832 12.038 9.599 1.00 0.52 H new ATOM 0 HD23 LEU A 87 -4.176 10.294 9.521 1.00 0.52 H new ATOM 1420 N ASP A 88 -9.469 11.111 6.630 1.00 0.60 N ATOM 1421 CA ASP A 88 -10.866 11.010 7.020 1.00 0.71 C ATOM 1422 C ASP A 88 -11.238 9.537 7.163 1.00 0.77 C ATOM 1423 O ASP A 88 -11.132 8.782 6.198 1.00 1.71 O ATOM 1424 CB ASP A 88 -11.759 11.688 5.980 1.00 0.91 C ATOM 1425 CG ASP A 88 -13.165 11.939 6.488 1.00 1.10 C ATOM 1426 OD1 ASP A 88 -13.942 10.966 6.604 1.00 1.52 O ATOM 1427 OD2 ASP A 88 -13.503 13.103 6.783 1.00 1.18 O ATOM 0 H ASP A 88 -9.292 10.909 5.646 1.00 0.60 H new ATOM 0 HA ASP A 88 -11.015 11.515 7.974 1.00 0.71 H new ATOM 0 HB2 ASP A 88 -11.310 12.636 5.684 1.00 0.91 H new ATOM 0 HB3 ASP A 88 -11.806 11.065 5.087 1.00 0.91 H new ATOM 1432 N MET A 89 -11.642 9.132 8.374 1.00 0.63 N ATOM 1433 CA MET A 89 -11.895 7.721 8.697 1.00 0.55 C ATOM 1434 C MET A 89 -10.564 6.950 8.699 1.00 0.45 C ATOM 1435 O MET A 89 -10.514 5.716 8.781 1.00 0.47 O ATOM 1436 CB MET A 89 -12.888 7.126 7.700 1.00 0.73 C ATOM 1437 CG MET A 89 -13.473 5.796 8.129 1.00 0.82 C ATOM 1438 SD MET A 89 -14.751 5.966 9.394 1.00 1.55 S ATOM 1439 CE MET A 89 -15.966 6.951 8.521 1.00 2.18 C ATOM 0 H MET A 89 -11.802 9.769 9.154 1.00 0.63 H new ATOM 0 HA MET A 89 -12.337 7.642 9.690 1.00 0.55 H new ATOM 0 HB2 MET A 89 -13.701 7.836 7.546 1.00 0.73 H new ATOM 0 HB3 MET A 89 -12.390 6.999 6.739 1.00 0.73 H new ATOM 0 HG2 MET A 89 -13.895 5.293 7.259 1.00 0.82 H new ATOM 0 HG3 MET A 89 -12.674 5.159 8.510 1.00 0.82 H new ATOM 0 HE1 MET A 89 -16.959 6.738 8.917 1.00 2.18 H new ATOM 0 HE2 MET A 89 -15.741 8.009 8.655 1.00 2.18 H new ATOM 0 HE3 MET A 89 -15.938 6.706 7.459 1.00 2.18 H new ATOM 1449 N ILE A 90 -9.483 7.722 8.650 1.00 0.37 N ATOM 1450 CA ILE A 90 -8.130 7.203 8.597 1.00 0.31 C ATOM 1451 C ILE A 90 -7.763 6.401 9.847 1.00 0.27 C ATOM 1452 O ILE A 90 -7.039 5.412 9.764 1.00 0.27 O ATOM 1453 CB ILE A 90 -7.128 8.375 8.403 1.00 0.31 C ATOM 1454 CG1 ILE A 90 -6.348 8.169 7.121 1.00 0.38 C ATOM 1455 CG2 ILE A 90 -6.179 8.532 9.590 1.00 0.29 C ATOM 1456 CD1 ILE A 90 -5.446 6.959 7.147 1.00 0.42 C ATOM 0 H ILE A 90 -9.528 8.741 8.646 1.00 0.37 H new ATOM 0 HA ILE A 90 -8.074 6.520 7.750 1.00 0.31 H new ATOM 0 HB ILE A 90 -7.704 9.298 8.338 1.00 0.31 H new ATOM 0 HG12 ILE A 90 -7.049 8.071 6.292 1.00 0.38 H new ATOM 0 HG13 ILE A 90 -5.745 9.056 6.926 1.00 0.38 H new ATOM 0 HG21 ILE A 90 -5.499 9.364 9.405 1.00 0.29 H new ATOM 0 HG22 ILE A 90 -6.756 8.729 10.494 1.00 0.29 H new ATOM 0 HG23 ILE A 90 -5.604 7.615 9.719 1.00 0.29 H new ATOM 0 HD11 ILE A 90 -4.920 6.876 6.196 1.00 0.42 H new ATOM 0 HD12 ILE A 90 -4.721 7.063 7.954 1.00 0.42 H new ATOM 0 HD13 ILE A 90 -6.044 6.063 7.310 1.00 0.42 H new ATOM 1468 N GLN A 91 -8.270 6.822 10.994 1.00 0.29 N ATOM 1469 CA GLN A 91 -7.856 6.235 12.264 1.00 0.31 C ATOM 1470 C GLN A 91 -8.351 4.800 12.398 1.00 0.31 C ATOM 1471 O GLN A 91 -7.569 3.892 12.690 1.00 0.32 O ATOM 1472 CB GLN A 91 -8.320 7.097 13.437 1.00 0.39 C ATOM 1473 CG GLN A 91 -7.619 8.447 13.487 1.00 0.45 C ATOM 1474 CD GLN A 91 -8.000 9.269 14.704 1.00 1.35 C ATOM 1475 OE1 GLN A 91 -8.960 10.036 14.675 1.00 2.14 O ATOM 1476 NE2 GLN A 91 -7.241 9.124 15.779 1.00 2.10 N ATOM 0 H GLN A 91 -8.965 7.564 11.075 1.00 0.29 H new ATOM 0 HA GLN A 91 -6.767 6.205 12.282 1.00 0.31 H new ATOM 0 HB2 GLN A 91 -9.396 7.254 13.364 1.00 0.39 H new ATOM 0 HB3 GLN A 91 -8.138 6.563 14.370 1.00 0.39 H new ATOM 0 HG2 GLN A 91 -6.540 8.290 13.485 1.00 0.45 H new ATOM 0 HG3 GLN A 91 -7.861 9.009 12.585 1.00 0.45 H new ATOM 0 HE21 GLN A 91 -6.453 8.477 15.763 1.00 2.10 H new ATOM 0 HE22 GLN A 91 -7.445 9.659 16.623 1.00 2.10 H new ATOM 1485 N GLU A 92 -9.636 4.590 12.168 1.00 0.38 N ATOM 1486 CA GLU A 92 -10.182 3.242 12.127 1.00 0.42 C ATOM 1487 C GLU A 92 -9.489 2.431 11.048 1.00 0.34 C ATOM 1488 O GLU A 92 -9.095 1.299 11.281 1.00 0.33 O ATOM 1489 CB GLU A 92 -11.695 3.236 11.890 1.00 0.55 C ATOM 1490 CG GLU A 92 -12.238 4.427 11.113 1.00 0.64 C ATOM 1491 CD GLU A 92 -12.398 5.674 11.962 1.00 1.21 C ATOM 1492 OE1 GLU A 92 -13.448 5.825 12.619 1.00 1.73 O ATOM 1493 OE2 GLU A 92 -11.472 6.509 11.983 1.00 1.52 O ATOM 0 H GLU A 92 -10.319 5.331 12.007 1.00 0.38 H new ATOM 0 HA GLU A 92 -10.000 2.790 13.102 1.00 0.42 H new ATOM 0 HB2 GLU A 92 -11.958 2.324 11.355 1.00 0.55 H new ATOM 0 HB3 GLU A 92 -12.197 3.195 12.857 1.00 0.55 H new ATOM 0 HG2 GLU A 92 -11.568 4.645 10.281 1.00 0.64 H new ATOM 0 HG3 GLU A 92 -13.204 4.162 10.683 1.00 0.64 H new ATOM 1500 N SER A 93 -9.316 3.025 9.878 1.00 0.32 N ATOM 1501 CA SER A 93 -8.657 2.339 8.778 1.00 0.27 C ATOM 1502 C SER A 93 -7.231 1.897 9.141 1.00 0.21 C ATOM 1503 O SER A 93 -6.826 0.787 8.804 1.00 0.22 O ATOM 1504 CB SER A 93 -8.638 3.220 7.537 1.00 0.33 C ATOM 1505 OG SER A 93 -8.108 2.524 6.420 1.00 0.98 O ATOM 0 H SER A 93 -9.621 3.975 9.666 1.00 0.32 H new ATOM 0 HA SER A 93 -9.233 1.438 8.569 1.00 0.27 H new ATOM 0 HB2 SER A 93 -9.650 3.557 7.312 1.00 0.33 H new ATOM 0 HB3 SER A 93 -8.041 4.111 7.730 1.00 0.33 H new ATOM 0 HG SER A 93 -8.782 2.484 5.710 1.00 0.98 H new ATOM 1511 N LYS A 94 -6.472 2.752 9.833 1.00 0.21 N ATOM 1512 CA LYS A 94 -5.079 2.434 10.155 1.00 0.21 C ATOM 1513 C LYS A 94 -4.979 1.379 11.253 1.00 0.25 C ATOM 1514 O LYS A 94 -4.035 0.596 11.270 1.00 0.31 O ATOM 1515 CB LYS A 94 -4.281 3.686 10.544 1.00 0.23 C ATOM 1516 CG LYS A 94 -4.718 4.313 11.854 1.00 0.30 C ATOM 1517 CD LYS A 94 -3.912 5.558 12.187 1.00 0.43 C ATOM 1518 CE LYS A 94 -2.443 5.242 12.423 1.00 0.65 C ATOM 1519 NZ LYS A 94 -2.240 4.328 13.579 1.00 1.25 N ATOM 0 H LYS A 94 -6.793 3.657 10.177 1.00 0.21 H new ATOM 0 HA LYS A 94 -4.638 2.022 9.247 1.00 0.21 H new ATOM 0 HB2 LYS A 94 -3.225 3.425 10.612 1.00 0.23 H new ATOM 0 HB3 LYS A 94 -4.375 4.426 9.749 1.00 0.23 H new ATOM 0 HG2 LYS A 94 -5.776 4.570 11.798 1.00 0.30 H new ATOM 0 HG3 LYS A 94 -4.610 3.585 12.658 1.00 0.30 H new ATOM 0 HD2 LYS A 94 -4.002 6.276 11.372 1.00 0.43 H new ATOM 0 HD3 LYS A 94 -4.328 6.032 13.076 1.00 0.43 H new ATOM 0 HE2 LYS A 94 -2.023 4.788 11.526 1.00 0.65 H new ATOM 0 HE3 LYS A 94 -1.898 6.170 12.596 1.00 0.65 H new ATOM 0 HZ1 LYS A 94 -1.231 4.302 13.828 1.00 1.25 H new ATOM 0 HZ2 LYS A 94 -2.789 4.671 14.393 1.00 1.25 H new ATOM 0 HZ3 LYS A 94 -2.558 3.371 13.325 1.00 1.25 H new ATOM 1533 N GLU A 95 -5.933 1.349 12.177 1.00 0.30 N ATOM 1534 CA GLU A 95 -5.933 0.302 13.193 1.00 0.44 C ATOM 1535 C GLU A 95 -6.563 -0.972 12.638 1.00 0.51 C ATOM 1536 O GLU A 95 -6.384 -2.065 13.182 1.00 0.66 O ATOM 1537 CB GLU A 95 -6.652 0.751 14.471 1.00 0.49 C ATOM 1538 CG GLU A 95 -8.084 1.210 14.262 1.00 0.44 C ATOM 1539 CD GLU A 95 -8.766 1.566 15.564 1.00 0.59 C ATOM 1540 OE1 GLU A 95 -8.128 2.210 16.423 1.00 0.85 O ATOM 1541 OE2 GLU A 95 -9.946 1.201 15.742 1.00 0.67 O ATOM 0 H GLU A 95 -6.699 2.019 12.245 1.00 0.30 H new ATOM 0 HA GLU A 95 -4.896 0.096 13.460 1.00 0.44 H new ATOM 0 HB2 GLU A 95 -6.649 -0.074 15.183 1.00 0.49 H new ATOM 0 HB3 GLU A 95 -6.086 1.565 14.924 1.00 0.49 H new ATOM 0 HG2 GLU A 95 -8.093 2.076 13.600 1.00 0.44 H new ATOM 0 HG3 GLU A 95 -8.647 0.422 13.763 1.00 0.44 H new ATOM 1548 N LEU A 96 -7.273 -0.828 11.531 1.00 0.51 N ATOM 1549 CA LEU A 96 -7.956 -1.942 10.901 1.00 0.64 C ATOM 1550 C LEU A 96 -7.044 -2.683 9.933 1.00 0.93 C ATOM 1551 O LEU A 96 -7.283 -2.706 8.727 1.00 1.73 O ATOM 1552 CB LEU A 96 -9.211 -1.451 10.181 1.00 0.53 C ATOM 1553 CG LEU A 96 -10.540 -1.755 10.888 1.00 0.41 C ATOM 1554 CD1 LEU A 96 -10.412 -1.552 12.391 1.00 0.40 C ATOM 1555 CD2 LEU A 96 -11.650 -0.865 10.342 1.00 0.40 C ATOM 0 H LEU A 96 -7.391 0.062 11.047 1.00 0.51 H new ATOM 0 HA LEU A 96 -8.245 -2.643 11.684 1.00 0.64 H new ATOM 0 HB2 LEU A 96 -9.131 -0.373 10.043 1.00 0.53 H new ATOM 0 HB3 LEU A 96 -9.237 -1.898 9.187 1.00 0.53 H new ATOM 0 HG LEU A 96 -10.792 -2.798 10.696 1.00 0.41 H new ATOM 0 HD11 LEU A 96 -11.366 -1.773 12.871 1.00 0.40 H new ATOM 0 HD12 LEU A 96 -9.645 -2.219 12.784 1.00 0.40 H new ATOM 0 HD13 LEU A 96 -10.134 -0.518 12.596 1.00 0.40 H new ATOM 0 HD21 LEU A 96 -12.585 -1.094 10.854 1.00 0.40 H new ATOM 0 HD22 LEU A 96 -11.392 0.181 10.507 1.00 0.40 H new ATOM 0 HD23 LEU A 96 -11.768 -1.045 9.273 1.00 0.40 H new ATOM 1567 N GLY A 97 -5.986 -3.276 10.470 1.00 0.54 N ATOM 1568 CA GLY A 97 -5.129 -4.130 9.673 1.00 0.69 C ATOM 1569 C GLY A 97 -4.152 -3.376 8.813 1.00 0.61 C ATOM 1570 O GLY A 97 -3.406 -3.961 8.024 1.00 0.88 O ATOM 0 H GLY A 97 -5.706 -3.180 11.446 1.00 0.54 H new ATOM 0 HA2 GLY A 97 -4.577 -4.796 10.336 1.00 0.69 H new ATOM 0 HA3 GLY A 97 -5.750 -4.759 9.035 1.00 0.69 H new ATOM 1574 N ALA A 98 -4.161 -2.085 8.957 1.00 0.32 N ATOM 1575 CA ALA A 98 -3.264 -1.240 8.207 1.00 0.27 C ATOM 1576 C ALA A 98 -1.978 -0.978 8.978 1.00 0.19 C ATOM 1577 O ALA A 98 -1.989 -0.819 10.196 1.00 0.22 O ATOM 1578 CB ALA A 98 -3.957 0.059 7.860 1.00 0.26 C ATOM 0 H ALA A 98 -4.783 -1.585 9.592 1.00 0.32 H new ATOM 0 HA ALA A 98 -2.992 -1.755 7.285 1.00 0.27 H new ATOM 0 HB1 ALA A 98 -3.276 0.695 7.294 1.00 0.26 H new ATOM 0 HB2 ALA A 98 -4.842 -0.150 7.260 1.00 0.26 H new ATOM 0 HB3 ALA A 98 -4.252 0.570 8.776 1.00 0.26 H new ATOM 1584 N LEU A 99 -0.866 -0.980 8.262 1.00 0.18 N ATOM 1585 CA LEU A 99 0.399 -0.532 8.817 1.00 0.23 C ATOM 1586 C LEU A 99 0.316 0.945 9.154 1.00 0.26 C ATOM 1587 O LEU A 99 0.672 1.360 10.256 1.00 0.39 O ATOM 1588 CB LEU A 99 1.554 -0.750 7.832 1.00 0.51 C ATOM 1589 CG LEU A 99 1.938 -2.188 7.558 1.00 0.60 C ATOM 1590 CD1 LEU A 99 3.121 -2.218 6.602 1.00 1.27 C ATOM 1591 CD2 LEU A 99 2.279 -2.897 8.855 1.00 1.26 C ATOM 0 H LEU A 99 -0.814 -1.288 7.291 1.00 0.18 H new ATOM 0 HA LEU A 99 0.592 -1.118 9.716 1.00 0.23 H new ATOM 0 HB2 LEU A 99 1.289 -0.280 6.885 1.00 0.51 H new ATOM 0 HB3 LEU A 99 2.432 -0.228 8.213 1.00 0.51 H new ATOM 0 HG LEU A 99 1.097 -2.708 7.100 1.00 0.60 H new ATOM 0 HD11 LEU A 99 3.401 -3.252 6.402 1.00 1.27 H new ATOM 0 HD12 LEU A 99 2.846 -1.729 5.667 1.00 1.27 H new ATOM 0 HD13 LEU A 99 3.965 -1.694 7.051 1.00 1.27 H new ATOM 0 HD21 LEU A 99 2.553 -3.930 8.643 1.00 1.26 H new ATOM 0 HD22 LEU A 99 3.115 -2.391 9.337 1.00 1.26 H new ATOM 0 HD23 LEU A 99 1.414 -2.880 9.518 1.00 1.26 H new ATOM 1603 N THR A 100 -0.173 1.739 8.207 1.00 0.23 N ATOM 1604 CA THR A 100 -0.199 3.183 8.391 1.00 0.28 C ATOM 1605 C THR A 100 -0.891 3.878 7.215 1.00 0.24 C ATOM 1606 O THR A 100 -1.660 3.262 6.478 1.00 0.25 O ATOM 1607 CB THR A 100 1.241 3.738 8.572 1.00 0.36 C ATOM 1608 OG1 THR A 100 1.206 5.125 8.945 1.00 0.42 O ATOM 1609 CG2 THR A 100 2.059 3.567 7.298 1.00 0.34 C ATOM 0 H THR A 100 -0.551 1.412 7.318 1.00 0.23 H new ATOM 0 HA THR A 100 -0.771 3.393 9.295 1.00 0.28 H new ATOM 0 HB THR A 100 1.717 3.167 9.369 1.00 0.36 H new ATOM 0 HG1 THR A 100 2.121 5.457 9.056 1.00 0.42 H new ATOM 0 HG21 THR A 100 3.062 3.964 7.454 1.00 0.34 H new ATOM 0 HG22 THR A 100 2.123 2.508 7.046 1.00 0.34 H new ATOM 0 HG23 THR A 100 1.578 4.106 6.482 1.00 0.34 H new ATOM 1617 N HIS A 101 -0.620 5.162 7.063 1.00 0.29 N ATOM 1618 CA HIS A 101 -1.233 5.970 6.029 1.00 0.28 C ATOM 1619 C HIS A 101 -0.171 6.614 5.143 1.00 0.27 C ATOM 1620 O HIS A 101 0.989 6.733 5.528 1.00 0.35 O ATOM 1621 CB HIS A 101 -2.114 7.067 6.653 1.00 0.32 C ATOM 1622 CG HIS A 101 -1.352 8.200 7.295 1.00 0.42 C ATOM 1623 ND1 HIS A 101 -1.119 8.289 8.651 1.00 1.12 N ATOM 1624 CD2 HIS A 101 -0.777 9.301 6.749 1.00 1.14 C ATOM 1625 CE1 HIS A 101 -0.432 9.388 8.907 1.00 0.93 C ATOM 1626 NE2 HIS A 101 -0.213 10.018 7.770 1.00 0.92 N ATOM 0 H HIS A 101 0.034 5.673 7.656 1.00 0.29 H new ATOM 0 HA HIS A 101 -1.854 5.315 5.418 1.00 0.28 H new ATOM 0 HB2 HIS A 101 -2.763 7.477 5.879 1.00 0.32 H new ATOM 0 HB3 HIS A 101 -2.761 6.611 7.403 1.00 0.32 H new ATOM 0 HD2 HIS A 101 -0.766 9.564 5.701 1.00 1.14 H new ATOM 0 HE1 HIS A 101 -0.105 9.715 9.883 1.00 0.93 H new ATOM 0 HE2 HIS A 101 0.294 10.897 7.667 1.00 0.92 H new ATOM 1635 N PHE A 102 -0.593 7.038 3.968 1.00 0.25 N ATOM 1636 CA PHE A 102 0.222 7.860 3.098 1.00 0.24 C ATOM 1637 C PHE A 102 -0.673 8.932 2.499 1.00 0.20 C ATOM 1638 O PHE A 102 -1.783 9.161 2.987 1.00 0.21 O ATOM 1639 CB PHE A 102 0.887 7.025 2.000 1.00 0.30 C ATOM 1640 CG PHE A 102 2.319 7.405 1.764 1.00 0.54 C ATOM 1641 CD1 PHE A 102 3.321 6.903 2.571 1.00 0.85 C ATOM 1642 CD2 PHE A 102 2.659 8.260 0.730 1.00 0.99 C ATOM 1643 CE1 PHE A 102 4.642 7.245 2.354 1.00 1.13 C ATOM 1644 CE2 PHE A 102 3.978 8.606 0.506 1.00 1.33 C ATOM 1645 CZ PHE A 102 4.969 8.118 1.336 1.00 1.29 C ATOM 0 H PHE A 102 -1.515 6.821 3.589 1.00 0.25 H new ATOM 0 HA PHE A 102 1.028 8.318 3.671 1.00 0.24 H new ATOM 0 HB2 PHE A 102 0.836 5.971 2.271 1.00 0.30 H new ATOM 0 HB3 PHE A 102 0.327 7.143 1.072 1.00 0.30 H new ATOM 0 HD1 PHE A 102 3.069 6.235 3.381 1.00 0.85 H new ATOM 0 HD2 PHE A 102 1.886 8.661 0.092 1.00 0.99 H new ATOM 0 HE1 PHE A 102 5.418 6.830 2.980 1.00 1.13 H new ATOM 0 HE2 PHE A 102 4.234 9.257 -0.317 1.00 1.33 H new ATOM 0 HZ PHE A 102 5.996 8.419 1.189 1.00 1.29 H new ATOM 1655 N ALA A 103 -0.215 9.584 1.456 1.00 0.22 N ATOM 1656 CA ALA A 103 -1.004 10.614 0.822 1.00 0.23 C ATOM 1657 C ALA A 103 -1.188 10.294 -0.648 1.00 0.31 C ATOM 1658 O ALA A 103 -0.322 9.682 -1.256 1.00 0.47 O ATOM 1659 CB ALA A 103 -0.350 11.976 0.998 1.00 0.34 C ATOM 0 H ALA A 103 0.697 9.420 1.030 1.00 0.22 H new ATOM 0 HA ALA A 103 -1.984 10.647 1.298 1.00 0.23 H new ATOM 0 HB1 ALA A 103 -0.960 12.738 0.513 1.00 0.34 H new ATOM 0 HB2 ALA A 103 -0.263 12.203 2.060 1.00 0.34 H new ATOM 0 HB3 ALA A 103 0.642 11.964 0.547 1.00 0.34 H new ATOM 1665 N LYS A 104 -2.329 10.678 -1.197 1.00 0.26 N ATOM 1666 CA LYS A 104 -2.566 10.553 -2.629 1.00 0.33 C ATOM 1667 C LYS A 104 -1.563 11.423 -3.402 1.00 0.40 C ATOM 1668 O LYS A 104 -1.072 11.016 -4.449 1.00 0.51 O ATOM 1669 CB LYS A 104 -4.003 10.950 -2.970 1.00 0.32 C ATOM 1670 CG LYS A 104 -4.631 10.088 -4.040 1.00 0.53 C ATOM 1671 CD LYS A 104 -4.162 10.477 -5.425 1.00 0.93 C ATOM 1672 CE LYS A 104 -4.165 9.279 -6.344 1.00 1.15 C ATOM 1673 NZ LYS A 104 -5.502 8.628 -6.435 1.00 2.18 N ATOM 0 H LYS A 104 -3.107 11.079 -0.674 1.00 0.26 H new ATOM 0 HA LYS A 104 -2.424 9.513 -2.922 1.00 0.33 H new ATOM 0 HB2 LYS A 104 -4.611 10.894 -2.067 1.00 0.32 H new ATOM 0 HB3 LYS A 104 -4.016 11.989 -3.299 1.00 0.32 H new ATOM 0 HG2 LYS A 104 -4.386 9.042 -3.854 1.00 0.53 H new ATOM 0 HG3 LYS A 104 -5.716 10.175 -3.986 1.00 0.53 H new ATOM 0 HD2 LYS A 104 -4.811 11.254 -5.830 1.00 0.93 H new ATOM 0 HD3 LYS A 104 -3.158 10.897 -5.370 1.00 0.93 H new ATOM 0 HE2 LYS A 104 -3.848 9.589 -7.340 1.00 1.15 H new ATOM 0 HE3 LYS A 104 -3.435 8.552 -5.989 1.00 1.15 H new ATOM 0 HZ1 LYS A 104 -5.509 7.960 -7.232 1.00 2.18 H new ATOM 0 HZ2 LYS A 104 -5.699 8.116 -5.552 1.00 2.18 H new ATOM 0 HZ3 LYS A 104 -6.232 9.354 -6.585 1.00 2.18 H new ATOM 1687 N PRO A 105 -1.298 12.662 -2.925 1.00 0.39 N ATOM 1688 CA PRO A 105 -0.138 13.440 -3.368 1.00 0.50 C ATOM 1689 C PRO A 105 1.154 12.608 -3.378 1.00 0.66 C ATOM 1690 O PRO A 105 1.788 12.449 -4.424 1.00 1.25 O ATOM 1691 CB PRO A 105 -0.048 14.546 -2.311 1.00 0.51 C ATOM 1692 CG PRO A 105 -1.450 14.746 -1.837 1.00 0.60 C ATOM 1693 CD PRO A 105 -2.156 13.433 -2.002 1.00 0.35 C ATOM 0 HA PRO A 105 -0.250 13.803 -4.390 1.00 0.50 H new ATOM 0 HB2 PRO A 105 0.608 14.255 -1.491 1.00 0.51 H new ATOM 0 HB3 PRO A 105 0.360 15.464 -2.735 1.00 0.51 H new ATOM 0 HG2 PRO A 105 -1.464 15.064 -0.794 1.00 0.60 H new ATOM 0 HG3 PRO A 105 -1.946 15.526 -2.415 1.00 0.60 H new ATOM 0 HD2 PRO A 105 -2.270 12.921 -1.046 1.00 0.35 H new ATOM 0 HD3 PRO A 105 -3.157 13.570 -2.412 1.00 0.35 H new ATOM 1701 N PHE A 106 1.511 12.086 -2.193 1.00 0.50 N ATOM 1702 CA PHE A 106 2.707 11.248 -1.959 1.00 0.65 C ATOM 1703 C PHE A 106 3.973 11.726 -2.684 1.00 0.35 C ATOM 1704 O PHE A 106 4.088 12.874 -3.114 1.00 0.68 O ATOM 1705 CB PHE A 106 2.442 9.756 -2.287 1.00 1.19 C ATOM 1706 CG PHE A 106 2.094 9.419 -3.722 1.00 2.49 C ATOM 1707 CD1 PHE A 106 2.979 9.671 -4.762 1.00 3.00 C ATOM 1708 CD2 PHE A 106 0.885 8.818 -4.020 1.00 3.26 C ATOM 1709 CE1 PHE A 106 2.658 9.340 -6.064 1.00 4.24 C ATOM 1710 CE2 PHE A 106 0.558 8.487 -5.321 1.00 4.50 C ATOM 1711 CZ PHE A 106 1.446 8.747 -6.344 1.00 4.99 C ATOM 0 H PHE A 106 0.963 12.237 -1.346 1.00 0.50 H new ATOM 0 HA PHE A 106 2.903 11.355 -0.892 1.00 0.65 H new ATOM 0 HB2 PHE A 106 3.329 9.186 -2.011 1.00 1.19 H new ATOM 0 HB3 PHE A 106 1.628 9.409 -1.650 1.00 1.19 H new ATOM 0 HD1 PHE A 106 3.932 10.132 -4.550 1.00 3.00 H new ATOM 0 HD2 PHE A 106 0.186 8.604 -3.225 1.00 3.26 H new ATOM 0 HE1 PHE A 106 3.356 9.546 -6.862 1.00 4.24 H new ATOM 0 HE2 PHE A 106 -0.394 8.024 -5.537 1.00 4.50 H new ATOM 0 HZ PHE A 106 1.192 8.487 -7.361 1.00 4.99 H new ATOM 1721 N ASP A 107 4.954 10.834 -2.713 1.00 0.40 N ATOM 1722 CA ASP A 107 6.129 10.964 -3.556 1.00 0.37 C ATOM 1723 C ASP A 107 6.387 9.612 -4.175 1.00 0.47 C ATOM 1724 O ASP A 107 6.057 8.602 -3.570 1.00 0.66 O ATOM 1725 CB ASP A 107 7.363 11.354 -2.757 1.00 0.45 C ATOM 1726 CG ASP A 107 8.495 11.813 -3.646 1.00 1.16 C ATOM 1727 OD1 ASP A 107 8.404 12.922 -4.208 1.00 1.63 O ATOM 1728 OD2 ASP A 107 9.474 11.055 -3.805 1.00 1.67 O ATOM 0 H ASP A 107 4.953 9.989 -2.142 1.00 0.40 H new ATOM 0 HA ASP A 107 5.945 11.741 -4.298 1.00 0.37 H new ATOM 0 HB2 ASP A 107 7.105 12.150 -2.059 1.00 0.45 H new ATOM 0 HB3 ASP A 107 7.693 10.503 -2.162 1.00 0.45 H new ATOM 1733 N ILE A 108 6.969 9.573 -5.350 1.00 0.48 N ATOM 1734 CA ILE A 108 7.271 8.302 -5.978 1.00 0.58 C ATOM 1735 C ILE A 108 8.422 7.614 -5.254 1.00 0.50 C ATOM 1736 O ILE A 108 8.263 6.520 -4.701 1.00 0.44 O ATOM 1737 CB ILE A 108 7.616 8.477 -7.468 1.00 0.75 C ATOM 1738 CG1 ILE A 108 6.405 9.028 -8.221 1.00 0.70 C ATOM 1739 CG2 ILE A 108 8.067 7.158 -8.068 1.00 1.04 C ATOM 1740 CD1 ILE A 108 5.254 8.048 -8.330 1.00 1.13 C ATOM 0 H ILE A 108 7.242 10.395 -5.888 1.00 0.48 H new ATOM 0 HA ILE A 108 6.379 7.679 -5.909 1.00 0.58 H new ATOM 0 HB ILE A 108 8.437 9.188 -7.559 1.00 0.75 H new ATOM 0 HG12 ILE A 108 6.056 9.930 -7.718 1.00 0.70 H new ATOM 0 HG13 ILE A 108 6.715 9.322 -9.224 1.00 0.70 H new ATOM 0 HG21 ILE A 108 8.307 7.301 -9.122 1.00 1.04 H new ATOM 0 HG22 ILE A 108 8.951 6.801 -7.540 1.00 1.04 H new ATOM 0 HG23 ILE A 108 7.267 6.423 -7.974 1.00 1.04 H new ATOM 0 HD11 ILE A 108 4.433 8.511 -8.877 1.00 1.13 H new ATOM 0 HD12 ILE A 108 5.585 7.155 -8.860 1.00 1.13 H new ATOM 0 HD13 ILE A 108 4.915 7.772 -7.331 1.00 1.13 H new ATOM 1752 N ASP A 109 9.565 8.279 -5.230 1.00 0.49 N ATOM 1753 CA ASP A 109 10.741 7.768 -4.541 1.00 0.42 C ATOM 1754 C ASP A 109 10.412 7.542 -3.076 1.00 0.34 C ATOM 1755 O ASP A 109 10.830 6.554 -2.489 1.00 0.30 O ATOM 1756 CB ASP A 109 11.892 8.771 -4.671 1.00 0.46 C ATOM 1757 CG ASP A 109 13.227 8.245 -4.168 1.00 0.98 C ATOM 1758 OD1 ASP A 109 13.340 7.898 -2.977 1.00 0.89 O ATOM 1759 OD2 ASP A 109 14.182 8.191 -4.973 1.00 1.88 O ATOM 0 H ASP A 109 9.705 9.182 -5.684 1.00 0.49 H new ATOM 0 HA ASP A 109 11.043 6.822 -4.990 1.00 0.42 H new ATOM 0 HB2 ASP A 109 11.996 9.056 -5.718 1.00 0.46 H new ATOM 0 HB3 ASP A 109 11.637 9.675 -4.118 1.00 0.46 H new ATOM 1764 N GLU A 110 9.609 8.432 -2.503 1.00 0.35 N ATOM 1765 CA GLU A 110 9.299 8.347 -1.085 1.00 0.35 C ATOM 1766 C GLU A 110 8.232 7.282 -0.822 1.00 0.33 C ATOM 1767 O GLU A 110 8.072 6.816 0.306 1.00 0.34 O ATOM 1768 CB GLU A 110 8.865 9.719 -0.558 1.00 0.49 C ATOM 1769 CG GLU A 110 8.613 9.760 0.938 1.00 0.62 C ATOM 1770 CD GLU A 110 8.352 11.162 1.442 1.00 1.15 C ATOM 1771 OE1 GLU A 110 9.231 12.032 1.280 1.00 1.71 O ATOM 1772 OE2 GLU A 110 7.275 11.399 2.024 1.00 1.68 O ATOM 0 H GLU A 110 9.167 9.210 -2.993 1.00 0.35 H new ATOM 0 HA GLU A 110 10.198 8.045 -0.547 1.00 0.35 H new ATOM 0 HB2 GLU A 110 9.634 10.451 -0.806 1.00 0.49 H new ATOM 0 HB3 GLU A 110 7.956 10.024 -1.077 1.00 0.49 H new ATOM 0 HG2 GLU A 110 7.759 9.126 1.177 1.00 0.62 H new ATOM 0 HG3 GLU A 110 9.475 9.344 1.460 1.00 0.62 H new ATOM 1779 N ILE A 111 7.529 6.866 -1.869 1.00 0.34 N ATOM 1780 CA ILE A 111 6.502 5.846 -1.721 1.00 0.33 C ATOM 1781 C ILE A 111 7.161 4.462 -1.726 1.00 0.28 C ATOM 1782 O ILE A 111 6.867 3.623 -0.870 1.00 0.27 O ATOM 1783 CB ILE A 111 5.405 5.982 -2.817 1.00 0.36 C ATOM 1784 CG1 ILE A 111 4.012 5.796 -2.221 1.00 0.61 C ATOM 1785 CG2 ILE A 111 5.609 5.028 -3.987 1.00 0.69 C ATOM 1786 CD1 ILE A 111 3.780 4.453 -1.566 1.00 1.06 C ATOM 0 H ILE A 111 7.650 7.216 -2.819 1.00 0.34 H new ATOM 0 HA ILE A 111 5.993 5.981 -0.766 1.00 0.33 H new ATOM 0 HB ILE A 111 5.494 6.994 -3.212 1.00 0.36 H new ATOM 0 HG12 ILE A 111 3.840 6.580 -1.483 1.00 0.61 H new ATOM 0 HG13 ILE A 111 3.273 5.933 -3.010 1.00 0.61 H new ATOM 0 HG21 ILE A 111 4.812 5.172 -4.717 1.00 0.69 H new ATOM 0 HG22 ILE A 111 6.572 5.229 -4.457 1.00 0.69 H new ATOM 0 HG23 ILE A 111 5.589 4.000 -3.626 1.00 0.69 H new ATOM 0 HD11 ILE A 111 2.765 4.411 -1.171 1.00 1.06 H new ATOM 0 HD12 ILE A 111 3.916 3.661 -2.302 1.00 1.06 H new ATOM 0 HD13 ILE A 111 4.492 4.318 -0.752 1.00 1.06 H new ATOM 1798 N ARG A 112 8.097 4.251 -2.659 1.00 0.27 N ATOM 1799 CA ARG A 112 8.861 3.008 -2.695 1.00 0.24 C ATOM 1800 C ARG A 112 9.759 2.931 -1.468 1.00 0.22 C ATOM 1801 O ARG A 112 9.922 1.875 -0.867 1.00 0.22 O ATOM 1802 CB ARG A 112 9.705 2.887 -3.979 1.00 0.23 C ATOM 1803 CG ARG A 112 10.626 4.074 -4.226 1.00 0.23 C ATOM 1804 CD ARG A 112 11.531 3.869 -5.435 1.00 0.23 C ATOM 1805 NE ARG A 112 12.466 4.985 -5.611 1.00 0.79 N ATOM 1806 CZ ARG A 112 13.704 4.865 -6.115 1.00 0.82 C ATOM 1807 NH1 ARG A 112 14.165 3.693 -6.523 1.00 1.16 N ATOM 1808 NH2 ARG A 112 14.499 5.922 -6.193 1.00 1.39 N ATOM 0 H ARG A 112 8.339 4.920 -3.390 1.00 0.27 H new ATOM 0 HA ARG A 112 8.155 2.177 -2.692 1.00 0.24 H new ATOM 0 HB2 ARG A 112 10.306 1.979 -3.923 1.00 0.23 H new ATOM 0 HB3 ARG A 112 9.036 2.775 -4.832 1.00 0.23 H new ATOM 0 HG2 ARG A 112 10.025 4.971 -4.374 1.00 0.23 H new ATOM 0 HG3 ARG A 112 11.240 4.244 -3.341 1.00 0.23 H new ATOM 0 HD2 ARG A 112 12.091 2.941 -5.317 1.00 0.23 H new ATOM 0 HD3 ARG A 112 10.921 3.761 -6.332 1.00 0.23 H new ATOM 0 HE ARG A 112 12.154 5.915 -5.332 1.00 0.79 H new ATOM 0 HH11 ARG A 112 13.577 2.862 -6.457 1.00 1.16 H new ATOM 0 HH12 ARG A 112 15.109 3.621 -6.903 1.00 1.16 H new ATOM 0 HH21 ARG A 112 14.171 6.832 -5.869 1.00 1.39 H new ATOM 0 HH22 ARG A 112 15.439 5.826 -6.577 1.00 1.39 H new ATOM 1822 N ASP A 113 10.311 4.080 -1.088 1.00 0.23 N ATOM 1823 CA ASP A 113 11.222 4.171 0.045 1.00 0.24 C ATOM 1824 C ASP A 113 10.507 3.841 1.353 1.00 0.25 C ATOM 1825 O ASP A 113 10.990 3.041 2.168 1.00 0.26 O ATOM 1826 CB ASP A 113 11.814 5.577 0.112 1.00 0.28 C ATOM 1827 CG ASP A 113 12.989 5.669 1.053 1.00 0.39 C ATOM 1828 OD1 ASP A 113 14.071 5.148 0.726 1.00 0.58 O ATOM 1829 OD2 ASP A 113 12.828 6.256 2.141 1.00 0.43 O ATOM 0 H ASP A 113 10.139 4.970 -1.556 1.00 0.23 H new ATOM 0 HA ASP A 113 12.022 3.444 -0.094 1.00 0.24 H new ATOM 0 HB2 ASP A 113 12.128 5.883 -0.886 1.00 0.28 H new ATOM 0 HB3 ASP A 113 11.042 6.277 0.432 1.00 0.28 H new ATOM 1834 N ALA A 114 9.345 4.443 1.549 1.00 0.26 N ATOM 1835 CA ALA A 114 8.571 4.207 2.755 1.00 0.28 C ATOM 1836 C ALA A 114 8.167 2.746 2.866 1.00 0.28 C ATOM 1837 O ALA A 114 8.453 2.099 3.871 1.00 0.32 O ATOM 1838 CB ALA A 114 7.346 5.106 2.797 1.00 0.35 C ATOM 0 H ALA A 114 8.919 5.096 0.891 1.00 0.26 H new ATOM 0 HA ALA A 114 9.202 4.450 3.610 1.00 0.28 H new ATOM 0 HB1 ALA A 114 6.782 4.911 3.709 1.00 0.35 H new ATOM 0 HB2 ALA A 114 7.660 6.150 2.781 1.00 0.35 H new ATOM 0 HB3 ALA A 114 6.716 4.903 1.931 1.00 0.35 H new ATOM 1844 N VAL A 115 7.534 2.208 1.828 1.00 0.27 N ATOM 1845 CA VAL A 115 7.044 0.840 1.902 1.00 0.29 C ATOM 1846 C VAL A 115 8.188 -0.170 1.874 1.00 0.30 C ATOM 1847 O VAL A 115 7.997 -1.310 2.274 1.00 0.35 O ATOM 1848 CB VAL A 115 6.029 0.494 0.796 1.00 0.34 C ATOM 1849 CG1 VAL A 115 4.900 1.508 0.786 1.00 0.37 C ATOM 1850 CG2 VAL A 115 6.703 0.402 -0.564 1.00 0.33 C ATOM 0 H VAL A 115 7.352 2.687 0.946 1.00 0.27 H new ATOM 0 HA VAL A 115 6.525 0.775 2.858 1.00 0.29 H new ATOM 0 HB VAL A 115 5.607 -0.487 1.012 1.00 0.34 H new ATOM 0 HG11 VAL A 115 4.189 1.253 0.000 1.00 0.37 H new ATOM 0 HG12 VAL A 115 4.393 1.498 1.751 1.00 0.37 H new ATOM 0 HG13 VAL A 115 5.306 2.502 0.600 1.00 0.37 H new ATOM 0 HG21 VAL A 115 5.960 0.156 -1.323 1.00 0.33 H new ATOM 0 HG22 VAL A 115 7.166 1.359 -0.806 1.00 0.33 H new ATOM 0 HG23 VAL A 115 7.467 -0.375 -0.540 1.00 0.33 H new ATOM 1860 N LYS A 116 9.374 0.238 1.415 1.00 0.29 N ATOM 1861 CA LYS A 116 10.524 -0.658 1.447 1.00 0.33 C ATOM 1862 C LYS A 116 11.056 -0.753 2.862 1.00 0.32 C ATOM 1863 O LYS A 116 11.655 -1.751 3.246 1.00 0.40 O ATOM 1864 CB LYS A 116 11.650 -0.207 0.503 1.00 0.44 C ATOM 1865 CG LYS A 116 12.554 0.866 1.076 1.00 0.50 C ATOM 1866 CD LYS A 116 13.721 1.145 0.153 1.00 0.70 C ATOM 1867 CE LYS A 116 14.942 1.581 0.935 1.00 0.97 C ATOM 1868 NZ LYS A 116 14.707 2.837 1.693 1.00 1.48 N ATOM 0 H LYS A 116 9.558 1.163 1.026 1.00 0.29 H new ATOM 0 HA LYS A 116 10.183 -1.634 1.103 1.00 0.33 H new ATOM 0 HB2 LYS A 116 12.256 -1.074 0.240 1.00 0.44 H new ATOM 0 HB3 LYS A 116 11.206 0.164 -0.421 1.00 0.44 H new ATOM 0 HG2 LYS A 116 11.983 1.781 1.233 1.00 0.50 H new ATOM 0 HG3 LYS A 116 12.925 0.551 2.051 1.00 0.50 H new ATOM 0 HD2 LYS A 116 13.955 0.250 -0.423 1.00 0.70 H new ATOM 0 HD3 LYS A 116 13.446 1.921 -0.561 1.00 0.70 H new ATOM 0 HE2 LYS A 116 15.229 0.790 1.627 1.00 0.97 H new ATOM 0 HE3 LYS A 116 15.778 1.724 0.250 1.00 0.97 H new ATOM 0 HZ1 LYS A 116 15.343 2.870 2.515 1.00 1.48 H new ATOM 0 HZ2 LYS A 116 14.894 3.654 1.077 1.00 1.48 H new ATOM 0 HZ3 LYS A 116 13.719 2.867 2.017 1.00 1.48 H new ATOM 1882 N LYS A 117 10.856 0.303 3.630 1.00 0.28 N ATOM 1883 CA LYS A 117 11.265 0.303 5.021 1.00 0.31 C ATOM 1884 C LYS A 117 10.179 -0.287 5.914 1.00 0.33 C ATOM 1885 O LYS A 117 10.422 -0.610 7.077 1.00 0.46 O ATOM 1886 CB LYS A 117 11.632 1.717 5.445 1.00 0.39 C ATOM 1887 CG LYS A 117 12.883 2.231 4.744 1.00 0.55 C ATOM 1888 CD LYS A 117 14.101 1.363 5.044 1.00 1.00 C ATOM 1889 CE LYS A 117 14.372 1.254 6.536 1.00 1.77 C ATOM 1890 NZ LYS A 117 15.601 0.465 6.820 1.00 2.58 N ATOM 0 H LYS A 117 10.415 1.167 3.315 1.00 0.28 H new ATOM 0 HA LYS A 117 12.145 -0.331 5.132 1.00 0.31 H new ATOM 0 HB2 LYS A 117 10.798 2.385 5.229 1.00 0.39 H new ATOM 0 HB3 LYS A 117 11.788 1.740 6.523 1.00 0.39 H new ATOM 0 HG2 LYS A 117 12.712 2.256 3.668 1.00 0.55 H new ATOM 0 HG3 LYS A 117 13.081 3.255 5.059 1.00 0.55 H new ATOM 0 HD2 LYS A 117 13.946 0.366 4.630 1.00 1.00 H new ATOM 0 HD3 LYS A 117 14.976 1.782 4.547 1.00 1.00 H new ATOM 0 HE2 LYS A 117 14.476 2.253 6.960 1.00 1.77 H new ATOM 0 HE3 LYS A 117 13.519 0.786 7.027 1.00 1.77 H new ATOM 0 HZ1 LYS A 117 15.751 0.414 7.848 1.00 2.58 H new ATOM 0 HZ2 LYS A 117 15.493 -0.496 6.438 1.00 2.58 H new ATOM 0 HZ3 LYS A 117 16.420 0.925 6.373 1.00 2.58 H new ATOM 1904 N TYR A 118 8.981 -0.407 5.365 1.00 0.29 N ATOM 1905 CA TYR A 118 7.894 -1.124 6.026 1.00 0.37 C ATOM 1906 C TYR A 118 7.937 -2.594 5.666 1.00 0.39 C ATOM 1907 O TYR A 118 8.167 -3.454 6.517 1.00 0.50 O ATOM 1908 CB TYR A 118 6.547 -0.549 5.617 1.00 0.41 C ATOM 1909 CG TYR A 118 6.151 0.679 6.408 1.00 0.48 C ATOM 1910 CD1 TYR A 118 5.626 0.571 7.689 1.00 0.63 C ATOM 1911 CD2 TYR A 118 6.290 1.947 5.862 1.00 0.54 C ATOM 1912 CE1 TYR A 118 5.252 1.694 8.402 1.00 0.71 C ATOM 1913 CE2 TYR A 118 5.916 3.073 6.567 1.00 0.63 C ATOM 1914 CZ TYR A 118 5.447 2.925 7.885 1.00 0.67 C ATOM 1915 OH TYR A 118 5.019 4.061 8.539 1.00 0.77 O ATOM 0 H TYR A 118 8.732 -0.015 4.457 1.00 0.29 H new ATOM 0 HA TYR A 118 8.021 -1.010 7.103 1.00 0.37 H new ATOM 0 HB2 TYR A 118 6.575 -0.296 4.557 1.00 0.41 H new ATOM 0 HB3 TYR A 118 5.781 -1.314 5.741 1.00 0.41 H new ATOM 0 HD1 TYR A 118 5.508 -0.406 8.135 1.00 0.63 H new ATOM 0 HD2 TYR A 118 6.698 2.055 4.868 1.00 0.54 H new ATOM 0 HE1 TYR A 118 4.802 1.586 9.378 1.00 0.71 H new ATOM 0 HE2 TYR A 118 5.982 4.051 6.114 1.00 0.63 H new ATOM 0 HH TYR A 118 5.252 4.851 8.008 1.00 0.77 H new ATOM 1925 N LEU A 119 7.687 -2.867 4.402 1.00 0.33 N ATOM 1926 CA LEU A 119 7.819 -4.203 3.870 1.00 0.36 C ATOM 1927 C LEU A 119 9.099 -4.297 3.061 1.00 0.39 C ATOM 1928 O LEU A 119 9.144 -3.922 1.890 1.00 0.40 O ATOM 1929 CB LEU A 119 6.643 -4.587 2.979 1.00 0.37 C ATOM 1930 CG LEU A 119 6.822 -5.951 2.311 1.00 0.59 C ATOM 1931 CD1 LEU A 119 6.889 -7.052 3.361 1.00 1.15 C ATOM 1932 CD2 LEU A 119 5.726 -6.217 1.294 1.00 1.37 C ATOM 0 H LEU A 119 7.388 -2.171 3.719 1.00 0.33 H new ATOM 0 HA LEU A 119 7.841 -4.892 4.714 1.00 0.36 H new ATOM 0 HB2 LEU A 119 5.730 -4.597 3.575 1.00 0.37 H new ATOM 0 HB3 LEU A 119 6.513 -3.826 2.210 1.00 0.37 H new ATOM 0 HG LEU A 119 7.767 -5.944 1.768 1.00 0.59 H new ATOM 0 HD11 LEU A 119 7.016 -8.016 2.869 1.00 1.15 H new ATOM 0 HD12 LEU A 119 7.733 -6.869 4.026 1.00 1.15 H new ATOM 0 HD13 LEU A 119 5.966 -7.059 3.940 1.00 1.15 H new ATOM 0 HD21 LEU A 119 5.883 -7.194 0.838 1.00 1.37 H new ATOM 0 HD22 LEU A 119 4.756 -6.200 1.791 1.00 1.37 H new ATOM 0 HD23 LEU A 119 5.751 -5.448 0.522 1.00 1.37 H new ATOM 1944 N PRO A 120 10.156 -4.796 3.676 1.00 0.48 N ATOM 1945 CA PRO A 120 11.443 -4.885 3.066 1.00 0.56 C ATOM 1946 C PRO A 120 11.743 -6.277 2.529 1.00 0.53 C ATOM 1947 O PRO A 120 11.692 -7.274 3.257 1.00 0.61 O ATOM 1948 CB PRO A 120 12.350 -4.528 4.227 1.00 0.68 C ATOM 1949 CG PRO A 120 11.622 -4.992 5.455 1.00 0.67 C ATOM 1950 CD PRO A 120 10.207 -5.316 5.029 1.00 0.55 C ATOM 0 HA PRO A 120 11.554 -4.243 2.192 1.00 0.56 H new ATOM 0 HB2 PRO A 120 13.319 -5.019 4.135 1.00 0.68 H new ATOM 0 HB3 PRO A 120 12.539 -3.455 4.263 1.00 0.68 H new ATOM 0 HG2 PRO A 120 12.107 -5.869 5.883 1.00 0.67 H new ATOM 0 HG3 PRO A 120 11.627 -4.218 6.223 1.00 0.67 H new ATOM 0 HD2 PRO A 120 10.010 -6.388 5.059 1.00 0.55 H new ATOM 0 HD3 PRO A 120 9.470 -4.838 5.675 1.00 0.55 H new ATOM 1958 N LEU A 121 12.064 -6.338 1.253 1.00 0.57 N ATOM 1959 CA LEU A 121 12.361 -7.609 0.613 1.00 0.49 C ATOM 1960 C LEU A 121 13.548 -7.523 -0.348 1.00 0.53 C ATOM 1961 O LEU A 121 14.362 -8.446 -0.414 1.00 0.56 O ATOM 1962 CB LEU A 121 11.131 -8.228 -0.098 1.00 0.50 C ATOM 1963 CG LEU A 121 10.200 -7.342 -0.961 1.00 0.69 C ATOM 1964 CD1 LEU A 121 9.052 -6.787 -0.135 1.00 1.11 C ATOM 1965 CD2 LEU A 121 10.900 -6.215 -1.676 1.00 1.31 C ATOM 0 H LEU A 121 12.127 -5.527 0.638 1.00 0.57 H new ATOM 0 HA LEU A 121 12.640 -8.278 1.427 1.00 0.49 H new ATOM 0 HB2 LEU A 121 11.498 -9.030 -0.739 1.00 0.50 H new ATOM 0 HB3 LEU A 121 10.513 -8.692 0.671 1.00 0.50 H new ATOM 0 HG LEU A 121 9.817 -8.009 -1.734 1.00 0.69 H new ATOM 0 HD11 LEU A 121 8.415 -6.169 -0.767 1.00 1.11 H new ATOM 0 HD12 LEU A 121 8.467 -7.611 0.275 1.00 1.11 H new ATOM 0 HD13 LEU A 121 9.449 -6.183 0.681 1.00 1.11 H new ATOM 0 HD21 LEU A 121 10.174 -5.646 -2.256 1.00 1.31 H new ATOM 0 HD22 LEU A 121 11.375 -5.560 -0.946 1.00 1.31 H new ATOM 0 HD23 LEU A 121 11.659 -6.623 -2.344 1.00 1.31 H new