USER MOD reduce.3.24.130724 H: found=0, std=0, add=538, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 536 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 5 GLN : amide:sc= -0.0768 K(o=1.1,f=-1.4!) USER MOD Set 1.2: A 35 THR OG1 : rot 172:sc= 1.21 USER MOD Set 2.1: A 17 CYS SG : rot -17:sc= -0.408 USER MOD Set 2.2: A 20 CYS SG : rot 7:sc= 1.46 USER MOD Set 2.3: A 69 TYR OH : rot -18:sc= 1 USER MOD Set 3.1: A 11 GLN : amide:sc= -0.475 X(o=0.74,f=0.73) USER MOD Set 3.2: A 45 THR OG1 : rot 72:sc= 1.22 USER MOD Single : A 3 SER OG : rot -109:sc= 1.23 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 15:sc= 0.809 USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.00231 USER MOD Single : A 26 LYS NZ :NH3+ -134:sc= 0.0069 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -173:sc= 2.23 (180deg=2.19) USER MOD Single : A 31 MET CE :methyl -179:sc= -4.43! (180deg=-4.48!) USER MOD Single : A 38 ASN :FLIP amide:sc= -0.0132 F(o=-0.59,f=-0.013) USER MOD Single : A 40 ASN : amide:sc= -0.113 K(o=-0.11,f=-1.9) USER MOD Single : A 43 THR OG1 : rot -45:sc= 0.202 USER MOD Single : A 47 ASN : amide:sc= 0.806 K(o=0.81,f=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 83:sc= 0.163 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= -0.189 X(o=-0.19,f=-0.09) USER MOD Single : A 63 LYS NZ :NH3+ 173:sc= 1.23 (180deg=1.16) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 HIS : no HD1:sc= -0.402 X(o=-0.4,f=-0.35) USER MOD ----------------------------------------------------------------- ATOM 39 N SER A 3 -0.221 15.572 13.079 1.00 0.62 N ATOM 40 CA SER A 3 0.115 14.233 12.647 1.00 0.48 C ATOM 41 C SER A 3 1.637 14.171 12.572 1.00 0.66 C ATOM 42 O SER A 3 2.308 15.209 12.515 1.00 1.40 O ATOM 43 CB SER A 3 -0.484 13.995 11.256 1.00 0.57 C ATOM 44 OG SER A 3 -1.890 13.911 11.340 1.00 0.91 O ATOM 0 HA SER A 3 -0.274 13.477 13.329 1.00 0.48 H new ATOM 0 HB2 SER A 3 -0.200 14.806 10.586 1.00 0.57 H new ATOM 0 HB3 SER A 3 -0.082 13.075 10.831 1.00 0.57 H new ATOM 0 HG SER A 3 -2.172 12.984 11.191 1.00 0.91 H new ATOM 50 N GLU A 4 2.170 12.956 12.534 1.00 0.44 N ATOM 51 CA GLU A 4 3.469 12.630 12.009 1.00 0.48 C ATOM 52 C GLU A 4 3.251 11.813 10.732 1.00 0.47 C ATOM 53 O GLU A 4 2.118 11.662 10.285 1.00 0.65 O ATOM 54 CB GLU A 4 4.220 11.858 13.080 1.00 0.55 C ATOM 55 CG GLU A 4 4.916 12.783 14.062 1.00 0.72 C ATOM 56 CD GLU A 4 6.033 12.075 14.815 1.00 1.13 C ATOM 57 OE1 GLU A 4 5.717 11.075 15.492 1.00 1.71 O ATOM 58 OE2 GLU A 4 7.184 12.541 14.680 1.00 2.34 O ATOM 0 H GLU A 4 1.675 12.138 12.889 1.00 0.44 H new ATOM 0 HA GLU A 4 4.063 13.508 11.754 1.00 0.48 H new ATOM 0 HB2 GLU A 4 3.524 11.214 13.618 1.00 0.55 H new ATOM 0 HB3 GLU A 4 4.957 11.208 12.609 1.00 0.55 H new ATOM 0 HG2 GLU A 4 5.325 13.639 13.526 1.00 0.72 H new ATOM 0 HG3 GLU A 4 4.188 13.171 14.774 1.00 0.72 H new ATOM 65 N GLN A 5 4.329 11.308 10.132 1.00 0.42 N ATOM 66 CA GLN A 5 4.299 10.390 9.007 1.00 0.41 C ATOM 67 C GLN A 5 5.328 9.301 9.278 1.00 0.41 C ATOM 68 O GLN A 5 6.331 9.576 9.935 1.00 0.47 O ATOM 69 CB GLN A 5 4.710 11.145 7.742 1.00 0.45 C ATOM 70 CG GLN A 5 3.696 12.216 7.334 1.00 0.48 C ATOM 71 CD GLN A 5 2.542 11.711 6.475 1.00 0.56 C ATOM 72 OE1 GLN A 5 1.764 12.524 5.990 1.00 1.17 O ATOM 73 NE2 GLN A 5 2.416 10.406 6.240 1.00 0.52 N ATOM 0 H GLN A 5 5.277 11.538 10.431 1.00 0.42 H new ATOM 0 HA GLN A 5 3.303 9.966 8.877 1.00 0.41 H new ATOM 0 HB2 GLN A 5 5.681 11.613 7.903 1.00 0.45 H new ATOM 0 HB3 GLN A 5 4.831 10.435 6.924 1.00 0.45 H new ATOM 0 HG2 GLN A 5 3.287 12.671 8.236 1.00 0.48 H new ATOM 0 HG3 GLN A 5 4.219 13.002 6.789 1.00 0.48 H new ATOM 0 HE21 GLN A 5 3.075 9.747 6.654 1.00 0.52 H new ATOM 0 HE22 GLN A 5 1.660 10.065 5.646 1.00 0.52 H new ATOM 82 N LYS A 6 5.114 8.099 8.739 1.00 0.38 N ATOM 83 CA LYS A 6 6.163 7.111 8.573 1.00 0.39 C ATOM 84 C LYS A 6 5.959 6.336 7.275 1.00 0.36 C ATOM 85 O LYS A 6 4.878 6.362 6.681 1.00 0.34 O ATOM 86 CB LYS A 6 6.255 6.163 9.775 1.00 0.43 C ATOM 87 CG LYS A 6 7.000 6.820 10.944 1.00 0.95 C ATOM 88 CD LYS A 6 7.514 5.769 11.939 1.00 0.95 C ATOM 89 CE LYS A 6 8.911 6.171 12.436 1.00 1.84 C ATOM 90 NZ LYS A 6 9.518 5.127 13.284 1.00 2.68 N ATOM 0 H LYS A 6 4.201 7.789 8.406 1.00 0.38 H new ATOM 0 HA LYS A 6 7.113 7.642 8.517 1.00 0.39 H new ATOM 0 HB2 LYS A 6 5.253 5.877 10.094 1.00 0.43 H new ATOM 0 HB3 LYS A 6 6.769 5.248 9.481 1.00 0.43 H new ATOM 0 HG2 LYS A 6 7.838 7.403 10.562 1.00 0.95 H new ATOM 0 HG3 LYS A 6 6.335 7.515 11.457 1.00 0.95 H new ATOM 0 HD2 LYS A 6 6.827 5.684 12.781 1.00 0.95 H new ATOM 0 HD3 LYS A 6 7.554 4.790 11.461 1.00 0.95 H new ATOM 0 HE2 LYS A 6 9.558 6.365 11.581 1.00 1.84 H new ATOM 0 HE3 LYS A 6 8.841 7.101 13.000 1.00 1.84 H new ATOM 0 HZ1 LYS A 6 10.459 5.439 13.598 1.00 2.68 H new ATOM 0 HZ2 LYS A 6 8.914 4.959 14.114 1.00 2.68 H new ATOM 0 HZ3 LYS A 6 9.609 4.246 12.739 1.00 2.68 H new ATOM 104 N GLU A 7 7.039 5.668 6.870 1.00 0.39 N ATOM 105 CA GLU A 7 7.295 5.063 5.589 1.00 0.38 C ATOM 106 C GLU A 7 7.569 3.597 5.866 1.00 0.44 C ATOM 107 O GLU A 7 8.706 3.157 6.028 1.00 0.82 O ATOM 108 CB GLU A 7 8.522 5.706 4.932 1.00 0.47 C ATOM 109 CG GLU A 7 8.699 7.206 5.212 1.00 0.65 C ATOM 110 CD GLU A 7 9.429 7.512 6.525 1.00 0.80 C ATOM 111 OE1 GLU A 7 9.359 6.674 7.456 1.00 0.84 O ATOM 112 OE2 GLU A 7 10.043 8.597 6.578 1.00 1.56 O ATOM 0 H GLU A 7 7.827 5.531 7.503 1.00 0.39 H new ATOM 0 HA GLU A 7 6.451 5.196 4.912 1.00 0.38 H new ATOM 0 HB2 GLU A 7 9.414 5.181 5.272 1.00 0.47 H new ATOM 0 HB3 GLU A 7 8.457 5.558 3.854 1.00 0.47 H new ATOM 0 HG2 GLU A 7 9.251 7.657 4.387 1.00 0.65 H new ATOM 0 HG3 GLU A 7 7.717 7.679 5.235 1.00 0.65 H new ATOM 119 N ILE A 8 6.505 2.826 5.957 1.00 0.27 N ATOM 120 CA ILE A 8 6.640 1.433 6.255 1.00 0.32 C ATOM 121 C ILE A 8 6.962 0.756 4.926 1.00 0.22 C ATOM 122 O ILE A 8 6.762 1.332 3.853 1.00 0.29 O ATOM 123 CB ILE A 8 5.370 0.957 6.950 1.00 0.52 C ATOM 124 CG1 ILE A 8 5.184 1.527 8.370 1.00 1.63 C ATOM 125 CG2 ILE A 8 5.361 -0.536 7.132 1.00 0.89 C ATOM 126 CD1 ILE A 8 4.753 2.981 8.364 1.00 2.03 C ATOM 0 H ILE A 8 5.546 3.147 5.828 1.00 0.27 H new ATOM 0 HA ILE A 8 7.442 1.190 6.952 1.00 0.32 H new ATOM 0 HB ILE A 8 4.575 1.306 6.291 1.00 0.52 H new ATOM 0 HG12 ILE A 8 4.440 0.934 8.901 1.00 1.63 H new ATOM 0 HG13 ILE A 8 6.120 1.432 8.921 1.00 1.63 H new ATOM 0 HG21 ILE A 8 4.440 -0.836 7.631 1.00 0.89 H new ATOM 0 HG22 ILE A 8 5.421 -1.022 6.158 1.00 0.89 H new ATOM 0 HG23 ILE A 8 6.216 -0.834 7.739 1.00 0.89 H new ATOM 0 HD11 ILE A 8 4.637 3.330 9.390 1.00 2.03 H new ATOM 0 HD12 ILE A 8 5.509 3.582 7.859 1.00 2.03 H new ATOM 0 HD13 ILE A 8 3.803 3.077 7.839 1.00 2.03 H new ATOM 138 N ALA A 9 7.515 -0.447 5.018 1.00 0.27 N ATOM 139 CA ALA A 9 7.886 -1.302 3.903 1.00 0.24 C ATOM 140 C ALA A 9 7.092 -2.589 4.071 1.00 0.36 C ATOM 141 O ALA A 9 7.020 -3.113 5.183 1.00 0.53 O ATOM 142 CB ALA A 9 9.391 -1.575 3.924 1.00 0.31 C ATOM 0 H ALA A 9 7.727 -0.872 5.921 1.00 0.27 H new ATOM 0 HA ALA A 9 7.664 -0.833 2.944 1.00 0.24 H new ATOM 0 HB1 ALA A 9 9.656 -2.217 3.084 1.00 0.31 H new ATOM 0 HB2 ALA A 9 9.933 -0.632 3.846 1.00 0.31 H new ATOM 0 HB3 ALA A 9 9.658 -2.071 4.857 1.00 0.31 H new ATOM 148 N MET A 10 6.464 -3.069 3.000 1.00 0.38 N ATOM 149 CA MET A 10 5.624 -4.247 3.017 1.00 0.64 C ATOM 150 C MET A 10 5.914 -5.063 1.758 1.00 0.41 C ATOM 151 O MET A 10 6.487 -4.541 0.802 1.00 0.27 O ATOM 152 CB MET A 10 4.160 -3.788 3.116 1.00 1.10 C ATOM 153 CG MET A 10 3.494 -4.403 4.339 1.00 1.24 C ATOM 154 SD MET A 10 1.800 -3.859 4.700 1.00 2.24 S ATOM 155 CE MET A 10 2.143 -2.342 5.615 1.00 2.08 C ATOM 0 H MET A 10 6.532 -2.635 2.080 1.00 0.38 H new ATOM 0 HA MET A 10 5.826 -4.890 3.874 1.00 0.64 H new ATOM 0 HB2 MET A 10 4.116 -2.701 3.178 1.00 1.10 H new ATOM 0 HB3 MET A 10 3.619 -4.078 2.215 1.00 1.10 H new ATOM 0 HG2 MET A 10 3.485 -5.486 4.214 1.00 1.24 H new ATOM 0 HG3 MET A 10 4.114 -4.188 5.209 1.00 1.24 H new ATOM 0 HE1 MET A 10 1.204 -1.877 5.914 1.00 2.08 H new ATOM 0 HE2 MET A 10 2.730 -2.577 6.503 1.00 2.08 H new ATOM 0 HE3 MET A 10 2.703 -1.654 4.982 1.00 2.08 H new ATOM 165 N GLN A 11 5.534 -6.341 1.768 1.00 0.46 N ATOM 166 CA GLN A 11 5.675 -7.246 0.637 1.00 0.37 C ATOM 167 C GLN A 11 4.349 -7.309 -0.115 1.00 0.28 C ATOM 168 O GLN A 11 3.293 -7.204 0.499 1.00 0.34 O ATOM 169 CB GLN A 11 6.095 -8.644 1.138 1.00 0.49 C ATOM 170 CG GLN A 11 7.615 -8.804 1.262 1.00 0.82 C ATOM 171 CD GLN A 11 8.308 -8.510 -0.059 1.00 1.25 C ATOM 172 OE1 GLN A 11 9.282 -7.769 -0.105 1.00 2.42 O ATOM 173 NE2 GLN A 11 7.750 -9.019 -1.152 1.00 0.90 N ATOM 0 H GLN A 11 5.110 -6.782 2.584 1.00 0.46 H new ATOM 0 HA GLN A 11 6.448 -6.884 -0.041 1.00 0.37 H new ATOM 0 HB2 GLN A 11 5.635 -8.829 2.109 1.00 0.49 H new ATOM 0 HB3 GLN A 11 5.710 -9.400 0.454 1.00 0.49 H new ATOM 0 HG2 GLN A 11 7.993 -8.131 2.032 1.00 0.82 H new ATOM 0 HG3 GLN A 11 7.852 -9.819 1.582 1.00 0.82 H new ATOM 0 HE21 GLN A 11 6.939 -9.633 -1.072 1.00 0.90 H new ATOM 0 HE22 GLN A 11 8.132 -8.796 -2.071 1.00 0.90 H new ATOM 182 N VAL A 12 4.394 -7.478 -1.436 1.00 0.38 N ATOM 183 CA VAL A 12 3.210 -7.531 -2.288 1.00 0.41 C ATOM 184 C VAL A 12 2.943 -8.986 -2.681 1.00 0.37 C ATOM 185 O VAL A 12 3.887 -9.771 -2.777 1.00 0.45 O ATOM 186 CB VAL A 12 3.448 -6.635 -3.516 1.00 0.55 C ATOM 187 CG1 VAL A 12 2.212 -6.602 -4.417 1.00 1.24 C ATOM 188 CG2 VAL A 12 3.766 -5.199 -3.080 1.00 1.10 C ATOM 0 H VAL A 12 5.268 -7.583 -1.951 1.00 0.38 H new ATOM 0 HA VAL A 12 2.329 -7.161 -1.763 1.00 0.41 H new ATOM 0 HB VAL A 12 4.291 -7.054 -4.066 1.00 0.55 H new ATOM 0 HG11 VAL A 12 2.406 -5.962 -5.278 1.00 1.24 H new ATOM 0 HG12 VAL A 12 1.984 -7.611 -4.760 1.00 1.24 H new ATOM 0 HG13 VAL A 12 1.364 -6.209 -3.857 1.00 1.24 H new ATOM 0 HG21 VAL A 12 3.931 -4.579 -3.961 1.00 1.10 H new ATOM 0 HG22 VAL A 12 2.929 -4.799 -2.507 1.00 1.10 H new ATOM 0 HG23 VAL A 12 4.663 -5.197 -2.461 1.00 1.10 H new ATOM 198 N SER A 13 1.681 -9.374 -2.905 1.00 0.36 N ATOM 199 CA SER A 13 1.338 -10.685 -3.450 1.00 0.42 C ATOM 200 C SER A 13 0.005 -10.611 -4.198 1.00 0.49 C ATOM 201 O SER A 13 -0.746 -9.652 -4.036 1.00 0.64 O ATOM 202 CB SER A 13 1.271 -11.724 -2.323 1.00 0.62 C ATOM 203 OG SER A 13 2.558 -11.994 -1.803 1.00 1.17 O ATOM 0 H SER A 13 0.872 -8.784 -2.712 1.00 0.36 H new ATOM 0 HA SER A 13 2.112 -10.991 -4.154 1.00 0.42 H new ATOM 0 HB2 SER A 13 0.622 -11.360 -1.526 1.00 0.62 H new ATOM 0 HB3 SER A 13 0.827 -12.645 -2.699 1.00 0.62 H new ATOM 0 HG SER A 13 3.185 -11.304 -2.106 1.00 1.17 H new ATOM 209 N GLY A 14 -0.284 -11.637 -5.006 1.00 0.60 N ATOM 210 CA GLY A 14 -1.527 -11.742 -5.761 1.00 0.81 C ATOM 211 C GLY A 14 -1.639 -10.616 -6.787 1.00 0.90 C ATOM 212 O GLY A 14 -2.429 -9.693 -6.614 1.00 1.73 O ATOM 0 H GLY A 14 0.349 -12.424 -5.152 1.00 0.60 H new ATOM 0 HA2 GLY A 14 -1.569 -12.706 -6.267 1.00 0.81 H new ATOM 0 HA3 GLY A 14 -2.376 -11.703 -5.079 1.00 0.81 H new ATOM 216 N MET A 15 -0.836 -10.691 -7.853 1.00 0.99 N ATOM 217 CA MET A 15 -0.704 -9.634 -8.843 1.00 1.09 C ATOM 218 C MET A 15 -0.252 -10.225 -10.175 1.00 1.03 C ATOM 219 O MET A 15 0.141 -11.392 -10.222 1.00 1.17 O ATOM 220 CB MET A 15 0.299 -8.596 -8.322 1.00 1.14 C ATOM 221 CG MET A 15 1.731 -9.122 -8.155 1.00 1.01 C ATOM 222 SD MET A 15 2.749 -9.059 -9.652 1.00 1.54 S ATOM 223 CE MET A 15 3.599 -10.645 -9.522 1.00 2.07 C ATOM 0 H MET A 15 -0.253 -11.504 -8.049 1.00 0.99 H new ATOM 0 HA MET A 15 -1.664 -9.145 -9.008 1.00 1.09 H new ATOM 0 HB2 MET A 15 0.314 -7.749 -9.007 1.00 1.14 H new ATOM 0 HB3 MET A 15 -0.051 -8.222 -7.360 1.00 1.14 H new ATOM 0 HG2 MET A 15 2.225 -8.545 -7.373 1.00 1.01 H new ATOM 0 HG3 MET A 15 1.685 -10.154 -7.808 1.00 1.01 H new ATOM 0 HE1 MET A 15 4.271 -10.768 -10.371 1.00 2.07 H new ATOM 0 HE2 MET A 15 4.174 -10.675 -8.597 1.00 2.07 H new ATOM 0 HE3 MET A 15 2.866 -11.452 -9.519 1.00 2.07 H new ATOM 233 N THR A 16 -0.283 -9.409 -11.233 1.00 0.98 N ATOM 234 CA THR A 16 0.329 -9.721 -12.520 1.00 1.04 C ATOM 235 C THR A 16 1.527 -8.809 -12.800 1.00 0.91 C ATOM 236 O THR A 16 2.553 -9.305 -13.263 1.00 1.26 O ATOM 237 CB THR A 16 -0.705 -9.642 -13.653 1.00 1.60 C ATOM 238 OG1 THR A 16 -1.670 -8.647 -13.377 1.00 1.91 O ATOM 239 CG2 THR A 16 -1.408 -10.989 -13.842 1.00 2.33 C ATOM 0 H THR A 16 -0.743 -8.499 -11.215 1.00 0.98 H new ATOM 0 HA THR A 16 0.698 -10.745 -12.474 1.00 1.04 H new ATOM 0 HB THR A 16 -0.174 -9.385 -14.570 1.00 1.60 H new ATOM 0 HG1 THR A 16 -2.320 -8.609 -14.110 1.00 1.91 H new ATOM 0 HG21 THR A 16 -2.136 -10.909 -14.649 1.00 2.33 H new ATOM 0 HG22 THR A 16 -0.671 -11.752 -14.092 1.00 2.33 H new ATOM 0 HG23 THR A 16 -1.918 -11.266 -12.919 1.00 2.33 H new ATOM 247 N CYS A 17 1.417 -7.495 -12.558 1.00 1.07 N ATOM 248 CA CYS A 17 2.465 -6.552 -12.916 1.00 1.68 C ATOM 249 C CYS A 17 2.528 -5.381 -11.936 1.00 1.74 C ATOM 250 O CYS A 17 1.718 -5.259 -11.019 1.00 2.66 O ATOM 251 CB CYS A 17 2.251 -6.089 -14.367 1.00 1.96 C ATOM 252 SG CYS A 17 0.786 -5.027 -14.504 1.00 1.98 S ATOM 0 H CYS A 17 0.605 -7.068 -12.113 1.00 1.07 H new ATOM 0 HA CYS A 17 3.433 -7.048 -12.850 1.00 1.68 H new ATOM 0 HB2 CYS A 17 3.131 -5.546 -14.712 1.00 1.96 H new ATOM 0 HB3 CYS A 17 2.137 -6.957 -15.016 1.00 1.96 H new ATOM 0 HG CYS A 17 0.039 -5.179 -13.451 1.00 1.98 H new ATOM 257 N ALA A 18 3.512 -4.506 -12.149 1.00 1.52 N ATOM 258 CA ALA A 18 3.700 -3.311 -11.345 1.00 1.64 C ATOM 259 C ALA A 18 2.629 -2.256 -11.635 1.00 1.47 C ATOM 260 O ALA A 18 2.376 -1.394 -10.799 1.00 2.62 O ATOM 261 CB ALA A 18 5.102 -2.749 -11.592 1.00 2.23 C ATOM 0 H ALA A 18 4.203 -4.613 -12.892 1.00 1.52 H new ATOM 0 HA ALA A 18 3.599 -3.582 -10.294 1.00 1.64 H new ATOM 0 HB1 ALA A 18 5.246 -1.852 -10.990 1.00 2.23 H new ATOM 0 HB2 ALA A 18 5.847 -3.495 -11.315 1.00 2.23 H new ATOM 0 HB3 ALA A 18 5.213 -2.499 -12.647 1.00 2.23 H new ATOM 267 N ALA A 19 2.013 -2.277 -12.822 1.00 0.72 N ATOM 268 CA ALA A 19 1.050 -1.253 -13.213 1.00 0.64 C ATOM 269 C ALA A 19 -0.174 -1.281 -12.297 1.00 0.52 C ATOM 270 O ALA A 19 -0.584 -0.246 -11.767 1.00 0.70 O ATOM 271 CB ALA A 19 0.657 -1.412 -14.683 1.00 0.72 C ATOM 0 H ALA A 19 2.168 -2.997 -13.528 1.00 0.72 H new ATOM 0 HA ALA A 19 1.521 -0.276 -13.102 1.00 0.64 H new ATOM 0 HB1 ALA A 19 -0.062 -0.638 -14.953 1.00 0.72 H new ATOM 0 HB2 ALA A 19 1.544 -1.318 -15.309 1.00 0.72 H new ATOM 0 HB3 ALA A 19 0.208 -2.393 -14.835 1.00 0.72 H new ATOM 277 N CYS A 20 -0.766 -2.459 -12.084 1.00 0.38 N ATOM 278 CA CYS A 20 -1.848 -2.566 -11.118 1.00 0.34 C ATOM 279 C CYS A 20 -1.335 -2.279 -9.703 1.00 0.27 C ATOM 280 O CYS A 20 -1.980 -1.558 -8.942 1.00 0.29 O ATOM 281 CB CYS A 20 -2.628 -3.882 -11.267 1.00 0.44 C ATOM 282 SG CYS A 20 -1.573 -5.356 -11.410 1.00 2.45 S ATOM 0 H CYS A 20 -0.519 -3.328 -12.557 1.00 0.38 H new ATOM 0 HA CYS A 20 -2.588 -1.794 -11.328 1.00 0.34 H new ATOM 0 HB2 CYS A 20 -3.286 -4.001 -10.407 1.00 0.44 H new ATOM 0 HB3 CYS A 20 -3.265 -3.817 -12.149 1.00 0.44 H new ATOM 0 HG CYS A 20 -0.332 -5.023 -11.212 1.00 2.45 H new ATOM 287 N ALA A 21 -0.131 -2.750 -9.381 1.00 0.28 N ATOM 288 CA ALA A 21 0.524 -2.422 -8.122 1.00 0.32 C ATOM 289 C ALA A 21 0.676 -0.899 -7.927 1.00 0.33 C ATOM 290 O ALA A 21 0.664 -0.394 -6.810 1.00 0.41 O ATOM 291 CB ALA A 21 1.856 -3.172 -8.023 1.00 0.40 C ATOM 0 H ALA A 21 0.413 -3.367 -9.984 1.00 0.28 H new ATOM 0 HA ALA A 21 -0.109 -2.755 -7.300 1.00 0.32 H new ATOM 0 HB1 ALA A 21 2.344 -2.925 -7.080 1.00 0.40 H new ATOM 0 HB2 ALA A 21 1.673 -4.246 -8.066 1.00 0.40 H new ATOM 0 HB3 ALA A 21 2.500 -2.880 -8.852 1.00 0.40 H new ATOM 297 N ALA A 22 0.794 -0.124 -9.007 1.00 0.34 N ATOM 298 CA ALA A 22 0.766 1.324 -8.934 1.00 0.43 C ATOM 299 C ALA A 22 -0.649 1.771 -8.577 1.00 0.46 C ATOM 300 O ALA A 22 -0.830 2.531 -7.622 1.00 0.46 O ATOM 301 CB ALA A 22 1.228 1.932 -10.260 1.00 0.50 C ATOM 0 H ALA A 22 0.911 -0.489 -9.952 1.00 0.34 H new ATOM 0 HA ALA A 22 1.451 1.673 -8.161 1.00 0.43 H new ATOM 0 HB1 ALA A 22 1.202 3.019 -10.190 1.00 0.50 H new ATOM 0 HB2 ALA A 22 2.246 1.607 -10.474 1.00 0.50 H new ATOM 0 HB3 ALA A 22 0.566 1.604 -11.061 1.00 0.50 H new ATOM 307 N ARG A 23 -1.646 1.312 -9.348 1.00 0.49 N ATOM 308 CA ARG A 23 -3.044 1.638 -9.080 1.00 0.42 C ATOM 309 C ARG A 23 -3.369 1.450 -7.602 1.00 0.42 C ATOM 310 O ARG A 23 -3.939 2.361 -7.007 1.00 0.45 O ATOM 311 CB ARG A 23 -4.034 0.809 -9.914 1.00 0.40 C ATOM 312 CG ARG A 23 -4.513 1.469 -11.212 1.00 0.82 C ATOM 313 CD ARG A 23 -3.584 1.241 -12.411 1.00 1.42 C ATOM 314 NE ARG A 23 -4.346 1.289 -13.673 1.00 2.24 N ATOM 315 CZ ARG A 23 -4.901 2.385 -14.214 1.00 3.00 C ATOM 316 NH1 ARG A 23 -4.614 3.591 -13.714 1.00 3.75 N ATOM 317 NH2 ARG A 23 -5.751 2.267 -15.241 1.00 3.92 N ATOM 0 H ARG A 23 -1.504 0.714 -10.162 1.00 0.49 H new ATOM 0 HA ARG A 23 -3.162 2.683 -9.367 1.00 0.42 H new ATOM 0 HB2 ARG A 23 -3.566 -0.144 -10.162 1.00 0.40 H new ATOM 0 HB3 ARG A 23 -4.904 0.585 -9.297 1.00 0.40 H new ATOM 0 HG2 ARG A 23 -5.504 1.087 -11.457 1.00 0.82 H new ATOM 0 HG3 ARG A 23 -4.616 2.541 -11.045 1.00 0.82 H new ATOM 0 HD2 ARG A 23 -2.803 2.001 -12.422 1.00 1.42 H new ATOM 0 HD3 ARG A 23 -3.088 0.275 -12.316 1.00 1.42 H new ATOM 0 HE ARG A 23 -4.461 0.411 -14.180 1.00 2.24 H new ATOM 0 HH11 ARG A 23 -3.975 3.677 -12.924 1.00 3.75 H new ATOM 0 HH12 ARG A 23 -5.034 4.426 -14.123 1.00 3.75 H new ATOM 0 HH21 ARG A 23 -5.977 1.344 -15.613 1.00 3.92 H new ATOM 0 HH22 ARG A 23 -6.173 3.100 -15.652 1.00 3.92 H new ATOM 331 N ILE A 24 -3.041 0.292 -7.015 1.00 0.41 N ATOM 332 CA ILE A 24 -3.413 0.055 -5.624 1.00 0.41 C ATOM 333 C ILE A 24 -2.842 1.146 -4.719 1.00 0.40 C ATOM 334 O ILE A 24 -3.617 1.870 -4.104 1.00 0.47 O ATOM 335 CB ILE A 24 -3.183 -1.387 -5.143 1.00 0.42 C ATOM 336 CG1 ILE A 24 -1.710 -1.637 -4.850 1.00 0.40 C ATOM 337 CG2 ILE A 24 -3.788 -2.376 -6.142 1.00 0.51 C ATOM 338 CD1 ILE A 24 -1.307 -3.090 -4.644 1.00 0.40 C ATOM 0 H ILE A 24 -2.536 -0.470 -7.467 1.00 0.41 H new ATOM 0 HA ILE A 24 -4.498 0.141 -5.557 1.00 0.41 H new ATOM 0 HB ILE A 24 -3.700 -1.543 -4.196 1.00 0.42 H new ATOM 0 HG12 ILE A 24 -1.122 -1.231 -5.673 1.00 0.40 H new ATOM 0 HG13 ILE A 24 -1.437 -1.075 -3.957 1.00 0.40 H new ATOM 0 HG21 ILE A 24 -3.620 -3.395 -5.793 1.00 0.51 H new ATOM 0 HG22 ILE A 24 -4.859 -2.195 -6.230 1.00 0.51 H new ATOM 0 HG23 ILE A 24 -3.316 -2.244 -7.116 1.00 0.51 H new ATOM 0 HD11 ILE A 24 -0.237 -3.146 -4.443 1.00 0.40 H new ATOM 0 HD12 ILE A 24 -1.857 -3.504 -3.799 1.00 0.40 H new ATOM 0 HD13 ILE A 24 -1.537 -3.662 -5.543 1.00 0.40 H new ATOM 350 N GLU A 25 -1.520 1.343 -4.696 1.00 0.36 N ATOM 351 CA GLU A 25 -0.894 2.372 -3.876 1.00 0.34 C ATOM 352 C GLU A 25 -1.542 3.734 -4.115 1.00 0.33 C ATOM 353 O GLU A 25 -1.854 4.447 -3.163 1.00 0.32 O ATOM 354 CB GLU A 25 0.622 2.407 -4.135 1.00 0.34 C ATOM 355 CG GLU A 25 1.393 1.536 -3.134 1.00 0.40 C ATOM 356 CD GLU A 25 0.846 0.122 -3.016 1.00 1.23 C ATOM 357 OE1 GLU A 25 1.324 -0.738 -3.784 1.00 2.42 O ATOM 358 OE2 GLU A 25 -0.018 -0.074 -2.134 1.00 2.11 O ATOM 0 H GLU A 25 -0.860 0.793 -5.245 1.00 0.36 H new ATOM 0 HA GLU A 25 -1.050 2.125 -2.826 1.00 0.34 H new ATOM 0 HB2 GLU A 25 0.825 2.062 -5.149 1.00 0.34 H new ATOM 0 HB3 GLU A 25 0.978 3.435 -4.071 1.00 0.34 H new ATOM 0 HG2 GLU A 25 2.439 1.489 -3.436 1.00 0.40 H new ATOM 0 HG3 GLU A 25 1.365 2.011 -2.153 1.00 0.40 H new ATOM 365 N LYS A 26 -1.774 4.110 -5.375 1.00 0.37 N ATOM 366 CA LYS A 26 -2.336 5.430 -5.641 1.00 0.37 C ATOM 367 C LYS A 26 -3.778 5.525 -5.125 1.00 0.38 C ATOM 368 O LYS A 26 -4.173 6.535 -4.546 1.00 0.47 O ATOM 369 CB LYS A 26 -2.200 5.863 -7.104 1.00 0.42 C ATOM 370 CG LYS A 26 -0.804 6.451 -7.396 1.00 0.63 C ATOM 371 CD LYS A 26 0.238 5.347 -7.560 1.00 1.21 C ATOM 372 CE LYS A 26 1.612 5.872 -8.008 1.00 0.92 C ATOM 373 NZ LYS A 26 2.552 6.033 -6.875 1.00 1.53 N ATOM 0 H LYS A 26 -1.588 3.539 -6.200 1.00 0.37 H new ATOM 0 HA LYS A 26 -1.738 6.149 -5.081 1.00 0.37 H new ATOM 0 HB2 LYS A 26 -2.378 5.007 -7.755 1.00 0.42 H new ATOM 0 HB3 LYS A 26 -2.964 6.605 -7.337 1.00 0.42 H new ATOM 0 HG2 LYS A 26 -0.843 7.055 -8.303 1.00 0.63 H new ATOM 0 HG3 LYS A 26 -0.509 7.115 -6.583 1.00 0.63 H new ATOM 0 HD2 LYS A 26 0.349 4.818 -6.613 1.00 1.21 H new ATOM 0 HD3 LYS A 26 -0.122 4.622 -8.290 1.00 1.21 H new ATOM 0 HE2 LYS A 26 2.041 5.184 -8.737 1.00 0.92 H new ATOM 0 HE3 LYS A 26 1.485 6.831 -8.510 1.00 0.92 H new ATOM 0 HZ1 LYS A 26 3.029 6.954 -6.948 1.00 1.53 H new ATOM 0 HZ2 LYS A 26 2.027 5.985 -5.979 1.00 1.53 H new ATOM 0 HZ3 LYS A 26 3.261 5.273 -6.902 1.00 1.53 H new ATOM 387 N GLY A 27 -4.569 4.466 -5.298 1.00 0.37 N ATOM 388 CA GLY A 27 -5.913 4.394 -4.749 1.00 0.43 C ATOM 389 C GLY A 27 -5.894 4.290 -3.224 1.00 0.43 C ATOM 390 O GLY A 27 -6.879 4.650 -2.577 1.00 0.64 O ATOM 0 H GLY A 27 -4.291 3.637 -5.823 1.00 0.37 H new ATOM 0 HA2 GLY A 27 -6.476 5.279 -5.047 1.00 0.43 H new ATOM 0 HA3 GLY A 27 -6.431 3.531 -5.167 1.00 0.43 H new ATOM 394 N LEU A 28 -4.803 3.786 -2.644 1.00 0.42 N ATOM 395 CA LEU A 28 -4.583 3.742 -1.203 1.00 0.44 C ATOM 396 C LEU A 28 -4.354 5.173 -0.713 1.00 0.48 C ATOM 397 O LEU A 28 -4.964 5.619 0.254 1.00 0.58 O ATOM 398 CB LEU A 28 -3.412 2.793 -0.880 1.00 0.55 C ATOM 399 CG LEU A 28 -3.661 1.940 0.370 1.00 0.54 C ATOM 400 CD1 LEU A 28 -2.613 0.825 0.467 1.00 1.68 C ATOM 401 CD2 LEU A 28 -3.600 2.794 1.631 1.00 1.46 C ATOM 0 H LEU A 28 -4.031 3.388 -3.179 1.00 0.42 H new ATOM 0 HA LEU A 28 -5.451 3.342 -0.679 1.00 0.44 H new ATOM 0 HB2 LEU A 28 -3.237 2.137 -1.733 1.00 0.55 H new ATOM 0 HB3 LEU A 28 -2.504 3.380 -0.738 1.00 0.55 H new ATOM 0 HG LEU A 28 -4.656 1.503 0.285 1.00 0.54 H new ATOM 0 HD11 LEU A 28 -2.800 0.226 1.358 1.00 1.68 H new ATOM 0 HD12 LEU A 28 -2.675 0.190 -0.417 1.00 1.68 H new ATOM 0 HD13 LEU A 28 -1.618 1.265 0.528 1.00 1.68 H new ATOM 0 HD21 LEU A 28 -3.780 2.167 2.504 1.00 1.46 H new ATOM 0 HD22 LEU A 28 -2.615 3.254 1.711 1.00 1.46 H new ATOM 0 HD23 LEU A 28 -4.361 3.572 1.580 1.00 1.46 H new ATOM 413 N LYS A 29 -3.544 5.927 -1.459 1.00 0.47 N ATOM 414 CA LYS A 29 -3.285 7.347 -1.251 1.00 0.63 C ATOM 415 C LYS A 29 -4.559 8.185 -1.101 1.00 0.67 C ATOM 416 O LYS A 29 -4.517 9.283 -0.552 1.00 0.93 O ATOM 417 CB LYS A 29 -2.476 7.884 -2.438 1.00 0.75 C ATOM 418 CG LYS A 29 -1.449 8.890 -1.946 1.00 0.87 C ATOM 419 CD LYS A 29 -0.822 9.665 -3.119 1.00 1.23 C ATOM 420 CE LYS A 29 -1.370 11.098 -3.227 1.00 1.61 C ATOM 421 NZ LYS A 29 -0.905 11.949 -2.112 1.00 2.40 N ATOM 0 H LYS A 29 -3.032 5.547 -2.255 1.00 0.47 H new ATOM 0 HA LYS A 29 -2.734 7.435 -0.314 1.00 0.63 H new ATOM 0 HB2 LYS A 29 -1.977 7.062 -2.952 1.00 0.75 H new ATOM 0 HB3 LYS A 29 -3.142 8.354 -3.161 1.00 0.75 H new ATOM 0 HG2 LYS A 29 -1.922 9.589 -1.257 1.00 0.87 H new ATOM 0 HG3 LYS A 29 -0.667 8.373 -1.389 1.00 0.87 H new ATOM 0 HD2 LYS A 29 0.260 9.700 -2.992 1.00 1.23 H new ATOM 0 HD3 LYS A 29 -1.017 9.132 -4.050 1.00 1.23 H new ATOM 0 HE2 LYS A 29 -1.056 11.537 -4.174 1.00 1.61 H new ATOM 0 HE3 LYS A 29 -2.460 11.071 -3.234 1.00 1.61 H new ATOM 0 HZ1 LYS A 29 -1.387 12.869 -2.153 1.00 2.40 H new ATOM 0 HZ2 LYS A 29 -1.122 11.485 -1.207 1.00 2.40 H new ATOM 0 HZ3 LYS A 29 0.122 12.093 -2.190 1.00 2.40 H new ATOM 435 N ARG A 30 -5.677 7.708 -1.651 1.00 0.53 N ATOM 436 CA ARG A 30 -6.956 8.396 -1.599 1.00 0.61 C ATOM 437 C ARG A 30 -7.720 8.141 -0.292 1.00 0.66 C ATOM 438 O ARG A 30 -8.821 8.670 -0.144 1.00 0.83 O ATOM 439 CB ARG A 30 -7.770 8.019 -2.854 1.00 0.66 C ATOM 440 CG ARG A 30 -7.619 9.107 -3.925 1.00 0.95 C ATOM 441 CD ARG A 30 -8.470 10.337 -3.566 1.00 1.44 C ATOM 442 NE ARG A 30 -7.813 11.590 -3.975 1.00 2.12 N ATOM 443 CZ ARG A 30 -8.178 12.814 -3.557 1.00 3.12 C ATOM 444 NH1 ARG A 30 -9.271 12.962 -2.800 1.00 3.88 N ATOM 445 NH2 ARG A 30 -7.448 13.883 -3.896 1.00 3.91 N ATOM 0 H ARG A 30 -5.714 6.820 -2.151 1.00 0.53 H new ATOM 0 HA ARG A 30 -6.779 9.472 -1.601 1.00 0.61 H new ATOM 0 HB2 ARG A 30 -7.427 7.062 -3.246 1.00 0.66 H new ATOM 0 HB3 ARG A 30 -8.821 7.898 -2.593 1.00 0.66 H new ATOM 0 HG2 ARG A 30 -6.572 9.395 -4.014 1.00 0.95 H new ATOM 0 HG3 ARG A 30 -7.925 8.716 -4.895 1.00 0.95 H new ATOM 0 HD2 ARG A 30 -9.443 10.261 -4.051 1.00 1.44 H new ATOM 0 HD3 ARG A 30 -8.650 10.354 -2.491 1.00 1.44 H new ATOM 0 HE ARG A 30 -7.026 11.524 -4.621 1.00 2.12 H new ATOM 0 HH11 ARG A 30 -9.826 12.146 -2.541 1.00 3.88 H new ATOM 0 HH12 ARG A 30 -9.549 13.890 -2.482 1.00 3.88 H new ATOM 0 HH21 ARG A 30 -6.614 13.769 -4.472 1.00 3.91 H new ATOM 0 HH22 ARG A 30 -7.726 14.812 -3.578 1.00 3.91 H new ATOM 459 N MET A 31 -7.178 7.346 0.640 1.00 0.57 N ATOM 460 CA MET A 31 -7.842 7.011 1.897 1.00 0.62 C ATOM 461 C MET A 31 -7.423 7.960 3.030 1.00 0.52 C ATOM 462 O MET A 31 -6.325 8.513 2.981 1.00 0.47 O ATOM 463 CB MET A 31 -7.577 5.531 2.224 1.00 0.81 C ATOM 464 CG MET A 31 -6.510 5.237 3.281 1.00 1.65 C ATOM 465 SD MET A 31 -6.350 3.506 3.785 1.00 3.13 S ATOM 466 CE MET A 31 -7.973 3.244 4.547 1.00 3.22 C ATOM 0 H MET A 31 -6.259 6.916 0.538 1.00 0.57 H new ATOM 0 HA MET A 31 -8.918 7.148 1.790 1.00 0.62 H new ATOM 0 HB2 MET A 31 -8.514 5.083 2.554 1.00 0.81 H new ATOM 0 HB3 MET A 31 -7.290 5.026 1.302 1.00 0.81 H new ATOM 0 HG2 MET A 31 -5.546 5.575 2.900 1.00 1.65 H new ATOM 0 HG3 MET A 31 -6.729 5.834 4.166 1.00 1.65 H new ATOM 0 HE1 MET A 31 -8.035 2.225 4.929 1.00 3.22 H new ATOM 0 HE2 MET A 31 -8.108 3.948 5.368 1.00 3.22 H new ATOM 0 HE3 MET A 31 -8.754 3.401 3.803 1.00 3.22 H new ATOM 476 N PRO A 32 -8.251 8.125 4.078 1.00 0.59 N ATOM 477 CA PRO A 32 -7.875 8.892 5.257 1.00 0.58 C ATOM 478 C PRO A 32 -6.669 8.237 5.940 1.00 0.66 C ATOM 479 O PRO A 32 -6.635 7.021 6.102 1.00 0.81 O ATOM 480 CB PRO A 32 -9.112 8.887 6.161 1.00 0.70 C ATOM 481 CG PRO A 32 -9.832 7.596 5.772 1.00 0.80 C ATOM 482 CD PRO A 32 -9.544 7.487 4.274 1.00 0.72 C ATOM 0 HA PRO A 32 -7.578 9.913 5.016 1.00 0.58 H new ATOM 0 HB2 PRO A 32 -8.838 8.892 7.216 1.00 0.70 H new ATOM 0 HB3 PRO A 32 -9.738 9.763 5.990 1.00 0.70 H new ATOM 0 HG2 PRO A 32 -9.447 6.737 6.322 1.00 0.80 H new ATOM 0 HG3 PRO A 32 -10.901 7.652 5.975 1.00 0.80 H new ATOM 0 HD2 PRO A 32 -9.520 6.445 3.954 1.00 0.72 H new ATOM 0 HD3 PRO A 32 -10.319 7.982 3.689 1.00 0.72 H new ATOM 490 N GLY A 33 -5.659 9.031 6.301 1.00 0.67 N ATOM 491 CA GLY A 33 -4.493 8.536 7.018 1.00 0.79 C ATOM 492 C GLY A 33 -3.295 8.308 6.102 1.00 0.74 C ATOM 493 O GLY A 33 -2.166 8.591 6.510 1.00 0.73 O ATOM 0 H GLY A 33 -5.631 10.031 6.103 1.00 0.67 H new ATOM 0 HA2 GLY A 33 -4.220 9.248 7.796 1.00 0.79 H new ATOM 0 HA3 GLY A 33 -4.748 7.601 7.517 1.00 0.79 H new ATOM 497 N VAL A 34 -3.504 7.791 4.880 1.00 0.77 N ATOM 498 CA VAL A 34 -2.386 7.608 3.960 1.00 0.70 C ATOM 499 C VAL A 34 -2.166 8.874 3.144 1.00 0.76 C ATOM 500 O VAL A 34 -3.040 9.291 2.390 1.00 1.09 O ATOM 501 CB VAL A 34 -2.573 6.360 3.095 1.00 0.75 C ATOM 502 CG1 VAL A 34 -1.343 6.161 2.196 1.00 0.65 C ATOM 503 CG2 VAL A 34 -2.756 5.161 4.035 1.00 0.75 C ATOM 0 H VAL A 34 -4.413 7.501 4.520 1.00 0.77 H new ATOM 0 HA VAL A 34 -1.477 7.435 4.536 1.00 0.70 H new ATOM 0 HB VAL A 34 -3.446 6.463 2.451 1.00 0.75 H new ATOM 0 HG11 VAL A 34 -1.481 5.271 1.582 1.00 0.65 H new ATOM 0 HG12 VAL A 34 -1.219 7.031 1.551 1.00 0.65 H new ATOM 0 HG13 VAL A 34 -0.455 6.040 2.816 1.00 0.65 H new ATOM 0 HG21 VAL A 34 -2.892 4.254 3.446 1.00 0.75 H new ATOM 0 HG22 VAL A 34 -1.873 5.055 4.666 1.00 0.75 H new ATOM 0 HG23 VAL A 34 -3.633 5.321 4.662 1.00 0.75 H new ATOM 513 N THR A 35 -0.984 9.474 3.284 1.00 0.58 N ATOM 514 CA THR A 35 -0.667 10.728 2.631 1.00 0.62 C ATOM 515 C THR A 35 -0.083 10.465 1.253 1.00 0.68 C ATOM 516 O THR A 35 -0.594 11.015 0.279 1.00 0.91 O ATOM 517 CB THR A 35 0.233 11.563 3.527 1.00 0.63 C ATOM 518 OG1 THR A 35 -0.481 11.816 4.718 1.00 1.39 O ATOM 519 CG2 THR A 35 0.649 12.888 2.884 1.00 1.08 C ATOM 0 H THR A 35 -0.226 9.099 3.854 1.00 0.58 H new ATOM 0 HA THR A 35 -1.573 11.313 2.472 1.00 0.62 H new ATOM 0 HB THR A 35 1.154 11.010 3.712 1.00 0.63 H new ATOM 0 HG1 THR A 35 0.111 12.248 5.369 1.00 1.39 H new ATOM 0 HG21 THR A 35 1.290 13.440 3.571 1.00 1.08 H new ATOM 0 HG22 THR A 35 1.193 12.689 1.960 1.00 1.08 H new ATOM 0 HG23 THR A 35 -0.239 13.480 2.662 1.00 1.08 H new ATOM 527 N ASP A 36 0.956 9.626 1.152 1.00 0.50 N ATOM 528 CA ASP A 36 1.603 9.291 -0.099 1.00 0.45 C ATOM 529 C ASP A 36 1.899 7.793 -0.113 1.00 0.33 C ATOM 530 O ASP A 36 1.828 7.131 0.919 1.00 0.29 O ATOM 531 CB ASP A 36 2.825 10.186 -0.328 1.00 0.57 C ATOM 532 CG ASP A 36 2.419 11.536 -0.913 1.00 1.28 C ATOM 533 OD1 ASP A 36 1.692 11.527 -1.935 1.00 1.87 O ATOM 534 OD2 ASP A 36 2.796 12.563 -0.317 1.00 2.72 O ATOM 0 H ASP A 36 1.369 9.159 1.959 1.00 0.50 H new ATOM 0 HA ASP A 36 0.948 9.490 -0.947 1.00 0.45 H new ATOM 0 HB2 ASP A 36 3.349 10.338 0.615 1.00 0.57 H new ATOM 0 HB3 ASP A 36 3.522 9.689 -1.003 1.00 0.57 H new ATOM 539 N ALA A 37 2.133 7.229 -1.297 1.00 0.34 N ATOM 540 CA ALA A 37 2.299 5.791 -1.468 1.00 0.32 C ATOM 541 C ALA A 37 3.062 5.470 -2.754 1.00 0.35 C ATOM 542 O ALA A 37 2.867 6.131 -3.782 1.00 0.44 O ATOM 543 CB ALA A 37 0.928 5.115 -1.438 1.00 0.40 C ATOM 0 H ALA A 37 2.213 7.759 -2.165 1.00 0.34 H new ATOM 0 HA ALA A 37 2.897 5.400 -0.645 1.00 0.32 H new ATOM 0 HB1 ALA A 37 1.050 4.039 -1.566 1.00 0.40 H new ATOM 0 HB2 ALA A 37 0.445 5.314 -0.481 1.00 0.40 H new ATOM 0 HB3 ALA A 37 0.311 5.509 -2.245 1.00 0.40 H new ATOM 549 N ASN A 38 3.945 4.467 -2.699 1.00 0.29 N ATOM 550 CA ASN A 38 4.957 4.244 -3.717 1.00 0.31 C ATOM 551 C ASN A 38 5.244 2.752 -3.726 1.00 0.27 C ATOM 552 O ASN A 38 5.846 2.226 -2.791 1.00 0.28 O ATOM 553 CB ASN A 38 6.265 5.024 -3.446 1.00 0.35 C ATOM 554 CG ASN A 38 6.326 5.802 -2.132 1.00 0.32 C ATOM 555 OD1 ASN A 38 6.177 5.118 -1.002 1.00 0.43 O flip ATOM 556 ND2 ASN A 38 6.508 7.013 -2.129 1.00 0.33 N flip ATOM 0 H ASN A 38 3.971 3.787 -1.939 1.00 0.29 H new ATOM 0 HA ASN A 38 4.584 4.602 -4.677 1.00 0.31 H new ATOM 0 HB2 ASN A 38 7.095 4.318 -3.465 1.00 0.35 H new ATOM 0 HB3 ASN A 38 6.423 5.724 -4.266 1.00 0.35 H new ATOM 0 HD21 ASN A 38 6.619 7.514 -3.010 1.00 0.33 H new ATOM 0 HD22 ASN A 38 6.548 7.520 -1.245 1.00 0.33 H new ATOM 563 N VAL A 39 4.829 2.072 -4.791 1.00 0.27 N ATOM 564 CA VAL A 39 5.109 0.658 -4.932 1.00 0.22 C ATOM 565 C VAL A 39 6.539 0.514 -5.455 1.00 0.23 C ATOM 566 O VAL A 39 6.946 1.271 -6.335 1.00 0.72 O ATOM 567 CB VAL A 39 4.046 0.017 -5.834 1.00 0.31 C ATOM 568 CG1 VAL A 39 4.154 0.426 -7.311 1.00 0.50 C ATOM 569 CG2 VAL A 39 4.101 -1.503 -5.705 1.00 0.45 C ATOM 0 H VAL A 39 4.301 2.480 -5.562 1.00 0.27 H new ATOM 0 HA VAL A 39 5.053 0.128 -3.981 1.00 0.22 H new ATOM 0 HB VAL A 39 3.084 0.392 -5.486 1.00 0.31 H new ATOM 0 HG11 VAL A 39 3.369 -0.068 -7.884 1.00 0.50 H new ATOM 0 HG12 VAL A 39 4.042 1.507 -7.398 1.00 0.50 H new ATOM 0 HG13 VAL A 39 5.128 0.130 -7.700 1.00 0.50 H new ATOM 0 HG21 VAL A 39 3.343 -1.950 -6.348 1.00 0.45 H new ATOM 0 HG22 VAL A 39 5.087 -1.858 -6.004 1.00 0.45 H new ATOM 0 HG23 VAL A 39 3.912 -1.787 -4.670 1.00 0.45 H new ATOM 579 N ASN A 40 7.318 -0.412 -4.892 1.00 0.41 N ATOM 580 CA ASN A 40 8.720 -0.617 -5.237 1.00 0.33 C ATOM 581 C ASN A 40 8.883 -2.063 -5.704 1.00 0.30 C ATOM 582 O ASN A 40 9.695 -2.846 -5.200 1.00 0.26 O ATOM 583 CB ASN A 40 9.588 -0.268 -4.024 1.00 0.34 C ATOM 584 CG ASN A 40 11.074 -0.252 -4.365 1.00 0.36 C ATOM 585 OD1 ASN A 40 11.466 -0.425 -5.515 1.00 0.50 O ATOM 586 ND2 ASN A 40 11.919 -0.021 -3.364 1.00 0.59 N ATOM 0 H ASN A 40 6.983 -1.050 -4.171 1.00 0.41 H new ATOM 0 HA ASN A 40 9.044 0.033 -6.050 1.00 0.33 H new ATOM 0 HB2 ASN A 40 9.295 0.708 -3.638 1.00 0.34 H new ATOM 0 HB3 ASN A 40 9.407 -0.992 -3.229 1.00 0.34 H new ATOM 0 HD21 ASN A 40 12.923 0.016 -3.542 1.00 0.59 H new ATOM 0 HD22 ASN A 40 11.563 0.119 -2.418 1.00 0.59 H new ATOM 593 N LEU A 41 8.082 -2.395 -6.718 1.00 0.37 N ATOM 594 CA LEU A 41 7.988 -3.732 -7.286 1.00 0.41 C ATOM 595 C LEU A 41 9.285 -4.103 -8.008 1.00 0.47 C ATOM 596 O LEU A 41 9.588 -5.282 -8.162 1.00 0.55 O ATOM 597 CB LEU A 41 6.738 -3.825 -8.183 1.00 0.48 C ATOM 598 CG LEU A 41 5.736 -4.934 -7.811 1.00 0.60 C ATOM 599 CD1 LEU A 41 6.202 -6.303 -8.318 1.00 0.92 C ATOM 600 CD2 LEU A 41 5.412 -5.018 -6.314 1.00 1.04 C ATOM 0 H LEU A 41 7.467 -1.721 -7.175 1.00 0.37 H new ATOM 0 HA LEU A 41 7.867 -4.469 -6.492 1.00 0.41 H new ATOM 0 HB2 LEU A 41 6.220 -2.867 -8.154 1.00 0.48 H new ATOM 0 HB3 LEU A 41 7.061 -3.982 -9.212 1.00 0.48 H new ATOM 0 HG LEU A 41 4.811 -4.650 -8.313 1.00 0.60 H new ATOM 0 HD11 LEU A 41 5.472 -7.062 -8.038 1.00 0.92 H new ATOM 0 HD12 LEU A 41 6.299 -6.275 -9.403 1.00 0.92 H new ATOM 0 HD13 LEU A 41 7.167 -6.546 -7.874 1.00 0.92 H new ATOM 0 HD21 LEU A 41 4.700 -5.825 -6.141 1.00 1.04 H new ATOM 0 HD22 LEU A 41 6.326 -5.215 -5.754 1.00 1.04 H new ATOM 0 HD23 LEU A 41 4.979 -4.074 -5.982 1.00 1.04 H new ATOM 612 N ALA A 42 10.096 -3.099 -8.367 1.00 0.47 N ATOM 613 CA ALA A 42 11.480 -3.278 -8.788 1.00 0.53 C ATOM 614 C ALA A 42 12.239 -4.234 -7.866 1.00 0.54 C ATOM 615 O ALA A 42 13.066 -5.007 -8.341 1.00 0.68 O ATOM 616 CB ALA A 42 12.198 -1.931 -8.793 1.00 0.52 C ATOM 0 H ALA A 42 9.797 -2.124 -8.371 1.00 0.47 H new ATOM 0 HA ALA A 42 11.461 -3.707 -9.790 1.00 0.53 H new ATOM 0 HB1 ALA A 42 13.232 -2.071 -9.108 1.00 0.52 H new ATOM 0 HB2 ALA A 42 11.696 -1.254 -9.484 1.00 0.52 H new ATOM 0 HB3 ALA A 42 12.179 -1.505 -7.790 1.00 0.52 H new ATOM 622 N THR A 43 11.972 -4.168 -6.555 1.00 0.46 N ATOM 623 CA THR A 43 12.508 -5.119 -5.590 1.00 0.58 C ATOM 624 C THR A 43 11.345 -5.752 -4.810 1.00 0.71 C ATOM 625 O THR A 43 11.440 -5.997 -3.612 1.00 1.36 O ATOM 626 CB THR A 43 13.604 -4.441 -4.745 1.00 0.57 C ATOM 627 OG1 THR A 43 14.255 -5.338 -3.868 1.00 0.79 O ATOM 628 CG2 THR A 43 13.097 -3.242 -3.941 1.00 0.57 C ATOM 0 H THR A 43 11.377 -3.451 -6.140 1.00 0.46 H new ATOM 0 HA THR A 43 13.015 -5.954 -6.073 1.00 0.58 H new ATOM 0 HB THR A 43 14.322 -4.082 -5.482 1.00 0.57 H new ATOM 0 HG1 THR A 43 13.588 -5.900 -3.421 1.00 0.79 H new ATOM 0 HG21 THR A 43 13.920 -2.813 -3.370 1.00 0.57 H new ATOM 0 HG22 THR A 43 12.697 -2.490 -4.622 1.00 0.57 H new ATOM 0 HG23 THR A 43 12.312 -3.567 -3.258 1.00 0.57 H new ATOM 636 N GLU A 44 10.238 -6.019 -5.509 1.00 0.35 N ATOM 637 CA GLU A 44 9.089 -6.778 -5.029 1.00 0.36 C ATOM 638 C GLU A 44 8.504 -6.249 -3.707 1.00 0.43 C ATOM 639 O GLU A 44 7.838 -7.000 -2.995 1.00 0.80 O ATOM 640 CB GLU A 44 9.484 -8.261 -4.952 1.00 0.45 C ATOM 641 CG GLU A 44 9.743 -8.822 -6.357 1.00 0.92 C ATOM 642 CD GLU A 44 10.245 -10.256 -6.290 1.00 1.92 C ATOM 643 OE1 GLU A 44 11.474 -10.416 -6.123 1.00 3.25 O ATOM 644 OE2 GLU A 44 9.392 -11.162 -6.397 1.00 2.09 O ATOM 0 H GLU A 44 10.117 -5.695 -6.469 1.00 0.35 H new ATOM 0 HA GLU A 44 8.273 -6.654 -5.741 1.00 0.36 H new ATOM 0 HB2 GLU A 44 10.378 -8.374 -4.338 1.00 0.45 H new ATOM 0 HB3 GLU A 44 8.691 -8.830 -4.467 1.00 0.45 H new ATOM 0 HG2 GLU A 44 8.825 -8.782 -6.943 1.00 0.92 H new ATOM 0 HG3 GLU A 44 10.476 -8.200 -6.871 1.00 0.92 H new ATOM 651 N THR A 45 8.716 -4.966 -3.391 1.00 0.26 N ATOM 652 CA THR A 45 8.333 -4.346 -2.130 1.00 0.24 C ATOM 653 C THR A 45 7.290 -3.253 -2.410 1.00 0.22 C ATOM 654 O THR A 45 7.154 -2.794 -3.543 1.00 0.30 O ATOM 655 CB THR A 45 9.621 -3.787 -1.496 1.00 0.31 C ATOM 656 OG1 THR A 45 10.558 -4.823 -1.291 1.00 0.70 O ATOM 657 CG2 THR A 45 9.406 -3.149 -0.128 1.00 0.55 C ATOM 0 H THR A 45 9.173 -4.316 -4.030 1.00 0.26 H new ATOM 0 HA THR A 45 7.875 -5.052 -1.437 1.00 0.24 H new ATOM 0 HB THR A 45 9.970 -3.031 -2.199 1.00 0.31 H new ATOM 0 HG1 THR A 45 10.923 -5.110 -2.154 1.00 0.70 H new ATOM 0 HG21 THR A 45 10.357 -2.779 0.254 1.00 0.55 H new ATOM 0 HG22 THR A 45 8.704 -2.320 -0.219 1.00 0.55 H new ATOM 0 HG23 THR A 45 9.003 -3.892 0.560 1.00 0.55 H new ATOM 665 N VAL A 46 6.560 -2.807 -1.389 1.00 0.21 N ATOM 666 CA VAL A 46 5.721 -1.615 -1.431 1.00 0.19 C ATOM 667 C VAL A 46 6.127 -0.710 -0.271 1.00 0.19 C ATOM 668 O VAL A 46 6.491 -1.224 0.789 1.00 0.22 O ATOM 669 CB VAL A 46 4.232 -2.005 -1.389 1.00 0.23 C ATOM 670 CG1 VAL A 46 3.903 -3.016 -0.289 1.00 0.26 C ATOM 671 CG2 VAL A 46 3.334 -0.783 -1.177 1.00 0.34 C ATOM 0 H VAL A 46 6.537 -3.280 -0.485 1.00 0.21 H new ATOM 0 HA VAL A 46 5.865 -1.069 -2.363 1.00 0.19 H new ATOM 0 HB VAL A 46 4.039 -2.462 -2.360 1.00 0.23 H new ATOM 0 HG11 VAL A 46 2.838 -3.248 -0.314 1.00 0.26 H new ATOM 0 HG12 VAL A 46 4.477 -3.929 -0.450 1.00 0.26 H new ATOM 0 HG13 VAL A 46 4.159 -2.593 0.682 1.00 0.26 H new ATOM 0 HG21 VAL A 46 2.291 -1.098 -1.153 1.00 0.34 H new ATOM 0 HG22 VAL A 46 3.590 -0.303 -0.233 1.00 0.34 H new ATOM 0 HG23 VAL A 46 3.481 -0.077 -1.994 1.00 0.34 H new ATOM 681 N ASN A 47 6.070 0.616 -0.462 1.00 0.21 N ATOM 682 CA ASN A 47 6.276 1.583 0.602 1.00 0.20 C ATOM 683 C ASN A 47 5.049 2.479 0.649 1.00 0.22 C ATOM 684 O ASN A 47 4.562 2.903 -0.401 1.00 0.30 O ATOM 685 CB ASN A 47 7.538 2.418 0.355 1.00 0.22 C ATOM 686 CG ASN A 47 8.812 1.718 0.809 1.00 0.25 C ATOM 687 OD1 ASN A 47 9.667 1.377 -0.003 1.00 0.33 O ATOM 688 ND2 ASN A 47 8.969 1.536 2.117 1.00 0.28 N ATOM 0 H ASN A 47 5.878 1.041 -1.369 1.00 0.21 H new ATOM 0 HA ASN A 47 6.415 1.067 1.552 1.00 0.20 H new ATOM 0 HB2 ASN A 47 7.614 2.646 -0.708 1.00 0.22 H new ATOM 0 HB3 ASN A 47 7.446 3.369 0.879 1.00 0.22 H new ATOM 0 HD21 ASN A 47 9.820 1.101 2.473 1.00 0.28 H new ATOM 0 HD22 ASN A 47 8.238 1.831 2.764 1.00 0.28 H new ATOM 695 N VAL A 48 4.554 2.777 1.848 1.00 0.21 N ATOM 696 CA VAL A 48 3.316 3.506 2.040 1.00 0.28 C ATOM 697 C VAL A 48 3.598 4.551 3.118 1.00 0.30 C ATOM 698 O VAL A 48 4.123 4.212 4.180 1.00 0.30 O ATOM 699 CB VAL A 48 2.172 2.518 2.333 1.00 0.40 C ATOM 700 CG1 VAL A 48 2.448 1.603 3.535 1.00 1.88 C ATOM 701 CG2 VAL A 48 0.831 3.252 2.448 1.00 1.47 C ATOM 0 H VAL A 48 5.012 2.513 2.720 1.00 0.21 H new ATOM 0 HA VAL A 48 2.973 4.040 1.154 1.00 0.28 H new ATOM 0 HB VAL A 48 2.110 1.845 1.477 1.00 0.40 H new ATOM 0 HG11 VAL A 48 1.601 0.933 3.684 1.00 1.88 H new ATOM 0 HG12 VAL A 48 3.347 1.016 3.346 1.00 1.88 H new ATOM 0 HG13 VAL A 48 2.592 2.210 4.429 1.00 1.88 H new ATOM 0 HG21 VAL A 48 0.039 2.532 2.655 1.00 1.47 H new ATOM 0 HG22 VAL A 48 0.882 3.979 3.259 1.00 1.47 H new ATOM 0 HG23 VAL A 48 0.617 3.768 1.512 1.00 1.47 H new ATOM 711 N ILE A 49 3.354 5.821 2.783 1.00 0.34 N ATOM 712 CA ILE A 49 3.760 6.981 3.554 1.00 0.34 C ATOM 713 C ILE A 49 2.512 7.513 4.262 1.00 0.32 C ATOM 714 O ILE A 49 1.718 8.261 3.678 1.00 0.36 O ATOM 715 CB ILE A 49 4.393 8.053 2.641 1.00 0.43 C ATOM 716 CG1 ILE A 49 5.373 7.492 1.592 1.00 0.56 C ATOM 717 CG2 ILE A 49 5.053 9.147 3.492 1.00 0.46 C ATOM 718 CD1 ILE A 49 6.505 6.655 2.186 1.00 0.43 C ATOM 0 H ILE A 49 2.848 6.070 1.933 1.00 0.34 H new ATOM 0 HA ILE A 49 4.521 6.712 4.287 1.00 0.34 H new ATOM 0 HB ILE A 49 3.576 8.484 2.062 1.00 0.43 H new ATOM 0 HG12 ILE A 49 4.817 6.881 0.881 1.00 0.56 H new ATOM 0 HG13 ILE A 49 5.804 8.322 1.031 1.00 0.56 H new ATOM 0 HG21 ILE A 49 5.497 9.898 2.839 1.00 0.46 H new ATOM 0 HG22 ILE A 49 4.302 9.616 4.127 1.00 0.46 H new ATOM 0 HG23 ILE A 49 5.830 8.704 4.115 1.00 0.46 H new ATOM 0 HD11 ILE A 49 7.151 6.296 1.385 1.00 0.43 H new ATOM 0 HD12 ILE A 49 7.087 7.267 2.875 1.00 0.43 H new ATOM 0 HD13 ILE A 49 6.085 5.804 2.722 1.00 0.43 H new ATOM 730 N TYR A 50 2.306 7.094 5.511 1.00 0.30 N ATOM 731 CA TYR A 50 1.056 7.338 6.216 1.00 0.33 C ATOM 732 C TYR A 50 1.295 7.900 7.599 1.00 0.29 C ATOM 733 O TYR A 50 2.416 7.842 8.100 1.00 0.29 O ATOM 734 CB TYR A 50 0.209 6.067 6.266 1.00 0.35 C ATOM 735 CG TYR A 50 0.747 4.878 7.051 1.00 0.32 C ATOM 736 CD1 TYR A 50 0.618 4.840 8.452 1.00 1.60 C ATOM 737 CD2 TYR A 50 1.152 3.716 6.372 1.00 1.60 C ATOM 738 CE1 TYR A 50 0.927 3.669 9.165 1.00 1.65 C ATOM 739 CE2 TYR A 50 1.362 2.515 7.075 1.00 1.58 C ATOM 740 CZ TYR A 50 1.265 2.497 8.475 1.00 0.47 C ATOM 741 OH TYR A 50 1.450 1.332 9.160 1.00 0.62 O ATOM 0 H TYR A 50 2.998 6.580 6.056 1.00 0.30 H new ATOM 0 HA TYR A 50 0.500 8.092 5.659 1.00 0.33 H new ATOM 0 HB2 TYR A 50 -0.763 6.330 6.683 1.00 0.35 H new ATOM 0 HB3 TYR A 50 0.038 5.740 5.241 1.00 0.35 H new ATOM 0 HD1 TYR A 50 0.279 5.717 8.983 1.00 1.60 H new ATOM 0 HD2 TYR A 50 1.303 3.745 5.303 1.00 1.60 H new ATOM 0 HE1 TYR A 50 0.904 3.672 10.245 1.00 1.65 H new ATOM 0 HE2 TYR A 50 1.598 1.608 6.538 1.00 1.58 H new ATOM 0 HH TYR A 50 1.678 0.616 8.531 1.00 0.62 H new ATOM 751 N ASP A 51 0.235 8.454 8.186 1.00 0.30 N ATOM 752 CA ASP A 51 0.250 8.945 9.561 1.00 0.32 C ATOM 753 C ASP A 51 -0.006 7.781 10.524 1.00 0.28 C ATOM 754 O ASP A 51 -1.136 7.292 10.582 1.00 0.37 O ATOM 755 CB ASP A 51 -0.795 10.052 9.748 1.00 0.48 C ATOM 756 CG ASP A 51 -0.951 10.473 11.208 1.00 1.78 C ATOM 757 OD1 ASP A 51 -0.172 9.985 12.057 1.00 2.89 O ATOM 758 OD2 ASP A 51 -1.858 11.294 11.463 1.00 3.02 O ATOM 0 H ASP A 51 -0.663 8.575 7.717 1.00 0.30 H new ATOM 0 HA ASP A 51 1.229 9.372 9.779 1.00 0.32 H new ATOM 0 HB2 ASP A 51 -0.510 10.919 9.152 1.00 0.48 H new ATOM 0 HB3 ASP A 51 -1.757 9.706 9.369 1.00 0.48 H new ATOM 763 N PRO A 52 1.001 7.330 11.295 1.00 0.34 N ATOM 764 CA PRO A 52 0.858 6.191 12.183 1.00 0.43 C ATOM 765 C PRO A 52 0.038 6.509 13.442 1.00 0.50 C ATOM 766 O PRO A 52 -0.074 5.648 14.313 1.00 0.60 O ATOM 767 CB PRO A 52 2.289 5.770 12.522 1.00 0.58 C ATOM 768 CG PRO A 52 3.024 7.109 12.535 1.00 0.60 C ATOM 769 CD PRO A 52 2.347 7.875 11.398 1.00 0.46 C ATOM 0 HA PRO A 52 0.298 5.389 11.702 1.00 0.43 H new ATOM 0 HB2 PRO A 52 2.347 5.264 13.486 1.00 0.58 H new ATOM 0 HB3 PRO A 52 2.700 5.087 11.778 1.00 0.58 H new ATOM 0 HG2 PRO A 52 2.914 7.622 13.490 1.00 0.60 H new ATOM 0 HG3 PRO A 52 4.093 6.986 12.360 1.00 0.60 H new ATOM 0 HD2 PRO A 52 2.320 8.944 11.609 1.00 0.46 H new ATOM 0 HD3 PRO A 52 2.892 7.748 10.463 1.00 0.46 H new ATOM 777 N ALA A 53 -0.535 7.713 13.565 1.00 0.51 N ATOM 778 CA ALA A 53 -1.547 7.994 14.565 1.00 0.63 C ATOM 779 C ALA A 53 -2.916 7.590 14.022 1.00 0.63 C ATOM 780 O ALA A 53 -3.816 7.284 14.802 1.00 0.77 O ATOM 781 CB ALA A 53 -1.543 9.489 14.883 1.00 0.72 C ATOM 0 H ALA A 53 -0.304 8.510 12.972 1.00 0.51 H new ATOM 0 HA ALA A 53 -1.334 7.430 15.473 1.00 0.63 H new ATOM 0 HB1 ALA A 53 -2.303 9.703 15.635 1.00 0.72 H new ATOM 0 HB2 ALA A 53 -0.564 9.777 15.265 1.00 0.72 H new ATOM 0 HB3 ALA A 53 -1.760 10.054 13.977 1.00 0.72 H new ATOM 787 N GLU A 54 -3.078 7.645 12.693 1.00 0.54 N ATOM 788 CA GLU A 54 -4.358 7.518 12.024 1.00 0.59 C ATOM 789 C GLU A 54 -4.450 6.102 11.446 1.00 0.64 C ATOM 790 O GLU A 54 -5.268 5.288 11.876 1.00 0.81 O ATOM 791 CB GLU A 54 -4.481 8.654 10.989 1.00 0.67 C ATOM 792 CG GLU A 54 -5.920 9.157 10.777 1.00 0.88 C ATOM 793 CD GLU A 54 -6.779 8.257 9.897 1.00 2.84 C ATOM 794 OE1 GLU A 54 -6.269 7.198 9.479 1.00 4.30 O ATOM 795 OE2 GLU A 54 -7.932 8.666 9.639 1.00 3.47 O ATOM 0 H GLU A 54 -2.299 7.782 12.049 1.00 0.54 H new ATOM 0 HA GLU A 54 -5.209 7.632 12.696 1.00 0.59 H new ATOM 0 HB2 GLU A 54 -3.858 9.490 11.307 1.00 0.67 H new ATOM 0 HB3 GLU A 54 -4.085 8.306 10.035 1.00 0.67 H new ATOM 0 HG2 GLU A 54 -6.402 9.261 11.749 1.00 0.88 H new ATOM 0 HG3 GLU A 54 -5.882 10.151 10.332 1.00 0.88 H new ATOM 802 N THR A 55 -3.521 5.786 10.540 1.00 0.59 N ATOM 803 CA THR A 55 -3.184 4.435 10.132 1.00 0.64 C ATOM 804 C THR A 55 -2.138 3.791 11.026 1.00 0.60 C ATOM 805 O THR A 55 -1.788 4.306 12.084 1.00 0.57 O ATOM 806 CB THR A 55 -2.941 4.340 8.612 1.00 0.67 C ATOM 807 OG1 THR A 55 -2.460 5.570 8.136 1.00 0.60 O ATOM 808 CG2 THR A 55 -4.274 4.100 7.920 1.00 0.78 C ATOM 0 H THR A 55 -2.968 6.495 10.058 1.00 0.59 H new ATOM 0 HA THR A 55 -4.056 3.802 10.297 1.00 0.64 H new ATOM 0 HB THR A 55 -2.230 3.538 8.415 1.00 0.67 H new ATOM 0 HG1 THR A 55 -1.492 5.622 8.283 1.00 0.60 H new ATOM 0 HG21 THR A 55 -4.118 4.031 6.843 1.00 0.78 H new ATOM 0 HG22 THR A 55 -4.711 3.170 8.284 1.00 0.78 H new ATOM 0 HG23 THR A 55 -4.950 4.927 8.136 1.00 0.78 H new ATOM 816 N GLY A 56 -1.745 2.579 10.645 1.00 0.73 N ATOM 817 CA GLY A 56 -1.413 1.532 11.580 1.00 0.75 C ATOM 818 C GLY A 56 -2.182 0.327 11.053 1.00 1.11 C ATOM 819 O GLY A 56 -3.355 0.181 11.355 1.00 2.31 O ATOM 0 H GLY A 56 -1.650 2.303 9.668 1.00 0.73 H new ATOM 0 HA2 GLY A 56 -0.340 1.343 11.606 1.00 0.75 H new ATOM 0 HA3 GLY A 56 -1.716 1.789 12.595 1.00 0.75 H new ATOM 823 N THR A 57 -1.487 -0.471 10.242 1.00 0.58 N ATOM 824 CA THR A 57 -1.735 -1.331 9.082 1.00 0.60 C ATOM 825 C THR A 57 -3.157 -1.795 8.804 1.00 0.61 C ATOM 826 O THR A 57 -3.481 -2.088 7.656 1.00 0.58 O ATOM 827 CB THR A 57 -0.832 -2.571 9.236 1.00 0.96 C ATOM 828 OG1 THR A 57 -1.110 -3.242 10.452 1.00 1.28 O ATOM 829 CG2 THR A 57 0.653 -2.191 9.254 1.00 1.10 C ATOM 0 H THR A 57 -0.489 -0.538 10.444 1.00 0.58 H new ATOM 0 HA THR A 57 -1.517 -0.697 8.222 1.00 0.60 H new ATOM 0 HB THR A 57 -1.039 -3.214 8.380 1.00 0.96 H new ATOM 0 HG1 THR A 57 -0.529 -4.027 10.533 1.00 1.28 H new ATOM 0 HG21 THR A 57 1.258 -3.091 9.364 1.00 1.10 H new ATOM 0 HG22 THR A 57 0.912 -1.692 8.320 1.00 1.10 H new ATOM 0 HG23 THR A 57 0.847 -1.520 10.091 1.00 1.10 H new ATOM 837 N ALA A 58 -4.000 -1.813 9.825 1.00 0.79 N ATOM 838 CA ALA A 58 -5.436 -1.922 9.750 1.00 0.79 C ATOM 839 C ALA A 58 -6.014 -1.356 8.459 1.00 0.71 C ATOM 840 O ALA A 58 -6.614 -2.083 7.664 1.00 0.64 O ATOM 841 CB ALA A 58 -5.979 -1.158 10.959 1.00 0.91 C ATOM 0 H ALA A 58 -3.670 -1.747 10.788 1.00 0.79 H new ATOM 0 HA ALA A 58 -5.726 -2.973 9.756 1.00 0.79 H new ATOM 0 HB1 ALA A 58 -7.068 -1.204 10.959 1.00 0.91 H new ATOM 0 HB2 ALA A 58 -5.597 -1.608 11.875 1.00 0.91 H new ATOM 0 HB3 ALA A 58 -5.659 -0.117 10.905 1.00 0.91 H new ATOM 847 N ALA A 59 -5.828 -0.052 8.247 1.00 0.76 N ATOM 848 CA ALA A 59 -6.569 0.588 7.164 1.00 0.75 C ATOM 849 C ALA A 59 -5.957 0.207 5.814 1.00 0.65 C ATOM 850 O ALA A 59 -6.652 0.070 4.809 1.00 0.60 O ATOM 851 CB ALA A 59 -6.756 2.089 7.385 1.00 0.87 C ATOM 0 H ALA A 59 -5.204 0.554 8.780 1.00 0.76 H new ATOM 0 HA ALA A 59 -7.590 0.205 7.158 1.00 0.75 H new ATOM 0 HB1 ALA A 59 -7.313 2.513 6.550 1.00 0.87 H new ATOM 0 HB2 ALA A 59 -7.308 2.255 8.310 1.00 0.87 H new ATOM 0 HB3 ALA A 59 -5.781 2.571 7.453 1.00 0.87 H new ATOM 857 N ILE A 60 -4.638 0.009 5.815 1.00 0.67 N ATOM 858 CA ILE A 60 -3.903 -0.448 4.656 1.00 0.54 C ATOM 859 C ILE A 60 -4.422 -1.807 4.221 1.00 0.46 C ATOM 860 O ILE A 60 -4.744 -1.964 3.053 1.00 0.45 O ATOM 861 CB ILE A 60 -2.388 -0.422 4.942 1.00 0.54 C ATOM 862 CG1 ILE A 60 -1.843 0.956 4.569 1.00 0.59 C ATOM 863 CG2 ILE A 60 -1.587 -1.453 4.139 1.00 0.45 C ATOM 864 CD1 ILE A 60 -2.320 2.057 5.519 1.00 0.83 C ATOM 0 H ILE A 60 -4.052 0.166 6.635 1.00 0.67 H new ATOM 0 HA ILE A 60 -4.062 0.227 3.815 1.00 0.54 H new ATOM 0 HB ILE A 60 -2.273 -0.658 6.000 1.00 0.54 H new ATOM 0 HG12 ILE A 60 -0.753 0.925 4.574 1.00 0.59 H new ATOM 0 HG13 ILE A 60 -2.150 1.201 3.552 1.00 0.59 H new ATOM 0 HG21 ILE A 60 -0.531 -1.373 4.395 1.00 0.45 H new ATOM 0 HG22 ILE A 60 -1.943 -2.455 4.377 1.00 0.45 H new ATOM 0 HG23 ILE A 60 -1.717 -1.265 3.073 1.00 0.45 H new ATOM 0 HD11 ILE A 60 -1.902 3.014 5.206 1.00 0.83 H new ATOM 0 HD12 ILE A 60 -3.408 2.111 5.496 1.00 0.83 H new ATOM 0 HD13 ILE A 60 -1.990 1.831 6.533 1.00 0.83 H new ATOM 876 N GLN A 61 -4.513 -2.787 5.125 1.00 0.45 N ATOM 877 CA GLN A 61 -4.985 -4.117 4.752 1.00 0.38 C ATOM 878 C GLN A 61 -6.414 -4.007 4.193 1.00 0.34 C ATOM 879 O GLN A 61 -6.704 -4.539 3.122 1.00 0.34 O ATOM 880 CB GLN A 61 -4.940 -5.066 5.954 1.00 0.42 C ATOM 881 CG GLN A 61 -3.947 -6.231 5.823 1.00 0.47 C ATOM 882 CD GLN A 61 -2.589 -5.905 6.437 1.00 0.70 C ATOM 883 OE1 GLN A 61 -2.081 -6.650 7.268 1.00 1.17 O ATOM 884 NE2 GLN A 61 -1.991 -4.782 6.055 1.00 0.95 N ATOM 0 H GLN A 61 -4.268 -2.683 6.110 1.00 0.45 H new ATOM 0 HA GLN A 61 -4.331 -4.529 3.984 1.00 0.38 H new ATOM 0 HB2 GLN A 61 -4.686 -4.490 6.844 1.00 0.42 H new ATOM 0 HB3 GLN A 61 -5.938 -5.475 6.113 1.00 0.42 H new ATOM 0 HG2 GLN A 61 -4.361 -7.115 6.309 1.00 0.47 H new ATOM 0 HG3 GLN A 61 -3.817 -6.478 4.769 1.00 0.47 H new ATOM 0 HE21 GLN A 61 -2.434 -4.179 5.362 1.00 0.95 H new ATOM 0 HE22 GLN A 61 -1.089 -4.523 6.455 1.00 0.95 H new ATOM 893 N GLU A 62 -7.292 -3.289 4.907 1.00 0.37 N ATOM 894 CA GLU A 62 -8.647 -2.997 4.448 1.00 0.40 C ATOM 895 C GLU A 62 -8.650 -2.529 2.991 1.00 0.47 C ATOM 896 O GLU A 62 -9.282 -3.126 2.117 1.00 0.51 O ATOM 897 CB GLU A 62 -9.277 -1.932 5.361 1.00 0.47 C ATOM 898 CG GLU A 62 -10.098 -2.553 6.497 1.00 0.73 C ATOM 899 CD GLU A 62 -11.416 -3.132 5.993 1.00 1.59 C ATOM 900 OE1 GLU A 62 -12.091 -2.416 5.220 1.00 2.30 O ATOM 901 OE2 GLU A 62 -11.724 -4.276 6.387 1.00 2.57 O ATOM 0 H GLU A 62 -7.076 -2.895 5.823 1.00 0.37 H new ATOM 0 HA GLU A 62 -9.238 -3.911 4.498 1.00 0.40 H new ATOM 0 HB2 GLU A 62 -8.490 -1.307 5.784 1.00 0.47 H new ATOM 0 HB3 GLU A 62 -9.917 -1.280 4.767 1.00 0.47 H new ATOM 0 HG2 GLU A 62 -9.516 -3.339 6.978 1.00 0.73 H new ATOM 0 HG3 GLU A 62 -10.300 -1.796 7.255 1.00 0.73 H new ATOM 908 N LYS A 63 -7.933 -1.441 2.713 1.00 0.53 N ATOM 909 CA LYS A 63 -7.901 -0.888 1.383 1.00 0.59 C ATOM 910 C LYS A 63 -7.187 -1.808 0.396 1.00 0.55 C ATOM 911 O LYS A 63 -7.598 -1.856 -0.755 1.00 0.68 O ATOM 912 CB LYS A 63 -7.295 0.511 1.430 1.00 0.64 C ATOM 913 CG LYS A 63 -8.391 1.579 1.540 1.00 0.57 C ATOM 914 CD LYS A 63 -9.171 1.850 0.242 1.00 0.79 C ATOM 915 CE LYS A 63 -8.291 2.663 -0.714 1.00 3.06 C ATOM 916 NZ LYS A 63 -9.014 3.170 -1.893 1.00 3.70 N ATOM 0 H LYS A 63 -7.372 -0.934 3.397 1.00 0.53 H new ATOM 0 HA LYS A 63 -8.922 -0.804 1.011 1.00 0.59 H new ATOM 0 HB2 LYS A 63 -6.618 0.590 2.281 1.00 0.64 H new ATOM 0 HB3 LYS A 63 -6.701 0.685 0.533 1.00 0.64 H new ATOM 0 HG2 LYS A 63 -9.097 1.275 2.313 1.00 0.57 H new ATOM 0 HG3 LYS A 63 -7.936 2.512 1.873 1.00 0.57 H new ATOM 0 HD2 LYS A 63 -9.463 0.909 -0.224 1.00 0.79 H new ATOM 0 HD3 LYS A 63 -10.089 2.395 0.462 1.00 0.79 H new ATOM 0 HE2 LYS A 63 -7.861 3.505 -0.172 1.00 3.06 H new ATOM 0 HE3 LYS A 63 -7.460 2.041 -1.047 1.00 3.06 H new ATOM 0 HZ1 LYS A 63 -8.394 3.806 -2.433 1.00 3.70 H new ATOM 0 HZ2 LYS A 63 -9.300 2.371 -2.495 1.00 3.70 H new ATOM 0 HZ3 LYS A 63 -9.860 3.691 -1.584 1.00 3.70 H new ATOM 930 N ILE A 64 -6.149 -2.534 0.810 1.00 0.41 N ATOM 931 CA ILE A 64 -5.442 -3.498 -0.012 1.00 0.33 C ATOM 932 C ILE A 64 -6.477 -4.479 -0.588 1.00 0.36 C ATOM 933 O ILE A 64 -6.573 -4.664 -1.804 1.00 0.42 O ATOM 934 CB ILE A 64 -4.377 -4.183 0.860 1.00 0.26 C ATOM 935 CG1 ILE A 64 -3.058 -3.406 0.805 1.00 0.33 C ATOM 936 CG2 ILE A 64 -4.186 -5.672 0.583 1.00 0.30 C ATOM 937 CD1 ILE A 64 -2.290 -3.650 -0.489 1.00 0.38 C ATOM 0 H ILE A 64 -5.771 -2.461 1.755 1.00 0.41 H new ATOM 0 HA ILE A 64 -4.925 -3.034 -0.852 1.00 0.33 H new ATOM 0 HB ILE A 64 -4.759 -4.154 1.881 1.00 0.26 H new ATOM 0 HG12 ILE A 64 -3.263 -2.340 0.906 1.00 0.33 H new ATOM 0 HG13 ILE A 64 -2.436 -3.693 1.653 1.00 0.33 H new ATOM 0 HG21 ILE A 64 -3.416 -6.069 1.244 1.00 0.30 H new ATOM 0 HG22 ILE A 64 -5.124 -6.198 0.761 1.00 0.30 H new ATOM 0 HG23 ILE A 64 -3.881 -5.813 -0.454 1.00 0.30 H new ATOM 0 HD11 ILE A 64 -1.364 -3.076 -0.476 1.00 0.38 H new ATOM 0 HD12 ILE A 64 -2.058 -4.711 -0.580 1.00 0.38 H new ATOM 0 HD13 ILE A 64 -2.899 -3.338 -1.338 1.00 0.38 H new ATOM 949 N GLU A 65 -7.290 -5.059 0.304 1.00 0.36 N ATOM 950 CA GLU A 65 -8.380 -5.949 -0.064 1.00 0.44 C ATOM 951 C GLU A 65 -9.349 -5.224 -0.996 1.00 0.58 C ATOM 952 O GLU A 65 -9.623 -5.692 -2.097 1.00 0.66 O ATOM 953 CB GLU A 65 -9.100 -6.440 1.200 1.00 0.44 C ATOM 954 CG GLU A 65 -8.257 -7.439 1.998 1.00 0.49 C ATOM 955 CD GLU A 65 -8.280 -8.854 1.430 1.00 0.74 C ATOM 956 OE1 GLU A 65 -8.936 -9.063 0.388 1.00 1.51 O ATOM 957 OE2 GLU A 65 -7.643 -9.712 2.079 1.00 1.54 O ATOM 0 H GLU A 65 -7.202 -4.917 1.310 1.00 0.36 H new ATOM 0 HA GLU A 65 -7.980 -6.815 -0.591 1.00 0.44 H new ATOM 0 HB2 GLU A 65 -9.342 -5.586 1.832 1.00 0.44 H new ATOM 0 HB3 GLU A 65 -10.044 -6.907 0.919 1.00 0.44 H new ATOM 0 HG2 GLU A 65 -7.226 -7.087 2.030 1.00 0.49 H new ATOM 0 HG3 GLU A 65 -8.617 -7.464 3.027 1.00 0.49 H new ATOM 964 N LYS A 66 -9.863 -4.063 -0.578 1.00 0.65 N ATOM 965 CA LYS A 66 -10.858 -3.335 -1.363 1.00 0.81 C ATOM 966 C LYS A 66 -10.360 -2.944 -2.762 1.00 0.87 C ATOM 967 O LYS A 66 -11.150 -2.903 -3.703 1.00 1.01 O ATOM 968 CB LYS A 66 -11.384 -2.118 -0.582 1.00 0.87 C ATOM 969 CG LYS A 66 -12.801 -2.379 -0.059 1.00 0.88 C ATOM 970 CD LYS A 66 -13.819 -2.285 -1.209 1.00 2.21 C ATOM 971 CE LYS A 66 -15.159 -2.903 -0.793 1.00 2.54 C ATOM 972 NZ LYS A 66 -16.151 -2.850 -1.886 1.00 4.13 N ATOM 0 H LYS A 66 -9.605 -3.610 0.299 1.00 0.65 H new ATOM 0 HA LYS A 66 -11.689 -4.021 -1.530 1.00 0.81 H new ATOM 0 HB2 LYS A 66 -10.718 -1.900 0.253 1.00 0.87 H new ATOM 0 HB3 LYS A 66 -11.385 -1.239 -1.227 1.00 0.87 H new ATOM 0 HG2 LYS A 66 -12.851 -3.366 0.400 1.00 0.88 H new ATOM 0 HG3 LYS A 66 -13.049 -1.654 0.716 1.00 0.88 H new ATOM 0 HD2 LYS A 66 -13.965 -1.242 -1.489 1.00 2.21 H new ATOM 0 HD3 LYS A 66 -13.432 -2.800 -2.088 1.00 2.21 H new ATOM 0 HE2 LYS A 66 -15.004 -3.939 -0.493 1.00 2.54 H new ATOM 0 HE3 LYS A 66 -15.548 -2.374 0.077 1.00 2.54 H new ATOM 0 HZ1 LYS A 66 -17.043 -3.277 -1.566 1.00 4.13 H new ATOM 0 HZ2 LYS A 66 -16.318 -1.859 -2.155 1.00 4.13 H new ATOM 0 HZ3 LYS A 66 -15.791 -3.376 -2.708 1.00 4.13 H new ATOM 986 N LEU A 67 -9.069 -2.642 -2.897 1.00 0.78 N ATOM 987 CA LEU A 67 -8.409 -2.366 -4.167 1.00 0.79 C ATOM 988 C LEU A 67 -8.271 -3.639 -5.011 1.00 0.76 C ATOM 989 O LEU A 67 -8.063 -3.546 -6.218 1.00 0.79 O ATOM 990 CB LEU A 67 -7.050 -1.701 -3.912 1.00 0.72 C ATOM 991 CG LEU A 67 -7.196 -0.268 -3.364 1.00 0.87 C ATOM 992 CD1 LEU A 67 -5.899 0.135 -2.662 1.00 0.85 C ATOM 993 CD2 LEU A 67 -7.500 0.737 -4.482 1.00 1.02 C ATOM 0 H LEU A 67 -8.436 -2.582 -2.099 1.00 0.78 H new ATOM 0 HA LEU A 67 -9.026 -1.675 -4.742 1.00 0.79 H new ATOM 0 HB2 LEU A 67 -6.480 -2.303 -3.204 1.00 0.72 H new ATOM 0 HB3 LEU A 67 -6.480 -1.677 -4.841 1.00 0.72 H new ATOM 0 HG LEU A 67 -8.031 -0.256 -2.663 1.00 0.87 H new ATOM 0 HD11 LEU A 67 -5.996 1.148 -2.272 1.00 0.85 H new ATOM 0 HD12 LEU A 67 -5.701 -0.553 -1.840 1.00 0.85 H new ATOM 0 HD13 LEU A 67 -5.074 0.097 -3.373 1.00 0.85 H new ATOM 0 HD21 LEU A 67 -7.596 1.736 -4.057 1.00 1.02 H new ATOM 0 HD22 LEU A 67 -6.688 0.729 -5.209 1.00 1.02 H new ATOM 0 HD23 LEU A 67 -8.432 0.461 -4.975 1.00 1.02 H new ATOM 1005 N GLY A 68 -8.388 -4.815 -4.388 1.00 0.72 N ATOM 1006 CA GLY A 68 -8.384 -6.109 -5.048 1.00 0.73 C ATOM 1007 C GLY A 68 -6.992 -6.728 -5.028 1.00 0.58 C ATOM 1008 O GLY A 68 -6.579 -7.314 -6.026 1.00 0.58 O ATOM 0 H GLY A 68 -8.491 -4.887 -3.376 1.00 0.72 H new ATOM 0 HA2 GLY A 68 -9.090 -6.776 -4.553 1.00 0.73 H new ATOM 0 HA3 GLY A 68 -8.721 -5.997 -6.078 1.00 0.73 H new ATOM 1012 N TYR A 69 -6.265 -6.594 -3.912 1.00 0.49 N ATOM 1013 CA TYR A 69 -4.886 -7.043 -3.796 1.00 0.39 C ATOM 1014 C TYR A 69 -4.641 -7.755 -2.471 1.00 0.32 C ATOM 1015 O TYR A 69 -5.507 -7.770 -1.600 1.00 0.30 O ATOM 1016 CB TYR A 69 -3.973 -5.823 -3.910 1.00 0.35 C ATOM 1017 CG TYR A 69 -3.083 -5.927 -5.115 1.00 0.33 C ATOM 1018 CD1 TYR A 69 -3.630 -5.737 -6.394 1.00 1.87 C ATOM 1019 CD2 TYR A 69 -1.722 -6.234 -4.968 1.00 1.80 C ATOM 1020 CE1 TYR A 69 -2.781 -5.639 -7.502 1.00 1.87 C ATOM 1021 CE2 TYR A 69 -0.873 -6.113 -6.076 1.00 1.82 C ATOM 1022 CZ TYR A 69 -1.396 -5.782 -7.336 1.00 0.44 C ATOM 1023 OH TYR A 69 -0.562 -5.515 -8.374 1.00 0.57 O ATOM 0 H TYR A 69 -6.628 -6.166 -3.060 1.00 0.49 H new ATOM 0 HA TYR A 69 -4.675 -7.756 -4.593 1.00 0.39 H new ATOM 0 HB2 TYR A 69 -4.577 -4.918 -3.976 1.00 0.35 H new ATOM 0 HB3 TYR A 69 -3.364 -5.735 -3.010 1.00 0.35 H new ATOM 0 HD1 TYR A 69 -4.700 -5.667 -6.522 1.00 1.87 H new ATOM 0 HD2 TYR A 69 -1.334 -6.559 -4.014 1.00 1.80 H new ATOM 0 HE1 TYR A 69 -3.192 -5.454 -8.483 1.00 1.87 H new ATOM 0 HE2 TYR A 69 0.188 -6.275 -5.960 1.00 1.82 H new ATOM 0 HH TYR A 69 -1.070 -5.522 -9.212 1.00 0.57 H new ATOM 1033 N HIS A 70 -3.427 -8.290 -2.305 1.00 0.34 N ATOM 1034 CA HIS A 70 -2.934 -8.778 -1.029 1.00 0.34 C ATOM 1035 C HIS A 70 -1.542 -8.201 -0.765 1.00 0.39 C ATOM 1036 O HIS A 70 -0.757 -7.974 -1.688 1.00 0.78 O ATOM 1037 CB HIS A 70 -2.924 -10.315 -1.007 1.00 0.49 C ATOM 1038 CG HIS A 70 -3.997 -10.950 -0.151 1.00 1.30 C ATOM 1039 ND1 HIS A 70 -4.526 -10.452 1.022 1.00 2.03 N ATOM 1040 CD2 HIS A 70 -4.451 -12.234 -0.287 1.00 2.56 C ATOM 1041 CE1 HIS A 70 -5.278 -11.421 1.573 1.00 2.56 C ATOM 1042 NE2 HIS A 70 -5.252 -12.531 0.818 1.00 2.93 N ATOM 0 H HIS A 70 -2.757 -8.394 -3.067 1.00 0.34 H new ATOM 0 HA HIS A 70 -3.599 -8.447 -0.231 1.00 0.34 H new ATOM 0 HB2 HIS A 70 -3.033 -10.679 -2.029 1.00 0.49 H new ATOM 0 HB3 HIS A 70 -1.950 -10.652 -0.651 1.00 0.49 H new ATOM 0 HD2 HIS A 70 -4.229 -12.902 -1.106 1.00 2.56 H new ATOM 0 HE1 HIS A 70 -5.828 -11.320 2.497 1.00 2.56 H new ATOM 0 HE2 HIS A 70 -5.723 -13.415 1.013 1.00 2.93 H new ATOM 1050 N VAL A 71 -1.252 -7.975 0.517 1.00 0.34 N ATOM 1051 CA VAL A 71 0.024 -7.504 1.022 1.00 0.36 C ATOM 1052 C VAL A 71 0.459 -8.495 2.099 1.00 0.43 C ATOM 1053 O VAL A 71 -0.392 -9.146 2.706 1.00 0.55 O ATOM 1054 CB VAL A 71 -0.138 -6.064 1.546 1.00 0.52 C ATOM 1055 CG1 VAL A 71 -0.797 -5.987 2.930 1.00 1.50 C ATOM 1056 CG2 VAL A 71 1.190 -5.307 1.555 1.00 1.18 C ATOM 0 H VAL A 71 -1.936 -8.124 1.259 1.00 0.34 H new ATOM 0 HA VAL A 71 0.795 -7.461 0.253 1.00 0.36 H new ATOM 0 HB VAL A 71 -0.814 -5.581 0.841 1.00 0.52 H new ATOM 0 HG11 VAL A 71 -0.879 -4.944 3.236 1.00 1.50 H new ATOM 0 HG12 VAL A 71 -1.791 -6.431 2.885 1.00 1.50 H new ATOM 0 HG13 VAL A 71 -0.189 -6.531 3.653 1.00 1.50 H new ATOM 0 HG21 VAL A 71 1.030 -4.297 1.931 1.00 1.18 H new ATOM 0 HG22 VAL A 71 1.900 -5.826 2.199 1.00 1.18 H new ATOM 0 HG23 VAL A 71 1.588 -5.258 0.541 1.00 1.18 H new ATOM 1066 N VAL A 72 1.765 -8.627 2.317 1.00 0.49 N ATOM 1067 CA VAL A 72 2.368 -9.536 3.274 1.00 0.58 C ATOM 1068 C VAL A 72 3.343 -8.716 4.117 1.00 0.58 C ATOM 1069 O VAL A 72 3.987 -7.803 3.600 1.00 0.55 O ATOM 1070 CB VAL A 72 3.059 -10.696 2.553 1.00 0.61 C ATOM 1071 CG1 VAL A 72 3.442 -11.808 3.538 1.00 0.74 C ATOM 1072 CG2 VAL A 72 2.184 -11.294 1.441 1.00 0.64 C ATOM 0 H VAL A 72 2.457 -8.078 1.807 1.00 0.49 H new ATOM 0 HA VAL A 72 1.616 -9.988 3.920 1.00 0.58 H new ATOM 0 HB VAL A 72 3.959 -10.280 2.099 1.00 0.61 H new ATOM 0 HG11 VAL A 72 3.931 -12.619 2.999 1.00 0.74 H new ATOM 0 HG12 VAL A 72 4.123 -11.409 4.290 1.00 0.74 H new ATOM 0 HG13 VAL A 72 2.544 -12.187 4.026 1.00 0.74 H new ATOM 0 HG21 VAL A 72 2.718 -12.113 0.959 1.00 0.64 H new ATOM 0 HG22 VAL A 72 1.255 -11.669 1.871 1.00 0.64 H new ATOM 0 HG23 VAL A 72 1.958 -10.525 0.703 1.00 0.64 H new ATOM 1082 N ILE A 73 3.423 -9.003 5.416 1.00 0.70 N ATOM 1083 CA ILE A 73 4.226 -8.242 6.361 1.00 0.79 C ATOM 1084 C ILE A 73 5.370 -9.127 6.859 1.00 0.87 C ATOM 1085 O ILE A 73 5.318 -9.672 7.958 1.00 0.98 O ATOM 1086 CB ILE A 73 3.356 -7.652 7.491 1.00 1.00 C ATOM 1087 CG1 ILE A 73 2.320 -6.648 6.978 1.00 1.24 C ATOM 1088 CG2 ILE A 73 4.215 -6.815 8.437 1.00 1.11 C ATOM 1089 CD1 ILE A 73 1.022 -7.287 6.529 1.00 1.35 C ATOM 0 H ILE A 73 2.923 -9.783 5.843 1.00 0.70 H new ATOM 0 HA ILE A 73 4.669 -7.376 5.869 1.00 0.79 H new ATOM 0 HB ILE A 73 2.884 -8.515 7.961 1.00 1.00 H new ATOM 0 HG12 ILE A 73 2.106 -5.926 7.766 1.00 1.24 H new ATOM 0 HG13 ILE A 73 2.748 -6.092 6.144 1.00 1.24 H new ATOM 0 HG21 ILE A 73 3.589 -6.405 9.230 1.00 1.11 H new ATOM 0 HG22 ILE A 73 4.991 -7.443 8.876 1.00 1.11 H new ATOM 0 HG23 ILE A 73 4.679 -6.000 7.882 1.00 1.11 H new ATOM 0 HD11 ILE A 73 0.338 -6.514 6.179 1.00 1.35 H new ATOM 0 HD12 ILE A 73 1.223 -7.988 5.719 1.00 1.35 H new ATOM 0 HD13 ILE A 73 0.570 -7.820 7.366 1.00 1.35 H new