USER MOD reduce.3.24.130724 H: found=0, std=0, add=724, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 725 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 37 MET CE :methyl 163:sc= -6.37! (180deg=-8.79!) USER MOD Set 1.2: A 85 TYR OH : rot 180:sc= -1.57 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 ASN : amide:sc= -2.53 K(o=-2.5,f=-9.9!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot -28:sc= 0.327 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 23 ASN :FLIP amide:sc= 0.627 F(o=0,f=0.63) USER MOD Single : A 24 GLN : amide:sc= -0.13 K(o=-0.13,f=-0.82) USER MOD Single : A 25 GLN : amide:sc= -0.422 X(o=-0.42,f=-0.42) USER MOD Single : A 28 ASN : amide:sc= -0.666 K(o=-0.67,f=-5.6!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl -131:sc= -0.487 (180deg=-3.24!) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0.16) USER MOD Single : A 48 TYR OH : rot 165:sc= -0.529 USER MOD Single : A 50 ASN : amide:sc= -0.0173 K(o=-0.017,f=-0.89) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 130:sc= -1.16 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 GLN : amide:sc= -2.6 X(o=-2.6,f=-2.7!) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc=-0.00244 X(o=-0.0024,f=0) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.0565 USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 30 N LEU A 3 -9.993 -12.551 -9.865 1.00 0.00 N ATOM 31 CA LEU A 3 -9.821 -12.280 -8.443 1.00 0.00 C ATOM 32 C LEU A 3 -10.751 -13.154 -7.607 1.00 0.00 C ATOM 33 O LEU A 3 -11.962 -12.938 -7.577 1.00 0.00 O ATOM 34 CB LEU A 3 -10.090 -10.802 -8.148 1.00 0.00 C ATOM 35 CG LEU A 3 -8.878 -9.882 -8.294 1.00 0.00 C ATOM 36 CD1 LEU A 3 -9.313 -8.425 -8.325 1.00 0.00 C ATOM 37 CD2 LEU A 3 -7.890 -10.121 -7.161 1.00 0.00 C ATOM 0 HA LEU A 3 -8.791 -12.516 -8.175 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -10.876 -10.451 -8.817 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -10.473 -10.714 -7.131 1.00 0.00 H new ATOM 0 HG LEU A 3 -8.383 -10.111 -9.238 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -8.436 -7.786 -8.429 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -9.983 -8.263 -9.170 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -9.832 -8.180 -7.398 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -7.033 -9.458 -7.280 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -8.375 -9.919 -6.206 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -7.553 -11.157 -7.185 1.00 0.00 H new ATOM 49 N LEU A 4 -10.175 -14.142 -6.930 1.00 0.00 N ATOM 50 CA LEU A 4 -10.951 -15.051 -6.094 1.00 0.00 C ATOM 51 C LEU A 4 -11.526 -14.320 -4.885 1.00 0.00 C ATOM 52 O LEU A 4 -11.086 -13.221 -4.544 1.00 0.00 O ATOM 53 CB LEU A 4 -10.081 -16.221 -5.632 1.00 0.00 C ATOM 54 CG LEU A 4 -10.799 -17.570 -5.554 1.00 0.00 C ATOM 55 CD1 LEU A 4 -10.915 -18.193 -6.936 1.00 0.00 C ATOM 56 CD2 LEU A 4 -10.069 -18.506 -4.604 1.00 0.00 C ATOM 0 H LEU A 4 -9.173 -14.334 -6.944 1.00 0.00 H new ATOM 0 HA LEU A 4 -11.778 -15.437 -6.690 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -9.235 -16.316 -6.312 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -9.674 -15.986 -4.648 1.00 0.00 H new ATOM 0 HG LEU A 4 -11.805 -17.404 -5.168 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -11.428 -19.152 -6.861 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -11.481 -17.528 -7.588 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -9.919 -18.346 -7.351 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -10.593 -19.461 -4.560 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -9.052 -18.666 -4.961 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -10.038 -18.063 -3.609 1.00 0.00 H new ATOM 68 N LYS A 5 -12.510 -14.937 -4.239 1.00 0.00 N ATOM 69 CA LYS A 5 -13.145 -14.344 -3.067 1.00 0.00 C ATOM 70 C LYS A 5 -12.129 -14.124 -1.951 1.00 0.00 C ATOM 71 O LYS A 5 -12.031 -13.032 -1.394 1.00 0.00 O ATOM 72 CB LYS A 5 -14.281 -15.239 -2.571 1.00 0.00 C ATOM 73 CG LYS A 5 -15.479 -14.466 -2.043 1.00 0.00 C ATOM 74 CD LYS A 5 -16.552 -14.309 -3.107 1.00 0.00 C ATOM 75 CE LYS A 5 -17.339 -13.022 -2.919 1.00 0.00 C ATOM 76 NZ LYS A 5 -18.272 -12.770 -4.052 1.00 0.00 N ATOM 0 H LYS A 5 -12.885 -15.847 -4.507 1.00 0.00 H new ATOM 0 HA LYS A 5 -13.554 -13.376 -3.356 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -14.607 -15.884 -3.387 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -13.902 -15.889 -1.782 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -15.895 -14.983 -1.178 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -15.157 -13.482 -1.701 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -16.090 -14.313 -4.094 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -17.231 -15.161 -3.069 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -17.904 -13.075 -1.988 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -16.648 -12.184 -2.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -18.789 -11.883 -3.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -17.731 -12.694 -4.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -18.948 -13.557 -4.126 1.00 0.00 H new ATOM 90 N ALA A 6 -11.376 -15.171 -1.629 1.00 0.00 N ATOM 91 CA ALA A 6 -10.367 -15.092 -0.579 1.00 0.00 C ATOM 92 C ALA A 6 -9.189 -14.228 -1.015 1.00 0.00 C ATOM 93 O ALA A 6 -8.623 -13.482 -0.215 1.00 0.00 O ATOM 94 CB ALA A 6 -9.891 -16.486 -0.200 1.00 0.00 C ATOM 0 H ALA A 6 -11.445 -16.083 -2.080 1.00 0.00 H new ATOM 0 HA ALA A 6 -10.822 -14.626 0.295 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -9.138 -16.413 0.585 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -10.735 -17.073 0.161 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -9.458 -16.973 -1.074 1.00 0.00 H new ATOM 100 N ASN A 7 -8.824 -14.334 -2.288 1.00 0.00 N ATOM 101 CA ASN A 7 -7.713 -13.562 -2.831 1.00 0.00 C ATOM 102 C ASN A 7 -8.013 -12.067 -2.782 1.00 0.00 C ATOM 103 O ASN A 7 -7.187 -11.273 -2.329 1.00 0.00 O ATOM 104 CB ASN A 7 -7.424 -13.989 -4.271 1.00 0.00 C ATOM 105 CG ASN A 7 -6.849 -15.389 -4.356 1.00 0.00 C ATOM 106 OD1 ASN A 7 -7.383 -16.251 -5.054 1.00 0.00 O ATOM 107 ND2 ASN A 7 -5.754 -15.624 -3.640 1.00 0.00 N ATOM 0 H ASN A 7 -9.281 -14.947 -2.963 1.00 0.00 H new ATOM 0 HA ASN A 7 -6.833 -13.758 -2.218 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -8.345 -13.942 -4.852 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -6.725 -13.285 -4.722 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -5.323 -16.548 -3.655 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -5.345 -14.880 -3.075 1.00 0.00 H new ATOM 114 N LYS A 8 -9.198 -11.692 -3.248 1.00 0.00 N ATOM 115 CA LYS A 8 -9.608 -10.292 -3.257 1.00 0.00 C ATOM 116 C LYS A 8 -9.831 -9.782 -1.837 1.00 0.00 C ATOM 117 O LYS A 8 -9.610 -8.607 -1.547 1.00 0.00 O ATOM 118 CB LYS A 8 -10.886 -10.118 -4.079 1.00 0.00 C ATOM 119 CG LYS A 8 -11.361 -8.677 -4.167 1.00 0.00 C ATOM 120 CD LYS A 8 -12.879 -8.591 -4.189 1.00 0.00 C ATOM 121 CE LYS A 8 -13.352 -7.186 -4.524 1.00 0.00 C ATOM 122 NZ LYS A 8 -13.438 -6.326 -3.312 1.00 0.00 N ATOM 0 H LYS A 8 -9.892 -12.337 -3.625 1.00 0.00 H new ATOM 0 HA LYS A 8 -8.808 -9.708 -3.713 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -10.715 -10.498 -5.086 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -11.677 -10.726 -3.639 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -10.976 -8.113 -3.317 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -10.956 -8.214 -5.067 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -13.274 -9.294 -4.923 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -13.276 -8.888 -3.218 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -12.668 -6.734 -5.242 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -14.330 -7.237 -5.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -13.764 -5.376 -3.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -14.110 -6.744 -2.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -12.500 -6.257 -2.868 1.00 0.00 H new ATOM 136 N ASP A 9 -10.269 -10.676 -0.955 1.00 0.00 N ATOM 137 CA ASP A 9 -10.521 -10.316 0.435 1.00 0.00 C ATOM 138 C ASP A 9 -9.222 -9.962 1.150 1.00 0.00 C ATOM 139 O ASP A 9 -9.209 -9.133 2.061 1.00 0.00 O ATOM 140 CB ASP A 9 -11.219 -11.467 1.162 1.00 0.00 C ATOM 141 CG ASP A 9 -12.730 -11.384 1.059 1.00 0.00 C ATOM 142 OD1 ASP A 9 -13.292 -10.328 1.417 1.00 0.00 O ATOM 143 OD2 ASP A 9 -13.350 -12.375 0.621 1.00 0.00 O ATOM 0 H ASP A 9 -10.456 -11.653 -1.179 1.00 0.00 H new ATOM 0 HA ASP A 9 -11.170 -9.440 0.446 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -10.881 -12.415 0.744 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -10.928 -11.459 2.212 1.00 0.00 H new ATOM 148 N LEU A 10 -8.130 -10.593 0.731 1.00 0.00 N ATOM 149 CA LEU A 10 -6.825 -10.345 1.330 1.00 0.00 C ATOM 150 C LEU A 10 -6.330 -8.943 0.988 1.00 0.00 C ATOM 151 O LEU A 10 -5.849 -8.215 1.857 1.00 0.00 O ATOM 152 CB LEU A 10 -5.820 -11.393 0.847 1.00 0.00 C ATOM 153 CG LEU A 10 -5.358 -12.384 1.916 1.00 0.00 C ATOM 154 CD1 LEU A 10 -4.317 -13.335 1.347 1.00 0.00 C ATOM 155 CD2 LEU A 10 -4.805 -11.646 3.124 1.00 0.00 C ATOM 0 H LEU A 10 -8.124 -11.281 -0.022 1.00 0.00 H new ATOM 0 HA LEU A 10 -6.923 -10.418 2.413 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -6.267 -11.951 0.024 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -4.946 -10.879 0.447 1.00 0.00 H new ATOM 0 HG LEU A 10 -6.219 -12.970 2.237 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -4.000 -14.033 2.122 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -4.748 -13.890 0.513 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -3.456 -12.765 0.997 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -4.481 -12.367 3.874 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -3.956 -11.034 2.819 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -5.580 -11.007 3.546 1.00 0.00 H new ATOM 167 N ILE A 11 -6.450 -8.572 -0.283 1.00 0.00 N ATOM 168 CA ILE A 11 -6.015 -7.258 -0.739 1.00 0.00 C ATOM 169 C ILE A 11 -6.937 -6.163 -0.214 1.00 0.00 C ATOM 170 O ILE A 11 -6.492 -5.056 0.090 1.00 0.00 O ATOM 171 CB ILE A 11 -5.968 -7.182 -2.277 1.00 0.00 C ATOM 172 CG1 ILE A 11 -5.191 -8.370 -2.845 1.00 0.00 C ATOM 173 CG2 ILE A 11 -5.343 -5.869 -2.725 1.00 0.00 C ATOM 174 CD1 ILE A 11 -5.104 -8.370 -4.356 1.00 0.00 C ATOM 0 H ILE A 11 -6.845 -9.163 -1.015 1.00 0.00 H new ATOM 0 HA ILE A 11 -5.010 -7.104 -0.346 1.00 0.00 H new ATOM 0 HB ILE A 11 -6.988 -7.224 -2.659 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -4.183 -8.365 -2.431 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.666 -9.295 -2.517 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -5.317 -5.831 -3.814 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -5.936 -5.036 -2.347 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -4.327 -5.798 -2.335 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -4.539 -9.241 -4.688 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -6.108 -8.406 -4.778 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -4.602 -7.463 -4.692 1.00 0.00 H new ATOM 186 N SER A 12 -8.223 -6.479 -0.109 1.00 0.00 N ATOM 187 CA SER A 12 -9.209 -5.521 0.381 1.00 0.00 C ATOM 188 C SER A 12 -8.847 -5.037 1.780 1.00 0.00 C ATOM 189 O SER A 12 -8.940 -3.846 2.079 1.00 0.00 O ATOM 190 CB SER A 12 -10.603 -6.152 0.391 1.00 0.00 C ATOM 191 OG SER A 12 -10.663 -7.243 1.293 1.00 0.00 O ATOM 0 H SER A 12 -8.608 -7.391 -0.356 1.00 0.00 H new ATOM 0 HA SER A 12 -9.211 -4.663 -0.291 1.00 0.00 H new ATOM 0 HB2 SER A 12 -11.343 -5.403 0.672 1.00 0.00 H new ATOM 0 HB3 SER A 12 -10.859 -6.491 -0.613 1.00 0.00 H new ATOM 0 HG SER A 12 -9.773 -7.645 1.380 1.00 0.00 H new ATOM 197 N ALA A 13 -8.429 -5.965 2.634 1.00 0.00 N ATOM 198 CA ALA A 13 -8.050 -5.629 4.001 1.00 0.00 C ATOM 199 C ALA A 13 -6.890 -4.639 4.014 1.00 0.00 C ATOM 200 O ALA A 13 -6.919 -3.643 4.738 1.00 0.00 O ATOM 201 CB ALA A 13 -7.681 -6.888 4.770 1.00 0.00 C ATOM 0 H ALA A 13 -8.344 -6.955 2.404 1.00 0.00 H new ATOM 0 HA ALA A 13 -8.904 -5.159 4.488 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -7.400 -6.623 5.789 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -8.536 -7.564 4.794 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -6.842 -7.381 4.279 1.00 0.00 H new ATOM 207 N GLY A 14 -5.874 -4.919 3.206 1.00 0.00 N ATOM 208 CA GLY A 14 -4.719 -4.043 3.136 1.00 0.00 C ATOM 209 C GLY A 14 -5.049 -2.703 2.506 1.00 0.00 C ATOM 210 O GLY A 14 -4.489 -1.676 2.887 1.00 0.00 O ATOM 0 H GLY A 14 -5.829 -5.737 2.598 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -4.326 -3.883 4.140 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -3.932 -4.529 2.559 1.00 0.00 H new ATOM 214 N LEU A 15 -5.960 -2.715 1.538 1.00 0.00 N ATOM 215 CA LEU A 15 -6.364 -1.493 0.852 1.00 0.00 C ATOM 216 C LEU A 15 -6.912 -0.468 1.841 1.00 0.00 C ATOM 217 O LEU A 15 -6.558 0.709 1.790 1.00 0.00 O ATOM 218 CB LEU A 15 -7.417 -1.809 -0.216 1.00 0.00 C ATOM 219 CG LEU A 15 -7.065 -1.341 -1.628 1.00 0.00 C ATOM 220 CD1 LEU A 15 -8.128 -1.789 -2.618 1.00 0.00 C ATOM 221 CD2 LEU A 15 -6.903 0.171 -1.663 1.00 0.00 C ATOM 0 H LEU A 15 -6.432 -3.558 1.211 1.00 0.00 H new ATOM 0 HA LEU A 15 -5.484 -1.067 0.370 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.580 -2.887 -0.237 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -8.361 -1.350 0.078 1.00 0.00 H new ATOM 0 HG LEU A 15 -6.116 -1.794 -1.916 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -7.861 -1.447 -3.618 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -8.195 -2.877 -2.612 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -9.091 -1.365 -2.335 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -6.653 0.487 -2.676 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -7.836 0.644 -1.356 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -6.105 0.467 -0.983 1.00 0.00 H new ATOM 233 N LYS A 16 -7.777 -0.925 2.740 1.00 0.00 N ATOM 234 CA LYS A 16 -8.373 -0.049 3.742 1.00 0.00 C ATOM 235 C LYS A 16 -7.332 0.397 4.764 1.00 0.00 C ATOM 236 O LYS A 16 -7.389 1.514 5.277 1.00 0.00 O ATOM 237 CB LYS A 16 -9.529 -0.759 4.450 1.00 0.00 C ATOM 238 CG LYS A 16 -9.119 -2.050 5.137 1.00 0.00 C ATOM 239 CD LYS A 16 -10.145 -2.480 6.173 1.00 0.00 C ATOM 240 CE LYS A 16 -9.788 -1.965 7.558 1.00 0.00 C ATOM 241 NZ LYS A 16 -10.454 -2.752 8.632 1.00 0.00 N ATOM 0 H LYS A 16 -8.081 -1.897 2.795 1.00 0.00 H new ATOM 0 HA LYS A 16 -8.757 0.835 3.232 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -9.960 -0.085 5.190 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -10.311 -0.977 3.723 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -9.000 -2.837 4.393 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -8.150 -1.916 5.617 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -11.129 -2.108 5.888 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -10.209 -3.568 6.194 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -8.707 -2.008 7.694 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -10.079 -0.918 7.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -10.185 -2.369 9.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -11.486 -2.691 8.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -10.157 -3.747 8.568 1.00 0.00 H new ATOM 255 N GLU A 17 -6.381 -0.485 5.055 1.00 0.00 N ATOM 256 CA GLU A 17 -5.327 -0.184 6.016 1.00 0.00 C ATOM 257 C GLU A 17 -4.510 1.023 5.564 1.00 0.00 C ATOM 258 O GLU A 17 -4.103 1.851 6.380 1.00 0.00 O ATOM 259 CB GLU A 17 -4.411 -1.395 6.197 1.00 0.00 C ATOM 260 CG GLU A 17 -3.900 -1.564 7.618 1.00 0.00 C ATOM 261 CD GLU A 17 -3.652 -3.015 7.979 1.00 0.00 C ATOM 262 OE1 GLU A 17 -2.983 -3.717 7.192 1.00 0.00 O ATOM 263 OE2 GLU A 17 -4.126 -3.451 9.050 1.00 0.00 O ATOM 0 H GLU A 17 -6.319 -1.414 4.639 1.00 0.00 H new ATOM 0 HA GLU A 17 -5.796 0.053 6.971 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -4.951 -2.295 5.904 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -3.560 -1.300 5.523 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -2.975 -1.000 7.737 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -4.624 -1.139 8.313 1.00 0.00 H new ATOM 270 N PHE A 18 -4.274 1.116 4.259 1.00 0.00 N ATOM 271 CA PHE A 18 -3.506 2.223 3.699 1.00 0.00 C ATOM 272 C PHE A 18 -4.319 3.513 3.719 1.00 0.00 C ATOM 273 O PHE A 18 -3.776 4.598 3.929 1.00 0.00 O ATOM 274 CB PHE A 18 -3.077 1.898 2.268 1.00 0.00 C ATOM 275 CG PHE A 18 -1.691 2.371 1.934 1.00 0.00 C ATOM 276 CD1 PHE A 18 -0.580 1.731 2.460 1.00 0.00 C ATOM 277 CD2 PHE A 18 -1.498 3.456 1.094 1.00 0.00 C ATOM 278 CE1 PHE A 18 0.696 2.164 2.156 1.00 0.00 C ATOM 279 CE2 PHE A 18 -0.225 3.894 0.785 1.00 0.00 C ATOM 280 CZ PHE A 18 0.875 3.247 1.316 1.00 0.00 C ATOM 0 H PHE A 18 -4.603 0.439 3.570 1.00 0.00 H new ATOM 0 HA PHE A 18 -2.617 2.366 4.314 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -3.130 0.820 2.118 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -3.784 2.352 1.574 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -0.713 0.883 3.116 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -2.354 3.965 0.676 1.00 0.00 H new ATOM 0 HE1 PHE A 18 1.553 1.657 2.574 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -0.089 4.741 0.129 1.00 0.00 H new ATOM 0 HZ PHE A 18 1.872 3.587 1.075 1.00 0.00 H new ATOM 290 N SER A 19 -5.624 3.388 3.499 1.00 0.00 N ATOM 291 CA SER A 19 -6.512 4.545 3.490 1.00 0.00 C ATOM 292 C SER A 19 -6.627 5.153 4.884 1.00 0.00 C ATOM 293 O SER A 19 -6.450 6.357 5.064 1.00 0.00 O ATOM 294 CB SER A 19 -7.897 4.146 2.979 1.00 0.00 C ATOM 295 OG SER A 19 -8.468 5.177 2.193 1.00 0.00 O ATOM 0 H SER A 19 -6.090 2.497 3.325 1.00 0.00 H new ATOM 0 HA SER A 19 -6.087 5.293 2.821 1.00 0.00 H new ATOM 0 HB2 SER A 19 -7.821 3.234 2.387 1.00 0.00 H new ATOM 0 HB3 SER A 19 -8.550 3.925 3.824 1.00 0.00 H new ATOM 0 HG SER A 19 -9.352 4.896 1.877 1.00 0.00 H new ATOM 301 N VAL A 20 -6.924 4.311 5.868 1.00 0.00 N ATOM 302 CA VAL A 20 -7.063 4.765 7.247 1.00 0.00 C ATOM 303 C VAL A 20 -5.752 5.341 7.768 1.00 0.00 C ATOM 304 O VAL A 20 -5.727 6.407 8.383 1.00 0.00 O ATOM 305 CB VAL A 20 -7.524 3.619 8.171 1.00 0.00 C ATOM 306 CG1 VAL A 20 -6.422 2.587 8.364 1.00 0.00 C ATOM 307 CG2 VAL A 20 -7.990 4.170 9.511 1.00 0.00 C ATOM 0 H VAL A 20 -7.073 3.311 5.736 1.00 0.00 H new ATOM 0 HA VAL A 20 -7.822 5.547 7.252 1.00 0.00 H new ATOM 0 HB VAL A 20 -8.365 3.118 7.692 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -6.778 1.793 9.020 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -6.147 2.164 7.398 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -5.551 3.065 8.812 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -8.312 3.348 10.150 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -7.169 4.703 9.991 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -8.824 4.854 9.353 1.00 0.00 H new ATOM 317 N LEU A 21 -4.664 4.623 7.515 1.00 0.00 N ATOM 318 CA LEU A 21 -3.341 5.053 7.955 1.00 0.00 C ATOM 319 C LEU A 21 -2.998 6.427 7.388 1.00 0.00 C ATOM 320 O LEU A 21 -2.353 7.240 8.051 1.00 0.00 O ATOM 321 CB LEU A 21 -2.283 4.033 7.528 1.00 0.00 C ATOM 322 CG LEU A 21 -0.964 4.109 8.300 1.00 0.00 C ATOM 323 CD1 LEU A 21 -1.162 3.667 9.741 1.00 0.00 C ATOM 324 CD2 LEU A 21 0.098 3.259 7.620 1.00 0.00 C ATOM 0 H LEU A 21 -4.672 3.739 7.007 1.00 0.00 H new ATOM 0 HA LEU A 21 -3.352 5.122 9.043 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.698 3.032 7.644 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.074 4.171 6.467 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.625 5.145 8.304 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.213 3.728 10.274 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.892 4.317 10.224 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.523 2.639 9.760 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.030 3.324 8.181 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.234 2.221 7.586 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.260 3.622 6.605 1.00 0.00 H new ATOM 336 N LEU A 22 -3.433 6.680 6.158 1.00 0.00 N ATOM 337 CA LEU A 22 -3.172 7.955 5.502 1.00 0.00 C ATOM 338 C LEU A 22 -4.000 9.071 6.134 1.00 0.00 C ATOM 339 O LEU A 22 -3.562 10.218 6.205 1.00 0.00 O ATOM 340 CB LEU A 22 -3.483 7.858 4.008 1.00 0.00 C ATOM 341 CG LEU A 22 -2.466 7.066 3.184 1.00 0.00 C ATOM 342 CD1 LEU A 22 -3.071 6.639 1.856 1.00 0.00 C ATOM 343 CD2 LEU A 22 -1.208 7.891 2.958 1.00 0.00 C ATOM 0 H LEU A 22 -3.968 6.018 5.596 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.116 8.192 5.631 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.464 7.398 3.886 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -3.551 8.867 3.601 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.195 6.169 3.740 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.333 6.077 1.284 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.943 6.011 2.039 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -3.371 7.522 1.292 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.495 7.313 2.370 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.464 8.805 2.422 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.763 8.147 3.920 1.00 0.00 H new ATOM 355 N ASN A 23 -5.198 8.723 6.592 1.00 0.00 N ATOM 356 CA ASN A 23 -6.088 9.693 7.218 1.00 0.00 C ATOM 357 C ASN A 23 -5.475 10.250 8.500 1.00 0.00 C ATOM 358 O ASN A 23 -5.777 11.372 8.907 1.00 0.00 O ATOM 359 CB ASN A 23 -7.442 9.051 7.525 1.00 0.00 C ATOM 360 CG ASN A 23 -8.432 9.216 6.388 1.00 0.00 C ATOM 361 OD1 ASN A 23 -9.158 10.328 6.393 1.00 0.00 O flip ATOM 362 ND2 ASN A 23 -8.543 8.356 5.515 1.00 0.00 N flip ATOM 0 H ASN A 23 -5.575 7.776 6.541 1.00 0.00 H new ATOM 0 HA ASN A 23 -6.233 10.517 6.519 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -7.300 7.990 7.728 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -7.855 9.496 8.430 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -7.965 7.516 5.550 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -9.213 8.483 4.756 1.00 0.00 H new ATOM 369 N GLN A 24 -4.614 9.459 9.133 1.00 0.00 N ATOM 370 CA GLN A 24 -3.960 9.876 10.368 1.00 0.00 C ATOM 371 C GLN A 24 -3.097 11.113 10.138 1.00 0.00 C ATOM 372 O GLN A 24 -2.926 11.938 11.036 1.00 0.00 O ATOM 373 CB GLN A 24 -3.102 8.737 10.923 1.00 0.00 C ATOM 374 CG GLN A 24 -3.130 8.638 12.440 1.00 0.00 C ATOM 375 CD GLN A 24 -2.881 7.228 12.937 1.00 0.00 C ATOM 376 OE1 GLN A 24 -3.366 6.258 12.356 1.00 0.00 O ATOM 377 NE2 GLN A 24 -2.120 7.108 14.019 1.00 0.00 N ATOM 0 H GLN A 24 -4.353 8.527 8.811 1.00 0.00 H new ATOM 0 HA GLN A 24 -4.734 10.127 11.093 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -3.447 7.794 10.499 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -2.072 8.876 10.595 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -2.376 9.305 12.858 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -4.098 8.982 12.805 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -1.738 7.940 14.469 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -1.917 6.184 14.400 1.00 0.00 H new ATOM 386 N GLN A 25 -2.556 11.236 8.931 1.00 0.00 N ATOM 387 CA GLN A 25 -1.712 12.373 8.584 1.00 0.00 C ATOM 388 C GLN A 25 -2.493 13.681 8.680 1.00 0.00 C ATOM 389 O GLN A 25 -3.685 13.727 8.375 1.00 0.00 O ATOM 390 CB GLN A 25 -1.148 12.206 7.172 1.00 0.00 C ATOM 391 CG GLN A 25 0.118 11.367 7.118 1.00 0.00 C ATOM 392 CD GLN A 25 1.207 11.897 8.030 1.00 0.00 C ATOM 393 OE1 GLN A 25 1.699 13.010 7.846 1.00 0.00 O ATOM 394 NE2 GLN A 25 1.589 11.100 9.021 1.00 0.00 N ATOM 0 H GLN A 25 -2.687 10.562 8.177 1.00 0.00 H new ATOM 0 HA GLN A 25 -0.887 12.410 9.295 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -1.906 11.745 6.539 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -0.939 13.191 6.754 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -0.118 10.341 7.399 1.00 0.00 H new ATOM 0 HG3 GLN A 25 0.488 11.340 6.093 1.00 0.00 H new ATOM 0 HE21 GLN A 25 1.154 10.185 9.136 1.00 0.00 H new ATOM 0 HE22 GLN A 25 2.318 11.403 9.667 1.00 0.00 H new ATOM 403 N VAL A 26 -1.813 14.740 9.107 1.00 0.00 N ATOM 404 CA VAL A 26 -2.443 16.047 9.244 1.00 0.00 C ATOM 405 C VAL A 26 -1.928 17.019 8.188 1.00 0.00 C ATOM 406 O VAL A 26 -2.656 17.901 7.734 1.00 0.00 O ATOM 407 CB VAL A 26 -2.195 16.647 10.641 1.00 0.00 C ATOM 408 CG1 VAL A 26 -3.023 17.909 10.836 1.00 0.00 C ATOM 409 CG2 VAL A 26 -2.505 15.625 11.724 1.00 0.00 C ATOM 0 H VAL A 26 -0.826 14.718 9.364 1.00 0.00 H new ATOM 0 HA VAL A 26 -3.514 15.897 9.106 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.142 16.916 10.718 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.834 18.318 11.829 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.747 18.645 10.081 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -4.082 17.668 10.738 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.324 16.067 12.704 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -3.549 15.322 11.650 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.864 14.753 11.595 1.00 0.00 H new ATOM 419 N PHE A 27 -0.667 16.852 7.802 1.00 0.00 N ATOM 420 CA PHE A 27 -0.052 17.715 6.799 1.00 0.00 C ATOM 421 C PHE A 27 -0.030 19.166 7.270 1.00 0.00 C ATOM 422 O PHE A 27 -1.008 19.896 7.110 1.00 0.00 O ATOM 423 CB PHE A 27 -0.808 17.610 5.472 1.00 0.00 C ATOM 424 CG PHE A 27 -1.137 16.198 5.079 1.00 0.00 C ATOM 425 CD1 PHE A 27 -2.324 15.611 5.487 1.00 0.00 C ATOM 426 CD2 PHE A 27 -0.261 15.459 4.301 1.00 0.00 C ATOM 427 CE1 PHE A 27 -2.631 14.312 5.127 1.00 0.00 C ATOM 428 CE2 PHE A 27 -0.562 14.160 3.938 1.00 0.00 C ATOM 429 CZ PHE A 27 -1.748 13.586 4.351 1.00 0.00 C ATOM 0 H PHE A 27 -0.051 16.127 8.169 1.00 0.00 H new ATOM 0 HA PHE A 27 0.976 17.383 6.652 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -1.732 18.183 5.543 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -0.209 18.068 4.685 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -3.017 16.175 6.093 1.00 0.00 H new ATOM 0 HD2 PHE A 27 0.668 15.903 3.974 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -3.559 13.866 5.452 1.00 0.00 H new ATOM 0 HE2 PHE A 27 0.130 13.594 3.332 1.00 0.00 H new ATOM 0 HZ PHE A 27 -1.985 12.571 4.068 1.00 0.00 H new ATOM 439 N ASN A 28 1.093 19.577 7.851 1.00 0.00 N ATOM 440 CA ASN A 28 1.242 20.942 8.344 1.00 0.00 C ATOM 441 C ASN A 28 2.637 21.166 8.923 1.00 0.00 C ATOM 442 O ASN A 28 3.220 22.238 8.762 1.00 0.00 O ATOM 443 CB ASN A 28 0.184 21.241 9.408 1.00 0.00 C ATOM 444 CG ASN A 28 0.165 20.203 10.512 1.00 0.00 C ATOM 445 OD1 ASN A 28 -0.152 19.036 10.278 1.00 0.00 O ATOM 446 ND2 ASN A 28 0.503 20.623 11.725 1.00 0.00 N ATOM 0 H ASN A 28 1.912 18.985 7.992 1.00 0.00 H new ATOM 0 HA ASN A 28 1.105 21.620 7.502 1.00 0.00 H new ATOM 0 HB2 ASN A 28 0.375 22.223 9.840 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -0.798 21.285 8.937 1.00 0.00 H new ATOM 0 HD21 ASN A 28 0.507 19.970 12.508 1.00 0.00 H new ATOM 0 HD22 ASN A 28 0.759 21.599 11.874 1.00 0.00 H new ATOM 453 N ASP A 29 3.163 20.149 9.599 1.00 0.00 N ATOM 454 CA ASP A 29 4.487 20.238 10.204 1.00 0.00 C ATOM 455 C ASP A 29 5.375 19.101 9.776 1.00 0.00 C ATOM 456 O ASP A 29 6.038 18.474 10.604 1.00 0.00 O ATOM 457 CB ASP A 29 4.378 20.283 11.730 1.00 0.00 C ATOM 458 CG ASP A 29 5.587 20.931 12.378 1.00 0.00 C ATOM 459 OD1 ASP A 29 6.653 20.982 11.728 1.00 0.00 O ATOM 460 OD2 ASP A 29 5.466 21.388 13.534 1.00 0.00 O ATOM 0 H ASP A 29 2.693 19.255 9.741 1.00 0.00 H new ATOM 0 HA ASP A 29 4.944 21.163 9.854 1.00 0.00 H new ATOM 0 HB2 ASP A 29 3.480 20.833 12.011 1.00 0.00 H new ATOM 0 HB3 ASP A 29 4.264 19.269 12.113 1.00 0.00 H new ATOM 465 N PRO A 30 5.454 18.834 8.465 1.00 0.00 N ATOM 466 CA PRO A 30 6.324 17.795 7.986 1.00 0.00 C ATOM 467 C PRO A 30 7.748 18.311 7.907 1.00 0.00 C ATOM 468 O PRO A 30 8.044 19.276 7.202 1.00 0.00 O ATOM 469 CB PRO A 30 5.774 17.506 6.592 1.00 0.00 C ATOM 470 CG PRO A 30 5.222 18.814 6.132 1.00 0.00 C ATOM 471 CD PRO A 30 4.756 19.538 7.371 1.00 0.00 C ATOM 0 HA PRO A 30 6.351 16.912 8.625 1.00 0.00 H new ATOM 0 HB2 PRO A 30 6.556 17.147 5.923 1.00 0.00 H new ATOM 0 HB3 PRO A 30 5.002 16.737 6.621 1.00 0.00 H new ATOM 0 HG2 PRO A 30 5.981 19.393 5.606 1.00 0.00 H new ATOM 0 HG3 PRO A 30 4.397 18.664 5.436 1.00 0.00 H new ATOM 0 HD2 PRO A 30 5.020 20.595 7.341 1.00 0.00 H new ATOM 0 HD3 PRO A 30 3.673 19.483 7.485 1.00 0.00 H new ATOM 479 N LEU A 31 8.617 17.654 8.639 1.00 0.00 N ATOM 480 CA LEU A 31 10.029 18.017 8.682 1.00 0.00 C ATOM 481 C LEU A 31 10.837 17.175 7.700 1.00 0.00 C ATOM 482 O LEU A 31 11.851 17.628 7.167 1.00 0.00 O ATOM 483 CB LEU A 31 10.578 17.839 10.099 1.00 0.00 C ATOM 484 CG LEU A 31 10.464 19.070 10.998 1.00 0.00 C ATOM 485 CD1 LEU A 31 11.336 20.199 10.470 1.00 0.00 C ATOM 486 CD2 LEU A 31 9.014 19.520 11.103 1.00 0.00 C ATOM 0 H LEU A 31 8.374 16.854 9.223 1.00 0.00 H new ATOM 0 HA LEU A 31 10.120 19.064 8.393 1.00 0.00 H new ATOM 0 HB2 LEU A 31 10.052 17.011 10.574 1.00 0.00 H new ATOM 0 HB3 LEU A 31 11.628 17.553 10.032 1.00 0.00 H new ATOM 0 HG LEU A 31 10.815 18.802 11.995 1.00 0.00 H new ATOM 0 HD11 LEU A 31 11.242 21.067 11.123 1.00 0.00 H new ATOM 0 HD12 LEU A 31 12.376 19.874 10.445 1.00 0.00 H new ATOM 0 HD13 LEU A 31 11.015 20.466 9.463 1.00 0.00 H new ATOM 0 HD21 LEU A 31 8.951 20.397 11.747 1.00 0.00 H new ATOM 0 HD22 LEU A 31 8.638 19.770 10.111 1.00 0.00 H new ATOM 0 HD23 LEU A 31 8.413 18.715 11.527 1.00 0.00 H new ATOM 498 N VAL A 32 10.384 15.948 7.465 1.00 0.00 N ATOM 499 CA VAL A 32 11.067 15.044 6.548 1.00 0.00 C ATOM 500 C VAL A 32 10.960 15.537 5.109 1.00 0.00 C ATOM 501 O VAL A 32 9.906 16.005 4.679 1.00 0.00 O ATOM 502 CB VAL A 32 10.493 13.618 6.632 1.00 0.00 C ATOM 503 CG1 VAL A 32 11.344 12.649 5.826 1.00 0.00 C ATOM 504 CG2 VAL A 32 10.390 13.168 8.083 1.00 0.00 C ATOM 0 H VAL A 32 9.547 15.557 7.897 1.00 0.00 H new ATOM 0 HA VAL A 32 12.115 15.024 6.847 1.00 0.00 H new ATOM 0 HB VAL A 32 9.490 13.625 6.205 1.00 0.00 H new ATOM 0 HG11 VAL A 32 10.922 11.647 5.898 1.00 0.00 H new ATOM 0 HG12 VAL A 32 11.361 12.961 4.782 1.00 0.00 H new ATOM 0 HG13 VAL A 32 12.361 12.643 6.219 1.00 0.00 H new ATOM 0 HG21 VAL A 32 9.982 12.158 8.123 1.00 0.00 H new ATOM 0 HG22 VAL A 32 11.380 13.178 8.538 1.00 0.00 H new ATOM 0 HG23 VAL A 32 9.733 13.846 8.628 1.00 0.00 H new ATOM 514 N SER A 33 12.059 15.428 4.369 1.00 0.00 N ATOM 515 CA SER A 33 12.090 15.863 2.977 1.00 0.00 C ATOM 516 C SER A 33 11.183 14.991 2.115 1.00 0.00 C ATOM 517 O SER A 33 10.706 13.946 2.556 1.00 0.00 O ATOM 518 CB SER A 33 13.521 15.820 2.438 1.00 0.00 C ATOM 519 OG SER A 33 13.732 16.833 1.470 1.00 0.00 O ATOM 0 H SER A 33 12.940 15.042 4.710 1.00 0.00 H new ATOM 0 HA SER A 33 11.725 16.889 2.935 1.00 0.00 H new ATOM 0 HB2 SER A 33 14.226 15.945 3.260 1.00 0.00 H new ATOM 0 HB3 SER A 33 13.717 14.843 1.996 1.00 0.00 H new ATOM 0 HG SER A 33 14.654 16.785 1.142 1.00 0.00 H new ATOM 525 N GLU A 34 10.950 15.428 0.881 1.00 0.00 N ATOM 526 CA GLU A 34 10.100 14.687 -0.045 1.00 0.00 C ATOM 527 C GLU A 34 10.768 13.384 -0.471 1.00 0.00 C ATOM 528 O GLU A 34 10.094 12.389 -0.740 1.00 0.00 O ATOM 529 CB GLU A 34 9.787 15.539 -1.276 1.00 0.00 C ATOM 530 CG GLU A 34 11.026 16.034 -2.005 1.00 0.00 C ATOM 531 CD GLU A 34 11.404 17.451 -1.616 1.00 0.00 C ATOM 532 OE1 GLU A 34 10.488 18.280 -1.433 1.00 0.00 O ATOM 533 OE2 GLU A 34 12.615 17.730 -1.495 1.00 0.00 O ATOM 0 H GLU A 34 11.338 16.291 0.499 1.00 0.00 H new ATOM 0 HA GLU A 34 9.169 14.447 0.468 1.00 0.00 H new ATOM 0 HB2 GLU A 34 9.179 14.955 -1.966 1.00 0.00 H new ATOM 0 HB3 GLU A 34 9.188 16.397 -0.971 1.00 0.00 H new ATOM 0 HG2 GLU A 34 11.861 15.367 -1.790 1.00 0.00 H new ATOM 0 HG3 GLU A 34 10.852 15.990 -3.080 1.00 0.00 H new ATOM 540 N GLU A 35 12.096 13.396 -0.533 1.00 0.00 N ATOM 541 CA GLU A 35 12.854 12.214 -0.926 1.00 0.00 C ATOM 542 C GLU A 35 12.580 11.051 0.021 1.00 0.00 C ATOM 543 O GLU A 35 12.276 9.941 -0.415 1.00 0.00 O ATOM 544 CB GLU A 35 14.351 12.527 -0.949 1.00 0.00 C ATOM 545 CG GLU A 35 14.843 13.052 -2.289 1.00 0.00 C ATOM 546 CD GLU A 35 16.293 13.491 -2.245 1.00 0.00 C ATOM 547 OE1 GLU A 35 17.147 12.681 -1.825 1.00 0.00 O ATOM 548 OE2 GLU A 35 16.575 14.646 -2.629 1.00 0.00 O ATOM 0 H GLU A 35 12.669 14.211 -0.316 1.00 0.00 H new ATOM 0 HA GLU A 35 12.535 11.925 -1.927 1.00 0.00 H new ATOM 0 HB2 GLU A 35 14.571 13.264 -0.177 1.00 0.00 H new ATOM 0 HB3 GLU A 35 14.906 11.624 -0.696 1.00 0.00 H new ATOM 0 HG2 GLU A 35 14.725 12.276 -3.045 1.00 0.00 H new ATOM 0 HG3 GLU A 35 14.222 13.893 -2.596 1.00 0.00 H new ATOM 555 N ASP A 36 12.689 11.313 1.319 1.00 0.00 N ATOM 556 CA ASP A 36 12.453 10.288 2.328 1.00 0.00 C ATOM 557 C ASP A 36 11.026 9.764 2.254 1.00 0.00 C ATOM 558 O ASP A 36 10.745 8.628 2.637 1.00 0.00 O ATOM 559 CB ASP A 36 12.738 10.839 3.727 1.00 0.00 C ATOM 560 CG ASP A 36 14.160 10.565 4.178 1.00 0.00 C ATOM 561 OD1 ASP A 36 15.096 11.102 3.549 1.00 0.00 O ATOM 562 OD2 ASP A 36 14.337 9.812 5.159 1.00 0.00 O ATOM 0 H ASP A 36 12.939 12.227 1.697 1.00 0.00 H new ATOM 0 HA ASP A 36 13.132 9.459 2.128 1.00 0.00 H new ATOM 0 HB2 ASP A 36 12.558 11.914 3.735 1.00 0.00 H new ATOM 0 HB3 ASP A 36 12.042 10.394 4.438 1.00 0.00 H new ATOM 567 N MET A 37 10.134 10.602 1.759 1.00 0.00 N ATOM 568 CA MET A 37 8.727 10.241 1.626 1.00 0.00 C ATOM 569 C MET A 37 8.545 9.120 0.607 1.00 0.00 C ATOM 570 O MET A 37 7.608 8.328 0.702 1.00 0.00 O ATOM 571 CB MET A 37 7.903 11.461 1.211 1.00 0.00 C ATOM 572 CG MET A 37 6.522 11.506 1.847 1.00 0.00 C ATOM 573 SD MET A 37 6.560 12.108 3.547 1.00 0.00 S ATOM 574 CE MET A 37 7.377 13.687 3.329 1.00 0.00 C ATOM 0 H MET A 37 10.357 11.545 1.439 1.00 0.00 H new ATOM 0 HA MET A 37 8.377 9.886 2.595 1.00 0.00 H new ATOM 0 HB2 MET A 37 8.448 12.366 1.480 1.00 0.00 H new ATOM 0 HB3 MET A 37 7.795 11.465 0.126 1.00 0.00 H new ATOM 0 HG2 MET A 37 5.873 12.149 1.252 1.00 0.00 H new ATOM 0 HG3 MET A 37 6.085 10.508 1.829 1.00 0.00 H new ATOM 0 HE1 MET A 37 7.211 14.307 4.210 1.00 0.00 H new ATOM 0 HE2 MET A 37 8.447 13.528 3.194 1.00 0.00 H new ATOM 0 HE3 MET A 37 6.971 14.189 2.451 1.00 0.00 H new ATOM 584 N VAL A 38 9.444 9.058 -0.368 1.00 0.00 N ATOM 585 CA VAL A 38 9.379 8.034 -1.404 1.00 0.00 C ATOM 586 C VAL A 38 9.805 6.673 -0.862 1.00 0.00 C ATOM 587 O VAL A 38 9.148 5.662 -1.111 1.00 0.00 O ATOM 588 CB VAL A 38 10.267 8.395 -2.608 1.00 0.00 C ATOM 589 CG1 VAL A 38 10.032 7.426 -3.756 1.00 0.00 C ATOM 590 CG2 VAL A 38 10.011 9.828 -3.051 1.00 0.00 C ATOM 0 H VAL A 38 10.227 9.705 -0.463 1.00 0.00 H new ATOM 0 HA VAL A 38 8.340 7.982 -1.731 1.00 0.00 H new ATOM 0 HB VAL A 38 11.310 8.314 -2.302 1.00 0.00 H new ATOM 0 HG11 VAL A 38 10.669 7.698 -4.598 1.00 0.00 H new ATOM 0 HG12 VAL A 38 10.271 6.413 -3.432 1.00 0.00 H new ATOM 0 HG13 VAL A 38 8.987 7.471 -4.062 1.00 0.00 H new ATOM 0 HG21 VAL A 38 10.648 10.065 -3.903 1.00 0.00 H new ATOM 0 HG22 VAL A 38 8.965 9.939 -3.338 1.00 0.00 H new ATOM 0 HG23 VAL A 38 10.236 10.508 -2.230 1.00 0.00 H new ATOM 600 N THR A 39 10.911 6.655 -0.127 1.00 0.00 N ATOM 601 CA THR A 39 11.432 5.418 0.445 1.00 0.00 C ATOM 602 C THR A 39 10.519 4.886 1.546 1.00 0.00 C ATOM 603 O THR A 39 10.218 3.693 1.591 1.00 0.00 O ATOM 604 CB THR A 39 12.840 5.642 1.000 1.00 0.00 C ATOM 605 OG1 THR A 39 13.357 4.446 1.554 1.00 0.00 O ATOM 606 CG2 THR A 39 12.896 6.707 2.074 1.00 0.00 C ATOM 0 H THR A 39 11.465 7.484 0.087 1.00 0.00 H new ATOM 0 HA THR A 39 11.472 4.675 -0.352 1.00 0.00 H new ATOM 0 HB THR A 39 13.437 5.973 0.150 1.00 0.00 H new ATOM 0 HG1 THR A 39 14.258 4.610 1.902 1.00 0.00 H new ATOM 0 HG21 THR A 39 13.922 6.816 2.425 1.00 0.00 H new ATOM 0 HG22 THR A 39 12.550 7.656 1.664 1.00 0.00 H new ATOM 0 HG23 THR A 39 12.257 6.417 2.908 1.00 0.00 H new ATOM 614 N VAL A 40 10.085 5.773 2.436 1.00 0.00 N ATOM 615 CA VAL A 40 9.214 5.383 3.539 1.00 0.00 C ATOM 616 C VAL A 40 7.946 4.703 3.031 1.00 0.00 C ATOM 617 O VAL A 40 7.551 3.649 3.529 1.00 0.00 O ATOM 618 CB VAL A 40 8.839 6.598 4.419 1.00 0.00 C ATOM 619 CG1 VAL A 40 7.780 7.468 3.753 1.00 0.00 C ATOM 620 CG2 VAL A 40 8.374 6.139 5.792 1.00 0.00 C ATOM 0 H VAL A 40 10.322 6.765 2.415 1.00 0.00 H new ATOM 0 HA VAL A 40 9.772 4.672 4.148 1.00 0.00 H new ATOM 0 HB VAL A 40 9.734 7.208 4.541 1.00 0.00 H new ATOM 0 HG11 VAL A 40 7.542 8.312 4.401 1.00 0.00 H new ATOM 0 HG12 VAL A 40 8.159 7.838 2.800 1.00 0.00 H new ATOM 0 HG13 VAL A 40 6.880 6.878 3.581 1.00 0.00 H new ATOM 0 HG21 VAL A 40 8.114 7.007 6.397 1.00 0.00 H new ATOM 0 HG22 VAL A 40 7.500 5.497 5.684 1.00 0.00 H new ATOM 0 HG23 VAL A 40 9.174 5.583 6.280 1.00 0.00 H new ATOM 630 N VAL A 41 7.315 5.313 2.036 1.00 0.00 N ATOM 631 CA VAL A 41 6.094 4.766 1.455 1.00 0.00 C ATOM 632 C VAL A 41 6.381 3.474 0.699 1.00 0.00 C ATOM 633 O VAL A 41 5.571 2.547 0.703 1.00 0.00 O ATOM 634 CB VAL A 41 5.422 5.773 0.500 1.00 0.00 C ATOM 635 CG1 VAL A 41 4.097 5.227 -0.011 1.00 0.00 C ATOM 636 CG2 VAL A 41 5.222 7.112 1.193 1.00 0.00 C ATOM 0 H VAL A 41 7.628 6.187 1.614 1.00 0.00 H new ATOM 0 HA VAL A 41 5.414 4.558 2.281 1.00 0.00 H new ATOM 0 HB VAL A 41 6.079 5.925 -0.357 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.639 5.953 -0.683 1.00 0.00 H new ATOM 0 HG12 VAL A 41 4.271 4.294 -0.548 1.00 0.00 H new ATOM 0 HG13 VAL A 41 3.431 5.042 0.831 1.00 0.00 H new ATOM 0 HG21 VAL A 41 4.747 7.811 0.504 1.00 0.00 H new ATOM 0 HG22 VAL A 41 4.587 6.977 2.069 1.00 0.00 H new ATOM 0 HG23 VAL A 41 6.189 7.509 1.503 1.00 0.00 H new ATOM 646 N GLU A 42 7.540 3.418 0.051 1.00 0.00 N ATOM 647 CA GLU A 42 7.935 2.237 -0.709 1.00 0.00 C ATOM 648 C GLU A 42 8.286 1.084 0.224 1.00 0.00 C ATOM 649 O GLU A 42 7.991 -0.076 -0.067 1.00 0.00 O ATOM 650 CB GLU A 42 9.128 2.561 -1.611 1.00 0.00 C ATOM 651 CG GLU A 42 8.779 3.468 -2.779 1.00 0.00 C ATOM 652 CD GLU A 42 8.633 2.707 -4.083 1.00 0.00 C ATOM 653 OE1 GLU A 42 7.782 1.793 -4.145 1.00 0.00 O ATOM 654 OE2 GLU A 42 9.366 3.026 -5.042 1.00 0.00 O ATOM 0 H GLU A 42 8.222 4.176 0.037 1.00 0.00 H new ATOM 0 HA GLU A 42 7.091 1.935 -1.330 1.00 0.00 H new ATOM 0 HB2 GLU A 42 9.906 3.035 -1.013 1.00 0.00 H new ATOM 0 HB3 GLU A 42 9.545 1.630 -1.996 1.00 0.00 H new ATOM 0 HG2 GLU A 42 7.848 3.992 -2.562 1.00 0.00 H new ATOM 0 HG3 GLU A 42 9.554 4.227 -2.890 1.00 0.00 H new ATOM 661 N ASP A 43 8.916 1.410 1.348 1.00 0.00 N ATOM 662 CA ASP A 43 9.308 0.401 2.326 1.00 0.00 C ATOM 663 C ASP A 43 8.114 -0.020 3.179 1.00 0.00 C ATOM 664 O ASP A 43 8.047 -1.155 3.651 1.00 0.00 O ATOM 665 CB ASP A 43 10.426 0.936 3.223 1.00 0.00 C ATOM 666 CG ASP A 43 11.283 -0.173 3.801 1.00 0.00 C ATOM 667 OD1 ASP A 43 10.905 -0.727 4.854 1.00 0.00 O ATOM 668 OD2 ASP A 43 12.332 -0.486 3.201 1.00 0.00 O ATOM 0 H ASP A 43 9.166 2.365 1.604 1.00 0.00 H new ATOM 0 HA ASP A 43 9.673 -0.472 1.785 1.00 0.00 H new ATOM 0 HB2 ASP A 43 11.055 1.616 2.649 1.00 0.00 H new ATOM 0 HB3 ASP A 43 9.990 1.516 4.036 1.00 0.00 H new ATOM 673 N TRP A 44 7.176 0.901 3.372 1.00 0.00 N ATOM 674 CA TRP A 44 5.985 0.624 4.167 1.00 0.00 C ATOM 675 C TRP A 44 5.200 -0.547 3.584 1.00 0.00 C ATOM 676 O TRP A 44 4.837 -1.481 4.298 1.00 0.00 O ATOM 677 CB TRP A 44 5.094 1.867 4.238 1.00 0.00 C ATOM 678 CG TRP A 44 5.363 2.727 5.436 1.00 0.00 C ATOM 679 CD1 TRP A 44 6.495 2.740 6.200 1.00 0.00 C ATOM 680 CD2 TRP A 44 4.482 3.700 6.006 1.00 0.00 C ATOM 681 NE1 TRP A 44 6.371 3.662 7.211 1.00 0.00 N ATOM 682 CE2 TRP A 44 5.144 4.265 7.113 1.00 0.00 C ATOM 683 CE3 TRP A 44 3.197 4.151 5.689 1.00 0.00 C ATOM 684 CZ2 TRP A 44 4.564 5.255 7.903 1.00 0.00 C ATOM 685 CZ3 TRP A 44 2.624 5.134 6.473 1.00 0.00 C ATOM 686 CH2 TRP A 44 3.306 5.677 7.568 1.00 0.00 C ATOM 0 H TRP A 44 7.217 1.845 2.989 1.00 0.00 H new ATOM 0 HA TRP A 44 6.305 0.356 5.174 1.00 0.00 H new ATOM 0 HB2 TRP A 44 5.238 2.460 3.335 1.00 0.00 H new ATOM 0 HB3 TRP A 44 4.050 1.556 4.251 1.00 0.00 H new ATOM 0 HD1 TRP A 44 7.361 2.117 6.034 1.00 0.00 H new ATOM 0 HE1 TRP A 44 7.077 3.865 7.919 1.00 0.00 H new ATOM 0 HE3 TRP A 44 2.662 3.738 4.846 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 5.088 5.674 8.749 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 1.632 5.490 6.237 1.00 0.00 H new ATOM 0 HH2 TRP A 44 2.830 6.444 8.160 1.00 0.00 H new ATOM 697 N MET A 45 4.942 -0.488 2.282 1.00 0.00 N ATOM 698 CA MET A 45 4.200 -1.543 1.602 1.00 0.00 C ATOM 699 C MET A 45 4.940 -2.874 1.693 1.00 0.00 C ATOM 700 O MET A 45 4.321 -3.935 1.774 1.00 0.00 O ATOM 701 CB MET A 45 3.974 -1.172 0.135 1.00 0.00 C ATOM 702 CG MET A 45 5.247 -0.782 -0.597 1.00 0.00 C ATOM 703 SD MET A 45 5.127 -1.029 -2.380 1.00 0.00 S ATOM 704 CE MET A 45 3.906 0.207 -2.810 1.00 0.00 C ATOM 0 H MET A 45 5.236 0.279 1.677 1.00 0.00 H new ATOM 0 HA MET A 45 3.234 -1.650 2.096 1.00 0.00 H new ATOM 0 HB2 MET A 45 3.514 -2.017 -0.378 1.00 0.00 H new ATOM 0 HB3 MET A 45 3.267 -0.344 0.083 1.00 0.00 H new ATOM 0 HG2 MET A 45 5.472 0.265 -0.394 1.00 0.00 H new ATOM 0 HG3 MET A 45 6.079 -1.369 -0.208 1.00 0.00 H new ATOM 0 HE1 MET A 45 3.135 -0.245 -3.435 1.00 0.00 H new ATOM 0 HE2 MET A 45 3.451 0.601 -1.901 1.00 0.00 H new ATOM 0 HE3 MET A 45 4.387 1.018 -3.357 1.00 0.00 H new ATOM 714 N ASN A 46 6.267 -2.810 1.680 1.00 0.00 N ATOM 715 CA ASN A 46 7.092 -4.009 1.762 1.00 0.00 C ATOM 716 C ASN A 46 6.804 -4.783 3.045 1.00 0.00 C ATOM 717 O ASN A 46 6.908 -6.009 3.078 1.00 0.00 O ATOM 718 CB ASN A 46 8.576 -3.640 1.699 1.00 0.00 C ATOM 719 CG ASN A 46 9.392 -4.652 0.921 1.00 0.00 C ATOM 720 OD1 ASN A 46 9.336 -5.852 1.193 1.00 0.00 O ATOM 721 ND2 ASN A 46 10.155 -4.174 -0.054 1.00 0.00 N ATOM 0 H ASN A 46 6.794 -1.939 1.613 1.00 0.00 H new ATOM 0 HA ASN A 46 6.846 -4.645 0.912 1.00 0.00 H new ATOM 0 HB2 ASN A 46 8.684 -2.659 1.237 1.00 0.00 H new ATOM 0 HB3 ASN A 46 8.971 -3.561 2.712 1.00 0.00 H new ATOM 0 HD21 ASN A 46 10.726 -4.809 -0.613 1.00 0.00 H new ATOM 0 HD22 ASN A 46 10.171 -3.172 -0.245 1.00 0.00 H new ATOM 728 N PHE A 47 6.441 -4.058 4.098 1.00 0.00 N ATOM 729 CA PHE A 47 6.138 -4.678 5.384 1.00 0.00 C ATOM 730 C PHE A 47 4.802 -5.412 5.331 1.00 0.00 C ATOM 731 O PHE A 47 4.684 -6.542 5.803 1.00 0.00 O ATOM 732 CB PHE A 47 6.110 -3.620 6.489 1.00 0.00 C ATOM 733 CG PHE A 47 6.410 -4.170 7.854 1.00 0.00 C ATOM 734 CD1 PHE A 47 7.720 -4.309 8.285 1.00 0.00 C ATOM 735 CD2 PHE A 47 5.384 -4.549 8.705 1.00 0.00 C ATOM 736 CE1 PHE A 47 8.000 -4.815 9.541 1.00 0.00 C ATOM 737 CE2 PHE A 47 5.658 -5.056 9.960 1.00 0.00 C ATOM 738 CZ PHE A 47 6.967 -5.188 10.379 1.00 0.00 C ATOM 0 H PHE A 47 6.349 -3.042 4.087 1.00 0.00 H new ATOM 0 HA PHE A 47 6.922 -5.403 5.605 1.00 0.00 H new ATOM 0 HB2 PHE A 47 6.834 -2.841 6.253 1.00 0.00 H new ATOM 0 HB3 PHE A 47 5.128 -3.148 6.504 1.00 0.00 H new ATOM 0 HD1 PHE A 47 8.531 -4.019 7.633 1.00 0.00 H new ATOM 0 HD2 PHE A 47 4.358 -4.447 8.383 1.00 0.00 H new ATOM 0 HE1 PHE A 47 9.025 -4.918 9.866 1.00 0.00 H new ATOM 0 HE2 PHE A 47 4.849 -5.349 10.613 1.00 0.00 H new ATOM 0 HZ PHE A 47 7.183 -5.582 11.361 1.00 0.00 H new ATOM 748 N TYR A 48 3.796 -4.760 4.754 1.00 0.00 N ATOM 749 CA TYR A 48 2.468 -5.352 4.641 1.00 0.00 C ATOM 750 C TYR A 48 2.491 -6.568 3.720 1.00 0.00 C ATOM 751 O TYR A 48 1.867 -7.588 4.008 1.00 0.00 O ATOM 752 CB TYR A 48 1.471 -4.318 4.114 1.00 0.00 C ATOM 753 CG TYR A 48 1.282 -3.134 5.036 1.00 0.00 C ATOM 754 CD1 TYR A 48 0.414 -3.204 6.119 1.00 0.00 C ATOM 755 CD2 TYR A 48 1.972 -1.947 4.824 1.00 0.00 C ATOM 756 CE1 TYR A 48 0.239 -2.125 6.964 1.00 0.00 C ATOM 757 CE2 TYR A 48 1.802 -0.863 5.663 1.00 0.00 C ATOM 758 CZ TYR A 48 0.935 -0.957 6.731 1.00 0.00 C ATOM 759 OH TYR A 48 0.763 0.120 7.570 1.00 0.00 O ATOM 0 H TYR A 48 3.876 -3.823 4.358 1.00 0.00 H new ATOM 0 HA TYR A 48 2.156 -5.677 5.634 1.00 0.00 H new ATOM 0 HB2 TYR A 48 1.811 -3.960 3.142 1.00 0.00 H new ATOM 0 HB3 TYR A 48 0.507 -4.802 3.956 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -0.133 -4.117 6.303 1.00 0.00 H new ATOM 0 HD2 TYR A 48 2.653 -1.871 3.989 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -0.439 -2.196 7.802 1.00 0.00 H new ATOM 0 HE2 TYR A 48 2.345 0.053 5.483 1.00 0.00 H new ATOM 0 HH TYR A 48 1.484 0.767 7.423 1.00 0.00 H new ATOM 769 N ILE A 49 3.216 -6.451 2.612 1.00 0.00 N ATOM 770 CA ILE A 49 3.321 -7.541 1.650 1.00 0.00 C ATOM 771 C ILE A 49 4.026 -8.746 2.263 1.00 0.00 C ATOM 772 O ILE A 49 3.712 -9.892 1.940 1.00 0.00 O ATOM 773 CB ILE A 49 4.083 -7.102 0.383 1.00 0.00 C ATOM 774 CG1 ILE A 49 3.476 -5.819 -0.186 1.00 0.00 C ATOM 775 CG2 ILE A 49 4.065 -8.211 -0.661 1.00 0.00 C ATOM 776 CD1 ILE A 49 4.497 -4.885 -0.797 1.00 0.00 C ATOM 0 H ILE A 49 3.739 -5.613 2.359 1.00 0.00 H new ATOM 0 HA ILE A 49 2.304 -7.819 1.373 1.00 0.00 H new ATOM 0 HB ILE A 49 5.120 -6.903 0.654 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.737 -6.081 -0.943 1.00 0.00 H new ATOM 0 HG13 ILE A 49 2.946 -5.294 0.609 1.00 0.00 H new ATOM 0 HG21 ILE A 49 4.607 -7.884 -1.548 1.00 0.00 H new ATOM 0 HG22 ILE A 49 4.541 -9.103 -0.253 1.00 0.00 H new ATOM 0 HG23 ILE A 49 3.034 -8.441 -0.930 1.00 0.00 H new ATOM 0 HD11 ILE A 49 3.994 -3.997 -1.180 1.00 0.00 H new ATOM 0 HD12 ILE A 49 5.223 -4.593 -0.038 1.00 0.00 H new ATOM 0 HD13 ILE A 49 5.011 -5.392 -1.614 1.00 0.00 H new ATOM 788 N ASN A 50 4.980 -8.481 3.149 1.00 0.00 N ATOM 789 CA ASN A 50 5.729 -9.544 3.808 1.00 0.00 C ATOM 790 C ASN A 50 4.861 -10.265 4.835 1.00 0.00 C ATOM 791 O ASN A 50 4.943 -11.484 4.986 1.00 0.00 O ATOM 792 CB ASN A 50 6.975 -8.974 4.489 1.00 0.00 C ATOM 793 CG ASN A 50 8.127 -8.785 3.521 1.00 0.00 C ATOM 794 OD1 ASN A 50 7.921 -8.513 2.338 1.00 0.00 O ATOM 795 ND2 ASN A 50 9.349 -8.929 4.020 1.00 0.00 N ATOM 0 H ASN A 50 5.253 -7.538 3.427 1.00 0.00 H new ATOM 0 HA ASN A 50 6.035 -10.262 3.048 1.00 0.00 H new ATOM 0 HB2 ASN A 50 6.729 -8.017 4.948 1.00 0.00 H new ATOM 0 HB3 ASN A 50 7.285 -9.643 5.292 1.00 0.00 H new ATOM 0 HD21 ASN A 50 10.163 -8.814 3.416 1.00 0.00 H new ATOM 0 HD22 ASN A 50 9.474 -9.155 5.007 1.00 0.00 H new ATOM 802 N TYR A 51 4.030 -9.503 5.539 1.00 0.00 N ATOM 803 CA TYR A 51 3.146 -10.068 6.551 1.00 0.00 C ATOM 804 C TYR A 51 1.977 -10.803 5.904 1.00 0.00 C ATOM 805 O TYR A 51 1.596 -11.891 6.338 1.00 0.00 O ATOM 806 CB TYR A 51 2.623 -8.967 7.476 1.00 0.00 C ATOM 807 CG TYR A 51 2.511 -9.392 8.922 1.00 0.00 C ATOM 808 CD1 TYR A 51 3.646 -9.606 9.694 1.00 0.00 C ATOM 809 CD2 TYR A 51 1.269 -9.580 9.516 1.00 0.00 C ATOM 810 CE1 TYR A 51 3.547 -9.996 11.016 1.00 0.00 C ATOM 811 CE2 TYR A 51 1.162 -9.969 10.839 1.00 0.00 C ATOM 812 CZ TYR A 51 2.303 -10.175 11.583 1.00 0.00 C ATOM 813 OH TYR A 51 2.201 -10.561 12.900 1.00 0.00 O ATOM 0 H TYR A 51 3.951 -8.492 5.427 1.00 0.00 H new ATOM 0 HA TYR A 51 3.720 -10.784 7.139 1.00 0.00 H new ATOM 0 HB2 TYR A 51 3.286 -8.104 7.410 1.00 0.00 H new ATOM 0 HB3 TYR A 51 1.643 -8.644 7.124 1.00 0.00 H new ATOM 0 HD1 TYR A 51 4.622 -9.465 9.254 1.00 0.00 H new ATOM 0 HD2 TYR A 51 0.373 -9.420 8.935 1.00 0.00 H new ATOM 0 HE1 TYR A 51 4.439 -10.160 11.602 1.00 0.00 H new ATOM 0 HE2 TYR A 51 0.189 -10.110 11.286 1.00 0.00 H new ATOM 0 HH TYR A 51 1.256 -10.641 13.145 1.00 0.00 H new ATOM 823 N TYR A 52 1.410 -10.202 4.862 1.00 0.00 N ATOM 824 CA TYR A 52 0.284 -10.800 4.154 1.00 0.00 C ATOM 825 C TYR A 52 0.680 -12.133 3.530 1.00 0.00 C ATOM 826 O TYR A 52 -0.084 -13.098 3.565 1.00 0.00 O ATOM 827 CB TYR A 52 -0.227 -9.848 3.072 1.00 0.00 C ATOM 828 CG TYR A 52 -1.251 -8.853 3.573 1.00 0.00 C ATOM 829 CD1 TYR A 52 -2.426 -9.283 4.177 1.00 0.00 C ATOM 830 CD2 TYR A 52 -1.042 -7.487 3.442 1.00 0.00 C ATOM 831 CE1 TYR A 52 -3.364 -8.378 4.636 1.00 0.00 C ATOM 832 CE2 TYR A 52 -1.974 -6.575 3.900 1.00 0.00 C ATOM 833 CZ TYR A 52 -3.134 -7.025 4.495 1.00 0.00 C ATOM 834 OH TYR A 52 -4.065 -6.121 4.951 1.00 0.00 O ATOM 0 H TYR A 52 1.712 -9.302 4.490 1.00 0.00 H new ATOM 0 HA TYR A 52 -0.513 -10.981 4.875 1.00 0.00 H new ATOM 0 HB2 TYR A 52 0.618 -9.305 2.649 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -0.666 -10.433 2.264 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -2.609 -10.341 4.290 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -0.136 -7.131 2.974 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -4.273 -8.728 5.103 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -1.795 -5.515 3.793 1.00 0.00 H new ATOM 0 HH TYR A 52 -3.622 -5.448 5.508 1.00 0.00 H new ATOM 844 N ARG A 53 1.879 -12.180 2.958 1.00 0.00 N ATOM 845 CA ARG A 53 2.377 -13.396 2.325 1.00 0.00 C ATOM 846 C ARG A 53 2.442 -14.547 3.324 1.00 0.00 C ATOM 847 O ARG A 53 2.383 -15.716 2.943 1.00 0.00 O ATOM 848 CB ARG A 53 3.761 -13.151 1.721 1.00 0.00 C ATOM 849 CG ARG A 53 3.995 -13.892 0.414 1.00 0.00 C ATOM 850 CD ARG A 53 4.836 -13.070 -0.549 1.00 0.00 C ATOM 851 NE ARG A 53 6.238 -13.480 -0.538 1.00 0.00 N ATOM 852 CZ ARG A 53 7.105 -13.183 -1.504 1.00 0.00 C ATOM 853 NH1 ARG A 53 6.717 -12.477 -2.560 1.00 0.00 N ATOM 854 NH2 ARG A 53 8.362 -13.594 -1.415 1.00 0.00 N ATOM 0 H ARG A 53 2.523 -11.390 2.920 1.00 0.00 H new ATOM 0 HA ARG A 53 1.683 -13.670 1.530 1.00 0.00 H new ATOM 0 HB2 ARG A 53 3.890 -12.082 1.551 1.00 0.00 H new ATOM 0 HB3 ARG A 53 4.521 -13.453 2.441 1.00 0.00 H new ATOM 0 HG2 ARG A 53 4.493 -14.840 0.616 1.00 0.00 H new ATOM 0 HG3 ARG A 53 3.037 -14.128 -0.048 1.00 0.00 H new ATOM 0 HD2 ARG A 53 4.436 -13.172 -1.558 1.00 0.00 H new ATOM 0 HD3 ARG A 53 4.765 -12.015 -0.283 1.00 0.00 H new ATOM 0 HE ARG A 53 6.572 -14.026 0.256 1.00 0.00 H new ATOM 0 HH11 ARG A 53 5.751 -12.159 -2.634 1.00 0.00 H new ATOM 0 HH12 ARG A 53 7.386 -12.252 -3.297 1.00 0.00 H new ATOM 0 HH21 ARG A 53 8.665 -14.138 -0.607 1.00 0.00 H new ATOM 0 HH22 ARG A 53 9.026 -13.367 -2.155 1.00 0.00 H new ATOM 868 N GLN A 54 2.566 -14.212 4.605 1.00 0.00 N ATOM 869 CA GLN A 54 2.640 -15.221 5.656 1.00 0.00 C ATOM 870 C GLN A 54 1.249 -15.591 6.173 1.00 0.00 C ATOM 871 O GLN A 54 1.121 -16.308 7.165 1.00 0.00 O ATOM 872 CB GLN A 54 3.508 -14.718 6.812 1.00 0.00 C ATOM 873 CG GLN A 54 4.994 -14.961 6.606 1.00 0.00 C ATOM 874 CD GLN A 54 5.735 -15.175 7.912 1.00 0.00 C ATOM 875 OE1 GLN A 54 5.614 -16.225 8.544 1.00 0.00 O ATOM 876 NE2 GLN A 54 6.507 -14.176 8.324 1.00 0.00 N ATOM 0 H GLN A 54 2.617 -13.250 4.940 1.00 0.00 H new ATOM 0 HA GLN A 54 3.092 -16.116 5.227 1.00 0.00 H new ATOM 0 HB2 GLN A 54 3.338 -13.650 6.945 1.00 0.00 H new ATOM 0 HB3 GLN A 54 3.192 -15.208 7.733 1.00 0.00 H new ATOM 0 HG2 GLN A 54 5.131 -15.834 5.967 1.00 0.00 H new ATOM 0 HG3 GLN A 54 5.428 -14.110 6.081 1.00 0.00 H new ATOM 0 HE21 GLN A 54 6.578 -13.324 7.768 1.00 0.00 H new ATOM 0 HE22 GLN A 54 7.029 -14.261 9.196 1.00 0.00 H new ATOM 885 N GLN A 55 0.212 -15.099 5.500 1.00 0.00 N ATOM 886 CA GLN A 55 -1.161 -15.385 5.901 1.00 0.00 C ATOM 887 C GLN A 55 -2.045 -15.631 4.682 1.00 0.00 C ATOM 888 O GLN A 55 -3.185 -15.170 4.625 1.00 0.00 O ATOM 889 CB GLN A 55 -1.723 -14.227 6.729 1.00 0.00 C ATOM 890 CG GLN A 55 -1.403 -14.328 8.212 1.00 0.00 C ATOM 891 CD GLN A 55 -0.024 -13.799 8.548 1.00 0.00 C ATOM 892 OE1 GLN A 55 0.871 -14.558 8.921 1.00 0.00 O ATOM 893 NE2 GLN A 55 0.156 -12.490 8.416 1.00 0.00 N ATOM 0 H GLN A 55 0.297 -14.502 4.677 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.155 -16.289 6.510 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -1.325 -13.289 6.343 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -2.805 -14.191 6.601 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -2.149 -13.772 8.780 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -1.475 -15.370 8.525 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -0.614 -11.898 8.104 1.00 0.00 H new ATOM 0 HE22 GLN A 55 1.064 -12.076 8.627 1.00 0.00 H new ATOM 902 N VAL A 56 -1.510 -16.361 3.708 1.00 0.00 N ATOM 903 CA VAL A 56 -2.250 -16.669 2.488 1.00 0.00 C ATOM 904 C VAL A 56 -2.618 -18.149 2.434 1.00 0.00 C ATOM 905 O VAL A 56 -2.211 -18.931 3.292 1.00 0.00 O ATOM 906 CB VAL A 56 -1.450 -16.302 1.215 1.00 0.00 C ATOM 907 CG1 VAL A 56 -2.241 -15.334 0.347 1.00 0.00 C ATOM 908 CG2 VAL A 56 -0.090 -15.715 1.568 1.00 0.00 C ATOM 0 H VAL A 56 -0.568 -16.750 3.739 1.00 0.00 H new ATOM 0 HA VAL A 56 -3.157 -16.065 2.514 1.00 0.00 H new ATOM 0 HB VAL A 56 -1.282 -17.219 0.649 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -1.662 -15.088 -0.543 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -3.183 -15.797 0.051 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -2.445 -14.424 0.910 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.448 -15.467 0.653 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.227 -14.813 2.164 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.484 -16.444 2.140 1.00 0.00 H new ATOM 918 N THR A 57 -3.382 -18.525 1.413 1.00 0.00 N ATOM 919 CA THR A 57 -3.801 -19.903 1.232 1.00 0.00 C ATOM 920 C THR A 57 -4.383 -20.097 -0.160 1.00 0.00 C ATOM 921 O THR A 57 -5.029 -19.207 -0.712 1.00 0.00 O ATOM 922 CB THR A 57 -4.836 -20.306 2.280 1.00 0.00 C ATOM 923 OG1 THR A 57 -5.749 -19.248 2.519 1.00 0.00 O ATOM 924 CG2 THR A 57 -4.228 -20.701 3.608 1.00 0.00 C ATOM 0 H THR A 57 -3.724 -17.886 0.695 1.00 0.00 H new ATOM 0 HA THR A 57 -2.923 -20.538 1.350 1.00 0.00 H new ATOM 0 HB THR A 57 -5.342 -21.176 1.862 1.00 0.00 H new ATOM 0 HG1 THR A 57 -6.404 -19.527 3.192 1.00 0.00 H new ATOM 0 HG21 THR A 57 -5.021 -20.975 4.304 1.00 0.00 H new ATOM 0 HG22 THR A 57 -3.561 -21.551 3.464 1.00 0.00 H new ATOM 0 HG23 THR A 57 -3.663 -19.862 4.014 1.00 0.00 H new ATOM 932 N GLY A 58 -4.139 -21.267 -0.717 1.00 0.00 N ATOM 933 CA GLY A 58 -4.630 -21.583 -2.043 1.00 0.00 C ATOM 934 C GLY A 58 -3.601 -22.317 -2.873 1.00 0.00 C ATOM 935 O GLY A 58 -3.020 -23.307 -2.430 1.00 0.00 O ATOM 0 H GLY A 58 -3.604 -22.013 -0.272 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -5.529 -22.193 -1.960 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -4.915 -20.662 -2.552 1.00 0.00 H new ATOM 939 N GLU A 59 -3.377 -21.822 -4.078 1.00 0.00 N ATOM 940 CA GLU A 59 -2.409 -22.421 -4.988 1.00 0.00 C ATOM 941 C GLU A 59 -1.197 -21.509 -5.156 1.00 0.00 C ATOM 942 O GLU A 59 -1.296 -20.296 -4.974 1.00 0.00 O ATOM 943 CB GLU A 59 -3.056 -22.689 -6.348 1.00 0.00 C ATOM 944 CG GLU A 59 -4.354 -23.475 -6.261 1.00 0.00 C ATOM 945 CD GLU A 59 -4.439 -24.579 -7.297 1.00 0.00 C ATOM 946 OE1 GLU A 59 -3.755 -25.609 -7.124 1.00 0.00 O ATOM 947 OE2 GLU A 59 -5.191 -24.412 -8.280 1.00 0.00 O ATOM 0 H GLU A 59 -3.854 -21.002 -4.453 1.00 0.00 H new ATOM 0 HA GLU A 59 -2.076 -23.368 -4.562 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -3.250 -21.737 -6.842 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -2.351 -23.236 -6.975 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -4.445 -23.909 -5.265 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -5.196 -22.795 -6.391 1.00 0.00 H new ATOM 954 N PRO A 60 -0.033 -22.078 -5.510 1.00 0.00 N ATOM 955 CA PRO A 60 1.196 -21.306 -5.704 1.00 0.00 C ATOM 956 C PRO A 60 0.984 -20.123 -6.642 1.00 0.00 C ATOM 957 O PRO A 60 1.439 -19.012 -6.369 1.00 0.00 O ATOM 958 CB PRO A 60 2.178 -22.316 -6.320 1.00 0.00 C ATOM 959 CG PRO A 60 1.354 -23.507 -6.690 1.00 0.00 C ATOM 960 CD PRO A 60 0.182 -23.510 -5.754 1.00 0.00 C ATOM 0 HA PRO A 60 1.555 -20.874 -4.770 1.00 0.00 H new ATOM 0 HB2 PRO A 60 2.674 -21.896 -7.195 1.00 0.00 H new ATOM 0 HB3 PRO A 60 2.959 -22.586 -5.609 1.00 0.00 H new ATOM 0 HG2 PRO A 60 1.024 -23.446 -7.727 1.00 0.00 H new ATOM 0 HG3 PRO A 60 1.932 -24.426 -6.593 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -0.693 -23.981 -6.201 1.00 0.00 H new ATOM 0 HD3 PRO A 60 0.400 -24.051 -4.833 1.00 0.00 H new ATOM 968 N GLN A 61 0.288 -20.368 -7.746 1.00 0.00 N ATOM 969 CA GLN A 61 0.011 -19.323 -8.723 1.00 0.00 C ATOM 970 C GLN A 61 -1.075 -18.378 -8.220 1.00 0.00 C ATOM 971 O GLN A 61 -1.055 -17.183 -8.515 1.00 0.00 O ATOM 972 CB GLN A 61 -0.411 -19.941 -10.058 1.00 0.00 C ATOM 973 CG GLN A 61 0.095 -19.175 -11.269 1.00 0.00 C ATOM 974 CD GLN A 61 -0.260 -19.853 -12.578 1.00 0.00 C ATOM 975 OE1 GLN A 61 -0.596 -21.038 -12.605 1.00 0.00 O ATOM 976 NE2 GLN A 61 -0.186 -19.104 -13.672 1.00 0.00 N ATOM 0 H GLN A 61 -0.095 -21.282 -7.987 1.00 0.00 H new ATOM 0 HA GLN A 61 0.926 -18.748 -8.870 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -0.043 -20.966 -10.107 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -1.499 -19.991 -10.098 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -0.325 -18.169 -11.260 1.00 0.00 H new ATOM 0 HG3 GLN A 61 1.178 -19.069 -11.201 1.00 0.00 H new ATOM 0 HE21 GLN A 61 0.097 -18.127 -13.603 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -0.412 -19.506 -14.582 1.00 0.00 H new ATOM 985 N GLU A 62 -2.023 -18.919 -7.461 1.00 0.00 N ATOM 986 CA GLU A 62 -3.114 -18.116 -6.922 1.00 0.00 C ATOM 987 C GLU A 62 -2.584 -17.079 -5.938 1.00 0.00 C ATOM 988 O GLU A 62 -2.895 -15.894 -6.044 1.00 0.00 O ATOM 989 CB GLU A 62 -4.146 -19.014 -6.235 1.00 0.00 C ATOM 990 CG GLU A 62 -5.388 -19.265 -7.075 1.00 0.00 C ATOM 991 CD GLU A 62 -6.660 -19.259 -6.250 1.00 0.00 C ATOM 992 OE1 GLU A 62 -6.575 -19.488 -5.025 1.00 0.00 O ATOM 993 OE2 GLU A 62 -7.743 -19.026 -6.829 1.00 0.00 O ATOM 0 H GLU A 62 -2.058 -19.906 -7.206 1.00 0.00 H new ATOM 0 HA GLU A 62 -3.595 -17.594 -7.749 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -3.681 -19.970 -5.994 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -4.442 -18.557 -5.291 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -5.458 -18.502 -7.850 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -5.292 -20.226 -7.581 1.00 0.00 H new ATOM 1000 N ARG A 63 -1.774 -17.534 -4.987 1.00 0.00 N ATOM 1001 CA ARG A 63 -1.195 -16.647 -3.993 1.00 0.00 C ATOM 1002 C ARG A 63 -0.331 -15.584 -4.661 1.00 0.00 C ATOM 1003 O ARG A 63 -0.281 -14.438 -4.213 1.00 0.00 O ATOM 1004 CB ARG A 63 -0.363 -17.453 -2.998 1.00 0.00 C ATOM 1005 CG ARG A 63 0.840 -18.140 -3.624 1.00 0.00 C ATOM 1006 CD ARG A 63 1.733 -18.771 -2.568 1.00 0.00 C ATOM 1007 NE ARG A 63 1.007 -19.723 -1.733 1.00 0.00 N ATOM 1008 CZ ARG A 63 1.588 -20.522 -0.841 1.00 0.00 C ATOM 1009 NH1 ARG A 63 2.903 -20.487 -0.666 1.00 0.00 N ATOM 1010 NH2 ARG A 63 0.852 -21.360 -0.122 1.00 0.00 N ATOM 0 H ARG A 63 -1.506 -18.513 -4.887 1.00 0.00 H new ATOM 0 HA ARG A 63 -2.003 -16.147 -3.459 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -0.019 -16.790 -2.204 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -0.999 -18.206 -2.532 1.00 0.00 H new ATOM 0 HG2 ARG A 63 0.501 -18.907 -4.321 1.00 0.00 H new ATOM 0 HG3 ARG A 63 1.414 -17.416 -4.202 1.00 0.00 H new ATOM 0 HD2 ARG A 63 2.566 -19.278 -3.054 1.00 0.00 H new ATOM 0 HD3 ARG A 63 2.159 -17.989 -1.939 1.00 0.00 H new ATOM 0 HE ARG A 63 -0.006 -19.779 -1.839 1.00 0.00 H new ATOM 0 HH11 ARG A 63 3.474 -19.846 -1.216 1.00 0.00 H new ATOM 0 HH12 ARG A 63 3.343 -21.102 0.019 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -0.159 -21.392 -0.253 1.00 0.00 H new ATOM 0 HH22 ARG A 63 1.297 -21.972 0.562 1.00 0.00 H new ATOM 1024 N ASP A 64 0.346 -15.971 -5.738 1.00 0.00 N ATOM 1025 CA ASP A 64 1.206 -15.053 -6.472 1.00 0.00 C ATOM 1026 C ASP A 64 0.375 -14.027 -7.238 1.00 0.00 C ATOM 1027 O ASP A 64 0.768 -12.867 -7.366 1.00 0.00 O ATOM 1028 CB ASP A 64 2.102 -15.826 -7.441 1.00 0.00 C ATOM 1029 CG ASP A 64 3.480 -15.209 -7.573 1.00 0.00 C ATOM 1030 OD1 ASP A 64 4.375 -15.585 -6.788 1.00 0.00 O ATOM 1031 OD2 ASP A 64 3.664 -14.350 -8.460 1.00 0.00 O ATOM 0 H ASP A 64 0.315 -16.916 -6.121 1.00 0.00 H new ATOM 0 HA ASP A 64 1.832 -14.525 -5.753 1.00 0.00 H new ATOM 0 HB2 ASP A 64 2.200 -16.856 -7.098 1.00 0.00 H new ATOM 0 HB3 ASP A 64 1.627 -15.860 -8.422 1.00 0.00 H new ATOM 1036 N LYS A 65 -0.772 -14.464 -7.747 1.00 0.00 N ATOM 1037 CA LYS A 65 -1.656 -13.585 -8.503 1.00 0.00 C ATOM 1038 C LYS A 65 -2.326 -12.563 -7.589 1.00 0.00 C ATOM 1039 O LYS A 65 -2.527 -11.411 -7.973 1.00 0.00 O ATOM 1040 CB LYS A 65 -2.720 -14.406 -9.235 1.00 0.00 C ATOM 1041 CG LYS A 65 -2.996 -13.921 -10.648 1.00 0.00 C ATOM 1042 CD LYS A 65 -4.226 -13.029 -10.701 1.00 0.00 C ATOM 1043 CE LYS A 65 -3.846 -11.556 -10.696 1.00 0.00 C ATOM 1044 NZ LYS A 65 -3.749 -11.003 -12.074 1.00 0.00 N ATOM 0 H LYS A 65 -1.111 -15.421 -7.650 1.00 0.00 H new ATOM 0 HA LYS A 65 -1.052 -13.048 -9.234 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -2.401 -15.448 -9.273 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -3.647 -14.377 -8.662 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -2.131 -13.372 -11.021 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -3.138 -14.778 -11.307 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -4.802 -13.254 -11.599 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -4.869 -13.243 -9.847 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -4.587 -10.992 -10.130 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -2.891 -11.429 -10.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -3.488 -9.997 -12.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -3.024 -11.524 -12.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -4.667 -11.100 -12.553 1.00 0.00 H new ATOM 1058 N ALA A 66 -2.669 -12.991 -6.378 1.00 0.00 N ATOM 1059 CA ALA A 66 -3.316 -12.112 -5.412 1.00 0.00 C ATOM 1060 C ALA A 66 -2.326 -11.106 -4.836 1.00 0.00 C ATOM 1061 O ALA A 66 -2.665 -9.946 -4.609 1.00 0.00 O ATOM 1062 CB ALA A 66 -3.951 -12.929 -4.298 1.00 0.00 C ATOM 0 H ALA A 66 -2.509 -13.941 -6.043 1.00 0.00 H new ATOM 0 HA ALA A 66 -4.098 -11.556 -5.930 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -4.431 -12.260 -3.584 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -4.696 -13.603 -4.720 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -3.182 -13.511 -3.790 1.00 0.00 H new ATOM 1068 N LEU A 67 -1.100 -11.562 -4.600 1.00 0.00 N ATOM 1069 CA LEU A 67 -0.059 -10.705 -4.047 1.00 0.00 C ATOM 1070 C LEU A 67 0.487 -9.751 -5.105 1.00 0.00 C ATOM 1071 O LEU A 67 0.831 -8.607 -4.808 1.00 0.00 O ATOM 1072 CB LEU A 67 1.070 -11.554 -3.470 1.00 0.00 C ATOM 1073 CG LEU A 67 1.403 -11.280 -2.003 1.00 0.00 C ATOM 1074 CD1 LEU A 67 1.677 -9.799 -1.785 1.00 0.00 C ATOM 1075 CD2 LEU A 67 0.269 -11.754 -1.105 1.00 0.00 C ATOM 0 H LEU A 67 -0.804 -12.521 -4.783 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.500 -10.108 -3.248 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.803 -12.606 -3.576 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.968 -11.391 -4.067 1.00 0.00 H new ATOM 0 HG LEU A 67 2.304 -11.835 -1.743 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.912 -9.623 -0.735 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.521 -9.490 -2.402 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.795 -9.221 -2.061 1.00 0.00 H new ATOM 0 HD21 LEU A 67 0.521 -11.552 -0.064 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.647 -11.225 -1.366 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.120 -12.825 -1.241 1.00 0.00 H new ATOM 1087 N GLN A 68 0.564 -10.231 -6.343 1.00 0.00 N ATOM 1088 CA GLN A 68 1.070 -9.424 -7.447 1.00 0.00 C ATOM 1089 C GLN A 68 0.197 -8.193 -7.669 1.00 0.00 C ATOM 1090 O GLN A 68 0.696 -7.121 -8.010 1.00 0.00 O ATOM 1091 CB GLN A 68 1.133 -10.257 -8.728 1.00 0.00 C ATOM 1092 CG GLN A 68 2.469 -10.950 -8.937 1.00 0.00 C ATOM 1093 CD GLN A 68 2.959 -10.852 -10.370 1.00 0.00 C ATOM 1094 OE1 GLN A 68 3.017 -11.849 -11.088 1.00 0.00 O ATOM 1095 NE2 GLN A 68 3.315 -9.644 -10.792 1.00 0.00 N ATOM 0 H GLN A 68 0.282 -11.175 -6.606 1.00 0.00 H new ATOM 0 HA GLN A 68 2.075 -9.091 -7.188 1.00 0.00 H new ATOM 0 HB2 GLN A 68 0.344 -11.008 -8.702 1.00 0.00 H new ATOM 0 HB3 GLN A 68 0.931 -9.611 -9.582 1.00 0.00 H new ATOM 0 HG2 GLN A 68 3.211 -10.508 -8.272 1.00 0.00 H new ATOM 0 HG3 GLN A 68 2.377 -12.000 -8.659 1.00 0.00 H new ATOM 0 HE21 GLN A 68 3.251 -8.844 -10.162 1.00 0.00 H new ATOM 0 HE22 GLN A 68 3.653 -9.516 -11.746 1.00 0.00 H new ATOM 1104 N GLU A 69 -1.107 -8.354 -7.476 1.00 0.00 N ATOM 1105 CA GLU A 69 -2.048 -7.253 -7.659 1.00 0.00 C ATOM 1106 C GLU A 69 -1.964 -6.268 -6.504 1.00 0.00 C ATOM 1107 O GLU A 69 -2.197 -5.072 -6.677 1.00 0.00 O ATOM 1108 CB GLU A 69 -3.475 -7.782 -7.800 1.00 0.00 C ATOM 1109 CG GLU A 69 -4.495 -6.701 -8.121 1.00 0.00 C ATOM 1110 CD GLU A 69 -4.581 -6.403 -9.605 1.00 0.00 C ATOM 1111 OE1 GLU A 69 -3.541 -6.054 -10.202 1.00 0.00 O ATOM 1112 OE2 GLU A 69 -5.688 -6.520 -10.171 1.00 0.00 O ATOM 0 H GLU A 69 -1.537 -9.235 -7.193 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.778 -6.730 -8.576 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.498 -8.537 -8.586 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.763 -8.278 -6.873 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -5.475 -7.012 -7.759 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -4.233 -5.789 -7.586 1.00 0.00 H new ATOM 1119 N LEU A 70 -1.612 -6.773 -5.329 1.00 0.00 N ATOM 1120 CA LEU A 70 -1.481 -5.931 -4.149 1.00 0.00 C ATOM 1121 C LEU A 70 -0.575 -4.741 -4.450 1.00 0.00 C ATOM 1122 O LEU A 70 -0.719 -3.669 -3.863 1.00 0.00 O ATOM 1123 CB LEU A 70 -0.917 -6.738 -2.978 1.00 0.00 C ATOM 1124 CG LEU A 70 -1.562 -6.448 -1.621 1.00 0.00 C ATOM 1125 CD1 LEU A 70 -1.483 -7.671 -0.720 1.00 0.00 C ATOM 1126 CD2 LEU A 70 -0.895 -5.252 -0.960 1.00 0.00 C ATOM 0 H LEU A 70 -1.412 -7.760 -5.168 1.00 0.00 H new ATOM 0 HA LEU A 70 -2.469 -5.562 -3.874 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -1.033 -7.799 -3.199 1.00 0.00 H new ATOM 0 HB3 LEU A 70 0.153 -6.543 -2.904 1.00 0.00 H new ATOM 0 HG LEU A 70 -2.613 -6.209 -1.783 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.947 -7.446 0.240 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -2.007 -8.503 -1.190 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -0.439 -7.941 -0.564 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -1.366 -5.060 0.004 1.00 0.00 H new ATOM 0 HD22 LEU A 70 0.164 -5.462 -0.811 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -1.004 -4.375 -1.599 1.00 0.00 H new ATOM 1138 N ARG A 71 0.362 -4.944 -5.374 1.00 0.00 N ATOM 1139 CA ARG A 71 1.298 -3.894 -5.760 1.00 0.00 C ATOM 1140 C ARG A 71 0.584 -2.777 -6.514 1.00 0.00 C ATOM 1141 O ARG A 71 0.887 -1.598 -6.330 1.00 0.00 O ATOM 1142 CB ARG A 71 2.418 -4.474 -6.625 1.00 0.00 C ATOM 1143 CG ARG A 71 3.737 -3.728 -6.493 1.00 0.00 C ATOM 1144 CD ARG A 71 4.801 -4.312 -7.407 1.00 0.00 C ATOM 1145 NE ARG A 71 6.067 -3.590 -7.304 1.00 0.00 N ATOM 1146 CZ ARG A 71 6.267 -2.371 -7.798 1.00 0.00 C ATOM 1147 NH1 ARG A 71 5.288 -1.734 -8.430 1.00 0.00 N ATOM 1148 NH2 ARG A 71 7.449 -1.786 -7.661 1.00 0.00 N ATOM 0 H ARG A 71 0.492 -5.827 -5.868 1.00 0.00 H new ATOM 0 HA ARG A 71 1.729 -3.475 -4.851 1.00 0.00 H new ATOM 0 HB2 ARG A 71 2.572 -5.518 -6.353 1.00 0.00 H new ATOM 0 HB3 ARG A 71 2.104 -4.459 -7.669 1.00 0.00 H new ATOM 0 HG2 ARG A 71 3.587 -2.676 -6.734 1.00 0.00 H new ATOM 0 HG3 ARG A 71 4.080 -3.773 -5.459 1.00 0.00 H new ATOM 0 HD2 ARG A 71 4.960 -5.360 -7.155 1.00 0.00 H new ATOM 0 HD3 ARG A 71 4.449 -4.282 -8.438 1.00 0.00 H new ATOM 0 HE ARG A 71 6.843 -4.047 -6.825 1.00 0.00 H new ATOM 0 HH11 ARG A 71 4.377 -2.179 -8.539 1.00 0.00 H new ATOM 0 HH12 ARG A 71 5.447 -0.800 -8.807 1.00 0.00 H new ATOM 0 HH21 ARG A 71 8.205 -2.271 -7.177 1.00 0.00 H new ATOM 0 HH22 ARG A 71 7.602 -0.851 -8.040 1.00 0.00 H new ATOM 1162 N GLN A 72 -0.364 -3.155 -7.365 1.00 0.00 N ATOM 1163 CA GLN A 72 -1.120 -2.185 -8.149 1.00 0.00 C ATOM 1164 C GLN A 72 -1.880 -1.223 -7.242 1.00 0.00 C ATOM 1165 O GLN A 72 -1.815 -0.007 -7.417 1.00 0.00 O ATOM 1166 CB GLN A 72 -2.096 -2.903 -9.083 1.00 0.00 C ATOM 1167 CG GLN A 72 -1.428 -3.533 -10.294 1.00 0.00 C ATOM 1168 CD GLN A 72 -1.587 -2.697 -11.548 1.00 0.00 C ATOM 1169 OE1 GLN A 72 -2.633 -2.722 -12.198 1.00 0.00 O ATOM 1170 NE2 GLN A 72 -0.546 -1.949 -11.898 1.00 0.00 N ATOM 0 H GLN A 72 -0.627 -4.127 -7.529 1.00 0.00 H new ATOM 0 HA GLN A 72 -0.413 -1.609 -8.746 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -2.618 -3.678 -8.522 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -2.850 -2.193 -9.423 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -0.367 -3.673 -10.087 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -1.853 -4.522 -10.465 1.00 0.00 H new ATOM 0 HE21 GLN A 72 0.302 -1.958 -11.331 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -0.595 -1.366 -12.734 1.00 0.00 H new ATOM 1179 N GLU A 73 -2.602 -1.776 -6.274 1.00 0.00 N ATOM 1180 CA GLU A 73 -3.375 -0.967 -5.339 1.00 0.00 C ATOM 1181 C GLU A 73 -2.465 -0.042 -4.537 1.00 0.00 C ATOM 1182 O GLU A 73 -2.740 1.149 -4.398 1.00 0.00 O ATOM 1183 CB GLU A 73 -4.172 -1.866 -4.392 1.00 0.00 C ATOM 1184 CG GLU A 73 -5.043 -2.884 -5.109 1.00 0.00 C ATOM 1185 CD GLU A 73 -6.474 -2.411 -5.278 1.00 0.00 C ATOM 1186 OE1 GLU A 73 -6.671 -1.222 -5.606 1.00 0.00 O ATOM 1187 OE2 GLU A 73 -7.396 -3.230 -5.084 1.00 0.00 O ATOM 0 H GLU A 73 -2.668 -2.782 -6.116 1.00 0.00 H new ATOM 0 HA GLU A 73 -4.068 -0.354 -5.915 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -3.479 -2.392 -3.735 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -4.803 -1.243 -3.758 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -4.616 -3.096 -6.089 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -5.037 -3.820 -4.550 1.00 0.00 H new ATOM 1194 N LEU A 74 -1.381 -0.600 -4.009 1.00 0.00 N ATOM 1195 CA LEU A 74 -0.430 0.174 -3.218 1.00 0.00 C ATOM 1196 C LEU A 74 0.326 1.168 -4.094 1.00 0.00 C ATOM 1197 O LEU A 74 0.674 2.262 -3.650 1.00 0.00 O ATOM 1198 CB LEU A 74 0.558 -0.758 -2.514 1.00 0.00 C ATOM 1199 CG LEU A 74 -0.065 -1.708 -1.490 1.00 0.00 C ATOM 1200 CD1 LEU A 74 1.013 -2.527 -0.798 1.00 0.00 C ATOM 1201 CD2 LEU A 74 -0.883 -0.930 -0.471 1.00 0.00 C ATOM 0 H LEU A 74 -1.139 -1.585 -4.114 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.990 0.732 -2.468 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.076 -1.350 -3.268 1.00 0.00 H new ATOM 0 HB3 LEU A 74 1.312 -0.151 -2.012 1.00 0.00 H new ATOM 0 HG LEU A 74 -0.731 -2.392 -2.015 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.551 -3.197 -0.073 1.00 0.00 H new ATOM 0 HD12 LEU A 74 1.557 -3.113 -1.539 1.00 0.00 H new ATOM 0 HD13 LEU A 74 1.705 -1.859 -0.285 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -1.319 -1.622 0.250 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -0.238 -0.222 0.049 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -1.679 -0.388 -0.981 1.00 0.00 H new ATOM 1213 N ASN A 75 0.580 0.780 -5.340 1.00 0.00 N ATOM 1214 CA ASN A 75 1.297 1.638 -6.276 1.00 0.00 C ATOM 1215 C ASN A 75 0.555 2.953 -6.489 1.00 0.00 C ATOM 1216 O ASN A 75 1.140 4.032 -6.383 1.00 0.00 O ATOM 1217 CB ASN A 75 1.485 0.922 -7.615 1.00 0.00 C ATOM 1218 CG ASN A 75 2.292 1.743 -8.602 1.00 0.00 C ATOM 1219 OD1 ASN A 75 3.516 1.831 -8.501 1.00 0.00 O ATOM 1220 ND2 ASN A 75 1.609 2.350 -9.565 1.00 0.00 N ATOM 0 H ASN A 75 0.300 -0.122 -5.724 1.00 0.00 H new ATOM 0 HA ASN A 75 2.275 1.860 -5.849 1.00 0.00 H new ATOM 0 HB2 ASN A 75 1.984 -0.032 -7.447 1.00 0.00 H new ATOM 0 HB3 ASN A 75 0.508 0.699 -8.045 1.00 0.00 H new ATOM 0 HD21 ASN A 75 2.098 2.916 -10.258 1.00 0.00 H new ATOM 0 HD22 ASN A 75 0.595 2.250 -9.612 1.00 0.00 H new ATOM 1227 N THR A 76 -0.735 2.858 -6.793 1.00 0.00 N ATOM 1228 CA THR A 76 -1.556 4.037 -7.021 1.00 0.00 C ATOM 1229 C THR A 76 -1.913 4.725 -5.713 1.00 0.00 C ATOM 1230 O THR A 76 -1.973 5.950 -5.649 1.00 0.00 O ATOM 1231 CB THR A 76 -2.833 3.677 -7.755 1.00 0.00 C ATOM 1232 OG1 THR A 76 -3.302 2.399 -7.363 1.00 0.00 O ATOM 1233 CG2 THR A 76 -2.685 3.677 -9.261 1.00 0.00 C ATOM 0 H THR A 76 -1.234 1.973 -6.887 1.00 0.00 H new ATOM 0 HA THR A 76 -0.967 4.721 -7.633 1.00 0.00 H new ATOM 0 HB THR A 76 -3.546 4.455 -7.481 1.00 0.00 H new ATOM 0 HG1 THR A 76 -4.127 2.190 -7.849 1.00 0.00 H new ATOM 0 HG21 THR A 76 -3.637 3.411 -9.720 1.00 0.00 H new ATOM 0 HG22 THR A 76 -2.385 4.670 -9.597 1.00 0.00 H new ATOM 0 HG23 THR A 76 -1.926 2.951 -9.552 1.00 0.00 H new ATOM 1241 N LEU A 77 -2.163 3.935 -4.673 1.00 0.00 N ATOM 1242 CA LEU A 77 -2.525 4.491 -3.373 1.00 0.00 C ATOM 1243 C LEU A 77 -1.530 5.575 -2.981 1.00 0.00 C ATOM 1244 O LEU A 77 -1.869 6.528 -2.280 1.00 0.00 O ATOM 1245 CB LEU A 77 -2.554 3.391 -2.309 1.00 0.00 C ATOM 1246 CG LEU A 77 -3.889 2.659 -2.172 1.00 0.00 C ATOM 1247 CD1 LEU A 77 -3.743 1.449 -1.261 1.00 0.00 C ATOM 1248 CD2 LEU A 77 -4.960 3.601 -1.643 1.00 0.00 C ATOM 0 H LEU A 77 -2.122 2.916 -4.704 1.00 0.00 H new ATOM 0 HA LEU A 77 -3.521 4.929 -3.443 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -1.779 2.661 -2.542 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.298 3.832 -1.345 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.194 2.310 -3.159 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -4.703 0.940 -1.175 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -3.006 0.764 -1.681 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -3.415 1.774 -0.274 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -5.904 3.064 -1.551 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -4.661 3.979 -0.665 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -5.083 4.436 -2.333 1.00 0.00 H new ATOM 1260 N ALA A 78 -0.303 5.425 -3.463 1.00 0.00 N ATOM 1261 CA ALA A 78 0.749 6.390 -3.203 1.00 0.00 C ATOM 1262 C ALA A 78 0.517 7.689 -3.980 1.00 0.00 C ATOM 1263 O ALA A 78 0.961 8.756 -3.555 1.00 0.00 O ATOM 1264 CB ALA A 78 2.105 5.798 -3.556 1.00 0.00 C ATOM 0 H ALA A 78 -0.014 4.636 -4.041 1.00 0.00 H new ATOM 0 HA ALA A 78 0.732 6.628 -2.140 1.00 0.00 H new ATOM 0 HB1 ALA A 78 2.886 6.532 -3.356 1.00 0.00 H new ATOM 0 HB2 ALA A 78 2.281 4.907 -2.953 1.00 0.00 H new ATOM 0 HB3 ALA A 78 2.121 5.530 -4.612 1.00 0.00 H new ATOM 1270 N ASN A 79 -0.156 7.597 -5.135 1.00 0.00 N ATOM 1271 CA ASN A 79 -0.400 8.782 -5.962 1.00 0.00 C ATOM 1272 C ASN A 79 -1.130 9.880 -5.185 1.00 0.00 C ATOM 1273 O ASN A 79 -0.652 11.012 -5.110 1.00 0.00 O ATOM 1274 CB ASN A 79 -1.201 8.401 -7.211 1.00 0.00 C ATOM 1275 CG ASN A 79 -0.534 8.871 -8.490 1.00 0.00 C ATOM 1276 OD1 ASN A 79 -0.417 10.071 -8.737 1.00 0.00 O ATOM 1277 ND2 ASN A 79 -0.095 7.924 -9.311 1.00 0.00 N ATOM 0 H ASN A 79 -0.535 6.728 -5.512 1.00 0.00 H new ATOM 0 HA ASN A 79 0.571 9.178 -6.261 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -1.324 7.318 -7.245 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -2.200 8.833 -7.145 1.00 0.00 H new ATOM 0 HD21 ASN A 79 0.361 8.180 -10.187 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -0.213 6.941 -9.065 1.00 0.00 H new ATOM 1284 N PRO A 80 -2.298 9.569 -4.596 1.00 0.00 N ATOM 1285 CA PRO A 80 -3.075 10.548 -3.829 1.00 0.00 C ATOM 1286 C PRO A 80 -2.238 11.242 -2.761 1.00 0.00 C ATOM 1287 O PRO A 80 -2.238 12.469 -2.658 1.00 0.00 O ATOM 1288 CB PRO A 80 -4.171 9.702 -3.176 1.00 0.00 C ATOM 1289 CG PRO A 80 -4.321 8.518 -4.066 1.00 0.00 C ATOM 1290 CD PRO A 80 -2.956 8.251 -4.641 1.00 0.00 C ATOM 0 HA PRO A 80 -3.455 11.350 -4.462 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -3.891 9.404 -2.166 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -5.105 10.258 -3.097 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -4.684 7.655 -3.508 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -5.045 8.714 -4.857 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -2.412 7.511 -4.055 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -3.018 7.868 -5.660 1.00 0.00 H new ATOM 1298 N PHE A 81 -1.525 10.449 -1.967 1.00 0.00 N ATOM 1299 CA PHE A 81 -0.683 10.988 -0.905 1.00 0.00 C ATOM 1300 C PHE A 81 0.443 11.840 -1.482 1.00 0.00 C ATOM 1301 O PHE A 81 0.657 12.974 -1.055 1.00 0.00 O ATOM 1302 CB PHE A 81 -0.099 9.851 -0.065 1.00 0.00 C ATOM 1303 CG PHE A 81 0.504 10.312 1.232 1.00 0.00 C ATOM 1304 CD1 PHE A 81 -0.304 10.682 2.295 1.00 0.00 C ATOM 1305 CD2 PHE A 81 1.880 10.375 1.387 1.00 0.00 C ATOM 1306 CE1 PHE A 81 0.248 11.105 3.489 1.00 0.00 C ATOM 1307 CE2 PHE A 81 2.438 10.797 2.579 1.00 0.00 C ATOM 1308 CZ PHE A 81 1.621 11.163 3.631 1.00 0.00 C ATOM 0 H PHE A 81 -1.514 9.432 -2.039 1.00 0.00 H new ATOM 0 HA PHE A 81 -1.302 11.621 -0.269 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -0.885 9.126 0.146 1.00 0.00 H new ATOM 0 HB3 PHE A 81 0.664 9.334 -0.648 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -1.378 10.639 2.189 1.00 0.00 H new ATOM 0 HD2 PHE A 81 2.523 10.091 0.567 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -0.393 11.390 4.310 1.00 0.00 H new ATOM 0 HE2 PHE A 81 3.512 10.841 2.688 1.00 0.00 H new ATOM 0 HZ PHE A 81 2.055 11.494 4.563 1.00 0.00 H new ATOM 1318 N LEU A 82 1.159 11.286 -2.453 1.00 0.00 N ATOM 1319 CA LEU A 82 2.264 11.994 -3.088 1.00 0.00 C ATOM 1320 C LEU A 82 1.777 13.279 -3.753 1.00 0.00 C ATOM 1321 O LEU A 82 2.465 14.299 -3.734 1.00 0.00 O ATOM 1322 CB LEU A 82 2.946 11.098 -4.124 1.00 0.00 C ATOM 1323 CG LEU A 82 4.052 10.196 -3.570 1.00 0.00 C ATOM 1324 CD1 LEU A 82 4.348 9.061 -4.538 1.00 0.00 C ATOM 1325 CD2 LEU A 82 5.309 11.007 -3.295 1.00 0.00 C ATOM 0 H LEU A 82 0.994 10.348 -2.818 1.00 0.00 H new ATOM 0 HA LEU A 82 2.985 12.256 -2.314 1.00 0.00 H new ATOM 0 HB2 LEU A 82 2.189 10.472 -4.595 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.369 11.729 -4.906 1.00 0.00 H new ATOM 0 HG LEU A 82 3.709 9.764 -2.630 1.00 0.00 H new ATOM 0 HD11 LEU A 82 5.137 8.430 -4.128 1.00 0.00 H new ATOM 0 HD12 LEU A 82 3.447 8.466 -4.687 1.00 0.00 H new ATOM 0 HD13 LEU A 82 4.673 9.473 -5.493 1.00 0.00 H new ATOM 0 HD21 LEU A 82 6.086 10.352 -2.902 1.00 0.00 H new ATOM 0 HD22 LEU A 82 5.656 11.466 -4.221 1.00 0.00 H new ATOM 0 HD23 LEU A 82 5.087 11.786 -2.565 1.00 0.00 H new ATOM 1337 N ALA A 83 0.586 13.219 -4.341 1.00 0.00 N ATOM 1338 CA ALA A 83 0.008 14.376 -5.012 1.00 0.00 C ATOM 1339 C ALA A 83 -0.352 15.470 -4.013 1.00 0.00 C ATOM 1340 O ALA A 83 -0.120 16.653 -4.261 1.00 0.00 O ATOM 1341 CB ALA A 83 -1.220 13.965 -5.810 1.00 0.00 C ATOM 0 H ALA A 83 0.004 12.382 -4.366 1.00 0.00 H new ATOM 0 HA ALA A 83 0.756 14.777 -5.696 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -1.641 14.840 -6.306 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -0.937 13.225 -6.558 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -1.963 13.536 -5.138 1.00 0.00 H new ATOM 1347 N LYS A 84 -0.920 15.067 -2.881 1.00 0.00 N ATOM 1348 CA LYS A 84 -1.312 16.012 -1.843 1.00 0.00 C ATOM 1349 C LYS A 84 -0.091 16.541 -1.097 1.00 0.00 C ATOM 1350 O LYS A 84 0.027 17.742 -0.853 1.00 0.00 O ATOM 1351 CB LYS A 84 -2.278 15.349 -0.858 1.00 0.00 C ATOM 1352 CG LYS A 84 -3.738 15.485 -1.254 1.00 0.00 C ATOM 1353 CD LYS A 84 -4.634 15.639 -0.035 1.00 0.00 C ATOM 1354 CE LYS A 84 -5.764 16.622 -0.295 1.00 0.00 C ATOM 1355 NZ LYS A 84 -6.964 15.950 -0.867 1.00 0.00 N ATOM 0 H LYS A 84 -1.119 14.091 -2.660 1.00 0.00 H new ATOM 0 HA LYS A 84 -1.813 16.852 -2.324 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -2.030 14.291 -0.775 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -2.135 15.788 0.129 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -3.860 16.349 -1.908 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -4.045 14.608 -1.824 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -5.050 14.669 0.237 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -4.041 15.981 0.813 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -6.035 17.118 0.637 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -5.421 17.397 -0.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -7.712 16.654 -1.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -6.712 15.498 -1.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -7.307 15.228 -0.202 1.00 0.00 H new ATOM 1369 N TYR A 85 0.814 15.637 -0.735 1.00 0.00 N ATOM 1370 CA TYR A 85 2.025 16.013 -0.016 1.00 0.00 C ATOM 1371 C TYR A 85 2.853 17.008 -0.824 1.00 0.00 C ATOM 1372 O TYR A 85 3.283 18.038 -0.305 1.00 0.00 O ATOM 1373 CB TYR A 85 2.863 14.771 0.297 1.00 0.00 C ATOM 1374 CG TYR A 85 3.508 14.805 1.664 1.00 0.00 C ATOM 1375 CD1 TYR A 85 4.564 15.666 1.934 1.00 0.00 C ATOM 1376 CD2 TYR A 85 3.062 13.975 2.685 1.00 0.00 C ATOM 1377 CE1 TYR A 85 5.156 15.700 3.181 1.00 0.00 C ATOM 1378 CE2 TYR A 85 3.649 14.003 3.936 1.00 0.00 C ATOM 1379 CZ TYR A 85 4.695 14.866 4.178 1.00 0.00 C ATOM 1380 OH TYR A 85 5.283 14.897 5.423 1.00 0.00 O ATOM 0 H TYR A 85 0.731 14.639 -0.928 1.00 0.00 H new ATOM 0 HA TYR A 85 1.729 16.490 0.918 1.00 0.00 H new ATOM 0 HB2 TYR A 85 2.229 13.887 0.226 1.00 0.00 H new ATOM 0 HB3 TYR A 85 3.640 14.667 -0.460 1.00 0.00 H new ATOM 0 HD1 TYR A 85 4.928 16.320 1.155 1.00 0.00 H new ATOM 0 HD2 TYR A 85 2.243 13.296 2.498 1.00 0.00 H new ATOM 0 HE1 TYR A 85 5.976 16.376 3.375 1.00 0.00 H new ATOM 0 HE2 TYR A 85 3.290 13.352 4.719 1.00 0.00 H new ATOM 0 HH TYR A 85 4.840 14.249 6.010 1.00 0.00 H new ATOM 1390 N ARG A 86 3.072 16.694 -2.097 1.00 0.00 N ATOM 1391 CA ARG A 86 3.847 17.562 -2.975 1.00 0.00 C ATOM 1392 C ARG A 86 3.169 18.917 -3.141 1.00 0.00 C ATOM 1393 O ARG A 86 3.833 19.936 -3.327 1.00 0.00 O ATOM 1394 CB ARG A 86 4.035 16.901 -4.342 1.00 0.00 C ATOM 1395 CG ARG A 86 5.286 16.044 -4.438 1.00 0.00 C ATOM 1396 CD ARG A 86 5.458 15.463 -5.832 1.00 0.00 C ATOM 1397 NE ARG A 86 6.862 15.406 -6.233 1.00 0.00 N ATOM 1398 CZ ARG A 86 7.298 14.771 -7.319 1.00 0.00 C ATOM 1399 NH1 ARG A 86 6.443 14.139 -8.113 1.00 0.00 N ATOM 1400 NH2 ARG A 86 8.591 14.769 -7.609 1.00 0.00 N ATOM 0 H ARG A 86 2.724 15.845 -2.543 1.00 0.00 H new ATOM 0 HA ARG A 86 4.824 17.720 -2.517 1.00 0.00 H new ATOM 0 HB2 ARG A 86 3.164 16.283 -4.560 1.00 0.00 H new ATOM 0 HB3 ARG A 86 4.076 17.675 -5.108 1.00 0.00 H new ATOM 0 HG2 ARG A 86 6.160 16.644 -4.182 1.00 0.00 H new ATOM 0 HG3 ARG A 86 5.231 15.235 -3.710 1.00 0.00 H new ATOM 0 HD2 ARG A 86 5.032 14.460 -5.862 1.00 0.00 H new ATOM 0 HD3 ARG A 86 4.901 16.068 -6.548 1.00 0.00 H new ATOM 0 HE ARG A 86 7.548 15.881 -5.646 1.00 0.00 H new ATOM 0 HH11 ARG A 86 5.447 14.138 -7.892 1.00 0.00 H new ATOM 0 HH12 ARG A 86 6.782 13.654 -8.944 1.00 0.00 H new ATOM 0 HH21 ARG A 86 9.251 15.254 -7.001 1.00 0.00 H new ATOM 0 HH22 ARG A 86 8.926 14.283 -8.441 1.00 0.00 H new ATOM 1414 N ASP A 87 1.841 18.922 -3.074 1.00 0.00 N ATOM 1415 CA ASP A 87 1.072 20.152 -3.217 1.00 0.00 C ATOM 1416 C ASP A 87 1.115 20.975 -1.933 1.00 0.00 C ATOM 1417 O ASP A 87 1.065 22.204 -1.970 1.00 0.00 O ATOM 1418 CB ASP A 87 -0.378 19.832 -3.583 1.00 0.00 C ATOM 1419 CG ASP A 87 -0.989 20.879 -4.493 1.00 0.00 C ATOM 1420 OD1 ASP A 87 -0.937 22.076 -4.140 1.00 0.00 O ATOM 1421 OD2 ASP A 87 -1.521 20.502 -5.558 1.00 0.00 O ATOM 0 H ASP A 87 1.275 18.087 -2.921 1.00 0.00 H new ATOM 0 HA ASP A 87 1.521 20.739 -4.018 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -0.420 18.859 -4.073 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -0.971 19.756 -2.672 1.00 0.00 H new ATOM 1426 N PHE A 88 1.207 20.289 -0.799 1.00 0.00 N ATOM 1427 CA PHE A 88 1.256 20.956 0.496 1.00 0.00 C ATOM 1428 C PHE A 88 2.568 21.717 0.668 1.00 0.00 C ATOM 1429 O PHE A 88 2.596 22.801 1.250 1.00 0.00 O ATOM 1430 CB PHE A 88 1.090 19.937 1.625 1.00 0.00 C ATOM 1431 CG PHE A 88 -0.305 19.873 2.175 1.00 0.00 C ATOM 1432 CD1 PHE A 88 -1.364 19.477 1.373 1.00 0.00 C ATOM 1433 CD2 PHE A 88 -0.559 20.210 3.496 1.00 0.00 C ATOM 1434 CE1 PHE A 88 -2.649 19.417 1.877 1.00 0.00 C ATOM 1435 CE2 PHE A 88 -1.843 20.153 4.005 1.00 0.00 C ATOM 1436 CZ PHE A 88 -2.889 19.755 3.195 1.00 0.00 C ATOM 0 H PHE A 88 1.249 19.271 -0.751 1.00 0.00 H new ATOM 0 HA PHE A 88 0.435 21.672 0.539 1.00 0.00 H new ATOM 0 HB2 PHE A 88 1.372 18.950 1.257 1.00 0.00 H new ATOM 0 HB3 PHE A 88 1.779 20.186 2.432 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -1.182 19.212 0.342 1.00 0.00 H new ATOM 0 HD2 PHE A 88 0.255 20.520 4.134 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -3.465 19.106 1.241 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -2.028 20.419 5.035 1.00 0.00 H new ATOM 0 HZ PHE A 88 -3.893 19.708 3.591 1.00 0.00 H new ATOM 1446 N LEU A 89 3.651 21.142 0.156 1.00 0.00 N ATOM 1447 CA LEU A 89 4.966 21.766 0.253 1.00 0.00 C ATOM 1448 C LEU A 89 5.659 21.791 -1.106 1.00 0.00 C ATOM 1449 O LEU A 89 5.733 22.835 -1.756 1.00 0.00 O ATOM 1450 CB LEU A 89 5.840 21.026 1.273 1.00 0.00 C ATOM 1451 CG LEU A 89 5.527 19.536 1.443 1.00 0.00 C ATOM 1452 CD1 LEU A 89 6.812 18.733 1.582 1.00 0.00 C ATOM 1453 CD2 LEU A 89 4.626 19.316 2.647 1.00 0.00 C ATOM 0 H LEU A 89 3.644 20.245 -0.330 1.00 0.00 H new ATOM 0 HA LEU A 89 4.825 22.793 0.589 1.00 0.00 H new ATOM 0 HB2 LEU A 89 6.884 21.130 0.976 1.00 0.00 H new ATOM 0 HB3 LEU A 89 5.734 21.516 2.241 1.00 0.00 H new ATOM 0 HG LEU A 89 5.002 19.190 0.553 1.00 0.00 H new ATOM 0 HD11 LEU A 89 6.570 17.677 1.702 1.00 0.00 H new ATOM 0 HD12 LEU A 89 7.423 18.866 0.689 1.00 0.00 H new ATOM 0 HD13 LEU A 89 7.365 19.080 2.455 1.00 0.00 H new ATOM 0 HD21 LEU A 89 4.414 18.252 2.753 1.00 0.00 H new ATOM 0 HD22 LEU A 89 5.125 19.678 3.546 1.00 0.00 H new ATOM 0 HD23 LEU A 89 3.692 19.860 2.507 1.00 0.00 H new ATOM 1465 N LYS A 90 6.165 20.638 -1.530 1.00 0.00 N ATOM 1466 CA LYS A 90 6.851 20.530 -2.812 1.00 0.00 C ATOM 1467 C LYS A 90 6.651 19.147 -3.423 1.00 0.00 C ATOM 1468 O LYS A 90 6.119 19.070 -4.549 1.00 0.00 O ATOM 1469 CB LYS A 90 8.345 20.813 -2.640 1.00 0.00 C ATOM 1470 CG LYS A 90 8.963 21.557 -3.813 1.00 0.00 C ATOM 1471 CD LYS A 90 10.481 21.533 -3.749 1.00 0.00 C ATOM 1472 CE LYS A 90 11.048 20.302 -4.438 1.00 0.00 C ATOM 1473 NZ LYS A 90 11.160 20.490 -5.910 1.00 0.00 N ATOM 1474 OXT LYS A 90 7.029 18.152 -2.768 1.00 1.00 O ATOM 0 H LYS A 90 6.113 19.765 -1.005 1.00 0.00 H new ATOM 0 HA LYS A 90 6.423 21.270 -3.488 1.00 0.00 H new ATOM 0 HB2 LYS A 90 8.493 21.397 -1.732 1.00 0.00 H new ATOM 0 HB3 LYS A 90 8.871 19.869 -2.502 1.00 0.00 H new ATOM 0 HG2 LYS A 90 8.630 21.106 -4.748 1.00 0.00 H new ATOM 0 HG3 LYS A 90 8.614 22.590 -3.815 1.00 0.00 H new ATOM 0 HD2 LYS A 90 10.880 22.431 -4.220 1.00 0.00 H new ATOM 0 HD3 LYS A 90 10.803 21.549 -2.708 1.00 0.00 H new ATOM 0 HE2 LYS A 90 12.031 20.076 -4.025 1.00 0.00 H new ATOM 0 HE3 LYS A 90 10.410 19.443 -4.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 11.551 19.628 -6.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 10.218 20.680 -6.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 11.789 21.293 -6.110 1.00 0.00 H new