USER MOD reduce.3.24.130724 H: found=0, std=0, add=620, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 617 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 Single : A 1 MET CE :methyl 152:sc= -0.314 (180deg=-1.16) USER MOD Single : A 1 MET N :NH3+ 140:sc= 1.43 (180deg=0.0254) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 GLN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= -0.0632 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 91:sc= -0.263 USER MOD Single : A 15 TYR OH : rot 45:sc= 1.23 USER MOD Single : A 16 SER OG : rot 176:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc=-0.00519 USER MOD Single : A 21 ASN : amide:sc= -0.309 X(o=-0.31,f=-0.22) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -1 K(o=-1,f=-0.0053) USER MOD Single : A 29 SER OG : rot 85:sc= 1.25 USER MOD Single : A 30 MET CE :methyl 162:sc= -0.136 (180deg=-0.56) USER MOD Single : A 51 GLN : amide:sc= -2.65! K(o=-2.6!,f=-1.4) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= -0.123 X(o=-0.12,f=0) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 117:sc= 0.382 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.091 -7.877 -24.679 1.00 0.00 N ATOM 2 CA MET A 1 9.340 -6.648 -24.333 1.00 0.00 C ATOM 3 C MET A 1 9.104 -6.591 -22.833 1.00 0.00 C ATOM 4 O MET A 1 9.055 -7.628 -22.174 1.00 0.00 O ATOM 5 CB MET A 1 7.988 -6.589 -25.059 1.00 0.00 C ATOM 6 CG MET A 1 8.084 -6.616 -26.577 1.00 0.00 C ATOM 7 SD MET A 1 8.391 -8.270 -27.226 1.00 0.00 S ATOM 8 CE MET A 1 6.908 -9.123 -26.683 1.00 0.00 C ATOM 0 H1 MET A 1 9.710 -8.280 -25.559 1.00 0.00 H new ATOM 0 H2 MET A 1 11.096 -7.644 -24.812 1.00 0.00 H new ATOM 0 H3 MET A 1 9.995 -8.571 -23.910 1.00 0.00 H new ATOM 0 HA MET A 1 9.939 -5.794 -24.651 1.00 0.00 H new ATOM 0 HB2 MET A 1 7.377 -7.430 -24.731 1.00 0.00 H new ATOM 0 HB3 MET A 1 7.467 -5.680 -24.757 1.00 0.00 H new ATOM 0 HG2 MET A 1 7.158 -6.229 -27.002 1.00 0.00 H new ATOM 0 HG3 MET A 1 8.885 -5.950 -26.898 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.687 -9.940 -27.369 1.00 0.00 H new ATOM 0 HE2 MET A 1 7.064 -9.523 -25.681 1.00 0.00 H new ATOM 0 HE3 MET A 1 6.071 -8.425 -26.669 1.00 0.00 H new ATOM 17 N SER A 2 8.949 -5.377 -22.313 1.00 0.00 N ATOM 18 CA SER A 2 8.683 -5.152 -20.895 1.00 0.00 C ATOM 19 C SER A 2 9.819 -5.676 -20.015 1.00 0.00 C ATOM 20 O SER A 2 9.794 -6.817 -19.553 1.00 0.00 O ATOM 21 CB SER A 2 7.348 -5.791 -20.495 1.00 0.00 C ATOM 22 OG SER A 2 6.307 -5.375 -21.368 1.00 0.00 O ATOM 0 H SER A 2 9.004 -4.520 -22.863 1.00 0.00 H new ATOM 0 HA SER A 2 8.619 -4.076 -20.736 1.00 0.00 H new ATOM 0 HB2 SER A 2 7.438 -6.877 -20.520 1.00 0.00 H new ATOM 0 HB3 SER A 2 7.101 -5.515 -19.470 1.00 0.00 H new ATOM 0 HG SER A 2 5.465 -5.795 -21.096 1.00 0.00 H new ATOM 28 N ALA A 3 10.826 -4.836 -19.803 1.00 0.00 N ATOM 29 CA ALA A 3 11.941 -5.184 -18.935 1.00 0.00 C ATOM 30 C ALA A 3 11.490 -5.171 -17.482 1.00 0.00 C ATOM 31 O ALA A 3 11.471 -4.123 -16.832 1.00 0.00 O ATOM 32 CB ALA A 3 13.107 -4.225 -19.147 1.00 0.00 C ATOM 0 H ALA A 3 10.892 -3.908 -20.222 1.00 0.00 H new ATOM 0 HA ALA A 3 12.282 -6.188 -19.186 1.00 0.00 H new ATOM 0 HB1 ALA A 3 13.930 -4.502 -18.489 1.00 0.00 H new ATOM 0 HB2 ALA A 3 13.438 -4.278 -20.184 1.00 0.00 H new ATOM 0 HB3 ALA A 3 12.788 -3.208 -18.920 1.00 0.00 H new ATOM 38 N LEU A 4 11.092 -6.330 -16.987 1.00 0.00 N ATOM 39 CA LEU A 4 10.535 -6.434 -15.651 1.00 0.00 C ATOM 40 C LEU A 4 11.494 -7.155 -14.713 1.00 0.00 C ATOM 41 O LEU A 4 11.672 -8.372 -14.806 1.00 0.00 O ATOM 42 CB LEU A 4 9.194 -7.170 -15.694 1.00 0.00 C ATOM 43 CG LEU A 4 8.137 -6.554 -16.612 1.00 0.00 C ATOM 44 CD1 LEU A 4 6.870 -7.393 -16.603 1.00 0.00 C ATOM 45 CD2 LEU A 4 7.825 -5.125 -16.192 1.00 0.00 C ATOM 0 H LEU A 4 11.145 -7.214 -17.492 1.00 0.00 H new ATOM 0 HA LEU A 4 10.378 -5.425 -15.270 1.00 0.00 H new ATOM 0 HB2 LEU A 4 9.373 -8.197 -16.012 1.00 0.00 H new ATOM 0 HB3 LEU A 4 8.791 -7.215 -14.682 1.00 0.00 H new ATOM 0 HG LEU A 4 8.537 -6.536 -17.626 1.00 0.00 H new ATOM 0 HD11 LEU A 4 6.129 -6.940 -17.261 1.00 0.00 H new ATOM 0 HD12 LEU A 4 7.098 -8.400 -16.952 1.00 0.00 H new ATOM 0 HD13 LEU A 4 6.473 -7.442 -15.589 1.00 0.00 H new ATOM 0 HD21 LEU A 4 7.071 -4.706 -16.858 1.00 0.00 H new ATOM 0 HD22 LEU A 4 7.448 -5.120 -15.169 1.00 0.00 H new ATOM 0 HD23 LEU A 4 8.732 -4.523 -16.247 1.00 0.00 H new ATOM 57 N GLN A 5 12.111 -6.399 -13.821 1.00 0.00 N ATOM 58 CA GLN A 5 12.995 -6.965 -12.814 1.00 0.00 C ATOM 59 C GLN A 5 12.505 -6.582 -11.415 1.00 0.00 C ATOM 60 O GLN A 5 12.889 -5.551 -10.865 1.00 0.00 O ATOM 61 CB GLN A 5 14.445 -6.513 -13.040 1.00 0.00 C ATOM 62 CG GLN A 5 14.613 -5.007 -13.199 1.00 0.00 C ATOM 63 CD GLN A 5 16.062 -4.594 -13.361 1.00 0.00 C ATOM 64 OE1 GLN A 5 16.972 -5.243 -12.844 1.00 0.00 O ATOM 65 NE2 GLN A 5 16.288 -3.502 -14.077 1.00 0.00 N ATOM 0 H GLN A 5 12.015 -5.385 -13.773 1.00 0.00 H new ATOM 0 HA GLN A 5 12.976 -8.051 -12.900 1.00 0.00 H new ATOM 0 HB2 GLN A 5 15.053 -6.848 -12.200 1.00 0.00 H new ATOM 0 HB3 GLN A 5 14.833 -7.006 -13.931 1.00 0.00 H new ATOM 0 HG2 GLN A 5 14.045 -4.672 -14.067 1.00 0.00 H new ATOM 0 HG3 GLN A 5 14.191 -4.505 -12.328 1.00 0.00 H new ATOM 0 HE21 GLN A 5 15.507 -2.992 -14.489 1.00 0.00 H new ATOM 0 HE22 GLN A 5 17.243 -3.172 -14.216 1.00 0.00 H new ATOM 74 N PRO A 6 11.609 -7.399 -10.845 1.00 0.00 N ATOM 75 CA PRO A 6 11.037 -7.153 -9.521 1.00 0.00 C ATOM 76 C PRO A 6 12.051 -7.370 -8.409 1.00 0.00 C ATOM 77 O PRO A 6 12.968 -8.184 -8.545 1.00 0.00 O ATOM 78 CB PRO A 6 9.905 -8.185 -9.408 1.00 0.00 C ATOM 79 CG PRO A 6 9.738 -8.755 -10.776 1.00 0.00 C ATOM 80 CD PRO A 6 11.076 -8.628 -11.440 1.00 0.00 C ATOM 0 HA PRO A 6 10.700 -6.122 -9.416 1.00 0.00 H new ATOM 0 HB2 PRO A 6 10.156 -8.964 -8.688 1.00 0.00 H new ATOM 0 HB3 PRO A 6 8.982 -7.718 -9.064 1.00 0.00 H new ATOM 0 HG2 PRO A 6 9.423 -9.797 -10.729 1.00 0.00 H new ATOM 0 HG3 PRO A 6 8.972 -8.215 -11.333 1.00 0.00 H new ATOM 0 HD2 PRO A 6 11.714 -9.488 -11.236 1.00 0.00 H new ATOM 0 HD3 PRO A 6 10.986 -8.549 -12.523 1.00 0.00 H new ATOM 88 N SER A 7 11.889 -6.642 -7.315 1.00 0.00 N ATOM 89 CA SER A 7 12.758 -6.813 -6.168 1.00 0.00 C ATOM 90 C SER A 7 12.140 -7.825 -5.209 1.00 0.00 C ATOM 91 O SER A 7 12.576 -8.973 -5.145 1.00 0.00 O ATOM 92 CB SER A 7 13.007 -5.473 -5.464 1.00 0.00 C ATOM 93 OG SER A 7 13.890 -5.624 -4.365 1.00 0.00 O ATOM 0 H SER A 7 11.167 -5.931 -7.200 1.00 0.00 H new ATOM 0 HA SER A 7 13.723 -7.189 -6.507 1.00 0.00 H new ATOM 0 HB2 SER A 7 13.425 -4.759 -6.174 1.00 0.00 H new ATOM 0 HB3 SER A 7 12.059 -5.060 -5.118 1.00 0.00 H new ATOM 0 HG SER A 7 14.031 -4.754 -3.937 1.00 0.00 H new ATOM 99 N ARG A 8 11.097 -7.414 -4.492 1.00 0.00 N ATOM 100 CA ARG A 8 10.447 -8.290 -3.536 1.00 0.00 C ATOM 101 C ARG A 8 8.937 -8.233 -3.689 1.00 0.00 C ATOM 102 O ARG A 8 8.403 -7.498 -4.524 1.00 0.00 O ATOM 103 CB ARG A 8 10.826 -7.892 -2.109 1.00 0.00 C ATOM 104 CG ARG A 8 12.318 -7.926 -1.843 1.00 0.00 C ATOM 105 CD ARG A 8 12.662 -7.413 -0.452 1.00 0.00 C ATOM 106 NE ARG A 8 14.084 -7.100 -0.332 1.00 0.00 N ATOM 107 CZ ARG A 8 14.703 -6.831 0.815 1.00 0.00 C ATOM 108 NH1 ARG A 8 14.066 -6.965 1.972 1.00 0.00 N ATOM 109 NH2 ARG A 8 15.974 -6.459 0.802 1.00 0.00 N ATOM 0 H ARG A 8 10.689 -6.482 -4.558 1.00 0.00 H new ATOM 0 HA ARG A 8 10.784 -9.308 -3.732 1.00 0.00 H new ATOM 0 HB2 ARG A 8 10.453 -6.887 -1.910 1.00 0.00 H new ATOM 0 HB3 ARG A 8 10.326 -8.562 -1.409 1.00 0.00 H new ATOM 0 HG2 ARG A 8 12.682 -8.947 -1.953 1.00 0.00 H new ATOM 0 HG3 ARG A 8 12.833 -7.322 -2.590 1.00 0.00 H new ATOM 0 HD2 ARG A 8 12.073 -6.522 -0.236 1.00 0.00 H new ATOM 0 HD3 ARG A 8 12.390 -8.163 0.291 1.00 0.00 H new ATOM 0 HE ARG A 8 14.641 -7.087 -1.186 1.00 0.00 H new ATOM 0 HH11 ARG A 8 13.095 -7.276 1.986 1.00 0.00 H new ATOM 0 HH12 ARG A 8 14.548 -6.757 2.847 1.00 0.00 H new ATOM 0 HH21 ARG A 8 16.473 -6.380 -0.084 1.00 0.00 H new ATOM 0 HH22 ARG A 8 16.454 -6.252 1.678 1.00 0.00 H new ATOM 123 N SER A 9 8.264 -9.004 -2.864 1.00 0.00 N ATOM 124 CA SER A 9 6.815 -9.007 -2.824 1.00 0.00 C ATOM 125 C SER A 9 6.355 -8.715 -1.400 1.00 0.00 C ATOM 126 O SER A 9 6.835 -9.330 -0.444 1.00 0.00 O ATOM 127 CB SER A 9 6.273 -10.353 -3.306 1.00 0.00 C ATOM 128 OG SER A 9 6.747 -10.652 -4.611 1.00 0.00 O ATOM 0 H SER A 9 8.702 -9.645 -2.203 1.00 0.00 H new ATOM 0 HA SER A 9 6.429 -8.235 -3.489 1.00 0.00 H new ATOM 0 HB2 SER A 9 6.576 -11.140 -2.615 1.00 0.00 H new ATOM 0 HB3 SER A 9 5.183 -10.332 -3.307 1.00 0.00 H new ATOM 0 HG SER A 9 6.389 -11.518 -4.899 1.00 0.00 H new ATOM 134 N TYR A 10 5.450 -7.761 -1.258 1.00 0.00 N ATOM 135 CA TYR A 10 5.025 -7.308 0.057 1.00 0.00 C ATOM 136 C TYR A 10 3.563 -7.655 0.304 1.00 0.00 C ATOM 137 O TYR A 10 2.760 -7.712 -0.628 1.00 0.00 O ATOM 138 CB TYR A 10 5.214 -5.790 0.188 1.00 0.00 C ATOM 139 CG TYR A 10 6.642 -5.312 0.011 1.00 0.00 C ATOM 140 CD1 TYR A 10 7.183 -5.133 -1.256 1.00 0.00 C ATOM 141 CD2 TYR A 10 7.442 -5.030 1.112 1.00 0.00 C ATOM 142 CE1 TYR A 10 8.479 -4.685 -1.423 1.00 0.00 C ATOM 143 CE2 TYR A 10 8.740 -4.584 0.952 1.00 0.00 C ATOM 144 CZ TYR A 10 9.254 -4.414 -0.316 1.00 0.00 C ATOM 145 OH TYR A 10 10.543 -3.962 -0.480 1.00 0.00 O ATOM 0 H TYR A 10 4.995 -7.285 -2.037 1.00 0.00 H new ATOM 0 HA TYR A 10 5.641 -7.816 0.799 1.00 0.00 H new ATOM 0 HB2 TYR A 10 4.585 -5.294 -0.551 1.00 0.00 H new ATOM 0 HB3 TYR A 10 4.859 -5.477 1.170 1.00 0.00 H new ATOM 0 HD1 TYR A 10 6.580 -5.348 -2.126 1.00 0.00 H new ATOM 0 HD2 TYR A 10 7.043 -5.161 2.107 1.00 0.00 H new ATOM 0 HE1 TYR A 10 8.883 -4.548 -2.415 1.00 0.00 H new ATOM 0 HE2 TYR A 10 9.350 -4.369 1.817 1.00 0.00 H new ATOM 0 HH TYR A 10 10.953 -3.817 0.398 1.00 0.00 H new ATOM 155 N ARG A 11 3.230 -7.892 1.557 1.00 0.00 N ATOM 156 CA ARG A 11 1.856 -8.124 1.955 1.00 0.00 C ATOM 157 C ARG A 11 1.326 -6.892 2.667 1.00 0.00 C ATOM 158 O ARG A 11 2.092 -6.131 3.261 1.00 0.00 O ATOM 159 CB ARG A 11 1.758 -9.326 2.895 1.00 0.00 C ATOM 160 CG ARG A 11 2.346 -10.610 2.332 1.00 0.00 C ATOM 161 CD ARG A 11 2.253 -11.748 3.339 1.00 0.00 C ATOM 162 NE ARG A 11 0.870 -12.027 3.723 1.00 0.00 N ATOM 163 CZ ARG A 11 0.515 -12.751 4.782 1.00 0.00 C ATOM 164 NH1 ARG A 11 1.437 -13.307 5.557 1.00 0.00 N ATOM 165 NH2 ARG A 11 -0.773 -12.926 5.055 1.00 0.00 N ATOM 0 H ARG A 11 3.901 -7.929 2.325 1.00 0.00 H new ATOM 0 HA ARG A 11 1.265 -8.329 1.062 1.00 0.00 H new ATOM 0 HB2 ARG A 11 2.268 -9.085 3.828 1.00 0.00 H new ATOM 0 HB3 ARG A 11 0.710 -9.497 3.139 1.00 0.00 H new ATOM 0 HG2 ARG A 11 1.818 -10.885 1.419 1.00 0.00 H new ATOM 0 HG3 ARG A 11 3.389 -10.446 2.060 1.00 0.00 H new ATOM 0 HD2 ARG A 11 2.699 -12.647 2.913 1.00 0.00 H new ATOM 0 HD3 ARG A 11 2.832 -11.495 4.227 1.00 0.00 H new ATOM 0 HE ARG A 11 0.127 -11.641 3.140 1.00 0.00 H new ATOM 0 HH11 ARG A 11 2.426 -13.181 5.343 1.00 0.00 H new ATOM 0 HH12 ARG A 11 1.157 -13.860 6.367 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -1.483 -12.507 4.455 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -1.052 -13.480 5.865 1.00 0.00 H new ATOM 179 N ILE A 12 0.025 -6.695 2.613 1.00 0.00 N ATOM 180 CA ILE A 12 -0.583 -5.579 3.309 1.00 0.00 C ATOM 181 C ILE A 12 -1.129 -6.050 4.647 1.00 0.00 C ATOM 182 O ILE A 12 -2.148 -6.737 4.697 1.00 0.00 O ATOM 183 CB ILE A 12 -1.733 -4.938 2.497 1.00 0.00 C ATOM 184 CG1 ILE A 12 -1.269 -4.611 1.074 1.00 0.00 C ATOM 185 CG2 ILE A 12 -2.241 -3.681 3.196 1.00 0.00 C ATOM 186 CD1 ILE A 12 -2.337 -3.972 0.210 1.00 0.00 C ATOM 0 H ILE A 12 -0.627 -7.287 2.099 1.00 0.00 H new ATOM 0 HA ILE A 12 0.191 -4.825 3.451 1.00 0.00 H new ATOM 0 HB ILE A 12 -2.553 -5.654 2.435 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -0.411 -3.941 1.127 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -0.928 -5.528 0.594 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -3.050 -3.242 2.612 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -2.609 -3.940 4.189 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -1.427 -2.961 3.287 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.931 -3.771 -0.781 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -3.188 -4.648 0.124 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -2.662 -3.036 0.665 1.00 0.00 H new ATOM 198 N THR A 13 -0.440 -5.699 5.722 1.00 0.00 N ATOM 199 CA THR A 13 -0.869 -6.070 7.059 1.00 0.00 C ATOM 200 C THR A 13 -2.156 -5.343 7.418 1.00 0.00 C ATOM 201 O THR A 13 -3.007 -5.863 8.146 1.00 0.00 O ATOM 202 CB THR A 13 0.209 -5.715 8.089 1.00 0.00 C ATOM 203 OG1 THR A 13 1.421 -5.368 7.409 1.00 0.00 O ATOM 204 CG2 THR A 13 0.459 -6.879 9.035 1.00 0.00 C ATOM 0 H THR A 13 0.422 -5.155 5.692 1.00 0.00 H new ATOM 0 HA THR A 13 -1.039 -7.147 7.073 1.00 0.00 H new ATOM 0 HB THR A 13 -0.136 -4.866 8.679 1.00 0.00 H new ATOM 0 HG1 THR A 13 1.437 -4.403 7.241 1.00 0.00 H new ATOM 0 HG21 THR A 13 1.228 -6.603 9.757 1.00 0.00 H new ATOM 0 HG22 THR A 13 -0.463 -7.123 9.563 1.00 0.00 H new ATOM 0 HG23 THR A 13 0.791 -7.746 8.465 1.00 0.00 H new ATOM 212 N GLY A 14 -2.295 -4.144 6.875 1.00 0.00 N ATOM 213 CA GLY A 14 -3.452 -3.325 7.143 1.00 0.00 C ATOM 214 C GLY A 14 -3.180 -1.873 6.833 1.00 0.00 C ATOM 215 O GLY A 14 -2.322 -1.560 6.006 1.00 0.00 O ATOM 0 H GLY A 14 -1.614 -3.721 6.244 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -4.294 -3.675 6.546 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -3.739 -3.428 8.190 1.00 0.00 H new ATOM 219 N TYR A 15 -3.889 -0.986 7.500 1.00 0.00 N ATOM 220 CA TYR A 15 -3.707 0.439 7.295 1.00 0.00 C ATOM 221 C TYR A 15 -2.828 1.004 8.396 1.00 0.00 C ATOM 222 O TYR A 15 -2.622 0.361 9.428 1.00 0.00 O ATOM 223 CB TYR A 15 -5.060 1.156 7.294 1.00 0.00 C ATOM 224 CG TYR A 15 -6.052 0.599 6.295 1.00 0.00 C ATOM 225 CD1 TYR A 15 -6.098 1.076 4.991 1.00 0.00 C ATOM 226 CD2 TYR A 15 -6.944 -0.401 6.659 1.00 0.00 C ATOM 227 CE1 TYR A 15 -7.003 0.570 4.081 1.00 0.00 C ATOM 228 CE2 TYR A 15 -7.851 -0.911 5.753 1.00 0.00 C ATOM 229 CZ TYR A 15 -7.878 -0.423 4.466 1.00 0.00 C ATOM 230 OH TYR A 15 -8.783 -0.927 3.560 1.00 0.00 O ATOM 0 H TYR A 15 -4.599 -1.226 8.191 1.00 0.00 H new ATOM 0 HA TYR A 15 -3.227 0.597 6.329 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -5.493 1.095 8.293 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -4.899 2.213 7.080 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -5.415 1.855 4.685 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -6.928 -0.786 7.668 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -7.026 0.951 3.071 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -8.537 -1.690 6.052 1.00 0.00 H new ATOM 0 HH TYR A 15 -8.334 -1.087 2.704 1.00 0.00 H new ATOM 240 N SER A 16 -2.280 2.179 8.167 1.00 0.00 N ATOM 241 CA SER A 16 -1.563 2.882 9.211 1.00 0.00 C ATOM 242 C SER A 16 -2.556 3.356 10.266 1.00 0.00 C ATOM 243 O SER A 16 -3.596 3.918 9.929 1.00 0.00 O ATOM 244 CB SER A 16 -0.797 4.068 8.626 1.00 0.00 C ATOM 245 OG SER A 16 -0.067 4.757 9.629 1.00 0.00 O ATOM 0 H SER A 16 -2.317 2.666 7.272 1.00 0.00 H new ATOM 0 HA SER A 16 -0.841 2.208 9.672 1.00 0.00 H new ATOM 0 HB2 SER A 16 -0.114 3.716 7.853 1.00 0.00 H new ATOM 0 HB3 SER A 16 -1.495 4.754 8.146 1.00 0.00 H new ATOM 0 HG SER A 16 0.470 5.465 9.215 1.00 0.00 H new ATOM 251 N PRO A 17 -2.261 3.129 11.554 1.00 0.00 N ATOM 252 CA PRO A 17 -3.162 3.506 12.650 1.00 0.00 C ATOM 253 C PRO A 17 -3.379 5.015 12.741 1.00 0.00 C ATOM 254 O PRO A 17 -4.216 5.485 13.515 1.00 0.00 O ATOM 255 CB PRO A 17 -2.449 2.985 13.904 1.00 0.00 C ATOM 256 CG PRO A 17 -1.022 2.831 13.504 1.00 0.00 C ATOM 257 CD PRO A 17 -1.037 2.474 12.047 1.00 0.00 C ATOM 0 HA PRO A 17 -4.159 3.089 12.511 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -2.552 3.683 14.735 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -2.871 2.035 14.231 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -0.467 3.754 13.674 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -0.534 2.053 14.091 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -0.149 2.841 11.533 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -1.069 1.395 11.897 1.00 0.00 H new ATOM 265 N ALA A 18 -2.633 5.765 11.941 1.00 0.00 N ATOM 266 CA ALA A 18 -2.758 7.212 11.907 1.00 0.00 C ATOM 267 C ALA A 18 -3.767 7.657 10.849 1.00 0.00 C ATOM 268 O ALA A 18 -3.975 8.850 10.646 1.00 0.00 O ATOM 269 CB ALA A 18 -1.402 7.847 11.640 1.00 0.00 C ATOM 0 H ALA A 18 -1.931 5.390 11.303 1.00 0.00 H new ATOM 0 HA ALA A 18 -3.123 7.543 12.879 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -1.507 8.932 11.616 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -0.707 7.567 12.431 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -1.020 7.498 10.681 1.00 0.00 H new ATOM 275 N ILE A 19 -4.386 6.698 10.166 1.00 0.00 N ATOM 276 CA ILE A 19 -5.380 7.015 9.148 1.00 0.00 C ATOM 277 C ILE A 19 -6.692 7.449 9.808 1.00 0.00 C ATOM 278 O ILE A 19 -7.037 6.969 10.890 1.00 0.00 O ATOM 279 CB ILE A 19 -5.624 5.813 8.199 1.00 0.00 C ATOM 280 CG1 ILE A 19 -6.374 6.262 6.941 1.00 0.00 C ATOM 281 CG2 ILE A 19 -6.395 4.703 8.908 1.00 0.00 C ATOM 282 CD1 ILE A 19 -6.543 5.164 5.913 1.00 0.00 C ATOM 0 H ILE A 19 -4.217 5.701 10.299 1.00 0.00 H new ATOM 0 HA ILE A 19 -4.994 7.839 8.547 1.00 0.00 H new ATOM 0 HB ILE A 19 -4.652 5.418 7.903 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -7.357 6.634 7.228 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -5.838 7.095 6.486 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -6.552 3.873 8.220 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -5.824 4.357 9.770 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -7.360 5.086 9.241 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -7.082 5.554 5.050 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -5.563 4.807 5.597 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -7.106 4.339 6.351 1.00 0.00 H new ATOM 294 N SER A 20 -7.413 8.364 9.167 1.00 0.00 N ATOM 295 CA SER A 20 -8.642 8.887 9.737 1.00 0.00 C ATOM 296 C SER A 20 -9.510 9.523 8.646 1.00 0.00 C ATOM 297 O SER A 20 -9.151 9.491 7.463 1.00 0.00 O ATOM 298 CB SER A 20 -8.303 9.914 10.828 1.00 0.00 C ATOM 299 OG SER A 20 -9.433 10.230 11.627 1.00 0.00 O ATOM 0 H SER A 20 -7.166 8.755 8.258 1.00 0.00 H new ATOM 0 HA SER A 20 -9.208 8.069 10.183 1.00 0.00 H new ATOM 0 HB2 SER A 20 -7.508 9.521 11.462 1.00 0.00 H new ATOM 0 HB3 SER A 20 -7.920 10.823 10.364 1.00 0.00 H new ATOM 0 HG SER A 20 -9.178 10.884 12.310 1.00 0.00 H new ATOM 305 N ASN A 21 -10.662 10.060 9.059 1.00 0.00 N ATOM 306 CA ASN A 21 -11.582 10.794 8.179 1.00 0.00 C ATOM 307 C ASN A 21 -12.287 9.860 7.187 1.00 0.00 C ATOM 308 O ASN A 21 -13.019 10.307 6.302 1.00 0.00 O ATOM 309 CB ASN A 21 -10.843 11.936 7.453 1.00 0.00 C ATOM 310 CG ASN A 21 -11.777 12.909 6.747 1.00 0.00 C ATOM 311 OD1 ASN A 21 -12.349 13.804 7.374 1.00 0.00 O ATOM 312 ND2 ASN A 21 -11.902 12.774 5.436 1.00 0.00 N ATOM 0 H ASN A 21 -10.987 9.998 10.024 1.00 0.00 H new ATOM 0 HA ASN A 21 -12.359 11.236 8.803 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -10.238 12.484 8.175 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -10.157 11.508 6.722 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -12.487 13.423 4.910 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -11.413 12.021 4.952 1.00 0.00 H new ATOM 319 N GLY A 22 -12.096 8.558 7.358 1.00 0.00 N ATOM 320 CA GLY A 22 -12.772 7.595 6.507 1.00 0.00 C ATOM 321 C GLY A 22 -11.994 7.265 5.251 1.00 0.00 C ATOM 322 O GLY A 22 -12.537 6.664 4.322 1.00 0.00 O ATOM 0 H GLY A 22 -11.487 8.151 8.068 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -12.945 6.679 7.071 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -13.750 7.988 6.229 1.00 0.00 H new ATOM 326 N TYR A 23 -10.717 7.641 5.219 1.00 0.00 N ATOM 327 CA TYR A 23 -9.878 7.376 4.052 1.00 0.00 C ATOM 328 C TYR A 23 -9.690 5.866 3.871 1.00 0.00 C ATOM 329 O TYR A 23 -9.434 5.388 2.769 1.00 0.00 O ATOM 330 CB TYR A 23 -8.520 8.078 4.189 1.00 0.00 C ATOM 331 CG TYR A 23 -7.833 8.342 2.864 1.00 0.00 C ATOM 332 CD1 TYR A 23 -7.140 7.337 2.203 1.00 0.00 C ATOM 333 CD2 TYR A 23 -7.891 9.595 2.269 1.00 0.00 C ATOM 334 CE1 TYR A 23 -6.521 7.574 0.992 1.00 0.00 C ATOM 335 CE2 TYR A 23 -7.271 9.839 1.057 1.00 0.00 C ATOM 336 CZ TYR A 23 -6.590 8.822 0.422 1.00 0.00 C ATOM 337 OH TYR A 23 -5.972 9.053 -0.788 1.00 0.00 O ATOM 0 H TYR A 23 -10.244 8.126 5.981 1.00 0.00 H new ATOM 0 HA TYR A 23 -10.376 7.774 3.168 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -8.662 9.025 4.710 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -7.866 7.467 4.811 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -7.084 6.353 2.644 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -8.429 10.392 2.761 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -5.984 6.780 0.494 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -7.320 10.821 0.610 1.00 0.00 H new ATOM 0 HH TYR A 23 -6.115 9.985 -1.056 1.00 0.00 H new ATOM 347 N ARG A 24 -9.838 5.127 4.967 1.00 0.00 N ATOM 348 CA ARG A 24 -9.829 3.667 4.951 1.00 0.00 C ATOM 349 C ARG A 24 -10.837 3.137 3.942 1.00 0.00 C ATOM 350 O ARG A 24 -10.521 2.282 3.118 1.00 0.00 O ATOM 351 CB ARG A 24 -10.190 3.162 6.347 1.00 0.00 C ATOM 352 CG ARG A 24 -10.394 1.662 6.448 1.00 0.00 C ATOM 353 CD ARG A 24 -11.143 1.308 7.727 1.00 0.00 C ATOM 354 NE ARG A 24 -11.359 -0.130 7.877 1.00 0.00 N ATOM 355 CZ ARG A 24 -12.561 -0.695 7.991 1.00 0.00 C ATOM 356 NH1 ARG A 24 -13.661 0.050 7.893 1.00 0.00 N ATOM 357 NH2 ARG A 24 -12.659 -2.001 8.202 1.00 0.00 N ATOM 0 H ARG A 24 -9.968 5.526 5.896 1.00 0.00 H new ATOM 0 HA ARG A 24 -8.838 3.315 4.665 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -9.401 3.455 7.039 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -11.102 3.661 6.674 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -10.953 1.306 5.582 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -9.428 1.156 6.434 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -10.582 1.678 8.585 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -12.106 1.818 7.732 1.00 0.00 H new ATOM 0 HE ARG A 24 -10.540 -0.738 7.896 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -13.584 1.054 7.731 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -14.580 -0.384 7.980 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -11.816 -2.570 8.277 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -13.577 -2.436 8.290 1.00 0.00 H new ATOM 371 N GLN A 25 -12.048 3.666 4.012 1.00 0.00 N ATOM 372 CA GLN A 25 -13.115 3.255 3.123 1.00 0.00 C ATOM 373 C GLN A 25 -12.803 3.619 1.676 1.00 0.00 C ATOM 374 O GLN A 25 -13.250 2.947 0.744 1.00 0.00 O ATOM 375 CB GLN A 25 -14.424 3.891 3.578 1.00 0.00 C ATOM 376 CG GLN A 25 -15.065 3.172 4.753 1.00 0.00 C ATOM 377 CD GLN A 25 -16.363 3.814 5.201 1.00 0.00 C ATOM 378 OE1 GLN A 25 -17.276 3.134 5.672 1.00 0.00 O ATOM 379 NE2 GLN A 25 -16.454 5.128 5.071 1.00 0.00 N ATOM 0 H GLN A 25 -12.315 4.387 4.682 1.00 0.00 H new ATOM 0 HA GLN A 25 -13.211 2.170 3.166 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -14.239 4.929 3.853 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -15.124 3.903 2.742 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -15.255 2.135 4.478 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -14.365 3.157 5.589 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -15.676 5.657 4.676 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -17.302 5.612 5.366 1.00 0.00 H new ATOM 388 N ARG A 26 -12.021 4.673 1.492 1.00 0.00 N ATOM 389 CA ARG A 26 -11.593 5.073 0.162 1.00 0.00 C ATOM 390 C ARG A 26 -10.525 4.114 -0.348 1.00 0.00 C ATOM 391 O ARG A 26 -10.542 3.708 -1.510 1.00 0.00 O ATOM 392 CB ARG A 26 -11.050 6.503 0.177 1.00 0.00 C ATOM 393 CG ARG A 26 -10.784 7.070 -1.209 1.00 0.00 C ATOM 394 CD ARG A 26 -12.056 7.097 -2.038 1.00 0.00 C ATOM 395 NE ARG A 26 -11.837 7.638 -3.377 1.00 0.00 N ATOM 396 CZ ARG A 26 -12.809 7.821 -4.271 1.00 0.00 C ATOM 397 NH1 ARG A 26 -14.058 7.472 -3.981 1.00 0.00 N ATOM 398 NH2 ARG A 26 -12.532 8.347 -5.457 1.00 0.00 N ATOM 0 H ARG A 26 -11.671 5.265 2.246 1.00 0.00 H new ATOM 0 HA ARG A 26 -12.454 5.039 -0.505 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -11.762 7.147 0.693 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -10.125 6.525 0.753 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -10.381 8.079 -1.122 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -10.029 6.467 -1.714 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -12.455 6.086 -2.118 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -12.808 7.697 -1.525 1.00 0.00 H new ATOM 0 HE ARG A 26 -10.885 7.890 -3.644 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -14.275 7.063 -3.072 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -14.799 7.613 -4.667 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -11.574 8.612 -5.686 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -13.277 8.486 -6.140 1.00 0.00 H new ATOM 412 N LEU A 27 -9.619 3.735 0.544 1.00 0.00 N ATOM 413 CA LEU A 27 -8.532 2.825 0.203 1.00 0.00 C ATOM 414 C LEU A 27 -9.070 1.439 -0.118 1.00 0.00 C ATOM 415 O LEU A 27 -8.634 0.800 -1.076 1.00 0.00 O ATOM 416 CB LEU A 27 -7.514 2.753 1.343 1.00 0.00 C ATOM 417 CG LEU A 27 -6.620 3.985 1.484 1.00 0.00 C ATOM 418 CD1 LEU A 27 -5.648 3.814 2.639 1.00 0.00 C ATOM 419 CD2 LEU A 27 -5.863 4.246 0.191 1.00 0.00 C ATOM 0 H LEU A 27 -9.616 4.046 1.515 1.00 0.00 H new ATOM 0 HA LEU A 27 -8.031 3.211 -0.684 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -8.049 2.601 2.280 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -6.882 1.878 1.192 1.00 0.00 H new ATOM 0 HG LEU A 27 -7.256 4.845 1.694 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -5.021 4.702 2.722 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -6.205 3.675 3.566 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -5.019 2.942 2.459 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -5.232 5.127 0.310 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -5.241 3.383 -0.047 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -6.573 4.415 -0.618 1.00 0.00 H new ATOM 431 N PHE A 28 -10.029 0.990 0.679 1.00 0.00 N ATOM 432 CA PHE A 28 -10.675 -0.295 0.445 1.00 0.00 C ATOM 433 C PHE A 28 -11.337 -0.301 -0.927 1.00 0.00 C ATOM 434 O PHE A 28 -11.232 -1.267 -1.681 1.00 0.00 O ATOM 435 CB PHE A 28 -11.718 -0.567 1.525 1.00 0.00 C ATOM 436 CG PHE A 28 -12.185 -1.997 1.562 1.00 0.00 C ATOM 437 CD1 PHE A 28 -11.485 -2.946 2.290 1.00 0.00 C ATOM 438 CD2 PHE A 28 -13.320 -2.393 0.869 1.00 0.00 C ATOM 439 CE1 PHE A 28 -11.907 -4.261 2.329 1.00 0.00 C ATOM 440 CE2 PHE A 28 -13.746 -3.706 0.905 1.00 0.00 C ATOM 441 CZ PHE A 28 -13.039 -4.641 1.636 1.00 0.00 C ATOM 0 H PHE A 28 -10.377 1.496 1.493 1.00 0.00 H new ATOM 0 HA PHE A 28 -9.919 -1.079 0.481 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -11.300 -0.304 2.497 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -12.577 0.083 1.361 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -10.599 -2.654 2.834 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -13.876 -1.666 0.295 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -11.352 -4.990 2.901 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -14.631 -4.002 0.362 1.00 0.00 H new ATOM 0 HZ PHE A 28 -13.371 -5.668 1.665 1.00 0.00 H new ATOM 451 N SER A 29 -12.002 0.803 -1.244 1.00 0.00 N ATOM 452 CA SER A 29 -12.656 0.977 -2.536 1.00 0.00 C ATOM 453 C SER A 29 -11.640 0.965 -3.680 1.00 0.00 C ATOM 454 O SER A 29 -11.947 0.548 -4.797 1.00 0.00 O ATOM 455 CB SER A 29 -13.434 2.292 -2.550 1.00 0.00 C ATOM 456 OG SER A 29 -14.469 2.284 -1.578 1.00 0.00 O ATOM 0 H SER A 29 -12.103 1.600 -0.616 1.00 0.00 H new ATOM 0 HA SER A 29 -13.342 0.143 -2.683 1.00 0.00 H new ATOM 0 HB2 SER A 29 -12.755 3.122 -2.356 1.00 0.00 H new ATOM 0 HB3 SER A 29 -13.861 2.455 -3.539 1.00 0.00 H new ATOM 0 HG SER A 29 -14.106 2.563 -0.711 1.00 0.00 H new ATOM 462 N MET A 30 -10.433 1.429 -3.389 1.00 0.00 N ATOM 463 CA MET A 30 -9.360 1.468 -4.379 1.00 0.00 C ATOM 464 C MET A 30 -8.701 0.101 -4.533 1.00 0.00 C ATOM 465 O MET A 30 -7.994 -0.145 -5.510 1.00 0.00 O ATOM 466 CB MET A 30 -8.312 2.518 -3.997 1.00 0.00 C ATOM 467 CG MET A 30 -8.806 3.950 -4.148 1.00 0.00 C ATOM 468 SD MET A 30 -7.593 5.175 -3.620 1.00 0.00 S ATOM 469 CE MET A 30 -6.240 4.829 -4.744 1.00 0.00 C ATOM 0 H MET A 30 -10.169 1.786 -2.471 1.00 0.00 H new ATOM 0 HA MET A 30 -9.802 1.743 -5.337 1.00 0.00 H new ATOM 0 HB2 MET A 30 -8.005 2.355 -2.964 1.00 0.00 H new ATOM 0 HB3 MET A 30 -7.427 2.380 -4.618 1.00 0.00 H new ATOM 0 HG2 MET A 30 -9.066 4.131 -5.191 1.00 0.00 H new ATOM 0 HG3 MET A 30 -9.719 4.077 -3.566 1.00 0.00 H new ATOM 0 HE1 MET A 30 -5.560 5.681 -4.768 1.00 0.00 H new ATOM 0 HE2 MET A 30 -5.702 3.944 -4.404 1.00 0.00 H new ATOM 0 HE3 MET A 30 -6.634 4.652 -5.745 1.00 0.00 H new ATOM 479 N GLY A 31 -8.935 -0.782 -3.572 1.00 0.00 N ATOM 480 CA GLY A 31 -8.405 -2.127 -3.665 1.00 0.00 C ATOM 481 C GLY A 31 -7.285 -2.382 -2.678 1.00 0.00 C ATOM 482 O GLY A 31 -6.598 -3.399 -2.754 1.00 0.00 O ATOM 0 H GLY A 31 -9.481 -0.592 -2.732 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -9.208 -2.843 -3.490 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -8.039 -2.300 -4.677 1.00 0.00 H new ATOM 486 N LEU A 32 -7.102 -1.462 -1.749 1.00 0.00 N ATOM 487 CA LEU A 32 -6.069 -1.598 -0.737 1.00 0.00 C ATOM 488 C LEU A 32 -6.685 -2.063 0.573 1.00 0.00 C ATOM 489 O LEU A 32 -7.280 -1.274 1.309 1.00 0.00 O ATOM 490 CB LEU A 32 -5.336 -0.268 -0.546 1.00 0.00 C ATOM 491 CG LEU A 32 -4.661 0.280 -1.806 1.00 0.00 C ATOM 492 CD1 LEU A 32 -4.059 1.649 -1.541 1.00 0.00 C ATOM 493 CD2 LEU A 32 -3.593 -0.681 -2.304 1.00 0.00 C ATOM 0 H LEU A 32 -7.657 -0.610 -1.674 1.00 0.00 H new ATOM 0 HA LEU A 32 -5.345 -2.344 -1.066 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -6.047 0.473 -0.180 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.580 -0.394 0.229 1.00 0.00 H new ATOM 0 HG LEU A 32 -5.421 0.382 -2.580 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -3.584 2.020 -2.450 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.845 2.339 -1.235 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.315 1.572 -0.748 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.126 -0.273 -3.200 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.837 -0.818 -1.531 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.050 -1.642 -2.539 1.00 0.00 H new ATOM 505 N LEU A 33 -6.567 -3.352 0.845 1.00 0.00 N ATOM 506 CA LEU A 33 -7.154 -3.939 2.032 1.00 0.00 C ATOM 507 C LEU A 33 -6.139 -4.815 2.763 1.00 0.00 C ATOM 508 O LEU A 33 -5.178 -5.299 2.158 1.00 0.00 O ATOM 509 CB LEU A 33 -8.387 -4.776 1.665 1.00 0.00 C ATOM 510 CG LEU A 33 -8.128 -6.002 0.779 1.00 0.00 C ATOM 511 CD1 LEU A 33 -9.259 -7.004 0.927 1.00 0.00 C ATOM 512 CD2 LEU A 33 -7.988 -5.600 -0.681 1.00 0.00 C ATOM 0 H LEU A 33 -6.065 -4.014 0.253 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.457 -3.126 2.692 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.861 -5.112 2.587 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -9.102 -4.130 1.157 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.194 -6.460 1.103 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -9.064 -7.869 0.294 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -9.328 -7.324 1.967 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -10.198 -6.539 0.627 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -7.805 -6.487 -1.287 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -8.906 -5.116 -1.015 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -7.153 -4.908 -0.789 1.00 0.00 H new ATOM 524 N PRO A 34 -6.334 -5.023 4.076 1.00 0.00 N ATOM 525 CA PRO A 34 -5.482 -5.908 4.872 1.00 0.00 C ATOM 526 C PRO A 34 -5.598 -7.356 4.412 1.00 0.00 C ATOM 527 O PRO A 34 -6.697 -7.910 4.335 1.00 0.00 O ATOM 528 CB PRO A 34 -6.021 -5.760 6.301 1.00 0.00 C ATOM 529 CG PRO A 34 -6.854 -4.523 6.282 1.00 0.00 C ATOM 530 CD PRO A 34 -7.396 -4.411 4.888 1.00 0.00 C ATOM 0 HA PRO A 34 -4.427 -5.648 4.783 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -6.613 -6.628 6.590 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -5.207 -5.675 7.021 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -7.662 -4.585 7.011 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -6.258 -3.647 6.541 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -8.344 -4.939 4.779 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -7.574 -3.373 4.605 1.00 0.00 H new ATOM 538 N GLY A 35 -4.466 -7.962 4.097 1.00 0.00 N ATOM 539 CA GLY A 35 -4.466 -9.336 3.646 1.00 0.00 C ATOM 540 C GLY A 35 -4.129 -9.472 2.177 1.00 0.00 C ATOM 541 O GLY A 35 -4.070 -10.582 1.652 1.00 0.00 O ATOM 0 H GLY A 35 -3.545 -7.526 4.146 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -3.746 -9.906 4.233 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -5.447 -9.774 3.831 1.00 0.00 H new ATOM 545 N ALA A 36 -3.906 -8.348 1.507 1.00 0.00 N ATOM 546 CA ALA A 36 -3.551 -8.358 0.105 1.00 0.00 C ATOM 547 C ALA A 36 -2.041 -8.467 -0.050 1.00 0.00 C ATOM 548 O ALA A 36 -1.313 -8.656 0.930 1.00 0.00 O ATOM 549 CB ALA A 36 -4.079 -7.107 -0.583 1.00 0.00 C ATOM 0 H ALA A 36 -3.967 -7.417 1.920 1.00 0.00 H new ATOM 0 HA ALA A 36 -4.009 -9.225 -0.371 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -3.804 -7.128 -1.638 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -5.165 -7.072 -0.491 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -3.647 -6.223 -0.113 1.00 0.00 H new ATOM 555 N ALA A 37 -1.587 -8.336 -1.277 1.00 0.00 N ATOM 556 CA ALA A 37 -0.177 -8.468 -1.606 1.00 0.00 C ATOM 557 C ALA A 37 0.131 -7.763 -2.919 1.00 0.00 C ATOM 558 O ALA A 37 -0.710 -7.715 -3.816 1.00 0.00 O ATOM 559 CB ALA A 37 0.210 -9.937 -1.695 1.00 0.00 C ATOM 0 H ALA A 37 -2.183 -8.134 -2.080 1.00 0.00 H new ATOM 0 HA ALA A 37 0.408 -7.999 -0.814 1.00 0.00 H new ATOM 0 HB1 ALA A 37 1.268 -10.020 -1.942 1.00 0.00 H new ATOM 0 HB2 ALA A 37 0.022 -10.422 -0.737 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -0.383 -10.423 -2.470 1.00 0.00 H new ATOM 565 N LEU A 38 1.331 -7.214 -3.016 1.00 0.00 N ATOM 566 CA LEU A 38 1.772 -6.508 -4.211 1.00 0.00 C ATOM 567 C LEU A 38 3.211 -6.885 -4.535 1.00 0.00 C ATOM 568 O LEU A 38 4.047 -7.023 -3.637 1.00 0.00 O ATOM 569 CB LEU A 38 1.683 -4.989 -4.014 1.00 0.00 C ATOM 570 CG LEU A 38 0.286 -4.433 -3.723 1.00 0.00 C ATOM 571 CD1 LEU A 38 0.369 -2.960 -3.359 1.00 0.00 C ATOM 572 CD2 LEU A 38 -0.625 -4.624 -4.927 1.00 0.00 C ATOM 0 H LEU A 38 2.027 -7.244 -2.271 1.00 0.00 H new ATOM 0 HA LEU A 38 1.118 -6.796 -5.034 1.00 0.00 H new ATOM 0 HB2 LEU A 38 2.343 -4.709 -3.192 1.00 0.00 H new ATOM 0 HB3 LEU A 38 2.067 -4.503 -4.911 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.133 -4.980 -2.879 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.632 -2.579 -3.155 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.991 -2.839 -2.472 1.00 0.00 H new ATOM 0 HD13 LEU A 38 0.807 -2.404 -4.188 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -1.613 -4.223 -4.703 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -0.207 -4.099 -5.786 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.708 -5.687 -5.156 1.00 0.00 H new ATOM 584 N ARG A 39 3.490 -7.058 -5.814 1.00 0.00 N ATOM 585 CA ARG A 39 4.843 -7.334 -6.269 1.00 0.00 C ATOM 586 C ARG A 39 5.444 -6.057 -6.835 1.00 0.00 C ATOM 587 O ARG A 39 4.856 -5.430 -7.717 1.00 0.00 O ATOM 588 CB ARG A 39 4.849 -8.435 -7.333 1.00 0.00 C ATOM 589 CG ARG A 39 6.241 -8.961 -7.652 1.00 0.00 C ATOM 590 CD ARG A 39 6.222 -10.006 -8.759 1.00 0.00 C ATOM 591 NE ARG A 39 5.300 -11.107 -8.479 1.00 0.00 N ATOM 592 CZ ARG A 39 5.647 -12.251 -7.887 1.00 0.00 C ATOM 593 NH1 ARG A 39 6.901 -12.460 -7.503 1.00 0.00 N ATOM 594 NH2 ARG A 39 4.735 -13.195 -7.701 1.00 0.00 N ATOM 0 H ARG A 39 2.796 -7.012 -6.560 1.00 0.00 H new ATOM 0 HA ARG A 39 5.438 -7.682 -5.425 1.00 0.00 H new ATOM 0 HB2 ARG A 39 4.226 -9.262 -6.993 1.00 0.00 H new ATOM 0 HB3 ARG A 39 4.396 -8.049 -8.247 1.00 0.00 H new ATOM 0 HG2 ARG A 39 6.882 -8.131 -7.949 1.00 0.00 H new ATOM 0 HG3 ARG A 39 6.678 -9.395 -6.753 1.00 0.00 H new ATOM 0 HD2 ARG A 39 5.939 -9.530 -9.698 1.00 0.00 H new ATOM 0 HD3 ARG A 39 7.227 -10.405 -8.894 1.00 0.00 H new ATOM 0 HE ARG A 39 4.325 -10.992 -8.755 1.00 0.00 H new ATOM 0 HH11 ARG A 39 7.609 -11.742 -7.660 1.00 0.00 H new ATOM 0 HH12 ARG A 39 7.156 -13.338 -7.051 1.00 0.00 H new ATOM 0 HH21 ARG A 39 3.775 -13.044 -8.010 1.00 0.00 H new ATOM 0 HH22 ARG A 39 4.994 -14.072 -7.249 1.00 0.00 H new ATOM 608 N VAL A 40 6.596 -5.659 -6.314 1.00 0.00 N ATOM 609 CA VAL A 40 7.225 -4.419 -6.743 1.00 0.00 C ATOM 610 C VAL A 40 7.878 -4.593 -8.108 1.00 0.00 C ATOM 611 O VAL A 40 8.704 -5.482 -8.318 1.00 0.00 O ATOM 612 CB VAL A 40 8.251 -3.892 -5.705 1.00 0.00 C ATOM 613 CG1 VAL A 40 9.520 -4.721 -5.678 1.00 0.00 C ATOM 614 CG2 VAL A 40 8.565 -2.429 -5.962 1.00 0.00 C ATOM 0 H VAL A 40 7.111 -6.173 -5.599 1.00 0.00 H new ATOM 0 HA VAL A 40 6.438 -3.669 -6.824 1.00 0.00 H new ATOM 0 HB VAL A 40 7.792 -3.985 -4.721 1.00 0.00 H new ATOM 0 HG11 VAL A 40 10.206 -4.312 -4.936 1.00 0.00 H new ATOM 0 HG12 VAL A 40 9.276 -5.751 -5.418 1.00 0.00 H new ATOM 0 HG13 VAL A 40 9.992 -4.697 -6.660 1.00 0.00 H new ATOM 0 HG21 VAL A 40 9.286 -2.077 -5.224 1.00 0.00 H new ATOM 0 HG22 VAL A 40 8.984 -2.317 -6.962 1.00 0.00 H new ATOM 0 HG23 VAL A 40 7.650 -1.841 -5.884 1.00 0.00 H new ATOM 624 N VAL A 41 7.461 -3.765 -9.047 1.00 0.00 N ATOM 625 CA VAL A 41 8.025 -3.796 -10.383 1.00 0.00 C ATOM 626 C VAL A 41 9.164 -2.791 -10.501 1.00 0.00 C ATOM 627 O VAL A 41 10.273 -3.147 -10.900 1.00 0.00 O ATOM 628 CB VAL A 41 6.959 -3.499 -11.463 1.00 0.00 C ATOM 629 CG1 VAL A 41 7.562 -3.600 -12.856 1.00 0.00 C ATOM 630 CG2 VAL A 41 5.772 -4.440 -11.322 1.00 0.00 C ATOM 0 H VAL A 41 6.734 -3.063 -8.909 1.00 0.00 H new ATOM 0 HA VAL A 41 8.406 -4.803 -10.550 1.00 0.00 H new ATOM 0 HB VAL A 41 6.604 -2.479 -11.318 1.00 0.00 H new ATOM 0 HG11 VAL A 41 6.795 -3.387 -13.601 1.00 0.00 H new ATOM 0 HG12 VAL A 41 8.373 -2.879 -12.954 1.00 0.00 H new ATOM 0 HG13 VAL A 41 7.950 -4.606 -13.012 1.00 0.00 H new ATOM 0 HG21 VAL A 41 5.034 -4.213 -12.092 1.00 0.00 H new ATOM 0 HG22 VAL A 41 6.109 -5.470 -11.435 1.00 0.00 H new ATOM 0 HG23 VAL A 41 5.321 -4.312 -10.338 1.00 0.00 H new ATOM 640 N ARG A 42 8.896 -1.535 -10.138 1.00 0.00 N ATOM 641 CA ARG A 42 9.884 -0.467 -10.314 1.00 0.00 C ATOM 642 C ARG A 42 9.709 0.666 -9.306 1.00 0.00 C ATOM 643 O ARG A 42 8.592 1.056 -8.978 1.00 0.00 O ATOM 644 CB ARG A 42 9.795 0.135 -11.722 1.00 0.00 C ATOM 645 CG ARG A 42 10.251 -0.791 -12.833 1.00 0.00 C ATOM 646 CD ARG A 42 10.164 -0.120 -14.193 1.00 0.00 C ATOM 647 NE ARG A 42 10.559 -1.021 -15.273 1.00 0.00 N ATOM 648 CZ ARG A 42 10.816 -0.622 -16.520 1.00 0.00 C ATOM 649 NH1 ARG A 42 10.768 0.670 -16.841 1.00 0.00 N ATOM 650 NH2 ARG A 42 11.139 -1.512 -17.442 1.00 0.00 N ATOM 0 H ARG A 42 8.013 -1.234 -9.725 1.00 0.00 H new ATOM 0 HA ARG A 42 10.857 -0.933 -10.156 1.00 0.00 H new ATOM 0 HB2 ARG A 42 8.763 0.430 -11.913 1.00 0.00 H new ATOM 0 HB3 ARG A 42 10.397 1.043 -11.754 1.00 0.00 H new ATOM 0 HG2 ARG A 42 11.278 -1.105 -12.647 1.00 0.00 H new ATOM 0 HG3 ARG A 42 9.637 -1.692 -12.831 1.00 0.00 H new ATOM 0 HD2 ARG A 42 9.144 0.225 -14.363 1.00 0.00 H new ATOM 0 HD3 ARG A 42 10.804 0.762 -14.204 1.00 0.00 H new ATOM 0 HE ARG A 42 10.643 -2.015 -15.061 1.00 0.00 H new ATOM 0 HH11 ARG A 42 10.533 1.364 -16.131 1.00 0.00 H new ATOM 0 HH12 ARG A 42 10.966 0.966 -17.797 1.00 0.00 H new ATOM 0 HH21 ARG A 42 11.191 -2.501 -17.200 1.00 0.00 H new ATOM 0 HH22 ARG A 42 11.336 -1.210 -18.396 1.00 0.00 H new ATOM 664 N ILE A 43 10.833 1.177 -8.819 1.00 0.00 N ATOM 665 CA ILE A 43 10.875 2.452 -8.111 1.00 0.00 C ATOM 666 C ILE A 43 11.736 3.399 -8.950 1.00 0.00 C ATOM 667 O ILE A 43 12.697 2.956 -9.585 1.00 0.00 O ATOM 668 CB ILE A 43 11.494 2.351 -6.683 1.00 0.00 C ATOM 669 CG1 ILE A 43 10.748 1.329 -5.815 1.00 0.00 C ATOM 670 CG2 ILE A 43 11.505 3.716 -5.994 1.00 0.00 C ATOM 671 CD1 ILE A 43 11.170 -0.107 -6.052 1.00 0.00 C ATOM 0 H ILE A 43 11.741 0.720 -8.903 1.00 0.00 H new ATOM 0 HA ILE A 43 9.851 2.804 -7.981 1.00 0.00 H new ATOM 0 HB ILE A 43 12.522 2.009 -6.801 1.00 0.00 H new ATOM 0 HG12 ILE A 43 10.907 1.575 -4.765 1.00 0.00 H new ATOM 0 HG13 ILE A 43 9.678 1.418 -6.005 1.00 0.00 H new ATOM 0 HG21 ILE A 43 11.941 3.618 -5.000 1.00 0.00 H new ATOM 0 HG22 ILE A 43 12.097 4.416 -6.583 1.00 0.00 H new ATOM 0 HG23 ILE A 43 10.484 4.088 -5.907 1.00 0.00 H new ATOM 0 HD11 ILE A 43 10.597 -0.767 -5.401 1.00 0.00 H new ATOM 0 HD12 ILE A 43 10.985 -0.374 -7.093 1.00 0.00 H new ATOM 0 HD13 ILE A 43 12.232 -0.215 -5.833 1.00 0.00 H new ATOM 683 N ALA A 44 11.393 4.671 -8.987 1.00 0.00 N ATOM 684 CA ALA A 44 12.179 5.643 -9.740 1.00 0.00 C ATOM 685 C ALA A 44 13.390 6.108 -8.933 1.00 0.00 C ATOM 686 O ALA A 44 13.274 6.370 -7.736 1.00 0.00 O ATOM 687 CB ALA A 44 11.324 6.841 -10.127 1.00 0.00 C ATOM 0 H ALA A 44 10.580 5.060 -8.509 1.00 0.00 H new ATOM 0 HA ALA A 44 12.533 5.154 -10.648 1.00 0.00 H new ATOM 0 HB1 ALA A 44 11.929 7.554 -10.688 1.00 0.00 H new ATOM 0 HB2 ALA A 44 10.490 6.508 -10.745 1.00 0.00 H new ATOM 0 HB3 ALA A 44 10.940 7.320 -9.226 1.00 0.00 H new ATOM 693 N PRO A 45 14.559 6.240 -9.590 1.00 0.00 N ATOM 694 CA PRO A 45 15.805 6.690 -8.941 1.00 0.00 C ATOM 695 C PRO A 45 15.728 8.142 -8.466 1.00 0.00 C ATOM 696 O PRO A 45 16.650 8.655 -7.829 1.00 0.00 O ATOM 697 CB PRO A 45 16.861 6.541 -10.045 1.00 0.00 C ATOM 698 CG PRO A 45 16.093 6.574 -11.320 1.00 0.00 C ATOM 699 CD PRO A 45 14.762 5.944 -11.020 1.00 0.00 C ATOM 0 HA PRO A 45 16.024 6.111 -8.044 1.00 0.00 H new ATOM 0 HB2 PRO A 45 17.592 7.349 -10.004 1.00 0.00 H new ATOM 0 HB3 PRO A 45 17.412 5.606 -9.940 1.00 0.00 H new ATOM 0 HG2 PRO A 45 15.969 7.597 -11.674 1.00 0.00 H new ATOM 0 HG3 PRO A 45 16.616 6.026 -12.104 1.00 0.00 H new ATOM 0 HD2 PRO A 45 13.969 6.369 -11.635 1.00 0.00 H new ATOM 0 HD3 PRO A 45 14.773 4.871 -11.211 1.00 0.00 H new ATOM 707 N LEU A 46 14.623 8.802 -8.798 1.00 0.00 N ATOM 708 CA LEU A 46 14.352 10.153 -8.321 1.00 0.00 C ATOM 709 C LEU A 46 14.162 10.149 -6.817 1.00 0.00 C ATOM 710 O LEU A 46 14.568 11.077 -6.117 1.00 0.00 O ATOM 711 CB LEU A 46 13.090 10.723 -8.981 1.00 0.00 C ATOM 712 CG LEU A 46 13.266 11.259 -10.404 1.00 0.00 C ATOM 713 CD1 LEU A 46 14.439 12.227 -10.467 1.00 0.00 C ATOM 714 CD2 LEU A 46 13.447 10.119 -11.393 1.00 0.00 C ATOM 0 H LEU A 46 13.895 8.419 -9.401 1.00 0.00 H new ATOM 0 HA LEU A 46 15.206 10.778 -8.584 1.00 0.00 H new ATOM 0 HB2 LEU A 46 12.328 9.943 -8.998 1.00 0.00 H new ATOM 0 HB3 LEU A 46 12.707 11.529 -8.354 1.00 0.00 H new ATOM 0 HG LEU A 46 12.362 11.801 -10.681 1.00 0.00 H new ATOM 0 HD11 LEU A 46 14.550 12.598 -11.486 1.00 0.00 H new ATOM 0 HD12 LEU A 46 14.256 13.064 -9.793 1.00 0.00 H new ATOM 0 HD13 LEU A 46 15.352 11.712 -10.167 1.00 0.00 H new ATOM 0 HD21 LEU A 46 13.570 10.525 -12.397 1.00 0.00 H new ATOM 0 HD22 LEU A 46 14.331 9.541 -11.124 1.00 0.00 H new ATOM 0 HD23 LEU A 46 12.570 9.473 -11.368 1.00 0.00 H new ATOM 726 N GLY A 47 13.553 9.085 -6.335 1.00 0.00 N ATOM 727 CA GLY A 47 13.231 8.978 -4.938 1.00 0.00 C ATOM 728 C GLY A 47 12.132 7.985 -4.714 1.00 0.00 C ATOM 729 O GLY A 47 12.393 6.851 -4.312 1.00 0.00 O ATOM 0 H GLY A 47 13.273 8.282 -6.898 1.00 0.00 H new ATOM 0 HA2 GLY A 47 14.117 8.677 -4.379 1.00 0.00 H new ATOM 0 HA3 GLY A 47 12.929 9.953 -4.555 1.00 0.00 H new ATOM 733 N ASP A 48 10.900 8.391 -4.995 1.00 0.00 N ATOM 734 CA ASP A 48 9.787 7.487 -4.820 1.00 0.00 C ATOM 735 C ASP A 48 8.594 7.779 -5.709 1.00 0.00 C ATOM 736 O ASP A 48 8.056 8.887 -5.745 1.00 0.00 O ATOM 737 CB ASP A 48 9.336 7.586 -3.362 1.00 0.00 C ATOM 738 CG ASP A 48 7.888 7.170 -3.141 1.00 0.00 C ATOM 739 OD1 ASP A 48 6.993 8.048 -3.256 1.00 0.00 O ATOM 740 OD2 ASP A 48 7.638 5.990 -2.840 1.00 0.00 O ATOM 0 H ASP A 48 10.656 9.320 -5.337 1.00 0.00 H new ATOM 0 HA ASP A 48 10.137 6.493 -5.097 1.00 0.00 H new ATOM 0 HB2 ASP A 48 9.983 6.960 -2.747 1.00 0.00 H new ATOM 0 HB3 ASP A 48 9.467 8.612 -3.019 1.00 0.00 H new ATOM 745 N PRO A 49 8.270 6.782 -6.521 1.00 0.00 N ATOM 746 CA PRO A 49 6.957 6.234 -6.719 1.00 0.00 C ATOM 747 C PRO A 49 7.004 4.763 -6.321 1.00 0.00 C ATOM 748 O PRO A 49 8.033 4.276 -5.842 1.00 0.00 O ATOM 749 CB PRO A 49 6.812 6.349 -8.230 1.00 0.00 C ATOM 750 CG PRO A 49 8.223 6.202 -8.747 1.00 0.00 C ATOM 751 CD PRO A 49 9.145 6.232 -7.539 1.00 0.00 C ATOM 0 HA PRO A 49 6.155 6.714 -6.158 1.00 0.00 H new ATOM 0 HB2 PRO A 49 6.159 5.573 -8.628 1.00 0.00 H new ATOM 0 HB3 PRO A 49 6.380 7.308 -8.517 1.00 0.00 H new ATOM 0 HG2 PRO A 49 8.337 5.267 -9.296 1.00 0.00 H new ATOM 0 HG3 PRO A 49 8.466 7.009 -9.438 1.00 0.00 H new ATOM 0 HD2 PRO A 49 9.508 5.239 -7.275 1.00 0.00 H new ATOM 0 HD3 PRO A 49 10.022 6.857 -7.708 1.00 0.00 H new ATOM 759 N ILE A 50 5.944 4.039 -6.546 1.00 0.00 N ATOM 760 CA ILE A 50 6.005 2.602 -6.373 1.00 0.00 C ATOM 761 C ILE A 50 5.184 1.915 -7.451 1.00 0.00 C ATOM 762 O ILE A 50 3.957 1.872 -7.384 1.00 0.00 O ATOM 763 CB ILE A 50 5.520 2.142 -4.970 1.00 0.00 C ATOM 764 CG1 ILE A 50 6.349 2.798 -3.858 1.00 0.00 C ATOM 765 CG2 ILE A 50 5.602 0.626 -4.858 1.00 0.00 C ATOM 766 CD1 ILE A 50 5.945 2.380 -2.457 1.00 0.00 C ATOM 0 H ILE A 50 5.040 4.404 -6.844 1.00 0.00 H new ATOM 0 HA ILE A 50 7.053 2.316 -6.459 1.00 0.00 H new ATOM 0 HB ILE A 50 4.482 2.454 -4.850 1.00 0.00 H new ATOM 0 HG12 ILE A 50 7.400 2.553 -4.010 1.00 0.00 H new ATOM 0 HG13 ILE A 50 6.259 3.881 -3.943 1.00 0.00 H new ATOM 0 HG21 ILE A 50 5.260 0.315 -3.871 1.00 0.00 H new ATOM 0 HG22 ILE A 50 4.971 0.170 -5.621 1.00 0.00 H new ATOM 0 HG23 ILE A 50 6.634 0.306 -5.002 1.00 0.00 H new ATOM 0 HD11 ILE A 50 6.578 2.887 -1.729 1.00 0.00 H new ATOM 0 HD12 ILE A 50 4.904 2.650 -2.283 1.00 0.00 H new ATOM 0 HD13 ILE A 50 6.062 1.302 -2.351 1.00 0.00 H new ATOM 778 N GLN A 51 5.871 1.413 -8.462 1.00 0.00 N ATOM 779 CA GLN A 51 5.220 0.701 -9.545 1.00 0.00 C ATOM 780 C GLN A 51 5.100 -0.773 -9.165 1.00 0.00 C ATOM 781 O GLN A 51 6.105 -1.463 -9.033 1.00 0.00 O ATOM 782 CB GLN A 51 6.028 0.872 -10.838 1.00 0.00 C ATOM 783 CG GLN A 51 5.189 0.914 -12.111 1.00 0.00 C ATOM 784 CD GLN A 51 4.578 -0.425 -12.465 1.00 0.00 C ATOM 785 OE1 GLN A 51 5.176 -1.221 -13.183 1.00 0.00 O ATOM 786 NE2 GLN A 51 3.381 -0.675 -11.974 1.00 0.00 N ATOM 0 H GLN A 51 6.884 1.486 -8.555 1.00 0.00 H new ATOM 0 HA GLN A 51 4.222 1.105 -9.715 1.00 0.00 H new ATOM 0 HB2 GLN A 51 6.607 1.793 -10.770 1.00 0.00 H new ATOM 0 HB3 GLN A 51 6.742 0.052 -10.916 1.00 0.00 H new ATOM 0 HG2 GLN A 51 4.393 1.649 -11.990 1.00 0.00 H new ATOM 0 HG3 GLN A 51 5.812 1.252 -12.939 1.00 0.00 H new ATOM 0 HE21 GLN A 51 2.919 0.014 -11.381 1.00 0.00 H new ATOM 0 HE22 GLN A 51 2.917 -1.558 -12.187 1.00 0.00 H new ATOM 795 N VAL A 52 3.876 -1.233 -8.959 1.00 0.00 N ATOM 796 CA VAL A 52 3.624 -2.603 -8.530 1.00 0.00 C ATOM 797 C VAL A 52 2.584 -3.262 -9.426 1.00 0.00 C ATOM 798 O VAL A 52 2.115 -2.664 -10.392 1.00 0.00 O ATOM 799 CB VAL A 52 3.117 -2.660 -7.070 1.00 0.00 C ATOM 800 CG1 VAL A 52 4.193 -2.213 -6.096 1.00 0.00 C ATOM 801 CG2 VAL A 52 1.862 -1.814 -6.901 1.00 0.00 C ATOM 0 H VAL A 52 3.033 -0.673 -9.083 1.00 0.00 H new ATOM 0 HA VAL A 52 4.573 -3.135 -8.599 1.00 0.00 H new ATOM 0 HB VAL A 52 2.869 -3.697 -6.846 1.00 0.00 H new ATOM 0 HG11 VAL A 52 3.806 -2.264 -5.078 1.00 0.00 H new ATOM 0 HG12 VAL A 52 5.061 -2.866 -6.188 1.00 0.00 H new ATOM 0 HG13 VAL A 52 4.485 -1.188 -6.322 1.00 0.00 H new ATOM 0 HG21 VAL A 52 1.523 -1.869 -5.867 1.00 0.00 H new ATOM 0 HG22 VAL A 52 2.085 -0.778 -7.156 1.00 0.00 H new ATOM 0 HG23 VAL A 52 1.079 -2.189 -7.560 1.00 0.00 H new ATOM 811 N GLU A 53 2.226 -4.493 -9.100 1.00 0.00 N ATOM 812 CA GLU A 53 1.164 -5.189 -9.808 1.00 0.00 C ATOM 813 C GLU A 53 0.235 -5.840 -8.794 1.00 0.00 C ATOM 814 O GLU A 53 0.699 -6.486 -7.854 1.00 0.00 O ATOM 815 CB GLU A 53 1.741 -6.240 -10.765 1.00 0.00 C ATOM 816 CG GLU A 53 0.704 -6.857 -11.691 1.00 0.00 C ATOM 817 CD GLU A 53 1.293 -7.881 -12.638 1.00 0.00 C ATOM 818 OE1 GLU A 53 1.809 -7.489 -13.705 1.00 0.00 O ATOM 819 OE2 GLU A 53 1.236 -9.085 -12.323 1.00 0.00 O ATOM 0 H GLU A 53 2.656 -5.032 -8.348 1.00 0.00 H new ATOM 0 HA GLU A 53 0.603 -4.472 -10.407 1.00 0.00 H new ATOM 0 HB2 GLU A 53 2.525 -5.780 -11.367 1.00 0.00 H new ATOM 0 HB3 GLU A 53 2.211 -7.031 -10.181 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -0.075 -7.329 -11.092 1.00 0.00 H new ATOM 0 HG3 GLU A 53 0.226 -6.067 -12.270 1.00 0.00 H new ATOM 826 N THR A 54 -1.067 -5.650 -8.971 1.00 0.00 N ATOM 827 CA THR A 54 -2.052 -6.164 -8.025 1.00 0.00 C ATOM 828 C THR A 54 -2.255 -7.665 -8.211 1.00 0.00 C ATOM 829 O THR A 54 -2.534 -8.391 -7.258 1.00 0.00 O ATOM 830 CB THR A 54 -3.399 -5.441 -8.201 1.00 0.00 C ATOM 831 OG1 THR A 54 -3.172 -4.032 -8.333 1.00 0.00 O ATOM 832 CG2 THR A 54 -4.320 -5.696 -7.013 1.00 0.00 C ATOM 0 H THR A 54 -1.466 -5.143 -9.761 1.00 0.00 H new ATOM 0 HA THR A 54 -1.673 -5.980 -7.020 1.00 0.00 H new ATOM 0 HB THR A 54 -3.880 -5.829 -9.099 1.00 0.00 H new ATOM 0 HG1 THR A 54 -4.030 -3.572 -8.447 1.00 0.00 H new ATOM 0 HG21 THR A 54 -5.264 -5.173 -7.165 1.00 0.00 H new ATOM 0 HG22 THR A 54 -4.509 -6.766 -6.922 1.00 0.00 H new ATOM 0 HG23 THR A 54 -3.847 -5.332 -6.101 1.00 0.00 H new ATOM 840 N ARG A 55 -2.089 -8.111 -9.453 1.00 0.00 N ATOM 841 CA ARG A 55 -2.276 -9.513 -9.825 1.00 0.00 C ATOM 842 C ARG A 55 -2.163 -9.661 -11.336 1.00 0.00 C ATOM 843 O ARG A 55 -1.823 -10.726 -11.847 1.00 0.00 O ATOM 844 CB ARG A 55 -3.639 -10.059 -9.360 1.00 0.00 C ATOM 845 CG ARG A 55 -4.832 -9.439 -10.070 1.00 0.00 C ATOM 846 CD ARG A 55 -6.117 -10.194 -9.767 1.00 0.00 C ATOM 847 NE ARG A 55 -6.595 -9.975 -8.405 1.00 0.00 N ATOM 848 CZ ARG A 55 -6.811 -10.951 -7.529 1.00 0.00 C ATOM 849 NH1 ARG A 55 -6.463 -12.201 -7.825 1.00 0.00 N ATOM 850 NH2 ARG A 55 -7.369 -10.678 -6.354 1.00 0.00 N ATOM 0 H ARG A 55 -1.820 -7.510 -10.232 1.00 0.00 H new ATOM 0 HA ARG A 55 -1.497 -10.091 -9.328 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -3.658 -11.138 -9.515 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -3.740 -9.889 -8.288 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -4.939 -8.399 -9.762 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -4.655 -9.437 -11.146 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -6.889 -9.885 -10.472 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -5.952 -11.260 -9.922 1.00 0.00 H new ATOM 0 HE ARG A 55 -6.774 -9.016 -8.108 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -6.030 -12.410 -8.725 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -6.629 -12.950 -7.152 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -7.632 -9.719 -6.124 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -7.535 -11.427 -5.682 1.00 0.00 H new ATOM 864 N GLN A 56 -2.467 -8.580 -12.049 1.00 0.00 N ATOM 865 CA GLN A 56 -2.406 -8.580 -13.503 1.00 0.00 C ATOM 866 C GLN A 56 -2.195 -7.162 -14.020 1.00 0.00 C ATOM 867 O GLN A 56 -1.481 -6.949 -14.993 1.00 0.00 O ATOM 868 CB GLN A 56 -3.694 -9.168 -14.087 1.00 0.00 C ATOM 869 CG GLN A 56 -3.465 -10.191 -15.193 1.00 0.00 C ATOM 870 CD GLN A 56 -2.729 -9.623 -16.390 1.00 0.00 C ATOM 871 OE1 GLN A 56 -3.343 -9.111 -17.323 1.00 0.00 O ATOM 872 NE2 GLN A 56 -1.410 -9.716 -16.376 1.00 0.00 N ATOM 0 H GLN A 56 -2.758 -7.692 -11.640 1.00 0.00 H new ATOM 0 HA GLN A 56 -1.565 -9.198 -13.818 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -4.263 -9.638 -13.285 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -4.306 -8.356 -14.479 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -2.898 -11.030 -14.791 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -4.428 -10.584 -15.520 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -0.938 -10.148 -15.582 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -0.865 -9.355 -17.159 1.00 0.00 H new ATOM 881 N THR A 57 -2.811 -6.193 -13.355 1.00 0.00 N ATOM 882 CA THR A 57 -2.696 -4.804 -13.761 1.00 0.00 C ATOM 883 C THR A 57 -1.617 -4.098 -12.944 1.00 0.00 C ATOM 884 O THR A 57 -1.455 -4.362 -11.747 1.00 0.00 O ATOM 885 CB THR A 57 -4.047 -4.061 -13.613 1.00 0.00 C ATOM 886 OG1 THR A 57 -3.912 -2.686 -13.997 1.00 0.00 O ATOM 887 CG2 THR A 57 -4.571 -4.149 -12.184 1.00 0.00 C ATOM 0 H THR A 57 -3.395 -6.346 -12.533 1.00 0.00 H new ATOM 0 HA THR A 57 -2.413 -4.787 -14.814 1.00 0.00 H new ATOM 0 HB THR A 57 -4.765 -4.547 -14.274 1.00 0.00 H new ATOM 0 HG1 THR A 57 -4.775 -2.233 -13.899 1.00 0.00 H new ATOM 0 HG21 THR A 57 -5.520 -3.618 -12.111 1.00 0.00 H new ATOM 0 HG22 THR A 57 -4.718 -5.195 -11.914 1.00 0.00 H new ATOM 0 HG23 THR A 57 -3.850 -3.697 -11.503 1.00 0.00 H new ATOM 895 N SER A 58 -0.869 -3.225 -13.602 1.00 0.00 N ATOM 896 CA SER A 58 0.173 -2.457 -12.941 1.00 0.00 C ATOM 897 C SER A 58 -0.425 -1.255 -12.212 1.00 0.00 C ATOM 898 O SER A 58 -1.418 -0.673 -12.662 1.00 0.00 O ATOM 899 CB SER A 58 1.209 -1.991 -13.964 1.00 0.00 C ATOM 900 OG SER A 58 1.777 -3.091 -14.658 1.00 0.00 O ATOM 0 H SER A 58 -0.966 -3.031 -14.599 1.00 0.00 H new ATOM 0 HA SER A 58 0.662 -3.097 -12.206 1.00 0.00 H new ATOM 0 HB2 SER A 58 0.741 -1.311 -14.676 1.00 0.00 H new ATOM 0 HB3 SER A 58 1.996 -1.431 -13.459 1.00 0.00 H new ATOM 0 HG SER A 58 2.435 -2.764 -15.307 1.00 0.00 H new ATOM 906 N LEU A 59 0.177 -0.890 -11.089 1.00 0.00 N ATOM 907 CA LEU A 59 -0.296 0.233 -10.293 1.00 0.00 C ATOM 908 C LEU A 59 0.883 1.057 -9.788 1.00 0.00 C ATOM 909 O LEU A 59 2.013 0.572 -9.761 1.00 0.00 O ATOM 910 CB LEU A 59 -1.144 -0.274 -9.119 1.00 0.00 C ATOM 911 CG LEU A 59 -1.864 0.805 -8.307 1.00 0.00 C ATOM 912 CD1 LEU A 59 -2.885 1.534 -9.167 1.00 0.00 C ATOM 913 CD2 LEU A 59 -2.534 0.194 -7.088 1.00 0.00 C ATOM 0 H LEU A 59 0.999 -1.358 -10.707 1.00 0.00 H new ATOM 0 HA LEU A 59 -0.918 0.873 -10.919 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.889 -0.969 -9.506 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -0.499 -0.840 -8.446 1.00 0.00 H new ATOM 0 HG LEU A 59 -1.123 1.530 -7.968 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.385 2.297 -8.570 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -2.380 2.006 -10.010 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.622 0.822 -9.538 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -3.041 0.975 -6.522 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -3.261 -0.552 -7.408 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -1.781 -0.280 -6.458 1.00 0.00 H new ATOM 925 N ALA A 60 0.618 2.302 -9.414 1.00 0.00 N ATOM 926 CA ALA A 60 1.643 3.179 -8.868 1.00 0.00 C ATOM 927 C ALA A 60 1.077 3.975 -7.703 1.00 0.00 C ATOM 928 O ALA A 60 -0.137 4.163 -7.612 1.00 0.00 O ATOM 929 CB ALA A 60 2.173 4.114 -9.944 1.00 0.00 C ATOM 0 H ALA A 60 -0.306 2.729 -9.480 1.00 0.00 H new ATOM 0 HA ALA A 60 2.472 2.569 -8.508 1.00 0.00 H new ATOM 0 HB1 ALA A 60 2.938 4.762 -9.518 1.00 0.00 H new ATOM 0 HB2 ALA A 60 2.605 3.528 -10.755 1.00 0.00 H new ATOM 0 HB3 ALA A 60 1.356 4.723 -10.331 1.00 0.00 H new ATOM 935 N LEU A 61 1.950 4.442 -6.820 1.00 0.00 N ATOM 936 CA LEU A 61 1.525 5.182 -5.644 1.00 0.00 C ATOM 937 C LEU A 61 2.707 5.954 -5.080 1.00 0.00 C ATOM 938 O LEU A 61 3.839 5.742 -5.511 1.00 0.00 O ATOM 939 CB LEU A 61 0.923 4.234 -4.590 1.00 0.00 C ATOM 940 CG LEU A 61 1.826 3.091 -4.125 1.00 0.00 C ATOM 941 CD1 LEU A 61 2.615 3.495 -2.888 1.00 0.00 C ATOM 942 CD2 LEU A 61 1.003 1.840 -3.856 1.00 0.00 C ATOM 0 H LEU A 61 2.960 4.320 -6.898 1.00 0.00 H new ATOM 0 HA LEU A 61 0.746 5.890 -5.926 1.00 0.00 H new ATOM 0 HB2 LEU A 61 0.639 4.824 -3.719 1.00 0.00 H new ATOM 0 HB3 LEU A 61 0.007 3.805 -4.996 1.00 0.00 H new ATOM 0 HG LEU A 61 2.537 2.870 -4.921 1.00 0.00 H new ATOM 0 HD11 LEU A 61 3.250 2.666 -2.575 1.00 0.00 H new ATOM 0 HD12 LEU A 61 3.235 4.361 -3.119 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.925 3.747 -2.083 1.00 0.00 H new ATOM 0 HD21 LEU A 61 1.661 1.036 -3.526 1.00 0.00 H new ATOM 0 HD22 LEU A 61 0.267 2.049 -3.080 1.00 0.00 H new ATOM 0 HD23 LEU A 61 0.491 1.538 -4.770 1.00 0.00 H new ATOM 954 N ARG A 62 2.445 6.858 -4.146 1.00 0.00 N ATOM 955 CA ARG A 62 3.499 7.683 -3.582 1.00 0.00 C ATOM 956 C ARG A 62 3.795 7.293 -2.145 1.00 0.00 C ATOM 957 O ARG A 62 3.048 6.543 -1.516 1.00 0.00 O ATOM 958 CB ARG A 62 3.121 9.164 -3.611 1.00 0.00 C ATOM 959 CG ARG A 62 2.777 9.714 -4.983 1.00 0.00 C ATOM 960 CD ARG A 62 1.404 9.251 -5.448 1.00 0.00 C ATOM 961 NE ARG A 62 0.624 10.327 -6.048 1.00 0.00 N ATOM 962 CZ ARG A 62 -0.556 10.734 -5.579 1.00 0.00 C ATOM 963 NH1 ARG A 62 -1.083 10.157 -4.502 1.00 0.00 N ATOM 964 NH2 ARG A 62 -1.207 11.719 -6.190 1.00 0.00 N ATOM 0 H ARG A 62 1.516 7.037 -3.766 1.00 0.00 H new ATOM 0 HA ARG A 62 4.385 7.519 -4.196 1.00 0.00 H new ATOM 0 HB2 ARG A 62 2.268 9.318 -2.950 1.00 0.00 H new ATOM 0 HB3 ARG A 62 3.949 9.743 -3.202 1.00 0.00 H new ATOM 0 HG2 ARG A 62 2.803 10.803 -4.955 1.00 0.00 H new ATOM 0 HG3 ARG A 62 3.531 9.395 -5.702 1.00 0.00 H new ATOM 0 HD2 ARG A 62 1.522 8.445 -6.172 1.00 0.00 H new ATOM 0 HD3 ARG A 62 0.857 8.839 -4.600 1.00 0.00 H new ATOM 0 HE ARG A 62 1.002 10.794 -6.872 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -0.584 9.401 -4.033 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -1.986 10.471 -4.146 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -0.804 12.162 -7.016 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -2.110 12.032 -5.833 1.00 0.00 H new ATOM 978 N ARG A 63 4.887 7.838 -1.639 1.00 0.00 N ATOM 979 CA ARG A 63 5.294 7.649 -0.252 1.00 0.00 C ATOM 980 C ARG A 63 4.224 8.122 0.720 1.00 0.00 C ATOM 981 O ARG A 63 4.071 7.570 1.808 1.00 0.00 O ATOM 982 CB ARG A 63 6.632 8.345 0.020 1.00 0.00 C ATOM 983 CG ARG A 63 6.782 9.746 -0.565 1.00 0.00 C ATOM 984 CD ARG A 63 6.124 10.816 0.286 1.00 0.00 C ATOM 985 NE ARG A 63 6.396 12.155 -0.237 1.00 0.00 N ATOM 986 CZ ARG A 63 6.416 13.258 0.511 1.00 0.00 C ATOM 987 NH1 ARG A 63 6.060 13.205 1.788 1.00 0.00 N ATOM 988 NH2 ARG A 63 6.760 14.420 -0.028 1.00 0.00 N ATOM 0 H ARG A 63 5.521 8.427 -2.178 1.00 0.00 H new ATOM 0 HA ARG A 63 5.425 6.579 -0.091 1.00 0.00 H new ATOM 0 HB2 ARG A 63 6.776 8.405 1.099 1.00 0.00 H new ATOM 0 HB3 ARG A 63 7.432 7.719 -0.375 1.00 0.00 H new ATOM 0 HG2 ARG A 63 7.842 9.977 -0.674 1.00 0.00 H new ATOM 0 HG3 ARG A 63 6.347 9.765 -1.564 1.00 0.00 H new ATOM 0 HD2 ARG A 63 5.048 10.647 0.317 1.00 0.00 H new ATOM 0 HD3 ARG A 63 6.488 10.743 1.311 1.00 0.00 H new ATOM 0 HE ARG A 63 6.582 12.250 -1.235 1.00 0.00 H new ATOM 0 HH11 ARG A 63 5.770 12.318 2.200 1.00 0.00 H new ATOM 0 HH12 ARG A 63 6.076 14.051 2.358 1.00 0.00 H new ATOM 0 HH21 ARG A 63 7.010 14.470 -1.016 1.00 0.00 H new ATOM 0 HH22 ARG A 63 6.775 15.264 0.545 1.00 0.00 H new ATOM 1002 N LYS A 64 3.501 9.159 0.334 1.00 0.00 N ATOM 1003 CA LYS A 64 2.396 9.650 1.150 1.00 0.00 C ATOM 1004 C LYS A 64 1.301 8.592 1.259 1.00 0.00 C ATOM 1005 O LYS A 64 0.781 8.337 2.344 1.00 0.00 O ATOM 1006 CB LYS A 64 1.807 10.947 0.591 1.00 0.00 C ATOM 1007 CG LYS A 64 0.678 11.491 1.457 1.00 0.00 C ATOM 1008 CD LYS A 64 0.166 12.838 0.976 1.00 0.00 C ATOM 1009 CE LYS A 64 -0.932 13.351 1.895 1.00 0.00 C ATOM 1010 NZ LYS A 64 -1.397 14.708 1.517 1.00 0.00 N ATOM 0 H LYS A 64 3.655 9.676 -0.532 1.00 0.00 H new ATOM 0 HA LYS A 64 2.797 9.862 2.141 1.00 0.00 H new ATOM 0 HB2 LYS A 64 2.595 11.696 0.512 1.00 0.00 H new ATOM 0 HB3 LYS A 64 1.434 10.769 -0.418 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -0.145 10.776 1.465 1.00 0.00 H new ATOM 0 HG3 LYS A 64 1.028 11.586 2.485 1.00 0.00 H new ATOM 0 HD2 LYS A 64 0.986 13.555 0.945 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -0.216 12.746 -0.041 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -1.775 12.661 1.870 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -0.565 13.368 2.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -2.145 15.014 2.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -0.600 15.374 1.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -1.773 14.689 0.547 1.00 0.00 H new ATOM 1024 N ASP A 65 0.970 7.970 0.132 1.00 0.00 N ATOM 1025 CA ASP A 65 -0.027 6.905 0.108 1.00 0.00 C ATOM 1026 C ASP A 65 0.490 5.703 0.890 1.00 0.00 C ATOM 1027 O ASP A 65 -0.262 5.023 1.588 1.00 0.00 O ATOM 1028 CB ASP A 65 -0.342 6.497 -1.337 1.00 0.00 C ATOM 1029 CG ASP A 65 -0.791 7.664 -2.197 1.00 0.00 C ATOM 1030 OD1 ASP A 65 -1.946 8.116 -2.050 1.00 0.00 O ATOM 1031 OD2 ASP A 65 0.014 8.128 -3.032 1.00 0.00 O ATOM 0 H ASP A 65 1.378 8.185 -0.778 1.00 0.00 H new ATOM 0 HA ASP A 65 -0.944 7.269 0.571 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.544 6.044 -1.782 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -1.121 5.735 -1.332 1.00 0.00 H new ATOM 1036 N LEU A 66 1.794 5.464 0.775 1.00 0.00 N ATOM 1037 CA LEU A 66 2.469 4.415 1.533 1.00 0.00 C ATOM 1038 C LEU A 66 2.310 4.649 3.035 1.00 0.00 C ATOM 1039 O LEU A 66 2.163 3.707 3.809 1.00 0.00 O ATOM 1040 CB LEU A 66 3.955 4.387 1.167 1.00 0.00 C ATOM 1041 CG LEU A 66 4.795 3.346 1.913 1.00 0.00 C ATOM 1042 CD1 LEU A 66 4.361 1.936 1.546 1.00 0.00 C ATOM 1043 CD2 LEU A 66 6.273 3.547 1.618 1.00 0.00 C ATOM 0 H LEU A 66 2.410 5.990 0.156 1.00 0.00 H new ATOM 0 HA LEU A 66 2.015 3.457 1.281 1.00 0.00 H new ATOM 0 HB2 LEU A 66 4.045 4.202 0.097 1.00 0.00 H new ATOM 0 HB3 LEU A 66 4.377 5.374 1.357 1.00 0.00 H new ATOM 0 HG LEU A 66 4.635 3.480 2.983 1.00 0.00 H new ATOM 0 HD11 LEU A 66 4.972 1.214 2.088 1.00 0.00 H new ATOM 0 HD12 LEU A 66 3.313 1.797 1.812 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.486 1.784 0.474 1.00 0.00 H new ATOM 0 HD21 LEU A 66 6.856 2.799 2.156 1.00 0.00 H new ATOM 0 HD22 LEU A 66 6.448 3.442 0.547 1.00 0.00 H new ATOM 0 HD23 LEU A 66 6.576 4.543 1.939 1.00 0.00 H new ATOM 1055 N ALA A 67 2.317 5.916 3.430 1.00 0.00 N ATOM 1056 CA ALA A 67 2.212 6.294 4.837 1.00 0.00 C ATOM 1057 C ALA A 67 0.815 6.009 5.395 1.00 0.00 C ATOM 1058 O ALA A 67 0.593 6.078 6.604 1.00 0.00 O ATOM 1059 CB ALA A 67 2.567 7.764 5.017 1.00 0.00 C ATOM 0 H ALA A 67 2.395 6.707 2.791 1.00 0.00 H new ATOM 0 HA ALA A 67 2.922 5.686 5.398 1.00 0.00 H new ATOM 0 HB1 ALA A 67 2.484 8.032 6.070 1.00 0.00 H new ATOM 0 HB2 ALA A 67 3.589 7.936 4.678 1.00 0.00 H new ATOM 0 HB3 ALA A 67 1.882 8.378 4.432 1.00 0.00 H new ATOM 1065 N LEU A 68 -0.120 5.686 4.513 1.00 0.00 N ATOM 1066 CA LEU A 68 -1.478 5.365 4.926 1.00 0.00 C ATOM 1067 C LEU A 68 -1.645 3.857 5.082 1.00 0.00 C ATOM 1068 O LEU A 68 -2.611 3.385 5.685 1.00 0.00 O ATOM 1069 CB LEU A 68 -2.481 5.905 3.903 1.00 0.00 C ATOM 1070 CG LEU A 68 -2.435 7.419 3.690 1.00 0.00 C ATOM 1071 CD1 LEU A 68 -3.329 7.818 2.530 1.00 0.00 C ATOM 1072 CD2 LEU A 68 -2.861 8.149 4.956 1.00 0.00 C ATOM 0 H LEU A 68 0.037 5.639 3.506 1.00 0.00 H new ATOM 0 HA LEU A 68 -1.669 5.836 5.890 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -2.302 5.413 2.947 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -3.486 5.628 4.221 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.409 7.701 3.454 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.285 8.898 2.392 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -2.989 7.322 1.621 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.356 7.521 2.743 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.822 9.225 4.786 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.879 7.859 5.218 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -2.188 7.886 5.772 1.00 0.00 H new ATOM 1084 N LEU A 69 -0.686 3.106 4.564 1.00 0.00 N ATOM 1085 CA LEU A 69 -0.749 1.655 4.599 1.00 0.00 C ATOM 1086 C LEU A 69 0.368 1.085 5.459 1.00 0.00 C ATOM 1087 O LEU A 69 1.440 1.681 5.587 1.00 0.00 O ATOM 1088 CB LEU A 69 -0.637 1.078 3.186 1.00 0.00 C ATOM 1089 CG LEU A 69 -1.765 1.456 2.226 1.00 0.00 C ATOM 1090 CD1 LEU A 69 -1.468 0.913 0.836 1.00 0.00 C ATOM 1091 CD2 LEU A 69 -3.098 0.926 2.735 1.00 0.00 C ATOM 0 H LEU A 69 0.149 3.480 4.113 1.00 0.00 H new ATOM 0 HA LEU A 69 -1.710 1.376 5.030 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.309 1.405 2.753 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.595 -0.009 3.259 1.00 0.00 H new ATOM 0 HG LEU A 69 -1.830 2.543 2.170 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -2.276 1.187 0.158 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.531 1.336 0.473 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -1.383 -0.173 0.880 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.890 1.204 2.039 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -3.051 -0.160 2.816 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.309 1.354 3.715 1.00 0.00 H new ATOM 1103 N THR A 70 0.105 -0.056 6.065 1.00 0.00 N ATOM 1104 CA THR A 70 1.138 -0.808 6.750 1.00 0.00 C ATOM 1105 C THR A 70 1.464 -2.063 5.950 1.00 0.00 C ATOM 1106 O THR A 70 0.597 -2.912 5.722 1.00 0.00 O ATOM 1107 CB THR A 70 0.709 -1.193 8.173 1.00 0.00 C ATOM 1108 OG1 THR A 70 0.220 -0.034 8.868 1.00 0.00 O ATOM 1109 CG2 THR A 70 1.875 -1.794 8.942 1.00 0.00 C ATOM 0 H THR A 70 -0.820 -0.484 6.097 1.00 0.00 H new ATOM 0 HA THR A 70 2.023 -0.176 6.830 1.00 0.00 H new ATOM 0 HB THR A 70 -0.084 -1.937 8.103 1.00 0.00 H new ATOM 0 HG1 THR A 70 -0.725 -0.162 9.094 1.00 0.00 H new ATOM 0 HG21 THR A 70 1.549 -2.060 9.948 1.00 0.00 H new ATOM 0 HG22 THR A 70 2.229 -2.687 8.427 1.00 0.00 H new ATOM 0 HG23 THR A 70 2.684 -1.066 9.003 1.00 0.00 H new ATOM 1117 N LEU A 71 2.705 -2.166 5.515 1.00 0.00 N ATOM 1118 CA LEU A 71 3.118 -3.255 4.643 1.00 0.00 C ATOM 1119 C LEU A 71 4.222 -4.080 5.287 1.00 0.00 C ATOM 1120 O LEU A 71 5.142 -3.534 5.897 1.00 0.00 O ATOM 1121 CB LEU A 71 3.620 -2.711 3.301 1.00 0.00 C ATOM 1122 CG LEU A 71 2.628 -1.852 2.516 1.00 0.00 C ATOM 1123 CD1 LEU A 71 3.235 -1.420 1.190 1.00 0.00 C ATOM 1124 CD2 LEU A 71 1.331 -2.603 2.284 1.00 0.00 C ATOM 0 H LEU A 71 3.448 -1.508 5.750 1.00 0.00 H new ATOM 0 HA LEU A 71 2.248 -3.890 4.477 1.00 0.00 H new ATOM 0 HB2 LEU A 71 4.518 -2.120 3.483 1.00 0.00 H new ATOM 0 HB3 LEU A 71 3.915 -3.554 2.676 1.00 0.00 H new ATOM 0 HG LEU A 71 2.406 -0.962 3.105 1.00 0.00 H new ATOM 0 HD11 LEU A 71 2.517 -0.809 0.643 1.00 0.00 H new ATOM 0 HD12 LEU A 71 4.138 -0.839 1.375 1.00 0.00 H new ATOM 0 HD13 LEU A 71 3.485 -2.302 0.600 1.00 0.00 H new ATOM 0 HD21 LEU A 71 0.641 -1.972 1.724 1.00 0.00 H new ATOM 0 HD22 LEU A 71 1.533 -3.512 1.718 1.00 0.00 H new ATOM 0 HD23 LEU A 71 0.886 -2.865 3.244 1.00 0.00 H new ATOM 1136 N VAL A 72 4.124 -5.390 5.147 1.00 0.00 N ATOM 1137 CA VAL A 72 5.163 -6.294 5.617 1.00 0.00 C ATOM 1138 C VAL A 72 5.525 -7.277 4.512 1.00 0.00 C ATOM 1139 O VAL A 72 4.645 -7.814 3.845 1.00 0.00 O ATOM 1140 CB VAL A 72 4.740 -7.072 6.886 1.00 0.00 C ATOM 1141 CG1 VAL A 72 4.606 -6.133 8.071 1.00 0.00 C ATOM 1142 CG2 VAL A 72 3.445 -7.837 6.660 1.00 0.00 C ATOM 0 H VAL A 72 3.330 -5.856 4.708 1.00 0.00 H new ATOM 0 HA VAL A 72 6.028 -5.686 5.881 1.00 0.00 H new ATOM 0 HB VAL A 72 5.522 -7.798 7.107 1.00 0.00 H new ATOM 0 HG11 VAL A 72 4.308 -6.700 8.953 1.00 0.00 H new ATOM 0 HG12 VAL A 72 5.563 -5.646 8.259 1.00 0.00 H new ATOM 0 HG13 VAL A 72 3.851 -5.378 7.853 1.00 0.00 H new ATOM 0 HG21 VAL A 72 3.175 -8.373 7.570 1.00 0.00 H new ATOM 0 HG22 VAL A 72 2.650 -7.138 6.401 1.00 0.00 H new ATOM 0 HG23 VAL A 72 3.581 -8.549 5.846 1.00 0.00 H new ATOM 1152 N PRO A 73 6.822 -7.502 4.276 1.00 0.00 N ATOM 1153 CA PRO A 73 7.279 -8.436 3.244 1.00 0.00 C ATOM 1154 C PRO A 73 6.820 -9.865 3.519 1.00 0.00 C ATOM 1155 O PRO A 73 6.389 -10.185 4.631 1.00 0.00 O ATOM 1156 CB PRO A 73 8.809 -8.348 3.320 1.00 0.00 C ATOM 1157 CG PRO A 73 9.095 -7.074 4.042 1.00 0.00 C ATOM 1158 CD PRO A 73 7.945 -6.867 4.983 1.00 0.00 C ATOM 0 HA PRO A 73 6.876 -8.182 2.264 1.00 0.00 H new ATOM 0 HB2 PRO A 73 9.226 -9.203 3.851 1.00 0.00 H new ATOM 0 HB3 PRO A 73 9.253 -8.344 2.324 1.00 0.00 H new ATOM 0 HG2 PRO A 73 10.038 -7.136 4.585 1.00 0.00 H new ATOM 0 HG3 PRO A 73 9.184 -6.241 3.344 1.00 0.00 H new ATOM 0 HD2 PRO A 73 8.127 -7.332 5.952 1.00 0.00 H new ATOM 0 HD3 PRO A 73 7.760 -5.809 5.167 1.00 0.00 H new ATOM 1166 N LEU A 74 6.907 -10.716 2.497 1.00 0.00 N ATOM 1167 CA LEU A 74 6.586 -12.130 2.643 1.00 0.00 C ATOM 1168 C LEU A 74 7.374 -12.741 3.796 1.00 0.00 C ATOM 1169 O LEU A 74 6.839 -13.517 4.593 1.00 0.00 O ATOM 1170 CB LEU A 74 6.901 -12.878 1.347 1.00 0.00 C ATOM 1171 CG LEU A 74 6.066 -12.476 0.129 1.00 0.00 C ATOM 1172 CD1 LEU A 74 6.526 -13.233 -1.107 1.00 0.00 C ATOM 1173 CD2 LEU A 74 4.589 -12.736 0.385 1.00 0.00 C ATOM 0 H LEU A 74 7.198 -10.447 1.557 1.00 0.00 H new ATOM 0 HA LEU A 74 5.521 -12.221 2.859 1.00 0.00 H new ATOM 0 HB2 LEU A 74 7.954 -12.727 1.109 1.00 0.00 H new ATOM 0 HB3 LEU A 74 6.764 -13.945 1.522 1.00 0.00 H new ATOM 0 HG LEU A 74 6.207 -11.409 -0.044 1.00 0.00 H new ATOM 0 HD11 LEU A 74 5.921 -12.934 -1.963 1.00 0.00 H new ATOM 0 HD12 LEU A 74 7.573 -13.004 -1.305 1.00 0.00 H new ATOM 0 HD13 LEU A 74 6.414 -14.304 -0.940 1.00 0.00 H new ATOM 0 HD21 LEU A 74 4.011 -12.444 -0.492 1.00 0.00 H new ATOM 0 HD22 LEU A 74 4.435 -13.797 0.584 1.00 0.00 H new ATOM 0 HD23 LEU A 74 4.261 -12.154 1.246 1.00 0.00 H new ATOM 1185 N ASP A 75 8.642 -12.374 3.883 1.00 0.00 N ATOM 1186 CA ASP A 75 9.504 -12.831 4.955 1.00 0.00 C ATOM 1187 C ASP A 75 10.389 -11.688 5.426 1.00 0.00 C ATOM 1188 O ASP A 75 10.150 -11.157 6.529 1.00 0.00 O ATOM 1189 CB ASP A 75 10.370 -14.006 4.499 1.00 0.00 C ATOM 1190 CG ASP A 75 11.263 -14.513 5.610 1.00 0.00 C ATOM 1191 OD1 ASP A 75 10.743 -15.152 6.551 1.00 0.00 O ATOM 1192 OD2 ASP A 75 12.486 -14.279 5.552 1.00 0.00 O ATOM 1193 OXT ASP A 75 11.309 -11.307 4.678 1.00 0.00 O ATOM 0 H ASP A 75 9.099 -11.754 3.215 1.00 0.00 H new ATOM 0 HA ASP A 75 8.877 -13.169 5.780 1.00 0.00 H new ATOM 0 HB2 ASP A 75 9.729 -14.816 4.150 1.00 0.00 H new ATOM 0 HB3 ASP A 75 10.983 -13.698 3.652 1.00 0.00 H new TER 1198 ASP A 75