USER MOD reduce.3.24.130724 H: found=0, std=0, add=782, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 779 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 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -161:sc= -0.055 (180deg=-0.457) USER MOD Single : A 8 LYS NZ :NH3+ -152:sc= 0 (180deg=-0.00516) USER MOD Single : A 9 SER OG : rot -81:sc= 0.337 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot -172:sc= -4.06! USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 33:sc= 0.531 USER MOD Single : A 32 THR OG1 : rot 44:sc= 0.469 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.11) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 50 MET CE :methyl -148:sc= -6.3! (180deg=-8.01!) USER MOD Single : A 51 HIS : no HE2:sc= -0.179 K(o=-0.18,f=-4!) USER MOD Single : A 52 ASN : amide:sc= -4.06 K(o=-4.1,f=-5.7!) USER MOD Single : A 57 ASN : amide:sc= -1.68 K(o=-1.7,f=-3.6!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -0.471 X(o=-0.47,f=-0.017) USER MOD Single : A 67 ASN : amide:sc= -0.409 X(o=-0.41,f=-0.061) USER MOD Single : A 69 SER OG : rot -50:sc=0.000853 USER MOD Single : A 71 GLN : amide:sc= -0.0827 X(o=-0.083,f=-0.083) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0.211 USER MOD Single : A 86 SER OG : rot 180:sc= -0.0978 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 GLN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.794 1.746 -0.025 1.00 0.00 N ATOM 2 CA MET A 1 3.178 0.939 -1.178 1.00 0.00 C ATOM 3 C MET A 1 2.020 0.813 -2.163 1.00 0.00 C ATOM 4 O MET A 1 0.899 0.484 -1.777 1.00 0.00 O ATOM 5 CB MET A 1 3.632 -0.450 -0.726 1.00 0.00 C ATOM 6 CG MET A 1 4.466 -0.433 0.545 1.00 0.00 C ATOM 7 SD MET A 1 5.061 -2.071 1.007 1.00 0.00 S ATOM 8 CE MET A 1 6.831 -1.794 1.028 1.00 0.00 C ATOM 0 H1 MET A 1 3.648 2.088 0.460 1.00 0.00 H new ATOM 0 H2 MET A 1 2.228 2.559 -0.343 1.00 0.00 H new ATOM 0 H3 MET A 1 2.231 1.168 0.631 1.00 0.00 H new ATOM 0 HA MET A 1 4.006 1.438 -1.681 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.754 -1.076 -0.566 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.212 -0.912 -1.525 1.00 0.00 H new ATOM 0 HG2 MET A 1 5.318 0.233 0.407 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.870 -0.024 1.361 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.341 -2.719 1.298 1.00 0.00 H new ATOM 0 HE2 MET A 1 7.161 -1.473 0.040 1.00 0.00 H new ATOM 0 HE3 MET A 1 7.070 -1.021 1.759 1.00 0.00 H new ATOM 18 N GLU A 2 2.300 1.077 -3.436 1.00 0.00 N ATOM 19 CA GLU A 2 1.280 0.993 -4.475 1.00 0.00 C ATOM 20 C GLU A 2 1.628 -0.090 -5.492 1.00 0.00 C ATOM 21 O GLU A 2 2.587 -0.842 -5.312 1.00 0.00 O ATOM 22 CB GLU A 2 1.129 2.342 -5.181 1.00 0.00 C ATOM 23 CG GLU A 2 2.251 2.647 -6.158 1.00 0.00 C ATOM 24 CD GLU A 2 1.845 2.420 -7.602 1.00 0.00 C ATOM 25 OE1 GLU A 2 0.667 2.668 -7.933 1.00 0.00 O ATOM 26 OE2 GLU A 2 2.707 1.995 -8.400 1.00 0.00 O ATOM 0 H GLU A 2 3.223 1.350 -3.772 1.00 0.00 H new ATOM 0 HA GLU A 2 0.334 0.731 -4.001 1.00 0.00 H new ATOM 0 HB2 GLU A 2 0.179 2.358 -5.715 1.00 0.00 H new ATOM 0 HB3 GLU A 2 1.087 3.132 -4.431 1.00 0.00 H new ATOM 0 HG2 GLU A 2 2.566 3.683 -6.032 1.00 0.00 H new ATOM 0 HG3 GLU A 2 3.112 2.021 -5.924 1.00 0.00 H new ATOM 33 N LEU A 3 0.842 -0.164 -6.560 1.00 0.00 N ATOM 34 CA LEU A 3 1.065 -1.155 -7.607 1.00 0.00 C ATOM 35 C LEU A 3 1.531 -0.488 -8.898 1.00 0.00 C ATOM 36 O LEU A 3 0.832 0.353 -9.461 1.00 0.00 O ATOM 37 CB LEU A 3 -0.216 -1.950 -7.865 1.00 0.00 C ATOM 38 CG LEU A 3 -0.184 -3.424 -7.458 1.00 0.00 C ATOM 39 CD1 LEU A 3 0.502 -3.591 -6.111 1.00 0.00 C ATOM 40 CD2 LEU A 3 -1.594 -3.996 -7.415 1.00 0.00 C ATOM 0 H LEU A 3 0.044 0.450 -6.724 1.00 0.00 H new ATOM 0 HA LEU A 3 1.846 -1.835 -7.268 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -1.034 -1.465 -7.333 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -0.448 -1.892 -8.928 1.00 0.00 H new ATOM 0 HG LEU A 3 0.388 -3.975 -8.205 1.00 0.00 H new ATOM 0 HD11 LEU A 3 0.515 -4.646 -5.838 1.00 0.00 H new ATOM 0 HD12 LEU A 3 1.525 -3.220 -6.175 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -0.042 -3.027 -5.353 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -1.552 -5.046 -7.124 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -2.190 -3.442 -6.690 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -2.051 -3.911 -8.401 1.00 0.00 H new ATOM 52 N ALA A 4 2.716 -0.872 -9.361 1.00 0.00 N ATOM 53 CA ALA A 4 3.274 -0.315 -10.587 1.00 0.00 C ATOM 54 C ALA A 4 3.657 -1.418 -11.567 1.00 0.00 C ATOM 55 O ALA A 4 4.405 -2.334 -11.225 1.00 0.00 O ATOM 56 CB ALA A 4 4.481 0.555 -10.270 1.00 0.00 C ATOM 0 H ALA A 4 3.308 -1.567 -8.906 1.00 0.00 H new ATOM 0 HA ALA A 4 2.509 0.302 -11.057 1.00 0.00 H new ATOM 0 HB1 ALA A 4 4.887 0.964 -11.195 1.00 0.00 H new ATOM 0 HB2 ALA A 4 4.179 1.371 -9.614 1.00 0.00 H new ATOM 0 HB3 ALA A 4 5.243 -0.046 -9.774 1.00 0.00 H new ATOM 62 N VAL A 5 3.139 -1.326 -12.788 1.00 0.00 N ATOM 63 CA VAL A 5 3.427 -2.317 -13.818 1.00 0.00 C ATOM 64 C VAL A 5 3.774 -1.647 -15.143 1.00 0.00 C ATOM 65 O VAL A 5 3.260 -0.574 -15.460 1.00 0.00 O ATOM 66 CB VAL A 5 2.234 -3.267 -14.032 1.00 0.00 C ATOM 67 CG1 VAL A 5 2.679 -4.529 -14.755 1.00 0.00 C ATOM 68 CG2 VAL A 5 1.578 -3.607 -12.702 1.00 0.00 C ATOM 0 H VAL A 5 2.518 -0.575 -13.088 1.00 0.00 H new ATOM 0 HA VAL A 5 4.284 -2.895 -13.471 1.00 0.00 H new ATOM 0 HB VAL A 5 1.497 -2.761 -14.655 1.00 0.00 H new ATOM 0 HG11 VAL A 5 1.823 -5.188 -14.897 1.00 0.00 H new ATOM 0 HG12 VAL A 5 3.098 -4.264 -15.726 1.00 0.00 H new ATOM 0 HG13 VAL A 5 3.436 -5.041 -14.161 1.00 0.00 H new ATOM 0 HG21 VAL A 5 0.737 -4.279 -12.872 1.00 0.00 H new ATOM 0 HG22 VAL A 5 2.305 -4.093 -12.051 1.00 0.00 H new ATOM 0 HG23 VAL A 5 1.221 -2.693 -12.228 1.00 0.00 H new ATOM 78 N ILE A 6 4.648 -2.287 -15.912 1.00 0.00 N ATOM 79 CA ILE A 6 5.062 -1.754 -17.204 1.00 0.00 C ATOM 80 C ILE A 6 4.939 -2.809 -18.299 1.00 0.00 C ATOM 81 O ILE A 6 5.760 -3.720 -18.392 1.00 0.00 O ATOM 82 CB ILE A 6 6.513 -1.241 -17.162 1.00 0.00 C ATOM 83 CG1 ILE A 6 6.622 -0.031 -16.231 1.00 0.00 C ATOM 84 CG2 ILE A 6 6.990 -0.883 -18.562 1.00 0.00 C ATOM 85 CD1 ILE A 6 8.004 0.156 -15.643 1.00 0.00 C ATOM 0 H ILE A 6 5.083 -3.175 -15.663 1.00 0.00 H new ATOM 0 HA ILE A 6 4.397 -0.920 -17.429 1.00 0.00 H new ATOM 0 HB ILE A 6 7.152 -2.034 -16.774 1.00 0.00 H new ATOM 0 HG12 ILE A 6 6.346 0.868 -16.782 1.00 0.00 H new ATOM 0 HG13 ILE A 6 5.902 -0.141 -15.420 1.00 0.00 H new ATOM 0 HG21 ILE A 6 8.017 -0.522 -18.515 1.00 0.00 H new ATOM 0 HG22 ILE A 6 6.944 -1.766 -19.199 1.00 0.00 H new ATOM 0 HG23 ILE A 6 6.350 -0.104 -18.976 1.00 0.00 H new ATOM 0 HD11 ILE A 6 8.008 1.032 -14.994 1.00 0.00 H new ATOM 0 HD12 ILE A 6 8.275 -0.726 -15.064 1.00 0.00 H new ATOM 0 HD13 ILE A 6 8.726 0.298 -16.448 1.00 0.00 H new ATOM 97 N GLY A 7 3.908 -2.677 -19.127 1.00 0.00 N ATOM 98 CA GLY A 7 3.697 -3.624 -20.206 1.00 0.00 C ATOM 99 C GLY A 7 3.177 -2.961 -21.466 1.00 0.00 C ATOM 100 O GLY A 7 3.712 -1.944 -21.908 1.00 0.00 O ATOM 0 H GLY A 7 3.215 -1.931 -19.070 1.00 0.00 H new ATOM 0 HA2 GLY A 7 4.635 -4.133 -20.428 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.989 -4.387 -19.882 1.00 0.00 H new ATOM 104 N LYS A 8 2.132 -3.538 -22.048 1.00 0.00 N ATOM 105 CA LYS A 8 1.538 -2.998 -23.266 1.00 0.00 C ATOM 106 C LYS A 8 0.127 -2.484 -23.002 1.00 0.00 C ATOM 107 O LYS A 8 -0.344 -2.491 -21.865 1.00 0.00 O ATOM 108 CB LYS A 8 1.507 -4.068 -24.360 1.00 0.00 C ATOM 109 CG LYS A 8 1.130 -5.448 -23.851 1.00 0.00 C ATOM 110 CD LYS A 8 1.195 -6.488 -24.957 1.00 0.00 C ATOM 111 CE LYS A 8 2.608 -7.020 -25.139 1.00 0.00 C ATOM 112 NZ LYS A 8 2.964 -8.017 -24.093 1.00 0.00 N ATOM 0 H LYS A 8 1.678 -4.381 -21.696 1.00 0.00 H new ATOM 0 HA LYS A 8 2.153 -2.162 -23.601 1.00 0.00 H new ATOM 0 HB2 LYS A 8 0.797 -3.768 -25.130 1.00 0.00 H new ATOM 0 HB3 LYS A 8 2.487 -4.120 -24.833 1.00 0.00 H new ATOM 0 HG2 LYS A 8 1.802 -5.734 -23.042 1.00 0.00 H new ATOM 0 HG3 LYS A 8 0.123 -5.421 -23.435 1.00 0.00 H new ATOM 0 HD2 LYS A 8 0.522 -7.313 -24.722 1.00 0.00 H new ATOM 0 HD3 LYS A 8 0.847 -6.049 -25.892 1.00 0.00 H new ATOM 0 HE2 LYS A 8 2.699 -7.478 -26.124 1.00 0.00 H new ATOM 0 HE3 LYS A 8 3.315 -6.191 -25.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 3.992 -8.005 -23.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 2.477 -7.778 -23.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 2.672 -8.966 -24.404 1.00 0.00 H new ATOM 126 N SER A 9 -0.545 -2.042 -24.060 1.00 0.00 N ATOM 127 CA SER A 9 -1.902 -1.522 -23.942 1.00 0.00 C ATOM 128 C SER A 9 -2.902 -2.657 -23.737 1.00 0.00 C ATOM 129 O SER A 9 -3.968 -2.460 -23.155 1.00 0.00 O ATOM 130 CB SER A 9 -2.274 -0.719 -25.190 1.00 0.00 C ATOM 131 OG SER A 9 -1.121 -0.169 -25.805 1.00 0.00 O ATOM 0 H SER A 9 -0.172 -2.034 -25.009 1.00 0.00 H new ATOM 0 HA SER A 9 -1.939 -0.866 -23.072 1.00 0.00 H new ATOM 0 HB2 SER A 9 -2.796 -1.363 -25.898 1.00 0.00 H new ATOM 0 HB3 SER A 9 -2.963 0.081 -24.919 1.00 0.00 H new ATOM 0 HG SER A 9 -0.858 0.650 -25.334 1.00 0.00 H new ATOM 137 N GLU A 10 -2.548 -3.843 -24.222 1.00 0.00 N ATOM 138 CA GLU A 10 -3.415 -5.009 -24.093 1.00 0.00 C ATOM 139 C GLU A 10 -3.330 -5.597 -22.687 1.00 0.00 C ATOM 140 O GLU A 10 -4.284 -6.203 -22.197 1.00 0.00 O ATOM 141 CB GLU A 10 -3.034 -6.072 -25.125 1.00 0.00 C ATOM 142 CG GLU A 10 -3.088 -5.574 -26.560 1.00 0.00 C ATOM 143 CD GLU A 10 -3.882 -6.494 -27.467 1.00 0.00 C ATOM 144 OE1 GLU A 10 -3.883 -7.717 -27.216 1.00 0.00 O ATOM 145 OE2 GLU A 10 -4.502 -5.991 -28.427 1.00 0.00 O ATOM 0 H GLU A 10 -1.669 -4.022 -24.707 1.00 0.00 H new ATOM 0 HA GLU A 10 -4.441 -4.689 -24.273 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -2.027 -6.430 -24.911 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -3.704 -6.925 -25.020 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -3.533 -4.579 -26.579 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -2.073 -5.477 -26.945 1.00 0.00 H new ATOM 152 N PHE A 11 -2.183 -5.413 -22.043 1.00 0.00 N ATOM 153 CA PHE A 11 -1.972 -5.926 -20.694 1.00 0.00 C ATOM 154 C PHE A 11 -2.775 -5.122 -19.675 1.00 0.00 C ATOM 155 O PHE A 11 -3.543 -5.681 -18.892 1.00 0.00 O ATOM 156 CB PHE A 11 -0.485 -5.884 -20.336 1.00 0.00 C ATOM 157 CG PHE A 11 0.029 -7.174 -19.763 1.00 0.00 C ATOM 158 CD1 PHE A 11 -0.462 -7.658 -18.561 1.00 0.00 C ATOM 159 CD2 PHE A 11 1.004 -7.902 -20.425 1.00 0.00 C ATOM 160 CE1 PHE A 11 0.011 -8.843 -18.031 1.00 0.00 C ATOM 161 CE2 PHE A 11 1.480 -9.089 -19.900 1.00 0.00 C ATOM 162 CZ PHE A 11 0.982 -9.560 -18.702 1.00 0.00 C ATOM 0 H PHE A 11 -1.385 -4.912 -22.433 1.00 0.00 H new ATOM 0 HA PHE A 11 -2.316 -6.960 -20.667 1.00 0.00 H new ATOM 0 HB2 PHE A 11 0.089 -5.638 -21.229 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -0.315 -5.083 -19.617 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -1.223 -7.103 -18.033 1.00 0.00 H new ATOM 0 HD2 PHE A 11 1.397 -7.538 -21.363 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -0.378 -9.208 -17.092 1.00 0.00 H new ATOM 0 HE2 PHE A 11 2.240 -9.647 -20.426 1.00 0.00 H new ATOM 0 HZ PHE A 11 1.351 -10.488 -18.290 1.00 0.00 H new ATOM 172 N VAL A 12 -2.590 -3.805 -19.691 1.00 0.00 N ATOM 173 CA VAL A 12 -3.297 -2.923 -18.770 1.00 0.00 C ATOM 174 C VAL A 12 -4.793 -3.217 -18.766 1.00 0.00 C ATOM 175 O VAL A 12 -5.464 -3.069 -17.744 1.00 0.00 O ATOM 176 CB VAL A 12 -3.076 -1.442 -19.131 1.00 0.00 C ATOM 177 CG1 VAL A 12 -1.593 -1.146 -19.291 1.00 0.00 C ATOM 178 CG2 VAL A 12 -3.840 -1.084 -20.397 1.00 0.00 C ATOM 0 H VAL A 12 -1.957 -3.326 -20.331 1.00 0.00 H new ATOM 0 HA VAL A 12 -2.891 -3.111 -17.776 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.458 -0.826 -18.317 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.457 -0.095 -19.546 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.076 -1.362 -18.356 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -1.181 -1.768 -20.086 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -3.673 -0.034 -20.638 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -3.490 -1.706 -21.221 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -4.905 -1.255 -20.240 1.00 0.00 H new ATOM 188 N THR A 13 -5.311 -3.635 -19.916 1.00 0.00 N ATOM 189 CA THR A 13 -6.728 -3.949 -20.047 1.00 0.00 C ATOM 190 C THR A 13 -7.207 -4.818 -18.889 1.00 0.00 C ATOM 191 O THR A 13 -8.363 -4.736 -18.475 1.00 0.00 O ATOM 192 CB THR A 13 -7.024 -4.673 -21.374 1.00 0.00 C ATOM 193 OG1 THR A 13 -6.538 -3.896 -22.474 1.00 0.00 O ATOM 194 CG2 THR A 13 -8.517 -4.916 -21.537 1.00 0.00 C ATOM 0 H THR A 13 -4.770 -3.764 -20.771 1.00 0.00 H new ATOM 0 HA THR A 13 -7.264 -3.000 -20.033 1.00 0.00 H new ATOM 0 HB THR A 13 -6.516 -5.637 -21.358 1.00 0.00 H new ATOM 0 HG1 THR A 13 -6.728 -4.363 -23.314 1.00 0.00 H new ATOM 0 HG21 THR A 13 -8.701 -5.428 -22.481 1.00 0.00 H new ATOM 0 HG22 THR A 13 -8.877 -5.532 -20.713 1.00 0.00 H new ATOM 0 HG23 THR A 13 -9.044 -3.962 -21.533 1.00 0.00 H new ATOM 202 N GLY A 14 -6.311 -5.652 -18.371 1.00 0.00 N ATOM 203 CA GLY A 14 -6.662 -6.524 -17.265 1.00 0.00 C ATOM 204 C GLY A 14 -6.740 -5.784 -15.945 1.00 0.00 C ATOM 205 O GLY A 14 -7.703 -5.940 -15.193 1.00 0.00 O ATOM 0 H GLY A 14 -5.349 -5.740 -18.697 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -7.622 -6.997 -17.470 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -5.924 -7.322 -17.187 1.00 0.00 H new ATOM 209 N PHE A 15 -5.723 -4.977 -15.660 1.00 0.00 N ATOM 210 CA PHE A 15 -5.679 -4.211 -14.419 1.00 0.00 C ATOM 211 C PHE A 15 -6.637 -3.025 -14.478 1.00 0.00 C ATOM 212 O PHE A 15 -7.469 -2.841 -13.589 1.00 0.00 O ATOM 213 CB PHE A 15 -4.256 -3.719 -14.149 1.00 0.00 C ATOM 214 CG PHE A 15 -3.245 -4.826 -14.060 1.00 0.00 C ATOM 215 CD1 PHE A 15 -3.052 -5.513 -12.872 1.00 0.00 C ATOM 216 CD2 PHE A 15 -2.487 -5.180 -15.165 1.00 0.00 C ATOM 217 CE1 PHE A 15 -2.123 -6.532 -12.787 1.00 0.00 C ATOM 218 CE2 PHE A 15 -1.557 -6.199 -15.086 1.00 0.00 C ATOM 219 CZ PHE A 15 -1.374 -6.875 -13.895 1.00 0.00 C ATOM 0 H PHE A 15 -4.919 -4.836 -16.271 1.00 0.00 H new ATOM 0 HA PHE A 15 -5.990 -4.866 -13.605 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -3.961 -3.032 -14.942 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -4.246 -3.153 -13.217 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -3.635 -5.249 -12.002 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -2.625 -4.654 -16.098 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -1.983 -7.060 -11.855 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -0.974 -6.467 -15.955 1.00 0.00 H new ATOM 0 HZ PHE A 15 -0.646 -7.670 -13.831 1.00 0.00 H new ATOM 229 N ARG A 16 -6.514 -2.224 -15.531 1.00 0.00 N ATOM 230 CA ARG A 16 -7.367 -1.055 -15.705 1.00 0.00 C ATOM 231 C ARG A 16 -8.825 -1.397 -15.414 1.00 0.00 C ATOM 232 O ARG A 16 -9.591 -0.554 -14.946 1.00 0.00 O ATOM 233 CB ARG A 16 -7.234 -0.508 -17.128 1.00 0.00 C ATOM 234 CG ARG A 16 -6.146 0.544 -17.277 1.00 0.00 C ATOM 235 CD ARG A 16 -6.558 1.864 -16.645 1.00 0.00 C ATOM 236 NE ARG A 16 -6.621 2.944 -17.627 1.00 0.00 N ATOM 237 CZ ARG A 16 -5.552 3.588 -18.081 1.00 0.00 C ATOM 238 NH1 ARG A 16 -4.343 3.263 -17.644 1.00 0.00 N ATOM 239 NH2 ARG A 16 -5.691 4.560 -18.974 1.00 0.00 N ATOM 0 H ARG A 16 -5.832 -2.363 -16.276 1.00 0.00 H new ATOM 0 HA ARG A 16 -7.043 -0.292 -14.998 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -7.024 -1.334 -17.808 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -8.188 -0.078 -17.434 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -5.227 0.187 -16.811 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -5.929 0.697 -18.334 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -7.532 1.750 -16.169 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -5.848 2.128 -15.861 1.00 0.00 H new ATOM 0 HE ARG A 16 -7.536 3.218 -17.983 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -4.232 2.517 -16.958 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -3.524 3.759 -17.994 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -6.619 4.813 -19.312 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -4.869 5.054 -19.322 1.00 0.00 H new ATOM 253 N LEU A 17 -9.203 -2.639 -15.696 1.00 0.00 N ATOM 254 CA LEU A 17 -10.570 -3.094 -15.466 1.00 0.00 C ATOM 255 C LEU A 17 -10.950 -2.952 -13.996 1.00 0.00 C ATOM 256 O LEU A 17 -12.018 -2.435 -13.668 1.00 0.00 O ATOM 257 CB LEU A 17 -10.724 -4.551 -15.905 1.00 0.00 C ATOM 258 CG LEU A 17 -11.642 -4.797 -17.103 1.00 0.00 C ATOM 259 CD1 LEU A 17 -11.734 -6.284 -17.409 1.00 0.00 C ATOM 260 CD2 LEU A 17 -13.025 -4.218 -16.843 1.00 0.00 C ATOM 0 H LEU A 17 -8.582 -3.349 -16.084 1.00 0.00 H new ATOM 0 HA LEU A 17 -11.239 -2.470 -16.058 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -9.736 -4.944 -16.143 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -11.101 -5.127 -15.060 1.00 0.00 H new ATOM 0 HG LEU A 17 -11.217 -4.294 -17.971 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -12.391 -6.439 -18.264 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -10.741 -6.670 -17.640 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -12.135 -6.810 -16.543 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -13.665 -4.402 -17.706 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -13.458 -4.692 -15.962 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -12.944 -3.144 -16.674 1.00 0.00 H new ATOM 272 N ALA A 18 -10.069 -3.412 -13.114 1.00 0.00 N ATOM 273 CA ALA A 18 -10.310 -3.332 -11.679 1.00 0.00 C ATOM 274 C ALA A 18 -9.862 -1.986 -11.121 1.00 0.00 C ATOM 275 O ALA A 18 -10.281 -1.581 -10.037 1.00 0.00 O ATOM 276 CB ALA A 18 -9.598 -4.468 -10.960 1.00 0.00 C ATOM 0 H ALA A 18 -9.181 -3.844 -13.369 1.00 0.00 H new ATOM 0 HA ALA A 18 -11.383 -3.426 -11.510 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -9.787 -4.396 -9.889 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -9.970 -5.423 -11.330 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -8.526 -4.400 -11.145 1.00 0.00 H new ATOM 282 N GLY A 19 -9.006 -1.296 -11.869 1.00 0.00 N ATOM 283 CA GLY A 19 -8.514 -0.002 -11.431 1.00 0.00 C ATOM 284 C GLY A 19 -7.649 -0.101 -10.190 1.00 0.00 C ATOM 285 O GLY A 19 -7.329 0.912 -9.567 1.00 0.00 O ATOM 0 H GLY A 19 -8.645 -1.610 -12.770 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -7.939 0.456 -12.236 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -9.360 0.656 -11.229 1.00 0.00 H new ATOM 289 N ILE A 20 -7.271 -1.322 -9.830 1.00 0.00 N ATOM 290 CA ILE A 20 -6.439 -1.548 -8.654 1.00 0.00 C ATOM 291 C ILE A 20 -5.033 -1.986 -9.052 1.00 0.00 C ATOM 292 O ILE A 20 -4.523 -2.993 -8.561 1.00 0.00 O ATOM 293 CB ILE A 20 -7.052 -2.613 -7.726 1.00 0.00 C ATOM 294 CG1 ILE A 20 -8.558 -2.385 -7.578 1.00 0.00 C ATOM 295 CG2 ILE A 20 -6.371 -2.586 -6.366 1.00 0.00 C ATOM 296 CD1 ILE A 20 -9.192 -3.222 -6.489 1.00 0.00 C ATOM 0 H ILE A 20 -7.527 -2.170 -10.335 1.00 0.00 H new ATOM 0 HA ILE A 20 -6.385 -0.600 -8.119 1.00 0.00 H new ATOM 0 HB ILE A 20 -6.894 -3.596 -8.170 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -8.739 -1.331 -7.367 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -9.046 -2.608 -8.527 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -6.815 -3.344 -5.721 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -5.307 -2.791 -6.488 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -6.502 -1.603 -5.913 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -10.260 -3.008 -6.441 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -9.043 -4.279 -6.709 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -8.731 -2.982 -5.531 1.00 0.00 H new ATOM 308 N SER A 21 -4.411 -1.222 -9.944 1.00 0.00 N ATOM 309 CA SER A 21 -3.065 -1.532 -10.410 1.00 0.00 C ATOM 310 C SER A 21 -2.626 -0.553 -11.495 1.00 0.00 C ATOM 311 O SER A 21 -3.180 -0.538 -12.595 1.00 0.00 O ATOM 312 CB SER A 21 -3.004 -2.964 -10.944 1.00 0.00 C ATOM 313 OG SER A 21 -2.055 -3.736 -10.229 1.00 0.00 O ATOM 0 H SER A 21 -4.818 -0.384 -10.358 1.00 0.00 H new ATOM 0 HA SER A 21 -2.384 -1.438 -9.564 1.00 0.00 H new ATOM 0 HB2 SER A 21 -3.988 -3.427 -10.865 1.00 0.00 H new ATOM 0 HB3 SER A 21 -2.743 -2.950 -12.002 1.00 0.00 H new ATOM 0 HG SER A 21 -1.938 -4.602 -10.672 1.00 0.00 H new ATOM 319 N LYS A 22 -1.628 0.264 -11.178 1.00 0.00 N ATOM 320 CA LYS A 22 -1.112 1.246 -12.125 1.00 0.00 C ATOM 321 C LYS A 22 -0.170 0.591 -13.129 1.00 0.00 C ATOM 322 O LYS A 22 0.971 0.263 -12.803 1.00 0.00 O ATOM 323 CB LYS A 22 -0.383 2.367 -11.381 1.00 0.00 C ATOM 324 CG LYS A 22 -0.883 3.757 -11.733 1.00 0.00 C ATOM 325 CD LYS A 22 -2.296 3.987 -11.223 1.00 0.00 C ATOM 326 CE LYS A 22 -2.297 4.781 -9.925 1.00 0.00 C ATOM 327 NZ LYS A 22 -3.566 5.537 -9.739 1.00 0.00 N ATOM 0 H LYS A 22 -1.160 0.266 -10.272 1.00 0.00 H new ATOM 0 HA LYS A 22 -1.957 1.668 -12.669 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -0.494 2.211 -10.308 1.00 0.00 H new ATOM 0 HB3 LYS A 22 0.682 2.306 -11.603 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -0.215 4.504 -11.305 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -0.859 3.890 -12.815 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -2.874 4.520 -11.978 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -2.788 3.027 -11.064 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -2.152 4.103 -9.084 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -1.457 5.475 -9.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -3.528 6.065 -8.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -3.692 6.202 -10.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -4.366 4.872 -9.715 1.00 0.00 H new ATOM 341 N VAL A 23 -0.654 0.404 -14.353 1.00 0.00 N ATOM 342 CA VAL A 23 0.146 -0.210 -15.406 1.00 0.00 C ATOM 343 C VAL A 23 0.407 0.773 -16.542 1.00 0.00 C ATOM 344 O VAL A 23 -0.438 1.611 -16.858 1.00 0.00 O ATOM 345 CB VAL A 23 -0.542 -1.465 -15.975 1.00 0.00 C ATOM 346 CG1 VAL A 23 0.392 -2.203 -16.922 1.00 0.00 C ATOM 347 CG2 VAL A 23 -1.003 -2.377 -14.848 1.00 0.00 C ATOM 0 H VAL A 23 -1.596 0.669 -14.640 1.00 0.00 H new ATOM 0 HA VAL A 23 1.095 -0.499 -14.954 1.00 0.00 H new ATOM 0 HB VAL A 23 -1.420 -1.152 -16.540 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -0.111 -3.087 -17.314 1.00 0.00 H new ATOM 0 HG12 VAL A 23 0.667 -1.546 -17.747 1.00 0.00 H new ATOM 0 HG13 VAL A 23 1.291 -2.506 -16.384 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -1.487 -3.259 -15.268 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -0.143 -2.684 -14.253 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.710 -1.843 -14.214 1.00 0.00 H new ATOM 357 N TYR A 24 1.581 0.664 -17.153 1.00 0.00 N ATOM 358 CA TYR A 24 1.954 1.545 -18.254 1.00 0.00 C ATOM 359 C TYR A 24 1.965 0.788 -19.578 1.00 0.00 C ATOM 360 O TYR A 24 1.787 -0.429 -19.610 1.00 0.00 O ATOM 361 CB TYR A 24 3.329 2.164 -17.996 1.00 0.00 C ATOM 362 CG TYR A 24 3.366 3.074 -16.789 1.00 0.00 C ATOM 363 CD1 TYR A 24 2.355 3.998 -16.559 1.00 0.00 C ATOM 364 CD2 TYR A 24 4.413 3.008 -15.877 1.00 0.00 C ATOM 365 CE1 TYR A 24 2.386 4.832 -15.458 1.00 0.00 C ATOM 366 CE2 TYR A 24 4.452 3.837 -14.773 1.00 0.00 C ATOM 367 CZ TYR A 24 3.436 4.748 -14.568 1.00 0.00 C ATOM 368 OH TYR A 24 3.470 5.575 -13.469 1.00 0.00 O ATOM 0 H TYR A 24 2.291 -0.025 -16.905 1.00 0.00 H new ATOM 0 HA TYR A 24 1.211 2.340 -18.317 1.00 0.00 H new ATOM 0 HB2 TYR A 24 4.058 1.365 -17.861 1.00 0.00 H new ATOM 0 HB3 TYR A 24 3.635 2.729 -18.876 1.00 0.00 H new ATOM 0 HD1 TYR A 24 1.530 4.066 -17.253 1.00 0.00 H new ATOM 0 HD2 TYR A 24 5.210 2.296 -16.034 1.00 0.00 H new ATOM 0 HE1 TYR A 24 1.592 5.546 -15.295 1.00 0.00 H new ATOM 0 HE2 TYR A 24 5.273 3.773 -14.074 1.00 0.00 H new ATOM 0 HH TYR A 24 4.275 5.387 -12.943 1.00 0.00 H new ATOM 378 N GLU A 25 2.176 1.518 -20.668 1.00 0.00 N ATOM 379 CA GLU A 25 2.211 0.916 -21.996 1.00 0.00 C ATOM 380 C GLU A 25 3.409 1.424 -22.793 1.00 0.00 C ATOM 381 O GLU A 25 3.432 2.573 -23.236 1.00 0.00 O ATOM 382 CB GLU A 25 0.915 1.219 -22.752 1.00 0.00 C ATOM 383 CG GLU A 25 -0.341 0.894 -21.961 1.00 0.00 C ATOM 384 CD GLU A 25 -1.584 1.529 -22.553 1.00 0.00 C ATOM 385 OE1 GLU A 25 -1.574 1.833 -23.765 1.00 0.00 O ATOM 386 OE2 GLU A 25 -2.566 1.722 -21.807 1.00 0.00 O ATOM 0 H GLU A 25 2.325 2.527 -20.658 1.00 0.00 H new ATOM 0 HA GLU A 25 2.309 -0.163 -21.875 1.00 0.00 H new ATOM 0 HB2 GLU A 25 0.901 2.275 -23.023 1.00 0.00 H new ATOM 0 HB3 GLU A 25 0.906 0.651 -23.682 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -0.473 -0.187 -21.924 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -0.217 1.236 -20.933 1.00 0.00 H new ATOM 393 N THR A 26 4.403 0.560 -22.972 1.00 0.00 N ATOM 394 CA THR A 26 5.605 0.921 -23.713 1.00 0.00 C ATOM 395 C THR A 26 5.739 0.086 -24.981 1.00 0.00 C ATOM 396 O THR A 26 6.500 -0.881 -25.039 1.00 0.00 O ATOM 397 CB THR A 26 6.871 0.738 -22.855 1.00 0.00 C ATOM 398 OG1 THR A 26 7.024 -0.639 -22.495 1.00 0.00 O ATOM 399 CG2 THR A 26 6.800 1.591 -21.598 1.00 0.00 C ATOM 0 H THR A 26 4.399 -0.395 -22.614 1.00 0.00 H new ATOM 0 HA THR A 26 5.507 1.973 -23.982 1.00 0.00 H new ATOM 0 HB THR A 26 7.731 1.057 -23.443 1.00 0.00 H new ATOM 0 HG1 THR A 26 6.688 -1.206 -23.220 1.00 0.00 H new ATOM 0 HG21 THR A 26 7.705 1.445 -21.008 1.00 0.00 H new ATOM 0 HG22 THR A 26 6.713 2.641 -21.876 1.00 0.00 H new ATOM 0 HG23 THR A 26 5.931 1.298 -21.008 1.00 0.00 H new ATOM 407 N PRO A 27 4.985 0.464 -26.023 1.00 0.00 N ATOM 408 CA PRO A 27 5.004 -0.236 -27.311 1.00 0.00 C ATOM 409 C PRO A 27 6.315 -0.034 -28.062 1.00 0.00 C ATOM 410 O PRO A 27 6.876 -0.979 -28.618 1.00 0.00 O ATOM 411 CB PRO A 27 3.844 0.402 -28.079 1.00 0.00 C ATOM 412 CG PRO A 27 3.689 1.755 -27.476 1.00 0.00 C ATOM 413 CD PRO A 27 4.055 1.607 -26.025 1.00 0.00 C ATOM 0 HA PRO A 27 4.910 -1.315 -27.189 1.00 0.00 H new ATOM 0 HB2 PRO A 27 4.063 0.466 -29.145 1.00 0.00 H new ATOM 0 HB3 PRO A 27 2.931 -0.184 -27.976 1.00 0.00 H new ATOM 0 HG2 PRO A 27 4.337 2.479 -27.970 1.00 0.00 H new ATOM 0 HG3 PRO A 27 2.666 2.116 -27.586 1.00 0.00 H new ATOM 0 HD2 PRO A 27 4.526 2.509 -25.635 1.00 0.00 H new ATOM 0 HD3 PRO A 27 3.178 1.413 -25.407 1.00 0.00 H new ATOM 421 N ASP A 28 6.800 1.203 -28.073 1.00 0.00 N ATOM 422 CA ASP A 28 8.048 1.529 -28.755 1.00 0.00 C ATOM 423 C ASP A 28 9.218 1.527 -27.777 1.00 0.00 C ATOM 424 O ASP A 28 9.046 1.798 -26.588 1.00 0.00 O ATOM 425 CB ASP A 28 7.939 2.893 -29.438 1.00 0.00 C ATOM 426 CG ASP A 28 6.557 3.149 -30.004 1.00 0.00 C ATOM 427 OD1 ASP A 28 6.224 2.553 -31.051 1.00 0.00 O ATOM 428 OD2 ASP A 28 5.807 3.944 -29.401 1.00 0.00 O ATOM 0 H ASP A 28 6.348 1.996 -27.618 1.00 0.00 H new ATOM 0 HA ASP A 28 8.230 0.766 -29.512 1.00 0.00 H new ATOM 0 HB2 ASP A 28 8.185 3.676 -28.721 1.00 0.00 H new ATOM 0 HB3 ASP A 28 8.674 2.954 -30.241 1.00 0.00 H new ATOM 433 N ILE A 29 10.407 1.219 -28.284 1.00 0.00 N ATOM 434 CA ILE A 29 11.605 1.182 -27.455 1.00 0.00 C ATOM 435 C ILE A 29 11.967 2.575 -26.951 1.00 0.00 C ATOM 436 O ILE A 29 12.324 2.767 -25.788 1.00 0.00 O ATOM 437 CB ILE A 29 12.804 0.599 -28.225 1.00 0.00 C ATOM 438 CG1 ILE A 29 13.979 1.579 -28.200 1.00 0.00 C ATOM 439 CG2 ILE A 29 12.408 0.275 -29.657 1.00 0.00 C ATOM 440 CD1 ILE A 29 15.249 1.014 -28.798 1.00 0.00 C ATOM 0 H ILE A 29 10.566 0.991 -29.265 1.00 0.00 H new ATOM 0 HA ILE A 29 11.382 0.537 -26.605 1.00 0.00 H new ATOM 0 HB ILE A 29 13.115 -0.325 -27.738 1.00 0.00 H new ATOM 0 HG12 ILE A 29 13.701 2.481 -28.744 1.00 0.00 H new ATOM 0 HG13 ILE A 29 14.173 1.875 -27.169 1.00 0.00 H new ATOM 0 HG21 ILE A 29 13.267 -0.136 -30.188 1.00 0.00 H new ATOM 0 HG22 ILE A 29 11.599 -0.456 -29.654 1.00 0.00 H new ATOM 0 HG23 ILE A 29 12.074 1.184 -30.157 1.00 0.00 H new ATOM 0 HD11 ILE A 29 16.040 1.763 -28.747 1.00 0.00 H new ATOM 0 HD12 ILE A 29 15.551 0.128 -28.240 1.00 0.00 H new ATOM 0 HD13 ILE A 29 15.072 0.744 -29.839 1.00 0.00 H new ATOM 452 N PRO A 30 11.872 3.571 -27.844 1.00 0.00 N ATOM 453 CA PRO A 30 12.184 4.964 -27.512 1.00 0.00 C ATOM 454 C PRO A 30 11.154 5.579 -26.570 1.00 0.00 C ATOM 455 O PRO A 30 11.501 6.347 -25.672 1.00 0.00 O ATOM 456 CB PRO A 30 12.153 5.668 -28.870 1.00 0.00 C ATOM 457 CG PRO A 30 11.254 4.830 -29.711 1.00 0.00 C ATOM 458 CD PRO A 30 11.454 3.413 -29.247 1.00 0.00 C ATOM 0 HA PRO A 30 13.137 5.055 -26.991 1.00 0.00 H new ATOM 0 HB2 PRO A 30 11.775 6.686 -28.779 1.00 0.00 H new ATOM 0 HB3 PRO A 30 13.151 5.736 -29.303 1.00 0.00 H new ATOM 0 HG2 PRO A 30 10.214 5.136 -29.595 1.00 0.00 H new ATOM 0 HG3 PRO A 30 11.500 4.933 -30.768 1.00 0.00 H new ATOM 0 HD2 PRO A 30 10.537 2.829 -29.330 1.00 0.00 H new ATOM 0 HD3 PRO A 30 12.213 2.900 -29.837 1.00 0.00 H new ATOM 466 N ALA A 31 9.888 5.237 -26.780 1.00 0.00 N ATOM 467 CA ALA A 31 8.808 5.754 -25.948 1.00 0.00 C ATOM 468 C ALA A 31 8.913 5.225 -24.522 1.00 0.00 C ATOM 469 O ALA A 31 8.373 5.817 -23.587 1.00 0.00 O ATOM 470 CB ALA A 31 7.458 5.393 -26.550 1.00 0.00 C ATOM 0 H ALA A 31 9.584 4.604 -27.520 1.00 0.00 H new ATOM 0 HA ALA A 31 8.898 6.840 -25.912 1.00 0.00 H new ATOM 0 HB1 ALA A 31 6.661 5.785 -25.918 1.00 0.00 H new ATOM 0 HB2 ALA A 31 7.377 5.826 -27.547 1.00 0.00 H new ATOM 0 HB3 ALA A 31 7.368 4.309 -26.617 1.00 0.00 H new ATOM 476 N THR A 32 9.610 4.105 -24.361 1.00 0.00 N ATOM 477 CA THR A 32 9.784 3.494 -23.049 1.00 0.00 C ATOM 478 C THR A 32 10.294 4.510 -22.033 1.00 0.00 C ATOM 479 O THR A 32 9.903 4.484 -20.866 1.00 0.00 O ATOM 480 CB THR A 32 10.764 2.307 -23.106 1.00 0.00 C ATOM 481 OG1 THR A 32 10.270 1.307 -24.004 1.00 0.00 O ATOM 482 CG2 THR A 32 10.963 1.702 -21.725 1.00 0.00 C ATOM 0 H THR A 32 10.064 3.602 -25.124 1.00 0.00 H new ATOM 0 HA THR A 32 8.804 3.132 -22.738 1.00 0.00 H new ATOM 0 HB THR A 32 11.725 2.675 -23.465 1.00 0.00 H new ATOM 0 HG1 THR A 32 9.934 1.736 -24.819 1.00 0.00 H new ATOM 0 HG21 THR A 32 11.659 0.866 -21.791 1.00 0.00 H new ATOM 0 HG22 THR A 32 11.367 2.458 -21.051 1.00 0.00 H new ATOM 0 HG23 THR A 32 10.006 1.348 -21.341 1.00 0.00 H new ATOM 490 N GLU A 33 11.168 5.404 -22.484 1.00 0.00 N ATOM 491 CA GLU A 33 11.731 6.429 -21.613 1.00 0.00 C ATOM 492 C GLU A 33 10.626 7.258 -20.963 1.00 0.00 C ATOM 493 O GLU A 33 10.772 7.733 -19.838 1.00 0.00 O ATOM 494 CB GLU A 33 12.671 7.342 -22.403 1.00 0.00 C ATOM 495 CG GLU A 33 11.956 8.230 -23.407 1.00 0.00 C ATOM 496 CD GLU A 33 11.640 9.604 -22.849 1.00 0.00 C ATOM 497 OE1 GLU A 33 11.707 9.772 -21.614 1.00 0.00 O ATOM 498 OE2 GLU A 33 11.326 10.511 -23.648 1.00 0.00 O ATOM 0 H GLU A 33 11.502 5.439 -23.447 1.00 0.00 H new ATOM 0 HA GLU A 33 12.297 5.930 -20.827 1.00 0.00 H new ATOM 0 HB2 GLU A 33 13.225 7.970 -21.705 1.00 0.00 H new ATOM 0 HB3 GLU A 33 13.402 6.728 -22.929 1.00 0.00 H new ATOM 0 HG2 GLU A 33 12.575 8.337 -24.297 1.00 0.00 H new ATOM 0 HG3 GLU A 33 11.030 7.747 -23.719 1.00 0.00 H new ATOM 505 N SER A 34 9.521 7.426 -21.682 1.00 0.00 N ATOM 506 CA SER A 34 8.393 8.201 -21.179 1.00 0.00 C ATOM 507 C SER A 34 7.941 7.682 -19.818 1.00 0.00 C ATOM 508 O SER A 34 7.755 8.453 -18.877 1.00 0.00 O ATOM 509 CB SER A 34 7.228 8.148 -22.170 1.00 0.00 C ATOM 510 OG SER A 34 6.445 9.327 -22.100 1.00 0.00 O ATOM 0 H SER A 34 9.383 7.036 -22.614 1.00 0.00 H new ATOM 0 HA SER A 34 8.717 9.235 -21.065 1.00 0.00 H new ATOM 0 HB2 SER A 34 7.613 8.023 -23.182 1.00 0.00 H new ATOM 0 HB3 SER A 34 6.604 7.280 -21.957 1.00 0.00 H new ATOM 0 HG SER A 34 5.708 9.269 -22.744 1.00 0.00 H new ATOM 516 N ALA A 35 7.766 6.368 -19.721 1.00 0.00 N ATOM 517 CA ALA A 35 7.338 5.744 -18.476 1.00 0.00 C ATOM 518 C ALA A 35 8.413 5.868 -17.402 1.00 0.00 C ATOM 519 O ALA A 35 8.111 6.104 -16.232 1.00 0.00 O ATOM 520 CB ALA A 35 6.990 4.281 -18.711 1.00 0.00 C ATOM 0 H ALA A 35 7.914 5.715 -20.491 1.00 0.00 H new ATOM 0 HA ALA A 35 6.448 6.266 -18.124 1.00 0.00 H new ATOM 0 HB1 ALA A 35 6.672 3.827 -17.772 1.00 0.00 H new ATOM 0 HB2 ALA A 35 6.182 4.212 -19.440 1.00 0.00 H new ATOM 0 HB3 ALA A 35 7.866 3.755 -19.090 1.00 0.00 H new ATOM 526 N VAL A 36 9.669 5.707 -17.806 1.00 0.00 N ATOM 527 CA VAL A 36 10.789 5.802 -16.878 1.00 0.00 C ATOM 528 C VAL A 36 10.769 7.129 -16.127 1.00 0.00 C ATOM 529 O VAL A 36 11.231 7.216 -14.989 1.00 0.00 O ATOM 530 CB VAL A 36 12.137 5.659 -17.609 1.00 0.00 C ATOM 531 CG1 VAL A 36 13.293 5.932 -16.658 1.00 0.00 C ATOM 532 CG2 VAL A 36 12.262 4.276 -18.230 1.00 0.00 C ATOM 0 H VAL A 36 9.936 5.510 -18.770 1.00 0.00 H new ATOM 0 HA VAL A 36 10.681 4.983 -16.167 1.00 0.00 H new ATOM 0 HB VAL A 36 12.176 6.397 -18.410 1.00 0.00 H new ATOM 0 HG11 VAL A 36 14.237 5.826 -17.193 1.00 0.00 H new ATOM 0 HG12 VAL A 36 13.210 6.946 -16.266 1.00 0.00 H new ATOM 0 HG13 VAL A 36 13.261 5.220 -15.833 1.00 0.00 H new ATOM 0 HG21 VAL A 36 13.220 4.193 -18.742 1.00 0.00 H new ATOM 0 HG22 VAL A 36 12.202 3.519 -17.448 1.00 0.00 H new ATOM 0 HG23 VAL A 36 11.454 4.124 -18.945 1.00 0.00 H new ATOM 542 N ARG A 37 10.231 8.159 -16.770 1.00 0.00 N ATOM 543 CA ARG A 37 10.151 9.482 -16.163 1.00 0.00 C ATOM 544 C ARG A 37 9.416 9.424 -14.827 1.00 0.00 C ATOM 545 O ARG A 37 9.864 9.999 -13.835 1.00 0.00 O ATOM 546 CB ARG A 37 9.443 10.457 -17.105 1.00 0.00 C ATOM 547 CG ARG A 37 10.212 10.734 -18.387 1.00 0.00 C ATOM 548 CD ARG A 37 11.444 11.586 -18.124 1.00 0.00 C ATOM 549 NE ARG A 37 11.097 12.897 -17.583 1.00 0.00 N ATOM 550 CZ ARG A 37 10.655 13.905 -18.326 1.00 0.00 C ATOM 551 NH1 ARG A 37 10.505 13.753 -19.634 1.00 0.00 N ATOM 552 NH2 ARG A 37 10.360 15.069 -17.760 1.00 0.00 N ATOM 0 H ARG A 37 9.844 8.103 -17.712 1.00 0.00 H new ATOM 0 HA ARG A 37 11.167 9.834 -15.984 1.00 0.00 H new ATOM 0 HB2 ARG A 37 8.462 10.055 -17.359 1.00 0.00 H new ATOM 0 HB3 ARG A 37 9.276 11.398 -16.581 1.00 0.00 H new ATOM 0 HG2 ARG A 37 10.511 9.791 -18.844 1.00 0.00 H new ATOM 0 HG3 ARG A 37 9.562 11.242 -19.100 1.00 0.00 H new ATOM 0 HD2 ARG A 37 12.101 11.068 -17.425 1.00 0.00 H new ATOM 0 HD3 ARG A 37 12.002 11.713 -19.052 1.00 0.00 H new ATOM 0 HE ARG A 37 11.200 13.047 -16.579 1.00 0.00 H new ATOM 0 HH11 ARG A 37 10.729 12.860 -20.073 1.00 0.00 H new ATOM 0 HH12 ARG A 37 10.165 14.529 -20.202 1.00 0.00 H new ATOM 0 HH21 ARG A 37 10.473 15.190 -16.753 1.00 0.00 H new ATOM 0 HH22 ARG A 37 10.021 15.843 -18.332 1.00 0.00 H new ATOM 566 N SER A 38 8.285 8.726 -14.810 1.00 0.00 N ATOM 567 CA SER A 38 7.486 8.596 -13.598 1.00 0.00 C ATOM 568 C SER A 38 7.933 7.389 -12.778 1.00 0.00 C ATOM 569 O SER A 38 7.921 7.420 -11.548 1.00 0.00 O ATOM 570 CB SER A 38 6.003 8.465 -13.951 1.00 0.00 C ATOM 571 OG SER A 38 5.496 9.678 -14.481 1.00 0.00 O ATOM 0 H SER A 38 7.902 8.242 -15.622 1.00 0.00 H new ATOM 0 HA SER A 38 7.632 9.495 -12.999 1.00 0.00 H new ATOM 0 HB2 SER A 38 5.868 7.663 -14.677 1.00 0.00 H new ATOM 0 HB3 SER A 38 5.437 8.189 -13.061 1.00 0.00 H new ATOM 0 HG SER A 38 4.547 9.568 -14.700 1.00 0.00 H new ATOM 577 N VAL A 39 8.328 6.325 -13.471 1.00 0.00 N ATOM 578 CA VAL A 39 8.781 5.107 -12.809 1.00 0.00 C ATOM 579 C VAL A 39 10.010 5.374 -11.949 1.00 0.00 C ATOM 580 O VAL A 39 10.123 4.865 -10.833 1.00 0.00 O ATOM 581 CB VAL A 39 9.112 4.003 -13.831 1.00 0.00 C ATOM 582 CG1 VAL A 39 9.633 2.761 -13.125 1.00 0.00 C ATOM 583 CG2 VAL A 39 7.890 3.674 -14.675 1.00 0.00 C ATOM 0 H VAL A 39 8.343 6.282 -14.490 1.00 0.00 H new ATOM 0 HA VAL A 39 7.963 4.769 -12.173 1.00 0.00 H new ATOM 0 HB VAL A 39 9.895 4.370 -14.495 1.00 0.00 H new ATOM 0 HG11 VAL A 39 9.861 1.992 -13.863 1.00 0.00 H new ATOM 0 HG12 VAL A 39 10.537 3.011 -12.569 1.00 0.00 H new ATOM 0 HG13 VAL A 39 8.875 2.389 -12.436 1.00 0.00 H new ATOM 0 HG21 VAL A 39 8.142 2.892 -15.391 1.00 0.00 H new ATOM 0 HG22 VAL A 39 7.084 3.327 -14.028 1.00 0.00 H new ATOM 0 HG23 VAL A 39 7.567 4.567 -15.211 1.00 0.00 H new ATOM 593 N LEU A 40 10.930 6.176 -12.474 1.00 0.00 N ATOM 594 CA LEU A 40 12.153 6.512 -11.753 1.00 0.00 C ATOM 595 C LEU A 40 11.840 6.975 -10.334 1.00 0.00 C ATOM 596 O LEU A 40 12.642 6.790 -9.420 1.00 0.00 O ATOM 597 CB LEU A 40 12.925 7.602 -12.499 1.00 0.00 C ATOM 598 CG LEU A 40 12.328 9.008 -12.436 1.00 0.00 C ATOM 599 CD1 LEU A 40 12.796 9.731 -11.183 1.00 0.00 C ATOM 600 CD2 LEU A 40 12.699 9.801 -13.681 1.00 0.00 C ATOM 0 H LEU A 40 10.852 6.606 -13.396 1.00 0.00 H new ATOM 0 HA LEU A 40 12.769 5.614 -11.694 1.00 0.00 H new ATOM 0 HB2 LEU A 40 13.938 7.641 -12.099 1.00 0.00 H new ATOM 0 HB3 LEU A 40 13.007 7.310 -13.546 1.00 0.00 H new ATOM 0 HG LEU A 40 11.242 8.919 -12.396 1.00 0.00 H new ATOM 0 HD11 LEU A 40 12.361 10.730 -11.155 1.00 0.00 H new ATOM 0 HD12 LEU A 40 12.480 9.173 -10.302 1.00 0.00 H new ATOM 0 HD13 LEU A 40 13.883 9.809 -11.193 1.00 0.00 H new ATOM 0 HD21 LEU A 40 12.266 10.799 -13.619 1.00 0.00 H new ATOM 0 HD22 LEU A 40 13.784 9.880 -13.752 1.00 0.00 H new ATOM 0 HD23 LEU A 40 12.314 9.292 -14.565 1.00 0.00 H new ATOM 612 N GLU A 41 10.667 7.575 -10.159 1.00 0.00 N ATOM 613 CA GLU A 41 10.247 8.063 -8.850 1.00 0.00 C ATOM 614 C GLU A 41 9.207 7.135 -8.231 1.00 0.00 C ATOM 615 O GLU A 41 9.037 7.100 -7.012 1.00 0.00 O ATOM 616 CB GLU A 41 9.678 9.479 -8.968 1.00 0.00 C ATOM 617 CG GLU A 41 8.366 9.546 -9.730 1.00 0.00 C ATOM 618 CD GLU A 41 7.603 10.830 -9.468 1.00 0.00 C ATOM 619 OE1 GLU A 41 8.250 11.848 -9.145 1.00 0.00 O ATOM 620 OE2 GLU A 41 6.360 10.817 -9.585 1.00 0.00 O ATOM 0 H GLU A 41 9.991 7.735 -10.906 1.00 0.00 H new ATOM 0 HA GLU A 41 11.122 8.083 -8.200 1.00 0.00 H new ATOM 0 HB2 GLU A 41 9.529 9.886 -7.968 1.00 0.00 H new ATOM 0 HB3 GLU A 41 10.410 10.115 -9.465 1.00 0.00 H new ATOM 0 HG2 GLU A 41 8.566 9.458 -10.798 1.00 0.00 H new ATOM 0 HG3 GLU A 41 7.744 8.695 -9.451 1.00 0.00 H new ATOM 627 N ASP A 42 8.513 6.385 -9.080 1.00 0.00 N ATOM 628 CA ASP A 42 7.489 5.455 -8.617 1.00 0.00 C ATOM 629 C ASP A 42 8.102 4.104 -8.263 1.00 0.00 C ATOM 630 O ASP A 42 7.391 3.153 -7.936 1.00 0.00 O ATOM 631 CB ASP A 42 6.412 5.274 -9.688 1.00 0.00 C ATOM 632 CG ASP A 42 5.048 5.747 -9.224 1.00 0.00 C ATOM 633 OD1 ASP A 42 4.950 6.895 -8.744 1.00 0.00 O ATOM 634 OD2 ASP A 42 4.079 4.967 -9.338 1.00 0.00 O ATOM 0 H ASP A 42 8.641 6.403 -10.092 1.00 0.00 H new ATOM 0 HA ASP A 42 7.032 5.874 -7.720 1.00 0.00 H new ATOM 0 HB2 ASP A 42 6.699 5.825 -10.584 1.00 0.00 H new ATOM 0 HB3 ASP A 42 6.353 4.222 -9.966 1.00 0.00 H new ATOM 639 N LYS A 43 9.427 4.025 -8.330 1.00 0.00 N ATOM 640 CA LYS A 43 10.137 2.791 -8.016 1.00 0.00 C ATOM 641 C LYS A 43 10.307 2.629 -6.509 1.00 0.00 C ATOM 642 O LYS A 43 10.419 1.513 -6.004 1.00 0.00 O ATOM 643 CB LYS A 43 11.507 2.779 -8.698 1.00 0.00 C ATOM 644 CG LYS A 43 12.470 3.817 -8.147 1.00 0.00 C ATOM 645 CD LYS A 43 13.559 3.174 -7.304 1.00 0.00 C ATOM 646 CE LYS A 43 14.595 4.195 -6.860 1.00 0.00 C ATOM 647 NZ LYS A 43 15.041 3.959 -5.459 1.00 0.00 N ATOM 0 H LYS A 43 10.031 4.802 -8.599 1.00 0.00 H new ATOM 0 HA LYS A 43 9.544 1.956 -8.389 1.00 0.00 H new ATOM 0 HB2 LYS A 43 11.950 1.789 -8.587 1.00 0.00 H new ATOM 0 HB3 LYS A 43 11.373 2.950 -9.766 1.00 0.00 H new ATOM 0 HG2 LYS A 43 12.924 4.368 -8.971 1.00 0.00 H new ATOM 0 HG3 LYS A 43 11.921 4.540 -7.544 1.00 0.00 H new ATOM 0 HD2 LYS A 43 13.112 2.703 -6.428 1.00 0.00 H new ATOM 0 HD3 LYS A 43 14.046 2.385 -7.877 1.00 0.00 H new ATOM 0 HE2 LYS A 43 15.456 4.153 -7.527 1.00 0.00 H new ATOM 0 HE3 LYS A 43 14.176 5.198 -6.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 15.541 4.801 -5.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 14.213 3.772 -4.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 15.681 3.140 -5.432 1.00 0.00 H new ATOM 661 N SER A 44 10.324 3.751 -5.796 1.00 0.00 N ATOM 662 CA SER A 44 10.482 3.733 -4.346 1.00 0.00 C ATOM 663 C SER A 44 9.135 3.905 -3.651 1.00 0.00 C ATOM 664 O SER A 44 9.054 4.470 -2.560 1.00 0.00 O ATOM 665 CB SER A 44 11.442 4.839 -3.903 1.00 0.00 C ATOM 666 OG SER A 44 10.841 6.116 -4.028 1.00 0.00 O ATOM 0 H SER A 44 10.230 4.684 -6.199 1.00 0.00 H new ATOM 0 HA SER A 44 10.897 2.766 -4.062 1.00 0.00 H new ATOM 0 HB2 SER A 44 11.740 4.673 -2.868 1.00 0.00 H new ATOM 0 HB3 SER A 44 12.349 4.800 -4.506 1.00 0.00 H new ATOM 0 HG SER A 44 11.474 6.805 -3.737 1.00 0.00 H new ATOM 672 N VAL A 45 8.079 3.413 -4.290 1.00 0.00 N ATOM 673 CA VAL A 45 6.735 3.510 -3.734 1.00 0.00 C ATOM 674 C VAL A 45 6.273 2.169 -3.174 1.00 0.00 C ATOM 675 O VAL A 45 6.207 1.981 -1.960 1.00 0.00 O ATOM 676 CB VAL A 45 5.722 3.988 -4.793 1.00 0.00 C ATOM 677 CG1 VAL A 45 4.326 4.071 -4.197 1.00 0.00 C ATOM 678 CG2 VAL A 45 6.147 5.331 -5.368 1.00 0.00 C ATOM 0 H VAL A 45 8.128 2.943 -5.194 1.00 0.00 H new ATOM 0 HA VAL A 45 6.779 4.242 -2.927 1.00 0.00 H new ATOM 0 HB VAL A 45 5.701 3.261 -5.605 1.00 0.00 H new ATOM 0 HG11 VAL A 45 3.625 4.410 -4.959 1.00 0.00 H new ATOM 0 HG12 VAL A 45 4.024 3.087 -3.838 1.00 0.00 H new ATOM 0 HG13 VAL A 45 4.327 4.776 -3.365 1.00 0.00 H new ATOM 0 HG21 VAL A 45 5.421 5.654 -6.114 1.00 0.00 H new ATOM 0 HG22 VAL A 45 6.198 6.070 -4.568 1.00 0.00 H new ATOM 0 HG23 VAL A 45 7.127 5.233 -5.835 1.00 0.00 H new ATOM 688 N GLY A 46 5.955 1.239 -4.069 1.00 0.00 N ATOM 689 CA GLY A 46 5.504 -0.074 -3.645 1.00 0.00 C ATOM 690 C GLY A 46 6.151 -1.193 -4.436 1.00 0.00 C ATOM 691 O GLY A 46 7.377 -1.264 -4.534 1.00 0.00 O ATOM 0 H GLY A 46 6.001 1.371 -5.079 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.726 -0.206 -2.586 1.00 0.00 H new ATOM 0 HA3 GLY A 46 4.421 -0.135 -3.754 1.00 0.00 H new ATOM 695 N ILE A 47 5.328 -2.070 -5.000 1.00 0.00 N ATOM 696 CA ILE A 47 5.829 -3.191 -5.786 1.00 0.00 C ATOM 697 C ILE A 47 5.767 -2.887 -7.279 1.00 0.00 C ATOM 698 O ILE A 47 4.733 -2.460 -7.794 1.00 0.00 O ATOM 699 CB ILE A 47 5.031 -4.478 -5.502 1.00 0.00 C ATOM 700 CG1 ILE A 47 5.014 -4.773 -4.001 1.00 0.00 C ATOM 701 CG2 ILE A 47 5.625 -5.649 -6.271 1.00 0.00 C ATOM 702 CD1 ILE A 47 3.699 -4.438 -3.334 1.00 0.00 C ATOM 0 H ILE A 47 4.312 -2.026 -4.928 1.00 0.00 H new ATOM 0 HA ILE A 47 6.867 -3.344 -5.492 1.00 0.00 H new ATOM 0 HB ILE A 47 4.004 -4.332 -5.836 1.00 0.00 H new ATOM 0 HG12 ILE A 47 5.233 -5.829 -3.844 1.00 0.00 H new ATOM 0 HG13 ILE A 47 5.811 -4.207 -3.519 1.00 0.00 H new ATOM 0 HG21 ILE A 47 5.051 -6.551 -6.060 1.00 0.00 H new ATOM 0 HG22 ILE A 47 5.590 -5.438 -7.340 1.00 0.00 H new ATOM 0 HG23 ILE A 47 6.660 -5.798 -5.964 1.00 0.00 H new ATOM 0 HD11 ILE A 47 3.760 -4.673 -2.271 1.00 0.00 H new ATOM 0 HD12 ILE A 47 3.488 -3.376 -3.459 1.00 0.00 H new ATOM 0 HD13 ILE A 47 2.900 -5.023 -3.790 1.00 0.00 H new ATOM 714 N LEU A 48 6.879 -3.112 -7.969 1.00 0.00 N ATOM 715 CA LEU A 48 6.952 -2.864 -9.404 1.00 0.00 C ATOM 716 C LEU A 48 6.984 -4.175 -10.183 1.00 0.00 C ATOM 717 O LEU A 48 7.406 -5.208 -9.662 1.00 0.00 O ATOM 718 CB LEU A 48 8.192 -2.030 -9.736 1.00 0.00 C ATOM 719 CG LEU A 48 8.318 -0.694 -9.003 1.00 0.00 C ATOM 720 CD1 LEU A 48 9.648 -0.611 -8.270 1.00 0.00 C ATOM 721 CD2 LEU A 48 8.171 0.465 -9.977 1.00 0.00 C ATOM 0 H LEU A 48 7.743 -3.466 -7.558 1.00 0.00 H new ATOM 0 HA LEU A 48 6.060 -2.310 -9.697 1.00 0.00 H new ATOM 0 HB2 LEU A 48 9.077 -2.627 -9.516 1.00 0.00 H new ATOM 0 HB3 LEU A 48 8.198 -1.835 -10.808 1.00 0.00 H new ATOM 0 HG LEU A 48 7.516 -0.628 -8.268 1.00 0.00 H new ATOM 0 HD11 LEU A 48 9.720 0.347 -7.754 1.00 0.00 H new ATOM 0 HD12 LEU A 48 9.714 -1.421 -7.543 1.00 0.00 H new ATOM 0 HD13 LEU A 48 10.465 -0.699 -8.987 1.00 0.00 H new ATOM 0 HD21 LEU A 48 8.263 1.408 -9.438 1.00 0.00 H new ATOM 0 HD22 LEU A 48 8.951 0.403 -10.736 1.00 0.00 H new ATOM 0 HD23 LEU A 48 7.193 0.416 -10.456 1.00 0.00 H new ATOM 733 N VAL A 49 6.538 -4.126 -11.434 1.00 0.00 N ATOM 734 CA VAL A 49 6.518 -5.309 -12.285 1.00 0.00 C ATOM 735 C VAL A 49 6.484 -4.924 -13.760 1.00 0.00 C ATOM 736 O VAL A 49 5.501 -4.365 -14.244 1.00 0.00 O ATOM 737 CB VAL A 49 5.305 -6.206 -11.973 1.00 0.00 C ATOM 738 CG1 VAL A 49 4.065 -5.360 -11.726 1.00 0.00 C ATOM 739 CG2 VAL A 49 5.069 -7.196 -13.103 1.00 0.00 C ATOM 0 H VAL A 49 6.186 -3.279 -11.881 1.00 0.00 H new ATOM 0 HA VAL A 49 7.433 -5.863 -12.077 1.00 0.00 H new ATOM 0 HB VAL A 49 5.517 -6.771 -11.065 1.00 0.00 H new ATOM 0 HG11 VAL A 49 3.218 -6.011 -11.507 1.00 0.00 H new ATOM 0 HG12 VAL A 49 4.240 -4.696 -10.880 1.00 0.00 H new ATOM 0 HG13 VAL A 49 3.847 -4.767 -12.614 1.00 0.00 H new ATOM 0 HG21 VAL A 49 4.208 -7.821 -12.865 1.00 0.00 H new ATOM 0 HG22 VAL A 49 4.878 -6.653 -14.029 1.00 0.00 H new ATOM 0 HG23 VAL A 49 5.951 -7.824 -13.226 1.00 0.00 H new ATOM 749 N MET A 50 7.566 -5.229 -14.470 1.00 0.00 N ATOM 750 CA MET A 50 7.659 -4.916 -15.892 1.00 0.00 C ATOM 751 C MET A 50 7.801 -6.189 -16.720 1.00 0.00 C ATOM 752 O MET A 50 7.956 -7.282 -16.175 1.00 0.00 O ATOM 753 CB MET A 50 8.846 -3.987 -16.154 1.00 0.00 C ATOM 754 CG MET A 50 9.146 -3.042 -15.002 1.00 0.00 C ATOM 755 SD MET A 50 10.585 -2.001 -15.312 1.00 0.00 S ATOM 756 CE MET A 50 11.833 -3.241 -15.648 1.00 0.00 C ATOM 0 H MET A 50 8.389 -5.692 -14.085 1.00 0.00 H new ATOM 0 HA MET A 50 6.740 -4.411 -16.189 1.00 0.00 H new ATOM 0 HB2 MET A 50 9.731 -4.590 -16.358 1.00 0.00 H new ATOM 0 HB3 MET A 50 8.647 -3.401 -17.051 1.00 0.00 H new ATOM 0 HG2 MET A 50 8.277 -2.409 -14.821 1.00 0.00 H new ATOM 0 HG3 MET A 50 9.312 -3.623 -14.095 1.00 0.00 H new ATOM 0 HE1 MET A 50 12.804 -2.881 -15.308 1.00 0.00 H new ATOM 0 HE2 MET A 50 11.582 -4.162 -15.121 1.00 0.00 H new ATOM 0 HE3 MET A 50 11.873 -3.436 -16.720 1.00 0.00 H new ATOM 766 N HIS A 51 7.748 -6.040 -18.040 1.00 0.00 N ATOM 767 CA HIS A 51 7.871 -7.178 -18.943 1.00 0.00 C ATOM 768 C HIS A 51 9.043 -6.987 -19.901 1.00 0.00 C ATOM 769 O HIS A 51 9.050 -6.063 -20.713 1.00 0.00 O ATOM 770 CB HIS A 51 6.577 -7.370 -19.735 1.00 0.00 C ATOM 771 CG HIS A 51 5.351 -7.414 -18.876 1.00 0.00 C ATOM 772 ND1 HIS A 51 4.656 -6.284 -18.498 1.00 0.00 N ATOM 773 CD2 HIS A 51 4.695 -8.460 -18.322 1.00 0.00 C ATOM 774 CE1 HIS A 51 3.626 -6.634 -17.748 1.00 0.00 C ATOM 775 NE2 HIS A 51 3.627 -7.949 -17.626 1.00 0.00 N ATOM 0 H HIS A 51 7.621 -5.142 -18.508 1.00 0.00 H new ATOM 0 HA HIS A 51 8.056 -8.068 -18.342 1.00 0.00 H new ATOM 0 HB2 HIS A 51 6.477 -6.558 -20.455 1.00 0.00 H new ATOM 0 HB3 HIS A 51 6.644 -8.296 -20.306 1.00 0.00 H new ATOM 0 HD1 HIS A 51 4.899 -5.328 -18.757 1.00 0.00 H new ATOM 0 HD2 HIS A 51 4.962 -9.503 -18.411 1.00 0.00 H new ATOM 0 HE1 HIS A 51 2.906 -5.959 -17.309 1.00 0.00 H new ATOM 783 N ASN A 52 10.034 -7.867 -19.799 1.00 0.00 N ATOM 784 CA ASN A 52 11.212 -7.795 -20.655 1.00 0.00 C ATOM 785 C ASN A 52 10.812 -7.683 -22.123 1.00 0.00 C ATOM 786 O ASN A 52 11.587 -7.209 -22.954 1.00 0.00 O ATOM 787 CB ASN A 52 12.096 -9.027 -20.449 1.00 0.00 C ATOM 788 CG ASN A 52 12.779 -9.028 -19.095 1.00 0.00 C ATOM 789 OD1 ASN A 52 12.951 -7.979 -18.473 1.00 0.00 O ATOM 790 ND2 ASN A 52 13.172 -10.208 -18.631 1.00 0.00 N ATOM 0 H ASN A 52 10.044 -8.638 -19.132 1.00 0.00 H new ATOM 0 HA ASN A 52 11.775 -6.903 -20.380 1.00 0.00 H new ATOM 0 HB2 ASN A 52 11.489 -9.927 -20.547 1.00 0.00 H new ATOM 0 HB3 ASN A 52 12.851 -9.064 -21.234 1.00 0.00 H new ATOM 0 HD21 ASN A 52 13.637 -10.271 -17.725 1.00 0.00 H new ATOM 0 HD22 ASN A 52 13.009 -11.052 -19.180 1.00 0.00 H new ATOM 797 N ASP A 53 9.597 -8.121 -22.434 1.00 0.00 N ATOM 798 CA ASP A 53 9.092 -8.069 -23.802 1.00 0.00 C ATOM 799 C ASP A 53 9.179 -6.651 -24.359 1.00 0.00 C ATOM 800 O ASP A 53 9.110 -6.445 -25.571 1.00 0.00 O ATOM 801 CB ASP A 53 7.646 -8.563 -23.853 1.00 0.00 C ATOM 802 CG ASP A 53 7.490 -9.809 -24.702 1.00 0.00 C ATOM 803 OD1 ASP A 53 8.240 -10.780 -24.473 1.00 0.00 O ATOM 804 OD2 ASP A 53 6.618 -9.812 -25.597 1.00 0.00 O ATOM 0 H ASP A 53 8.943 -8.516 -21.758 1.00 0.00 H new ATOM 0 HA ASP A 53 9.712 -8.721 -24.418 1.00 0.00 H new ATOM 0 HB2 ASP A 53 7.300 -8.771 -22.840 1.00 0.00 H new ATOM 0 HB3 ASP A 53 7.009 -7.773 -24.251 1.00 0.00 H new ATOM 809 N ASP A 54 9.328 -5.678 -23.467 1.00 0.00 N ATOM 810 CA ASP A 54 9.424 -4.280 -23.869 1.00 0.00 C ATOM 811 C ASP A 54 10.607 -3.598 -23.188 1.00 0.00 C ATOM 812 O ASP A 54 11.209 -2.679 -23.743 1.00 0.00 O ATOM 813 CB ASP A 54 8.129 -3.540 -23.530 1.00 0.00 C ATOM 814 CG ASP A 54 7.116 -3.599 -24.657 1.00 0.00 C ATOM 815 OD1 ASP A 54 7.485 -3.269 -25.803 1.00 0.00 O ATOM 816 OD2 ASP A 54 5.955 -3.976 -24.392 1.00 0.00 O ATOM 0 H ASP A 54 9.385 -5.832 -22.460 1.00 0.00 H new ATOM 0 HA ASP A 54 9.581 -4.248 -24.947 1.00 0.00 H new ATOM 0 HB2 ASP A 54 7.692 -3.972 -22.630 1.00 0.00 H new ATOM 0 HB3 ASP A 54 8.358 -2.498 -23.305 1.00 0.00 H new ATOM 821 N ILE A 55 10.933 -4.055 -21.984 1.00 0.00 N ATOM 822 CA ILE A 55 12.044 -3.489 -21.228 1.00 0.00 C ATOM 823 C ILE A 55 13.384 -3.945 -21.796 1.00 0.00 C ATOM 824 O ILE A 55 14.347 -3.181 -21.831 1.00 0.00 O ATOM 825 CB ILE A 55 11.969 -3.879 -19.740 1.00 0.00 C ATOM 826 CG1 ILE A 55 10.561 -3.631 -19.196 1.00 0.00 C ATOM 827 CG2 ILE A 55 12.999 -3.100 -18.936 1.00 0.00 C ATOM 828 CD1 ILE A 55 10.133 -2.182 -19.265 1.00 0.00 C ATOM 0 H ILE A 55 10.444 -4.815 -21.511 1.00 0.00 H new ATOM 0 HA ILE A 55 11.966 -2.405 -21.315 1.00 0.00 H new ATOM 0 HB ILE A 55 12.192 -4.942 -19.646 1.00 0.00 H new ATOM 0 HG12 ILE A 55 9.851 -4.238 -19.758 1.00 0.00 H new ATOM 0 HG13 ILE A 55 10.517 -3.966 -18.160 1.00 0.00 H new ATOM 0 HG21 ILE A 55 12.934 -3.387 -17.886 1.00 0.00 H new ATOM 0 HG22 ILE A 55 13.998 -3.323 -19.311 1.00 0.00 H new ATOM 0 HG23 ILE A 55 12.805 -2.032 -19.033 1.00 0.00 H new ATOM 0 HD11 ILE A 55 9.125 -2.081 -18.863 1.00 0.00 H new ATOM 0 HD12 ILE A 55 10.820 -1.571 -18.680 1.00 0.00 H new ATOM 0 HD13 ILE A 55 10.145 -1.848 -20.303 1.00 0.00 H new ATOM 840 N GLY A 56 13.437 -5.197 -22.240 1.00 0.00 N ATOM 841 CA GLY A 56 14.663 -5.734 -22.802 1.00 0.00 C ATOM 842 C GLY A 56 15.240 -4.847 -23.887 1.00 0.00 C ATOM 843 O GLY A 56 16.446 -4.859 -24.131 1.00 0.00 O ATOM 0 H GLY A 56 12.653 -5.849 -22.221 1.00 0.00 H new ATOM 0 HA2 GLY A 56 15.399 -5.858 -22.008 1.00 0.00 H new ATOM 0 HA3 GLY A 56 14.468 -6.725 -23.212 1.00 0.00 H new ATOM 847 N ASN A 57 14.377 -4.078 -24.542 1.00 0.00 N ATOM 848 CA ASN A 57 14.808 -3.182 -25.609 1.00 0.00 C ATOM 849 C ASN A 57 15.930 -2.266 -25.130 1.00 0.00 C ATOM 850 O ASN A 57 16.765 -1.824 -25.920 1.00 0.00 O ATOM 851 CB ASN A 57 13.629 -2.345 -26.108 1.00 0.00 C ATOM 852 CG ASN A 57 13.086 -2.843 -27.434 1.00 0.00 C ATOM 853 OD1 ASN A 57 13.759 -3.580 -28.155 1.00 0.00 O ATOM 854 ND2 ASN A 57 11.863 -2.442 -27.761 1.00 0.00 N ATOM 0 H ASN A 57 13.375 -4.057 -24.353 1.00 0.00 H new ATOM 0 HA ASN A 57 15.186 -3.791 -26.430 1.00 0.00 H new ATOM 0 HB2 ASN A 57 12.833 -2.363 -25.363 1.00 0.00 H new ATOM 0 HB3 ASN A 57 13.943 -1.307 -26.214 1.00 0.00 H new ATOM 0 HD21 ASN A 57 11.445 -2.745 -28.641 1.00 0.00 H new ATOM 0 HD22 ASN A 57 11.342 -1.831 -27.132 1.00 0.00 H new ATOM 861 N LEU A 58 15.943 -1.985 -23.832 1.00 0.00 N ATOM 862 CA LEU A 58 16.963 -1.121 -23.247 1.00 0.00 C ATOM 863 C LEU A 58 17.866 -1.908 -22.303 1.00 0.00 C ATOM 864 O LEU A 58 17.766 -1.806 -21.080 1.00 0.00 O ATOM 865 CB LEU A 58 16.307 0.039 -22.495 1.00 0.00 C ATOM 866 CG LEU A 58 15.321 0.887 -23.299 1.00 0.00 C ATOM 867 CD1 LEU A 58 15.837 1.110 -24.712 1.00 0.00 C ATOM 868 CD2 LEU A 58 13.950 0.228 -23.328 1.00 0.00 C ATOM 0 H LEU A 58 15.259 -2.342 -23.165 1.00 0.00 H new ATOM 0 HA LEU A 58 17.574 -0.722 -24.056 1.00 0.00 H new ATOM 0 HB2 LEU A 58 15.785 -0.365 -21.628 1.00 0.00 H new ATOM 0 HB3 LEU A 58 17.094 0.692 -22.117 1.00 0.00 H new ATOM 0 HG LEU A 58 15.225 1.857 -22.812 1.00 0.00 H new ATOM 0 HD11 LEU A 58 15.122 1.715 -25.269 1.00 0.00 H new ATOM 0 HD12 LEU A 58 16.796 1.626 -24.672 1.00 0.00 H new ATOM 0 HD13 LEU A 58 15.963 0.148 -25.209 1.00 0.00 H new ATOM 0 HD21 LEU A 58 13.261 0.846 -23.905 1.00 0.00 H new ATOM 0 HD22 LEU A 58 14.029 -0.756 -23.790 1.00 0.00 H new ATOM 0 HD23 LEU A 58 13.576 0.121 -22.310 1.00 0.00 H new ATOM 880 N PRO A 59 18.771 -2.711 -22.881 1.00 0.00 N ATOM 881 CA PRO A 59 19.712 -3.529 -22.110 1.00 0.00 C ATOM 882 C PRO A 59 20.767 -2.687 -21.402 1.00 0.00 C ATOM 883 O PRO A 59 20.664 -2.424 -20.205 1.00 0.00 O ATOM 884 CB PRO A 59 20.362 -4.419 -23.172 1.00 0.00 C ATOM 885 CG PRO A 59 20.235 -3.649 -24.441 1.00 0.00 C ATOM 886 CD PRO A 59 18.946 -2.883 -24.333 1.00 0.00 C ATOM 0 HA PRO A 59 19.213 -4.085 -21.316 1.00 0.00 H new ATOM 0 HB2 PRO A 59 21.406 -4.621 -22.934 1.00 0.00 H new ATOM 0 HB3 PRO A 59 19.859 -5.383 -23.242 1.00 0.00 H new ATOM 0 HG2 PRO A 59 21.080 -2.974 -24.574 1.00 0.00 H new ATOM 0 HG3 PRO A 59 20.221 -4.316 -25.303 1.00 0.00 H new ATOM 0 HD2 PRO A 59 19.005 -1.924 -24.847 1.00 0.00 H new ATOM 0 HD3 PRO A 59 18.115 -3.431 -24.776 1.00 0.00 H new ATOM 894 N GLU A 60 21.782 -2.266 -22.151 1.00 0.00 N ATOM 895 CA GLU A 60 22.856 -1.453 -21.594 1.00 0.00 C ATOM 896 C GLU A 60 22.338 -0.081 -21.173 1.00 0.00 C ATOM 897 O GLU A 60 23.043 0.688 -20.519 1.00 0.00 O ATOM 898 CB GLU A 60 23.986 -1.293 -22.613 1.00 0.00 C ATOM 899 CG GLU A 60 23.514 -0.814 -23.975 1.00 0.00 C ATOM 900 CD GLU A 60 24.662 -0.471 -24.904 1.00 0.00 C ATOM 901 OE1 GLU A 60 25.820 -0.788 -24.557 1.00 0.00 O ATOM 902 OE2 GLU A 60 24.405 0.115 -25.976 1.00 0.00 O ATOM 0 H GLU A 60 21.882 -2.475 -23.144 1.00 0.00 H new ATOM 0 HA GLU A 60 23.242 -1.963 -20.711 1.00 0.00 H new ATOM 0 HB2 GLU A 60 24.719 -0.587 -22.223 1.00 0.00 H new ATOM 0 HB3 GLU A 60 24.496 -2.249 -22.730 1.00 0.00 H new ATOM 0 HG2 GLU A 60 22.899 -1.587 -24.435 1.00 0.00 H new ATOM 0 HG3 GLU A 60 22.880 0.064 -23.848 1.00 0.00 H new ATOM 909 N VAL A 61 21.100 0.220 -21.553 1.00 0.00 N ATOM 910 CA VAL A 61 20.486 1.499 -21.215 1.00 0.00 C ATOM 911 C VAL A 61 19.682 1.398 -19.924 1.00 0.00 C ATOM 912 O VAL A 61 19.929 2.133 -18.967 1.00 0.00 O ATOM 913 CB VAL A 61 19.564 1.994 -22.345 1.00 0.00 C ATOM 914 CG1 VAL A 61 18.679 3.129 -21.853 1.00 0.00 C ATOM 915 CG2 VAL A 61 20.384 2.430 -23.550 1.00 0.00 C ATOM 0 H VAL A 61 20.503 -0.404 -22.095 1.00 0.00 H new ATOM 0 HA VAL A 61 21.297 2.214 -21.079 1.00 0.00 H new ATOM 0 HB VAL A 61 18.920 1.170 -22.652 1.00 0.00 H new ATOM 0 HG11 VAL A 61 18.034 3.466 -22.665 1.00 0.00 H new ATOM 0 HG12 VAL A 61 18.065 2.778 -21.024 1.00 0.00 H new ATOM 0 HG13 VAL A 61 19.303 3.957 -21.517 1.00 0.00 H new ATOM 0 HG21 VAL A 61 19.716 2.777 -24.339 1.00 0.00 H new ATOM 0 HG22 VAL A 61 21.054 3.239 -23.260 1.00 0.00 H new ATOM 0 HG23 VAL A 61 20.970 1.587 -23.916 1.00 0.00 H new ATOM 925 N LEU A 62 18.718 0.484 -19.904 1.00 0.00 N ATOM 926 CA LEU A 62 17.876 0.285 -18.729 1.00 0.00 C ATOM 927 C LEU A 62 18.384 -0.879 -17.885 1.00 0.00 C ATOM 928 O LEU A 62 18.850 -0.688 -16.762 1.00 0.00 O ATOM 929 CB LEU A 62 16.429 0.030 -19.152 1.00 0.00 C ATOM 930 CG LEU A 62 15.364 0.270 -18.081 1.00 0.00 C ATOM 931 CD1 LEU A 62 15.436 1.700 -17.569 1.00 0.00 C ATOM 932 CD2 LEU A 62 13.978 -0.033 -18.630 1.00 0.00 C ATOM 0 H LEU A 62 18.500 -0.131 -20.688 1.00 0.00 H new ATOM 0 HA LEU A 62 17.917 1.192 -18.125 1.00 0.00 H new ATOM 0 HB2 LEU A 62 16.204 0.666 -20.008 1.00 0.00 H new ATOM 0 HB3 LEU A 62 16.348 -1.002 -19.492 1.00 0.00 H new ATOM 0 HG LEU A 62 15.557 -0.403 -17.246 1.00 0.00 H new ATOM 0 HD11 LEU A 62 14.671 1.853 -16.808 1.00 0.00 H new ATOM 0 HD12 LEU A 62 16.420 1.883 -17.137 1.00 0.00 H new ATOM 0 HD13 LEU A 62 15.269 2.391 -18.395 1.00 0.00 H new ATOM 0 HD21 LEU A 62 13.233 0.143 -17.854 1.00 0.00 H new ATOM 0 HD22 LEU A 62 13.775 0.615 -19.482 1.00 0.00 H new ATOM 0 HD23 LEU A 62 13.932 -1.075 -18.947 1.00 0.00 H new ATOM 944 N ARG A 63 18.293 -2.086 -18.435 1.00 0.00 N ATOM 945 CA ARG A 63 18.744 -3.281 -17.734 1.00 0.00 C ATOM 946 C ARG A 63 20.069 -3.026 -17.020 1.00 0.00 C ATOM 947 O ARG A 63 20.320 -3.566 -15.943 1.00 0.00 O ATOM 948 CB ARG A 63 18.897 -4.446 -18.713 1.00 0.00 C ATOM 949 CG ARG A 63 17.622 -4.774 -19.474 1.00 0.00 C ATOM 950 CD ARG A 63 16.487 -5.134 -18.528 1.00 0.00 C ATOM 951 NE ARG A 63 15.983 -6.484 -18.766 1.00 0.00 N ATOM 952 CZ ARG A 63 16.544 -7.577 -18.260 1.00 0.00 C ATOM 953 NH1 ARG A 63 17.620 -7.479 -17.492 1.00 0.00 N ATOM 954 NH2 ARG A 63 16.027 -8.771 -18.522 1.00 0.00 N ATOM 0 H ARG A 63 17.911 -2.261 -19.364 1.00 0.00 H new ATOM 0 HA ARG A 63 17.992 -3.538 -16.988 1.00 0.00 H new ATOM 0 HB2 ARG A 63 19.685 -4.208 -19.427 1.00 0.00 H new ATOM 0 HB3 ARG A 63 19.220 -5.331 -18.164 1.00 0.00 H new ATOM 0 HG2 ARG A 63 17.331 -3.919 -20.085 1.00 0.00 H new ATOM 0 HG3 ARG A 63 17.807 -5.604 -20.155 1.00 0.00 H new ATOM 0 HD2 ARG A 63 16.834 -5.053 -17.498 1.00 0.00 H new ATOM 0 HD3 ARG A 63 15.674 -4.417 -18.648 1.00 0.00 H new ATOM 0 HE ARG A 63 15.156 -6.594 -19.352 1.00 0.00 H new ATOM 0 HH11 ARG A 63 18.019 -6.563 -17.288 1.00 0.00 H new ATOM 0 HH12 ARG A 63 18.049 -8.320 -17.105 1.00 0.00 H new ATOM 0 HH21 ARG A 63 15.199 -8.850 -19.112 1.00 0.00 H new ATOM 0 HH22 ARG A 63 16.458 -9.610 -18.133 1.00 0.00 H new ATOM 968 N LYS A 64 20.913 -2.200 -17.629 1.00 0.00 N ATOM 969 CA LYS A 64 22.212 -1.871 -17.053 1.00 0.00 C ATOM 970 C LYS A 64 22.057 -0.923 -15.869 1.00 0.00 C ATOM 971 O LYS A 64 22.596 -1.169 -14.791 1.00 0.00 O ATOM 972 CB LYS A 64 23.117 -1.238 -18.113 1.00 0.00 C ATOM 973 CG LYS A 64 24.329 -0.530 -17.533 1.00 0.00 C ATOM 974 CD LYS A 64 25.343 -0.187 -18.611 1.00 0.00 C ATOM 975 CE LYS A 64 25.620 1.308 -18.660 1.00 0.00 C ATOM 976 NZ LYS A 64 26.544 1.736 -17.573 1.00 0.00 N ATOM 0 H LYS A 64 20.721 -1.746 -18.522 1.00 0.00 H new ATOM 0 HA LYS A 64 22.669 -2.795 -16.698 1.00 0.00 H new ATOM 0 HB2 LYS A 64 23.454 -2.013 -18.801 1.00 0.00 H new ATOM 0 HB3 LYS A 64 22.535 -0.525 -18.697 1.00 0.00 H new ATOM 0 HG2 LYS A 64 24.011 0.382 -17.028 1.00 0.00 H new ATOM 0 HG3 LYS A 64 24.797 -1.165 -16.781 1.00 0.00 H new ATOM 0 HD2 LYS A 64 26.272 -0.724 -18.422 1.00 0.00 H new ATOM 0 HD3 LYS A 64 24.973 -0.522 -19.580 1.00 0.00 H new ATOM 0 HE2 LYS A 64 26.052 1.566 -19.627 1.00 0.00 H new ATOM 0 HE3 LYS A 64 24.681 1.855 -18.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 26.708 2.761 -17.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 26.121 1.513 -16.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 27.449 1.233 -17.669 1.00 0.00 H new ATOM 990 N ASN A 65 21.317 0.161 -16.077 1.00 0.00 N ATOM 991 CA ASN A 65 21.091 1.146 -15.025 1.00 0.00 C ATOM 992 C ASN A 65 20.407 0.508 -13.820 1.00 0.00 C ATOM 993 O ASN A 65 20.785 0.754 -12.674 1.00 0.00 O ATOM 994 CB ASN A 65 20.241 2.303 -15.555 1.00 0.00 C ATOM 995 CG ASN A 65 21.082 3.395 -16.188 1.00 0.00 C ATOM 996 OD1 ASN A 65 21.036 4.551 -15.768 1.00 0.00 O ATOM 997 ND2 ASN A 65 21.855 3.032 -17.205 1.00 0.00 N ATOM 0 H ASN A 65 20.864 0.380 -16.964 1.00 0.00 H new ATOM 0 HA ASN A 65 22.060 1.531 -14.708 1.00 0.00 H new ATOM 0 HB2 ASN A 65 19.532 1.922 -16.290 1.00 0.00 H new ATOM 0 HB3 ASN A 65 19.657 2.726 -14.737 1.00 0.00 H new ATOM 0 HD21 ASN A 65 22.442 3.723 -17.671 1.00 0.00 H new ATOM 0 HD22 ASN A 65 21.861 2.062 -17.520 1.00 0.00 H new ATOM 1004 N LEU A 66 19.397 -0.314 -14.087 1.00 0.00 N ATOM 1005 CA LEU A 66 18.659 -0.989 -13.025 1.00 0.00 C ATOM 1006 C LEU A 66 19.471 -2.144 -12.448 1.00 0.00 C ATOM 1007 O LEU A 66 19.299 -2.518 -11.288 1.00 0.00 O ATOM 1008 CB LEU A 66 17.321 -1.506 -13.556 1.00 0.00 C ATOM 1009 CG LEU A 66 17.400 -2.548 -14.672 1.00 0.00 C ATOM 1010 CD1 LEU A 66 17.572 -3.942 -14.090 1.00 0.00 C ATOM 1011 CD2 LEU A 66 16.157 -2.484 -15.549 1.00 0.00 C ATOM 0 H LEU A 66 19.071 -0.529 -15.029 1.00 0.00 H new ATOM 0 HA LEU A 66 18.472 -0.267 -12.230 1.00 0.00 H new ATOM 0 HB2 LEU A 66 16.764 -1.936 -12.723 1.00 0.00 H new ATOM 0 HB3 LEU A 66 16.744 -0.656 -13.920 1.00 0.00 H new ATOM 0 HG LEU A 66 18.270 -2.325 -15.290 1.00 0.00 H new ATOM 0 HD11 LEU A 66 17.626 -4.670 -14.899 1.00 0.00 H new ATOM 0 HD12 LEU A 66 18.491 -3.981 -13.505 1.00 0.00 H new ATOM 0 HD13 LEU A 66 16.723 -4.176 -13.448 1.00 0.00 H new ATOM 0 HD21 LEU A 66 16.230 -3.232 -16.338 1.00 0.00 H new ATOM 0 HD22 LEU A 66 15.273 -2.681 -14.942 1.00 0.00 H new ATOM 0 HD23 LEU A 66 16.077 -1.493 -15.995 1.00 0.00 H new ATOM 1023 N ASN A 67 20.358 -2.704 -13.264 1.00 0.00 N ATOM 1024 CA ASN A 67 21.198 -3.816 -12.834 1.00 0.00 C ATOM 1025 C ASN A 67 21.829 -3.527 -11.475 1.00 0.00 C ATOM 1026 O ASN A 67 22.024 -4.433 -10.666 1.00 0.00 O ATOM 1027 CB ASN A 67 22.291 -4.086 -13.870 1.00 0.00 C ATOM 1028 CG ASN A 67 22.219 -5.493 -14.432 1.00 0.00 C ATOM 1029 OD1 ASN A 67 22.223 -6.472 -13.687 1.00 0.00 O ATOM 1030 ND2 ASN A 67 22.154 -5.598 -15.754 1.00 0.00 N ATOM 0 H ASN A 67 20.514 -2.406 -14.227 1.00 0.00 H new ATOM 0 HA ASN A 67 20.568 -4.701 -12.741 1.00 0.00 H new ATOM 0 HB2 ASN A 67 22.202 -3.367 -14.684 1.00 0.00 H new ATOM 0 HB3 ASN A 67 23.268 -3.930 -13.413 1.00 0.00 H new ATOM 0 HD21 ASN A 67 22.105 -6.518 -16.191 1.00 0.00 H new ATOM 0 HD22 ASN A 67 22.153 -4.758 -16.333 1.00 0.00 H new ATOM 1037 N GLU A 68 22.144 -2.258 -11.233 1.00 0.00 N ATOM 1038 CA GLU A 68 22.753 -1.851 -9.972 1.00 0.00 C ATOM 1039 C GLU A 68 21.772 -1.038 -9.132 1.00 0.00 C ATOM 1040 O GLU A 68 21.894 -0.968 -7.909 1.00 0.00 O ATOM 1041 CB GLU A 68 24.018 -1.031 -10.233 1.00 0.00 C ATOM 1042 CG GLU A 68 23.795 0.158 -11.152 1.00 0.00 C ATOM 1043 CD GLU A 68 24.735 1.310 -10.854 1.00 0.00 C ATOM 1044 OE1 GLU A 68 25.963 1.086 -10.836 1.00 0.00 O ATOM 1045 OE2 GLU A 68 24.241 2.437 -10.639 1.00 0.00 O ATOM 0 H GLU A 68 21.988 -1.496 -11.892 1.00 0.00 H new ATOM 0 HA GLU A 68 23.019 -2.752 -9.419 1.00 0.00 H new ATOM 0 HB2 GLU A 68 24.412 -0.675 -9.281 1.00 0.00 H new ATOM 0 HB3 GLU A 68 24.777 -1.680 -10.670 1.00 0.00 H new ATOM 0 HG2 GLU A 68 23.929 -0.157 -12.187 1.00 0.00 H new ATOM 0 HG3 GLU A 68 22.765 0.500 -11.054 1.00 0.00 H new ATOM 1052 N SER A 69 20.798 -0.424 -9.798 1.00 0.00 N ATOM 1053 CA SER A 69 19.798 0.387 -9.114 1.00 0.00 C ATOM 1054 C SER A 69 18.549 -0.434 -8.808 1.00 0.00 C ATOM 1055 O SER A 69 17.471 0.116 -8.581 1.00 0.00 O ATOM 1056 CB SER A 69 19.427 1.602 -9.967 1.00 0.00 C ATOM 1057 OG SER A 69 18.982 2.677 -9.157 1.00 0.00 O ATOM 0 H SER A 69 20.681 -0.473 -10.810 1.00 0.00 H new ATOM 0 HA SER A 69 20.226 0.730 -8.172 1.00 0.00 H new ATOM 0 HB2 SER A 69 20.291 1.917 -10.552 1.00 0.00 H new ATOM 0 HB3 SER A 69 18.645 1.328 -10.675 1.00 0.00 H new ATOM 0 HG SER A 69 18.297 2.356 -8.534 1.00 0.00 H new ATOM 1063 N VAL A 70 18.703 -1.754 -8.803 1.00 0.00 N ATOM 1064 CA VAL A 70 17.589 -2.652 -8.523 1.00 0.00 C ATOM 1065 C VAL A 70 17.283 -2.700 -7.031 1.00 0.00 C ATOM 1066 O VAL A 70 17.320 -3.764 -6.414 1.00 0.00 O ATOM 1067 CB VAL A 70 17.881 -4.080 -9.022 1.00 0.00 C ATOM 1068 CG1 VAL A 70 19.111 -4.647 -8.330 1.00 0.00 C ATOM 1069 CG2 VAL A 70 16.673 -4.978 -8.802 1.00 0.00 C ATOM 0 H VAL A 70 19.588 -2.225 -8.990 1.00 0.00 H new ATOM 0 HA VAL A 70 16.723 -2.258 -9.056 1.00 0.00 H new ATOM 0 HB VAL A 70 18.084 -4.038 -10.092 1.00 0.00 H new ATOM 0 HG11 VAL A 70 19.301 -5.656 -8.695 1.00 0.00 H new ATOM 0 HG12 VAL A 70 19.973 -4.015 -8.544 1.00 0.00 H new ATOM 0 HG13 VAL A 70 18.942 -4.677 -7.254 1.00 0.00 H new ATOM 0 HG21 VAL A 70 16.897 -5.983 -9.160 1.00 0.00 H new ATOM 0 HG22 VAL A 70 16.437 -5.016 -7.739 1.00 0.00 H new ATOM 0 HG23 VAL A 70 15.819 -4.579 -9.349 1.00 0.00 H new ATOM 1079 N GLN A 71 16.979 -1.540 -6.457 1.00 0.00 N ATOM 1080 CA GLN A 71 16.666 -1.451 -5.036 1.00 0.00 C ATOM 1081 C GLN A 71 15.301 -2.063 -4.740 1.00 0.00 C ATOM 1082 O GLN A 71 15.177 -3.029 -3.987 1.00 0.00 O ATOM 1083 CB GLN A 71 16.694 0.008 -4.577 1.00 0.00 C ATOM 1084 CG GLN A 71 17.783 0.306 -3.560 1.00 0.00 C ATOM 1085 CD GLN A 71 19.169 -0.035 -4.073 1.00 0.00 C ATOM 1086 OE1 GLN A 71 19.804 -0.978 -3.600 1.00 0.00 O ATOM 1087 NE2 GLN A 71 19.646 0.733 -5.045 1.00 0.00 N ATOM 0 H GLN A 71 16.943 -0.650 -6.954 1.00 0.00 H new ATOM 0 HA GLN A 71 17.422 -2.012 -4.487 1.00 0.00 H new ATOM 0 HB2 GLN A 71 16.835 0.651 -5.446 1.00 0.00 H new ATOM 0 HB3 GLN A 71 15.726 0.263 -4.145 1.00 0.00 H new ATOM 0 HG2 GLN A 71 17.748 1.363 -3.294 1.00 0.00 H new ATOM 0 HG3 GLN A 71 17.588 -0.259 -2.648 1.00 0.00 H new ATOM 0 HE21 GLN A 71 19.085 1.504 -5.407 1.00 0.00 H new ATOM 0 HE22 GLN A 71 20.573 0.552 -5.430 1.00 0.00 H new ATOM 1096 N PRO A 72 14.250 -1.489 -5.344 1.00 0.00 N ATOM 1097 CA PRO A 72 12.875 -1.962 -5.160 1.00 0.00 C ATOM 1098 C PRO A 72 12.636 -3.318 -5.816 1.00 0.00 C ATOM 1099 O PRO A 72 13.581 -4.016 -6.187 1.00 0.00 O ATOM 1100 CB PRO A 72 12.033 -0.882 -5.844 1.00 0.00 C ATOM 1101 CG PRO A 72 12.945 -0.273 -6.853 1.00 0.00 C ATOM 1102 CD PRO A 72 14.324 -0.334 -6.254 1.00 0.00 C ATOM 0 HA PRO A 72 12.632 -2.108 -4.108 1.00 0.00 H new ATOM 0 HB2 PRO A 72 11.149 -1.310 -6.317 1.00 0.00 H new ATOM 0 HB3 PRO A 72 11.683 -0.139 -5.127 1.00 0.00 H new ATOM 0 HG2 PRO A 72 12.904 -0.819 -7.796 1.00 0.00 H new ATOM 0 HG3 PRO A 72 12.658 0.756 -7.068 1.00 0.00 H new ATOM 0 HD2 PRO A 72 15.088 -0.473 -7.019 1.00 0.00 H new ATOM 0 HD3 PRO A 72 14.571 0.583 -5.720 1.00 0.00 H new ATOM 1110 N THR A 73 11.367 -3.687 -5.957 1.00 0.00 N ATOM 1111 CA THR A 73 11.004 -4.959 -6.567 1.00 0.00 C ATOM 1112 C THR A 73 10.557 -4.769 -8.012 1.00 0.00 C ATOM 1113 O THR A 73 9.381 -4.523 -8.282 1.00 0.00 O ATOM 1114 CB THR A 73 9.878 -5.658 -5.782 1.00 0.00 C ATOM 1115 OG1 THR A 73 9.956 -5.307 -4.396 1.00 0.00 O ATOM 1116 CG2 THR A 73 9.969 -7.169 -5.934 1.00 0.00 C ATOM 0 H THR A 73 10.573 -3.122 -5.656 1.00 0.00 H new ATOM 0 HA THR A 73 11.896 -5.585 -6.545 1.00 0.00 H new ATOM 0 HB THR A 73 8.922 -5.325 -6.187 1.00 0.00 H new ATOM 0 HG1 THR A 73 9.236 -5.754 -3.904 1.00 0.00 H new ATOM 0 HG21 THR A 73 9.164 -7.640 -5.371 1.00 0.00 H new ATOM 0 HG22 THR A 73 9.879 -7.435 -6.987 1.00 0.00 H new ATOM 0 HG23 THR A 73 10.930 -7.516 -5.553 1.00 0.00 H new ATOM 1124 N VAL A 74 11.503 -4.884 -8.939 1.00 0.00 N ATOM 1125 CA VAL A 74 11.206 -4.726 -10.358 1.00 0.00 C ATOM 1126 C VAL A 74 10.982 -6.077 -11.027 1.00 0.00 C ATOM 1127 O VAL A 74 11.879 -6.618 -11.674 1.00 0.00 O ATOM 1128 CB VAL A 74 12.342 -3.986 -11.090 1.00 0.00 C ATOM 1129 CG1 VAL A 74 11.912 -3.608 -12.499 1.00 0.00 C ATOM 1130 CG2 VAL A 74 12.766 -2.754 -10.305 1.00 0.00 C ATOM 0 H VAL A 74 12.481 -5.086 -8.733 1.00 0.00 H new ATOM 0 HA VAL A 74 10.293 -4.134 -10.426 1.00 0.00 H new ATOM 0 HB VAL A 74 13.199 -4.655 -11.165 1.00 0.00 H new ATOM 0 HG11 VAL A 74 12.727 -3.086 -13.001 1.00 0.00 H new ATOM 0 HG12 VAL A 74 11.661 -4.510 -13.057 1.00 0.00 H new ATOM 0 HG13 VAL A 74 11.040 -2.956 -12.451 1.00 0.00 H new ATOM 0 HG21 VAL A 74 13.569 -2.243 -10.836 1.00 0.00 H new ATOM 0 HG22 VAL A 74 11.916 -2.080 -10.198 1.00 0.00 H new ATOM 0 HG23 VAL A 74 13.117 -3.055 -9.318 1.00 0.00 H new ATOM 1140 N VAL A 75 9.779 -6.619 -10.866 1.00 0.00 N ATOM 1141 CA VAL A 75 9.435 -7.907 -11.455 1.00 0.00 C ATOM 1142 C VAL A 75 9.446 -7.835 -12.978 1.00 0.00 C ATOM 1143 O VAL A 75 8.421 -7.564 -13.604 1.00 0.00 O ATOM 1144 CB VAL A 75 8.050 -8.388 -10.984 1.00 0.00 C ATOM 1145 CG1 VAL A 75 7.746 -9.770 -11.543 1.00 0.00 C ATOM 1146 CG2 VAL A 75 7.975 -8.390 -9.465 1.00 0.00 C ATOM 0 H VAL A 75 9.026 -6.185 -10.332 1.00 0.00 H new ATOM 0 HA VAL A 75 10.190 -8.619 -11.122 1.00 0.00 H new ATOM 0 HB VAL A 75 7.297 -7.696 -11.361 1.00 0.00 H new ATOM 0 HG11 VAL A 75 6.763 -10.093 -11.200 1.00 0.00 H new ATOM 0 HG12 VAL A 75 7.755 -9.732 -12.632 1.00 0.00 H new ATOM 0 HG13 VAL A 75 8.501 -10.476 -11.198 1.00 0.00 H new ATOM 0 HG21 VAL A 75 6.989 -8.733 -9.150 1.00 0.00 H new ATOM 0 HG22 VAL A 75 8.737 -9.058 -9.064 1.00 0.00 H new ATOM 0 HG23 VAL A 75 8.145 -7.380 -9.091 1.00 0.00 H new ATOM 1156 N ALA A 76 10.610 -8.081 -13.568 1.00 0.00 N ATOM 1157 CA ALA A 76 10.754 -8.047 -15.019 1.00 0.00 C ATOM 1158 C ALA A 76 10.511 -9.424 -15.627 1.00 0.00 C ATOM 1159 O ALA A 76 11.393 -10.284 -15.615 1.00 0.00 O ATOM 1160 CB ALA A 76 12.135 -7.536 -15.400 1.00 0.00 C ATOM 0 H ALA A 76 11.468 -8.306 -13.064 1.00 0.00 H new ATOM 0 HA ALA A 76 10.003 -7.365 -15.418 1.00 0.00 H new ATOM 0 HB1 ALA A 76 12.229 -7.516 -16.486 1.00 0.00 H new ATOM 0 HB2 ALA A 76 12.272 -6.529 -15.005 1.00 0.00 H new ATOM 0 HB3 ALA A 76 12.895 -8.196 -14.982 1.00 0.00 H new ATOM 1166 N LEU A 77 9.311 -9.628 -16.158 1.00 0.00 N ATOM 1167 CA LEU A 77 8.951 -10.902 -16.771 1.00 0.00 C ATOM 1168 C LEU A 77 9.985 -11.315 -17.814 1.00 0.00 C ATOM 1169 O LEU A 77 10.453 -10.492 -18.598 1.00 0.00 O ATOM 1170 CB LEU A 77 7.568 -10.807 -17.417 1.00 0.00 C ATOM 1171 CG LEU A 77 7.040 -12.088 -18.064 1.00 0.00 C ATOM 1172 CD1 LEU A 77 6.133 -12.838 -17.101 1.00 0.00 C ATOM 1173 CD2 LEU A 77 6.302 -11.768 -19.356 1.00 0.00 C ATOM 0 H LEU A 77 8.570 -8.927 -16.177 1.00 0.00 H new ATOM 0 HA LEU A 77 8.928 -11.660 -15.988 1.00 0.00 H new ATOM 0 HB2 LEU A 77 6.855 -10.487 -16.657 1.00 0.00 H new ATOM 0 HB3 LEU A 77 7.597 -10.025 -18.176 1.00 0.00 H new ATOM 0 HG LEU A 77 7.889 -12.728 -18.303 1.00 0.00 H new ATOM 0 HD11 LEU A 77 5.767 -13.747 -17.579 1.00 0.00 H new ATOM 0 HD12 LEU A 77 6.693 -13.100 -16.203 1.00 0.00 H new ATOM 0 HD13 LEU A 77 5.288 -12.205 -16.829 1.00 0.00 H new ATOM 0 HD21 LEU A 77 5.933 -12.691 -19.803 1.00 0.00 H new ATOM 0 HD22 LEU A 77 5.462 -11.108 -19.141 1.00 0.00 H new ATOM 0 HD23 LEU A 77 6.982 -11.275 -20.051 1.00 0.00 H new ATOM 1185 N GLY A 78 10.334 -12.598 -17.817 1.00 0.00 N ATOM 1186 CA GLY A 78 11.308 -13.099 -18.769 1.00 0.00 C ATOM 1187 C GLY A 78 10.984 -12.700 -20.195 1.00 0.00 C ATOM 1188 O GLY A 78 9.826 -12.740 -20.610 1.00 0.00 O ATOM 0 H GLY A 78 9.960 -13.299 -17.177 1.00 0.00 H new ATOM 0 HA2 GLY A 78 12.296 -12.722 -18.505 1.00 0.00 H new ATOM 0 HA3 GLY A 78 11.353 -14.186 -18.700 1.00 0.00 H new ATOM 1192 N GLY A 79 12.009 -12.311 -20.947 1.00 0.00 N ATOM 1193 CA GLY A 79 11.806 -11.907 -22.326 1.00 0.00 C ATOM 1194 C GLY A 79 12.698 -12.663 -23.290 1.00 0.00 C ATOM 1195 O GLY A 79 12.232 -13.176 -24.307 1.00 0.00 O ATOM 0 H GLY A 79 12.976 -12.268 -20.626 1.00 0.00 H new ATOM 0 HA2 GLY A 79 10.763 -12.068 -22.599 1.00 0.00 H new ATOM 0 HA3 GLY A 79 11.998 -10.838 -22.420 1.00 0.00 H new ATOM 1199 N SER A 80 13.987 -12.732 -22.971 1.00 0.00 N ATOM 1200 CA SER A 80 14.948 -13.427 -23.819 1.00 0.00 C ATOM 1201 C SER A 80 15.972 -14.181 -22.975 1.00 0.00 C ATOM 1202 O SER A 80 16.154 -15.387 -23.132 1.00 0.00 O ATOM 1203 CB SER A 80 15.661 -12.433 -24.738 1.00 0.00 C ATOM 1204 OG SER A 80 16.991 -12.845 -25.001 1.00 0.00 O ATOM 0 H SER A 80 14.389 -12.315 -22.132 1.00 0.00 H new ATOM 0 HA SER A 80 14.403 -14.148 -24.428 1.00 0.00 H new ATOM 0 HB2 SER A 80 15.113 -12.342 -25.676 1.00 0.00 H new ATOM 0 HB3 SER A 80 15.667 -11.446 -24.276 1.00 0.00 H new ATOM 0 HG SER A 80 17.424 -12.194 -25.592 1.00 0.00 H new ATOM 1210 N GLY A 81 16.638 -13.459 -22.079 1.00 0.00 N ATOM 1211 CA GLY A 81 17.635 -14.075 -21.223 1.00 0.00 C ATOM 1212 C GLY A 81 19.037 -13.580 -21.518 1.00 0.00 C ATOM 1213 O GLY A 81 20.020 -14.232 -21.164 1.00 0.00 O ATOM 0 H GLY A 81 16.505 -12.459 -21.931 1.00 0.00 H new ATOM 0 HA2 GLY A 81 17.392 -13.869 -20.181 1.00 0.00 H new ATOM 0 HA3 GLY A 81 17.601 -15.157 -21.350 1.00 0.00 H new ATOM 1217 N SER A 82 19.131 -12.425 -22.169 1.00 0.00 N ATOM 1218 CA SER A 82 20.424 -11.846 -22.516 1.00 0.00 C ATOM 1219 C SER A 82 21.229 -12.802 -23.391 1.00 0.00 C ATOM 1220 O SER A 82 21.914 -13.692 -22.890 1.00 0.00 O ATOM 1221 CB SER A 82 21.212 -11.509 -21.249 1.00 0.00 C ATOM 1222 OG SER A 82 21.297 -10.107 -21.060 1.00 0.00 O ATOM 0 H SER A 82 18.328 -11.872 -22.467 1.00 0.00 H new ATOM 0 HA SER A 82 20.246 -10.929 -23.078 1.00 0.00 H new ATOM 0 HB2 SER A 82 20.731 -11.967 -20.385 1.00 0.00 H new ATOM 0 HB3 SER A 82 22.214 -11.932 -21.317 1.00 0.00 H new ATOM 0 HG SER A 82 21.804 -9.917 -20.243 1.00 0.00 H new ATOM 1228 N GLY A 83 21.142 -12.609 -24.704 1.00 0.00 N ATOM 1229 CA GLY A 83 21.867 -13.461 -25.629 1.00 0.00 C ATOM 1230 C GLY A 83 23.282 -13.745 -25.167 1.00 0.00 C ATOM 1231 O GLY A 83 23.552 -14.793 -24.580 1.00 0.00 O ATOM 0 H GLY A 83 20.583 -11.878 -25.143 1.00 0.00 H new ATOM 0 HA2 GLY A 83 21.331 -14.403 -25.747 1.00 0.00 H new ATOM 0 HA3 GLY A 83 21.897 -12.985 -26.609 1.00 0.00 H new ATOM 1235 N SER A 84 24.189 -12.810 -25.434 1.00 0.00 N ATOM 1236 CA SER A 84 25.586 -12.968 -25.046 1.00 0.00 C ATOM 1237 C SER A 84 26.091 -11.726 -24.318 1.00 0.00 C ATOM 1238 O SER A 84 25.313 -10.840 -23.963 1.00 0.00 O ATOM 1239 CB SER A 84 26.451 -13.239 -26.278 1.00 0.00 C ATOM 1240 OG SER A 84 25.652 -13.401 -27.437 1.00 0.00 O ATOM 0 H SER A 84 23.981 -11.936 -25.917 1.00 0.00 H new ATOM 0 HA SER A 84 25.656 -13.818 -24.368 1.00 0.00 H new ATOM 0 HB2 SER A 84 27.148 -12.414 -26.425 1.00 0.00 H new ATOM 0 HB3 SER A 84 27.049 -14.136 -26.116 1.00 0.00 H new ATOM 0 HG SER A 84 26.229 -13.571 -28.211 1.00 0.00 H new ATOM 1246 N THR A 85 27.401 -11.668 -24.099 1.00 0.00 N ATOM 1247 CA THR A 85 28.012 -10.537 -23.413 1.00 0.00 C ATOM 1248 C THR A 85 29.214 -10.008 -24.187 1.00 0.00 C ATOM 1249 O THR A 85 29.147 -8.947 -24.808 1.00 0.00 O ATOM 1250 CB THR A 85 28.460 -10.918 -21.989 1.00 0.00 C ATOM 1251 OG1 THR A 85 29.221 -12.131 -22.023 1.00 0.00 O ATOM 1252 CG2 THR A 85 27.259 -11.093 -21.072 1.00 0.00 C ATOM 0 H THR A 85 28.059 -12.392 -24.387 1.00 0.00 H new ATOM 0 HA THR A 85 27.252 -9.758 -23.351 1.00 0.00 H new ATOM 0 HB THR A 85 29.080 -10.111 -21.599 1.00 0.00 H new ATOM 0 HG1 THR A 85 29.504 -12.366 -21.114 1.00 0.00 H new ATOM 0 HG21 THR A 85 27.601 -11.362 -20.072 1.00 0.00 H new ATOM 0 HG22 THR A 85 26.698 -10.160 -21.025 1.00 0.00 H new ATOM 0 HG23 THR A 85 26.617 -11.883 -21.461 1.00 0.00 H new ATOM 1260 N SER A 86 30.313 -10.754 -24.146 1.00 0.00 N ATOM 1261 CA SER A 86 31.532 -10.358 -24.842 1.00 0.00 C ATOM 1262 C SER A 86 32.619 -11.416 -24.678 1.00 0.00 C ATOM 1263 O SER A 86 32.375 -12.496 -24.139 1.00 0.00 O ATOM 1264 CB SER A 86 32.031 -9.012 -24.315 1.00 0.00 C ATOM 1265 OG SER A 86 33.033 -9.190 -23.329 1.00 0.00 O ATOM 0 H SER A 86 30.385 -11.636 -23.638 1.00 0.00 H new ATOM 0 HA SER A 86 31.300 -10.261 -25.903 1.00 0.00 H new ATOM 0 HB2 SER A 86 32.429 -8.420 -25.139 1.00 0.00 H new ATOM 0 HB3 SER A 86 31.197 -8.451 -23.893 1.00 0.00 H new ATOM 0 HG SER A 86 33.337 -8.315 -23.009 1.00 0.00 H new ATOM 1271 N LEU A 87 33.821 -11.098 -25.146 1.00 0.00 N ATOM 1272 CA LEU A 87 34.948 -12.020 -25.052 1.00 0.00 C ATOM 1273 C LEU A 87 36.267 -11.260 -24.962 1.00 0.00 C ATOM 1274 O LEU A 87 36.355 -10.100 -25.365 1.00 0.00 O ATOM 1275 CB LEU A 87 34.967 -12.957 -26.261 1.00 0.00 C ATOM 1276 CG LEU A 87 35.984 -14.098 -26.209 1.00 0.00 C ATOM 1277 CD1 LEU A 87 35.355 -15.395 -26.694 1.00 0.00 C ATOM 1278 CD2 LEU A 87 37.212 -13.756 -27.039 1.00 0.00 C ATOM 0 H LEU A 87 34.040 -10.209 -25.594 1.00 0.00 H new ATOM 0 HA LEU A 87 34.828 -12.611 -24.144 1.00 0.00 H new ATOM 0 HB2 LEU A 87 33.973 -13.388 -26.377 1.00 0.00 H new ATOM 0 HB3 LEU A 87 35.163 -12.363 -27.153 1.00 0.00 H new ATOM 0 HG LEU A 87 36.297 -14.234 -25.174 1.00 0.00 H new ATOM 0 HD11 LEU A 87 36.093 -16.196 -26.650 1.00 0.00 H new ATOM 0 HD12 LEU A 87 34.507 -15.648 -26.058 1.00 0.00 H new ATOM 0 HD13 LEU A 87 35.014 -15.272 -27.722 1.00 0.00 H new ATOM 0 HD21 LEU A 87 37.925 -14.579 -26.990 1.00 0.00 H new ATOM 0 HD22 LEU A 87 36.917 -13.592 -28.075 1.00 0.00 H new ATOM 0 HD23 LEU A 87 37.676 -12.851 -26.647 1.00 0.00 H new ATOM 1290 N ARG A 88 37.290 -11.922 -24.433 1.00 0.00 N ATOM 1291 CA ARG A 88 38.605 -11.309 -24.290 1.00 0.00 C ATOM 1292 C ARG A 88 39.703 -12.369 -24.299 1.00 0.00 C ATOM 1293 O ARG A 88 39.447 -13.538 -24.583 1.00 0.00 O ATOM 1294 CB ARG A 88 38.676 -10.497 -22.996 1.00 0.00 C ATOM 1295 CG ARG A 88 38.680 -11.353 -21.740 1.00 0.00 C ATOM 1296 CD ARG A 88 39.913 -11.090 -20.890 1.00 0.00 C ATOM 1297 NE ARG A 88 39.936 -9.727 -20.366 1.00 0.00 N ATOM 1298 CZ ARG A 88 40.656 -9.357 -19.312 1.00 0.00 C ATOM 1299 NH1 ARG A 88 41.407 -10.243 -18.674 1.00 0.00 N ATOM 1300 NH2 ARG A 88 40.624 -8.097 -18.896 1.00 0.00 N ATOM 0 H ARG A 88 37.234 -12.883 -24.096 1.00 0.00 H new ATOM 0 HA ARG A 88 38.761 -10.642 -25.138 1.00 0.00 H new ATOM 0 HB2 ARG A 88 39.577 -9.884 -23.011 1.00 0.00 H new ATOM 0 HB3 ARG A 88 37.827 -9.815 -22.958 1.00 0.00 H new ATOM 0 HG2 ARG A 88 37.783 -11.147 -21.155 1.00 0.00 H new ATOM 0 HG3 ARG A 88 38.645 -12.407 -22.017 1.00 0.00 H new ATOM 0 HD2 ARG A 88 39.940 -11.797 -20.061 1.00 0.00 H new ATOM 0 HD3 ARG A 88 40.808 -11.264 -21.487 1.00 0.00 H new ATOM 0 HE ARG A 88 39.369 -9.021 -20.834 1.00 0.00 H new ATOM 0 HH11 ARG A 88 41.434 -11.212 -18.992 1.00 0.00 H new ATOM 0 HH12 ARG A 88 41.959 -9.956 -17.865 1.00 0.00 H new ATOM 0 HH21 ARG A 88 40.047 -7.413 -19.385 1.00 0.00 H new ATOM 0 HH22 ARG A 88 41.177 -7.813 -18.087 1.00 0.00 H new ATOM 1314 N GLU A 89 40.926 -11.950 -23.987 1.00 0.00 N ATOM 1315 CA GLU A 89 42.062 -12.864 -23.961 1.00 0.00 C ATOM 1316 C GLU A 89 43.312 -12.162 -23.439 1.00 0.00 C ATOM 1317 O GLU A 89 43.358 -10.935 -23.348 1.00 0.00 O ATOM 1318 CB GLU A 89 42.325 -13.426 -25.359 1.00 0.00 C ATOM 1319 CG GLU A 89 42.994 -14.790 -25.351 1.00 0.00 C ATOM 1320 CD GLU A 89 43.061 -15.416 -26.730 1.00 0.00 C ATOM 1321 OE1 GLU A 89 41.990 -15.623 -27.339 1.00 0.00 O ATOM 1322 OE2 GLU A 89 44.182 -15.699 -27.201 1.00 0.00 O ATOM 0 H GLU A 89 41.155 -10.985 -23.749 1.00 0.00 H new ATOM 0 HA GLU A 89 41.820 -13.686 -23.287 1.00 0.00 H new ATOM 0 HB2 GLU A 89 41.379 -13.498 -25.896 1.00 0.00 H new ATOM 0 HB3 GLU A 89 42.953 -12.726 -25.911 1.00 0.00 H new ATOM 0 HG2 GLU A 89 44.003 -14.693 -24.951 1.00 0.00 H new ATOM 0 HG3 GLU A 89 42.448 -15.454 -24.681 1.00 0.00 H new ATOM 1329 N LYS A 90 44.325 -12.950 -23.095 1.00 0.00 N ATOM 1330 CA LYS A 90 45.578 -12.407 -22.582 1.00 0.00 C ATOM 1331 C LYS A 90 46.608 -13.514 -22.379 1.00 0.00 C ATOM 1332 O LYS A 90 46.272 -14.613 -21.938 1.00 0.00 O ATOM 1333 CB LYS A 90 45.336 -11.672 -21.262 1.00 0.00 C ATOM 1334 CG LYS A 90 45.858 -10.246 -21.256 1.00 0.00 C ATOM 1335 CD LYS A 90 47.364 -10.204 -21.055 1.00 0.00 C ATOM 1336 CE LYS A 90 47.750 -10.633 -19.647 1.00 0.00 C ATOM 1337 NZ LYS A 90 48.523 -9.576 -18.938 1.00 0.00 N ATOM 0 H LYS A 90 44.303 -13.968 -23.162 1.00 0.00 H new ATOM 0 HA LYS A 90 45.968 -11.703 -23.317 1.00 0.00 H new ATOM 0 HB2 LYS A 90 44.266 -11.659 -21.054 1.00 0.00 H new ATOM 0 HB3 LYS A 90 45.812 -12.228 -20.454 1.00 0.00 H new ATOM 0 HG2 LYS A 90 45.602 -9.760 -22.197 1.00 0.00 H new ATOM 0 HG3 LYS A 90 45.368 -9.682 -20.462 1.00 0.00 H new ATOM 0 HD2 LYS A 90 47.848 -10.857 -21.781 1.00 0.00 H new ATOM 0 HD3 LYS A 90 47.729 -9.194 -21.242 1.00 0.00 H new ATOM 0 HE2 LYS A 90 46.850 -10.867 -19.079 1.00 0.00 H new ATOM 0 HE3 LYS A 90 48.343 -11.546 -19.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 48.767 -9.906 -17.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 49.395 -9.370 -19.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 47.948 -8.712 -18.869 1.00 0.00 H new ATOM 1351 N ILE A 91 47.862 -13.215 -22.702 1.00 0.00 N ATOM 1352 CA ILE A 91 48.940 -14.184 -22.552 1.00 0.00 C ATOM 1353 C ILE A 91 48.967 -14.763 -21.141 1.00 0.00 C ATOM 1354 O ILE A 91 49.051 -14.027 -20.157 1.00 0.00 O ATOM 1355 CB ILE A 91 50.311 -13.553 -22.862 1.00 0.00 C ATOM 1356 CG1 ILE A 91 51.426 -14.583 -22.669 1.00 0.00 C ATOM 1357 CG2 ILE A 91 50.547 -12.338 -21.978 1.00 0.00 C ATOM 1358 CD1 ILE A 91 52.364 -14.687 -23.851 1.00 0.00 C ATOM 0 H ILE A 91 48.156 -12.310 -23.069 1.00 0.00 H new ATOM 0 HA ILE A 91 48.747 -14.984 -23.267 1.00 0.00 H new ATOM 0 HB ILE A 91 50.318 -13.228 -23.902 1.00 0.00 H new ATOM 0 HG12 ILE A 91 52.001 -14.321 -21.781 1.00 0.00 H new ATOM 0 HG13 ILE A 91 50.979 -15.560 -22.483 1.00 0.00 H new ATOM 0 HG21 ILE A 91 51.520 -11.903 -22.209 1.00 0.00 H new ATOM 0 HG22 ILE A 91 49.767 -11.599 -22.160 1.00 0.00 H new ATOM 0 HG23 ILE A 91 50.524 -12.640 -20.931 1.00 0.00 H new ATOM 0 HD11 ILE A 91 53.129 -15.436 -23.644 1.00 0.00 H new ATOM 0 HD12 ILE A 91 51.801 -14.979 -24.738 1.00 0.00 H new ATOM 0 HD13 ILE A 91 52.839 -13.721 -24.024 1.00 0.00 H new ATOM 1370 N LYS A 92 48.897 -16.086 -21.049 1.00 0.00 N ATOM 1371 CA LYS A 92 48.916 -16.766 -19.759 1.00 0.00 C ATOM 1372 C LYS A 92 49.068 -18.273 -19.941 1.00 0.00 C ATOM 1373 O LYS A 92 49.808 -18.924 -19.205 1.00 0.00 O ATOM 1374 CB LYS A 92 47.634 -16.462 -18.980 1.00 0.00 C ATOM 1375 CG LYS A 92 47.647 -16.993 -17.557 1.00 0.00 C ATOM 1376 CD LYS A 92 48.515 -16.136 -16.650 1.00 0.00 C ATOM 1377 CE LYS A 92 49.641 -16.947 -16.028 1.00 0.00 C ATOM 1378 NZ LYS A 92 49.875 -16.571 -14.606 1.00 0.00 N ATOM 0 H LYS A 92 48.827 -16.710 -21.853 1.00 0.00 H new ATOM 0 HA LYS A 92 49.773 -16.398 -19.194 1.00 0.00 H new ATOM 0 HB2 LYS A 92 47.481 -15.383 -18.955 1.00 0.00 H new ATOM 0 HB3 LYS A 92 46.785 -16.892 -19.512 1.00 0.00 H new ATOM 0 HG2 LYS A 92 46.629 -17.020 -17.168 1.00 0.00 H new ATOM 0 HG3 LYS A 92 48.017 -18.018 -17.554 1.00 0.00 H new ATOM 0 HD2 LYS A 92 48.934 -15.308 -17.222 1.00 0.00 H new ATOM 0 HD3 LYS A 92 47.901 -15.700 -15.862 1.00 0.00 H new ATOM 0 HE2 LYS A 92 49.400 -18.008 -16.088 1.00 0.00 H new ATOM 0 HE3 LYS A 92 50.557 -16.795 -16.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 50.650 -17.146 -14.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 50.130 -15.564 -14.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 49.009 -16.740 -14.055 1.00 0.00 H new ATOM 1392 N GLN A 93 48.363 -18.820 -20.927 1.00 0.00 N ATOM 1393 CA GLN A 93 48.421 -20.250 -21.204 1.00 0.00 C ATOM 1394 C GLN A 93 49.859 -20.700 -21.442 1.00 0.00 C ATOM 1395 O GLN A 93 50.200 -21.862 -21.223 1.00 0.00 O ATOM 1396 CB GLN A 93 47.560 -20.590 -22.422 1.00 0.00 C ATOM 1397 CG GLN A 93 47.638 -22.051 -22.834 1.00 0.00 C ATOM 1398 CD GLN A 93 46.687 -22.390 -23.965 1.00 0.00 C ATOM 1399 OE1 GLN A 93 45.602 -21.818 -24.072 1.00 0.00 O ATOM 1400 NE2 GLN A 93 47.091 -23.325 -24.818 1.00 0.00 N ATOM 0 H GLN A 93 47.746 -18.295 -21.546 1.00 0.00 H new ATOM 0 HA GLN A 93 48.033 -20.779 -20.334 1.00 0.00 H new ATOM 0 HB2 GLN A 93 46.522 -20.337 -22.205 1.00 0.00 H new ATOM 0 HB3 GLN A 93 47.871 -19.968 -23.261 1.00 0.00 H new ATOM 0 HG2 GLN A 93 48.658 -22.284 -23.140 1.00 0.00 H new ATOM 0 HG3 GLN A 93 47.411 -22.680 -21.973 1.00 0.00 H new ATOM 0 HE21 GLN A 93 47.998 -23.773 -24.691 1.00 0.00 H new ATOM 0 HE22 GLN A 93 46.494 -23.595 -25.600 1.00 0.00 H new ATOM 1409 N ALA A 94 50.697 -19.773 -21.892 1.00 0.00 N ATOM 1410 CA ALA A 94 52.098 -20.074 -22.158 1.00 0.00 C ATOM 1411 C ALA A 94 52.757 -20.733 -20.951 1.00 0.00 C ATOM 1412 O ALA A 94 53.685 -21.529 -21.095 1.00 0.00 O ATOM 1413 CB ALA A 94 52.847 -18.807 -22.544 1.00 0.00 C ATOM 0 H ALA A 94 50.430 -18.807 -22.080 1.00 0.00 H new ATOM 0 HA ALA A 94 52.141 -20.776 -22.991 1.00 0.00 H new ATOM 0 HB1 ALA A 94 53.892 -19.047 -22.740 1.00 0.00 H new ATOM 0 HB2 ALA A 94 52.399 -18.378 -23.441 1.00 0.00 H new ATOM 0 HB3 ALA A 94 52.787 -18.086 -21.729 1.00 0.00 H new ATOM 1419 N VAL A 95 52.271 -20.397 -19.761 1.00 0.00 N ATOM 1420 CA VAL A 95 52.813 -20.956 -18.528 1.00 0.00 C ATOM 1421 C VAL A 95 52.748 -22.479 -18.541 1.00 0.00 C ATOM 1422 O VAL A 95 53.526 -23.150 -17.864 1.00 0.00 O ATOM 1423 CB VAL A 95 52.056 -20.431 -17.293 1.00 0.00 C ATOM 1424 CG1 VAL A 95 50.626 -20.952 -17.282 1.00 0.00 C ATOM 1425 CG2 VAL A 95 52.784 -20.822 -16.016 1.00 0.00 C ATOM 0 H VAL A 95 51.503 -19.740 -19.624 1.00 0.00 H new ATOM 0 HA VAL A 95 53.854 -20.640 -18.468 1.00 0.00 H new ATOM 0 HB VAL A 95 52.021 -19.343 -17.345 1.00 0.00 H new ATOM 0 HG11 VAL A 95 50.107 -20.571 -16.403 1.00 0.00 H new ATOM 0 HG12 VAL A 95 50.110 -20.617 -18.182 1.00 0.00 H new ATOM 0 HG13 VAL A 95 50.636 -22.042 -17.254 1.00 0.00 H new ATOM 0 HG21 VAL A 95 52.235 -20.443 -15.154 1.00 0.00 H new ATOM 0 HG22 VAL A 95 52.852 -21.908 -15.954 1.00 0.00 H new ATOM 0 HG23 VAL A 95 53.787 -20.395 -16.024 1.00 0.00 H new ATOM 1435 N GLY A 96 51.813 -23.020 -19.316 1.00 0.00 N ATOM 1436 CA GLY A 96 51.664 -24.461 -19.404 1.00 0.00 C ATOM 1437 C GLY A 96 52.932 -25.148 -19.869 1.00 0.00 C ATOM 1438 O GLY A 96 53.115 -26.345 -19.648 1.00 0.00 O ATOM 0 H GLY A 96 51.156 -22.486 -19.885 1.00 0.00 H new ATOM 0 HA2 GLY A 96 51.379 -24.854 -18.428 1.00 0.00 H new ATOM 0 HA3 GLY A 96 50.853 -24.698 -20.092 1.00 0.00 H new ATOM 1442 N VAL A 97 53.810 -24.390 -20.517 1.00 0.00 N ATOM 1443 CA VAL A 97 55.068 -24.933 -21.016 1.00 0.00 C ATOM 1444 C VAL A 97 55.921 -25.479 -19.876 1.00 0.00 C ATOM 1445 O VAL A 97 56.404 -26.610 -19.935 1.00 0.00 O ATOM 1446 CB VAL A 97 55.875 -23.868 -21.782 1.00 0.00 C ATOM 1447 CG1 VAL A 97 57.194 -24.447 -22.271 1.00 0.00 C ATOM 1448 CG2 VAL A 97 55.062 -23.318 -22.944 1.00 0.00 C ATOM 0 H VAL A 97 53.674 -23.398 -20.709 1.00 0.00 H new ATOM 0 HA VAL A 97 54.814 -25.745 -21.698 1.00 0.00 H new ATOM 0 HB VAL A 97 56.096 -23.046 -21.102 1.00 0.00 H new ATOM 0 HG11 VAL A 97 57.750 -23.680 -22.810 1.00 0.00 H new ATOM 0 HG12 VAL A 97 57.780 -24.788 -21.418 1.00 0.00 H new ATOM 0 HG13 VAL A 97 56.998 -25.288 -22.936 1.00 0.00 H new ATOM 0 HG21 VAL A 97 55.647 -22.567 -23.474 1.00 0.00 H new ATOM 0 HG22 VAL A 97 54.809 -24.129 -23.627 1.00 0.00 H new ATOM 0 HG23 VAL A 97 54.147 -22.864 -22.565 1.00 0.00 H new ATOM 1458 N ASP A 98 56.103 -24.667 -18.840 1.00 0.00 N ATOM 1459 CA ASP A 98 56.897 -25.069 -17.685 1.00 0.00 C ATOM 1460 C ASP A 98 56.165 -26.125 -16.863 1.00 0.00 C ATOM 1461 O ASP A 98 56.776 -26.843 -16.070 1.00 0.00 O ATOM 1462 CB ASP A 98 57.216 -23.855 -16.811 1.00 0.00 C ATOM 1463 CG ASP A 98 58.429 -24.077 -15.930 1.00 0.00 C ATOM 1464 OD1 ASP A 98 58.834 -25.247 -15.763 1.00 0.00 O ATOM 1465 OD2 ASP A 98 58.974 -23.082 -15.408 1.00 0.00 O ATOM 0 H ASP A 98 55.712 -23.727 -18.777 1.00 0.00 H new ATOM 0 HA ASP A 98 57.830 -25.500 -18.049 1.00 0.00 H new ATOM 0 HB2 ASP A 98 57.388 -22.988 -17.448 1.00 0.00 H new ATOM 0 HB3 ASP A 98 56.354 -23.625 -16.185 1.00 0.00 H new ATOM 1470 N LEU A 99 54.854 -26.213 -17.056 1.00 0.00 N ATOM 1471 CA LEU A 99 54.037 -27.181 -16.332 1.00 0.00 C ATOM 1472 C LEU A 99 54.334 -28.602 -16.800 1.00 0.00 C ATOM 1473 O LEU A 99 54.613 -29.487 -15.991 1.00 0.00 O ATOM 1474 CB LEU A 99 52.552 -26.869 -16.522 1.00 0.00 C ATOM 1475 CG LEU A 99 51.575 -27.759 -15.753 1.00 0.00 C ATOM 1476 CD1 LEU A 99 51.452 -27.293 -14.310 1.00 0.00 C ATOM 1477 CD2 LEU A 99 50.213 -27.766 -16.431 1.00 0.00 C ATOM 0 H LEU A 99 54.334 -25.626 -17.708 1.00 0.00 H new ATOM 0 HA LEU A 99 54.284 -27.108 -15.273 1.00 0.00 H new ATOM 0 HB2 LEU A 99 52.378 -25.834 -16.227 1.00 0.00 H new ATOM 0 HB3 LEU A 99 52.319 -26.942 -17.584 1.00 0.00 H new ATOM 0 HG LEU A 99 51.963 -28.777 -15.753 1.00 0.00 H new ATOM 0 HD11 LEU A 99 50.753 -27.938 -13.778 1.00 0.00 H new ATOM 0 HD12 LEU A 99 52.428 -27.341 -13.828 1.00 0.00 H new ATOM 0 HD13 LEU A 99 51.087 -26.266 -14.289 1.00 0.00 H new ATOM 0 HD21 LEU A 99 49.531 -28.405 -15.870 1.00 0.00 H new ATOM 0 HD22 LEU A 99 49.817 -26.751 -16.462 1.00 0.00 H new ATOM 0 HD23 LEU A 99 50.314 -28.148 -17.447 1.00 0.00 H new ATOM 1489 N TRP A 100 54.273 -28.813 -18.110 1.00 0.00 N ATOM 1490 CA TRP A 100 54.538 -30.126 -18.686 1.00 0.00 C ATOM 1491 C TRP A 100 56.025 -30.457 -18.628 1.00 0.00 C ATOM 1492 O TRP A 100 56.409 -31.623 -18.540 1.00 0.00 O ATOM 1493 CB TRP A 100 54.047 -30.179 -20.134 1.00 0.00 C ATOM 1494 CG TRP A 100 55.069 -29.709 -21.125 1.00 0.00 C ATOM 1495 CD1 TRP A 100 55.147 -28.472 -21.699 1.00 0.00 C ATOM 1496 CD2 TRP A 100 56.158 -30.471 -21.659 1.00 0.00 C ATOM 1497 NE1 TRP A 100 56.218 -28.419 -22.558 1.00 0.00 N ATOM 1498 CE2 TRP A 100 56.855 -29.632 -22.551 1.00 0.00 C ATOM 1499 CE3 TRP A 100 56.613 -31.778 -21.470 1.00 0.00 C ATOM 1500 CZ2 TRP A 100 57.980 -30.060 -23.250 1.00 0.00 C ATOM 1501 CZ3 TRP A 100 57.729 -32.202 -22.166 1.00 0.00 C ATOM 1502 CH2 TRP A 100 58.403 -31.346 -23.046 1.00 0.00 C ATOM 0 H TRP A 100 54.042 -28.092 -18.793 1.00 0.00 H new ATOM 0 HA TRP A 100 53.997 -30.868 -18.099 1.00 0.00 H new ATOM 0 HB2 TRP A 100 53.761 -31.203 -20.376 1.00 0.00 H new ATOM 0 HB3 TRP A 100 53.151 -29.566 -20.229 1.00 0.00 H new ATOM 0 HD1 TRP A 100 54.467 -27.656 -21.506 1.00 0.00 H new ATOM 0 HE1 TRP A 100 56.494 -27.608 -23.111 1.00 0.00 H new ATOM 0 HE3 TRP A 100 56.102 -32.445 -20.792 1.00 0.00 H new ATOM 0 HZ2 TRP A 100 58.501 -29.401 -23.929 1.00 0.00 H new ATOM 0 HZ3 TRP A 100 58.088 -33.211 -22.029 1.00 0.00 H new ATOM 0 HH2 TRP A 100 59.273 -31.707 -23.574 1.00 0.00 H new ATOM 1513 N LYS A 101 56.859 -29.424 -18.677 1.00 0.00 N ATOM 1514 CA LYS A 101 58.305 -29.604 -18.628 1.00 0.00 C ATOM 1515 C LYS A 101 58.705 -30.476 -17.443 1.00 0.00 C ATOM 1516 O LYS A 101 57.926 -30.665 -16.508 1.00 0.00 O ATOM 1517 CB LYS A 101 59.006 -28.246 -18.535 1.00 0.00 C ATOM 1518 CG LYS A 101 60.499 -28.313 -18.807 1.00 0.00 C ATOM 1519 CD LYS A 101 60.982 -27.089 -19.568 1.00 0.00 C ATOM 1520 CE LYS A 101 60.935 -25.840 -18.701 1.00 0.00 C ATOM 1521 NZ LYS A 101 62.167 -25.016 -18.848 1.00 0.00 N ATOM 0 H LYS A 101 56.558 -28.452 -18.751 1.00 0.00 H new ATOM 0 HA LYS A 101 58.615 -30.104 -19.546 1.00 0.00 H new ATOM 0 HB2 LYS A 101 58.546 -27.560 -19.246 1.00 0.00 H new ATOM 0 HB3 LYS A 101 58.845 -27.830 -17.540 1.00 0.00 H new ATOM 0 HG2 LYS A 101 61.039 -28.392 -17.863 1.00 0.00 H new ATOM 0 HG3 LYS A 101 60.725 -29.212 -19.380 1.00 0.00 H new ATOM 0 HD2 LYS A 101 62.002 -27.254 -19.915 1.00 0.00 H new ATOM 0 HD3 LYS A 101 60.364 -26.942 -20.453 1.00 0.00 H new ATOM 0 HE2 LYS A 101 60.064 -25.243 -18.971 1.00 0.00 H new ATOM 0 HE3 LYS A 101 60.813 -26.127 -17.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 62.096 -24.174 -18.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 62.996 -25.577 -18.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 62.271 -24.720 -19.840 1.00 0.00 H new TER 1535 LYS A 101