USER MOD reduce.3.24.130724 H: found=0, std=0, add=270, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 271 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 68 THR OG1 : rot 32:sc= 0.165 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= -1.77! C(o=-1.8!,f=-2.1!) USER MOD Single : A 77 ASN : amide:sc= -0.486 X(o=-0.49,f=-0.021) USER MOD Single : A 81 GLN : amide:sc= -12.5! C(o=-12!,f=-6.8!) USER MOD Single : A 82 GLN : amide:sc= -2.96! C(o=-3!,f=-4.9!) USER MOD Single : A 87 LYS NZ :NH3+ 160:sc= -0.0514 (180deg=-0.502) USER MOD Single : A 88 ASN : amide:sc= -5.23! C(o=-5.2!,f=-3.8!) USER MOD Single : A 90 SER OG : rot 180:sc= -0.0922 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 68 7.896 -5.876 0.967 1.00 0.00 N ATOM 2 CA THR A 68 6.407 -5.921 0.986 1.00 0.00 C ATOM 3 C THR A 68 5.933 -7.178 0.253 1.00 0.00 C ATOM 4 O THR A 68 6.060 -8.279 0.751 1.00 0.00 O ATOM 5 CB THR A 68 5.867 -4.666 0.285 1.00 0.00 C ATOM 6 OG1 THR A 68 6.371 -3.513 0.945 1.00 0.00 O ATOM 7 CG2 THR A 68 4.331 -4.641 0.324 1.00 0.00 C ATOM 0 HA THR A 68 6.041 -5.949 2.012 1.00 0.00 H new ATOM 0 HB THR A 68 6.190 -4.677 -0.756 1.00 0.00 H new ATOM 0 HG1 THR A 68 7.262 -3.705 1.304 1.00 0.00 H new ATOM 0 HG21 THR A 68 3.969 -3.744 -0.178 1.00 0.00 H new ATOM 0 HG22 THR A 68 3.940 -5.523 -0.183 1.00 0.00 H new ATOM 0 HG23 THR A 68 3.993 -4.638 1.360 1.00 0.00 H new ATOM 15 N VAL A 69 5.389 -7.024 -0.922 1.00 0.00 N ATOM 16 CA VAL A 69 4.901 -8.200 -1.690 1.00 0.00 C ATOM 17 C VAL A 69 4.530 -7.726 -3.108 1.00 0.00 C ATOM 18 O VAL A 69 5.374 -7.226 -3.825 1.00 0.00 O ATOM 19 CB VAL A 69 3.698 -8.812 -0.937 1.00 0.00 C ATOM 20 CG1 VAL A 69 2.659 -7.712 -0.633 1.00 0.00 C ATOM 21 CG2 VAL A 69 3.057 -9.982 -1.742 1.00 0.00 C ATOM 0 H VAL A 69 5.261 -6.125 -1.386 1.00 0.00 H new ATOM 0 HA VAL A 69 5.663 -8.974 -1.782 1.00 0.00 H new ATOM 0 HB VAL A 69 4.055 -9.229 0.004 1.00 0.00 H new ATOM 0 HG11 VAL A 69 1.813 -8.148 -0.102 1.00 0.00 H new ATOM 0 HG12 VAL A 69 3.117 -6.940 -0.015 1.00 0.00 H new ATOM 0 HG13 VAL A 69 2.313 -7.270 -1.567 1.00 0.00 H new ATOM 0 HG21 VAL A 69 2.214 -10.389 -1.183 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.709 -9.612 -2.706 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.799 -10.764 -1.900 1.00 0.00 H new ATOM 31 N LEU A 70 3.299 -7.853 -3.529 1.00 0.00 N ATOM 32 CA LEU A 70 2.946 -7.377 -4.898 1.00 0.00 C ATOM 33 C LEU A 70 3.129 -5.858 -4.957 1.00 0.00 C ATOM 34 O LEU A 70 2.836 -5.229 -5.953 1.00 0.00 O ATOM 35 CB LEU A 70 1.487 -7.717 -5.230 1.00 0.00 C ATOM 36 CG LEU A 70 1.205 -9.207 -5.001 1.00 0.00 C ATOM 37 CD1 LEU A 70 -0.158 -9.558 -5.600 1.00 0.00 C ATOM 38 CD2 LEU A 70 2.290 -10.065 -5.668 1.00 0.00 C ATOM 0 H LEU A 70 2.533 -8.260 -2.993 1.00 0.00 H new ATOM 0 HA LEU A 70 3.595 -7.870 -5.622 1.00 0.00 H new ATOM 0 HB2 LEU A 70 0.820 -7.117 -4.611 1.00 0.00 H new ATOM 0 HB3 LEU A 70 1.277 -7.459 -6.268 1.00 0.00 H new ATOM 0 HG LEU A 70 1.206 -9.408 -3.930 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -0.364 -10.616 -5.440 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -0.932 -8.961 -5.118 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -0.151 -9.347 -6.669 1.00 0.00 H new ATOM 0 HD21 LEU A 70 2.076 -11.120 -5.497 1.00 0.00 H new ATOM 0 HD22 LEU A 70 2.303 -9.867 -6.740 1.00 0.00 H new ATOM 0 HD23 LEU A 70 3.262 -9.818 -5.242 1.00 0.00 H new ATOM 50 N SER A 71 3.608 -5.269 -3.891 1.00 0.00 N ATOM 51 CA SER A 71 3.813 -3.791 -3.864 1.00 0.00 C ATOM 52 C SER A 71 2.514 -3.081 -4.203 1.00 0.00 C ATOM 53 O SER A 71 2.029 -3.115 -5.317 1.00 0.00 O ATOM 54 CB SER A 71 4.904 -3.391 -4.860 1.00 0.00 C ATOM 55 OG SER A 71 6.168 -3.809 -4.364 1.00 0.00 O ATOM 0 H SER A 71 3.868 -5.754 -3.032 1.00 0.00 H new ATOM 0 HA SER A 71 4.127 -3.497 -2.862 1.00 0.00 H new ATOM 0 HB2 SER A 71 4.712 -3.848 -5.831 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.898 -2.311 -5.010 1.00 0.00 H new ATOM 0 HG SER A 71 6.869 -3.556 -5.000 1.00 0.00 H new ATOM 61 N VAL A 72 1.952 -2.432 -3.231 1.00 0.00 N ATOM 62 CA VAL A 72 0.682 -1.703 -3.442 1.00 0.00 C ATOM 63 C VAL A 72 0.983 -0.324 -4.032 1.00 0.00 C ATOM 64 O VAL A 72 0.114 0.337 -4.568 1.00 0.00 O ATOM 65 CB VAL A 72 -0.007 -1.552 -2.091 1.00 0.00 C ATOM 66 CG1 VAL A 72 -0.211 -2.936 -1.470 1.00 0.00 C ATOM 67 CG2 VAL A 72 0.873 -0.708 -1.166 1.00 0.00 C ATOM 0 H VAL A 72 2.326 -2.375 -2.284 1.00 0.00 H new ATOM 0 HA VAL A 72 0.036 -2.247 -4.131 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.972 -1.064 -2.225 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -0.704 -2.832 -0.503 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -0.831 -3.543 -2.130 1.00 0.00 H new ATOM 0 HG13 VAL A 72 0.756 -3.420 -1.334 1.00 0.00 H new ATOM 0 HG21 VAL A 72 0.383 -0.598 -0.199 1.00 0.00 H new ATOM 0 HG22 VAL A 72 1.836 -1.200 -1.031 1.00 0.00 H new ATOM 0 HG23 VAL A 72 1.027 0.276 -1.609 1.00 0.00 H new ATOM 77 N GLY A 73 2.211 0.112 -3.941 1.00 0.00 N ATOM 78 CA GLY A 73 2.580 1.448 -4.495 1.00 0.00 C ATOM 79 C GLY A 73 1.986 1.612 -5.896 1.00 0.00 C ATOM 80 O GLY A 73 1.927 2.701 -6.430 1.00 0.00 O ATOM 0 H GLY A 73 2.977 -0.401 -3.505 1.00 0.00 H new ATOM 0 HA2 GLY A 73 2.212 2.238 -3.840 1.00 0.00 H new ATOM 0 HA3 GLY A 73 3.665 1.548 -4.536 1.00 0.00 H new ATOM 84 N GLY A 74 1.547 0.542 -6.496 1.00 0.00 N ATOM 85 CA GLY A 74 0.960 0.641 -7.860 1.00 0.00 C ATOM 86 C GLY A 74 -0.396 1.348 -7.794 1.00 0.00 C ATOM 87 O GLY A 74 -0.624 2.335 -8.464 1.00 0.00 O ATOM 0 H GLY A 74 1.569 -0.398 -6.100 1.00 0.00 H new ATOM 0 HA2 GLY A 74 1.635 1.190 -8.517 1.00 0.00 H new ATOM 0 HA3 GLY A 74 0.840 -0.355 -8.287 1.00 0.00 H new ATOM 91 N GLN A 75 -1.303 0.853 -6.994 1.00 0.00 N ATOM 92 CA GLN A 75 -2.640 1.498 -6.902 1.00 0.00 C ATOM 93 C GLN A 75 -2.526 2.800 -6.112 1.00 0.00 C ATOM 94 O GLN A 75 -3.209 3.767 -6.387 1.00 0.00 O ATOM 95 CB GLN A 75 -3.621 0.549 -6.205 1.00 0.00 C ATOM 96 CG GLN A 75 -4.061 -0.541 -7.185 1.00 0.00 C ATOM 97 CD GLN A 75 -2.845 -1.372 -7.599 1.00 0.00 C ATOM 98 OE1 GLN A 75 -2.280 -1.161 -8.653 1.00 0.00 O ATOM 99 NE2 GLN A 75 -2.413 -2.314 -6.806 1.00 0.00 N ATOM 0 H GLN A 75 -1.174 0.032 -6.403 1.00 0.00 H new ATOM 0 HA GLN A 75 -3.007 1.719 -7.904 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -3.149 0.099 -5.332 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -4.489 1.104 -5.848 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -4.812 -1.181 -6.721 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -4.524 -0.091 -8.063 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -2.887 -2.492 -5.920 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -1.602 -2.872 -7.072 1.00 0.00 H new ATOM 108 N VAL A 76 -1.667 2.837 -5.135 1.00 0.00 N ATOM 109 CA VAL A 76 -1.510 4.081 -4.336 1.00 0.00 C ATOM 110 C VAL A 76 -0.879 5.157 -5.221 1.00 0.00 C ATOM 111 O VAL A 76 -1.470 6.188 -5.480 1.00 0.00 O ATOM 112 CB VAL A 76 -0.610 3.803 -3.130 1.00 0.00 C ATOM 113 CG1 VAL A 76 -0.684 4.977 -2.154 1.00 0.00 C ATOM 114 CG2 VAL A 76 -1.083 2.527 -2.425 1.00 0.00 C ATOM 0 H VAL A 76 -1.067 2.061 -4.855 1.00 0.00 H new ATOM 0 HA VAL A 76 -2.482 4.423 -3.980 1.00 0.00 H new ATOM 0 HB VAL A 76 0.418 3.675 -3.468 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -0.043 4.778 -1.296 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -0.350 5.887 -2.653 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -1.712 5.105 -1.816 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -0.443 2.328 -1.566 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -2.112 2.657 -2.089 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -1.031 1.688 -3.118 1.00 0.00 H new ATOM 124 N ASN A 77 0.310 4.914 -5.703 1.00 0.00 N ATOM 125 CA ASN A 77 0.972 5.913 -6.585 1.00 0.00 C ATOM 126 C ASN A 77 0.002 6.312 -7.697 1.00 0.00 C ATOM 127 O ASN A 77 0.020 7.423 -8.182 1.00 0.00 O ATOM 128 CB ASN A 77 2.231 5.301 -7.204 1.00 0.00 C ATOM 129 CG ASN A 77 3.022 6.391 -7.932 1.00 0.00 C ATOM 130 OD1 ASN A 77 3.993 6.903 -7.413 1.00 0.00 O ATOM 131 ND2 ASN A 77 2.642 6.769 -9.122 1.00 0.00 N ATOM 0 H ASN A 77 0.850 4.067 -5.523 1.00 0.00 H new ATOM 0 HA ASN A 77 1.250 6.790 -6.001 1.00 0.00 H new ATOM 0 HB2 ASN A 77 2.847 4.846 -6.428 1.00 0.00 H new ATOM 0 HB3 ASN A 77 1.958 4.508 -7.900 1.00 0.00 H new ATOM 0 HD21 ASN A 77 3.161 7.495 -9.616 1.00 0.00 H new ATOM 0 HD22 ASN A 77 1.826 6.339 -9.558 1.00 0.00 H new ATOM 138 N LEU A 78 -0.848 5.408 -8.102 1.00 0.00 N ATOM 139 CA LEU A 78 -1.826 5.726 -9.181 1.00 0.00 C ATOM 140 C LEU A 78 -2.926 6.630 -8.613 1.00 0.00 C ATOM 141 O LEU A 78 -3.392 7.541 -9.259 1.00 0.00 O ATOM 142 CB LEU A 78 -2.442 4.415 -9.694 1.00 0.00 C ATOM 143 CG LEU A 78 -3.413 4.679 -10.858 1.00 0.00 C ATOM 144 CD1 LEU A 78 -2.642 5.142 -12.105 1.00 0.00 C ATOM 145 CD2 LEU A 78 -4.171 3.383 -11.176 1.00 0.00 C ATOM 0 H LEU A 78 -0.907 4.460 -7.731 1.00 0.00 H new ATOM 0 HA LEU A 78 -1.327 6.241 -10.002 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -1.650 3.741 -10.022 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -2.970 3.915 -8.882 1.00 0.00 H new ATOM 0 HG LEU A 78 -4.114 5.463 -10.571 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -3.343 5.324 -12.919 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -2.102 6.061 -11.878 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -1.934 4.369 -12.403 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -4.862 3.559 -12.000 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.461 2.606 -11.458 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -4.729 3.063 -10.296 1.00 0.00 H new ATOM 157 N LEU A 79 -3.355 6.373 -7.415 1.00 0.00 N ATOM 158 CA LEU A 79 -4.434 7.201 -6.819 1.00 0.00 C ATOM 159 C LEU A 79 -3.986 8.661 -6.662 1.00 0.00 C ATOM 160 O LEU A 79 -4.799 9.564 -6.673 1.00 0.00 O ATOM 161 CB LEU A 79 -4.789 6.632 -5.443 1.00 0.00 C ATOM 162 CG LEU A 79 -6.098 7.253 -4.934 1.00 0.00 C ATOM 163 CD1 LEU A 79 -7.288 6.806 -5.812 1.00 0.00 C ATOM 164 CD2 LEU A 79 -6.323 6.808 -3.483 1.00 0.00 C ATOM 0 H LEU A 79 -3.004 5.623 -6.820 1.00 0.00 H new ATOM 0 HA LEU A 79 -5.301 7.177 -7.480 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -4.892 5.549 -5.505 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -3.983 6.836 -4.738 1.00 0.00 H new ATOM 0 HG LEU A 79 -6.027 8.339 -4.985 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -8.207 7.256 -5.436 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -7.122 7.126 -6.841 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -7.376 5.720 -5.780 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -7.250 7.242 -3.109 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -6.389 5.721 -3.442 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -5.490 7.144 -2.866 1.00 0.00 H new ATOM 176 N ILE A 80 -2.709 8.912 -6.498 1.00 0.00 N ATOM 177 CA ILE A 80 -2.247 10.324 -6.314 1.00 0.00 C ATOM 178 C ILE A 80 -1.886 10.957 -7.657 1.00 0.00 C ATOM 179 O ILE A 80 -2.162 12.113 -7.889 1.00 0.00 O ATOM 180 CB ILE A 80 -1.026 10.353 -5.374 1.00 0.00 C ATOM 181 CG1 ILE A 80 -0.348 11.759 -5.399 1.00 0.00 C ATOM 182 CG2 ILE A 80 -0.036 9.256 -5.781 1.00 0.00 C ATOM 183 CD1 ILE A 80 0.865 11.799 -6.351 1.00 0.00 C ATOM 0 H ILE A 80 -1.972 8.207 -6.484 1.00 0.00 H new ATOM 0 HA ILE A 80 -3.060 10.900 -5.871 1.00 0.00 H new ATOM 0 HB ILE A 80 -1.356 10.163 -4.353 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -1.077 12.508 -5.709 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -0.027 12.025 -4.392 1.00 0.00 H new ATOM 0 HG21 ILE A 80 0.826 9.279 -5.115 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -0.522 8.283 -5.712 1.00 0.00 H new ATOM 0 HG23 ILE A 80 0.293 9.425 -6.806 1.00 0.00 H new ATOM 0 HD11 ILE A 80 1.306 12.796 -6.337 1.00 0.00 H new ATOM 0 HD12 ILE A 80 1.607 11.070 -6.026 1.00 0.00 H new ATOM 0 HD13 ILE A 80 0.541 11.560 -7.364 1.00 0.00 H new ATOM 195 N GLN A 81 -1.257 10.230 -8.534 1.00 0.00 N ATOM 196 CA GLN A 81 -0.870 10.811 -9.830 1.00 0.00 C ATOM 197 C GLN A 81 -2.140 11.132 -10.644 1.00 0.00 C ATOM 198 O GLN A 81 -2.123 11.978 -11.515 1.00 0.00 O ATOM 199 CB GLN A 81 0.065 9.788 -10.525 1.00 0.00 C ATOM 200 CG GLN A 81 -0.260 9.627 -12.004 1.00 0.00 C ATOM 201 CD GLN A 81 -1.539 8.806 -12.165 1.00 0.00 C ATOM 202 OE1 GLN A 81 -1.969 8.539 -13.269 1.00 0.00 O ATOM 203 NE2 GLN A 81 -2.170 8.392 -11.100 1.00 0.00 N ATOM 0 H GLN A 81 -0.996 9.253 -8.401 1.00 0.00 H new ATOM 0 HA GLN A 81 -0.332 11.753 -9.724 1.00 0.00 H new ATOM 0 HB2 GLN A 81 1.100 10.111 -10.415 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -0.022 8.822 -10.028 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -0.384 10.606 -12.467 1.00 0.00 H new ATOM 0 HG3 GLN A 81 0.567 9.134 -12.516 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -1.808 8.617 -10.173 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -3.025 7.844 -11.195 1.00 0.00 H new ATOM 212 N GLN A 82 -3.239 10.474 -10.364 1.00 0.00 N ATOM 213 CA GLN A 82 -4.497 10.755 -11.119 1.00 0.00 C ATOM 214 C GLN A 82 -5.330 11.771 -10.321 1.00 0.00 C ATOM 215 O GLN A 82 -5.986 12.625 -10.881 1.00 0.00 O ATOM 216 CB GLN A 82 -5.254 9.411 -11.317 1.00 0.00 C ATOM 217 CG GLN A 82 -6.770 9.559 -11.122 1.00 0.00 C ATOM 218 CD GLN A 82 -7.310 10.649 -12.052 1.00 0.00 C ATOM 219 OE1 GLN A 82 -6.664 11.020 -13.012 1.00 0.00 O ATOM 220 NE2 GLN A 82 -8.477 11.182 -11.807 1.00 0.00 N ATOM 0 H GLN A 82 -3.318 9.755 -9.645 1.00 0.00 H new ATOM 0 HA GLN A 82 -4.293 11.183 -12.100 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -5.055 9.029 -12.318 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -4.870 8.674 -10.612 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -7.267 8.611 -11.331 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -6.989 9.812 -10.085 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -9.020 10.872 -11.002 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -8.845 11.909 -12.421 1.00 0.00 H new ATOM 229 N ALA A 83 -5.321 11.670 -9.020 1.00 0.00 N ATOM 230 CA ALA A 83 -6.124 12.612 -8.192 1.00 0.00 C ATOM 231 C ALA A 83 -5.643 14.056 -8.391 1.00 0.00 C ATOM 232 O ALA A 83 -6.293 14.991 -7.970 1.00 0.00 O ATOM 233 CB ALA A 83 -5.988 12.228 -6.721 1.00 0.00 C ATOM 0 H ALA A 83 -4.791 10.975 -8.495 1.00 0.00 H new ATOM 0 HA ALA A 83 -7.168 12.549 -8.500 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -6.574 12.915 -6.110 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -6.352 11.211 -6.575 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -4.940 12.284 -6.426 1.00 0.00 H new ATOM 239 N ILE A 84 -4.517 14.256 -9.019 1.00 0.00 N ATOM 240 CA ILE A 84 -4.016 15.641 -9.225 1.00 0.00 C ATOM 241 C ILE A 84 -5.102 16.506 -9.877 1.00 0.00 C ATOM 242 O ILE A 84 -4.930 17.694 -10.063 1.00 0.00 O ATOM 243 CB ILE A 84 -2.782 15.591 -10.130 1.00 0.00 C ATOM 244 CG1 ILE A 84 -1.791 14.545 -9.599 1.00 0.00 C ATOM 245 CG2 ILE A 84 -2.109 16.956 -10.164 1.00 0.00 C ATOM 246 CD1 ILE A 84 -1.488 14.802 -8.117 1.00 0.00 C ATOM 0 H ILE A 84 -3.923 13.519 -9.398 1.00 0.00 H new ATOM 0 HA ILE A 84 -3.754 16.080 -8.262 1.00 0.00 H new ATOM 0 HB ILE A 84 -3.092 15.317 -11.138 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -2.206 13.545 -9.724 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -0.868 14.582 -10.178 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -1.232 16.913 -10.810 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -2.809 17.697 -10.551 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -1.804 17.237 -9.156 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -0.784 14.053 -7.754 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -1.053 15.795 -8.001 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -2.411 14.741 -7.541 1.00 0.00 H new ATOM 258 N ASP A 85 -6.220 15.927 -10.225 1.00 0.00 N ATOM 259 CA ASP A 85 -7.308 16.725 -10.863 1.00 0.00 C ATOM 260 C ASP A 85 -7.529 18.021 -10.049 1.00 0.00 C ATOM 261 O ASP A 85 -6.993 18.169 -8.970 1.00 0.00 O ATOM 262 CB ASP A 85 -8.600 15.865 -10.889 1.00 0.00 C ATOM 263 CG ASP A 85 -9.008 15.534 -12.332 1.00 0.00 C ATOM 264 OD1 ASP A 85 -8.858 16.395 -13.183 1.00 0.00 O ATOM 265 OD2 ASP A 85 -9.466 14.426 -12.558 1.00 0.00 O ATOM 0 H ASP A 85 -6.427 14.937 -10.095 1.00 0.00 H new ATOM 0 HA ASP A 85 -7.040 16.998 -11.884 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -8.439 14.942 -10.331 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -9.409 16.401 -10.392 1.00 0.00 H new ATOM 270 N PRO A 86 -8.311 18.949 -10.558 1.00 0.00 N ATOM 271 CA PRO A 86 -8.598 20.242 -9.850 1.00 0.00 C ATOM 272 C PRO A 86 -9.086 20.058 -8.402 1.00 0.00 C ATOM 273 O PRO A 86 -9.517 21.003 -7.769 1.00 0.00 O ATOM 274 CB PRO A 86 -9.705 20.886 -10.702 1.00 0.00 C ATOM 275 CG PRO A 86 -9.523 20.312 -12.067 1.00 0.00 C ATOM 276 CD PRO A 86 -9.000 18.887 -11.865 1.00 0.00 C ATOM 0 HA PRO A 86 -7.693 20.843 -9.760 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -10.694 20.655 -10.305 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -9.612 21.972 -10.715 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -10.465 20.307 -12.616 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -8.818 20.907 -12.649 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -9.812 18.160 -11.856 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -8.319 18.593 -12.663 1.00 0.00 H new ATOM 284 N LYS A 87 -9.038 18.865 -7.870 1.00 0.00 N ATOM 285 CA LYS A 87 -9.516 18.667 -6.470 1.00 0.00 C ATOM 286 C LYS A 87 -8.903 19.736 -5.564 1.00 0.00 C ATOM 287 O LYS A 87 -9.408 20.023 -4.499 1.00 0.00 O ATOM 288 CB LYS A 87 -9.121 17.271 -5.963 1.00 0.00 C ATOM 289 CG LYS A 87 -7.597 17.149 -5.841 1.00 0.00 C ATOM 290 CD LYS A 87 -7.242 15.758 -5.314 1.00 0.00 C ATOM 291 CE LYS A 87 -5.724 15.646 -5.147 1.00 0.00 C ATOM 292 NZ LYS A 87 -5.266 16.588 -4.088 1.00 0.00 N ATOM 0 H LYS A 87 -8.692 18.027 -8.338 1.00 0.00 H new ATOM 0 HA LYS A 87 -10.603 18.752 -6.453 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -9.584 17.086 -4.994 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -9.498 16.510 -6.647 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -7.129 17.313 -6.811 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -7.212 17.915 -5.168 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -7.737 15.582 -4.359 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -7.600 14.994 -6.004 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -5.452 14.624 -4.881 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -5.227 15.874 -6.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -4.334 16.289 -3.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -5.196 17.547 -4.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -5.948 16.586 -3.303 1.00 0.00 H new ATOM 306 N ASN A 88 -7.815 20.325 -5.979 1.00 0.00 N ATOM 307 CA ASN A 88 -7.168 21.371 -5.137 1.00 0.00 C ATOM 308 C ASN A 88 -8.034 22.629 -5.144 1.00 0.00 C ATOM 309 O ASN A 88 -8.527 23.067 -4.121 1.00 0.00 O ATOM 310 CB ASN A 88 -5.785 21.703 -5.702 1.00 0.00 C ATOM 311 CG ASN A 88 -5.900 21.983 -7.201 1.00 0.00 C ATOM 312 OD1 ASN A 88 -5.818 21.079 -8.008 1.00 0.00 O ATOM 313 ND2 ASN A 88 -6.085 23.209 -7.610 1.00 0.00 N ATOM 0 H ASN A 88 -7.347 20.128 -6.863 1.00 0.00 H new ATOM 0 HA ASN A 88 -7.062 21.003 -4.117 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -5.370 22.571 -5.190 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -5.100 20.873 -5.528 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -6.161 23.408 -8.608 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -6.154 23.968 -6.932 1.00 0.00 H new ATOM 320 N LEU A 89 -8.233 23.207 -6.296 1.00 0.00 N ATOM 321 CA LEU A 89 -9.077 24.427 -6.383 1.00 0.00 C ATOM 322 C LEU A 89 -10.413 24.150 -5.696 1.00 0.00 C ATOM 323 O LEU A 89 -11.061 25.043 -5.187 1.00 0.00 O ATOM 324 CB LEU A 89 -9.298 24.772 -7.867 1.00 0.00 C ATOM 325 CG LEU A 89 -10.446 25.808 -8.035 1.00 0.00 C ATOM 326 CD1 LEU A 89 -10.081 26.825 -9.124 1.00 0.00 C ATOM 327 CD2 LEU A 89 -11.749 25.102 -8.445 1.00 0.00 C ATOM 0 H LEU A 89 -7.845 22.884 -7.183 1.00 0.00 H new ATOM 0 HA LEU A 89 -8.590 25.269 -5.890 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -8.377 25.172 -8.292 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -9.538 23.865 -8.423 1.00 0.00 H new ATOM 0 HG LEU A 89 -10.587 26.316 -7.081 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -10.891 27.546 -9.234 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -9.166 27.347 -8.843 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -9.926 26.306 -10.070 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -12.543 25.840 -8.559 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -11.599 24.582 -9.391 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -12.030 24.382 -7.676 1.00 0.00 H new ATOM 339 N SER A 90 -10.829 22.911 -5.679 1.00 0.00 N ATOM 340 CA SER A 90 -12.120 22.554 -5.031 1.00 0.00 C ATOM 341 C SER A 90 -11.884 22.228 -3.552 1.00 0.00 C ATOM 342 O SER A 90 -12.777 22.329 -2.736 1.00 0.00 O ATOM 343 CB SER A 90 -12.718 21.335 -5.734 1.00 0.00 C ATOM 344 OG SER A 90 -13.804 20.834 -4.965 1.00 0.00 O ATOM 0 H SER A 90 -10.324 22.126 -6.090 1.00 0.00 H new ATOM 0 HA SER A 90 -12.809 23.395 -5.107 1.00 0.00 H new ATOM 0 HB2 SER A 90 -13.060 21.608 -6.732 1.00 0.00 H new ATOM 0 HB3 SER A 90 -11.958 20.563 -5.857 1.00 0.00 H new ATOM 0 HG SER A 90 -14.190 20.053 -5.414 1.00 0.00 H new ATOM 350 N ARG A 91 -10.692 21.831 -3.201 1.00 0.00 N ATOM 351 CA ARG A 91 -10.408 21.493 -1.779 1.00 0.00 C ATOM 352 C ARG A 91 -10.407 22.776 -0.944 1.00 0.00 C ATOM 353 O ARG A 91 -10.618 22.749 0.252 1.00 0.00 O ATOM 354 CB ARG A 91 -9.032 20.816 -1.688 1.00 0.00 C ATOM 355 CG ARG A 91 -8.630 20.602 -0.222 1.00 0.00 C ATOM 356 CD ARG A 91 -9.715 19.803 0.503 1.00 0.00 C ATOM 357 NE ARG A 91 -10.189 18.698 -0.377 1.00 0.00 N ATOM 358 CZ ARG A 91 -9.436 17.648 -0.566 1.00 0.00 C ATOM 359 NH1 ARG A 91 -9.851 16.678 -1.335 1.00 0.00 N ATOM 360 NH2 ARG A 91 -8.269 17.570 0.011 1.00 0.00 N ATOM 0 H ARG A 91 -9.902 21.726 -3.838 1.00 0.00 H new ATOM 0 HA ARG A 91 -11.173 20.816 -1.399 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -9.057 19.858 -2.207 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -8.285 21.431 -2.190 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -7.679 20.071 -0.170 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -8.485 21.564 0.269 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -9.321 19.397 1.435 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -10.548 20.455 0.766 1.00 0.00 H new ATOM 0 HE ARG A 91 -11.100 18.762 -0.831 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -10.763 16.741 -1.788 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -9.263 15.858 -1.483 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -7.944 18.329 0.610 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -7.681 16.750 -0.137 1.00 0.00 H new ATOM 374 N LEU A 92 -10.165 23.899 -1.561 1.00 0.00 N ATOM 375 CA LEU A 92 -10.142 25.178 -0.798 1.00 0.00 C ATOM 376 C LEU A 92 -11.376 25.266 0.100 1.00 0.00 C ATOM 377 O LEU A 92 -11.408 26.022 1.051 1.00 0.00 O ATOM 378 CB LEU A 92 -10.135 26.357 -1.773 1.00 0.00 C ATOM 379 CG LEU A 92 -8.915 26.264 -2.699 1.00 0.00 C ATOM 380 CD1 LEU A 92 -8.984 27.394 -3.730 1.00 0.00 C ATOM 381 CD2 LEU A 92 -7.617 26.389 -1.880 1.00 0.00 C ATOM 0 H LEU A 92 -9.982 23.986 -2.561 1.00 0.00 H new ATOM 0 HA LEU A 92 -9.244 25.211 -0.181 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -11.051 26.357 -2.364 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -10.112 27.296 -1.221 1.00 0.00 H new ATOM 0 HG LEU A 92 -8.918 25.299 -3.206 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -8.120 27.335 -4.392 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -9.898 27.297 -4.316 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -8.983 28.356 -3.217 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -6.758 26.322 -2.547 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -7.602 27.350 -1.366 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -7.571 25.584 -1.146 1.00 0.00 H new ATOM 393 N PHE A 93 -12.393 24.498 -0.187 1.00 0.00 N ATOM 394 CA PHE A 93 -13.617 24.547 0.665 1.00 0.00 C ATOM 395 C PHE A 93 -14.449 23.260 0.470 1.00 0.00 C ATOM 396 O PHE A 93 -14.568 22.471 1.385 1.00 0.00 O ATOM 397 CB PHE A 93 -14.432 25.811 0.311 1.00 0.00 C ATOM 398 CG PHE A 93 -14.074 26.949 1.247 1.00 0.00 C ATOM 399 CD1 PHE A 93 -14.634 27.007 2.529 1.00 0.00 C ATOM 400 CD2 PHE A 93 -13.183 27.945 0.826 1.00 0.00 C ATOM 401 CE1 PHE A 93 -14.303 28.060 3.389 1.00 0.00 C ATOM 402 CE2 PHE A 93 -12.852 28.997 1.686 1.00 0.00 C ATOM 403 CZ PHE A 93 -13.412 29.056 2.968 1.00 0.00 C ATOM 0 H PHE A 93 -12.430 23.843 -0.968 1.00 0.00 H new ATOM 0 HA PHE A 93 -13.338 24.601 1.717 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -14.233 26.103 -0.720 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -15.498 25.596 0.381 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -15.321 26.240 2.854 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -12.752 27.900 -0.163 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -14.735 28.105 4.378 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -12.164 29.764 1.361 1.00 0.00 H new ATOM 0 HZ PHE A 93 -13.157 29.869 3.632 1.00 0.00 H new ATOM 413 N PRO A 94 -15.015 23.036 -0.700 1.00 0.00 N ATOM 414 CA PRO A 94 -15.826 21.815 -0.980 1.00 0.00 C ATOM 415 C PRO A 94 -15.347 20.580 -0.207 1.00 0.00 C ATOM 416 O PRO A 94 -16.112 19.915 0.463 1.00 0.00 O ATOM 417 CB PRO A 94 -15.626 21.620 -2.485 1.00 0.00 C ATOM 418 CG PRO A 94 -15.460 23.007 -3.042 1.00 0.00 C ATOM 419 CD PRO A 94 -14.966 23.907 -1.888 1.00 0.00 C ATOM 0 HA PRO A 94 -16.865 21.936 -0.673 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -14.749 21.006 -2.690 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -16.481 21.115 -2.934 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -14.744 23.008 -3.864 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -16.405 23.377 -3.441 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -13.955 24.272 -2.073 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -15.603 24.783 -1.766 1.00 0.00 H new ATOM 427 N GLY A 95 -14.088 20.265 -0.305 1.00 0.00 N ATOM 428 CA GLY A 95 -13.555 19.072 0.412 1.00 0.00 C ATOM 429 C GLY A 95 -14.039 19.069 1.864 1.00 0.00 C ATOM 430 O GLY A 95 -14.404 18.044 2.405 1.00 0.00 O ATOM 0 H GLY A 95 -13.401 20.783 -0.852 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -13.881 18.161 -0.090 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -12.465 19.078 0.384 1.00 0.00 H new ATOM 434 N TRP A 96 -14.034 20.207 2.507 1.00 0.00 N ATOM 435 CA TRP A 96 -14.480 20.267 3.933 1.00 0.00 C ATOM 436 C TRP A 96 -16.002 20.428 4.011 1.00 0.00 C ATOM 437 O TRP A 96 -16.587 20.331 5.071 1.00 0.00 O ATOM 438 CB TRP A 96 -13.810 21.458 4.619 1.00 0.00 C ATOM 439 CG TRP A 96 -12.355 21.481 4.273 1.00 0.00 C ATOM 440 CD1 TRP A 96 -11.837 21.946 3.112 1.00 0.00 C ATOM 441 CD2 TRP A 96 -11.222 21.028 5.072 1.00 0.00 C ATOM 442 NE1 TRP A 96 -10.463 21.809 3.148 1.00 0.00 N ATOM 443 CE2 TRP A 96 -10.036 21.248 4.333 1.00 0.00 C ATOM 444 CE3 TRP A 96 -11.110 20.454 6.350 1.00 0.00 C ATOM 445 CZ2 TRP A 96 -8.784 20.912 4.843 1.00 0.00 C ATOM 446 CZ3 TRP A 96 -9.849 20.114 6.868 1.00 0.00 C ATOM 447 CH2 TRP A 96 -8.688 20.342 6.116 1.00 0.00 C ATOM 0 H TRP A 96 -13.741 21.098 2.107 1.00 0.00 H new ATOM 0 HA TRP A 96 -14.198 19.340 4.432 1.00 0.00 H new ATOM 0 HB2 TRP A 96 -14.284 22.387 4.303 1.00 0.00 H new ATOM 0 HB3 TRP A 96 -13.936 21.387 5.699 1.00 0.00 H new ATOM 0 HD1 TRP A 96 -12.406 22.357 2.291 1.00 0.00 H new ATOM 0 HE1 TRP A 96 -9.840 22.089 2.390 1.00 0.00 H new ATOM 0 HE3 TRP A 96 -11.998 20.273 6.937 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 -7.893 21.091 4.259 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 -9.774 19.674 7.852 1.00 0.00 H new ATOM 0 HH2 TRP A 96 -7.722 20.078 6.519 1.00 0.00 H new ATOM 458 N LYS A 97 -16.650 20.685 2.908 1.00 0.00 N ATOM 459 CA LYS A 97 -18.128 20.863 2.943 1.00 0.00 C ATOM 460 C LYS A 97 -18.818 19.513 3.161 1.00 0.00 C ATOM 461 O LYS A 97 -20.010 19.457 3.392 1.00 0.00 O ATOM 462 CB LYS A 97 -18.612 21.472 1.624 1.00 0.00 C ATOM 463 CG LYS A 97 -18.144 22.934 1.515 1.00 0.00 C ATOM 464 CD LYS A 97 -18.905 23.840 2.530 1.00 0.00 C ATOM 465 CE LYS A 97 -17.956 24.353 3.626 1.00 0.00 C ATOM 466 NZ LYS A 97 -18.757 24.810 4.798 1.00 0.00 N ATOM 0 H LYS A 97 -16.221 20.779 1.987 1.00 0.00 H new ATOM 0 HA LYS A 97 -18.379 21.532 3.766 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -18.226 20.895 0.784 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -19.700 21.425 1.570 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -17.072 22.992 1.703 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -18.310 23.298 0.501 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -19.352 24.685 2.006 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -19.721 23.278 2.984 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -17.269 23.562 3.927 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -17.350 25.174 3.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -18.118 25.158 5.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -19.396 25.576 4.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -19.317 24.015 5.167 1.00 0.00 H new ATOM 480 N ALA A 98 -18.083 18.426 3.092 1.00 0.00 N ATOM 481 CA ALA A 98 -18.689 17.079 3.294 1.00 0.00 C ATOM 482 C ALA A 98 -18.061 16.440 4.525 1.00 0.00 C ATOM 483 O ALA A 98 -18.600 15.522 5.110 1.00 0.00 O ATOM 484 CB ALA A 98 -18.392 16.207 2.075 1.00 0.00 C ATOM 0 H ALA A 98 -17.081 18.420 2.902 1.00 0.00 H new ATOM 0 HA ALA A 98 -19.767 17.171 3.427 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -18.833 15.220 2.217 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -18.817 16.670 1.184 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -17.313 16.108 1.952 1.00 0.00 H new ATOM 490 N TRP A 99 -16.911 16.910 4.907 1.00 0.00 N ATOM 491 CA TRP A 99 -16.226 16.324 6.084 1.00 0.00 C ATOM 492 C TRP A 99 -16.919 16.784 7.368 1.00 0.00 C ATOM 493 O TRP A 99 -16.818 16.151 8.399 1.00 0.00 O ATOM 494 CB TRP A 99 -14.761 16.774 6.106 1.00 0.00 C ATOM 495 CG TRP A 99 -14.092 16.468 4.795 1.00 0.00 C ATOM 496 CD1 TRP A 99 -14.647 15.799 3.751 1.00 0.00 C ATOM 497 CD2 TRP A 99 -12.739 16.813 4.378 1.00 0.00 C ATOM 498 NE1 TRP A 99 -13.722 15.724 2.727 1.00 0.00 N ATOM 499 CE2 TRP A 99 -12.532 16.330 3.065 1.00 0.00 C ATOM 500 CE3 TRP A 99 -11.681 17.494 5.008 1.00 0.00 C ATOM 501 CZ2 TRP A 99 -11.322 16.515 2.399 1.00 0.00 C ATOM 502 CZ3 TRP A 99 -10.459 17.681 4.340 1.00 0.00 C ATOM 503 CH2 TRP A 99 -10.280 17.191 3.039 1.00 0.00 C ATOM 0 H TRP A 99 -16.415 17.677 4.453 1.00 0.00 H new ATOM 0 HA TRP A 99 -16.271 15.237 6.018 1.00 0.00 H new ATOM 0 HB2 TRP A 99 -14.707 17.844 6.307 1.00 0.00 H new ATOM 0 HB3 TRP A 99 -14.233 16.271 6.916 1.00 0.00 H new ATOM 0 HD1 TRP A 99 -15.647 15.392 3.725 1.00 0.00 H new ATOM 0 HE1 TRP A 99 -13.899 15.274 1.829 1.00 0.00 H new ATOM 0 HE3 TRP A 99 -11.809 17.875 6.010 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 -11.191 16.139 1.395 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 -9.653 18.205 4.832 1.00 0.00 H new ATOM 0 HH2 TRP A 99 -9.338 17.336 2.532 1.00 0.00 H new ATOM 514 N VAL A 100 -17.621 17.882 7.315 1.00 0.00 N ATOM 515 CA VAL A 100 -18.316 18.381 8.530 1.00 0.00 C ATOM 516 C VAL A 100 -19.202 17.272 9.102 1.00 0.00 C ATOM 517 O VAL A 100 -19.459 16.317 8.388 1.00 0.00 O ATOM 518 CB VAL A 100 -19.176 19.588 8.158 1.00 0.00 C ATOM 519 CG1 VAL A 100 -18.280 20.807 7.935 1.00 0.00 C ATOM 520 CG2 VAL A 100 -19.954 19.285 6.874 1.00 0.00 C ATOM 521 OXT VAL A 100 -19.608 17.397 10.246 1.00 0.00 O ATOM 0 H VAL A 100 -17.742 18.455 6.480 1.00 0.00 H new ATOM 0 HA VAL A 100 -17.581 18.676 9.279 1.00 0.00 H new ATOM 0 HB VAL A 100 -19.876 19.796 8.967 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -18.895 21.667 7.670 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -17.727 21.024 8.849 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -17.578 20.600 7.127 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -20.568 20.146 6.609 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -19.254 19.075 6.065 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -20.595 18.418 7.033 1.00 0.00 H new TER 531 VAL A 100