USER MOD reduce.3.24.130724 H: found=0, std=0, add=735, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 737 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 5 ASN : amide:sc= -0.879 K(o=-0.88,f=-7.4!) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.326 USER MOD Single : A 13 TYR OH : rot -65:sc= 0.14 USER MOD Single : A 15 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 16 THR OG1 : rot 104:sc= 1.13 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 HIS :FLIP no HD1:sc= -2.27 F(o=-3.9,f=-2.3) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN :FLIP amide:sc= -0.901 F(o=-1.7,f=-0.9) USER MOD Single : A 24 TYR OH : rot -137:sc= 1.15 USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.895 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -0.882 K(o=-0.88,f=-3.4!) USER MOD Single : A 41 ASN :FLIP amide:sc= -1.35! C(o=-2.4!,f=-1.3!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 170:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 24:sc= 0.828 USER MOD Single : A 77 ASN : amide:sc= -0.805 K(o=-0.81,f=-3.2!) USER MOD Single : A 78 TYR OH : rot -52:sc= -1.87! USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= -0.0969 X(o=-0.097,f=-0.56) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 90 TYR OH : rot 75:sc= -7.41! USER MOD Single : A 91 SER OG : rot 110:sc= 1.35 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 97 TYR OH : rot 180:sc= -0.746 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 THR OG1 : rot -84:sc= -0.702 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 HIS : no HD1:sc= -0.198 X(o=-0.2,f=-0.57) USER MOD Single : A 103 TYR OH : rot -67:sc= -0.369 USER MOD Single : A 104 GLN : amide:sc= -0.0195 X(o=-0.019,f=-0.013) USER MOD Single : A 105 THR OG1 : rot 61:sc= 0.819 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 LYS NZ :NH3+ -154:sc= -0.0903 (180deg=-0.698) USER MOD ----------------------------------------------------------------- ATOM 46 N ILE A 4 3.488 11.355 2.675 1.00 0.00 N ATOM 47 CA ILE A 4 2.137 10.784 2.940 1.00 0.00 C ATOM 48 C ILE A 4 2.243 9.263 3.062 1.00 0.00 C ATOM 49 O ILE A 4 2.313 8.555 2.078 1.00 0.00 O ATOM 50 CB ILE A 4 1.198 11.139 1.785 1.00 0.00 C ATOM 51 CG1 ILE A 4 1.373 12.615 1.423 1.00 0.00 C ATOM 52 CG2 ILE A 4 -0.249 10.887 2.207 1.00 0.00 C ATOM 53 CD1 ILE A 4 1.630 12.747 -0.080 1.00 0.00 C ATOM 0 HA ILE A 4 1.743 11.197 3.868 1.00 0.00 H new ATOM 0 HB ILE A 4 1.436 10.520 0.920 1.00 0.00 H new ATOM 0 HG12 ILE A 4 0.481 13.176 1.700 1.00 0.00 H new ATOM 0 HG13 ILE A 4 2.205 13.041 1.983 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -0.917 11.140 1.384 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -0.375 9.836 2.466 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -0.489 11.505 3.072 1.00 0.00 H new ATOM 0 HD11 ILE A 4 1.755 13.799 -0.337 1.00 0.00 H new ATOM 0 HD12 ILE A 4 2.535 12.199 -0.344 1.00 0.00 H new ATOM 0 HD13 ILE A 4 0.784 12.337 -0.631 1.00 0.00 H new ATOM 65 N ASN A 5 2.257 8.754 4.264 1.00 0.00 N ATOM 66 CA ASN A 5 2.360 7.278 4.445 1.00 0.00 C ATOM 67 C ASN A 5 1.433 6.837 5.579 1.00 0.00 C ATOM 68 O ASN A 5 1.861 6.245 6.549 1.00 0.00 O ATOM 69 CB ASN A 5 3.803 6.907 4.793 1.00 0.00 C ATOM 70 CG ASN A 5 4.225 7.638 6.069 1.00 0.00 C ATOM 71 OD1 ASN A 5 3.512 8.492 6.557 1.00 0.00 O ATOM 72 ND2 ASN A 5 5.362 7.335 6.633 1.00 0.00 N ATOM 0 H ASN A 5 2.202 9.295 5.127 1.00 0.00 H new ATOM 0 HA ASN A 5 2.068 6.777 3.522 1.00 0.00 H new ATOM 0 HB2 ASN A 5 3.889 5.829 4.933 1.00 0.00 H new ATOM 0 HB3 ASN A 5 4.467 7.175 3.971 1.00 0.00 H new ATOM 0 HD21 ASN A 5 5.653 7.815 7.484 1.00 0.00 H new ATOM 0 HD22 ASN A 5 5.960 6.618 6.222 1.00 0.00 H new ATOM 79 N THR A 6 0.164 7.118 5.464 1.00 0.00 N ATOM 80 CA THR A 6 -0.789 6.713 6.536 1.00 0.00 C ATOM 81 C THR A 6 -2.109 6.275 5.901 1.00 0.00 C ATOM 82 O THR A 6 -2.250 6.247 4.695 1.00 0.00 O ATOM 83 CB THR A 6 -1.040 7.898 7.471 1.00 0.00 C ATOM 84 OG1 THR A 6 -1.598 8.974 6.730 1.00 0.00 O ATOM 85 CG2 THR A 6 0.281 8.341 8.103 1.00 0.00 C ATOM 0 H THR A 6 -0.254 7.610 4.675 1.00 0.00 H new ATOM 0 HA THR A 6 -0.366 5.886 7.106 1.00 0.00 H new ATOM 0 HB THR A 6 -1.734 7.600 8.257 1.00 0.00 H new ATOM 0 HG1 THR A 6 -1.761 9.733 7.328 1.00 0.00 H new ATOM 0 HG21 THR A 6 0.101 9.185 8.769 1.00 0.00 H new ATOM 0 HG22 THR A 6 0.707 7.515 8.672 1.00 0.00 H new ATOM 0 HG23 THR A 6 0.977 8.639 7.319 1.00 0.00 H new ATOM 93 N PHE A 7 -3.079 5.932 6.703 1.00 0.00 N ATOM 94 CA PHE A 7 -4.387 5.495 6.142 1.00 0.00 C ATOM 95 C PHE A 7 -5.160 6.716 5.639 1.00 0.00 C ATOM 96 O PHE A 7 -5.538 6.792 4.488 1.00 0.00 O ATOM 97 CB PHE A 7 -5.201 4.789 7.230 1.00 0.00 C ATOM 98 CG PHE A 7 -4.549 3.472 7.572 1.00 0.00 C ATOM 99 CD1 PHE A 7 -4.277 2.541 6.564 1.00 0.00 C ATOM 100 CD2 PHE A 7 -4.221 3.184 8.900 1.00 0.00 C ATOM 101 CE1 PHE A 7 -3.674 1.319 6.885 1.00 0.00 C ATOM 102 CE2 PHE A 7 -3.618 1.962 9.222 1.00 0.00 C ATOM 103 CZ PHE A 7 -3.345 1.029 8.214 1.00 0.00 C ATOM 0 H PHE A 7 -3.022 5.936 7.721 1.00 0.00 H new ATOM 0 HA PHE A 7 -4.214 4.807 5.314 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -5.263 5.418 8.118 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -6.222 4.623 6.885 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -4.532 2.765 5.539 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -4.433 3.904 9.677 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -3.463 0.600 6.107 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -3.363 1.739 10.248 1.00 0.00 H new ATOM 0 HZ PHE A 7 -2.881 0.086 8.462 1.00 0.00 H new ATOM 113 N ASP A 8 -5.402 7.670 6.496 1.00 0.00 N ATOM 114 CA ASP A 8 -6.154 8.885 6.070 1.00 0.00 C ATOM 115 C ASP A 8 -5.283 9.740 5.143 1.00 0.00 C ATOM 116 O ASP A 8 -5.764 10.334 4.197 1.00 0.00 O ATOM 117 CB ASP A 8 -6.539 9.703 7.304 1.00 0.00 C ATOM 118 CG ASP A 8 -8.003 9.439 7.657 1.00 0.00 C ATOM 119 OD1 ASP A 8 -8.416 8.295 7.566 1.00 0.00 O ATOM 120 OD2 ASP A 8 -8.686 10.385 8.013 1.00 0.00 O ATOM 0 H ASP A 8 -5.111 7.661 7.474 1.00 0.00 H new ATOM 0 HA ASP A 8 -7.054 8.581 5.536 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -5.898 9.436 8.144 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -6.387 10.765 7.111 1.00 0.00 H new ATOM 125 N GLY A 9 -4.007 9.816 5.410 1.00 0.00 N ATOM 126 CA GLY A 9 -3.112 10.640 4.548 1.00 0.00 C ATOM 127 C GLY A 9 -3.060 10.040 3.146 1.00 0.00 C ATOM 128 O GLY A 9 -3.257 10.722 2.158 1.00 0.00 O ATOM 0 H GLY A 9 -3.546 9.343 6.187 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -3.477 11.666 4.502 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -2.110 10.677 4.976 1.00 0.00 H new ATOM 132 N VAL A 10 -2.798 8.768 3.049 1.00 0.00 N ATOM 133 CA VAL A 10 -2.736 8.126 1.707 1.00 0.00 C ATOM 134 C VAL A 10 -4.116 8.196 1.057 1.00 0.00 C ATOM 135 O VAL A 10 -4.244 8.456 -0.123 1.00 0.00 O ATOM 136 CB VAL A 10 -2.307 6.665 1.856 1.00 0.00 C ATOM 137 CG1 VAL A 10 -2.366 5.972 0.493 1.00 0.00 C ATOM 138 CG2 VAL A 10 -0.875 6.609 2.392 1.00 0.00 C ATOM 0 H VAL A 10 -2.624 8.146 3.838 1.00 0.00 H new ATOM 0 HA VAL A 10 -2.011 8.647 1.082 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.978 6.159 2.550 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.060 4.931 0.600 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -3.385 6.013 0.108 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -1.695 6.477 -0.202 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.567 5.569 2.499 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -0.206 7.116 1.696 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.830 7.102 3.363 1.00 0.00 H new ATOM 148 N ALA A 11 -5.153 7.979 1.818 1.00 0.00 N ATOM 149 CA ALA A 11 -6.521 8.051 1.240 1.00 0.00 C ATOM 150 C ALA A 11 -6.727 9.449 0.660 1.00 0.00 C ATOM 151 O ALA A 11 -7.355 9.623 -0.365 1.00 0.00 O ATOM 152 CB ALA A 11 -7.556 7.791 2.337 1.00 0.00 C ATOM 0 H ALA A 11 -5.111 7.756 2.812 1.00 0.00 H new ATOM 0 HA ALA A 11 -6.638 7.300 0.458 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -8.558 7.844 1.912 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -7.394 6.801 2.762 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -7.454 8.543 3.119 1.00 0.00 H new ATOM 158 N ASP A 12 -6.189 10.446 1.308 1.00 0.00 N ATOM 159 CA ASP A 12 -6.336 11.836 0.797 1.00 0.00 C ATOM 160 C ASP A 12 -5.582 11.963 -0.527 1.00 0.00 C ATOM 161 O ASP A 12 -6.139 12.346 -1.537 1.00 0.00 O ATOM 162 CB ASP A 12 -5.744 12.815 1.811 1.00 0.00 C ATOM 163 CG ASP A 12 -6.874 13.544 2.539 1.00 0.00 C ATOM 164 OD1 ASP A 12 -7.677 14.171 1.867 1.00 0.00 O ATOM 165 OD2 ASP A 12 -6.918 13.463 3.755 1.00 0.00 O ATOM 0 H ASP A 12 -5.653 10.356 2.171 1.00 0.00 H new ATOM 0 HA ASP A 12 -7.391 12.063 0.645 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -5.121 12.280 2.528 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -5.100 13.534 1.305 1.00 0.00 H new ATOM 170 N TYR A 13 -4.317 11.641 -0.529 1.00 0.00 N ATOM 171 CA TYR A 13 -3.528 11.742 -1.789 1.00 0.00 C ATOM 172 C TYR A 13 -4.147 10.825 -2.846 1.00 0.00 C ATOM 173 O TYR A 13 -3.920 10.981 -4.030 1.00 0.00 O ATOM 174 CB TYR A 13 -2.084 11.312 -1.523 1.00 0.00 C ATOM 175 CG TYR A 13 -1.215 11.720 -2.688 1.00 0.00 C ATOM 176 CD1 TYR A 13 -0.795 13.050 -2.815 1.00 0.00 C ATOM 177 CD2 TYR A 13 -0.830 10.769 -3.641 1.00 0.00 C ATOM 178 CE1 TYR A 13 0.011 13.428 -3.896 1.00 0.00 C ATOM 179 CE2 TYR A 13 -0.024 11.148 -4.721 1.00 0.00 C ATOM 180 CZ TYR A 13 0.396 12.478 -4.849 1.00 0.00 C ATOM 181 OH TYR A 13 1.190 12.850 -5.914 1.00 0.00 O ATOM 0 H TYR A 13 -3.797 11.313 0.285 1.00 0.00 H new ATOM 0 HA TYR A 13 -3.539 12.772 -2.146 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -1.719 11.772 -0.605 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -2.035 10.233 -1.380 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -1.092 13.783 -2.080 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -1.155 9.744 -3.543 1.00 0.00 H new ATOM 0 HE1 TYR A 13 0.336 14.453 -3.994 1.00 0.00 H new ATOM 0 HE2 TYR A 13 0.274 10.415 -5.456 1.00 0.00 H new ATOM 0 HH TYR A 13 0.698 13.475 -6.486 1.00 0.00 H new ATOM 191 N LEU A 14 -4.928 9.868 -2.424 1.00 0.00 N ATOM 192 CA LEU A 14 -5.565 8.937 -3.396 1.00 0.00 C ATOM 193 C LEU A 14 -6.742 9.639 -4.080 1.00 0.00 C ATOM 194 O LEU A 14 -6.739 9.847 -5.274 1.00 0.00 O ATOM 195 CB LEU A 14 -6.066 7.696 -2.653 1.00 0.00 C ATOM 196 CG LEU A 14 -5.019 6.582 -2.748 1.00 0.00 C ATOM 197 CD1 LEU A 14 -5.069 5.726 -1.480 1.00 0.00 C ATOM 198 CD2 LEU A 14 -5.319 5.701 -3.963 1.00 0.00 C ATOM 0 H LEU A 14 -5.152 9.691 -1.445 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.837 8.639 -4.150 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -6.259 7.939 -1.608 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -7.010 7.359 -3.082 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.028 7.025 -2.853 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.324 4.933 -1.547 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -4.858 6.350 -0.611 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -6.060 5.285 -1.378 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.574 4.908 -4.031 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -6.310 5.259 -3.857 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.287 6.307 -4.869 1.00 0.00 H new ATOM 210 N GLN A 15 -7.747 10.007 -3.336 1.00 0.00 N ATOM 211 CA GLN A 15 -8.914 10.697 -3.957 1.00 0.00 C ATOM 212 C GLN A 15 -8.504 12.108 -4.388 1.00 0.00 C ATOM 213 O GLN A 15 -9.246 12.804 -5.052 1.00 0.00 O ATOM 214 CB GLN A 15 -10.054 10.787 -2.939 1.00 0.00 C ATOM 215 CG GLN A 15 -9.693 11.808 -1.859 1.00 0.00 C ATOM 216 CD GLN A 15 -10.874 11.979 -0.902 1.00 0.00 C ATOM 217 OE1 GLN A 15 -11.990 11.625 -1.227 1.00 0.00 O ATOM 218 NE2 GLN A 15 -10.674 12.510 0.273 1.00 0.00 N ATOM 0 H GLN A 15 -7.812 9.861 -2.329 1.00 0.00 H new ATOM 0 HA GLN A 15 -9.247 10.133 -4.828 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -10.978 11.080 -3.437 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -10.231 9.811 -2.487 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -8.812 11.476 -1.310 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -9.441 12.764 -2.317 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -9.737 12.807 0.546 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -11.455 12.628 0.919 1.00 0.00 H new ATOM 227 N THR A 16 -7.330 12.538 -4.011 1.00 0.00 N ATOM 228 CA THR A 16 -6.879 13.907 -4.396 1.00 0.00 C ATOM 229 C THR A 16 -6.071 13.840 -5.686 1.00 0.00 C ATOM 230 O THR A 16 -6.438 14.404 -6.698 1.00 0.00 O ATOM 231 CB THR A 16 -6.007 14.490 -3.282 1.00 0.00 C ATOM 232 OG1 THR A 16 -6.790 14.652 -2.107 1.00 0.00 O ATOM 233 CG2 THR A 16 -5.456 15.846 -3.721 1.00 0.00 C ATOM 0 H THR A 16 -6.665 12.002 -3.454 1.00 0.00 H new ATOM 0 HA THR A 16 -7.752 14.542 -4.549 1.00 0.00 H new ATOM 0 HB THR A 16 -5.178 13.813 -3.076 1.00 0.00 H new ATOM 0 HG1 THR A 16 -6.573 13.940 -1.469 1.00 0.00 H new ATOM 0 HG21 THR A 16 -4.835 16.261 -2.927 1.00 0.00 H new ATOM 0 HG22 THR A 16 -4.856 15.720 -4.623 1.00 0.00 H new ATOM 0 HG23 THR A 16 -6.283 16.525 -3.927 1.00 0.00 H new ATOM 241 N TYR A 17 -4.975 13.155 -5.650 1.00 0.00 N ATOM 242 CA TYR A 17 -4.120 13.037 -6.864 1.00 0.00 C ATOM 243 C TYR A 17 -4.560 11.822 -7.685 1.00 0.00 C ATOM 244 O TYR A 17 -3.983 11.505 -8.705 1.00 0.00 O ATOM 245 CB TYR A 17 -2.660 12.865 -6.438 1.00 0.00 C ATOM 246 CG TYR A 17 -2.056 14.220 -6.158 1.00 0.00 C ATOM 247 CD1 TYR A 17 -2.221 14.813 -4.901 1.00 0.00 C ATOM 248 CD2 TYR A 17 -1.329 14.882 -7.155 1.00 0.00 C ATOM 249 CE1 TYR A 17 -1.660 16.070 -4.642 1.00 0.00 C ATOM 250 CE2 TYR A 17 -0.769 16.138 -6.896 1.00 0.00 C ATOM 251 CZ TYR A 17 -0.935 16.732 -5.638 1.00 0.00 C ATOM 252 OH TYR A 17 -0.382 17.970 -5.382 1.00 0.00 O ATOM 0 H TYR A 17 -4.625 12.664 -4.827 1.00 0.00 H new ATOM 0 HA TYR A 17 -4.221 13.937 -7.470 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -2.601 12.237 -5.549 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -2.098 12.359 -7.223 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -2.780 14.302 -4.131 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -1.200 14.423 -8.124 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -1.787 16.528 -3.672 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -0.209 16.649 -7.665 1.00 0.00 H new ATOM 0 HH TYR A 17 0.089 18.289 -6.180 1.00 0.00 H new ATOM 262 N HIS A 18 -5.583 11.141 -7.245 1.00 0.00 N ATOM 263 CA HIS A 18 -6.070 9.948 -7.991 1.00 0.00 C ATOM 264 C HIS A 18 -4.879 9.106 -8.449 1.00 0.00 C ATOM 265 O HIS A 18 -4.803 8.681 -9.584 1.00 0.00 O ATOM 266 CB HIS A 18 -6.885 10.404 -9.201 1.00 0.00 C ATOM 267 CG HIS A 18 -8.211 10.931 -8.725 1.00 0.00 C ATOM 268 ND1 HIS A 18 -8.599 11.481 -7.528 1.00 0.00 N flip ATOM 269 CD2 HIS A 18 -9.344 10.918 -9.521 1.00 0.00 C flip ATOM 270 CE1 HIS A 18 -9.950 11.805 -7.577 1.00 0.00 C flip ATOM 271 NE2 HIS A 18 -10.352 11.444 -8.798 1.00 0.00 N flip ATOM 0 H HIS A 18 -6.104 11.362 -6.396 1.00 0.00 H new ATOM 0 HA HIS A 18 -6.702 9.343 -7.340 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -6.346 11.178 -9.748 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -7.035 9.572 -9.889 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -9.408 10.553 -10.535 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -10.546 12.252 -6.796 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -11.306 11.553 -9.142 1.00 0.00 H new ATOM 279 N LYS A 19 -3.953 8.857 -7.565 1.00 0.00 N ATOM 280 CA LYS A 19 -2.766 8.035 -7.931 1.00 0.00 C ATOM 281 C LYS A 19 -1.824 7.952 -6.730 1.00 0.00 C ATOM 282 O LYS A 19 -1.478 8.950 -6.130 1.00 0.00 O ATOM 283 CB LYS A 19 -2.033 8.677 -9.112 1.00 0.00 C ATOM 284 CG LYS A 19 -1.362 9.976 -8.659 1.00 0.00 C ATOM 285 CD LYS A 19 -0.644 10.620 -9.846 1.00 0.00 C ATOM 286 CE LYS A 19 -0.783 12.141 -9.766 1.00 0.00 C ATOM 287 NZ LYS A 19 0.515 12.779 -10.126 1.00 0.00 N ATOM 0 H LYS A 19 -3.968 9.189 -6.601 1.00 0.00 H new ATOM 0 HA LYS A 19 -3.091 7.034 -8.215 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -1.285 7.989 -9.506 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -2.735 8.882 -9.920 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -2.107 10.661 -8.256 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -0.651 9.771 -7.858 1.00 0.00 H new ATOM 0 HD2 LYS A 19 0.409 10.340 -9.842 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -1.067 10.255 -10.782 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -1.567 12.481 -10.442 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -1.079 12.437 -8.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 0.420 13.813 -10.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 1.252 12.463 -9.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 0.779 12.506 -11.094 1.00 0.00 H new ATOM 301 N LEU A 20 -1.407 6.769 -6.374 1.00 0.00 N ATOM 302 CA LEU A 20 -0.487 6.625 -5.211 1.00 0.00 C ATOM 303 C LEU A 20 0.608 7.692 -5.301 1.00 0.00 C ATOM 304 O LEU A 20 0.849 8.236 -6.361 1.00 0.00 O ATOM 305 CB LEU A 20 0.157 5.235 -5.239 1.00 0.00 C ATOM 306 CG LEU A 20 -0.856 4.185 -4.781 1.00 0.00 C ATOM 307 CD1 LEU A 20 -0.148 2.841 -4.602 1.00 0.00 C ATOM 308 CD2 LEU A 20 -1.474 4.616 -3.448 1.00 0.00 C ATOM 0 H LEU A 20 -1.663 5.897 -6.837 1.00 0.00 H new ATOM 0 HA LEU A 20 -1.047 6.748 -4.284 1.00 0.00 H new ATOM 0 HB2 LEU A 20 0.503 5.005 -6.247 1.00 0.00 H new ATOM 0 HB3 LEU A 20 1.032 5.217 -4.590 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.642 4.088 -5.530 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.868 2.091 -4.275 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.292 2.533 -5.550 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.637 2.940 -3.853 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.196 3.867 -3.123 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.689 4.714 -2.698 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.977 5.575 -3.573 1.00 0.00 H new ATOM 320 N PRO A 21 1.244 7.953 -4.190 1.00 0.00 N ATOM 321 CA PRO A 21 2.327 8.950 -4.125 1.00 0.00 C ATOM 322 C PRO A 21 3.390 8.650 -5.180 1.00 0.00 C ATOM 323 O PRO A 21 3.510 7.539 -5.659 1.00 0.00 O ATOM 324 CB PRO A 21 2.912 8.797 -2.717 1.00 0.00 C ATOM 325 CG PRO A 21 1.993 7.828 -1.929 1.00 0.00 C ATOM 326 CD PRO A 21 0.943 7.281 -2.912 1.00 0.00 C ATOM 0 HA PRO A 21 1.970 9.962 -4.316 1.00 0.00 H new ATOM 0 HB2 PRO A 21 3.928 8.406 -2.765 1.00 0.00 H new ATOM 0 HB3 PRO A 21 2.966 9.764 -2.218 1.00 0.00 H new ATOM 0 HG2 PRO A 21 2.575 7.013 -1.498 1.00 0.00 H new ATOM 0 HG3 PRO A 21 1.509 8.347 -1.101 1.00 0.00 H new ATOM 0 HD2 PRO A 21 1.016 6.198 -3.007 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -0.069 7.504 -2.575 1.00 0.00 H new ATOM 334 N ASP A 22 4.170 9.630 -5.540 1.00 0.00 N ATOM 335 CA ASP A 22 5.232 9.396 -6.555 1.00 0.00 C ATOM 336 C ASP A 22 6.351 8.563 -5.928 1.00 0.00 C ATOM 337 O ASP A 22 7.299 8.185 -6.586 1.00 0.00 O ATOM 338 CB ASP A 22 5.795 10.738 -7.028 1.00 0.00 C ATOM 339 CG ASP A 22 6.593 11.386 -5.895 1.00 0.00 C ATOM 340 OD1 ASP A 22 6.384 11.005 -4.756 1.00 0.00 O ATOM 341 OD2 ASP A 22 7.400 12.254 -6.187 1.00 0.00 O ATOM 0 H ASP A 22 4.118 10.581 -5.176 1.00 0.00 H new ATOM 0 HA ASP A 22 4.812 8.863 -7.408 1.00 0.00 H new ATOM 0 HB2 ASP A 22 6.434 10.590 -7.898 1.00 0.00 H new ATOM 0 HB3 ASP A 22 4.983 11.396 -7.337 1.00 0.00 H new ATOM 346 N ASN A 23 6.249 8.273 -4.657 1.00 0.00 N ATOM 347 CA ASN A 23 7.309 7.463 -3.994 1.00 0.00 C ATOM 348 C ASN A 23 6.776 6.058 -3.704 1.00 0.00 C ATOM 349 O ASN A 23 7.416 5.266 -3.043 1.00 0.00 O ATOM 350 CB ASN A 23 7.717 8.135 -2.681 1.00 0.00 C ATOM 351 CG ASN A 23 6.493 8.794 -2.042 1.00 0.00 C ATOM 352 OD1 ASN A 23 5.711 8.086 -1.274 1.00 0.00 O flip ATOM 353 ND2 ASN A 23 6.246 9.966 -2.244 1.00 0.00 N flip ATOM 0 H ASN A 23 5.480 8.562 -4.053 1.00 0.00 H new ATOM 0 HA ASN A 23 8.175 7.392 -4.652 1.00 0.00 H new ATOM 0 HB2 ASN A 23 8.143 7.398 -2.000 1.00 0.00 H new ATOM 0 HB3 ASN A 23 8.489 8.881 -2.867 1.00 0.00 H new ATOM 0 HD21 ASN A 23 6.857 10.520 -2.844 1.00 0.00 H new ATOM 0 HD22 ASN A 23 5.428 10.396 -1.813 1.00 0.00 H new ATOM 360 N TYR A 24 5.609 5.742 -4.195 1.00 0.00 N ATOM 361 CA TYR A 24 5.039 4.387 -3.944 1.00 0.00 C ATOM 362 C TYR A 24 5.436 3.444 -5.080 1.00 0.00 C ATOM 363 O TYR A 24 4.644 3.137 -5.949 1.00 0.00 O ATOM 364 CB TYR A 24 3.514 4.477 -3.872 1.00 0.00 C ATOM 365 CG TYR A 24 3.073 4.559 -2.428 1.00 0.00 C ATOM 366 CD1 TYR A 24 3.967 4.986 -1.438 1.00 0.00 C ATOM 367 CD2 TYR A 24 1.763 4.208 -2.082 1.00 0.00 C ATOM 368 CE1 TYR A 24 3.551 5.060 -0.103 1.00 0.00 C ATOM 369 CE2 TYR A 24 1.347 4.284 -0.748 1.00 0.00 C ATOM 370 CZ TYR A 24 2.241 4.710 0.242 1.00 0.00 C ATOM 371 OH TYR A 24 1.830 4.784 1.557 1.00 0.00 O ATOM 0 H TYR A 24 5.026 6.362 -4.758 1.00 0.00 H new ATOM 0 HA TYR A 24 5.427 4.004 -3.000 1.00 0.00 H new ATOM 0 HB2 TYR A 24 3.166 5.354 -4.418 1.00 0.00 H new ATOM 0 HB3 TYR A 24 3.066 3.605 -4.350 1.00 0.00 H new ATOM 0 HD1 TYR A 24 4.978 5.258 -1.704 1.00 0.00 H new ATOM 0 HD2 TYR A 24 1.073 3.878 -2.845 1.00 0.00 H new ATOM 0 HE1 TYR A 24 4.241 5.387 0.660 1.00 0.00 H new ATOM 0 HE2 TYR A 24 0.336 4.014 -0.482 1.00 0.00 H new ATOM 0 HH TYR A 24 1.295 3.993 1.778 1.00 0.00 H new ATOM 381 N ILE A 25 6.652 2.976 -5.077 1.00 0.00 N ATOM 382 CA ILE A 25 7.091 2.047 -6.154 1.00 0.00 C ATOM 383 C ILE A 25 6.793 0.610 -5.725 1.00 0.00 C ATOM 384 O ILE A 25 7.145 0.194 -4.640 1.00 0.00 O ATOM 385 CB ILE A 25 8.594 2.212 -6.390 1.00 0.00 C ATOM 386 CG1 ILE A 25 9.334 2.122 -5.054 1.00 0.00 C ATOM 387 CG2 ILE A 25 8.863 3.574 -7.031 1.00 0.00 C ATOM 388 CD1 ILE A 25 10.609 1.295 -5.231 1.00 0.00 C ATOM 0 H ILE A 25 7.360 3.196 -4.377 1.00 0.00 H new ATOM 0 HA ILE A 25 6.556 2.273 -7.077 1.00 0.00 H new ATOM 0 HB ILE A 25 8.946 1.422 -7.054 1.00 0.00 H new ATOM 0 HG12 ILE A 25 9.583 3.121 -4.696 1.00 0.00 H new ATOM 0 HG13 ILE A 25 8.693 1.664 -4.301 1.00 0.00 H new ATOM 0 HG21 ILE A 25 9.933 3.692 -7.199 1.00 0.00 H new ATOM 0 HG22 ILE A 25 8.337 3.638 -7.983 1.00 0.00 H new ATOM 0 HG23 ILE A 25 8.511 4.364 -6.368 1.00 0.00 H new ATOM 0 HD11 ILE A 25 11.136 1.231 -4.279 1.00 0.00 H new ATOM 0 HD12 ILE A 25 10.348 0.292 -5.570 1.00 0.00 H new ATOM 0 HD13 ILE A 25 11.252 1.772 -5.971 1.00 0.00 H new ATOM 400 N THR A 26 6.141 -0.149 -6.563 1.00 0.00 N ATOM 401 CA THR A 26 5.819 -1.556 -6.195 1.00 0.00 C ATOM 402 C THR A 26 7.047 -2.210 -5.560 1.00 0.00 C ATOM 403 O THR A 26 8.134 -1.670 -5.589 1.00 0.00 O ATOM 404 CB THR A 26 5.416 -2.336 -7.446 1.00 0.00 C ATOM 405 OG1 THR A 26 6.559 -2.542 -8.263 1.00 0.00 O ATOM 406 CG2 THR A 26 4.363 -1.547 -8.226 1.00 0.00 C ATOM 0 H THR A 26 5.818 0.144 -7.485 1.00 0.00 H new ATOM 0 HA THR A 26 4.993 -1.563 -5.484 1.00 0.00 H new ATOM 0 HB THR A 26 5.000 -3.300 -7.154 1.00 0.00 H new ATOM 0 HG1 THR A 26 6.302 -3.044 -9.065 1.00 0.00 H new ATOM 0 HG21 THR A 26 4.077 -2.105 -9.118 1.00 0.00 H new ATOM 0 HG22 THR A 26 3.486 -1.392 -7.598 1.00 0.00 H new ATOM 0 HG23 THR A 26 4.775 -0.581 -8.519 1.00 0.00 H new ATOM 414 N LYS A 27 6.887 -3.373 -4.989 1.00 0.00 N ATOM 415 CA LYS A 27 8.060 -4.046 -4.357 1.00 0.00 C ATOM 416 C LYS A 27 9.049 -4.455 -5.447 1.00 0.00 C ATOM 417 O LYS A 27 10.235 -4.213 -5.344 1.00 0.00 O ATOM 418 CB LYS A 27 7.634 -5.292 -3.565 1.00 0.00 C ATOM 419 CG LYS A 27 6.127 -5.270 -3.283 1.00 0.00 C ATOM 420 CD LYS A 27 5.785 -6.349 -2.254 1.00 0.00 C ATOM 421 CE LYS A 27 5.331 -5.686 -0.952 1.00 0.00 C ATOM 422 NZ LYS A 27 3.895 -5.304 -1.063 1.00 0.00 N ATOM 0 H LYS A 27 6.005 -3.883 -4.932 1.00 0.00 H new ATOM 0 HA LYS A 27 8.524 -3.345 -3.663 1.00 0.00 H new ATOM 0 HB2 LYS A 27 7.890 -6.190 -4.127 1.00 0.00 H new ATOM 0 HB3 LYS A 27 8.184 -5.336 -2.625 1.00 0.00 H new ATOM 0 HG2 LYS A 27 5.830 -4.290 -2.910 1.00 0.00 H new ATOM 0 HG3 LYS A 27 5.571 -5.442 -4.205 1.00 0.00 H new ATOM 0 HD2 LYS A 27 4.997 -6.997 -2.639 1.00 0.00 H new ATOM 0 HD3 LYS A 27 6.655 -6.980 -2.070 1.00 0.00 H new ATOM 0 HE2 LYS A 27 5.473 -6.369 -0.115 1.00 0.00 H new ATOM 0 HE3 LYS A 27 5.938 -4.804 -0.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 3.586 -4.853 -0.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 3.773 -4.637 -1.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 3.322 -6.154 -1.237 1.00 0.00 H new ATOM 436 N SER A 28 8.573 -5.063 -6.500 1.00 0.00 N ATOM 437 CA SER A 28 9.496 -5.468 -7.594 1.00 0.00 C ATOM 438 C SER A 28 10.289 -4.239 -8.033 1.00 0.00 C ATOM 439 O SER A 28 11.463 -4.314 -8.343 1.00 0.00 O ATOM 440 CB SER A 28 8.691 -6.011 -8.775 1.00 0.00 C ATOM 441 OG SER A 28 7.813 -7.030 -8.316 1.00 0.00 O ATOM 0 H SER A 28 7.591 -5.295 -6.648 1.00 0.00 H new ATOM 0 HA SER A 28 10.173 -6.247 -7.244 1.00 0.00 H new ATOM 0 HB2 SER A 28 8.121 -5.207 -9.242 1.00 0.00 H new ATOM 0 HB3 SER A 28 9.363 -6.409 -9.535 1.00 0.00 H new ATOM 0 HG SER A 28 7.294 -7.379 -9.071 1.00 0.00 H new ATOM 447 N GLU A 29 9.652 -3.101 -8.046 1.00 0.00 N ATOM 448 CA GLU A 29 10.360 -1.859 -8.447 1.00 0.00 C ATOM 449 C GLU A 29 11.542 -1.646 -7.506 1.00 0.00 C ATOM 450 O GLU A 29 12.622 -1.282 -7.924 1.00 0.00 O ATOM 451 CB GLU A 29 9.405 -0.667 -8.355 1.00 0.00 C ATOM 452 CG GLU A 29 8.509 -0.633 -9.594 1.00 0.00 C ATOM 453 CD GLU A 29 8.650 0.721 -10.291 1.00 0.00 C ATOM 454 OE1 GLU A 29 9.514 0.839 -11.144 1.00 0.00 O ATOM 455 OE2 GLU A 29 7.891 1.617 -9.961 1.00 0.00 O ATOM 0 H GLU A 29 8.671 -2.980 -7.796 1.00 0.00 H new ATOM 0 HA GLU A 29 10.714 -1.948 -9.474 1.00 0.00 H new ATOM 0 HB2 GLU A 29 8.796 -0.745 -7.455 1.00 0.00 H new ATOM 0 HB3 GLU A 29 9.971 0.261 -8.277 1.00 0.00 H new ATOM 0 HG2 GLU A 29 8.785 -1.436 -10.277 1.00 0.00 H new ATOM 0 HG3 GLU A 29 7.470 -0.800 -9.309 1.00 0.00 H new ATOM 462 N ALA A 30 11.357 -1.890 -6.236 1.00 0.00 N ATOM 463 CA ALA A 30 12.488 -1.715 -5.286 1.00 0.00 C ATOM 464 C ALA A 30 13.544 -2.772 -5.603 1.00 0.00 C ATOM 465 O ALA A 30 14.730 -2.531 -5.503 1.00 0.00 O ATOM 466 CB ALA A 30 11.993 -1.885 -3.848 1.00 0.00 C ATOM 0 H ALA A 30 10.479 -2.200 -5.820 1.00 0.00 H new ATOM 0 HA ALA A 30 12.914 -0.717 -5.387 1.00 0.00 H new ATOM 0 HB1 ALA A 30 12.827 -1.755 -3.158 1.00 0.00 H new ATOM 0 HB2 ALA A 30 11.228 -1.138 -3.636 1.00 0.00 H new ATOM 0 HB3 ALA A 30 11.571 -2.882 -3.724 1.00 0.00 H new ATOM 472 N GLN A 31 13.118 -3.942 -5.999 1.00 0.00 N ATOM 473 CA GLN A 31 14.092 -5.013 -6.342 1.00 0.00 C ATOM 474 C GLN A 31 14.936 -4.546 -7.526 1.00 0.00 C ATOM 475 O GLN A 31 16.104 -4.863 -7.634 1.00 0.00 O ATOM 476 CB GLN A 31 13.341 -6.290 -6.725 1.00 0.00 C ATOM 477 CG GLN A 31 13.086 -7.132 -5.473 1.00 0.00 C ATOM 478 CD GLN A 31 13.997 -8.361 -5.487 1.00 0.00 C ATOM 479 OE1 GLN A 31 14.927 -8.433 -6.265 1.00 0.00 O ATOM 480 NE2 GLN A 31 13.768 -9.337 -4.652 1.00 0.00 N ATOM 0 H GLN A 31 12.136 -4.200 -6.099 1.00 0.00 H new ATOM 0 HA GLN A 31 14.732 -5.219 -5.484 1.00 0.00 H new ATOM 0 HB2 GLN A 31 12.395 -6.038 -7.204 1.00 0.00 H new ATOM 0 HB3 GLN A 31 13.922 -6.862 -7.448 1.00 0.00 H new ATOM 0 HG2 GLN A 31 13.273 -6.538 -4.579 1.00 0.00 H new ATOM 0 HG3 GLN A 31 12.041 -7.441 -5.437 1.00 0.00 H new ATOM 0 HE21 GLN A 31 12.987 -9.277 -3.999 1.00 0.00 H new ATOM 0 HE22 GLN A 31 14.370 -10.160 -4.653 1.00 0.00 H new ATOM 489 N ALA A 32 14.350 -3.794 -8.418 1.00 0.00 N ATOM 490 CA ALA A 32 15.112 -3.304 -9.595 1.00 0.00 C ATOM 491 C ALA A 32 16.259 -2.412 -9.129 1.00 0.00 C ATOM 492 O ALA A 32 17.336 -2.412 -9.692 1.00 0.00 O ATOM 493 CB ALA A 32 14.182 -2.506 -10.511 1.00 0.00 C ATOM 0 H ALA A 32 13.374 -3.499 -8.380 1.00 0.00 H new ATOM 0 HA ALA A 32 15.517 -4.155 -10.142 1.00 0.00 H new ATOM 0 HB1 ALA A 32 14.742 -2.147 -11.374 1.00 0.00 H new ATOM 0 HB2 ALA A 32 13.366 -3.146 -10.848 1.00 0.00 H new ATOM 0 HB3 ALA A 32 13.774 -1.656 -9.964 1.00 0.00 H new ATOM 499 N LEU A 33 16.023 -1.648 -8.110 1.00 0.00 N ATOM 500 CA LEU A 33 17.078 -0.734 -7.587 1.00 0.00 C ATOM 501 C LEU A 33 18.048 -1.504 -6.688 1.00 0.00 C ATOM 502 O LEU A 33 19.044 -0.975 -6.238 1.00 0.00 O ATOM 503 CB LEU A 33 16.412 0.384 -6.799 1.00 0.00 C ATOM 504 CG LEU A 33 15.707 1.311 -7.784 1.00 0.00 C ATOM 505 CD1 LEU A 33 14.204 1.033 -7.762 1.00 0.00 C ATOM 506 CD2 LEU A 33 15.977 2.759 -7.392 1.00 0.00 C ATOM 0 H LEU A 33 15.136 -1.613 -7.607 1.00 0.00 H new ATOM 0 HA LEU A 33 17.642 -0.313 -8.419 1.00 0.00 H new ATOM 0 HB2 LEU A 33 15.697 -0.028 -6.087 1.00 0.00 H new ATOM 0 HB3 LEU A 33 17.154 0.936 -6.223 1.00 0.00 H new ATOM 0 HG LEU A 33 16.085 1.135 -8.791 1.00 0.00 H new ATOM 0 HD11 LEU A 33 13.701 1.696 -8.466 1.00 0.00 H new ATOM 0 HD12 LEU A 33 14.022 -0.004 -8.046 1.00 0.00 H new ATOM 0 HD13 LEU A 33 13.816 1.208 -6.758 1.00 0.00 H new ATOM 0 HD21 LEU A 33 15.475 3.425 -8.093 1.00 0.00 H new ATOM 0 HD22 LEU A 33 15.599 2.940 -6.386 1.00 0.00 H new ATOM 0 HD23 LEU A 33 17.050 2.948 -7.416 1.00 0.00 H new ATOM 518 N GLY A 34 17.766 -2.748 -6.427 1.00 0.00 N ATOM 519 CA GLY A 34 18.674 -3.553 -5.559 1.00 0.00 C ATOM 520 C GLY A 34 18.034 -3.748 -4.183 1.00 0.00 C ATOM 521 O GLY A 34 18.557 -3.313 -3.176 1.00 0.00 O ATOM 0 H GLY A 34 16.946 -3.245 -6.776 1.00 0.00 H new ATOM 0 HA2 GLY A 34 18.870 -4.521 -6.020 1.00 0.00 H new ATOM 0 HA3 GLY A 34 19.635 -3.049 -5.456 1.00 0.00 H new ATOM 525 N TRP A 35 16.906 -4.404 -4.131 1.00 0.00 N ATOM 526 CA TRP A 35 16.232 -4.631 -2.822 1.00 0.00 C ATOM 527 C TRP A 35 15.845 -6.107 -2.709 1.00 0.00 C ATOM 528 O TRP A 35 15.071 -6.616 -3.494 1.00 0.00 O ATOM 529 CB TRP A 35 14.979 -3.747 -2.734 1.00 0.00 C ATOM 530 CG TRP A 35 13.996 -4.319 -1.754 1.00 0.00 C ATOM 531 CD1 TRP A 35 14.157 -4.347 -0.411 1.00 0.00 C ATOM 532 CD2 TRP A 35 12.705 -4.942 -2.023 1.00 0.00 C ATOM 533 NE1 TRP A 35 13.046 -4.944 0.160 1.00 0.00 N ATOM 534 CE2 TRP A 35 12.125 -5.329 -0.795 1.00 0.00 C ATOM 535 CE3 TRP A 35 11.991 -5.207 -3.204 1.00 0.00 C ATOM 536 CZ2 TRP A 35 10.878 -5.955 -0.740 1.00 0.00 C ATOM 537 CZ3 TRP A 35 10.738 -5.837 -3.153 1.00 0.00 C ATOM 538 CH2 TRP A 35 10.184 -6.210 -1.923 1.00 0.00 C ATOM 0 H TRP A 35 16.422 -4.793 -4.940 1.00 0.00 H new ATOM 0 HA TRP A 35 16.906 -4.372 -2.005 1.00 0.00 H new ATOM 0 HB2 TRP A 35 15.259 -2.739 -2.429 1.00 0.00 H new ATOM 0 HB3 TRP A 35 14.515 -3.666 -3.717 1.00 0.00 H new ATOM 0 HD1 TRP A 35 15.012 -3.966 0.127 1.00 0.00 H new ATOM 0 HE1 TRP A 35 12.923 -5.083 1.163 1.00 0.00 H new ATOM 0 HE3 TRP A 35 12.410 -4.924 -4.158 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 10.454 -6.240 0.212 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 10.199 -6.035 -4.067 1.00 0.00 H new ATOM 0 HH2 TRP A 35 9.220 -6.695 -1.890 1.00 0.00 H new ATOM 549 N VAL A 36 16.368 -6.796 -1.734 1.00 0.00 N ATOM 550 CA VAL A 36 16.014 -8.231 -1.574 1.00 0.00 C ATOM 551 C VAL A 36 14.803 -8.341 -0.650 1.00 0.00 C ATOM 552 O VAL A 36 14.886 -8.083 0.533 1.00 0.00 O ATOM 553 CB VAL A 36 17.195 -8.992 -0.972 1.00 0.00 C ATOM 554 CG1 VAL A 36 16.866 -10.485 -0.933 1.00 0.00 C ATOM 555 CG2 VAL A 36 18.438 -8.767 -1.835 1.00 0.00 C ATOM 0 H VAL A 36 17.023 -6.428 -1.044 1.00 0.00 H new ATOM 0 HA VAL A 36 15.776 -8.662 -2.546 1.00 0.00 H new ATOM 0 HB VAL A 36 17.385 -8.633 0.039 1.00 0.00 H new ATOM 0 HG11 VAL A 36 17.706 -11.032 -0.504 1.00 0.00 H new ATOM 0 HG12 VAL A 36 15.978 -10.646 -0.322 1.00 0.00 H new ATOM 0 HG13 VAL A 36 16.679 -10.843 -1.945 1.00 0.00 H new ATOM 0 HG21 VAL A 36 19.281 -9.309 -1.407 1.00 0.00 H new ATOM 0 HG22 VAL A 36 18.250 -9.129 -2.846 1.00 0.00 H new ATOM 0 HG23 VAL A 36 18.670 -7.703 -1.868 1.00 0.00 H new ATOM 565 N ALA A 37 13.673 -8.714 -1.184 1.00 0.00 N ATOM 566 CA ALA A 37 12.453 -8.832 -0.340 1.00 0.00 C ATOM 567 C ALA A 37 12.777 -9.634 0.923 1.00 0.00 C ATOM 568 O ALA A 37 12.103 -9.525 1.929 1.00 0.00 O ATOM 569 CB ALA A 37 11.352 -9.542 -1.129 1.00 0.00 C ATOM 0 H ALA A 37 13.543 -8.942 -2.170 1.00 0.00 H new ATOM 0 HA ALA A 37 12.112 -7.836 -0.057 1.00 0.00 H new ATOM 0 HB1 ALA A 37 10.459 -9.628 -0.510 1.00 0.00 H new ATOM 0 HB2 ALA A 37 11.119 -8.968 -2.025 1.00 0.00 H new ATOM 0 HB3 ALA A 37 11.693 -10.537 -1.414 1.00 0.00 H new ATOM 615 N ASN A 41 16.486 -4.444 3.876 1.00 0.00 N ATOM 616 CA ASN A 41 17.350 -3.259 3.619 1.00 0.00 C ATOM 617 C ASN A 41 16.688 -2.348 2.578 1.00 0.00 C ATOM 618 O ASN A 41 17.354 -1.678 1.815 1.00 0.00 O ATOM 619 CB ASN A 41 18.724 -3.727 3.115 1.00 0.00 C ATOM 620 CG ASN A 41 18.675 -4.011 1.609 1.00 0.00 C ATOM 621 OD1 ASN A 41 17.550 -4.379 1.058 1.00 0.00 O flip ATOM 622 ND2 ASN A 41 19.674 -3.897 0.926 1.00 0.00 N flip ATOM 0 HA ASN A 41 17.481 -2.697 4.544 1.00 0.00 H new ATOM 0 HB2 ASN A 41 19.474 -2.964 3.323 1.00 0.00 H new ATOM 0 HB3 ASN A 41 19.028 -4.626 3.651 1.00 0.00 H new ATOM 0 HD21 ASN A 41 20.554 -3.610 1.354 1.00 0.00 H new ATOM 0 HD22 ASN A 41 19.632 -4.089 -0.075 1.00 0.00 H new ATOM 629 N LEU A 42 15.383 -2.315 2.542 1.00 0.00 N ATOM 630 CA LEU A 42 14.688 -1.444 1.552 1.00 0.00 C ATOM 631 C LEU A 42 15.230 -0.023 1.666 1.00 0.00 C ATOM 632 O LEU A 42 15.868 0.488 0.771 1.00 0.00 O ATOM 633 CB LEU A 42 13.188 -1.425 1.850 1.00 0.00 C ATOM 634 CG LEU A 42 12.433 -0.755 0.693 1.00 0.00 C ATOM 635 CD1 LEU A 42 12.956 -1.277 -0.646 1.00 0.00 C ATOM 636 CD2 LEU A 42 10.941 -1.074 0.809 1.00 0.00 C ATOM 0 H LEU A 42 14.769 -2.853 3.154 1.00 0.00 H new ATOM 0 HA LEU A 42 14.859 -1.831 0.548 1.00 0.00 H new ATOM 0 HB2 LEU A 42 12.824 -2.442 1.992 1.00 0.00 H new ATOM 0 HB3 LEU A 42 13.000 -0.886 2.779 1.00 0.00 H new ATOM 0 HG LEU A 42 12.588 0.323 0.743 1.00 0.00 H new ATOM 0 HD11 LEU A 42 12.414 -0.796 -1.461 1.00 0.00 H new ATOM 0 HD12 LEU A 42 14.019 -1.052 -0.734 1.00 0.00 H new ATOM 0 HD13 LEU A 42 12.808 -2.356 -0.699 1.00 0.00 H new ATOM 0 HD21 LEU A 42 10.403 -0.599 -0.011 1.00 0.00 H new ATOM 0 HD22 LEU A 42 10.795 -2.153 0.763 1.00 0.00 H new ATOM 0 HD23 LEU A 42 10.561 -0.697 1.759 1.00 0.00 H new ATOM 648 N ALA A 43 14.972 0.618 2.768 1.00 0.00 N ATOM 649 CA ALA A 43 15.464 2.012 2.957 1.00 0.00 C ATOM 650 C ALA A 43 16.988 2.057 2.783 1.00 0.00 C ATOM 651 O ALA A 43 17.570 3.113 2.633 1.00 0.00 O ATOM 652 CB ALA A 43 15.100 2.494 4.362 1.00 0.00 C ATOM 0 H ALA A 43 14.440 0.237 3.550 1.00 0.00 H new ATOM 0 HA ALA A 43 14.998 2.659 2.214 1.00 0.00 H new ATOM 0 HB1 ALA A 43 15.459 3.514 4.501 1.00 0.00 H new ATOM 0 HB2 ALA A 43 14.017 2.471 4.485 1.00 0.00 H new ATOM 0 HB3 ALA A 43 15.564 1.842 5.102 1.00 0.00 H new ATOM 658 N ASP A 44 17.639 0.925 2.807 1.00 0.00 N ATOM 659 CA ASP A 44 19.122 0.913 2.649 1.00 0.00 C ATOM 660 C ASP A 44 19.493 1.055 1.169 1.00 0.00 C ATOM 661 O ASP A 44 20.492 1.655 0.828 1.00 0.00 O ATOM 662 CB ASP A 44 19.678 -0.407 3.188 1.00 0.00 C ATOM 663 CG ASP A 44 21.072 -0.173 3.773 1.00 0.00 C ATOM 664 OD1 ASP A 44 21.880 0.445 3.099 1.00 0.00 O ATOM 665 OD2 ASP A 44 21.308 -0.616 4.885 1.00 0.00 O ATOM 0 H ASP A 44 17.208 0.009 2.929 1.00 0.00 H new ATOM 0 HA ASP A 44 19.548 1.748 3.205 1.00 0.00 H new ATOM 0 HB2 ASP A 44 19.014 -0.808 3.953 1.00 0.00 H new ATOM 0 HB3 ASP A 44 19.727 -1.147 2.389 1.00 0.00 H new ATOM 670 N VAL A 45 18.698 0.509 0.287 1.00 0.00 N ATOM 671 CA VAL A 45 19.017 0.622 -1.168 1.00 0.00 C ATOM 672 C VAL A 45 18.170 1.732 -1.796 1.00 0.00 C ATOM 673 O VAL A 45 18.684 2.637 -2.423 1.00 0.00 O ATOM 674 CB VAL A 45 18.732 -0.706 -1.883 1.00 0.00 C ATOM 675 CG1 VAL A 45 20.020 -1.526 -1.965 1.00 0.00 C ATOM 676 CG2 VAL A 45 17.674 -1.504 -1.114 1.00 0.00 C ATOM 0 H VAL A 45 17.847 -0.007 0.508 1.00 0.00 H new ATOM 0 HA VAL A 45 20.075 0.862 -1.277 1.00 0.00 H new ATOM 0 HB VAL A 45 18.362 -0.495 -2.886 1.00 0.00 H new ATOM 0 HG11 VAL A 45 19.819 -2.469 -2.473 1.00 0.00 H new ATOM 0 HG12 VAL A 45 20.772 -0.967 -2.522 1.00 0.00 H new ATOM 0 HG13 VAL A 45 20.388 -1.727 -0.959 1.00 0.00 H new ATOM 0 HG21 VAL A 45 17.480 -2.444 -1.631 1.00 0.00 H new ATOM 0 HG22 VAL A 45 18.036 -1.712 -0.107 1.00 0.00 H new ATOM 0 HG23 VAL A 45 16.752 -0.925 -1.056 1.00 0.00 H new ATOM 686 N ALA A 46 16.877 1.673 -1.631 1.00 0.00 N ATOM 687 CA ALA A 46 16.002 2.727 -2.216 1.00 0.00 C ATOM 688 C ALA A 46 15.341 3.528 -1.087 1.00 0.00 C ATOM 689 O ALA A 46 14.197 3.291 -0.751 1.00 0.00 O ATOM 690 CB ALA A 46 14.918 2.070 -3.076 1.00 0.00 C ATOM 0 H ALA A 46 16.389 0.940 -1.116 1.00 0.00 H new ATOM 0 HA ALA A 46 16.602 3.396 -2.833 1.00 0.00 H new ATOM 0 HB1 ALA A 46 14.277 2.840 -3.505 1.00 0.00 H new ATOM 0 HB2 ALA A 46 15.386 1.500 -3.878 1.00 0.00 H new ATOM 0 HB3 ALA A 46 14.318 1.402 -2.458 1.00 0.00 H new ATOM 696 N PRO A 47 16.086 4.453 -0.533 1.00 0.00 N ATOM 697 CA PRO A 47 15.595 5.304 0.567 1.00 0.00 C ATOM 698 C PRO A 47 14.413 6.158 0.097 1.00 0.00 C ATOM 699 O PRO A 47 14.168 6.303 -1.084 1.00 0.00 O ATOM 700 CB PRO A 47 16.788 6.198 0.934 1.00 0.00 C ATOM 701 CG PRO A 47 17.951 5.854 -0.031 1.00 0.00 C ATOM 702 CD PRO A 47 17.472 4.722 -0.954 1.00 0.00 C ATOM 0 HA PRO A 47 15.242 4.717 1.415 1.00 0.00 H new ATOM 0 HB2 PRO A 47 16.518 7.250 0.847 1.00 0.00 H new ATOM 0 HB3 PRO A 47 17.087 6.030 1.969 1.00 0.00 H new ATOM 0 HG2 PRO A 47 18.235 6.729 -0.615 1.00 0.00 H new ATOM 0 HG3 PRO A 47 18.833 5.544 0.529 1.00 0.00 H new ATOM 0 HD2 PRO A 47 17.516 5.020 -2.001 1.00 0.00 H new ATOM 0 HD3 PRO A 47 18.097 3.835 -0.849 1.00 0.00 H new ATOM 710 N GLY A 48 13.682 6.729 1.018 1.00 0.00 N ATOM 711 CA GLY A 48 12.518 7.578 0.633 1.00 0.00 C ATOM 712 C GLY A 48 11.741 6.909 -0.501 1.00 0.00 C ATOM 713 O GLY A 48 11.450 7.520 -1.510 1.00 0.00 O ATOM 0 H GLY A 48 13.842 6.643 2.022 1.00 0.00 H new ATOM 0 HA2 GLY A 48 11.866 7.729 1.493 1.00 0.00 H new ATOM 0 HA3 GLY A 48 12.863 8.563 0.318 1.00 0.00 H new ATOM 717 N LYS A 49 11.399 5.659 -0.344 1.00 0.00 N ATOM 718 CA LYS A 49 10.639 4.955 -1.415 1.00 0.00 C ATOM 719 C LYS A 49 9.671 3.954 -0.781 1.00 0.00 C ATOM 720 O LYS A 49 10.063 2.896 -0.332 1.00 0.00 O ATOM 721 CB LYS A 49 11.615 4.209 -2.328 1.00 0.00 C ATOM 722 CG LYS A 49 12.226 5.187 -3.334 1.00 0.00 C ATOM 723 CD LYS A 49 11.362 5.228 -4.596 1.00 0.00 C ATOM 724 CE LYS A 49 11.943 6.246 -5.579 1.00 0.00 C ATOM 725 NZ LYS A 49 12.449 5.536 -6.787 1.00 0.00 N ATOM 0 H LYS A 49 11.613 5.096 0.479 1.00 0.00 H new ATOM 0 HA LYS A 49 10.078 5.684 -2.000 1.00 0.00 H new ATOM 0 HB2 LYS A 49 12.402 3.744 -1.734 1.00 0.00 H new ATOM 0 HB3 LYS A 49 11.097 3.407 -2.854 1.00 0.00 H new ATOM 0 HG2 LYS A 49 12.294 6.182 -2.894 1.00 0.00 H new ATOM 0 HG3 LYS A 49 13.241 4.880 -3.585 1.00 0.00 H new ATOM 0 HD2 LYS A 49 11.326 4.241 -5.057 1.00 0.00 H new ATOM 0 HD3 LYS A 49 10.338 5.498 -4.340 1.00 0.00 H new ATOM 0 HE2 LYS A 49 11.180 6.970 -5.863 1.00 0.00 H new ATOM 0 HE3 LYS A 49 12.752 6.804 -5.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 12.844 6.227 -7.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 13.190 4.861 -6.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 11.667 5.023 -7.241 1.00 0.00 H new ATOM 739 N SER A 50 8.408 4.282 -0.740 1.00 0.00 N ATOM 740 CA SER A 50 7.415 3.350 -0.136 1.00 0.00 C ATOM 741 C SER A 50 6.874 2.410 -1.216 1.00 0.00 C ATOM 742 O SER A 50 6.947 2.697 -2.395 1.00 0.00 O ATOM 743 CB SER A 50 6.260 4.155 0.462 1.00 0.00 C ATOM 744 OG SER A 50 6.565 4.481 1.811 1.00 0.00 O ATOM 0 H SER A 50 8.022 5.155 -1.099 1.00 0.00 H new ATOM 0 HA SER A 50 7.896 2.765 0.648 1.00 0.00 H new ATOM 0 HB2 SER A 50 6.097 5.065 -0.116 1.00 0.00 H new ATOM 0 HB3 SER A 50 5.336 3.578 0.415 1.00 0.00 H new ATOM 0 HG SER A 50 5.910 5.128 2.147 1.00 0.00 H new ATOM 750 N ILE A 51 6.332 1.290 -0.824 1.00 0.00 N ATOM 751 CA ILE A 51 5.786 0.334 -1.828 1.00 0.00 C ATOM 752 C ILE A 51 4.267 0.502 -1.911 1.00 0.00 C ATOM 753 O ILE A 51 3.589 0.586 -0.907 1.00 0.00 O ATOM 754 CB ILE A 51 6.113 -1.102 -1.408 1.00 0.00 C ATOM 755 CG1 ILE A 51 7.494 -1.152 -0.736 1.00 0.00 C ATOM 756 CG2 ILE A 51 6.106 -2.006 -2.642 1.00 0.00 C ATOM 757 CD1 ILE A 51 8.600 -1.086 -1.795 1.00 0.00 C ATOM 0 H ILE A 51 6.244 0.995 0.149 1.00 0.00 H new ATOM 0 HA ILE A 51 6.235 0.537 -2.800 1.00 0.00 H new ATOM 0 HB ILE A 51 5.362 -1.449 -0.698 1.00 0.00 H new ATOM 0 HG12 ILE A 51 7.598 -0.321 -0.039 1.00 0.00 H new ATOM 0 HG13 ILE A 51 7.591 -2.069 -0.155 1.00 0.00 H new ATOM 0 HG21 ILE A 51 6.339 -3.029 -2.345 1.00 0.00 H new ATOM 0 HG22 ILE A 51 5.121 -1.978 -3.108 1.00 0.00 H new ATOM 0 HG23 ILE A 51 6.854 -1.656 -3.354 1.00 0.00 H new ATOM 0 HD11 ILE A 51 9.574 -1.122 -1.307 1.00 0.00 H new ATOM 0 HD12 ILE A 51 8.503 -1.932 -2.475 1.00 0.00 H new ATOM 0 HD13 ILE A 51 8.510 -0.157 -2.357 1.00 0.00 H new ATOM 769 N GLY A 52 3.722 0.550 -3.099 1.00 0.00 N ATOM 770 CA GLY A 52 2.246 0.712 -3.230 1.00 0.00 C ATOM 771 C GLY A 52 1.840 0.578 -4.699 1.00 0.00 C ATOM 772 O GLY A 52 2.591 0.912 -5.594 1.00 0.00 O ATOM 0 H GLY A 52 4.233 0.484 -3.979 1.00 0.00 H new ATOM 0 HA2 GLY A 52 1.733 -0.041 -2.631 1.00 0.00 H new ATOM 0 HA3 GLY A 52 1.942 1.686 -2.846 1.00 0.00 H new ATOM 776 N GLY A 53 0.657 0.091 -4.955 1.00 0.00 N ATOM 777 CA GLY A 53 0.203 -0.064 -6.366 1.00 0.00 C ATOM 778 C GLY A 53 0.183 -1.546 -6.739 1.00 0.00 C ATOM 779 O GLY A 53 0.338 -1.910 -7.887 1.00 0.00 O ATOM 0 H GLY A 53 -0.015 -0.206 -4.248 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -0.791 0.365 -6.488 1.00 0.00 H new ATOM 0 HA3 GLY A 53 0.869 0.481 -7.035 1.00 0.00 H new ATOM 783 N ASP A 54 -0.008 -2.407 -5.777 1.00 0.00 N ATOM 784 CA ASP A 54 -0.039 -3.865 -6.080 1.00 0.00 C ATOM 785 C ASP A 54 -1.490 -4.321 -6.244 1.00 0.00 C ATOM 786 O ASP A 54 -2.384 -3.830 -5.584 1.00 0.00 O ATOM 787 CB ASP A 54 0.614 -4.637 -4.931 1.00 0.00 C ATOM 788 CG ASP A 54 2.124 -4.717 -5.162 1.00 0.00 C ATOM 789 OD1 ASP A 54 2.667 -3.781 -5.727 1.00 0.00 O ATOM 790 OD2 ASP A 54 2.712 -5.712 -4.770 1.00 0.00 O ATOM 0 H ASP A 54 -0.144 -2.164 -4.796 1.00 0.00 H new ATOM 0 HA ASP A 54 0.507 -4.057 -7.003 1.00 0.00 H new ATOM 0 HB2 ASP A 54 0.406 -4.142 -3.982 1.00 0.00 H new ATOM 0 HB3 ASP A 54 0.192 -5.640 -4.867 1.00 0.00 H new ATOM 795 N ILE A 55 -1.730 -5.255 -7.122 1.00 0.00 N ATOM 796 CA ILE A 55 -3.123 -5.742 -7.331 1.00 0.00 C ATOM 797 C ILE A 55 -3.615 -6.446 -6.065 1.00 0.00 C ATOM 798 O ILE A 55 -2.861 -7.101 -5.373 1.00 0.00 O ATOM 799 CB ILE A 55 -3.151 -6.724 -8.505 1.00 0.00 C ATOM 800 CG1 ILE A 55 -2.960 -5.957 -9.815 1.00 0.00 C ATOM 801 CG2 ILE A 55 -4.497 -7.449 -8.534 1.00 0.00 C ATOM 802 CD1 ILE A 55 -4.018 -4.857 -9.924 1.00 0.00 C ATOM 0 H ILE A 55 -1.022 -5.702 -7.704 1.00 0.00 H new ATOM 0 HA ILE A 55 -3.773 -4.895 -7.551 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.348 -7.452 -8.387 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -1.962 -5.520 -9.850 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -3.040 -6.638 -10.662 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -4.516 -8.148 -9.370 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -4.636 -7.995 -7.601 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -5.300 -6.721 -8.651 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -3.881 -4.311 -10.858 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -5.012 -5.305 -9.908 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -3.916 -4.170 -9.084 1.00 0.00 H new ATOM 814 N PHE A 56 -4.877 -6.320 -5.759 1.00 0.00 N ATOM 815 CA PHE A 56 -5.421 -6.983 -4.542 1.00 0.00 C ATOM 816 C PHE A 56 -6.549 -7.934 -4.949 1.00 0.00 C ATOM 817 O PHE A 56 -7.701 -7.555 -5.013 1.00 0.00 O ATOM 818 CB PHE A 56 -5.963 -5.924 -3.578 1.00 0.00 C ATOM 819 CG PHE A 56 -6.383 -6.586 -2.287 1.00 0.00 C ATOM 820 CD1 PHE A 56 -5.414 -7.067 -1.399 1.00 0.00 C ATOM 821 CD2 PHE A 56 -7.742 -6.721 -1.980 1.00 0.00 C ATOM 822 CE1 PHE A 56 -5.802 -7.680 -0.203 1.00 0.00 C ATOM 823 CE2 PHE A 56 -8.131 -7.336 -0.783 1.00 0.00 C ATOM 824 CZ PHE A 56 -7.162 -7.815 0.105 1.00 0.00 C ATOM 0 H PHE A 56 -5.556 -5.785 -6.301 1.00 0.00 H new ATOM 0 HA PHE A 56 -4.629 -7.545 -4.047 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -5.200 -5.171 -3.381 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -6.811 -5.408 -4.027 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -4.366 -6.965 -1.637 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -8.490 -6.351 -2.666 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -5.054 -8.049 0.483 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -9.179 -7.440 -0.546 1.00 0.00 H new ATOM 0 HZ PHE A 56 -7.462 -8.289 1.028 1.00 0.00 H new ATOM 905 N LYS A 62 -12.600 -9.485 2.288 1.00 0.00 N ATOM 906 CA LYS A 62 -13.280 -8.612 3.287 1.00 0.00 C ATOM 907 C LYS A 62 -13.594 -7.254 2.653 1.00 0.00 C ATOM 908 O LYS A 62 -14.202 -6.400 3.268 1.00 0.00 O ATOM 909 CB LYS A 62 -12.365 -8.411 4.497 1.00 0.00 C ATOM 910 CG LYS A 62 -12.937 -9.165 5.699 1.00 0.00 C ATOM 911 CD LYS A 62 -14.216 -8.473 6.175 1.00 0.00 C ATOM 912 CE LYS A 62 -15.117 -9.491 6.876 1.00 0.00 C ATOM 913 NZ LYS A 62 -16.429 -8.859 7.191 1.00 0.00 N ATOM 0 HA LYS A 62 -14.208 -9.085 3.608 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -11.361 -8.772 4.272 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -12.278 -7.349 4.728 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -13.150 -10.198 5.425 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -12.205 -9.194 6.506 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -13.969 -7.659 6.857 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -14.740 -8.031 5.328 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -15.265 -10.362 6.238 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -14.642 -9.844 7.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -17.042 -9.551 7.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -16.279 -8.041 7.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -16.883 -8.544 6.310 1.00 0.00 H new ATOM 927 N LEU A 63 -13.187 -7.049 1.432 1.00 0.00 N ATOM 928 CA LEU A 63 -13.467 -5.747 0.761 1.00 0.00 C ATOM 929 C LEU A 63 -14.797 -5.841 0.005 1.00 0.00 C ATOM 930 O LEU A 63 -15.146 -6.889 -0.498 1.00 0.00 O ATOM 931 CB LEU A 63 -12.343 -5.428 -0.227 1.00 0.00 C ATOM 932 CG LEU A 63 -11.070 -5.067 0.540 1.00 0.00 C ATOM 933 CD1 LEU A 63 -9.869 -5.135 -0.404 1.00 0.00 C ATOM 934 CD2 LEU A 63 -11.194 -3.648 1.098 1.00 0.00 C ATOM 0 H LEU A 63 -12.672 -7.726 0.869 1.00 0.00 H new ATOM 0 HA LEU A 63 -13.526 -4.958 1.510 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -12.159 -6.286 -0.873 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -12.637 -4.601 -0.873 1.00 0.00 H new ATOM 0 HG LEU A 63 -10.931 -5.771 1.360 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -8.962 -4.878 0.142 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -9.778 -6.145 -0.804 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -10.011 -4.431 -1.224 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -10.286 -3.391 1.645 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -11.334 -2.945 0.277 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -12.050 -3.595 1.771 1.00 0.00 H new ATOM 946 N PRO A 64 -15.500 -4.738 -0.049 1.00 0.00 N ATOM 947 CA PRO A 64 -16.800 -4.671 -0.740 1.00 0.00 C ATOM 948 C PRO A 64 -16.623 -4.972 -2.231 1.00 0.00 C ATOM 949 O PRO A 64 -15.558 -4.793 -2.788 1.00 0.00 O ATOM 950 CB PRO A 64 -17.279 -3.228 -0.537 1.00 0.00 C ATOM 951 CG PRO A 64 -16.186 -2.477 0.266 1.00 0.00 C ATOM 952 CD PRO A 64 -15.060 -3.476 0.570 1.00 0.00 C ATOM 0 HA PRO A 64 -17.513 -5.398 -0.352 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -17.449 -2.743 -1.498 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -18.227 -3.212 0.000 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -15.803 -1.632 -0.307 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -16.600 -2.074 1.190 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -14.110 -3.141 0.153 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -14.913 -3.592 1.644 1.00 0.00 H new ATOM 960 N GLY A 65 -17.658 -5.427 -2.882 1.00 0.00 N ATOM 961 CA GLY A 65 -17.546 -5.736 -4.336 1.00 0.00 C ATOM 962 C GLY A 65 -18.237 -7.069 -4.633 1.00 0.00 C ATOM 963 O GLY A 65 -18.862 -7.659 -3.775 1.00 0.00 O ATOM 0 H GLY A 65 -18.576 -5.598 -2.471 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -18.003 -4.939 -4.923 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -16.497 -5.786 -4.628 1.00 0.00 H new ATOM 1031 N THR A 70 -11.803 -6.576 -8.919 1.00 0.00 N ATOM 1032 CA THR A 70 -10.364 -6.415 -8.562 1.00 0.00 C ATOM 1033 C THR A 70 -10.205 -5.228 -7.610 1.00 0.00 C ATOM 1034 O THR A 70 -10.999 -4.308 -7.610 1.00 0.00 O ATOM 1035 CB THR A 70 -9.549 -6.162 -9.833 1.00 0.00 C ATOM 1036 OG1 THR A 70 -10.320 -6.527 -10.969 1.00 0.00 O ATOM 1037 CG2 THR A 70 -8.268 -6.996 -9.794 1.00 0.00 C ATOM 0 HA THR A 70 -10.006 -7.322 -8.075 1.00 0.00 H new ATOM 0 HB THR A 70 -9.290 -5.105 -9.894 1.00 0.00 H new ATOM 0 HG1 THR A 70 -11.273 -6.495 -10.742 1.00 0.00 H new ATOM 0 HG21 THR A 70 -7.688 -6.815 -10.699 1.00 0.00 H new ATOM 0 HG22 THR A 70 -7.677 -6.714 -8.922 1.00 0.00 H new ATOM 0 HG23 THR A 70 -8.524 -8.054 -9.732 1.00 0.00 H new ATOM 1045 N TRP A 71 -9.185 -5.242 -6.796 1.00 0.00 N ATOM 1046 CA TRP A 71 -8.975 -4.115 -5.843 1.00 0.00 C ATOM 1047 C TRP A 71 -7.538 -3.607 -5.961 1.00 0.00 C ATOM 1048 O TRP A 71 -6.716 -4.186 -6.641 1.00 0.00 O ATOM 1049 CB TRP A 71 -9.211 -4.605 -4.413 1.00 0.00 C ATOM 1050 CG TRP A 71 -10.628 -4.342 -4.015 1.00 0.00 C ATOM 1051 CD1 TRP A 71 -11.703 -4.991 -4.510 1.00 0.00 C ATOM 1052 CD2 TRP A 71 -11.139 -3.379 -3.047 1.00 0.00 C ATOM 1053 NE1 TRP A 71 -12.844 -4.489 -3.910 1.00 0.00 N ATOM 1054 CE2 TRP A 71 -12.549 -3.494 -3.001 1.00 0.00 C ATOM 1055 CE3 TRP A 71 -10.525 -2.428 -2.213 1.00 0.00 C ATOM 1056 CZ2 TRP A 71 -13.321 -2.693 -2.158 1.00 0.00 C ATOM 1057 CZ3 TRP A 71 -11.300 -1.621 -1.362 1.00 0.00 C ATOM 1058 CH2 TRP A 71 -12.694 -1.753 -1.336 1.00 0.00 C ATOM 0 H TRP A 71 -8.488 -5.985 -6.750 1.00 0.00 H new ATOM 0 HA TRP A 71 -9.672 -3.311 -6.079 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -8.996 -5.671 -4.344 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -8.531 -4.098 -3.728 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -11.677 -5.774 -5.253 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -13.789 -4.815 -4.115 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -9.451 -2.317 -2.226 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -14.396 -2.799 -2.141 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -10.818 -0.895 -0.724 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -13.284 -1.129 -0.681 1.00 0.00 H new ATOM 1069 N ARG A 72 -7.229 -2.533 -5.289 1.00 0.00 N ATOM 1070 CA ARG A 72 -5.845 -1.990 -5.343 1.00 0.00 C ATOM 1071 C ARG A 72 -5.292 -1.933 -3.919 1.00 0.00 C ATOM 1072 O ARG A 72 -6.011 -1.660 -2.980 1.00 0.00 O ATOM 1073 CB ARG A 72 -5.870 -0.585 -5.944 1.00 0.00 C ATOM 1074 CG ARG A 72 -6.385 -0.654 -7.383 1.00 0.00 C ATOM 1075 CD ARG A 72 -5.334 -0.074 -8.331 1.00 0.00 C ATOM 1076 NE ARG A 72 -5.757 -0.295 -9.744 1.00 0.00 N ATOM 1077 CZ ARG A 72 -6.374 -1.396 -10.080 1.00 0.00 C ATOM 1078 NH1 ARG A 72 -7.594 -1.612 -9.669 1.00 0.00 N ATOM 1079 NH2 ARG A 72 -5.770 -2.280 -10.825 1.00 0.00 N ATOM 0 H ARG A 72 -7.878 -2.007 -4.703 1.00 0.00 H new ATOM 0 HA ARG A 72 -5.214 -2.628 -5.962 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -6.510 0.065 -5.348 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -4.870 -0.152 -5.925 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -6.603 -1.687 -7.653 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -7.318 -0.098 -7.473 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -5.208 0.992 -8.141 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -4.368 -0.546 -8.152 1.00 0.00 H new ATOM 0 HE ARG A 72 -5.564 0.416 -10.450 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -8.065 -0.921 -9.085 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -8.076 -2.472 -9.931 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -4.816 -2.111 -11.145 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -6.251 -3.140 -11.088 1.00 0.00 H new ATOM 1093 N GLU A 73 -4.028 -2.203 -3.738 1.00 0.00 N ATOM 1094 CA GLU A 73 -3.467 -2.174 -2.360 1.00 0.00 C ATOM 1095 C GLU A 73 -2.240 -1.259 -2.302 1.00 0.00 C ATOM 1096 O GLU A 73 -1.525 -1.094 -3.271 1.00 0.00 O ATOM 1097 CB GLU A 73 -3.059 -3.590 -1.950 1.00 0.00 C ATOM 1098 CG GLU A 73 -1.847 -4.032 -2.771 1.00 0.00 C ATOM 1099 CD GLU A 73 -0.619 -4.119 -1.864 1.00 0.00 C ATOM 1100 OE1 GLU A 73 -0.306 -3.127 -1.226 1.00 0.00 O ATOM 1101 OE2 GLU A 73 -0.010 -5.175 -1.823 1.00 0.00 O ATOM 0 H GLU A 73 -3.366 -2.440 -4.477 1.00 0.00 H new ATOM 0 HA GLU A 73 -4.227 -1.792 -1.678 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -2.820 -3.617 -0.887 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -3.889 -4.279 -2.108 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -2.041 -5.000 -3.232 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -1.665 -3.324 -3.580 1.00 0.00 H new ATOM 1108 N ALA A 74 -1.989 -0.671 -1.162 1.00 0.00 N ATOM 1109 CA ALA A 74 -0.807 0.225 -1.022 1.00 0.00 C ATOM 1110 C ALA A 74 -0.203 0.047 0.373 1.00 0.00 C ATOM 1111 O ALA A 74 -0.898 -0.237 1.327 1.00 0.00 O ATOM 1112 CB ALA A 74 -1.238 1.681 -1.205 1.00 0.00 C ATOM 0 H ALA A 74 -2.555 -0.774 -0.320 1.00 0.00 H new ATOM 0 HA ALA A 74 -0.067 -0.030 -1.781 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -0.371 2.333 -1.102 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -1.673 1.810 -2.196 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -1.978 1.939 -0.448 1.00 0.00 H new ATOM 1118 N ASP A 75 1.085 0.212 0.501 1.00 0.00 N ATOM 1119 CA ASP A 75 1.723 0.051 1.838 1.00 0.00 C ATOM 1120 C ASP A 75 1.433 1.287 2.691 1.00 0.00 C ATOM 1121 O ASP A 75 1.582 2.408 2.247 1.00 0.00 O ATOM 1122 CB ASP A 75 3.235 -0.111 1.667 1.00 0.00 C ATOM 1123 CG ASP A 75 3.522 -1.339 0.803 1.00 0.00 C ATOM 1124 OD1 ASP A 75 2.781 -1.562 -0.140 1.00 0.00 O ATOM 1125 OD2 ASP A 75 4.477 -2.037 1.100 1.00 0.00 O ATOM 0 H ASP A 75 1.721 0.451 -0.260 1.00 0.00 H new ATOM 0 HA ASP A 75 1.319 -0.833 2.331 1.00 0.00 H new ATOM 0 HB2 ASP A 75 3.657 0.780 1.202 1.00 0.00 H new ATOM 0 HB3 ASP A 75 3.712 -0.219 2.641 1.00 0.00 H new ATOM 1130 N ILE A 76 1.017 1.093 3.913 1.00 0.00 N ATOM 1131 CA ILE A 76 0.717 2.260 4.790 1.00 0.00 C ATOM 1132 C ILE A 76 1.762 2.341 5.905 1.00 0.00 C ATOM 1133 O ILE A 76 2.100 1.354 6.526 1.00 0.00 O ATOM 1134 CB ILE A 76 -0.675 2.093 5.403 1.00 0.00 C ATOM 1135 CG1 ILE A 76 -1.736 2.291 4.318 1.00 0.00 C ATOM 1136 CG2 ILE A 76 -0.877 3.135 6.503 1.00 0.00 C ATOM 1137 CD1 ILE A 76 -1.759 3.760 3.889 1.00 0.00 C ATOM 0 H ILE A 76 0.872 0.179 4.341 1.00 0.00 H new ATOM 0 HA ILE A 76 0.745 3.176 4.200 1.00 0.00 H new ATOM 0 HB ILE A 76 -0.767 1.093 5.827 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -1.518 1.654 3.461 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -2.716 1.995 4.694 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -1.869 3.016 6.939 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -0.121 2.999 7.277 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -0.785 4.135 6.078 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -2.515 3.902 3.116 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -1.997 4.386 4.749 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -0.781 4.040 3.496 1.00 0.00 H new ATOM 1149 N ASN A 77 2.276 3.513 6.164 1.00 0.00 N ATOM 1150 CA ASN A 77 3.299 3.658 7.237 1.00 0.00 C ATOM 1151 C ASN A 77 4.554 2.869 6.855 1.00 0.00 C ATOM 1152 O ASN A 77 4.478 1.732 6.432 1.00 0.00 O ATOM 1153 CB ASN A 77 2.739 3.118 8.555 1.00 0.00 C ATOM 1154 CG ASN A 77 2.186 4.276 9.387 1.00 0.00 C ATOM 1155 OD1 ASN A 77 2.235 5.417 8.970 1.00 0.00 O ATOM 1156 ND2 ASN A 77 1.657 4.031 10.554 1.00 0.00 N ATOM 0 H ASN A 77 2.031 4.376 5.678 1.00 0.00 H new ATOM 0 HA ASN A 77 3.553 4.711 7.356 1.00 0.00 H new ATOM 0 HB2 ASN A 77 1.952 2.390 8.357 1.00 0.00 H new ATOM 0 HB3 ASN A 77 3.521 2.599 9.109 1.00 0.00 H new ATOM 0 HD21 ASN A 77 1.285 4.796 11.116 1.00 0.00 H new ATOM 0 HD22 ASN A 77 1.616 3.074 10.904 1.00 0.00 H new ATOM 1163 N TYR A 78 5.707 3.460 7.005 1.00 0.00 N ATOM 1164 CA TYR A 78 6.961 2.748 6.657 1.00 0.00 C ATOM 1165 C TYR A 78 8.162 3.563 7.141 1.00 0.00 C ATOM 1166 O TYR A 78 8.268 4.745 6.880 1.00 0.00 O ATOM 1167 CB TYR A 78 7.041 2.558 5.140 1.00 0.00 C ATOM 1168 CG TYR A 78 8.430 2.106 4.759 1.00 0.00 C ATOM 1169 CD1 TYR A 78 8.753 0.744 4.778 1.00 0.00 C ATOM 1170 CD2 TYR A 78 9.395 3.049 4.386 1.00 0.00 C ATOM 1171 CE1 TYR A 78 10.041 0.326 4.425 1.00 0.00 C ATOM 1172 CE2 TYR A 78 10.682 2.630 4.032 1.00 0.00 C ATOM 1173 CZ TYR A 78 11.006 1.269 4.051 1.00 0.00 C ATOM 1174 OH TYR A 78 12.275 0.857 3.704 1.00 0.00 O ATOM 0 H TYR A 78 5.832 4.410 7.355 1.00 0.00 H new ATOM 0 HA TYR A 78 6.970 1.771 7.141 1.00 0.00 H new ATOM 0 HB2 TYR A 78 6.306 1.821 4.816 1.00 0.00 H new ATOM 0 HB3 TYR A 78 6.800 3.492 4.633 1.00 0.00 H new ATOM 0 HD1 TYR A 78 8.008 0.016 5.065 1.00 0.00 H new ATOM 0 HD2 TYR A 78 9.146 4.100 4.372 1.00 0.00 H new ATOM 0 HE1 TYR A 78 10.291 -0.725 4.441 1.00 0.00 H new ATOM 0 HE2 TYR A 78 11.426 3.358 3.744 1.00 0.00 H new ATOM 0 HH TYR A 78 12.636 0.280 4.409 1.00 0.00 H new ATOM 1184 N THR A 79 9.068 2.941 7.844 1.00 0.00 N ATOM 1185 CA THR A 79 10.261 3.678 8.344 1.00 0.00 C ATOM 1186 C THR A 79 11.525 2.981 7.858 1.00 0.00 C ATOM 1187 O THR A 79 12.151 3.387 6.899 1.00 0.00 O ATOM 1188 CB THR A 79 10.243 3.698 9.874 1.00 0.00 C ATOM 1189 OG1 THR A 79 9.440 2.627 10.350 1.00 0.00 O ATOM 1190 CG2 THR A 79 9.668 5.027 10.365 1.00 0.00 C ATOM 0 H THR A 79 9.033 1.953 8.094 1.00 0.00 H new ATOM 0 HA THR A 79 10.243 4.701 7.968 1.00 0.00 H new ATOM 0 HB THR A 79 11.260 3.586 10.250 1.00 0.00 H new ATOM 0 HG1 THR A 79 9.429 2.637 11.330 1.00 0.00 H new ATOM 0 HG21 THR A 79 9.657 5.038 11.455 1.00 0.00 H new ATOM 0 HG22 THR A 79 10.286 5.848 10.000 1.00 0.00 H new ATOM 0 HG23 THR A 79 8.651 5.144 9.990 1.00 0.00 H new ATOM 1198 N SER A 80 11.898 1.933 8.520 1.00 0.00 N ATOM 1199 CA SER A 80 13.122 1.183 8.119 1.00 0.00 C ATOM 1200 C SER A 80 13.031 -0.253 8.637 1.00 0.00 C ATOM 1201 O SER A 80 12.213 -0.569 9.479 1.00 0.00 O ATOM 1202 CB SER A 80 14.355 1.864 8.715 1.00 0.00 C ATOM 1203 OG SER A 80 15.109 2.467 7.673 1.00 0.00 O ATOM 0 H SER A 80 11.407 1.555 9.330 1.00 0.00 H new ATOM 0 HA SER A 80 13.203 1.173 7.032 1.00 0.00 H new ATOM 0 HB2 SER A 80 14.052 2.617 9.443 1.00 0.00 H new ATOM 0 HB3 SER A 80 14.966 1.134 9.246 1.00 0.00 H new ATOM 0 HG SER A 80 15.899 2.906 8.052 1.00 0.00 H new ATOM 1209 N GLY A 81 13.864 -1.127 8.143 1.00 0.00 N ATOM 1210 CA GLY A 81 13.824 -2.542 8.608 1.00 0.00 C ATOM 1211 C GLY A 81 12.990 -3.377 7.636 1.00 0.00 C ATOM 1212 O GLY A 81 12.903 -3.077 6.463 1.00 0.00 O ATOM 0 H GLY A 81 14.571 -0.922 7.437 1.00 0.00 H new ATOM 0 HA2 GLY A 81 14.835 -2.943 8.673 1.00 0.00 H new ATOM 0 HA3 GLY A 81 13.396 -2.595 9.609 1.00 0.00 H new ATOM 1216 N PHE A 82 12.377 -4.425 8.116 1.00 0.00 N ATOM 1217 CA PHE A 82 11.549 -5.280 7.220 1.00 0.00 C ATOM 1218 C PHE A 82 10.304 -4.506 6.784 1.00 0.00 C ATOM 1219 O PHE A 82 10.170 -3.328 7.047 1.00 0.00 O ATOM 1220 CB PHE A 82 11.128 -6.546 7.970 1.00 0.00 C ATOM 1221 CG PHE A 82 12.167 -7.620 7.763 1.00 0.00 C ATOM 1222 CD1 PHE A 82 13.528 -7.296 7.812 1.00 0.00 C ATOM 1223 CD2 PHE A 82 11.770 -8.942 7.524 1.00 0.00 C ATOM 1224 CE1 PHE A 82 14.492 -8.292 7.622 1.00 0.00 C ATOM 1225 CE2 PHE A 82 12.735 -9.938 7.333 1.00 0.00 C ATOM 1226 CZ PHE A 82 14.096 -9.613 7.381 1.00 0.00 C ATOM 0 H PHE A 82 12.414 -4.726 9.090 1.00 0.00 H new ATOM 0 HA PHE A 82 12.131 -5.556 6.340 1.00 0.00 H new ATOM 0 HB2 PHE A 82 11.017 -6.332 9.033 1.00 0.00 H new ATOM 0 HB3 PHE A 82 10.158 -6.889 7.611 1.00 0.00 H new ATOM 0 HD1 PHE A 82 13.834 -6.277 7.997 1.00 0.00 H new ATOM 0 HD2 PHE A 82 10.720 -9.193 7.487 1.00 0.00 H new ATOM 0 HE1 PHE A 82 15.542 -8.042 7.661 1.00 0.00 H new ATOM 0 HE2 PHE A 82 12.430 -10.957 7.149 1.00 0.00 H new ATOM 0 HZ PHE A 82 14.840 -10.381 7.232 1.00 0.00 H new ATOM 1236 N ARG A 83 9.390 -5.160 6.119 1.00 0.00 N ATOM 1237 CA ARG A 83 8.154 -4.460 5.668 1.00 0.00 C ATOM 1238 C ARG A 83 7.255 -4.189 6.875 1.00 0.00 C ATOM 1239 O ARG A 83 7.718 -4.058 7.991 1.00 0.00 O ATOM 1240 CB ARG A 83 7.406 -5.339 4.663 1.00 0.00 C ATOM 1241 CG ARG A 83 8.385 -5.868 3.614 1.00 0.00 C ATOM 1242 CD ARG A 83 8.448 -4.894 2.435 1.00 0.00 C ATOM 1243 NE ARG A 83 9.821 -4.320 2.326 1.00 0.00 N ATOM 1244 CZ ARG A 83 10.504 -4.042 3.404 1.00 0.00 C ATOM 1245 NH1 ARG A 83 10.273 -2.937 4.056 1.00 0.00 N ATOM 1246 NH2 ARG A 83 11.417 -4.873 3.828 1.00 0.00 N ATOM 0 H ARG A 83 9.446 -6.147 5.869 1.00 0.00 H new ATOM 0 HA ARG A 83 8.423 -3.516 5.194 1.00 0.00 H new ATOM 0 HB2 ARG A 83 6.926 -6.171 5.179 1.00 0.00 H new ATOM 0 HB3 ARG A 83 6.616 -4.765 4.180 1.00 0.00 H new ATOM 0 HG2 ARG A 83 9.375 -5.988 4.053 1.00 0.00 H new ATOM 0 HG3 ARG A 83 8.068 -6.852 3.269 1.00 0.00 H new ATOM 0 HD2 ARG A 83 8.185 -5.409 1.511 1.00 0.00 H new ATOM 0 HD3 ARG A 83 7.720 -4.095 2.572 1.00 0.00 H new ATOM 0 HE ARG A 83 10.227 -4.144 1.407 1.00 0.00 H new ATOM 0 HH11 ARG A 83 9.559 -2.289 3.724 1.00 0.00 H new ATOM 0 HH12 ARG A 83 10.807 -2.720 4.898 1.00 0.00 H new ATOM 0 HH21 ARG A 83 11.596 -5.738 3.318 1.00 0.00 H new ATOM 0 HH22 ARG A 83 11.951 -4.658 4.670 1.00 0.00 H new ATOM 1260 N ASN A 84 5.970 -4.105 6.663 1.00 0.00 N ATOM 1261 CA ASN A 84 5.042 -3.843 7.800 1.00 0.00 C ATOM 1262 C ASN A 84 3.760 -4.659 7.608 1.00 0.00 C ATOM 1263 O ASN A 84 3.629 -5.416 6.667 1.00 0.00 O ATOM 1264 CB ASN A 84 4.696 -2.352 7.851 1.00 0.00 C ATOM 1265 CG ASN A 84 4.751 -1.758 6.442 1.00 0.00 C ATOM 1266 OD1 ASN A 84 5.816 -1.452 5.941 1.00 0.00 O ATOM 1267 ND2 ASN A 84 3.643 -1.578 5.778 1.00 0.00 N ATOM 0 H ASN A 84 5.523 -4.206 5.752 1.00 0.00 H new ATOM 0 HA ASN A 84 5.523 -4.133 8.734 1.00 0.00 H new ATOM 0 HB2 ASN A 84 3.701 -2.215 8.275 1.00 0.00 H new ATOM 0 HB3 ASN A 84 5.395 -1.829 8.503 1.00 0.00 H new ATOM 0 HD21 ASN A 84 3.670 -1.181 4.839 1.00 0.00 H new ATOM 0 HD22 ASN A 84 2.749 -1.835 6.198 1.00 0.00 H new ATOM 1274 N SER A 85 2.814 -4.512 8.495 1.00 0.00 N ATOM 1275 CA SER A 85 1.545 -5.280 8.364 1.00 0.00 C ATOM 1276 C SER A 85 0.379 -4.312 8.156 1.00 0.00 C ATOM 1277 O SER A 85 -0.772 -4.672 8.306 1.00 0.00 O ATOM 1278 CB SER A 85 1.309 -6.096 9.635 1.00 0.00 C ATOM 1279 OG SER A 85 2.398 -6.990 9.827 1.00 0.00 O ATOM 0 H SER A 85 2.866 -3.893 9.304 1.00 0.00 H new ATOM 0 HA SER A 85 1.615 -5.952 7.508 1.00 0.00 H new ATOM 0 HB2 SER A 85 1.212 -5.433 10.494 1.00 0.00 H new ATOM 0 HB3 SER A 85 0.376 -6.653 9.555 1.00 0.00 H new ATOM 0 HG SER A 85 2.251 -7.514 10.642 1.00 0.00 H new ATOM 1285 N ASP A 86 0.665 -3.086 7.811 1.00 0.00 N ATOM 1286 CA ASP A 86 -0.431 -2.100 7.595 1.00 0.00 C ATOM 1287 C ASP A 86 -0.508 -1.739 6.111 1.00 0.00 C ATOM 1288 O ASP A 86 0.484 -1.416 5.488 1.00 0.00 O ATOM 1289 CB ASP A 86 -0.153 -0.837 8.412 1.00 0.00 C ATOM 1290 CG ASP A 86 0.215 -1.225 9.844 1.00 0.00 C ATOM 1291 OD1 ASP A 86 -0.645 -1.747 10.536 1.00 0.00 O ATOM 1292 OD2 ASP A 86 1.350 -0.995 10.227 1.00 0.00 O ATOM 0 H ASP A 86 1.609 -2.725 7.670 1.00 0.00 H new ATOM 0 HA ASP A 86 -1.378 -2.537 7.913 1.00 0.00 H new ATOM 0 HB2 ASP A 86 0.659 -0.269 7.958 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -1.031 -0.192 8.413 1.00 0.00 H new ATOM 1297 N ARG A 87 -1.680 -1.790 5.542 1.00 0.00 N ATOM 1298 CA ARG A 87 -1.825 -1.449 4.098 1.00 0.00 C ATOM 1299 C ARG A 87 -3.250 -0.962 3.831 1.00 0.00 C ATOM 1300 O ARG A 87 -4.182 -1.334 4.515 1.00 0.00 O ATOM 1301 CB ARG A 87 -1.544 -2.693 3.250 1.00 0.00 C ATOM 1302 CG ARG A 87 -0.034 -2.920 3.157 1.00 0.00 C ATOM 1303 CD ARG A 87 0.350 -3.228 1.707 1.00 0.00 C ATOM 1304 NE ARG A 87 1.160 -4.480 1.657 1.00 0.00 N ATOM 1305 CZ ARG A 87 2.008 -4.752 2.611 1.00 0.00 C ATOM 1306 NH1 ARG A 87 2.811 -3.824 3.055 1.00 0.00 N ATOM 1307 NH2 ARG A 87 2.054 -5.953 3.122 1.00 0.00 N ATOM 0 H ARG A 87 -2.545 -2.053 6.014 1.00 0.00 H new ATOM 0 HA ARG A 87 -1.117 -0.663 3.837 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -2.026 -3.564 3.693 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -1.965 -2.568 2.252 1.00 0.00 H new ATOM 0 HG2 ARG A 87 0.499 -2.035 3.505 1.00 0.00 H new ATOM 0 HG3 ARG A 87 0.261 -3.745 3.805 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -0.548 -3.339 1.099 1.00 0.00 H new ATOM 0 HD3 ARG A 87 0.919 -2.398 1.287 1.00 0.00 H new ATOM 0 HE ARG A 87 1.051 -5.125 0.875 1.00 0.00 H new ATOM 0 HH11 ARG A 87 2.776 -2.886 2.656 1.00 0.00 H new ATOM 0 HH12 ARG A 87 3.474 -4.037 3.801 1.00 0.00 H new ATOM 0 HH21 ARG A 87 1.427 -6.679 2.775 1.00 0.00 H new ATOM 0 HH22 ARG A 87 2.717 -6.165 3.868 1.00 0.00 H new ATOM 1321 N ILE A 88 -3.429 -0.132 2.841 1.00 0.00 N ATOM 1322 CA ILE A 88 -4.793 0.379 2.529 1.00 0.00 C ATOM 1323 C ILE A 88 -5.237 -0.164 1.168 1.00 0.00 C ATOM 1324 O ILE A 88 -4.465 -0.225 0.230 1.00 0.00 O ATOM 1325 CB ILE A 88 -4.764 1.906 2.497 1.00 0.00 C ATOM 1326 CG1 ILE A 88 -6.172 2.446 2.248 1.00 0.00 C ATOM 1327 CG2 ILE A 88 -3.838 2.372 1.378 1.00 0.00 C ATOM 1328 CD1 ILE A 88 -6.099 3.954 1.997 1.00 0.00 C ATOM 0 H ILE A 88 -2.687 0.215 2.233 1.00 0.00 H new ATOM 0 HA ILE A 88 -5.497 0.049 3.293 1.00 0.00 H new ATOM 0 HB ILE A 88 -4.400 2.279 3.454 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -6.620 1.944 1.390 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -6.810 2.239 3.107 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -3.816 3.462 1.354 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -2.832 1.993 1.557 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -4.203 1.995 0.423 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -7.102 4.342 1.819 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -5.668 4.447 2.868 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -5.475 4.148 1.125 1.00 0.00 H new ATOM 1340 N LEU A 89 -6.473 -0.570 1.058 1.00 0.00 N ATOM 1341 CA LEU A 89 -6.972 -1.123 -0.236 1.00 0.00 C ATOM 1342 C LEU A 89 -7.960 -0.142 -0.875 1.00 0.00 C ATOM 1343 O LEU A 89 -9.019 0.109 -0.343 1.00 0.00 O ATOM 1344 CB LEU A 89 -7.693 -2.450 0.026 1.00 0.00 C ATOM 1345 CG LEU A 89 -6.685 -3.524 0.434 1.00 0.00 C ATOM 1346 CD1 LEU A 89 -5.653 -3.703 -0.679 1.00 0.00 C ATOM 1347 CD2 LEU A 89 -5.975 -3.099 1.722 1.00 0.00 C ATOM 0 H LEU A 89 -7.161 -0.543 1.810 1.00 0.00 H new ATOM 0 HA LEU A 89 -6.127 -1.280 -0.907 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -8.436 -2.320 0.813 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -8.229 -2.765 -0.870 1.00 0.00 H new ATOM 0 HG LEU A 89 -7.208 -4.465 0.602 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -4.934 -4.469 -0.389 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -6.157 -4.007 -1.597 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -5.132 -2.761 -0.847 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -5.257 -3.866 2.012 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -5.453 -2.157 1.556 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -6.709 -2.971 2.517 1.00 0.00 H new ATOM 1359 N TYR A 90 -7.642 0.398 -2.021 1.00 0.00 N ATOM 1360 CA TYR A 90 -8.598 1.339 -2.677 1.00 0.00 C ATOM 1361 C TYR A 90 -9.277 0.621 -3.849 1.00 0.00 C ATOM 1362 O TYR A 90 -8.667 -0.178 -4.533 1.00 0.00 O ATOM 1363 CB TYR A 90 -7.869 2.591 -3.184 1.00 0.00 C ATOM 1364 CG TYR A 90 -6.410 2.292 -3.432 1.00 0.00 C ATOM 1365 CD1 TYR A 90 -5.536 2.111 -2.353 1.00 0.00 C ATOM 1366 CD2 TYR A 90 -5.929 2.206 -4.744 1.00 0.00 C ATOM 1367 CE1 TYR A 90 -4.182 1.842 -2.587 1.00 0.00 C ATOM 1368 CE2 TYR A 90 -4.575 1.937 -4.977 1.00 0.00 C ATOM 1369 CZ TYR A 90 -3.702 1.754 -3.899 1.00 0.00 C ATOM 1370 OH TYR A 90 -2.368 1.489 -4.131 1.00 0.00 O ATOM 0 H TYR A 90 -6.772 0.232 -2.527 1.00 0.00 H new ATOM 0 HA TYR A 90 -9.345 1.653 -1.948 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -8.335 2.942 -4.104 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -7.962 3.394 -2.453 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -5.906 2.179 -1.341 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -6.603 2.347 -5.576 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -3.508 1.702 -1.755 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -4.204 1.871 -5.989 1.00 0.00 H new ATOM 0 HH TYR A 90 -2.188 0.541 -3.960 1.00 0.00 H new ATOM 1380 N SER A 91 -10.538 0.884 -4.077 1.00 0.00 N ATOM 1381 CA SER A 91 -11.251 0.196 -5.196 1.00 0.00 C ATOM 1382 C SER A 91 -11.482 1.169 -6.358 1.00 0.00 C ATOM 1383 O SER A 91 -11.230 2.354 -6.252 1.00 0.00 O ATOM 1384 CB SER A 91 -12.598 -0.325 -4.695 1.00 0.00 C ATOM 1385 OG SER A 91 -12.915 -1.534 -5.373 1.00 0.00 O ATOM 0 H SER A 91 -11.103 1.542 -3.540 1.00 0.00 H new ATOM 0 HA SER A 91 -10.640 -0.635 -5.547 1.00 0.00 H new ATOM 0 HB2 SER A 91 -12.557 -0.498 -3.620 1.00 0.00 H new ATOM 0 HB3 SER A 91 -13.376 0.418 -4.869 1.00 0.00 H new ATOM 0 HG SER A 91 -12.845 -2.287 -4.749 1.00 0.00 H new ATOM 1391 N SER A 92 -11.963 0.672 -7.470 1.00 0.00 N ATOM 1392 CA SER A 92 -12.211 1.556 -8.645 1.00 0.00 C ATOM 1393 C SER A 92 -13.302 2.569 -8.310 1.00 0.00 C ATOM 1394 O SER A 92 -13.371 3.639 -8.880 1.00 0.00 O ATOM 1395 CB SER A 92 -12.648 0.709 -9.841 1.00 0.00 C ATOM 1396 OG SER A 92 -13.901 0.102 -9.552 1.00 0.00 O ATOM 0 H SER A 92 -12.195 -0.311 -7.613 1.00 0.00 H new ATOM 0 HA SER A 92 -11.292 2.088 -8.893 1.00 0.00 H new ATOM 0 HB2 SER A 92 -12.729 1.331 -10.732 1.00 0.00 H new ATOM 0 HB3 SER A 92 -11.900 -0.055 -10.053 1.00 0.00 H new ATOM 0 HG SER A 92 -14.186 -0.441 -10.317 1.00 0.00 H new ATOM 1402 N ASP A 93 -14.148 2.241 -7.381 1.00 0.00 N ATOM 1403 CA ASP A 93 -15.227 3.177 -6.991 1.00 0.00 C ATOM 1404 C ASP A 93 -14.718 4.080 -5.868 1.00 0.00 C ATOM 1405 O ASP A 93 -15.479 4.695 -5.150 1.00 0.00 O ATOM 1406 CB ASP A 93 -16.452 2.390 -6.515 1.00 0.00 C ATOM 1407 CG ASP A 93 -16.153 1.732 -5.169 1.00 0.00 C ATOM 1408 OD1 ASP A 93 -15.002 1.747 -4.767 1.00 0.00 O ATOM 1409 OD2 ASP A 93 -17.080 1.220 -4.564 1.00 0.00 O ATOM 0 H ASP A 93 -14.137 1.357 -6.872 1.00 0.00 H new ATOM 0 HA ASP A 93 -15.514 3.785 -7.848 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -17.310 3.056 -6.422 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -16.716 1.630 -7.251 1.00 0.00 H new ATOM 1414 N TRP A 94 -13.423 4.161 -5.724 1.00 0.00 N ATOM 1415 CA TRP A 94 -12.828 5.016 -4.666 1.00 0.00 C ATOM 1416 C TRP A 94 -13.145 4.447 -3.285 1.00 0.00 C ATOM 1417 O TRP A 94 -13.198 5.163 -2.305 1.00 0.00 O ATOM 1418 CB TRP A 94 -13.364 6.443 -4.784 1.00 0.00 C ATOM 1419 CG TRP A 94 -12.393 7.260 -5.572 1.00 0.00 C ATOM 1420 CD1 TRP A 94 -12.726 8.151 -6.533 1.00 0.00 C ATOM 1421 CD2 TRP A 94 -10.937 7.269 -5.489 1.00 0.00 C ATOM 1422 NE1 TRP A 94 -11.566 8.710 -7.044 1.00 0.00 N ATOM 1423 CE2 TRP A 94 -10.438 8.198 -6.433 1.00 0.00 C ATOM 1424 CE3 TRP A 94 -10.010 6.570 -4.693 1.00 0.00 C ATOM 1425 CZ2 TRP A 94 -9.067 8.422 -6.582 1.00 0.00 C ATOM 1426 CZ3 TRP A 94 -8.634 6.792 -4.842 1.00 0.00 C ATOM 1427 CH2 TRP A 94 -8.163 7.716 -5.785 1.00 0.00 C ATOM 0 H TRP A 94 -12.747 3.664 -6.303 1.00 0.00 H new ATOM 0 HA TRP A 94 -11.746 5.033 -4.795 1.00 0.00 H new ATOM 0 HB2 TRP A 94 -14.338 6.441 -5.272 1.00 0.00 H new ATOM 0 HB3 TRP A 94 -13.505 6.876 -3.794 1.00 0.00 H new ATOM 0 HD1 TRP A 94 -13.731 8.388 -6.850 1.00 0.00 H new ATOM 0 HE1 TRP A 94 -11.547 9.414 -7.782 1.00 0.00 H new ATOM 0 HE3 TRP A 94 -10.362 5.857 -3.962 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 -8.709 9.136 -7.309 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 -7.933 6.248 -4.227 1.00 0.00 H new ATOM 0 HH2 TRP A 94 -7.102 7.882 -5.895 1.00 0.00 H new ATOM 1438 N LEU A 95 -13.327 3.159 -3.192 1.00 0.00 N ATOM 1439 CA LEU A 95 -13.605 2.547 -1.865 1.00 0.00 C ATOM 1440 C LEU A 95 -12.274 2.404 -1.133 1.00 0.00 C ATOM 1441 O LEU A 95 -11.454 1.575 -1.480 1.00 0.00 O ATOM 1442 CB LEU A 95 -14.238 1.166 -2.051 1.00 0.00 C ATOM 1443 CG LEU A 95 -15.761 1.287 -2.002 1.00 0.00 C ATOM 1444 CD1 LEU A 95 -16.388 -0.106 -2.083 1.00 0.00 C ATOM 1445 CD2 LEU A 95 -16.177 1.957 -0.689 1.00 0.00 C ATOM 0 H LEU A 95 -13.295 2.506 -3.975 1.00 0.00 H new ATOM 0 HA LEU A 95 -14.294 3.171 -1.295 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -13.928 0.739 -3.005 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -13.892 0.488 -1.270 1.00 0.00 H new ATOM 0 HG LEU A 95 -16.104 1.889 -2.844 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -17.474 -0.019 -2.048 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -16.092 -0.584 -3.017 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -16.045 -0.709 -1.242 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -17.263 2.044 -0.653 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -15.833 1.355 0.152 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -15.731 2.950 -0.630 1.00 0.00 H new ATOM 1457 N ILE A 96 -12.031 3.219 -0.145 1.00 0.00 N ATOM 1458 CA ILE A 96 -10.730 3.131 0.570 1.00 0.00 C ATOM 1459 C ILE A 96 -10.902 2.456 1.929 1.00 0.00 C ATOM 1460 O ILE A 96 -11.487 3.001 2.843 1.00 0.00 O ATOM 1461 CB ILE A 96 -10.158 4.532 0.771 1.00 0.00 C ATOM 1462 CG1 ILE A 96 -10.534 5.414 -0.423 1.00 0.00 C ATOM 1463 CG2 ILE A 96 -8.636 4.439 0.877 1.00 0.00 C ATOM 1464 CD1 ILE A 96 -9.736 6.717 -0.367 1.00 0.00 C ATOM 0 H ILE A 96 -12.672 3.936 0.195 1.00 0.00 H new ATOM 0 HA ILE A 96 -10.046 2.534 -0.033 1.00 0.00 H new ATOM 0 HB ILE A 96 -10.565 4.968 1.683 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -10.328 4.889 -1.356 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -11.603 5.629 -0.408 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -8.220 5.436 1.021 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -8.368 3.808 1.725 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -8.233 4.006 -0.039 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -10.004 7.345 -1.217 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -9.964 7.244 0.559 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -8.670 6.493 -0.403 1.00 0.00 H new ATOM 1476 N TYR A 97 -10.363 1.280 2.070 1.00 0.00 N ATOM 1477 CA TYR A 97 -10.447 0.556 3.365 1.00 0.00 C ATOM 1478 C TYR A 97 -9.041 0.498 3.960 1.00 0.00 C ATOM 1479 O TYR A 97 -8.060 0.567 3.250 1.00 0.00 O ATOM 1480 CB TYR A 97 -10.957 -0.867 3.127 1.00 0.00 C ATOM 1481 CG TYR A 97 -12.467 -0.875 3.126 1.00 0.00 C ATOM 1482 CD1 TYR A 97 -13.165 -0.675 1.929 1.00 0.00 C ATOM 1483 CD2 TYR A 97 -13.167 -1.086 4.319 1.00 0.00 C ATOM 1484 CE1 TYR A 97 -14.566 -0.685 1.927 1.00 0.00 C ATOM 1485 CE2 TYR A 97 -14.566 -1.097 4.317 1.00 0.00 C ATOM 1486 CZ TYR A 97 -15.266 -0.897 3.120 1.00 0.00 C ATOM 1487 OH TYR A 97 -16.646 -0.908 3.118 1.00 0.00 O ATOM 0 H TYR A 97 -9.862 0.784 1.333 1.00 0.00 H new ATOM 0 HA TYR A 97 -11.131 1.067 4.043 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -10.581 -1.243 2.175 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -10.581 -1.533 3.904 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -12.624 -0.513 1.008 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -12.627 -1.240 5.242 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -15.106 -0.529 1.005 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -15.106 -1.260 5.238 1.00 0.00 H new ATOM 0 HH TYR A 97 -16.973 -1.069 4.028 1.00 0.00 H new ATOM 1497 N LYS A 98 -8.922 0.377 5.249 1.00 0.00 N ATOM 1498 CA LYS A 98 -7.560 0.321 5.851 1.00 0.00 C ATOM 1499 C LYS A 98 -7.409 -0.974 6.653 1.00 0.00 C ATOM 1500 O LYS A 98 -8.325 -1.413 7.317 1.00 0.00 O ATOM 1501 CB LYS A 98 -7.363 1.522 6.779 1.00 0.00 C ATOM 1502 CG LYS A 98 -8.643 1.763 7.581 1.00 0.00 C ATOM 1503 CD LYS A 98 -8.284 2.204 9.000 1.00 0.00 C ATOM 1504 CE LYS A 98 -7.848 3.670 8.985 1.00 0.00 C ATOM 1505 NZ LYS A 98 -8.628 4.432 10.001 1.00 0.00 N ATOM 0 H LYS A 98 -9.698 0.315 5.908 1.00 0.00 H new ATOM 0 HA LYS A 98 -6.811 0.347 5.059 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -6.527 1.340 7.454 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -7.114 2.409 6.196 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -9.250 2.526 7.095 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -9.241 0.852 7.613 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -9.142 2.076 9.660 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -7.482 1.579 9.394 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -6.782 3.745 9.198 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -8.006 4.097 7.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -8.331 5.429 9.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -9.642 4.370 9.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -8.456 4.029 10.944 1.00 0.00 H new ATOM 1519 N THR A 99 -6.256 -1.585 6.602 1.00 0.00 N ATOM 1520 CA THR A 99 -6.047 -2.847 7.366 1.00 0.00 C ATOM 1521 C THR A 99 -4.759 -2.732 8.186 1.00 0.00 C ATOM 1522 O THR A 99 -3.686 -2.542 7.651 1.00 0.00 O ATOM 1523 CB THR A 99 -5.934 -4.030 6.398 1.00 0.00 C ATOM 1524 OG1 THR A 99 -5.113 -5.035 6.977 1.00 0.00 O ATOM 1525 CG2 THR A 99 -5.317 -3.564 5.079 1.00 0.00 C ATOM 0 H THR A 99 -5.451 -1.264 6.064 1.00 0.00 H new ATOM 0 HA THR A 99 -6.894 -3.011 8.032 1.00 0.00 H new ATOM 0 HB THR A 99 -6.928 -4.434 6.205 1.00 0.00 H new ATOM 0 HG1 THR A 99 -4.171 -4.828 6.804 1.00 0.00 H new ATOM 0 HG21 THR A 99 -5.239 -4.409 4.395 1.00 0.00 H new ATOM 0 HG22 THR A 99 -5.948 -2.794 4.634 1.00 0.00 H new ATOM 0 HG23 THR A 99 -4.324 -3.156 5.266 1.00 0.00 H new ATOM 1533 N THR A 100 -4.858 -2.845 9.483 1.00 0.00 N ATOM 1534 CA THR A 100 -3.640 -2.741 10.336 1.00 0.00 C ATOM 1535 C THR A 100 -3.238 -4.134 10.821 1.00 0.00 C ATOM 1536 O THR A 100 -2.654 -4.292 11.875 1.00 0.00 O ATOM 1537 CB THR A 100 -3.939 -1.848 11.543 1.00 0.00 C ATOM 1538 OG1 THR A 100 -5.075 -2.350 12.231 1.00 0.00 O ATOM 1539 CG2 THR A 100 -4.215 -0.421 11.070 1.00 0.00 C ATOM 0 H THR A 100 -5.729 -3.005 9.988 1.00 0.00 H new ATOM 0 HA THR A 100 -2.825 -2.309 9.756 1.00 0.00 H new ATOM 0 HB THR A 100 -3.080 -1.844 12.214 1.00 0.00 H new ATOM 0 HG1 THR A 100 -5.267 -1.780 13.005 1.00 0.00 H new ATOM 0 HG21 THR A 100 -4.428 0.213 11.931 1.00 0.00 H new ATOM 0 HG22 THR A 100 -3.341 -0.037 10.543 1.00 0.00 H new ATOM 0 HG23 THR A 100 -5.073 -0.420 10.398 1.00 0.00 H new ATOM 1547 N ASP A 101 -3.548 -5.148 10.061 1.00 0.00 N ATOM 1548 CA ASP A 101 -3.186 -6.533 10.478 1.00 0.00 C ATOM 1549 C ASP A 101 -2.903 -7.382 9.237 1.00 0.00 C ATOM 1550 O ASP A 101 -2.987 -8.593 9.268 1.00 0.00 O ATOM 1551 CB ASP A 101 -4.333 -7.171 11.280 1.00 0.00 C ATOM 1552 CG ASP A 101 -5.504 -6.190 11.416 1.00 0.00 C ATOM 1553 OD1 ASP A 101 -5.899 -5.624 10.410 1.00 0.00 O ATOM 1554 OD2 ASP A 101 -5.983 -6.022 12.525 1.00 0.00 O ATOM 0 H ASP A 101 -4.037 -5.078 9.168 1.00 0.00 H new ATOM 0 HA ASP A 101 -2.297 -6.488 11.108 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -4.669 -8.081 10.784 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -3.976 -7.460 12.269 1.00 0.00 H new ATOM 1559 N HIS A 102 -2.566 -6.752 8.144 1.00 0.00 N ATOM 1560 CA HIS A 102 -2.273 -7.519 6.899 1.00 0.00 C ATOM 1561 C HIS A 102 -3.585 -7.975 6.255 1.00 0.00 C ATOM 1562 O HIS A 102 -3.995 -9.110 6.397 1.00 0.00 O ATOM 1563 CB HIS A 102 -1.421 -8.743 7.239 1.00 0.00 C ATOM 1564 CG HIS A 102 -0.725 -9.229 5.998 1.00 0.00 C ATOM 1565 ND1 HIS A 102 -1.300 -10.155 5.141 1.00 0.00 N ATOM 1566 CD2 HIS A 102 0.500 -8.927 5.454 1.00 0.00 C ATOM 1567 CE1 HIS A 102 -0.430 -10.376 4.138 1.00 0.00 C ATOM 1568 NE2 HIS A 102 0.684 -9.652 4.280 1.00 0.00 N ATOM 0 H HIS A 102 -2.481 -5.739 8.059 1.00 0.00 H new ATOM 0 HA HIS A 102 -1.730 -6.880 6.203 1.00 0.00 H new ATOM 0 HB2 HIS A 102 -0.688 -8.488 8.004 1.00 0.00 H new ATOM 0 HB3 HIS A 102 -2.049 -9.534 7.650 1.00 0.00 H new ATOM 0 HD2 HIS A 102 1.212 -8.232 5.874 1.00 0.00 H new ATOM 0 HE1 HIS A 102 -0.610 -11.056 3.318 1.00 0.00 H new ATOM 0 HE2 HIS A 102 1.495 -9.634 3.661 1.00 0.00 H new ATOM 1576 N TYR A 103 -4.243 -7.100 5.546 1.00 0.00 N ATOM 1577 CA TYR A 103 -5.523 -7.486 4.889 1.00 0.00 C ATOM 1578 C TYR A 103 -6.385 -8.283 5.871 1.00 0.00 C ATOM 1579 O TYR A 103 -6.832 -9.374 5.577 1.00 0.00 O ATOM 1580 CB TYR A 103 -5.221 -8.345 3.659 1.00 0.00 C ATOM 1581 CG TYR A 103 -4.031 -7.774 2.927 1.00 0.00 C ATOM 1582 CD1 TYR A 103 -4.089 -6.480 2.397 1.00 0.00 C ATOM 1583 CD2 TYR A 103 -2.867 -8.539 2.778 1.00 0.00 C ATOM 1584 CE1 TYR A 103 -2.985 -5.950 1.718 1.00 0.00 C ATOM 1585 CE2 TYR A 103 -1.763 -8.010 2.100 1.00 0.00 C ATOM 1586 CZ TYR A 103 -1.821 -6.716 1.570 1.00 0.00 C ATOM 1587 OH TYR A 103 -0.733 -6.195 0.901 1.00 0.00 O ATOM 0 H TYR A 103 -3.950 -6.135 5.393 1.00 0.00 H new ATOM 0 HA TYR A 103 -6.061 -6.588 4.585 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -5.017 -9.372 3.961 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -6.088 -8.373 2.999 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -4.986 -5.890 2.512 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -2.822 -9.538 3.187 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -3.031 -4.952 1.309 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -0.866 -8.600 1.986 1.00 0.00 H new ATOM 0 HH TYR A 103 -0.954 -6.086 -0.048 1.00 0.00 H new ATOM 1597 N GLN A 104 -6.627 -7.746 7.037 1.00 0.00 N ATOM 1598 CA GLN A 104 -7.463 -8.468 8.034 1.00 0.00 C ATOM 1599 C GLN A 104 -8.679 -7.618 8.378 1.00 0.00 C ATOM 1600 O GLN A 104 -9.763 -7.815 7.865 1.00 0.00 O ATOM 1601 CB GLN A 104 -6.643 -8.721 9.302 1.00 0.00 C ATOM 1602 CG GLN A 104 -6.483 -10.227 9.516 1.00 0.00 C ATOM 1603 CD GLN A 104 -7.813 -10.820 9.987 1.00 0.00 C ATOM 1604 OE1 GLN A 104 -8.401 -11.638 9.308 1.00 0.00 O ATOM 1605 NE2 GLN A 104 -8.314 -10.439 11.129 1.00 0.00 N ATOM 0 H GLN A 104 -6.280 -6.836 7.341 1.00 0.00 H new ATOM 0 HA GLN A 104 -7.788 -9.421 7.617 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -5.664 -8.250 9.215 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -7.137 -8.271 10.163 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -6.168 -10.705 8.589 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -5.705 -10.419 10.255 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -7.820 -9.752 11.699 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -9.200 -10.828 11.452 1.00 0.00 H new ATOM 1614 N THR A 105 -8.496 -6.671 9.240 1.00 0.00 N ATOM 1615 CA THR A 105 -9.623 -5.780 9.633 1.00 0.00 C ATOM 1616 C THR A 105 -9.655 -4.576 8.692 1.00 0.00 C ATOM 1617 O THR A 105 -8.835 -3.684 8.782 1.00 0.00 O ATOM 1618 CB THR A 105 -9.420 -5.301 11.072 1.00 0.00 C ATOM 1619 OG1 THR A 105 -8.331 -4.389 11.117 1.00 0.00 O ATOM 1620 CG2 THR A 105 -9.124 -6.498 11.975 1.00 0.00 C ATOM 0 H THR A 105 -7.607 -6.469 9.698 1.00 0.00 H new ATOM 0 HA THR A 105 -10.565 -6.325 9.567 1.00 0.00 H new ATOM 0 HB THR A 105 -10.325 -4.804 11.420 1.00 0.00 H new ATOM 0 HG1 THR A 105 -8.529 -3.615 10.549 1.00 0.00 H new ATOM 0 HG21 THR A 105 -8.980 -6.154 12.999 1.00 0.00 H new ATOM 0 HG22 THR A 105 -9.961 -7.195 11.941 1.00 0.00 H new ATOM 0 HG23 THR A 105 -8.220 -6.999 11.630 1.00 0.00 H new ATOM 1628 N PHE A 106 -10.590 -4.546 7.783 1.00 0.00 N ATOM 1629 CA PHE A 106 -10.663 -3.402 6.831 1.00 0.00 C ATOM 1630 C PHE A 106 -11.671 -2.370 7.335 1.00 0.00 C ATOM 1631 O PHE A 106 -12.818 -2.678 7.592 1.00 0.00 O ATOM 1632 CB PHE A 106 -11.102 -3.912 5.460 1.00 0.00 C ATOM 1633 CG PHE A 106 -10.127 -4.958 4.979 1.00 0.00 C ATOM 1634 CD1 PHE A 106 -10.306 -6.298 5.341 1.00 0.00 C ATOM 1635 CD2 PHE A 106 -9.045 -4.589 4.172 1.00 0.00 C ATOM 1636 CE1 PHE A 106 -9.404 -7.270 4.895 1.00 0.00 C ATOM 1637 CE2 PHE A 106 -8.142 -5.561 3.726 1.00 0.00 C ATOM 1638 CZ PHE A 106 -8.322 -6.901 4.088 1.00 0.00 C ATOM 0 H PHE A 106 -11.305 -5.262 7.658 1.00 0.00 H new ATOM 0 HA PHE A 106 -9.681 -2.936 6.753 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -12.105 -4.334 5.521 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -11.146 -3.086 4.750 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -11.141 -6.582 5.965 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -8.907 -3.555 3.893 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -9.543 -8.304 5.173 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -7.307 -5.277 3.103 1.00 0.00 H new ATOM 0 HZ PHE A 106 -7.625 -7.651 3.744 1.00 0.00 H new ATOM 1648 N THR A 107 -11.251 -1.143 7.466 1.00 0.00 N ATOM 1649 CA THR A 107 -12.181 -0.084 7.941 1.00 0.00 C ATOM 1650 C THR A 107 -12.452 0.890 6.794 1.00 0.00 C ATOM 1651 O THR A 107 -11.551 1.284 6.078 1.00 0.00 O ATOM 1652 CB THR A 107 -11.546 0.669 9.114 1.00 0.00 C ATOM 1653 OG1 THR A 107 -11.192 -0.257 10.131 1.00 0.00 O ATOM 1654 CG2 THR A 107 -12.545 1.684 9.670 1.00 0.00 C ATOM 0 H THR A 107 -10.302 -0.828 7.264 1.00 0.00 H new ATOM 0 HA THR A 107 -13.117 -0.536 8.270 1.00 0.00 H new ATOM 0 HB THR A 107 -10.653 1.192 8.772 1.00 0.00 H new ATOM 0 HG1 THR A 107 -10.784 0.222 10.882 1.00 0.00 H new ATOM 0 HG21 THR A 107 -12.093 2.220 10.505 1.00 0.00 H new ATOM 0 HG22 THR A 107 -12.816 2.393 8.888 1.00 0.00 H new ATOM 0 HG23 THR A 107 -13.439 1.164 10.014 1.00 0.00 H new ATOM 1662 N LYS A 108 -13.685 1.279 6.610 1.00 0.00 N ATOM 1663 CA LYS A 108 -14.012 2.225 5.506 1.00 0.00 C ATOM 1664 C LYS A 108 -13.669 3.652 5.937 1.00 0.00 C ATOM 1665 O LYS A 108 -14.115 4.124 6.963 1.00 0.00 O ATOM 1666 CB LYS A 108 -15.505 2.133 5.182 1.00 0.00 C ATOM 1667 CG LYS A 108 -15.880 3.221 4.174 1.00 0.00 C ATOM 1668 CD LYS A 108 -17.216 2.868 3.515 1.00 0.00 C ATOM 1669 CE LYS A 108 -17.495 3.840 2.368 1.00 0.00 C ATOM 1670 NZ LYS A 108 -17.310 5.240 2.846 1.00 0.00 N ATOM 0 H LYS A 108 -14.479 0.982 7.177 1.00 0.00 H new ATOM 0 HA LYS A 108 -13.431 1.965 4.621 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -15.739 1.149 4.774 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -16.093 2.249 6.093 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -15.953 4.186 4.675 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -15.102 3.314 3.416 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -17.189 1.845 3.140 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -18.020 2.917 4.250 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -16.823 3.637 1.534 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -18.511 3.702 1.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -17.890 5.883 2.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -17.602 5.308 3.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -16.309 5.507 2.760 1.00 0.00 H new ATOM 1684 N ILE A 109 -12.878 4.342 5.161 1.00 0.00 N ATOM 1685 CA ILE A 109 -12.506 5.737 5.528 1.00 0.00 C ATOM 1686 C ILE A 109 -12.741 6.659 4.330 1.00 0.00 C ATOM 1687 O ILE A 109 -12.309 7.794 4.316 1.00 0.00 O ATOM 1688 CB ILE A 109 -11.030 5.783 5.923 1.00 0.00 C ATOM 1689 CG1 ILE A 109 -10.181 5.188 4.797 1.00 0.00 C ATOM 1690 CG2 ILE A 109 -10.817 4.970 7.202 1.00 0.00 C ATOM 1691 CD1 ILE A 109 -8.727 5.070 5.259 1.00 0.00 C ATOM 0 H ILE A 109 -12.474 4.000 4.289 1.00 0.00 H new ATOM 0 HA ILE A 109 -13.118 6.068 6.367 1.00 0.00 H new ATOM 0 HB ILE A 109 -10.734 6.818 6.095 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -10.565 4.207 4.517 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -10.241 5.819 3.910 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -9.764 5.003 7.483 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -11.421 5.391 8.006 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -11.114 3.936 7.029 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -8.123 4.646 4.456 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -8.346 6.058 5.517 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -8.675 4.422 6.134 1.00 0.00 H new ATOM 1703 N ARG A 110 -13.423 6.182 3.325 1.00 0.00 N ATOM 1704 CA ARG A 110 -13.684 7.035 2.131 1.00 0.00 C ATOM 1705 C ARG A 110 -14.349 6.195 1.039 1.00 0.00 C ATOM 1706 O ARG A 110 -14.570 5.018 1.274 1.00 0.00 O ATOM 1707 CB ARG A 110 -12.360 7.597 1.607 1.00 0.00 C ATOM 1708 CG ARG A 110 -12.390 9.124 1.680 1.00 0.00 C ATOM 1709 CD ARG A 110 -11.148 9.626 2.419 1.00 0.00 C ATOM 1710 NE ARG A 110 -11.554 10.606 3.465 1.00 0.00 N ATOM 1711 CZ ARG A 110 -10.716 10.938 4.409 1.00 0.00 C ATOM 1712 NH1 ARG A 110 -9.941 10.033 4.941 1.00 0.00 N ATOM 1713 NH2 ARG A 110 -10.655 12.175 4.821 1.00 0.00 N ATOM 1714 OXT ARG A 110 -14.626 6.743 -0.016 1.00 0.00 O ATOM 0 H ARG A 110 -13.810 5.240 3.279 1.00 0.00 H new ATOM 0 HA ARG A 110 -14.344 7.857 2.409 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -11.529 7.210 2.197 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -12.197 7.275 0.579 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -12.423 9.546 0.675 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -13.291 9.456 2.195 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -10.620 8.789 2.875 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -10.458 10.093 1.716 1.00 0.00 H new ATOM 0 HE ARG A 110 -12.487 11.018 3.443 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -9.990 9.066 4.619 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -9.286 10.292 5.679 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -11.262 12.882 4.405 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -10.000 12.435 5.559 1.00 0.00 H new