USER MOD reduce.3.24.130724 H: found=0, std=0, add=735, rem=0, adj=25 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= -0.409 K(o=-0.41,f=-1.8) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.0178 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.946 K(o=-0.95,f=-4.4!) USER MOD Single : A 16 THR OG1 : rot 68:sc= 0.633 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 HIS :FLIP no HD1:sc= -1.17 F(o=-2.4,f=-1.2) USER MOD Single : A 19 LYS NZ :NH3+ 166:sc= -0.0138 (180deg=-0.289) USER MOD Single : A 23 ASN : amide:sc= -3.68 K(o=-3.7,f=-6.6!) USER MOD Single : A 24 TYR OH : rot 33:sc= 0.208 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.0193 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 X(o=0,f=-0.31) USER MOD Single : A 41 ASN : amide:sc= -1.62! C(o=-1.6!,f=-3.2!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 14:sc= 0.671 USER MOD Single : A 77 ASN : amide:sc= -0.664 K(o=-0.66,f=-4.1!) USER MOD Single : A 78 TYR OH : rot -69:sc= -1.89! USER MOD Single : A 79 THR OG1 : rot 180:sc= 0.0241 USER MOD Single : A 80 SER OG : rot 180:sc= -0.486 USER MOD Single : A 84 ASN : amide:sc= -2.3! C(o=-2.3!,f=-5.7!) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 90 TYR OH : rot 180:sc= -1.83! USER MOD Single : A 91 SER OG : rot 121:sc= 0.428 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 97 TYR OH : rot 180:sc= -1.19 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 THR OG1 : rot 39:sc= 0.133 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0.0124 USER MOD Single : A 102 HIS : no HE2:sc= -0.236 X(o=-0.24,f=-0.51) USER MOD Single : A 103 TYR OH : rot -77:sc= -4.55! USER MOD Single : A 104 GLN : amide:sc= -0.1 X(o=-0.1,f=-0.0032) USER MOD Single : A 105 THR OG1 : rot 116:sc= 0.784 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 46 N ILE A 4 3.411 12.102 2.939 1.00 0.00 N ATOM 47 CA ILE A 4 2.074 11.453 2.830 1.00 0.00 C ATOM 48 C ILE A 4 2.250 9.937 2.721 1.00 0.00 C ATOM 49 O ILE A 4 2.233 9.377 1.643 1.00 0.00 O ATOM 50 CB ILE A 4 1.355 11.975 1.583 1.00 0.00 C ATOM 51 CG1 ILE A 4 1.026 13.458 1.769 1.00 0.00 C ATOM 52 CG2 ILE A 4 0.060 11.189 1.373 1.00 0.00 C ATOM 53 CD1 ILE A 4 2.059 14.307 1.026 1.00 0.00 C ATOM 0 HA ILE A 4 1.483 11.687 3.715 1.00 0.00 H new ATOM 0 HB ILE A 4 2.000 11.851 0.713 1.00 0.00 H new ATOM 0 HG12 ILE A 4 0.026 13.670 1.391 1.00 0.00 H new ATOM 0 HG13 ILE A 4 1.026 13.711 2.829 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -0.451 11.561 0.485 1.00 0.00 H new ATOM 0 HG22 ILE A 4 0.293 10.132 1.242 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -0.586 11.313 2.242 1.00 0.00 H new ATOM 0 HD11 ILE A 4 1.825 15.363 1.158 1.00 0.00 H new ATOM 0 HD12 ILE A 4 3.053 14.103 1.425 1.00 0.00 H new ATOM 0 HD13 ILE A 4 2.037 14.061 -0.036 1.00 0.00 H new ATOM 65 N ASN A 5 2.420 9.268 3.829 1.00 0.00 N ATOM 66 CA ASN A 5 2.597 7.790 3.787 1.00 0.00 C ATOM 67 C ASN A 5 1.795 7.145 4.919 1.00 0.00 C ATOM 68 O ASN A 5 2.254 6.231 5.574 1.00 0.00 O ATOM 69 CB ASN A 5 4.080 7.450 3.954 1.00 0.00 C ATOM 70 CG ASN A 5 4.523 7.781 5.380 1.00 0.00 C ATOM 71 OD1 ASN A 5 4.448 8.917 5.804 1.00 0.00 O ATOM 72 ND2 ASN A 5 4.984 6.828 6.144 1.00 0.00 N ATOM 0 H ASN A 5 2.444 9.682 4.761 1.00 0.00 H new ATOM 0 HA ASN A 5 2.241 7.409 2.830 1.00 0.00 H new ATOM 0 HB2 ASN A 5 4.247 6.393 3.746 1.00 0.00 H new ATOM 0 HB3 ASN A 5 4.676 8.014 3.237 1.00 0.00 H new ATOM 0 HD21 ASN A 5 5.281 7.037 7.097 1.00 0.00 H new ATOM 0 HD22 ASN A 5 5.047 5.874 5.788 1.00 0.00 H new ATOM 79 N THR A 6 0.600 7.611 5.152 1.00 0.00 N ATOM 80 CA THR A 6 -0.232 7.023 6.241 1.00 0.00 C ATOM 81 C THR A 6 -1.609 6.654 5.687 1.00 0.00 C ATOM 82 O THR A 6 -1.826 6.644 4.492 1.00 0.00 O ATOM 83 CB THR A 6 -0.393 8.045 7.368 1.00 0.00 C ATOM 84 OG1 THR A 6 -0.697 9.317 6.813 1.00 0.00 O ATOM 85 CG2 THR A 6 0.904 8.132 8.173 1.00 0.00 C ATOM 0 H THR A 6 0.162 8.374 4.636 1.00 0.00 H new ATOM 0 HA THR A 6 0.256 6.129 6.629 1.00 0.00 H new ATOM 0 HB THR A 6 -1.204 7.733 8.027 1.00 0.00 H new ATOM 0 HG1 THR A 6 -0.802 9.972 7.534 1.00 0.00 H new ATOM 0 HG21 THR A 6 0.786 8.861 8.975 1.00 0.00 H new ATOM 0 HG22 THR A 6 1.133 7.156 8.600 1.00 0.00 H new ATOM 0 HG23 THR A 6 1.719 8.442 7.518 1.00 0.00 H new ATOM 93 N PHE A 7 -2.543 6.349 6.547 1.00 0.00 N ATOM 94 CA PHE A 7 -3.904 5.981 6.069 1.00 0.00 C ATOM 95 C PHE A 7 -4.664 7.246 5.668 1.00 0.00 C ATOM 96 O PHE A 7 -5.199 7.342 4.583 1.00 0.00 O ATOM 97 CB PHE A 7 -4.659 5.262 7.187 1.00 0.00 C ATOM 98 CG PHE A 7 -4.009 3.928 7.453 1.00 0.00 C ATOM 99 CD1 PHE A 7 -3.982 2.950 6.453 1.00 0.00 C ATOM 100 CD2 PHE A 7 -3.430 3.669 8.701 1.00 0.00 C ATOM 101 CE1 PHE A 7 -3.377 1.712 6.699 1.00 0.00 C ATOM 102 CE2 PHE A 7 -2.825 2.432 8.948 1.00 0.00 C ATOM 103 CZ PHE A 7 -2.798 1.452 7.947 1.00 0.00 C ATOM 0 H PHE A 7 -2.421 6.339 7.560 1.00 0.00 H new ATOM 0 HA PHE A 7 -3.820 5.321 5.206 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -4.654 5.868 8.093 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -5.702 5.121 6.904 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -4.428 3.150 5.490 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -3.450 4.424 9.473 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -3.357 0.958 5.926 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -2.378 2.232 9.911 1.00 0.00 H new ATOM 0 HZ PHE A 7 -2.331 0.497 8.138 1.00 0.00 H new ATOM 113 N ASP A 8 -4.718 8.218 6.536 1.00 0.00 N ATOM 114 CA ASP A 8 -5.443 9.477 6.202 1.00 0.00 C ATOM 115 C ASP A 8 -4.651 10.272 5.158 1.00 0.00 C ATOM 116 O ASP A 8 -5.209 10.845 4.242 1.00 0.00 O ATOM 117 CB ASP A 8 -5.604 10.321 7.468 1.00 0.00 C ATOM 118 CG ASP A 8 -6.997 10.096 8.059 1.00 0.00 C ATOM 119 OD1 ASP A 8 -7.254 8.993 8.516 1.00 0.00 O ATOM 120 OD2 ASP A 8 -7.783 11.029 8.046 1.00 0.00 O ATOM 0 H ASP A 8 -4.292 8.195 7.462 1.00 0.00 H new ATOM 0 HA ASP A 8 -6.424 9.230 5.797 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -4.840 10.051 8.197 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -5.463 11.376 7.234 1.00 0.00 H new ATOM 125 N GLY A 9 -3.352 10.319 5.295 1.00 0.00 N ATOM 126 CA GLY A 9 -2.523 11.086 4.323 1.00 0.00 C ATOM 127 C GLY A 9 -2.571 10.414 2.952 1.00 0.00 C ATOM 128 O GLY A 9 -2.841 11.047 1.951 1.00 0.00 O ATOM 0 H GLY A 9 -2.830 9.858 6.040 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -2.889 12.110 4.248 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -1.493 11.141 4.675 1.00 0.00 H new ATOM 132 N VAL A 10 -2.308 9.139 2.895 1.00 0.00 N ATOM 133 CA VAL A 10 -2.338 8.438 1.580 1.00 0.00 C ATOM 134 C VAL A 10 -3.759 8.473 1.021 1.00 0.00 C ATOM 135 O VAL A 10 -3.969 8.730 -0.146 1.00 0.00 O ATOM 136 CB VAL A 10 -1.888 6.987 1.757 1.00 0.00 C ATOM 137 CG1 VAL A 10 -1.902 6.280 0.400 1.00 0.00 C ATOM 138 CG2 VAL A 10 -0.470 6.961 2.329 1.00 0.00 C ATOM 0 H VAL A 10 -2.075 8.554 3.697 1.00 0.00 H new ATOM 0 HA VAL A 10 -1.662 8.938 0.886 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.566 6.476 2.440 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -1.581 5.246 0.525 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -2.912 6.300 -0.010 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -1.223 6.790 -0.283 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.148 5.927 2.456 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.208 7.471 1.645 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.458 7.466 3.295 1.00 0.00 H new ATOM 148 N ALA A 11 -4.738 8.231 1.847 1.00 0.00 N ATOM 149 CA ALA A 11 -6.144 8.269 1.359 1.00 0.00 C ATOM 150 C ALA A 11 -6.403 9.645 0.749 1.00 0.00 C ATOM 151 O ALA A 11 -7.044 9.776 -0.275 1.00 0.00 O ATOM 152 CB ALA A 11 -7.102 8.038 2.530 1.00 0.00 C ATOM 0 H ALA A 11 -4.626 8.009 2.836 1.00 0.00 H new ATOM 0 HA ALA A 11 -6.304 7.490 0.613 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -8.130 8.066 2.170 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -6.901 7.065 2.978 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -6.958 8.818 3.277 1.00 0.00 H new ATOM 158 N ASP A 12 -5.894 10.673 1.372 1.00 0.00 N ATOM 159 CA ASP A 12 -6.090 12.046 0.835 1.00 0.00 C ATOM 160 C ASP A 12 -5.444 12.145 -0.547 1.00 0.00 C ATOM 161 O ASP A 12 -6.080 12.504 -1.518 1.00 0.00 O ATOM 162 CB ASP A 12 -5.428 13.056 1.772 1.00 0.00 C ATOM 163 CG ASP A 12 -6.501 13.790 2.578 1.00 0.00 C ATOM 164 OD1 ASP A 12 -7.610 13.906 2.083 1.00 0.00 O ATOM 165 OD2 ASP A 12 -6.195 14.226 3.675 1.00 0.00 O ATOM 0 H ASP A 12 -5.349 10.619 2.233 1.00 0.00 H new ATOM 0 HA ASP A 12 -7.156 12.259 0.759 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -4.739 12.545 2.445 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -4.840 13.770 1.196 1.00 0.00 H new ATOM 170 N TYR A 13 -4.181 11.828 -0.643 1.00 0.00 N ATOM 171 CA TYR A 13 -3.493 11.904 -1.963 1.00 0.00 C ATOM 172 C TYR A 13 -4.222 11.011 -2.968 1.00 0.00 C ATOM 173 O TYR A 13 -4.159 11.223 -4.163 1.00 0.00 O ATOM 174 CB TYR A 13 -2.047 11.428 -1.810 1.00 0.00 C ATOM 175 CG TYR A 13 -1.242 11.869 -3.010 1.00 0.00 C ATOM 176 CD1 TYR A 13 -1.225 11.084 -4.169 1.00 0.00 C ATOM 177 CD2 TYR A 13 -0.513 13.063 -2.961 1.00 0.00 C ATOM 178 CE1 TYR A 13 -0.477 11.493 -5.279 1.00 0.00 C ATOM 179 CE2 TYR A 13 0.234 13.472 -4.072 1.00 0.00 C ATOM 180 CZ TYR A 13 0.252 12.687 -5.231 1.00 0.00 C ATOM 181 OH TYR A 13 0.989 13.089 -6.326 1.00 0.00 O ATOM 0 H TYR A 13 -3.597 11.520 0.134 1.00 0.00 H new ATOM 0 HA TYR A 13 -3.500 12.934 -2.321 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -1.613 11.837 -0.897 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -2.018 10.342 -1.718 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -1.789 10.164 -4.207 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -0.527 13.668 -2.067 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -0.462 10.887 -6.173 1.00 0.00 H new ATOM 0 HE2 TYR A 13 0.796 14.393 -4.035 1.00 0.00 H new ATOM 0 HH TYR A 13 1.434 13.939 -6.127 1.00 0.00 H new ATOM 191 N LEU A 14 -4.919 10.015 -2.491 1.00 0.00 N ATOM 192 CA LEU A 14 -5.657 9.108 -3.412 1.00 0.00 C ATOM 193 C LEU A 14 -6.856 9.857 -3.995 1.00 0.00 C ATOM 194 O LEU A 14 -6.947 10.069 -5.185 1.00 0.00 O ATOM 195 CB LEU A 14 -6.138 7.878 -2.638 1.00 0.00 C ATOM 196 CG LEU A 14 -5.074 6.778 -2.704 1.00 0.00 C ATOM 197 CD1 LEU A 14 -5.074 5.987 -1.395 1.00 0.00 C ATOM 198 CD2 LEU A 14 -5.389 5.829 -3.863 1.00 0.00 C ATOM 0 H LEU A 14 -5.008 9.791 -1.500 1.00 0.00 H new ATOM 0 HA LEU A 14 -5.001 8.786 -4.221 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -6.336 8.144 -1.600 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -7.076 7.516 -3.058 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.096 7.233 -2.858 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.317 5.204 -1.443 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -4.851 6.657 -0.565 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -6.054 5.535 -1.243 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.631 5.047 -3.909 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -6.368 5.377 -3.707 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.392 6.387 -4.799 1.00 0.00 H new ATOM 210 N GLN A 15 -7.775 10.265 -3.166 1.00 0.00 N ATOM 211 CA GLN A 15 -8.959 11.011 -3.680 1.00 0.00 C ATOM 212 C GLN A 15 -8.524 12.409 -4.131 1.00 0.00 C ATOM 213 O GLN A 15 -9.304 13.167 -4.671 1.00 0.00 O ATOM 214 CB GLN A 15 -10.006 11.133 -2.572 1.00 0.00 C ATOM 215 CG GLN A 15 -10.514 9.740 -2.196 1.00 0.00 C ATOM 216 CD GLN A 15 -11.918 9.852 -1.601 1.00 0.00 C ATOM 217 OE1 GLN A 15 -12.074 10.037 -0.411 1.00 0.00 O ATOM 218 NE2 GLN A 15 -12.955 9.748 -2.387 1.00 0.00 N ATOM 0 H GLN A 15 -7.759 10.115 -2.157 1.00 0.00 H new ATOM 0 HA GLN A 15 -9.389 10.474 -4.526 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -9.573 11.622 -1.699 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -10.835 11.756 -2.907 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -10.531 9.098 -3.076 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -9.839 9.277 -1.477 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -12.824 9.593 -3.387 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -13.896 9.822 -2.002 1.00 0.00 H new ATOM 227 N THR A 16 -7.285 12.759 -3.905 1.00 0.00 N ATOM 228 CA THR A 16 -6.803 14.110 -4.311 1.00 0.00 C ATOM 229 C THR A 16 -6.221 14.053 -5.718 1.00 0.00 C ATOM 230 O THR A 16 -6.776 14.583 -6.660 1.00 0.00 O ATOM 231 CB THR A 16 -5.724 14.578 -3.332 1.00 0.00 C ATOM 232 OG1 THR A 16 -6.300 14.767 -2.048 1.00 0.00 O ATOM 233 CG2 THR A 16 -5.123 15.897 -3.823 1.00 0.00 C ATOM 0 H THR A 16 -6.586 12.167 -3.456 1.00 0.00 H new ATOM 0 HA THR A 16 -7.640 14.809 -4.299 1.00 0.00 H new ATOM 0 HB THR A 16 -4.939 13.824 -3.270 1.00 0.00 H new ATOM 0 HG1 THR A 16 -6.568 13.900 -1.679 1.00 0.00 H new ATOM 0 HG21 THR A 16 -4.355 16.229 -3.125 1.00 0.00 H new ATOM 0 HG22 THR A 16 -4.679 15.750 -4.808 1.00 0.00 H new ATOM 0 HG23 THR A 16 -5.906 16.652 -3.887 1.00 0.00 H new ATOM 241 N TYR A 17 -5.102 13.418 -5.859 1.00 0.00 N ATOM 242 CA TYR A 17 -4.458 13.319 -7.201 1.00 0.00 C ATOM 243 C TYR A 17 -4.966 12.070 -7.924 1.00 0.00 C ATOM 244 O TYR A 17 -4.667 11.845 -9.079 1.00 0.00 O ATOM 245 CB TYR A 17 -2.941 13.232 -7.030 1.00 0.00 C ATOM 246 CG TYR A 17 -2.427 14.534 -6.463 1.00 0.00 C ATOM 247 CD1 TYR A 17 -2.058 15.575 -7.323 1.00 0.00 C ATOM 248 CD2 TYR A 17 -2.320 14.701 -5.077 1.00 0.00 C ATOM 249 CE1 TYR A 17 -1.584 16.783 -6.798 1.00 0.00 C ATOM 250 CE2 TYR A 17 -1.846 15.908 -4.552 1.00 0.00 C ATOM 251 CZ TYR A 17 -1.478 16.950 -5.412 1.00 0.00 C ATOM 252 OH TYR A 17 -1.011 18.140 -4.894 1.00 0.00 O ATOM 0 H TYR A 17 -4.597 12.958 -5.102 1.00 0.00 H new ATOM 0 HA TYR A 17 -4.708 14.201 -7.790 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -2.685 12.407 -6.366 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -2.466 13.028 -7.990 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -2.139 15.446 -8.392 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -2.603 13.898 -4.413 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -1.300 17.586 -7.462 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -1.764 16.036 -3.483 1.00 0.00 H new ATOM 0 HH TYR A 17 -1.001 18.089 -3.915 1.00 0.00 H new ATOM 262 N HIS A 18 -5.739 11.262 -7.254 1.00 0.00 N ATOM 263 CA HIS A 18 -6.275 10.031 -7.900 1.00 0.00 C ATOM 264 C HIS A 18 -5.118 9.158 -8.390 1.00 0.00 C ATOM 265 O HIS A 18 -5.017 8.837 -9.557 1.00 0.00 O ATOM 266 CB HIS A 18 -7.171 10.426 -9.074 1.00 0.00 C ATOM 267 CG HIS A 18 -8.479 10.935 -8.533 1.00 0.00 C ATOM 268 ND1 HIS A 18 -8.847 11.362 -7.281 1.00 0.00 N flip ATOM 269 CD2 HIS A 18 -9.617 11.041 -9.318 1.00 0.00 C flip ATOM 270 CE1 HIS A 18 -10.188 11.727 -7.284 1.00 0.00 C flip ATOM 271 NE2 HIS A 18 -10.605 11.514 -8.535 1.00 0.00 N flip ATOM 0 H HIS A 18 -6.024 11.401 -6.284 1.00 0.00 H new ATOM 0 HA HIS A 18 -6.860 9.463 -7.177 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -6.687 11.194 -9.677 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -7.340 9.569 -9.726 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -9.696 10.790 -10.365 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -10.768 12.102 -6.454 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -11.557 11.689 -8.858 1.00 0.00 H new ATOM 279 N LYS A 19 -4.249 8.769 -7.496 1.00 0.00 N ATOM 280 CA LYS A 19 -3.094 7.911 -7.881 1.00 0.00 C ATOM 281 C LYS A 19 -2.054 7.944 -6.761 1.00 0.00 C ATOM 282 O LYS A 19 -1.654 8.997 -6.305 1.00 0.00 O ATOM 283 CB LYS A 19 -2.462 8.430 -9.175 1.00 0.00 C ATOM 284 CG LYS A 19 -2.310 9.950 -9.099 1.00 0.00 C ATOM 285 CD LYS A 19 -1.075 10.379 -9.893 1.00 0.00 C ATOM 286 CE LYS A 19 -1.177 9.849 -11.325 1.00 0.00 C ATOM 287 NZ LYS A 19 -2.358 10.459 -11.997 1.00 0.00 N ATOM 0 H LYS A 19 -4.292 9.012 -6.506 1.00 0.00 H new ATOM 0 HA LYS A 19 -3.440 6.890 -8.040 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -1.488 7.964 -9.328 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -3.083 8.159 -10.029 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -3.200 10.436 -9.499 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -2.215 10.265 -8.060 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -0.995 11.466 -9.901 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -0.172 9.997 -9.416 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -0.268 10.086 -11.878 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -1.271 8.763 -11.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -2.298 10.293 -13.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -3.229 10.028 -11.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -2.372 11.482 -11.812 1.00 0.00 H new ATOM 301 N LEU A 20 -1.612 6.803 -6.312 1.00 0.00 N ATOM 302 CA LEU A 20 -0.599 6.781 -5.220 1.00 0.00 C ATOM 303 C LEU A 20 0.500 7.802 -5.534 1.00 0.00 C ATOM 304 O LEU A 20 0.819 8.029 -6.684 1.00 0.00 O ATOM 305 CB LEU A 20 0.019 5.382 -5.119 1.00 0.00 C ATOM 306 CG LEU A 20 -1.048 4.376 -4.685 1.00 0.00 C ATOM 307 CD1 LEU A 20 -0.373 3.069 -4.266 1.00 0.00 C ATOM 308 CD2 LEU A 20 -1.834 4.943 -3.501 1.00 0.00 C ATOM 0 H LEU A 20 -1.907 5.888 -6.652 1.00 0.00 H new ATOM 0 HA LEU A 20 -1.077 7.033 -4.273 1.00 0.00 H new ATOM 0 HB2 LEU A 20 0.438 5.089 -6.082 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.840 5.388 -4.402 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.728 4.187 -5.516 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.132 2.351 -3.956 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.189 2.663 -5.108 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.306 3.260 -3.435 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.594 4.226 -3.192 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.154 5.132 -2.670 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.314 5.876 -3.796 1.00 0.00 H new ATOM 320 N PRO A 21 1.047 8.388 -4.500 1.00 0.00 N ATOM 321 CA PRO A 21 2.116 9.391 -4.641 1.00 0.00 C ATOM 322 C PRO A 21 3.261 8.845 -5.492 1.00 0.00 C ATOM 323 O PRO A 21 3.384 7.653 -5.697 1.00 0.00 O ATOM 324 CB PRO A 21 2.594 9.653 -3.208 1.00 0.00 C ATOM 325 CG PRO A 21 1.593 8.957 -2.250 1.00 0.00 C ATOM 326 CD PRO A 21 0.649 8.099 -3.110 1.00 0.00 C ATOM 0 HA PRO A 21 1.766 10.297 -5.135 1.00 0.00 H new ATOM 0 HB2 PRO A 21 3.601 9.261 -3.062 1.00 0.00 H new ATOM 0 HB3 PRO A 21 2.636 10.724 -3.007 1.00 0.00 H new ATOM 0 HG2 PRO A 21 2.123 8.337 -1.527 1.00 0.00 H new ATOM 0 HG3 PRO A 21 1.028 9.697 -1.682 1.00 0.00 H new ATOM 0 HD2 PRO A 21 0.756 7.039 -2.879 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -0.395 8.360 -2.934 1.00 0.00 H new ATOM 334 N ASP A 22 4.108 9.708 -5.980 1.00 0.00 N ATOM 335 CA ASP A 22 5.250 9.241 -6.807 1.00 0.00 C ATOM 336 C ASP A 22 6.235 8.480 -5.918 1.00 0.00 C ATOM 337 O ASP A 22 7.182 7.886 -6.393 1.00 0.00 O ATOM 338 CB ASP A 22 5.953 10.445 -7.440 1.00 0.00 C ATOM 339 CG ASP A 22 5.158 10.918 -8.658 1.00 0.00 C ATOM 340 OD1 ASP A 22 3.940 10.909 -8.585 1.00 0.00 O ATOM 341 OD2 ASP A 22 5.780 11.281 -9.643 1.00 0.00 O ATOM 0 H ASP A 22 4.057 10.717 -5.840 1.00 0.00 H new ATOM 0 HA ASP A 22 4.886 8.584 -7.597 1.00 0.00 H new ATOM 0 HB2 ASP A 22 6.040 11.253 -6.713 1.00 0.00 H new ATOM 0 HB3 ASP A 22 6.966 10.173 -7.737 1.00 0.00 H new ATOM 346 N ASN A 23 6.016 8.491 -4.631 1.00 0.00 N ATOM 347 CA ASN A 23 6.940 7.763 -3.716 1.00 0.00 C ATOM 348 C ASN A 23 6.416 6.344 -3.485 1.00 0.00 C ATOM 349 O ASN A 23 6.936 5.606 -2.671 1.00 0.00 O ATOM 350 CB ASN A 23 7.022 8.500 -2.378 1.00 0.00 C ATOM 351 CG ASN A 23 5.626 8.601 -1.763 1.00 0.00 C ATOM 352 OD1 ASN A 23 4.948 7.605 -1.598 1.00 0.00 O ATOM 353 ND2 ASN A 23 5.162 9.769 -1.413 1.00 0.00 N ATOM 0 H ASN A 23 5.240 8.971 -4.175 1.00 0.00 H new ATOM 0 HA ASN A 23 7.932 7.716 -4.165 1.00 0.00 H new ATOM 0 HB2 ASN A 23 7.692 7.971 -1.700 1.00 0.00 H new ATOM 0 HB3 ASN A 23 7.439 9.496 -2.525 1.00 0.00 H new ATOM 0 HD21 ASN A 23 4.232 9.846 -1.002 1.00 0.00 H new ATOM 0 HD22 ASN A 23 5.729 10.605 -1.551 1.00 0.00 H new ATOM 360 N TYR A 24 5.391 5.954 -4.194 1.00 0.00 N ATOM 361 CA TYR A 24 4.842 4.583 -4.008 1.00 0.00 C ATOM 362 C TYR A 24 5.288 3.687 -5.163 1.00 0.00 C ATOM 363 O TYR A 24 4.567 3.483 -6.119 1.00 0.00 O ATOM 364 CB TYR A 24 3.315 4.638 -3.968 1.00 0.00 C ATOM 365 CG TYR A 24 2.855 4.657 -2.531 1.00 0.00 C ATOM 366 CD1 TYR A 24 2.740 3.458 -1.816 1.00 0.00 C ATOM 367 CD2 TYR A 24 2.550 5.873 -1.911 1.00 0.00 C ATOM 368 CE1 TYR A 24 2.319 3.477 -0.481 1.00 0.00 C ATOM 369 CE2 TYR A 24 2.127 5.893 -0.577 1.00 0.00 C ATOM 370 CZ TYR A 24 2.012 4.696 0.138 1.00 0.00 C ATOM 371 OH TYR A 24 1.596 4.715 1.454 1.00 0.00 O ATOM 0 H TYR A 24 4.912 6.524 -4.891 1.00 0.00 H new ATOM 0 HA TYR A 24 5.214 4.175 -3.068 1.00 0.00 H new ATOM 0 HB2 TYR A 24 2.958 5.527 -4.488 1.00 0.00 H new ATOM 0 HB3 TYR A 24 2.895 3.775 -4.485 1.00 0.00 H new ATOM 0 HD1 TYR A 24 2.976 2.519 -2.295 1.00 0.00 H new ATOM 0 HD2 TYR A 24 2.641 6.797 -2.462 1.00 0.00 H new ATOM 0 HE1 TYR A 24 2.231 2.553 0.071 1.00 0.00 H new ATOM 0 HE2 TYR A 24 1.889 6.832 -0.100 1.00 0.00 H new ATOM 0 HH TYR A 24 2.032 3.988 1.945 1.00 0.00 H new ATOM 381 N ILE A 25 6.468 3.140 -5.074 1.00 0.00 N ATOM 382 CA ILE A 25 6.956 2.245 -6.156 1.00 0.00 C ATOM 383 C ILE A 25 6.661 0.799 -5.763 1.00 0.00 C ATOM 384 O ILE A 25 7.019 0.354 -4.690 1.00 0.00 O ATOM 385 CB ILE A 25 8.464 2.432 -6.337 1.00 0.00 C ATOM 386 CG1 ILE A 25 9.174 2.164 -5.007 1.00 0.00 C ATOM 387 CG2 ILE A 25 8.751 3.865 -6.787 1.00 0.00 C ATOM 388 CD1 ILE A 25 10.188 1.034 -5.186 1.00 0.00 C ATOM 0 H ILE A 25 7.115 3.275 -4.297 1.00 0.00 H new ATOM 0 HA ILE A 25 6.454 2.486 -7.093 1.00 0.00 H new ATOM 0 HB ILE A 25 8.828 1.735 -7.092 1.00 0.00 H new ATOM 0 HG12 ILE A 25 9.678 3.067 -4.664 1.00 0.00 H new ATOM 0 HG13 ILE A 25 8.446 1.895 -4.242 1.00 0.00 H new ATOM 0 HG21 ILE A 25 9.825 3.998 -6.916 1.00 0.00 H new ATOM 0 HG22 ILE A 25 8.246 4.057 -7.733 1.00 0.00 H new ATOM 0 HG23 ILE A 25 8.387 4.563 -6.033 1.00 0.00 H new ATOM 0 HD11 ILE A 25 10.693 0.844 -4.239 1.00 0.00 H new ATOM 0 HD12 ILE A 25 9.672 0.130 -5.510 1.00 0.00 H new ATOM 0 HD13 ILE A 25 10.923 1.321 -5.938 1.00 0.00 H new ATOM 400 N THR A 26 6.004 0.060 -6.613 1.00 0.00 N ATOM 401 CA THR A 26 5.683 -1.353 -6.274 1.00 0.00 C ATOM 402 C THR A 26 6.936 -2.051 -5.745 1.00 0.00 C ATOM 403 O THR A 26 8.009 -1.482 -5.716 1.00 0.00 O ATOM 404 CB THR A 26 5.185 -2.081 -7.521 1.00 0.00 C ATOM 405 OG1 THR A 26 6.270 -2.278 -8.418 1.00 0.00 O ATOM 406 CG2 THR A 26 4.098 -1.248 -8.204 1.00 0.00 C ATOM 0 H THR A 26 5.676 0.374 -7.527 1.00 0.00 H new ATOM 0 HA THR A 26 4.906 -1.371 -5.509 1.00 0.00 H new ATOM 0 HB THR A 26 4.770 -3.047 -7.235 1.00 0.00 H new ATOM 0 HG1 THR A 26 5.952 -2.747 -9.218 1.00 0.00 H new ATOM 0 HG21 THR A 26 3.745 -1.770 -9.093 1.00 0.00 H new ATOM 0 HG22 THR A 26 3.266 -1.100 -7.515 1.00 0.00 H new ATOM 0 HG23 THR A 26 4.508 -0.280 -8.491 1.00 0.00 H new ATOM 414 N LYS A 27 6.810 -3.281 -5.330 1.00 0.00 N ATOM 415 CA LYS A 27 8.009 -4.005 -4.806 1.00 0.00 C ATOM 416 C LYS A 27 8.957 -4.307 -5.963 1.00 0.00 C ATOM 417 O LYS A 27 10.146 -4.084 -5.873 1.00 0.00 O ATOM 418 CB LYS A 27 7.625 -5.325 -4.119 1.00 0.00 C ATOM 419 CG LYS A 27 6.105 -5.479 -4.017 1.00 0.00 C ATOM 420 CD LYS A 27 5.771 -6.762 -3.255 1.00 0.00 C ATOM 421 CE LYS A 27 5.211 -7.801 -4.228 1.00 0.00 C ATOM 422 NZ LYS A 27 4.681 -8.964 -3.462 1.00 0.00 N ATOM 0 H LYS A 27 5.940 -3.814 -5.329 1.00 0.00 H new ATOM 0 HA LYS A 27 8.490 -3.365 -4.066 1.00 0.00 H new ATOM 0 HB2 LYS A 27 8.041 -6.163 -4.679 1.00 0.00 H new ATOM 0 HB3 LYS A 27 8.064 -5.359 -3.122 1.00 0.00 H new ATOM 0 HG2 LYS A 27 5.675 -4.618 -3.506 1.00 0.00 H new ATOM 0 HG3 LYS A 27 5.665 -5.510 -5.014 1.00 0.00 H new ATOM 0 HD2 LYS A 27 6.664 -7.150 -2.766 1.00 0.00 H new ATOM 0 HD3 LYS A 27 5.043 -6.553 -2.471 1.00 0.00 H new ATOM 0 HE2 LYS A 27 4.419 -7.359 -4.833 1.00 0.00 H new ATOM 0 HE3 LYS A 27 5.991 -8.129 -4.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 4.300 -9.671 -4.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 5.448 -9.390 -2.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 3.925 -8.644 -2.824 1.00 0.00 H new ATOM 436 N SER A 28 8.444 -4.804 -7.055 1.00 0.00 N ATOM 437 CA SER A 28 9.330 -5.107 -8.212 1.00 0.00 C ATOM 438 C SER A 28 10.134 -3.852 -8.541 1.00 0.00 C ATOM 439 O SER A 28 11.297 -3.913 -8.900 1.00 0.00 O ATOM 440 CB SER A 28 8.480 -5.507 -9.419 1.00 0.00 C ATOM 441 OG SER A 28 9.078 -6.624 -10.065 1.00 0.00 O ATOM 0 H SER A 28 7.455 -5.012 -7.195 1.00 0.00 H new ATOM 0 HA SER A 28 10.002 -5.930 -7.967 1.00 0.00 H new ATOM 0 HB2 SER A 28 7.468 -5.756 -9.099 1.00 0.00 H new ATOM 0 HB3 SER A 28 8.398 -4.671 -10.114 1.00 0.00 H new ATOM 0 HG SER A 28 8.535 -6.884 -10.838 1.00 0.00 H new ATOM 447 N GLU A 29 9.521 -2.709 -8.406 1.00 0.00 N ATOM 448 CA GLU A 29 10.239 -1.444 -8.696 1.00 0.00 C ATOM 449 C GLU A 29 11.441 -1.333 -7.761 1.00 0.00 C ATOM 450 O GLU A 29 12.515 -0.942 -8.167 1.00 0.00 O ATOM 451 CB GLU A 29 9.301 -0.256 -8.472 1.00 0.00 C ATOM 452 CG GLU A 29 8.619 0.109 -9.792 1.00 0.00 C ATOM 453 CD GLU A 29 9.286 1.349 -10.386 1.00 0.00 C ATOM 454 OE1 GLU A 29 9.006 2.436 -9.908 1.00 0.00 O ATOM 455 OE2 GLU A 29 10.069 1.193 -11.309 1.00 0.00 O ATOM 0 H GLU A 29 8.552 -2.600 -8.107 1.00 0.00 H new ATOM 0 HA GLU A 29 10.576 -1.440 -9.733 1.00 0.00 H new ATOM 0 HB2 GLU A 29 8.552 -0.506 -7.720 1.00 0.00 H new ATOM 0 HB3 GLU A 29 9.862 0.598 -8.092 1.00 0.00 H new ATOM 0 HG2 GLU A 29 8.688 -0.724 -10.491 1.00 0.00 H new ATOM 0 HG3 GLU A 29 7.559 0.298 -9.625 1.00 0.00 H new ATOM 462 N ALA A 30 11.278 -1.690 -6.515 1.00 0.00 N ATOM 463 CA ALA A 30 12.431 -1.614 -5.579 1.00 0.00 C ATOM 464 C ALA A 30 13.459 -2.660 -6.000 1.00 0.00 C ATOM 465 O ALA A 30 14.651 -2.464 -5.874 1.00 0.00 O ATOM 466 CB ALA A 30 11.963 -1.894 -4.149 1.00 0.00 C ATOM 0 H ALA A 30 10.405 -2.027 -6.110 1.00 0.00 H new ATOM 0 HA ALA A 30 12.872 -0.618 -5.610 1.00 0.00 H new ATOM 0 HB1 ALA A 30 12.814 -1.836 -3.470 1.00 0.00 H new ATOM 0 HB2 ALA A 30 11.217 -1.155 -3.859 1.00 0.00 H new ATOM 0 HB3 ALA A 30 11.525 -2.891 -4.098 1.00 0.00 H new ATOM 472 N GLN A 31 13.003 -3.767 -6.519 1.00 0.00 N ATOM 473 CA GLN A 31 13.947 -4.820 -6.969 1.00 0.00 C ATOM 474 C GLN A 31 14.811 -4.244 -8.086 1.00 0.00 C ATOM 475 O GLN A 31 15.989 -4.524 -8.184 1.00 0.00 O ATOM 476 CB GLN A 31 13.162 -6.024 -7.494 1.00 0.00 C ATOM 477 CG GLN A 31 12.397 -6.677 -6.342 1.00 0.00 C ATOM 478 CD GLN A 31 12.150 -8.152 -6.662 1.00 0.00 C ATOM 479 OE1 GLN A 31 11.146 -8.498 -7.252 1.00 0.00 O ATOM 480 NE2 GLN A 31 13.031 -9.043 -6.296 1.00 0.00 N ATOM 0 H GLN A 31 12.015 -3.985 -6.650 1.00 0.00 H new ATOM 0 HA GLN A 31 14.574 -5.143 -6.138 1.00 0.00 H new ATOM 0 HB2 GLN A 31 12.468 -5.707 -8.272 1.00 0.00 H new ATOM 0 HB3 GLN A 31 13.842 -6.745 -7.948 1.00 0.00 H new ATOM 0 HG2 GLN A 31 12.965 -6.585 -5.416 1.00 0.00 H new ATOM 0 HG3 GLN A 31 11.448 -6.164 -6.185 1.00 0.00 H new ATOM 0 HE21 GLN A 31 13.874 -8.753 -5.801 1.00 0.00 H new ATOM 0 HE22 GLN A 31 12.876 -10.029 -6.505 1.00 0.00 H new ATOM 489 N ALA A 32 14.230 -3.435 -8.931 1.00 0.00 N ATOM 490 CA ALA A 32 15.014 -2.836 -10.040 1.00 0.00 C ATOM 491 C ALA A 32 16.209 -2.077 -9.470 1.00 0.00 C ATOM 492 O ALA A 32 17.278 -2.045 -10.048 1.00 0.00 O ATOM 493 CB ALA A 32 14.129 -1.875 -10.834 1.00 0.00 C ATOM 0 H ALA A 32 13.247 -3.166 -8.898 1.00 0.00 H new ATOM 0 HA ALA A 32 15.369 -3.628 -10.699 1.00 0.00 H new ATOM 0 HB1 ALA A 32 14.707 -1.436 -11.648 1.00 0.00 H new ATOM 0 HB2 ALA A 32 13.279 -2.419 -11.245 1.00 0.00 H new ATOM 0 HB3 ALA A 32 13.770 -1.083 -10.176 1.00 0.00 H new ATOM 499 N LEU A 33 16.026 -1.462 -8.345 1.00 0.00 N ATOM 500 CA LEU A 33 17.132 -0.687 -7.716 1.00 0.00 C ATOM 501 C LEU A 33 18.073 -1.623 -6.958 1.00 0.00 C ATOM 502 O LEU A 33 19.204 -1.287 -6.669 1.00 0.00 O ATOM 503 CB LEU A 33 16.534 0.334 -6.762 1.00 0.00 C ATOM 504 CG LEU A 33 15.596 1.237 -7.555 1.00 0.00 C ATOM 505 CD1 LEU A 33 14.149 0.835 -7.281 1.00 0.00 C ATOM 506 CD2 LEU A 33 15.827 2.687 -7.142 1.00 0.00 C ATOM 0 H LEU A 33 15.149 -1.460 -7.824 1.00 0.00 H new ATOM 0 HA LEU A 33 17.706 -0.178 -8.490 1.00 0.00 H new ATOM 0 HB2 LEU A 33 15.991 -0.167 -5.961 1.00 0.00 H new ATOM 0 HB3 LEU A 33 17.322 0.923 -6.293 1.00 0.00 H new ATOM 0 HG LEU A 33 15.795 1.133 -8.622 1.00 0.00 H new ATOM 0 HD11 LEU A 33 13.478 1.481 -7.848 1.00 0.00 H new ATOM 0 HD12 LEU A 33 13.996 -0.201 -7.582 1.00 0.00 H new ATOM 0 HD13 LEU A 33 13.938 0.938 -6.217 1.00 0.00 H new ATOM 0 HD21 LEU A 33 15.158 3.337 -7.706 1.00 0.00 H new ATOM 0 HD22 LEU A 33 15.627 2.798 -6.076 1.00 0.00 H new ATOM 0 HD23 LEU A 33 16.861 2.964 -7.348 1.00 0.00 H new ATOM 518 N GLY A 34 17.612 -2.794 -6.638 1.00 0.00 N ATOM 519 CA GLY A 34 18.475 -3.761 -5.898 1.00 0.00 C ATOM 520 C GLY A 34 17.844 -4.082 -4.541 1.00 0.00 C ATOM 521 O GLY A 34 18.511 -4.099 -3.525 1.00 0.00 O ATOM 0 H GLY A 34 16.673 -3.129 -6.855 1.00 0.00 H new ATOM 0 HA2 GLY A 34 18.595 -4.675 -6.479 1.00 0.00 H new ATOM 0 HA3 GLY A 34 19.471 -3.340 -5.757 1.00 0.00 H new ATOM 525 N TRP A 35 16.566 -4.338 -4.516 1.00 0.00 N ATOM 526 CA TRP A 35 15.893 -4.660 -3.224 1.00 0.00 C ATOM 527 C TRP A 35 15.482 -6.136 -3.222 1.00 0.00 C ATOM 528 O TRP A 35 14.722 -6.581 -4.059 1.00 0.00 O ATOM 529 CB TRP A 35 14.654 -3.766 -3.064 1.00 0.00 C ATOM 530 CG TRP A 35 13.684 -4.382 -2.099 1.00 0.00 C ATOM 531 CD1 TRP A 35 13.836 -4.415 -0.755 1.00 0.00 C ATOM 532 CD2 TRP A 35 12.422 -5.052 -2.386 1.00 0.00 C ATOM 533 NE1 TRP A 35 12.746 -5.062 -0.199 1.00 0.00 N ATOM 534 CE2 TRP A 35 11.848 -5.473 -1.163 1.00 0.00 C ATOM 535 CE3 TRP A 35 11.726 -5.332 -3.576 1.00 0.00 C ATOM 536 CZ2 TRP A 35 10.627 -6.148 -1.123 1.00 0.00 C ATOM 537 CZ3 TRP A 35 10.497 -6.011 -3.538 1.00 0.00 C ATOM 538 CH2 TRP A 35 9.949 -6.418 -2.315 1.00 0.00 C ATOM 0 H TRP A 35 15.957 -4.339 -5.334 1.00 0.00 H new ATOM 0 HA TRP A 35 16.575 -4.479 -2.393 1.00 0.00 H new ATOM 0 HB2 TRP A 35 14.953 -2.780 -2.709 1.00 0.00 H new ATOM 0 HB3 TRP A 35 14.173 -3.624 -4.032 1.00 0.00 H new ATOM 0 HD1 TRP A 35 14.671 -4.004 -0.206 1.00 0.00 H new ATOM 0 HE1 TRP A 35 12.622 -5.216 0.802 1.00 0.00 H new ATOM 0 HE3 TRP A 35 12.139 -5.023 -4.525 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 10.209 -6.460 -0.177 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 9.971 -6.221 -4.458 1.00 0.00 H new ATOM 0 HH2 TRP A 35 9.004 -6.940 -2.293 1.00 0.00 H new ATOM 549 N VAL A 36 15.974 -6.894 -2.280 1.00 0.00 N ATOM 550 CA VAL A 36 15.604 -8.334 -2.218 1.00 0.00 C ATOM 551 C VAL A 36 14.363 -8.494 -1.341 1.00 0.00 C ATOM 552 O VAL A 36 14.410 -8.303 -0.142 1.00 0.00 O ATOM 553 CB VAL A 36 16.762 -9.136 -1.619 1.00 0.00 C ATOM 554 CG1 VAL A 36 16.431 -10.628 -1.680 1.00 0.00 C ATOM 555 CG2 VAL A 36 18.037 -8.865 -2.419 1.00 0.00 C ATOM 0 H VAL A 36 16.615 -6.578 -1.552 1.00 0.00 H new ATOM 0 HA VAL A 36 15.394 -8.703 -3.222 1.00 0.00 H new ATOM 0 HB VAL A 36 16.913 -8.838 -0.582 1.00 0.00 H new ATOM 0 HG11 VAL A 36 17.254 -11.201 -1.254 1.00 0.00 H new ATOM 0 HG12 VAL A 36 15.521 -10.822 -1.112 1.00 0.00 H new ATOM 0 HG13 VAL A 36 16.281 -10.925 -2.718 1.00 0.00 H new ATOM 0 HG21 VAL A 36 18.862 -9.436 -1.993 1.00 0.00 H new ATOM 0 HG22 VAL A 36 17.886 -9.164 -3.456 1.00 0.00 H new ATOM 0 HG23 VAL A 36 18.273 -7.802 -2.379 1.00 0.00 H new ATOM 565 N ALA A 37 13.250 -8.837 -1.929 1.00 0.00 N ATOM 566 CA ALA A 37 12.006 -9.002 -1.127 1.00 0.00 C ATOM 567 C ALA A 37 12.180 -10.159 -0.142 1.00 0.00 C ATOM 568 O ALA A 37 11.446 -10.287 0.817 1.00 0.00 O ATOM 569 CB ALA A 37 10.831 -9.299 -2.063 1.00 0.00 C ATOM 0 H ALA A 37 13.149 -9.010 -2.929 1.00 0.00 H new ATOM 0 HA ALA A 37 11.807 -8.084 -0.574 1.00 0.00 H new ATOM 0 HB1 ALA A 37 9.920 -9.420 -1.477 1.00 0.00 H new ATOM 0 HB2 ALA A 37 10.705 -8.473 -2.763 1.00 0.00 H new ATOM 0 HB3 ALA A 37 11.030 -10.216 -2.617 1.00 0.00 H new ATOM 615 N ASN A 41 15.137 -5.594 2.542 1.00 0.00 N ATOM 616 CA ASN A 41 16.147 -4.555 2.890 1.00 0.00 C ATOM 617 C ASN A 41 15.850 -3.272 2.110 1.00 0.00 C ATOM 618 O ASN A 41 16.733 -2.661 1.543 1.00 0.00 O ATOM 619 CB ASN A 41 17.547 -5.060 2.530 1.00 0.00 C ATOM 620 CG ASN A 41 17.475 -5.916 1.265 1.00 0.00 C ATOM 621 OD1 ASN A 41 16.808 -6.931 1.242 1.00 0.00 O ATOM 622 ND2 ASN A 41 18.139 -5.547 0.204 1.00 0.00 N ATOM 0 HA ASN A 41 16.101 -4.349 3.959 1.00 0.00 H new ATOM 0 HB2 ASN A 41 18.219 -4.217 2.373 1.00 0.00 H new ATOM 0 HB3 ASN A 41 17.957 -5.645 3.354 1.00 0.00 H new ATOM 0 HD21 ASN A 41 18.098 -6.111 -0.645 1.00 0.00 H new ATOM 0 HD22 ASN A 41 18.699 -4.695 0.224 1.00 0.00 H new ATOM 629 N LEU A 42 14.612 -2.859 2.077 1.00 0.00 N ATOM 630 CA LEU A 42 14.257 -1.615 1.337 1.00 0.00 C ATOM 631 C LEU A 42 15.014 -0.435 1.943 1.00 0.00 C ATOM 632 O LEU A 42 15.659 0.326 1.251 1.00 0.00 O ATOM 633 CB LEU A 42 12.754 -1.365 1.462 1.00 0.00 C ATOM 634 CG LEU A 42 12.230 -0.679 0.198 1.00 0.00 C ATOM 635 CD1 LEU A 42 12.618 -1.492 -1.039 1.00 0.00 C ATOM 636 CD2 LEU A 42 10.706 -0.581 0.273 1.00 0.00 C ATOM 0 H LEU A 42 13.830 -3.331 2.532 1.00 0.00 H new ATOM 0 HA LEU A 42 14.526 -1.724 0.286 1.00 0.00 H new ATOM 0 HB2 LEU A 42 12.232 -2.309 1.616 1.00 0.00 H new ATOM 0 HB3 LEU A 42 12.552 -0.743 2.334 1.00 0.00 H new ATOM 0 HG LEU A 42 12.666 0.317 0.126 1.00 0.00 H new ATOM 0 HD11 LEU A 42 12.241 -0.996 -1.933 1.00 0.00 H new ATOM 0 HD12 LEU A 42 13.704 -1.570 -1.098 1.00 0.00 H new ATOM 0 HD13 LEU A 42 12.186 -2.490 -0.968 1.00 0.00 H new ATOM 0 HD21 LEU A 42 10.328 -0.093 -0.625 1.00 0.00 H new ATOM 0 HD22 LEU A 42 10.280 -1.582 0.349 1.00 0.00 H new ATOM 0 HD23 LEU A 42 10.422 0.002 1.149 1.00 0.00 H new ATOM 648 N ALA A 43 14.940 -0.280 3.233 1.00 0.00 N ATOM 649 CA ALA A 43 15.656 0.851 3.890 1.00 0.00 C ATOM 650 C ALA A 43 17.165 0.698 3.679 1.00 0.00 C ATOM 651 O ALA A 43 17.934 1.595 3.962 1.00 0.00 O ATOM 652 CB ALA A 43 15.347 0.847 5.389 1.00 0.00 C ATOM 0 H ALA A 43 14.415 -0.886 3.863 1.00 0.00 H new ATOM 0 HA ALA A 43 15.324 1.792 3.452 1.00 0.00 H new ATOM 0 HB1 ALA A 43 15.870 1.673 5.870 1.00 0.00 H new ATOM 0 HB2 ALA A 43 14.273 0.960 5.539 1.00 0.00 H new ATOM 0 HB3 ALA A 43 15.677 -0.095 5.826 1.00 0.00 H new ATOM 658 N ASP A 44 17.597 -0.433 3.190 1.00 0.00 N ATOM 659 CA ASP A 44 19.056 -0.644 2.970 1.00 0.00 C ATOM 660 C ASP A 44 19.435 -0.259 1.536 1.00 0.00 C ATOM 661 O ASP A 44 20.519 0.228 1.284 1.00 0.00 O ATOM 662 CB ASP A 44 19.395 -2.118 3.204 1.00 0.00 C ATOM 663 CG ASP A 44 20.823 -2.235 3.738 1.00 0.00 C ATOM 664 OD1 ASP A 44 21.537 -1.247 3.684 1.00 0.00 O ATOM 665 OD2 ASP A 44 21.178 -3.309 4.192 1.00 0.00 O ATOM 0 H ASP A 44 17.002 -1.220 2.933 1.00 0.00 H new ATOM 0 HA ASP A 44 19.615 -0.019 3.666 1.00 0.00 H new ATOM 0 HB2 ASP A 44 18.693 -2.555 3.914 1.00 0.00 H new ATOM 0 HB3 ASP A 44 19.297 -2.677 2.273 1.00 0.00 H new ATOM 670 N VAL A 45 18.559 -0.477 0.591 1.00 0.00 N ATOM 671 CA VAL A 45 18.895 -0.125 -0.822 1.00 0.00 C ATOM 672 C VAL A 45 18.049 1.065 -1.284 1.00 0.00 C ATOM 673 O VAL A 45 18.562 2.031 -1.812 1.00 0.00 O ATOM 674 CB VAL A 45 18.629 -1.329 -1.731 1.00 0.00 C ATOM 675 CG1 VAL A 45 19.509 -2.502 -1.294 1.00 0.00 C ATOM 676 CG2 VAL A 45 17.156 -1.735 -1.634 1.00 0.00 C ATOM 0 H VAL A 45 17.633 -0.880 0.733 1.00 0.00 H new ATOM 0 HA VAL A 45 19.949 0.146 -0.878 1.00 0.00 H new ATOM 0 HB VAL A 45 18.862 -1.060 -2.761 1.00 0.00 H new ATOM 0 HG11 VAL A 45 19.320 -3.359 -1.940 1.00 0.00 H new ATOM 0 HG12 VAL A 45 20.558 -2.217 -1.367 1.00 0.00 H new ATOM 0 HG13 VAL A 45 19.276 -2.767 -0.263 1.00 0.00 H new ATOM 0 HG21 VAL A 45 16.971 -2.592 -2.282 1.00 0.00 H new ATOM 0 HG22 VAL A 45 16.919 -2.001 -0.604 1.00 0.00 H new ATOM 0 HG23 VAL A 45 16.527 -0.901 -1.947 1.00 0.00 H new ATOM 686 N ALA A 46 16.757 1.007 -1.099 1.00 0.00 N ATOM 687 CA ALA A 46 15.893 2.139 -1.537 1.00 0.00 C ATOM 688 C ALA A 46 15.063 2.648 -0.353 1.00 0.00 C ATOM 689 O ALA A 46 13.864 2.456 -0.311 1.00 0.00 O ATOM 690 CB ALA A 46 14.954 1.662 -2.647 1.00 0.00 C ATOM 0 H ALA A 46 16.265 0.226 -0.665 1.00 0.00 H new ATOM 0 HA ALA A 46 16.522 2.947 -1.910 1.00 0.00 H new ATOM 0 HB1 ALA A 46 14.321 2.489 -2.969 1.00 0.00 H new ATOM 0 HB2 ALA A 46 15.542 1.305 -3.493 1.00 0.00 H new ATOM 0 HB3 ALA A 46 14.329 0.852 -2.272 1.00 0.00 H new ATOM 696 N PRO A 47 15.730 3.289 0.577 1.00 0.00 N ATOM 697 CA PRO A 47 15.072 3.842 1.775 1.00 0.00 C ATOM 698 C PRO A 47 14.068 4.926 1.375 1.00 0.00 C ATOM 699 O PRO A 47 13.899 5.225 0.209 1.00 0.00 O ATOM 700 CB PRO A 47 16.213 4.447 2.605 1.00 0.00 C ATOM 701 CG PRO A 47 17.527 4.261 1.805 1.00 0.00 C ATOM 702 CD PRO A 47 17.184 3.509 0.509 1.00 0.00 C ATOM 0 HA PRO A 47 14.517 3.085 2.330 1.00 0.00 H new ATOM 0 HB2 PRO A 47 16.028 5.504 2.796 1.00 0.00 H new ATOM 0 HB3 PRO A 47 16.283 3.955 3.575 1.00 0.00 H new ATOM 0 HG2 PRO A 47 17.977 5.228 1.578 1.00 0.00 H new ATOM 0 HG3 PRO A 47 18.255 3.700 2.391 1.00 0.00 H new ATOM 0 HD2 PRO A 47 17.455 4.092 -0.371 1.00 0.00 H new ATOM 0 HD3 PRO A 47 17.725 2.565 0.444 1.00 0.00 H new ATOM 710 N GLY A 48 13.405 5.517 2.335 1.00 0.00 N ATOM 711 CA GLY A 48 12.412 6.584 2.017 1.00 0.00 C ATOM 712 C GLY A 48 11.611 6.185 0.777 1.00 0.00 C ATOM 713 O GLY A 48 11.566 6.904 -0.202 1.00 0.00 O ATOM 0 H GLY A 48 13.509 5.306 3.327 1.00 0.00 H new ATOM 0 HA2 GLY A 48 11.741 6.735 2.863 1.00 0.00 H new ATOM 0 HA3 GLY A 48 12.923 7.531 1.843 1.00 0.00 H new ATOM 717 N LYS A 49 10.986 5.042 0.807 1.00 0.00 N ATOM 718 CA LYS A 49 10.196 4.595 -0.376 1.00 0.00 C ATOM 719 C LYS A 49 8.912 3.908 0.093 1.00 0.00 C ATOM 720 O LYS A 49 8.808 3.466 1.220 1.00 0.00 O ATOM 721 CB LYS A 49 11.032 3.613 -1.198 1.00 0.00 C ATOM 722 CG LYS A 49 12.090 4.382 -1.990 1.00 0.00 C ATOM 723 CD LYS A 49 11.690 4.427 -3.464 1.00 0.00 C ATOM 724 CE LYS A 49 12.826 5.038 -4.285 1.00 0.00 C ATOM 725 NZ LYS A 49 12.712 4.586 -5.700 1.00 0.00 N ATOM 0 H LYS A 49 10.987 4.398 1.598 1.00 0.00 H new ATOM 0 HA LYS A 49 9.937 5.458 -0.989 1.00 0.00 H new ATOM 0 HB2 LYS A 49 11.511 2.887 -0.540 1.00 0.00 H new ATOM 0 HB3 LYS A 49 10.390 3.052 -1.877 1.00 0.00 H new ATOM 0 HG2 LYS A 49 12.189 5.394 -1.598 1.00 0.00 H new ATOM 0 HG3 LYS A 49 13.062 3.901 -1.880 1.00 0.00 H new ATOM 0 HD2 LYS A 49 11.469 3.422 -3.822 1.00 0.00 H new ATOM 0 HD3 LYS A 49 10.781 5.016 -3.587 1.00 0.00 H new ATOM 0 HE2 LYS A 49 12.782 6.126 -4.234 1.00 0.00 H new ATOM 0 HE3 LYS A 49 13.789 4.739 -3.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 13.484 5.001 -6.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 12.774 3.549 -5.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 11.798 4.893 -6.090 1.00 0.00 H new ATOM 739 N SER A 50 7.934 3.813 -0.765 1.00 0.00 N ATOM 740 CA SER A 50 6.657 3.154 -0.372 1.00 0.00 C ATOM 741 C SER A 50 6.304 2.076 -1.396 1.00 0.00 C ATOM 742 O SER A 50 6.447 2.266 -2.586 1.00 0.00 O ATOM 743 CB SER A 50 5.541 4.197 -0.324 1.00 0.00 C ATOM 744 OG SER A 50 5.855 5.177 0.657 1.00 0.00 O ATOM 0 H SER A 50 7.964 4.164 -1.722 1.00 0.00 H new ATOM 0 HA SER A 50 6.770 2.697 0.611 1.00 0.00 H new ATOM 0 HB2 SER A 50 5.425 4.667 -1.300 1.00 0.00 H new ATOM 0 HB3 SER A 50 4.591 3.719 -0.086 1.00 0.00 H new ATOM 0 HG SER A 50 5.142 5.848 0.689 1.00 0.00 H new ATOM 750 N ILE A 51 5.839 0.944 -0.943 1.00 0.00 N ATOM 751 CA ILE A 51 5.470 -0.145 -1.891 1.00 0.00 C ATOM 752 C ILE A 51 3.949 -0.174 -2.047 1.00 0.00 C ATOM 753 O ILE A 51 3.238 -0.617 -1.167 1.00 0.00 O ATOM 754 CB ILE A 51 5.951 -1.488 -1.338 1.00 0.00 C ATOM 755 CG1 ILE A 51 7.430 -1.381 -0.951 1.00 0.00 C ATOM 756 CG2 ILE A 51 5.775 -2.572 -2.402 1.00 0.00 C ATOM 757 CD1 ILE A 51 8.298 -1.389 -2.212 1.00 0.00 C ATOM 0 H ILE A 51 5.699 0.726 0.044 1.00 0.00 H new ATOM 0 HA ILE A 51 5.938 0.034 -2.859 1.00 0.00 H new ATOM 0 HB ILE A 51 5.365 -1.749 -0.457 1.00 0.00 H new ATOM 0 HG12 ILE A 51 7.602 -0.465 -0.386 1.00 0.00 H new ATOM 0 HG13 ILE A 51 7.707 -2.212 -0.303 1.00 0.00 H new ATOM 0 HG21 ILE A 51 6.118 -3.528 -2.007 1.00 0.00 H new ATOM 0 HG22 ILE A 51 4.722 -2.648 -2.673 1.00 0.00 H new ATOM 0 HG23 ILE A 51 6.359 -2.313 -3.285 1.00 0.00 H new ATOM 0 HD11 ILE A 51 9.348 -1.313 -1.931 1.00 0.00 H new ATOM 0 HD12 ILE A 51 8.135 -2.317 -2.760 1.00 0.00 H new ATOM 0 HD13 ILE A 51 8.029 -0.543 -2.844 1.00 0.00 H new ATOM 769 N GLY A 52 3.441 0.296 -3.153 1.00 0.00 N ATOM 770 CA GLY A 52 1.964 0.295 -3.347 1.00 0.00 C ATOM 771 C GLY A 52 1.639 0.416 -4.835 1.00 0.00 C ATOM 772 O GLY A 52 2.518 0.507 -5.668 1.00 0.00 O ATOM 0 H GLY A 52 3.982 0.679 -3.928 1.00 0.00 H new ATOM 0 HA2 GLY A 52 1.536 -0.623 -2.945 1.00 0.00 H new ATOM 0 HA3 GLY A 52 1.515 1.123 -2.799 1.00 0.00 H new ATOM 776 N GLY A 53 0.379 0.419 -5.174 1.00 0.00 N ATOM 777 CA GLY A 53 -0.005 0.534 -6.609 1.00 0.00 C ATOM 778 C GLY A 53 -0.152 -0.863 -7.216 1.00 0.00 C ATOM 779 O GLY A 53 -0.542 -1.016 -8.356 1.00 0.00 O ATOM 0 H GLY A 53 -0.400 0.347 -4.520 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -0.943 1.082 -6.702 1.00 0.00 H new ATOM 0 HA3 GLY A 53 0.751 1.100 -7.154 1.00 0.00 H new ATOM 783 N ASP A 54 0.155 -1.883 -6.462 1.00 0.00 N ATOM 784 CA ASP A 54 0.030 -3.269 -6.996 1.00 0.00 C ATOM 785 C ASP A 54 -1.344 -3.833 -6.626 1.00 0.00 C ATOM 786 O ASP A 54 -2.021 -3.322 -5.758 1.00 0.00 O ATOM 787 CB ASP A 54 1.127 -4.148 -6.390 1.00 0.00 C ATOM 788 CG ASP A 54 1.224 -3.883 -4.888 1.00 0.00 C ATOM 789 OD1 ASP A 54 0.243 -3.429 -4.323 1.00 0.00 O ATOM 790 OD2 ASP A 54 2.278 -4.136 -4.328 1.00 0.00 O ATOM 0 H ASP A 54 0.487 -1.817 -5.500 1.00 0.00 H new ATOM 0 HA ASP A 54 0.136 -3.255 -8.081 1.00 0.00 H new ATOM 0 HB2 ASP A 54 0.906 -5.200 -6.570 1.00 0.00 H new ATOM 0 HB3 ASP A 54 2.083 -3.937 -6.869 1.00 0.00 H new ATOM 795 N ILE A 55 -1.760 -4.882 -7.281 1.00 0.00 N ATOM 796 CA ILE A 55 -3.090 -5.478 -6.968 1.00 0.00 C ATOM 797 C ILE A 55 -3.123 -5.913 -5.500 1.00 0.00 C ATOM 798 O ILE A 55 -2.099 -6.104 -4.876 1.00 0.00 O ATOM 799 CB ILE A 55 -3.327 -6.692 -7.869 1.00 0.00 C ATOM 800 CG1 ILE A 55 -3.615 -6.217 -9.294 1.00 0.00 C ATOM 801 CG2 ILE A 55 -4.523 -7.494 -7.351 1.00 0.00 C ATOM 802 CD1 ILE A 55 -3.962 -7.421 -10.173 1.00 0.00 C ATOM 0 H ILE A 55 -1.237 -5.352 -8.019 1.00 0.00 H new ATOM 0 HA ILE A 55 -3.871 -4.738 -7.142 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.439 -7.324 -7.864 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -4.440 -5.505 -9.292 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -2.746 -5.697 -9.698 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -4.689 -8.358 -7.995 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -4.321 -7.833 -6.335 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -5.412 -6.864 -7.354 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -4.167 -7.083 -11.189 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -3.123 -8.117 -10.185 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -4.843 -7.922 -9.772 1.00 0.00 H new ATOM 814 N PHE A 56 -4.295 -6.067 -4.945 1.00 0.00 N ATOM 815 CA PHE A 56 -4.396 -6.486 -3.520 1.00 0.00 C ATOM 816 C PHE A 56 -4.730 -7.980 -3.453 1.00 0.00 C ATOM 817 O PHE A 56 -5.442 -8.505 -4.286 1.00 0.00 O ATOM 818 CB PHE A 56 -5.498 -5.672 -2.828 1.00 0.00 C ATOM 819 CG PHE A 56 -5.933 -6.363 -1.555 1.00 0.00 C ATOM 820 CD1 PHE A 56 -4.984 -6.727 -0.594 1.00 0.00 C ATOM 821 CD2 PHE A 56 -7.288 -6.642 -1.341 1.00 0.00 C ATOM 822 CE1 PHE A 56 -5.389 -7.370 0.581 1.00 0.00 C ATOM 823 CE2 PHE A 56 -7.694 -7.283 -0.166 1.00 0.00 C ATOM 824 CZ PHE A 56 -6.744 -7.648 0.796 1.00 0.00 C ATOM 0 H PHE A 56 -5.187 -5.920 -5.418 1.00 0.00 H new ATOM 0 HA PHE A 56 -3.447 -6.308 -3.014 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -5.133 -4.670 -2.601 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -6.350 -5.556 -3.498 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -3.939 -6.512 -0.759 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -8.020 -6.362 -2.084 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -4.656 -7.652 1.322 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -8.740 -7.496 -0.001 1.00 0.00 H new ATOM 0 HZ PHE A 56 -7.057 -8.144 1.703 1.00 0.00 H new ATOM 905 N LYS A 62 -12.076 -9.708 2.033 1.00 0.00 N ATOM 906 CA LYS A 62 -12.536 -8.870 3.176 1.00 0.00 C ATOM 907 C LYS A 62 -12.900 -7.475 2.670 1.00 0.00 C ATOM 908 O LYS A 62 -13.512 -6.690 3.367 1.00 0.00 O ATOM 909 CB LYS A 62 -11.419 -8.764 4.215 1.00 0.00 C ATOM 910 CG LYS A 62 -11.465 -9.980 5.142 1.00 0.00 C ATOM 911 CD LYS A 62 -12.218 -9.616 6.423 1.00 0.00 C ATOM 912 CE LYS A 62 -11.910 -10.650 7.508 1.00 0.00 C ATOM 913 NZ LYS A 62 -13.027 -11.634 7.587 1.00 0.00 N ATOM 0 HA LYS A 62 -13.412 -9.329 3.634 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -10.450 -8.709 3.718 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -11.533 -7.848 4.794 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -11.958 -10.814 4.642 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -10.453 -10.306 5.382 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -11.925 -8.622 6.760 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -13.290 -9.584 6.230 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -10.975 -11.162 7.282 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -11.778 -10.155 8.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -12.819 -12.337 8.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -13.911 -11.138 7.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -13.132 -12.114 6.670 1.00 0.00 H new ATOM 927 N LEU A 63 -12.534 -7.166 1.461 1.00 0.00 N ATOM 928 CA LEU A 63 -12.861 -5.826 0.897 1.00 0.00 C ATOM 929 C LEU A 63 -14.165 -5.925 0.096 1.00 0.00 C ATOM 930 O LEU A 63 -14.415 -6.923 -0.549 1.00 0.00 O ATOM 931 CB LEU A 63 -11.732 -5.373 -0.033 1.00 0.00 C ATOM 932 CG LEU A 63 -10.505 -4.971 0.787 1.00 0.00 C ATOM 933 CD1 LEU A 63 -9.276 -4.959 -0.120 1.00 0.00 C ATOM 934 CD2 LEU A 63 -10.711 -3.572 1.368 1.00 0.00 C ATOM 0 H LEU A 63 -12.020 -7.785 0.834 1.00 0.00 H new ATOM 0 HA LEU A 63 -12.976 -5.106 1.707 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -11.472 -6.178 -0.721 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -12.066 -4.531 -0.639 1.00 0.00 H new ATOM 0 HG LEU A 63 -10.362 -5.685 1.598 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -8.399 -4.673 0.460 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -9.125 -5.953 -0.541 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -9.427 -4.242 -0.927 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -9.835 -3.288 1.952 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -10.853 -2.858 0.556 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -11.591 -3.571 2.011 1.00 0.00 H new ATOM 946 N PRO A 64 -14.957 -4.884 0.159 1.00 0.00 N ATOM 947 CA PRO A 64 -16.242 -4.836 -0.560 1.00 0.00 C ATOM 948 C PRO A 64 -16.002 -4.911 -2.072 1.00 0.00 C ATOM 949 O PRO A 64 -15.945 -3.906 -2.751 1.00 0.00 O ATOM 950 CB PRO A 64 -16.854 -3.482 -0.180 1.00 0.00 C ATOM 951 CG PRO A 64 -15.843 -2.750 0.740 1.00 0.00 C ATOM 952 CD PRO A 64 -14.639 -3.681 0.946 1.00 0.00 C ATOM 0 HA PRO A 64 -16.896 -5.668 -0.300 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -17.057 -2.890 -1.072 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -17.806 -3.623 0.333 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -15.526 -1.810 0.288 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -16.305 -2.505 1.696 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -13.715 -3.216 0.602 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -14.501 -3.922 2.000 1.00 0.00 H new ATOM 960 N GLY A 65 -15.859 -6.094 -2.601 1.00 0.00 N ATOM 961 CA GLY A 65 -15.622 -6.231 -4.067 1.00 0.00 C ATOM 962 C GLY A 65 -16.476 -7.372 -4.618 1.00 0.00 C ATOM 963 O GLY A 65 -16.838 -8.289 -3.908 1.00 0.00 O ATOM 0 H GLY A 65 -15.896 -6.972 -2.083 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -15.870 -5.299 -4.575 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -14.567 -6.427 -4.259 1.00 0.00 H new ATOM 1031 N THR A 70 -11.049 -6.624 -9.006 1.00 0.00 N ATOM 1032 CA THR A 70 -9.804 -6.735 -8.197 1.00 0.00 C ATOM 1033 C THR A 70 -9.694 -5.531 -7.261 1.00 0.00 C ATOM 1034 O THR A 70 -10.544 -4.662 -7.250 1.00 0.00 O ATOM 1035 CB THR A 70 -8.591 -6.768 -9.131 1.00 0.00 C ATOM 1036 OG1 THR A 70 -8.951 -7.403 -10.350 1.00 0.00 O ATOM 1037 CG2 THR A 70 -7.454 -7.546 -8.467 1.00 0.00 C ATOM 0 HA THR A 70 -9.834 -7.651 -7.607 1.00 0.00 H new ATOM 0 HB THR A 70 -8.261 -5.749 -9.334 1.00 0.00 H new ATOM 0 HG1 THR A 70 -9.927 -7.476 -10.405 1.00 0.00 H new ATOM 0 HG21 THR A 70 -6.591 -7.569 -9.133 1.00 0.00 H new ATOM 0 HG22 THR A 70 -7.178 -7.059 -7.532 1.00 0.00 H new ATOM 0 HG23 THR A 70 -7.781 -8.565 -8.263 1.00 0.00 H new ATOM 1045 N TRP A 71 -8.655 -5.470 -6.475 1.00 0.00 N ATOM 1046 CA TRP A 71 -8.493 -4.321 -5.541 1.00 0.00 C ATOM 1047 C TRP A 71 -7.073 -3.766 -5.657 1.00 0.00 C ATOM 1048 O TRP A 71 -6.209 -4.365 -6.265 1.00 0.00 O ATOM 1049 CB TRP A 71 -8.731 -4.793 -4.106 1.00 0.00 C ATOM 1050 CG TRP A 71 -10.156 -4.555 -3.729 1.00 0.00 C ATOM 1051 CD1 TRP A 71 -11.204 -5.288 -4.163 1.00 0.00 C ATOM 1052 CD2 TRP A 71 -10.707 -3.533 -2.848 1.00 0.00 C ATOM 1053 NE1 TRP A 71 -12.365 -4.783 -3.604 1.00 0.00 N ATOM 1054 CE2 TRP A 71 -12.110 -3.700 -2.789 1.00 0.00 C ATOM 1055 CE3 TRP A 71 -10.131 -2.489 -2.104 1.00 0.00 C ATOM 1056 CZ2 TRP A 71 -12.915 -2.860 -2.018 1.00 0.00 C ATOM 1057 CZ3 TRP A 71 -10.938 -1.643 -1.326 1.00 0.00 C ATOM 1058 CH2 TRP A 71 -12.327 -1.829 -1.283 1.00 0.00 C ATOM 0 H TRP A 71 -7.911 -6.167 -6.439 1.00 0.00 H new ATOM 0 HA TRP A 71 -9.213 -3.544 -5.796 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -8.493 -5.853 -4.017 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -8.070 -4.260 -3.423 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -11.146 -6.130 -4.836 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -13.295 -5.165 -3.774 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -9.062 -2.337 -2.131 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -13.985 -3.007 -1.990 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -10.486 -0.844 -0.757 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -12.941 -1.175 -0.682 1.00 0.00 H new ATOM 1069 N ARG A 72 -6.825 -2.630 -5.070 1.00 0.00 N ATOM 1070 CA ARG A 72 -5.460 -2.041 -5.135 1.00 0.00 C ATOM 1071 C ARG A 72 -4.927 -1.876 -3.712 1.00 0.00 C ATOM 1072 O ARG A 72 -5.638 -1.455 -2.820 1.00 0.00 O ATOM 1073 CB ARG A 72 -5.525 -0.678 -5.823 1.00 0.00 C ATOM 1074 CG ARG A 72 -6.262 -0.814 -7.158 1.00 0.00 C ATOM 1075 CD ARG A 72 -5.545 -1.841 -8.037 1.00 0.00 C ATOM 1076 NE ARG A 72 -6.392 -2.152 -9.223 1.00 0.00 N ATOM 1077 CZ ARG A 72 -5.875 -2.767 -10.251 1.00 0.00 C ATOM 1078 NH1 ARG A 72 -4.767 -2.331 -10.784 1.00 0.00 N ATOM 1079 NH2 ARG A 72 -6.466 -3.821 -10.747 1.00 0.00 N ATOM 0 H ARG A 72 -7.509 -2.083 -4.547 1.00 0.00 H new ATOM 0 HA ARG A 72 -4.798 -2.695 -5.703 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -6.039 0.040 -5.183 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -4.518 -0.294 -5.989 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -7.293 -1.124 -6.986 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -6.299 0.150 -7.664 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -4.579 -1.451 -8.358 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -5.348 -2.750 -7.468 1.00 0.00 H new ATOM 0 HE ARG A 72 -7.376 -1.884 -9.231 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -4.304 -1.509 -10.397 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -4.364 -2.813 -11.588 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -7.332 -4.163 -10.331 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -6.062 -4.302 -11.551 1.00 0.00 H new ATOM 1093 N GLU A 73 -3.689 -2.218 -3.483 1.00 0.00 N ATOM 1094 CA GLU A 73 -3.135 -2.091 -2.106 1.00 0.00 C ATOM 1095 C GLU A 73 -1.956 -1.118 -2.094 1.00 0.00 C ATOM 1096 O GLU A 73 -1.368 -0.814 -3.116 1.00 0.00 O ATOM 1097 CB GLU A 73 -2.660 -3.463 -1.624 1.00 0.00 C ATOM 1098 CG GLU A 73 -1.435 -3.890 -2.433 1.00 0.00 C ATOM 1099 CD GLU A 73 -1.012 -5.300 -2.017 1.00 0.00 C ATOM 1100 OE1 GLU A 73 -1.031 -5.576 -0.829 1.00 0.00 O ATOM 1101 OE2 GLU A 73 -0.674 -6.078 -2.893 1.00 0.00 O ATOM 0 H GLU A 73 -3.041 -2.577 -4.184 1.00 0.00 H new ATOM 0 HA GLU A 73 -3.915 -1.711 -1.445 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -2.413 -3.422 -0.563 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -3.458 -4.197 -1.737 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -1.664 -3.868 -3.498 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -0.616 -3.190 -2.268 1.00 0.00 H new ATOM 1108 N ALA A 74 -1.604 -0.634 -0.934 1.00 0.00 N ATOM 1109 CA ALA A 74 -0.459 0.312 -0.827 1.00 0.00 C ATOM 1110 C ALA A 74 0.156 0.192 0.569 1.00 0.00 C ATOM 1111 O ALA A 74 -0.527 -0.081 1.537 1.00 0.00 O ATOM 1112 CB ALA A 74 -0.948 1.743 -1.050 1.00 0.00 C ATOM 0 H ALA A 74 -2.064 -0.855 -0.051 1.00 0.00 H new ATOM 0 HA ALA A 74 0.288 0.070 -1.583 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -0.107 2.432 -0.971 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -1.392 1.825 -2.042 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -1.694 1.994 -0.296 1.00 0.00 H new ATOM 1118 N ASP A 75 1.439 0.391 0.680 1.00 0.00 N ATOM 1119 CA ASP A 75 2.098 0.282 2.013 1.00 0.00 C ATOM 1120 C ASP A 75 1.697 1.474 2.883 1.00 0.00 C ATOM 1121 O ASP A 75 1.595 2.590 2.414 1.00 0.00 O ATOM 1122 CB ASP A 75 3.618 0.271 1.831 1.00 0.00 C ATOM 1123 CG ASP A 75 4.172 -1.093 2.242 1.00 0.00 C ATOM 1124 OD1 ASP A 75 4.184 -1.983 1.408 1.00 0.00 O ATOM 1125 OD2 ASP A 75 4.576 -1.226 3.386 1.00 0.00 O ATOM 0 H ASP A 75 2.061 0.624 -0.094 1.00 0.00 H new ATOM 0 HA ASP A 75 1.783 -0.642 2.498 1.00 0.00 H new ATOM 0 HB2 ASP A 75 3.872 0.480 0.792 1.00 0.00 H new ATOM 0 HB3 ASP A 75 4.073 1.057 2.434 1.00 0.00 H new ATOM 1130 N ILE A 76 1.470 1.248 4.148 1.00 0.00 N ATOM 1131 CA ILE A 76 1.078 2.370 5.045 1.00 0.00 C ATOM 1132 C ILE A 76 1.890 2.298 6.338 1.00 0.00 C ATOM 1133 O ILE A 76 1.989 1.261 6.965 1.00 0.00 O ATOM 1134 CB ILE A 76 -0.413 2.264 5.370 1.00 0.00 C ATOM 1135 CG1 ILE A 76 -1.227 2.437 4.085 1.00 0.00 C ATOM 1136 CG2 ILE A 76 -0.800 3.357 6.367 1.00 0.00 C ATOM 1137 CD1 ILE A 76 -1.144 3.892 3.618 1.00 0.00 C ATOM 0 H ILE A 76 1.539 0.335 4.598 1.00 0.00 H new ATOM 0 HA ILE A 76 1.275 3.320 4.547 1.00 0.00 H new ATOM 0 HB ILE A 76 -0.620 1.287 5.806 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.846 1.773 3.309 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -2.266 2.159 4.260 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -1.863 3.280 6.597 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -0.221 3.236 7.282 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -0.593 4.335 5.933 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -1.724 4.014 2.703 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -1.545 4.546 4.392 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -0.103 4.154 3.426 1.00 0.00 H new ATOM 1149 N ASN A 77 2.475 3.391 6.744 1.00 0.00 N ATOM 1150 CA ASN A 77 3.283 3.385 7.996 1.00 0.00 C ATOM 1151 C ASN A 77 4.600 2.648 7.749 1.00 0.00 C ATOM 1152 O ASN A 77 5.087 1.926 8.595 1.00 0.00 O ATOM 1153 CB ASN A 77 2.500 2.676 9.103 1.00 0.00 C ATOM 1154 CG ASN A 77 2.268 3.642 10.266 1.00 0.00 C ATOM 1155 OD1 ASN A 77 2.705 4.775 10.225 1.00 0.00 O ATOM 1156 ND2 ASN A 77 1.594 3.240 11.309 1.00 0.00 N ATOM 0 H ASN A 77 2.428 4.289 6.262 1.00 0.00 H new ATOM 0 HA ASN A 77 3.493 4.411 8.299 1.00 0.00 H new ATOM 0 HB2 ASN A 77 1.545 2.320 8.716 1.00 0.00 H new ATOM 0 HB3 ASN A 77 3.050 1.801 9.448 1.00 0.00 H new ATOM 0 HD21 ASN A 77 1.434 3.877 12.089 1.00 0.00 H new ATOM 0 HD22 ASN A 77 1.227 2.289 11.344 1.00 0.00 H new ATOM 1163 N TYR A 78 5.177 2.820 6.591 1.00 0.00 N ATOM 1164 CA TYR A 78 6.454 2.129 6.285 1.00 0.00 C ATOM 1165 C TYR A 78 7.578 2.726 7.136 1.00 0.00 C ATOM 1166 O TYR A 78 7.683 3.926 7.291 1.00 0.00 O ATOM 1167 CB TYR A 78 6.786 2.308 4.800 1.00 0.00 C ATOM 1168 CG TYR A 78 8.208 1.872 4.542 1.00 0.00 C ATOM 1169 CD1 TYR A 78 9.261 2.775 4.728 1.00 0.00 C ATOM 1170 CD2 TYR A 78 8.475 0.566 4.116 1.00 0.00 C ATOM 1171 CE1 TYR A 78 10.580 2.372 4.490 1.00 0.00 C ATOM 1172 CE2 TYR A 78 9.794 0.162 3.876 1.00 0.00 C ATOM 1173 CZ TYR A 78 10.846 1.066 4.063 1.00 0.00 C ATOM 1174 OH TYR A 78 12.146 0.669 3.826 1.00 0.00 O ATOM 0 H TYR A 78 4.815 3.412 5.844 1.00 0.00 H new ATOM 0 HA TYR A 78 6.355 1.067 6.511 1.00 0.00 H new ATOM 0 HB2 TYR A 78 6.099 1.721 4.190 1.00 0.00 H new ATOM 0 HB3 TYR A 78 6.657 3.351 4.511 1.00 0.00 H new ATOM 0 HD1 TYR A 78 9.056 3.783 5.055 1.00 0.00 H new ATOM 0 HD2 TYR A 78 7.663 -0.131 3.972 1.00 0.00 H new ATOM 0 HE1 TYR A 78 11.392 3.069 4.636 1.00 0.00 H new ATOM 0 HE2 TYR A 78 9.999 -0.846 3.547 1.00 0.00 H new ATOM 0 HH TYR A 78 12.489 1.130 3.032 1.00 0.00 H new ATOM 1184 N THR A 79 8.420 1.896 7.688 1.00 0.00 N ATOM 1185 CA THR A 79 9.537 2.412 8.526 1.00 0.00 C ATOM 1186 C THR A 79 10.813 1.649 8.193 1.00 0.00 C ATOM 1187 O THR A 79 11.663 2.115 7.460 1.00 0.00 O ATOM 1188 CB THR A 79 9.197 2.218 10.006 1.00 0.00 C ATOM 1189 OG1 THR A 79 8.365 1.075 10.153 1.00 0.00 O ATOM 1190 CG2 THR A 79 8.465 3.455 10.529 1.00 0.00 C ATOM 0 H THR A 79 8.382 0.881 7.594 1.00 0.00 H new ATOM 0 HA THR A 79 9.684 3.473 8.324 1.00 0.00 H new ATOM 0 HB THR A 79 10.116 2.075 10.575 1.00 0.00 H new ATOM 0 HG1 THR A 79 8.148 0.948 11.100 1.00 0.00 H new ATOM 0 HG21 THR A 79 8.223 3.316 11.583 1.00 0.00 H new ATOM 0 HG22 THR A 79 9.104 4.331 10.416 1.00 0.00 H new ATOM 0 HG23 THR A 79 7.546 3.601 9.962 1.00 0.00 H new ATOM 1198 N SER A 80 10.946 0.479 8.730 1.00 0.00 N ATOM 1199 CA SER A 80 12.161 -0.340 8.460 1.00 0.00 C ATOM 1200 C SER A 80 11.959 -1.751 9.022 1.00 0.00 C ATOM 1201 O SER A 80 10.963 -2.041 9.654 1.00 0.00 O ATOM 1202 CB SER A 80 13.376 0.316 9.124 1.00 0.00 C ATOM 1203 OG SER A 80 14.035 -0.627 9.960 1.00 0.00 O ATOM 0 H SER A 80 10.263 0.045 9.351 1.00 0.00 H new ATOM 0 HA SER A 80 12.330 -0.402 7.385 1.00 0.00 H new ATOM 0 HB2 SER A 80 14.064 0.684 8.363 1.00 0.00 H new ATOM 0 HB3 SER A 80 13.060 1.178 9.711 1.00 0.00 H new ATOM 0 HG SER A 80 14.812 -0.204 10.381 1.00 0.00 H new ATOM 1209 N GLY A 81 12.898 -2.629 8.796 1.00 0.00 N ATOM 1210 CA GLY A 81 12.760 -4.019 9.316 1.00 0.00 C ATOM 1211 C GLY A 81 11.703 -4.768 8.503 1.00 0.00 C ATOM 1212 O GLY A 81 10.605 -5.008 8.965 1.00 0.00 O ATOM 0 H GLY A 81 13.754 -2.444 8.274 1.00 0.00 H new ATOM 0 HA2 GLY A 81 13.716 -4.538 9.254 1.00 0.00 H new ATOM 0 HA3 GLY A 81 12.477 -3.998 10.368 1.00 0.00 H new ATOM 1216 N PHE A 82 12.026 -5.141 7.294 1.00 0.00 N ATOM 1217 CA PHE A 82 11.039 -5.874 6.453 1.00 0.00 C ATOM 1218 C PHE A 82 9.760 -5.045 6.328 1.00 0.00 C ATOM 1219 O PHE A 82 9.538 -4.113 7.076 1.00 0.00 O ATOM 1220 CB PHE A 82 10.713 -7.220 7.105 1.00 0.00 C ATOM 1221 CG PHE A 82 11.563 -8.300 6.480 1.00 0.00 C ATOM 1222 CD1 PHE A 82 12.947 -8.314 6.692 1.00 0.00 C ATOM 1223 CD2 PHE A 82 10.967 -9.289 5.687 1.00 0.00 C ATOM 1224 CE1 PHE A 82 13.734 -9.315 6.112 1.00 0.00 C ATOM 1225 CE2 PHE A 82 11.754 -10.290 5.107 1.00 0.00 C ATOM 1226 CZ PHE A 82 13.138 -10.304 5.320 1.00 0.00 C ATOM 0 H PHE A 82 12.930 -4.970 6.854 1.00 0.00 H new ATOM 0 HA PHE A 82 11.461 -6.043 5.462 1.00 0.00 H new ATOM 0 HB2 PHE A 82 10.899 -7.171 8.178 1.00 0.00 H new ATOM 0 HB3 PHE A 82 9.656 -7.453 6.975 1.00 0.00 H new ATOM 0 HD1 PHE A 82 13.407 -7.552 7.303 1.00 0.00 H new ATOM 0 HD2 PHE A 82 9.900 -9.279 5.523 1.00 0.00 H new ATOM 0 HE1 PHE A 82 14.802 -9.325 6.275 1.00 0.00 H new ATOM 0 HE2 PHE A 82 11.294 -11.052 4.495 1.00 0.00 H new ATOM 0 HZ PHE A 82 13.745 -11.077 4.874 1.00 0.00 H new ATOM 1236 N ARG A 83 8.916 -5.373 5.388 1.00 0.00 N ATOM 1237 CA ARG A 83 7.653 -4.600 5.218 1.00 0.00 C ATOM 1238 C ARG A 83 6.959 -4.455 6.573 1.00 0.00 C ATOM 1239 O ARG A 83 7.354 -5.057 7.552 1.00 0.00 O ATOM 1240 CB ARG A 83 6.731 -5.339 4.247 1.00 0.00 C ATOM 1241 CG ARG A 83 6.840 -4.706 2.858 1.00 0.00 C ATOM 1242 CD ARG A 83 7.566 -5.668 1.915 1.00 0.00 C ATOM 1243 NE ARG A 83 6.738 -6.889 1.715 1.00 0.00 N ATOM 1244 CZ ARG A 83 7.007 -7.708 0.735 1.00 0.00 C ATOM 1245 NH1 ARG A 83 8.058 -8.479 0.799 1.00 0.00 N ATOM 1246 NH2 ARG A 83 6.226 -7.755 -0.309 1.00 0.00 N ATOM 0 H ARG A 83 9.046 -6.142 4.731 1.00 0.00 H new ATOM 0 HA ARG A 83 7.881 -3.611 4.820 1.00 0.00 H new ATOM 0 HB2 ARG A 83 7.004 -6.393 4.200 1.00 0.00 H new ATOM 0 HB3 ARG A 83 5.701 -5.292 4.600 1.00 0.00 H new ATOM 0 HG2 ARG A 83 5.847 -4.480 2.470 1.00 0.00 H new ATOM 0 HG3 ARG A 83 7.381 -3.762 2.918 1.00 0.00 H new ATOM 0 HD2 ARG A 83 7.754 -5.182 0.957 1.00 0.00 H new ATOM 0 HD3 ARG A 83 8.537 -5.938 2.331 1.00 0.00 H new ATOM 0 HE ARG A 83 5.960 -7.086 2.344 1.00 0.00 H new ATOM 0 HH11 ARG A 83 8.669 -8.442 1.615 1.00 0.00 H new ATOM 0 HH12 ARG A 83 8.268 -9.119 0.033 1.00 0.00 H new ATOM 0 HH21 ARG A 83 5.405 -7.152 -0.359 1.00 0.00 H new ATOM 0 HH22 ARG A 83 6.436 -8.395 -1.075 1.00 0.00 H new ATOM 1260 N ASN A 84 5.922 -3.664 6.639 1.00 0.00 N ATOM 1261 CA ASN A 84 5.203 -3.487 7.934 1.00 0.00 C ATOM 1262 C ASN A 84 3.850 -4.198 7.861 1.00 0.00 C ATOM 1263 O ASN A 84 3.552 -4.887 6.905 1.00 0.00 O ATOM 1264 CB ASN A 84 4.983 -1.993 8.223 1.00 0.00 C ATOM 1265 CG ASN A 84 5.157 -1.171 6.942 1.00 0.00 C ATOM 1266 OD1 ASN A 84 6.189 -1.231 6.303 1.00 0.00 O ATOM 1267 ND2 ASN A 84 4.187 -0.395 6.542 1.00 0.00 N ATOM 0 H ASN A 84 5.542 -3.134 5.855 1.00 0.00 H new ATOM 0 HA ASN A 84 5.804 -3.915 8.736 1.00 0.00 H new ATOM 0 HB2 ASN A 84 3.984 -1.838 8.630 1.00 0.00 H new ATOM 0 HB3 ASN A 84 5.691 -1.654 8.979 1.00 0.00 H new ATOM 0 HD21 ASN A 84 4.295 0.161 5.694 1.00 0.00 H new ATOM 0 HD22 ASN A 84 3.321 -0.344 7.078 1.00 0.00 H new ATOM 1274 N SER A 85 3.031 -4.044 8.865 1.00 0.00 N ATOM 1275 CA SER A 85 1.701 -4.719 8.850 1.00 0.00 C ATOM 1276 C SER A 85 0.609 -3.702 8.512 1.00 0.00 C ATOM 1277 O SER A 85 -0.534 -4.055 8.296 1.00 0.00 O ATOM 1278 CB SER A 85 1.423 -5.325 10.226 1.00 0.00 C ATOM 1279 OG SER A 85 2.651 -5.730 10.818 1.00 0.00 O ATOM 0 H SER A 85 3.224 -3.481 9.694 1.00 0.00 H new ATOM 0 HA SER A 85 1.705 -5.507 8.097 1.00 0.00 H new ATOM 0 HB2 SER A 85 0.922 -4.596 10.863 1.00 0.00 H new ATOM 0 HB3 SER A 85 0.753 -6.179 10.131 1.00 0.00 H new ATOM 0 HG SER A 85 2.476 -6.117 11.701 1.00 0.00 H new ATOM 1285 N ASP A 86 0.948 -2.443 8.467 1.00 0.00 N ATOM 1286 CA ASP A 86 -0.077 -1.411 8.143 1.00 0.00 C ATOM 1287 C ASP A 86 -0.098 -1.165 6.634 1.00 0.00 C ATOM 1288 O ASP A 86 0.922 -0.919 6.020 1.00 0.00 O ATOM 1289 CB ASP A 86 0.263 -0.106 8.864 1.00 0.00 C ATOM 1290 CG ASP A 86 0.065 -0.289 10.370 1.00 0.00 C ATOM 1291 OD1 ASP A 86 0.406 -1.349 10.869 1.00 0.00 O ATOM 1292 OD2 ASP A 86 -0.422 0.635 11.001 1.00 0.00 O ATOM 0 H ASP A 86 1.887 -2.085 8.640 1.00 0.00 H new ATOM 0 HA ASP A 86 -1.056 -1.762 8.468 1.00 0.00 H new ATOM 0 HB2 ASP A 86 1.294 0.180 8.654 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -0.373 0.700 8.498 1.00 0.00 H new ATOM 1297 N ARG A 87 -1.254 -1.227 6.032 1.00 0.00 N ATOM 1298 CA ARG A 87 -1.344 -0.995 4.560 1.00 0.00 C ATOM 1299 C ARG A 87 -2.772 -0.586 4.201 1.00 0.00 C ATOM 1300 O ARG A 87 -3.713 -0.972 4.857 1.00 0.00 O ATOM 1301 CB ARG A 87 -0.980 -2.283 3.815 1.00 0.00 C ATOM 1302 CG ARG A 87 0.528 -2.520 3.910 1.00 0.00 C ATOM 1303 CD ARG A 87 1.022 -3.197 2.631 1.00 0.00 C ATOM 1304 NE ARG A 87 1.822 -4.403 2.987 1.00 0.00 N ATOM 1305 CZ ARG A 87 2.099 -5.295 2.075 1.00 0.00 C ATOM 1306 NH1 ARG A 87 1.944 -5.004 0.812 1.00 0.00 N ATOM 1307 NH2 ARG A 87 2.531 -6.475 2.425 1.00 0.00 N ATOM 0 H ARG A 87 -2.141 -1.428 6.494 1.00 0.00 H new ATOM 0 HA ARG A 87 -0.652 -0.203 4.272 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -1.519 -3.128 4.243 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -1.282 -2.209 2.770 1.00 0.00 H new ATOM 0 HG2 ARG A 87 1.047 -1.573 4.056 1.00 0.00 H new ATOM 0 HG3 ARG A 87 0.755 -3.144 4.775 1.00 0.00 H new ATOM 0 HD2 ARG A 87 0.175 -3.480 2.006 1.00 0.00 H new ATOM 0 HD3 ARG A 87 1.629 -2.503 2.050 1.00 0.00 H new ATOM 0 HE ARG A 87 2.153 -4.531 3.943 1.00 0.00 H new ATOM 0 HH11 ARG A 87 1.607 -4.081 0.539 1.00 0.00 H new ATOM 0 HH12 ARG A 87 2.160 -5.700 0.098 1.00 0.00 H new ATOM 0 HH21 ARG A 87 2.653 -6.701 3.412 1.00 0.00 H new ATOM 0 HH22 ARG A 87 2.747 -7.171 1.712 1.00 0.00 H new ATOM 1321 N ILE A 88 -2.948 0.192 3.168 1.00 0.00 N ATOM 1322 CA ILE A 88 -4.328 0.615 2.792 1.00 0.00 C ATOM 1323 C ILE A 88 -4.757 -0.090 1.502 1.00 0.00 C ATOM 1324 O ILE A 88 -3.944 -0.412 0.657 1.00 0.00 O ATOM 1325 CB ILE A 88 -4.361 2.130 2.587 1.00 0.00 C ATOM 1326 CG1 ILE A 88 -5.815 2.606 2.527 1.00 0.00 C ATOM 1327 CG2 ILE A 88 -3.657 2.486 1.279 1.00 0.00 C ATOM 1328 CD1 ILE A 88 -5.920 4.000 3.147 1.00 0.00 C ATOM 0 H ILE A 88 -2.202 0.551 2.572 1.00 0.00 H new ATOM 0 HA ILE A 88 -5.017 0.342 3.592 1.00 0.00 H new ATOM 0 HB ILE A 88 -3.851 2.618 3.418 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -6.159 2.629 1.493 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -6.460 1.909 3.062 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -3.682 3.566 1.135 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -2.621 2.149 1.320 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -4.165 1.997 0.448 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -6.955 4.340 3.105 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -5.593 3.962 4.186 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -5.287 4.693 2.593 1.00 0.00 H new ATOM 1340 N LEU A 89 -6.031 -0.335 1.350 1.00 0.00 N ATOM 1341 CA LEU A 89 -6.526 -1.022 0.122 1.00 0.00 C ATOM 1342 C LEU A 89 -7.561 -0.135 -0.577 1.00 0.00 C ATOM 1343 O LEU A 89 -8.677 -0.001 -0.122 1.00 0.00 O ATOM 1344 CB LEU A 89 -7.194 -2.346 0.510 1.00 0.00 C ATOM 1345 CG LEU A 89 -6.133 -3.367 0.922 1.00 0.00 C ATOM 1346 CD1 LEU A 89 -5.063 -3.454 -0.162 1.00 0.00 C ATOM 1347 CD2 LEU A 89 -5.490 -2.937 2.243 1.00 0.00 C ATOM 0 H LEU A 89 -6.753 -0.088 2.027 1.00 0.00 H new ATOM 0 HA LEU A 89 -5.686 -1.212 -0.546 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -7.892 -2.183 1.331 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -7.773 -2.730 -0.330 1.00 0.00 H new ATOM 0 HG LEU A 89 -6.601 -4.343 1.050 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -4.306 -4.182 0.131 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -5.521 -3.765 -1.101 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -4.596 -2.478 -0.292 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -4.734 -3.666 2.534 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -5.023 -1.960 2.119 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -6.255 -2.878 3.018 1.00 0.00 H new ATOM 1359 N TYR A 90 -7.213 0.461 -1.685 1.00 0.00 N ATOM 1360 CA TYR A 90 -8.203 1.317 -2.397 1.00 0.00 C ATOM 1361 C TYR A 90 -8.771 0.540 -3.590 1.00 0.00 C ATOM 1362 O TYR A 90 -8.065 -0.188 -4.260 1.00 0.00 O ATOM 1363 CB TYR A 90 -7.546 2.618 -2.875 1.00 0.00 C ATOM 1364 CG TYR A 90 -6.287 2.328 -3.657 1.00 0.00 C ATOM 1365 CD1 TYR A 90 -5.088 2.062 -2.985 1.00 0.00 C ATOM 1366 CD2 TYR A 90 -6.315 2.342 -5.057 1.00 0.00 C ATOM 1367 CE1 TYR A 90 -3.918 1.806 -3.711 1.00 0.00 C ATOM 1368 CE2 TYR A 90 -5.146 2.089 -5.783 1.00 0.00 C ATOM 1369 CZ TYR A 90 -3.947 1.820 -5.111 1.00 0.00 C ATOM 1370 OH TYR A 90 -2.795 1.570 -5.827 1.00 0.00 O ATOM 0 H TYR A 90 -6.295 0.393 -2.124 1.00 0.00 H new ATOM 0 HA TYR A 90 -9.010 1.578 -1.713 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -8.245 3.176 -3.497 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -7.310 3.248 -2.017 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -5.065 2.054 -1.905 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -7.239 2.548 -5.576 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -2.994 1.598 -3.192 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -5.168 2.101 -6.863 1.00 0.00 H new ATOM 0 HH TYR A 90 -2.989 1.617 -6.786 1.00 0.00 H new ATOM 1380 N SER A 91 -10.046 0.673 -3.847 1.00 0.00 N ATOM 1381 CA SER A 91 -10.660 -0.077 -4.984 1.00 0.00 C ATOM 1382 C SER A 91 -10.949 0.871 -6.151 1.00 0.00 C ATOM 1383 O SER A 91 -10.783 2.070 -6.051 1.00 0.00 O ATOM 1384 CB SER A 91 -11.968 -0.720 -4.520 1.00 0.00 C ATOM 1385 OG SER A 91 -12.319 -1.766 -5.414 1.00 0.00 O ATOM 0 H SER A 91 -10.687 1.266 -3.321 1.00 0.00 H new ATOM 0 HA SER A 91 -9.964 -0.847 -5.316 1.00 0.00 H new ATOM 0 HB2 SER A 91 -11.855 -1.112 -3.509 1.00 0.00 H new ATOM 0 HB3 SER A 91 -12.762 0.026 -4.486 1.00 0.00 H new ATOM 0 HG SER A 91 -12.374 -2.612 -4.922 1.00 0.00 H new ATOM 1391 N SER A 92 -11.381 0.334 -7.263 1.00 0.00 N ATOM 1392 CA SER A 92 -11.680 1.194 -8.445 1.00 0.00 C ATOM 1393 C SER A 92 -12.867 2.100 -8.131 1.00 0.00 C ATOM 1394 O SER A 92 -13.049 3.135 -8.740 1.00 0.00 O ATOM 1395 CB SER A 92 -12.012 0.314 -9.651 1.00 0.00 C ATOM 1396 OG SER A 92 -13.351 -0.151 -9.538 1.00 0.00 O ATOM 0 H SER A 92 -11.539 -0.664 -7.403 1.00 0.00 H new ATOM 0 HA SER A 92 -10.808 1.806 -8.675 1.00 0.00 H new ATOM 0 HB2 SER A 92 -11.888 0.880 -10.574 1.00 0.00 H new ATOM 0 HB3 SER A 92 -11.324 -0.530 -9.700 1.00 0.00 H new ATOM 0 HG SER A 92 -13.568 -0.714 -10.310 1.00 0.00 H new ATOM 1402 N ASP A 93 -13.666 1.725 -7.179 1.00 0.00 N ATOM 1403 CA ASP A 93 -14.831 2.563 -6.815 1.00 0.00 C ATOM 1404 C ASP A 93 -14.405 3.563 -5.738 1.00 0.00 C ATOM 1405 O ASP A 93 -15.221 4.171 -5.075 1.00 0.00 O ATOM 1406 CB ASP A 93 -15.969 1.679 -6.298 1.00 0.00 C ATOM 1407 CG ASP A 93 -15.632 1.165 -4.899 1.00 0.00 C ATOM 1408 OD1 ASP A 93 -14.485 1.287 -4.504 1.00 0.00 O ATOM 1409 OD2 ASP A 93 -16.527 0.654 -4.250 1.00 0.00 O ATOM 0 H ASP A 93 -13.561 0.869 -6.635 1.00 0.00 H new ATOM 0 HA ASP A 93 -15.186 3.103 -7.693 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -16.899 2.246 -6.272 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -16.126 0.840 -6.975 1.00 0.00 H new ATOM 1414 N TRP A 94 -13.121 3.738 -5.575 1.00 0.00 N ATOM 1415 CA TRP A 94 -12.600 4.699 -4.565 1.00 0.00 C ATOM 1416 C TRP A 94 -12.912 4.218 -3.147 1.00 0.00 C ATOM 1417 O TRP A 94 -13.050 5.007 -2.234 1.00 0.00 O ATOM 1418 CB TRP A 94 -13.217 6.079 -4.794 1.00 0.00 C ATOM 1419 CG TRP A 94 -12.296 6.886 -5.651 1.00 0.00 C ATOM 1420 CD1 TRP A 94 -12.683 7.672 -6.681 1.00 0.00 C ATOM 1421 CD2 TRP A 94 -10.844 6.993 -5.575 1.00 0.00 C ATOM 1422 NE1 TRP A 94 -11.561 8.256 -7.243 1.00 0.00 N ATOM 1423 CE2 TRP A 94 -10.404 7.868 -6.596 1.00 0.00 C ATOM 1424 CE3 TRP A 94 -9.875 6.423 -4.728 1.00 0.00 C ATOM 1425 CZ2 TRP A 94 -9.051 8.165 -6.772 1.00 0.00 C ATOM 1426 CZ3 TRP A 94 -8.514 6.720 -4.904 1.00 0.00 C ATOM 1427 CH2 TRP A 94 -8.103 7.589 -5.922 1.00 0.00 C ATOM 0 H TRP A 94 -12.402 3.248 -6.108 1.00 0.00 H new ATOM 0 HA TRP A 94 -11.518 4.764 -4.677 1.00 0.00 H new ATOM 0 HB2 TRP A 94 -14.190 5.981 -5.275 1.00 0.00 H new ATOM 0 HB3 TRP A 94 -13.381 6.581 -3.841 1.00 0.00 H new ATOM 0 HD1 TRP A 94 -13.701 7.820 -7.011 1.00 0.00 H new ATOM 0 HE1 TRP A 94 -11.586 8.895 -8.038 1.00 0.00 H new ATOM 0 HE3 TRP A 94 -10.180 5.753 -3.938 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 -8.739 8.835 -7.560 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 -7.779 6.275 -4.250 1.00 0.00 H new ATOM 0 HH2 TRP A 94 -7.054 7.814 -6.050 1.00 0.00 H new ATOM 1438 N LEU A 95 -12.992 2.933 -2.941 1.00 0.00 N ATOM 1439 CA LEU A 95 -13.258 2.424 -1.567 1.00 0.00 C ATOM 1440 C LEU A 95 -11.916 2.281 -0.853 1.00 0.00 C ATOM 1441 O LEU A 95 -11.058 1.535 -1.282 1.00 0.00 O ATOM 1442 CB LEU A 95 -13.947 1.058 -1.630 1.00 0.00 C ATOM 1443 CG LEU A 95 -15.467 1.235 -1.669 1.00 0.00 C ATOM 1444 CD1 LEU A 95 -16.142 -0.130 -1.524 1.00 0.00 C ATOM 1445 CD2 LEU A 95 -15.911 2.141 -0.517 1.00 0.00 C ATOM 0 H LEU A 95 -12.885 2.217 -3.660 1.00 0.00 H new ATOM 0 HA LEU A 95 -13.911 3.116 -1.034 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -13.614 0.515 -2.514 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -13.665 0.460 -0.763 1.00 0.00 H new ATOM 0 HG LEU A 95 -15.752 1.688 -2.619 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -17.224 -0.005 -1.552 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -15.830 -0.779 -2.343 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -15.853 -0.580 -0.574 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -16.994 2.265 -0.548 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -15.624 1.689 0.433 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -15.432 3.115 -0.615 1.00 0.00 H new ATOM 1457 N ILE A 96 -11.712 3.001 0.214 1.00 0.00 N ATOM 1458 CA ILE A 96 -10.405 2.905 0.921 1.00 0.00 C ATOM 1459 C ILE A 96 -10.570 2.189 2.263 1.00 0.00 C ATOM 1460 O ILE A 96 -11.195 2.690 3.181 1.00 0.00 O ATOM 1461 CB ILE A 96 -9.847 4.309 1.155 1.00 0.00 C ATOM 1462 CG1 ILE A 96 -10.163 5.191 -0.054 1.00 0.00 C ATOM 1463 CG2 ILE A 96 -8.331 4.224 1.337 1.00 0.00 C ATOM 1464 CD1 ILE A 96 -9.477 6.549 0.109 1.00 0.00 C ATOM 0 H ILE A 96 -12.387 3.646 0.624 1.00 0.00 H new ATOM 0 HA ILE A 96 -9.714 2.332 0.303 1.00 0.00 H new ATOM 0 HB ILE A 96 -10.301 4.739 2.048 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -9.822 4.707 -0.969 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -11.241 5.325 -0.147 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -7.928 5.223 1.504 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -8.102 3.592 2.195 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -7.880 3.796 0.441 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -9.703 7.177 -0.753 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -9.840 7.033 1.016 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -8.399 6.406 0.181 1.00 0.00 H new ATOM 1476 N TYR A 97 -9.990 1.027 2.385 1.00 0.00 N ATOM 1477 CA TYR A 97 -10.075 0.267 3.660 1.00 0.00 C ATOM 1478 C TYR A 97 -8.676 0.208 4.275 1.00 0.00 C ATOM 1479 O TYR A 97 -7.779 -0.404 3.733 1.00 0.00 O ATOM 1480 CB TYR A 97 -10.567 -1.154 3.381 1.00 0.00 C ATOM 1481 CG TYR A 97 -12.075 -1.182 3.408 1.00 0.00 C ATOM 1482 CD1 TYR A 97 -12.802 -0.830 2.264 1.00 0.00 C ATOM 1483 CD2 TYR A 97 -12.748 -1.562 4.575 1.00 0.00 C ATOM 1484 CE1 TYR A 97 -14.200 -0.858 2.287 1.00 0.00 C ATOM 1485 CE2 TYR A 97 -14.148 -1.591 4.597 1.00 0.00 C ATOM 1486 CZ TYR A 97 -14.873 -1.238 3.454 1.00 0.00 C ATOM 1487 OH TYR A 97 -16.254 -1.266 3.477 1.00 0.00 O ATOM 0 H TYR A 97 -9.456 0.568 1.647 1.00 0.00 H new ATOM 0 HA TYR A 97 -10.771 0.755 4.342 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -10.204 -1.491 2.410 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -10.167 -1.841 4.127 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -12.283 -0.537 1.364 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -12.188 -1.833 5.458 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -14.760 -0.586 1.405 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -14.668 -1.886 5.497 1.00 0.00 H new ATOM 0 HH TYR A 97 -16.561 -1.552 4.363 1.00 0.00 H new ATOM 1497 N LYS A 98 -8.474 0.847 5.392 1.00 0.00 N ATOM 1498 CA LYS A 98 -7.120 0.828 6.012 1.00 0.00 C ATOM 1499 C LYS A 98 -6.994 -0.369 6.955 1.00 0.00 C ATOM 1500 O LYS A 98 -7.848 -0.616 7.784 1.00 0.00 O ATOM 1501 CB LYS A 98 -6.900 2.123 6.798 1.00 0.00 C ATOM 1502 CG LYS A 98 -8.064 2.338 7.764 1.00 0.00 C ATOM 1503 CD LYS A 98 -7.549 2.297 9.204 1.00 0.00 C ATOM 1504 CE LYS A 98 -8.057 3.523 9.964 1.00 0.00 C ATOM 1505 NZ LYS A 98 -7.025 4.597 9.921 1.00 0.00 N ATOM 0 H LYS A 98 -9.181 1.378 5.900 1.00 0.00 H new ATOM 0 HA LYS A 98 -6.369 0.745 5.227 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -5.961 2.071 7.349 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -6.821 2.967 6.113 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -8.543 3.297 7.565 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -8.820 1.567 7.615 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -7.887 1.385 9.696 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -6.459 2.278 9.211 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -8.987 3.879 9.521 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -8.278 3.257 10.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -7.370 5.431 10.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -6.148 4.254 10.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -6.835 4.857 8.932 1.00 0.00 H new ATOM 1519 N THR A 99 -5.927 -1.111 6.833 1.00 0.00 N ATOM 1520 CA THR A 99 -5.723 -2.290 7.718 1.00 0.00 C ATOM 1521 C THR A 99 -4.489 -2.050 8.591 1.00 0.00 C ATOM 1522 O THR A 99 -3.405 -1.801 8.094 1.00 0.00 O ATOM 1523 CB THR A 99 -5.507 -3.545 6.870 1.00 0.00 C ATOM 1524 OG1 THR A 99 -4.990 -4.583 7.690 1.00 0.00 O ATOM 1525 CG2 THR A 99 -4.518 -3.241 5.744 1.00 0.00 C ATOM 0 H THR A 99 -5.184 -0.949 6.153 1.00 0.00 H new ATOM 0 HA THR A 99 -6.603 -2.430 8.346 1.00 0.00 H new ATOM 0 HB THR A 99 -6.457 -3.860 6.438 1.00 0.00 H new ATOM 0 HG1 THR A 99 -5.427 -4.555 8.567 1.00 0.00 H new ATOM 0 HG21 THR A 99 -4.366 -4.137 5.142 1.00 0.00 H new ATOM 0 HG22 THR A 99 -4.916 -2.444 5.116 1.00 0.00 H new ATOM 0 HG23 THR A 99 -3.566 -2.925 6.171 1.00 0.00 H new ATOM 1533 N THR A 100 -4.644 -2.122 9.884 1.00 0.00 N ATOM 1534 CA THR A 100 -3.482 -1.895 10.789 1.00 0.00 C ATOM 1535 C THR A 100 -3.071 -3.221 11.430 1.00 0.00 C ATOM 1536 O THR A 100 -2.575 -3.259 12.539 1.00 0.00 O ATOM 1537 CB THR A 100 -3.873 -0.898 11.881 1.00 0.00 C ATOM 1538 OG1 THR A 100 -5.188 -1.188 12.336 1.00 0.00 O ATOM 1539 CG2 THR A 100 -3.828 0.523 11.317 1.00 0.00 C ATOM 0 H THR A 100 -5.526 -2.328 10.354 1.00 0.00 H new ATOM 0 HA THR A 100 -2.646 -1.494 10.216 1.00 0.00 H new ATOM 0 HB THR A 100 -3.174 -0.978 12.714 1.00 0.00 H new ATOM 0 HG1 THR A 100 -5.439 -0.551 13.037 1.00 0.00 H new ATOM 0 HG21 THR A 100 -4.107 1.233 12.096 1.00 0.00 H new ATOM 0 HG22 THR A 100 -2.819 0.744 10.969 1.00 0.00 H new ATOM 0 HG23 THR A 100 -4.526 0.606 10.484 1.00 0.00 H new ATOM 1547 N ASP A 101 -3.272 -4.309 10.741 1.00 0.00 N ATOM 1548 CA ASP A 101 -2.892 -5.632 11.310 1.00 0.00 C ATOM 1549 C ASP A 101 -2.512 -6.584 10.173 1.00 0.00 C ATOM 1550 O ASP A 101 -2.503 -7.788 10.339 1.00 0.00 O ATOM 1551 CB ASP A 101 -4.070 -6.214 12.096 1.00 0.00 C ATOM 1552 CG ASP A 101 -5.344 -6.131 11.254 1.00 0.00 C ATOM 1553 OD1 ASP A 101 -5.287 -5.547 10.185 1.00 0.00 O ATOM 1554 OD2 ASP A 101 -6.356 -6.652 11.693 1.00 0.00 O ATOM 0 H ASP A 101 -3.683 -4.340 9.808 1.00 0.00 H new ATOM 0 HA ASP A 101 -2.041 -5.507 11.980 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -3.865 -7.251 12.362 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -4.203 -5.666 13.029 1.00 0.00 H new ATOM 1559 N HIS A 102 -2.201 -6.053 9.021 1.00 0.00 N ATOM 1560 CA HIS A 102 -1.818 -6.920 7.869 1.00 0.00 C ATOM 1561 C HIS A 102 -3.078 -7.501 7.226 1.00 0.00 C ATOM 1562 O HIS A 102 -3.334 -8.688 7.295 1.00 0.00 O ATOM 1563 CB HIS A 102 -0.919 -8.059 8.356 1.00 0.00 C ATOM 1564 CG HIS A 102 0.189 -8.286 7.365 1.00 0.00 C ATOM 1565 ND1 HIS A 102 -0.050 -8.764 6.086 1.00 0.00 N ATOM 1566 CD2 HIS A 102 1.547 -8.104 7.449 1.00 0.00 C ATOM 1567 CE1 HIS A 102 1.137 -8.853 5.459 1.00 0.00 C ATOM 1568 NE2 HIS A 102 2.144 -8.464 6.245 1.00 0.00 N ATOM 0 H HIS A 102 -2.196 -5.052 8.827 1.00 0.00 H new ATOM 0 HA HIS A 102 -1.277 -6.324 7.134 1.00 0.00 H new ATOM 0 HB2 HIS A 102 -0.502 -7.814 9.333 1.00 0.00 H new ATOM 0 HB3 HIS A 102 -1.504 -8.971 8.478 1.00 0.00 H new ATOM 0 HD1 HIS A 102 -0.960 -9.004 5.692 1.00 0.00 H new ATOM 0 HD2 HIS A 102 2.072 -7.737 8.318 1.00 0.00 H new ATOM 0 HE1 HIS A 102 1.260 -9.197 4.443 1.00 0.00 H new ATOM 1576 N TYR A 103 -3.868 -6.674 6.599 1.00 0.00 N ATOM 1577 CA TYR A 103 -5.112 -7.175 5.950 1.00 0.00 C ATOM 1578 C TYR A 103 -5.893 -8.044 6.937 1.00 0.00 C ATOM 1579 O TYR A 103 -6.696 -8.870 6.551 1.00 0.00 O ATOM 1580 CB TYR A 103 -4.742 -8.004 4.718 1.00 0.00 C ATOM 1581 CG TYR A 103 -3.605 -7.336 3.983 1.00 0.00 C ATOM 1582 CD1 TYR A 103 -3.761 -6.037 3.483 1.00 0.00 C ATOM 1583 CD2 TYR A 103 -2.395 -8.015 3.800 1.00 0.00 C ATOM 1584 CE1 TYR A 103 -2.707 -5.418 2.801 1.00 0.00 C ATOM 1585 CE2 TYR A 103 -1.341 -7.397 3.117 1.00 0.00 C ATOM 1586 CZ TYR A 103 -1.497 -6.099 2.618 1.00 0.00 C ATOM 1587 OH TYR A 103 -0.460 -5.490 1.944 1.00 0.00 O ATOM 0 H TYR A 103 -3.705 -5.671 6.508 1.00 0.00 H new ATOM 0 HA TYR A 103 -5.731 -6.330 5.649 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -4.453 -9.011 5.018 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -5.606 -8.103 4.060 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -4.695 -5.513 3.624 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -2.274 -9.016 4.186 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -2.827 -4.416 2.416 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -0.408 -7.922 2.975 1.00 0.00 H new ATOM 0 HH TYR A 103 -0.639 -5.511 0.981 1.00 0.00 H new ATOM 1597 N GLN A 104 -5.669 -7.863 8.211 1.00 0.00 N ATOM 1598 CA GLN A 104 -6.403 -8.678 9.221 1.00 0.00 C ATOM 1599 C GLN A 104 -7.634 -7.909 9.691 1.00 0.00 C ATOM 1600 O GLN A 104 -8.559 -8.466 10.249 1.00 0.00 O ATOM 1601 CB GLN A 104 -5.489 -8.957 10.415 1.00 0.00 C ATOM 1602 CG GLN A 104 -4.935 -10.380 10.316 1.00 0.00 C ATOM 1603 CD GLN A 104 -5.275 -11.149 11.594 1.00 0.00 C ATOM 1604 OE1 GLN A 104 -4.399 -11.680 12.247 1.00 0.00 O ATOM 1605 NE2 GLN A 104 -6.518 -11.232 11.981 1.00 0.00 N ATOM 0 H GLN A 104 -5.010 -7.186 8.596 1.00 0.00 H new ATOM 0 HA GLN A 104 -6.711 -9.623 8.773 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -4.670 -8.238 10.435 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -6.043 -8.835 11.346 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -5.359 -10.887 9.450 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -3.855 -10.352 10.172 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -7.254 -10.786 11.433 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -6.754 -11.743 12.832 1.00 0.00 H new ATOM 1614 N THR A 105 -7.648 -6.630 9.463 1.00 0.00 N ATOM 1615 CA THR A 105 -8.812 -5.799 9.884 1.00 0.00 C ATOM 1616 C THR A 105 -8.952 -4.618 8.924 1.00 0.00 C ATOM 1617 O THR A 105 -8.151 -3.706 8.927 1.00 0.00 O ATOM 1618 CB THR A 105 -8.584 -5.281 11.307 1.00 0.00 C ATOM 1619 OG1 THR A 105 -8.651 -6.368 12.220 1.00 0.00 O ATOM 1620 CG2 THR A 105 -9.661 -4.253 11.657 1.00 0.00 C ATOM 0 H THR A 105 -6.898 -6.117 8.999 1.00 0.00 H new ATOM 0 HA THR A 105 -9.721 -6.400 9.864 1.00 0.00 H new ATOM 0 HB THR A 105 -7.603 -4.811 11.370 1.00 0.00 H new ATOM 0 HG1 THR A 105 -7.777 -6.491 12.646 1.00 0.00 H new ATOM 0 HG21 THR A 105 -9.497 -3.885 12.670 1.00 0.00 H new ATOM 0 HG22 THR A 105 -9.610 -3.420 10.956 1.00 0.00 H new ATOM 0 HG23 THR A 105 -10.644 -4.720 11.595 1.00 0.00 H new ATOM 1628 N PHE A 106 -9.957 -4.630 8.093 1.00 0.00 N ATOM 1629 CA PHE A 106 -10.135 -3.509 7.125 1.00 0.00 C ATOM 1630 C PHE A 106 -11.105 -2.472 7.692 1.00 0.00 C ATOM 1631 O PHE A 106 -12.201 -2.793 8.108 1.00 0.00 O ATOM 1632 CB PHE A 106 -10.695 -4.056 5.813 1.00 0.00 C ATOM 1633 CG PHE A 106 -9.646 -4.890 5.122 1.00 0.00 C ATOM 1634 CD1 PHE A 106 -8.643 -4.267 4.368 1.00 0.00 C ATOM 1635 CD2 PHE A 106 -9.677 -6.285 5.230 1.00 0.00 C ATOM 1636 CE1 PHE A 106 -7.672 -5.042 3.722 1.00 0.00 C ATOM 1637 CE2 PHE A 106 -8.706 -7.059 4.585 1.00 0.00 C ATOM 1638 CZ PHE A 106 -7.703 -6.437 3.830 1.00 0.00 C ATOM 0 H PHE A 106 -10.662 -5.365 8.041 1.00 0.00 H new ATOM 0 HA PHE A 106 -9.169 -3.036 6.949 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -11.582 -4.658 6.008 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -11.004 -3.234 5.167 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -8.619 -3.190 4.285 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -10.451 -6.764 5.811 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -6.899 -4.563 3.140 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -8.730 -8.135 4.669 1.00 0.00 H new ATOM 0 HZ PHE A 106 -6.954 -7.034 3.331 1.00 0.00 H new ATOM 1648 N THR A 107 -10.715 -1.227 7.695 1.00 0.00 N ATOM 1649 CA THR A 107 -11.616 -0.164 8.215 1.00 0.00 C ATOM 1650 C THR A 107 -12.009 0.759 7.060 1.00 0.00 C ATOM 1651 O THR A 107 -11.172 1.249 6.333 1.00 0.00 O ATOM 1652 CB THR A 107 -10.893 0.640 9.299 1.00 0.00 C ATOM 1653 OG1 THR A 107 -10.808 -0.138 10.485 1.00 0.00 O ATOM 1654 CG2 THR A 107 -11.665 1.929 9.587 1.00 0.00 C ATOM 0 H THR A 107 -9.809 -0.901 7.359 1.00 0.00 H new ATOM 0 HA THR A 107 -12.510 -0.614 8.647 1.00 0.00 H new ATOM 0 HB THR A 107 -9.890 0.892 8.955 1.00 0.00 H new ATOM 0 HG1 THR A 107 -10.344 0.374 11.180 1.00 0.00 H new ATOM 0 HG21 THR A 107 -11.147 2.498 10.359 1.00 0.00 H new ATOM 0 HG22 THR A 107 -11.729 2.526 8.677 1.00 0.00 H new ATOM 0 HG23 THR A 107 -12.670 1.682 9.930 1.00 0.00 H new ATOM 1662 N LYS A 108 -13.277 0.991 6.876 1.00 0.00 N ATOM 1663 CA LYS A 108 -13.719 1.871 5.758 1.00 0.00 C ATOM 1664 C LYS A 108 -13.532 3.337 6.147 1.00 0.00 C ATOM 1665 O LYS A 108 -14.087 3.808 7.121 1.00 0.00 O ATOM 1666 CB LYS A 108 -15.196 1.609 5.458 1.00 0.00 C ATOM 1667 CG LYS A 108 -15.700 2.630 4.437 1.00 0.00 C ATOM 1668 CD LYS A 108 -16.586 3.662 5.138 1.00 0.00 C ATOM 1669 CE LYS A 108 -17.797 3.977 4.261 1.00 0.00 C ATOM 1670 NZ LYS A 108 -17.445 5.057 3.295 1.00 0.00 N ATOM 0 H LYS A 108 -14.028 0.610 7.451 1.00 0.00 H new ATOM 0 HA LYS A 108 -13.121 1.655 4.873 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -15.325 0.598 5.071 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -15.782 1.677 6.375 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -14.857 3.126 3.957 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -16.263 2.126 3.651 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -16.914 3.279 6.104 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -16.018 4.572 5.332 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -18.113 3.083 3.724 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -18.637 4.289 4.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -18.269 5.271 2.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -17.164 5.912 3.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -16.656 4.743 2.695 1.00 0.00 H new ATOM 1684 N ILE A 109 -12.755 4.065 5.392 1.00 0.00 N ATOM 1685 CA ILE A 109 -12.533 5.502 5.717 1.00 0.00 C ATOM 1686 C ILE A 109 -13.062 6.370 4.574 1.00 0.00 C ATOM 1687 O ILE A 109 -13.642 7.416 4.793 1.00 0.00 O ATOM 1688 CB ILE A 109 -11.037 5.759 5.903 1.00 0.00 C ATOM 1689 CG1 ILE A 109 -10.243 4.861 4.952 1.00 0.00 C ATOM 1690 CG2 ILE A 109 -10.641 5.446 7.347 1.00 0.00 C ATOM 1691 CD1 ILE A 109 -8.762 5.237 5.010 1.00 0.00 C ATOM 0 H ILE A 109 -12.265 3.726 4.564 1.00 0.00 H new ATOM 0 HA ILE A 109 -13.060 5.752 6.638 1.00 0.00 H new ATOM 0 HB ILE A 109 -10.819 6.804 5.684 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -10.374 3.815 5.229 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -10.617 4.971 3.934 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -9.575 5.629 7.480 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -11.206 6.085 8.026 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -10.860 4.401 7.566 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -8.197 4.597 4.332 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -8.639 6.278 4.712 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -8.392 5.104 6.027 1.00 0.00 H new ATOM 1703 N ARG A 110 -12.870 5.947 3.355 1.00 0.00 N ATOM 1704 CA ARG A 110 -13.364 6.749 2.200 1.00 0.00 C ATOM 1705 C ARG A 110 -13.773 5.810 1.064 1.00 0.00 C ATOM 1706 O ARG A 110 -14.097 4.670 1.352 1.00 0.00 O ATOM 1707 CB ARG A 110 -12.253 7.682 1.714 1.00 0.00 C ATOM 1708 CG ARG A 110 -11.579 8.345 2.916 1.00 0.00 C ATOM 1709 CD ARG A 110 -10.835 9.600 2.455 1.00 0.00 C ATOM 1710 NE ARG A 110 -9.707 9.886 3.388 1.00 0.00 N ATOM 1711 CZ ARG A 110 -9.843 9.667 4.669 1.00 0.00 C ATOM 1712 NH1 ARG A 110 -10.953 9.993 5.272 1.00 0.00 N ATOM 1713 NH2 ARG A 110 -8.870 9.120 5.345 1.00 0.00 N ATOM 1714 OXT ARG A 110 -13.757 6.247 -0.075 1.00 0.00 O ATOM 0 H ARG A 110 -12.392 5.080 3.109 1.00 0.00 H new ATOM 0 HA ARG A 110 -14.225 7.340 2.511 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -11.519 7.120 1.137 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -12.666 8.442 1.051 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -12.325 8.607 3.666 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -10.884 7.649 3.386 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -10.456 9.459 1.443 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -11.518 10.449 2.424 1.00 0.00 H new ATOM 0 HE ARG A 110 -8.827 10.253 3.025 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -11.714 10.419 4.743 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -11.059 9.822 6.272 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -8.003 8.863 4.873 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -8.977 8.949 6.345 1.00 0.00 H new