USER MOD reduce.3.24.130724 H: found=0, std=0, add=669, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 670 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 Set 1.1: A 25 GLN : amide:sc= -1.72 K(o=-4.1,f=-6.4!) USER MOD Set 1.2: A 37 MET CE :methyl -136:sc= -2.38! (180deg=-4.06!) USER MOD Set 2.1: A 23 ASN : amide:sc= -2.67 K(o=-5,f=-2.7) USER MOD Set 2.2: A 24 GLN : amide:sc= -2.3 K(o=-5,f=-9.5!) USER MOD Single : A 7 ASN : amide:sc= -0.058 X(o=-0.058,f=-0.52) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -164:sc= -0.201 (180deg=-0.607) USER MOD Single : A 19 SER OG : rot 130:sc= -0.922 USER MOD Single : A 28 ASN : amide:sc= -0.151 X(o=-0.15,f=-0.0096) USER MOD Single : A 33 SER OG : rot 180:sc= -0.0832 USER MOD Single : A 39 THR OG1 : rot 115:sc= 1.18 USER MOD Single : A 45 MET CE :methyl 159:sc= -1.26 (180deg=-2.62!) USER MOD Single : A 46 ASN : amide:sc= 0.317 X(o=0.32,f=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -0.241 K(o=-0.24,f=0.41) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 137:sc= -1.04! USER MOD Single : A 54 GLN : amide:sc= 0.244 X(o=0.24,f=-0.017) USER MOD Single : A 55 GLN : amide:sc= 0.099 X(o=0.099,f=-0.16) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 LYS NZ :NH3+ 152:sc= 1.05 (180deg=0.57) USER MOD Single : A 68 GLN : amide:sc= -0.0255 X(o=-0.026,f=-0.026) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 ASN : amide:sc= -2.1 X(o=-2.1,f=-1.9!) USER MOD Single : A 76 THR OG1 : rot -75:sc= 1 USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 LYS NZ :NH3+ -155:sc= 1.15 (180deg=0.723) USER MOD Single : A 85 TYR OH : rot -96:sc= -0.73 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot -35:sc= 0.794 USER MOD ----------------------------------------------------------------- ATOM 63 N ALA A 6 -5.591 20.312 -6.297 1.00 0.00 N ATOM 64 CA ALA A 6 -4.439 20.141 -5.420 1.00 0.00 C ATOM 65 C ALA A 6 -4.589 18.888 -4.562 1.00 0.00 C ATOM 66 O ALA A 6 -3.652 18.096 -4.430 1.00 0.00 O ATOM 67 CB ALA A 6 -4.251 21.370 -4.544 1.00 0.00 C ATOM 0 HA ALA A 6 -3.552 20.020 -6.042 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -3.387 21.226 -3.895 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -4.090 22.245 -5.174 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -5.141 21.522 -3.934 1.00 0.00 H new ATOM 73 N ASN A 7 -5.774 18.705 -3.992 1.00 0.00 N ATOM 74 CA ASN A 7 -6.044 17.540 -3.160 1.00 0.00 C ATOM 75 C ASN A 7 -5.954 16.265 -3.993 1.00 0.00 C ATOM 76 O ASN A 7 -5.217 15.336 -3.653 1.00 0.00 O ATOM 77 CB ASN A 7 -7.427 17.651 -2.517 1.00 0.00 C ATOM 78 CG ASN A 7 -7.380 18.325 -1.160 1.00 0.00 C ATOM 79 OD1 ASN A 7 -6.858 17.768 -0.195 1.00 0.00 O ATOM 80 ND2 ASN A 7 -7.928 19.532 -1.080 1.00 0.00 N ATOM 0 H ASN A 7 -6.561 19.347 -4.091 1.00 0.00 H new ATOM 0 HA ASN A 7 -5.295 17.499 -2.369 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -8.087 18.214 -3.177 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -7.856 16.655 -2.410 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -7.927 20.035 -0.193 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -8.350 19.956 -1.906 1.00 0.00 H new ATOM 87 N LYS A 8 -6.702 16.232 -5.093 1.00 0.00 N ATOM 88 CA LYS A 8 -6.705 15.079 -5.983 1.00 0.00 C ATOM 89 C LYS A 8 -5.301 14.794 -6.505 1.00 0.00 C ATOM 90 O LYS A 8 -4.965 13.653 -6.816 1.00 0.00 O ATOM 91 CB LYS A 8 -7.660 15.317 -7.155 1.00 0.00 C ATOM 92 CG LYS A 8 -9.126 15.142 -6.789 1.00 0.00 C ATOM 93 CD LYS A 8 -9.924 16.410 -7.054 1.00 0.00 C ATOM 94 CE LYS A 8 -10.088 17.239 -5.790 1.00 0.00 C ATOM 95 NZ LYS A 8 -11.412 17.017 -5.144 1.00 0.00 N ATOM 0 H LYS A 8 -7.314 16.993 -5.388 1.00 0.00 H new ATOM 0 HA LYS A 8 -7.046 14.212 -5.416 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -7.507 16.326 -7.538 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -7.411 14.628 -7.962 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -9.549 14.318 -7.364 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -9.209 14.872 -5.736 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -9.422 17.004 -7.818 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -10.906 16.148 -7.448 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -9.295 16.987 -5.086 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -9.976 18.296 -6.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -11.482 17.601 -4.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -12.170 17.281 -5.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -11.510 16.014 -4.889 1.00 0.00 H new ATOM 109 N ASP A 9 -4.481 15.836 -6.601 1.00 0.00 N ATOM 110 CA ASP A 9 -3.118 15.678 -7.084 1.00 0.00 C ATOM 111 C ASP A 9 -2.271 14.954 -6.048 1.00 0.00 C ATOM 112 O ASP A 9 -1.498 14.057 -6.384 1.00 0.00 O ATOM 113 CB ASP A 9 -2.504 17.040 -7.415 1.00 0.00 C ATOM 114 CG ASP A 9 -2.667 17.407 -8.877 1.00 0.00 C ATOM 115 OD1 ASP A 9 -2.068 16.721 -9.733 1.00 0.00 O ATOM 116 OD2 ASP A 9 -3.393 18.381 -9.168 1.00 0.00 O ATOM 0 H ASP A 9 -4.736 16.792 -6.352 1.00 0.00 H new ATOM 0 HA ASP A 9 -3.142 15.080 -7.995 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -2.971 17.806 -6.796 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -1.444 17.029 -7.162 1.00 0.00 H new ATOM 121 N LEU A 10 -2.430 15.336 -4.784 1.00 0.00 N ATOM 122 CA LEU A 10 -1.682 14.703 -3.708 1.00 0.00 C ATOM 123 C LEU A 10 -2.013 13.218 -3.646 1.00 0.00 C ATOM 124 O LEU A 10 -1.115 12.372 -3.576 1.00 0.00 O ATOM 125 CB LEU A 10 -2.003 15.369 -2.370 1.00 0.00 C ATOM 126 CG LEU A 10 -1.164 14.884 -1.187 1.00 0.00 C ATOM 127 CD1 LEU A 10 0.176 15.602 -1.151 1.00 0.00 C ATOM 128 CD2 LEU A 10 -1.916 15.090 0.119 1.00 0.00 C ATOM 0 H LEU A 10 -3.065 16.075 -4.483 1.00 0.00 H new ATOM 0 HA LEU A 10 -0.617 14.821 -3.908 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -1.867 16.445 -2.475 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -3.056 15.202 -2.142 1.00 0.00 H new ATOM 0 HG LEU A 10 -0.977 13.817 -1.312 1.00 0.00 H new ATOM 0 HD11 LEU A 10 0.758 15.243 -0.302 1.00 0.00 H new ATOM 0 HD12 LEU A 10 0.720 15.403 -2.074 1.00 0.00 H new ATOM 0 HD13 LEU A 10 0.011 16.675 -1.050 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -1.304 14.739 0.950 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.134 16.150 0.250 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -2.850 14.528 0.094 1.00 0.00 H new ATOM 140 N ILE A 11 -3.303 12.896 -3.696 1.00 0.00 N ATOM 141 CA ILE A 11 -3.718 11.504 -3.664 1.00 0.00 C ATOM 142 C ILE A 11 -3.152 10.772 -4.879 1.00 0.00 C ATOM 143 O ILE A 11 -2.487 9.746 -4.735 1.00 0.00 O ATOM 144 CB ILE A 11 -5.263 11.353 -3.578 1.00 0.00 C ATOM 145 CG1 ILE A 11 -5.622 10.113 -2.758 1.00 0.00 C ATOM 146 CG2 ILE A 11 -5.920 11.285 -4.952 1.00 0.00 C ATOM 147 CD1 ILE A 11 -7.007 10.171 -2.150 1.00 0.00 C ATOM 0 H ILE A 11 -4.065 13.571 -3.758 1.00 0.00 H new ATOM 0 HA ILE A 11 -3.317 11.050 -2.758 1.00 0.00 H new ATOM 0 HB ILE A 11 -5.649 12.245 -3.084 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -5.551 9.232 -3.396 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -4.889 9.990 -1.961 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -6.999 11.180 -4.835 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -5.703 12.199 -5.505 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -5.529 10.428 -5.500 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -7.194 9.259 -1.583 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -7.077 11.032 -1.486 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -7.749 10.263 -2.943 1.00 0.00 H new ATOM 159 N SER A 12 -3.407 11.303 -6.078 1.00 0.00 N ATOM 160 CA SER A 12 -2.908 10.691 -7.302 1.00 0.00 C ATOM 161 C SER A 12 -1.396 10.509 -7.240 1.00 0.00 C ATOM 162 O SER A 12 -0.857 9.562 -7.801 1.00 0.00 O ATOM 163 CB SER A 12 -3.283 11.545 -8.515 1.00 0.00 C ATOM 164 OG SER A 12 -3.208 10.790 -9.713 1.00 0.00 O ATOM 0 H SER A 12 -3.954 12.152 -6.222 1.00 0.00 H new ATOM 0 HA SER A 12 -3.370 9.709 -7.403 1.00 0.00 H new ATOM 0 HB2 SER A 12 -4.293 11.936 -8.390 1.00 0.00 H new ATOM 0 HB3 SER A 12 -2.615 12.404 -8.580 1.00 0.00 H new ATOM 0 HG SER A 12 -3.454 11.358 -10.473 1.00 0.00 H new ATOM 170 N ALA A 13 -0.719 11.427 -6.562 1.00 0.00 N ATOM 171 CA ALA A 13 0.731 11.351 -6.441 1.00 0.00 C ATOM 172 C ALA A 13 1.138 10.143 -5.612 1.00 0.00 C ATOM 173 O ALA A 13 2.061 9.413 -5.976 1.00 0.00 O ATOM 174 CB ALA A 13 1.294 12.634 -5.848 1.00 0.00 C ATOM 0 H ALA A 13 -1.145 12.225 -6.092 1.00 0.00 H new ATOM 0 HA ALA A 13 1.150 11.233 -7.440 1.00 0.00 H new ATOM 0 HB1 ALA A 13 2.378 12.553 -5.768 1.00 0.00 H new ATOM 0 HB2 ALA A 13 1.040 13.475 -6.493 1.00 0.00 H new ATOM 0 HB3 ALA A 13 0.868 12.795 -4.858 1.00 0.00 H new ATOM 180 N GLY A 14 0.412 9.900 -4.531 1.00 0.00 N ATOM 181 CA GLY A 14 0.694 8.732 -3.719 1.00 0.00 C ATOM 182 C GLY A 14 0.318 7.485 -4.489 1.00 0.00 C ATOM 183 O GLY A 14 1.039 6.489 -4.502 1.00 0.00 O ATOM 0 H GLY A 14 -0.359 10.482 -4.203 1.00 0.00 H new ATOM 0 HA2 GLY A 14 1.751 8.705 -3.455 1.00 0.00 H new ATOM 0 HA3 GLY A 14 0.133 8.780 -2.786 1.00 0.00 H new ATOM 187 N LEU A 15 -0.828 7.585 -5.148 1.00 0.00 N ATOM 188 CA LEU A 15 -1.349 6.504 -5.967 1.00 0.00 C ATOM 189 C LEU A 15 -0.310 6.091 -7.002 1.00 0.00 C ATOM 190 O LEU A 15 0.143 4.947 -7.021 1.00 0.00 O ATOM 191 CB LEU A 15 -2.651 6.924 -6.653 1.00 0.00 C ATOM 192 CG LEU A 15 -3.926 6.371 -6.015 1.00 0.00 C ATOM 193 CD1 LEU A 15 -5.081 7.343 -6.200 1.00 0.00 C ATOM 194 CD2 LEU A 15 -4.268 5.012 -6.606 1.00 0.00 C ATOM 0 H LEU A 15 -1.420 8.416 -5.129 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.566 5.651 -5.324 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.707 8.013 -6.657 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.615 6.603 -7.694 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.752 6.247 -4.946 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -5.980 6.932 -5.740 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -4.835 8.295 -5.729 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -5.258 7.500 -7.264 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -5.178 4.632 -6.142 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -4.423 5.111 -7.680 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.448 4.318 -6.420 1.00 0.00 H new ATOM 206 N LYS A 16 0.066 7.033 -7.860 1.00 0.00 N ATOM 207 CA LYS A 16 1.056 6.769 -8.894 1.00 0.00 C ATOM 208 C LYS A 16 2.369 6.316 -8.270 1.00 0.00 C ATOM 209 O LYS A 16 3.122 5.548 -8.867 1.00 0.00 O ATOM 210 CB LYS A 16 1.281 8.020 -9.747 1.00 0.00 C ATOM 211 CG LYS A 16 2.069 7.759 -11.020 1.00 0.00 C ATOM 212 CD LYS A 16 1.368 6.747 -11.913 1.00 0.00 C ATOM 213 CE LYS A 16 2.125 6.534 -13.215 1.00 0.00 C ATOM 214 NZ LYS A 16 2.568 7.821 -13.819 1.00 0.00 N ATOM 0 H LYS A 16 -0.300 7.985 -7.859 1.00 0.00 H new ATOM 0 HA LYS A 16 0.681 5.971 -9.535 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.314 8.448 -10.010 1.00 0.00 H new ATOM 0 HB3 LYS A 16 1.808 8.765 -9.151 1.00 0.00 H new ATOM 0 HG2 LYS A 16 2.203 8.694 -11.564 1.00 0.00 H new ATOM 0 HG3 LYS A 16 3.063 7.393 -10.765 1.00 0.00 H new ATOM 0 HD2 LYS A 16 1.275 5.798 -11.386 1.00 0.00 H new ATOM 0 HD3 LYS A 16 0.357 7.091 -12.131 1.00 0.00 H new ATOM 0 HE2 LYS A 16 2.994 5.902 -13.030 1.00 0.00 H new ATOM 0 HE3 LYS A 16 1.488 6.002 -13.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 2.832 7.665 -14.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 1.793 8.512 -13.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 3.390 8.185 -13.296 1.00 0.00 H new ATOM 228 N GLU A 17 2.633 6.797 -7.059 1.00 0.00 N ATOM 229 CA GLU A 17 3.853 6.441 -6.345 1.00 0.00 C ATOM 230 C GLU A 17 3.837 4.973 -5.936 1.00 0.00 C ATOM 231 O GLU A 17 4.809 4.248 -6.153 1.00 0.00 O ATOM 232 CB GLU A 17 4.024 7.328 -5.110 1.00 0.00 C ATOM 233 CG GLU A 17 5.022 8.457 -5.304 1.00 0.00 C ATOM 234 CD GLU A 17 4.729 9.293 -6.535 1.00 0.00 C ATOM 235 OE1 GLU A 17 4.759 8.736 -7.652 1.00 0.00 O ATOM 236 OE2 GLU A 17 4.468 10.505 -6.382 1.00 0.00 O ATOM 0 H GLU A 17 2.018 7.434 -6.552 1.00 0.00 H new ATOM 0 HA GLU A 17 4.697 6.601 -7.017 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.057 7.752 -4.841 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.346 6.710 -4.271 1.00 0.00 H new ATOM 0 HG2 GLU A 17 5.013 9.099 -4.423 1.00 0.00 H new ATOM 0 HG3 GLU A 17 6.026 8.039 -5.384 1.00 0.00 H new ATOM 243 N PHE A 18 2.729 4.536 -5.348 1.00 0.00 N ATOM 244 CA PHE A 18 2.595 3.151 -4.916 1.00 0.00 C ATOM 245 C PHE A 18 2.405 2.227 -6.113 1.00 0.00 C ATOM 246 O PHE A 18 2.861 1.084 -6.108 1.00 0.00 O ATOM 247 CB PHE A 18 1.427 2.999 -3.938 1.00 0.00 C ATOM 248 CG PHE A 18 1.495 1.748 -3.103 1.00 0.00 C ATOM 249 CD1 PHE A 18 2.709 1.272 -2.628 1.00 0.00 C ATOM 250 CD2 PHE A 18 0.340 1.047 -2.793 1.00 0.00 C ATOM 251 CE1 PHE A 18 2.768 0.123 -1.861 1.00 0.00 C ATOM 252 CE2 PHE A 18 0.393 -0.103 -2.027 1.00 0.00 C ATOM 253 CZ PHE A 18 1.609 -0.565 -1.560 1.00 0.00 C ATOM 0 H PHE A 18 1.913 5.119 -5.160 1.00 0.00 H new ATOM 0 HA PHE A 18 3.515 2.868 -4.404 1.00 0.00 H new ATOM 0 HB2 PHE A 18 1.403 3.865 -3.277 1.00 0.00 H new ATOM 0 HB3 PHE A 18 0.492 3.000 -4.499 1.00 0.00 H new ATOM 0 HD1 PHE A 18 3.619 1.806 -2.860 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -0.613 1.404 -3.154 1.00 0.00 H new ATOM 0 HE1 PHE A 18 3.720 -0.236 -1.498 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -0.515 -0.640 -1.794 1.00 0.00 H new ATOM 0 HZ PHE A 18 1.653 -1.462 -0.961 1.00 0.00 H new ATOM 263 N SER A 19 1.730 2.732 -7.140 1.00 0.00 N ATOM 264 CA SER A 19 1.482 1.954 -8.347 1.00 0.00 C ATOM 265 C SER A 19 2.787 1.663 -9.079 1.00 0.00 C ATOM 266 O SER A 19 3.073 0.518 -9.428 1.00 0.00 O ATOM 267 CB SER A 19 0.518 2.701 -9.273 1.00 0.00 C ATOM 268 OG SER A 19 1.180 3.748 -9.960 1.00 0.00 O ATOM 0 H SER A 19 1.345 3.676 -7.160 1.00 0.00 H new ATOM 0 HA SER A 19 1.030 1.007 -8.054 1.00 0.00 H new ATOM 0 HB2 SER A 19 0.087 2.005 -9.993 1.00 0.00 H new ATOM 0 HB3 SER A 19 -0.308 3.109 -8.691 1.00 0.00 H new ATOM 0 HG SER A 19 0.986 3.684 -10.918 1.00 0.00 H new ATOM 274 N VAL A 20 3.578 2.708 -9.304 1.00 0.00 N ATOM 275 CA VAL A 20 4.855 2.563 -9.991 1.00 0.00 C ATOM 276 C VAL A 20 5.851 1.797 -9.128 1.00 0.00 C ATOM 277 O VAL A 20 6.665 1.028 -9.639 1.00 0.00 O ATOM 278 CB VAL A 20 5.455 3.934 -10.360 1.00 0.00 C ATOM 279 CG1 VAL A 20 6.734 3.760 -11.166 1.00 0.00 C ATOM 280 CG2 VAL A 20 4.442 4.768 -11.129 1.00 0.00 C ATOM 0 H VAL A 20 3.357 3.663 -9.021 1.00 0.00 H new ATOM 0 HA VAL A 20 4.664 2.005 -10.907 1.00 0.00 H new ATOM 0 HB VAL A 20 5.704 4.461 -9.439 1.00 0.00 H new ATOM 0 HG11 VAL A 20 7.142 4.739 -11.417 1.00 0.00 H new ATOM 0 HG12 VAL A 20 7.463 3.203 -10.577 1.00 0.00 H new ATOM 0 HG13 VAL A 20 6.515 3.213 -12.083 1.00 0.00 H new ATOM 0 HG21 VAL A 20 4.882 5.733 -11.382 1.00 0.00 H new ATOM 0 HG22 VAL A 20 4.161 4.247 -12.044 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.556 4.923 -10.513 1.00 0.00 H new ATOM 290 N LEU A 21 5.778 2.005 -7.818 1.00 0.00 N ATOM 291 CA LEU A 21 6.670 1.327 -6.887 1.00 0.00 C ATOM 292 C LEU A 21 6.309 -0.151 -6.772 1.00 0.00 C ATOM 293 O LEU A 21 7.184 -1.016 -6.744 1.00 0.00 O ATOM 294 CB LEU A 21 6.603 1.989 -5.509 1.00 0.00 C ATOM 295 CG LEU A 21 7.433 1.310 -4.419 1.00 0.00 C ATOM 296 CD1 LEU A 21 8.806 1.955 -4.314 1.00 0.00 C ATOM 297 CD2 LEU A 21 6.710 1.375 -3.081 1.00 0.00 C ATOM 0 H LEU A 21 5.110 2.638 -7.378 1.00 0.00 H new ATOM 0 HA LEU A 21 7.687 1.407 -7.271 1.00 0.00 H new ATOM 0 HB2 LEU A 21 6.934 3.023 -5.604 1.00 0.00 H new ATOM 0 HB3 LEU A 21 5.562 2.016 -5.187 1.00 0.00 H new ATOM 0 HG LEU A 21 7.565 0.262 -4.689 1.00 0.00 H new ATOM 0 HD11 LEU A 21 9.382 1.459 -3.533 1.00 0.00 H new ATOM 0 HD12 LEU A 21 9.327 1.859 -5.267 1.00 0.00 H new ATOM 0 HD13 LEU A 21 8.694 3.011 -4.067 1.00 0.00 H new ATOM 0 HD21 LEU A 21 7.315 0.887 -2.317 1.00 0.00 H new ATOM 0 HD22 LEU A 21 6.548 2.417 -2.805 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.749 0.867 -3.162 1.00 0.00 H new ATOM 309 N LEU A 22 5.011 -0.430 -6.703 1.00 0.00 N ATOM 310 CA LEU A 22 4.528 -1.801 -6.587 1.00 0.00 C ATOM 311 C LEU A 22 4.910 -2.626 -7.813 1.00 0.00 C ATOM 312 O LEU A 22 5.442 -3.729 -7.688 1.00 0.00 O ATOM 313 CB LEU A 22 3.009 -1.811 -6.405 1.00 0.00 C ATOM 314 CG LEU A 22 2.526 -1.465 -4.996 1.00 0.00 C ATOM 315 CD1 LEU A 22 1.039 -1.148 -4.999 1.00 0.00 C ATOM 316 CD2 LEU A 22 2.826 -2.609 -4.039 1.00 0.00 C ATOM 0 H LEU A 22 4.275 0.276 -6.725 1.00 0.00 H new ATOM 0 HA LEU A 22 4.999 -2.251 -5.713 1.00 0.00 H new ATOM 0 HB2 LEU A 22 2.569 -1.104 -7.108 1.00 0.00 H new ATOM 0 HB3 LEU A 22 2.633 -2.799 -6.670 1.00 0.00 H new ATOM 0 HG LEU A 22 3.062 -0.578 -4.657 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.717 -0.905 -3.987 1.00 0.00 H new ATOM 0 HD12 LEU A 22 0.850 -0.298 -5.654 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.483 -2.014 -5.358 1.00 0.00 H new ATOM 0 HD21 LEU A 22 2.477 -2.349 -3.040 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.316 -3.511 -4.378 1.00 0.00 H new ATOM 0 HD23 LEU A 22 3.901 -2.789 -4.012 1.00 0.00 H new ATOM 328 N ASN A 23 4.635 -2.086 -8.997 1.00 0.00 N ATOM 329 CA ASN A 23 4.950 -2.779 -10.243 1.00 0.00 C ATOM 330 C ASN A 23 6.463 -2.901 -10.440 1.00 0.00 C ATOM 331 O ASN A 23 6.930 -3.757 -11.191 1.00 0.00 O ATOM 332 CB ASN A 23 4.296 -2.055 -11.432 1.00 0.00 C ATOM 333 CG ASN A 23 5.280 -1.257 -12.272 1.00 0.00 C ATOM 334 OD1 ASN A 23 5.655 -1.670 -13.370 1.00 0.00 O ATOM 335 ND2 ASN A 23 5.701 -0.110 -11.756 1.00 0.00 N ATOM 0 H ASN A 23 4.196 -1.174 -9.120 1.00 0.00 H new ATOM 0 HA ASN A 23 4.544 -3.789 -10.187 1.00 0.00 H new ATOM 0 HB2 ASN A 23 3.801 -2.790 -12.067 1.00 0.00 H new ATOM 0 HB3 ASN A 23 3.522 -1.384 -11.058 1.00 0.00 H new ATOM 0 HD21 ASN A 23 6.362 0.469 -12.273 1.00 0.00 H new ATOM 0 HD22 ASN A 23 5.363 0.193 -10.842 1.00 0.00 H new ATOM 342 N GLN A 24 7.221 -2.044 -9.762 1.00 0.00 N ATOM 343 CA GLN A 24 8.677 -2.062 -9.866 1.00 0.00 C ATOM 344 C GLN A 24 9.277 -3.220 -9.066 1.00 0.00 C ATOM 345 O GLN A 24 10.486 -3.452 -9.108 1.00 0.00 O ATOM 346 CB GLN A 24 9.259 -0.733 -9.375 1.00 0.00 C ATOM 347 CG GLN A 24 9.975 0.056 -10.460 1.00 0.00 C ATOM 348 CD GLN A 24 9.064 0.421 -11.616 1.00 0.00 C ATOM 349 OE1 GLN A 24 8.257 -0.392 -12.067 1.00 0.00 O ATOM 350 NE2 GLN A 24 9.191 1.650 -12.104 1.00 0.00 N ATOM 0 H GLN A 24 6.852 -1.329 -9.135 1.00 0.00 H new ATOM 0 HA GLN A 24 8.935 -2.203 -10.915 1.00 0.00 H new ATOM 0 HB2 GLN A 24 8.454 -0.123 -8.965 1.00 0.00 H new ATOM 0 HB3 GLN A 24 9.956 -0.930 -8.561 1.00 0.00 H new ATOM 0 HG2 GLN A 24 10.389 0.967 -10.028 1.00 0.00 H new ATOM 0 HG3 GLN A 24 10.815 -0.529 -10.835 1.00 0.00 H new ATOM 0 HE21 GLN A 24 9.873 2.291 -11.699 1.00 0.00 H new ATOM 0 HE22 GLN A 24 8.606 1.952 -12.883 1.00 0.00 H new ATOM 359 N GLN A 25 8.430 -3.946 -8.338 1.00 0.00 N ATOM 360 CA GLN A 25 8.885 -5.074 -7.535 1.00 0.00 C ATOM 361 C GLN A 25 8.924 -6.353 -8.367 1.00 0.00 C ATOM 362 O GLN A 25 7.885 -6.941 -8.666 1.00 0.00 O ATOM 363 CB GLN A 25 7.968 -5.269 -6.326 1.00 0.00 C ATOM 364 CG GLN A 25 8.285 -4.340 -5.168 1.00 0.00 C ATOM 365 CD GLN A 25 9.119 -5.011 -4.095 1.00 0.00 C ATOM 366 OE1 GLN A 25 9.007 -6.218 -3.871 1.00 0.00 O ATOM 367 NE2 GLN A 25 9.960 -4.234 -3.425 1.00 0.00 N ATOM 0 H GLN A 25 7.426 -3.771 -8.289 1.00 0.00 H new ATOM 0 HA GLN A 25 9.894 -4.856 -7.187 1.00 0.00 H new ATOM 0 HB2 GLN A 25 6.935 -5.112 -6.635 1.00 0.00 H new ATOM 0 HB3 GLN A 25 8.045 -6.301 -5.985 1.00 0.00 H new ATOM 0 HG2 GLN A 25 8.817 -3.466 -5.543 1.00 0.00 H new ATOM 0 HG3 GLN A 25 7.354 -3.982 -4.729 1.00 0.00 H new ATOM 0 HE21 GLN A 25 10.020 -3.240 -3.644 1.00 0.00 H new ATOM 0 HE22 GLN A 25 10.547 -4.631 -2.691 1.00 0.00 H new ATOM 376 N VAL A 26 10.128 -6.779 -8.735 1.00 0.00 N ATOM 377 CA VAL A 26 10.298 -7.990 -9.531 1.00 0.00 C ATOM 378 C VAL A 26 11.065 -9.056 -8.756 1.00 0.00 C ATOM 379 O VAL A 26 12.293 -9.016 -8.676 1.00 0.00 O ATOM 380 CB VAL A 26 11.042 -7.697 -10.849 1.00 0.00 C ATOM 381 CG1 VAL A 26 10.097 -7.092 -11.875 1.00 0.00 C ATOM 382 CG2 VAL A 26 12.231 -6.780 -10.601 1.00 0.00 C ATOM 0 H VAL A 26 10.999 -6.305 -8.496 1.00 0.00 H new ATOM 0 HA VAL A 26 9.298 -8.359 -9.760 1.00 0.00 H new ATOM 0 HB VAL A 26 11.417 -8.639 -11.248 1.00 0.00 H new ATOM 0 HG11 VAL A 26 10.641 -6.893 -12.798 1.00 0.00 H new ATOM 0 HG12 VAL A 26 9.284 -7.789 -12.077 1.00 0.00 H new ATOM 0 HG13 VAL A 26 9.687 -6.160 -11.487 1.00 0.00 H new ATOM 0 HG21 VAL A 26 12.743 -6.585 -11.543 1.00 0.00 H new ATOM 0 HG22 VAL A 26 11.882 -5.839 -10.176 1.00 0.00 H new ATOM 0 HG23 VAL A 26 12.921 -7.258 -9.906 1.00 0.00 H new ATOM 392 N PHE A 27 10.334 -10.008 -8.186 1.00 0.00 N ATOM 393 CA PHE A 27 10.948 -11.083 -7.415 1.00 0.00 C ATOM 394 C PHE A 27 11.589 -12.118 -8.329 1.00 0.00 C ATOM 395 O PHE A 27 10.896 -12.925 -8.947 1.00 0.00 O ATOM 396 CB PHE A 27 9.905 -11.766 -6.530 1.00 0.00 C ATOM 397 CG PHE A 27 9.173 -10.821 -5.625 1.00 0.00 C ATOM 398 CD1 PHE A 27 9.866 -10.009 -4.744 1.00 0.00 C ATOM 399 CD2 PHE A 27 7.790 -10.747 -5.654 1.00 0.00 C ATOM 400 CE1 PHE A 27 9.195 -9.139 -3.908 1.00 0.00 C ATOM 401 CE2 PHE A 27 7.112 -9.879 -4.820 1.00 0.00 C ATOM 402 CZ PHE A 27 7.816 -9.075 -3.946 1.00 0.00 C ATOM 0 H PHE A 27 9.317 -10.057 -8.243 1.00 0.00 H new ATOM 0 HA PHE A 27 11.723 -10.640 -6.790 1.00 0.00 H new ATOM 0 HB2 PHE A 27 9.183 -12.280 -7.165 1.00 0.00 H new ATOM 0 HB3 PHE A 27 10.397 -12.527 -5.925 1.00 0.00 H new ATOM 0 HD1 PHE A 27 10.944 -10.057 -4.710 1.00 0.00 H new ATOM 0 HD2 PHE A 27 7.236 -11.375 -6.336 1.00 0.00 H new ATOM 0 HE1 PHE A 27 9.747 -8.510 -3.226 1.00 0.00 H new ATOM 0 HE2 PHE A 27 6.034 -9.830 -4.852 1.00 0.00 H new ATOM 0 HZ PHE A 27 7.289 -8.396 -3.292 1.00 0.00 H new ATOM 412 N ASN A 28 12.915 -12.104 -8.402 1.00 0.00 N ATOM 413 CA ASN A 28 13.631 -13.060 -9.231 1.00 0.00 C ATOM 414 C ASN A 28 13.447 -14.466 -8.672 1.00 0.00 C ATOM 415 O ASN A 28 12.520 -15.176 -9.063 1.00 0.00 O ATOM 416 CB ASN A 28 15.118 -12.697 -9.312 1.00 0.00 C ATOM 417 CG ASN A 28 15.477 -12.002 -10.611 1.00 0.00 C ATOM 418 OD1 ASN A 28 16.519 -12.276 -11.207 1.00 0.00 O ATOM 419 ND2 ASN A 28 14.616 -11.095 -11.057 1.00 0.00 N ATOM 0 H ASN A 28 13.511 -11.445 -7.900 1.00 0.00 H new ATOM 0 HA ASN A 28 13.223 -13.028 -10.241 1.00 0.00 H new ATOM 0 HB2 ASN A 28 15.377 -12.050 -8.474 1.00 0.00 H new ATOM 0 HB3 ASN A 28 15.716 -13.603 -9.211 1.00 0.00 H new ATOM 0 HD21 ASN A 28 14.806 -10.595 -11.925 1.00 0.00 H new ATOM 0 HD22 ASN A 28 13.764 -10.899 -10.532 1.00 0.00 H new ATOM 426 N ASP A 29 14.320 -14.872 -7.753 1.00 0.00 N ATOM 427 CA ASP A 29 14.258 -16.185 -7.129 1.00 0.00 C ATOM 428 C ASP A 29 14.045 -15.997 -5.625 1.00 0.00 C ATOM 429 O ASP A 29 14.043 -14.863 -5.158 1.00 0.00 O ATOM 430 CB ASP A 29 15.555 -16.953 -7.399 1.00 0.00 C ATOM 431 CG ASP A 29 15.356 -18.095 -8.376 1.00 0.00 C ATOM 432 OD1 ASP A 29 14.540 -17.942 -9.310 1.00 0.00 O ATOM 433 OD2 ASP A 29 16.014 -19.142 -8.208 1.00 0.00 O ATOM 0 H ASP A 29 15.092 -14.295 -7.421 1.00 0.00 H new ATOM 0 HA ASP A 29 13.432 -16.762 -7.545 1.00 0.00 H new ATOM 0 HB2 ASP A 29 16.305 -16.267 -7.793 1.00 0.00 H new ATOM 0 HB3 ASP A 29 15.944 -17.345 -6.460 1.00 0.00 H new ATOM 438 N PRO A 30 13.845 -17.088 -4.849 1.00 0.00 N ATOM 439 CA PRO A 30 13.625 -17.059 -3.393 1.00 0.00 C ATOM 440 C PRO A 30 14.102 -15.791 -2.654 1.00 0.00 C ATOM 441 O PRO A 30 13.637 -15.516 -1.550 1.00 0.00 O ATOM 442 CB PRO A 30 14.420 -18.284 -2.957 1.00 0.00 C ATOM 443 CG PRO A 30 14.275 -19.262 -4.092 1.00 0.00 C ATOM 444 CD PRO A 30 13.823 -18.482 -5.313 1.00 0.00 C ATOM 0 HA PRO A 30 12.562 -17.057 -3.151 1.00 0.00 H new ATOM 0 HB2 PRO A 30 15.466 -18.034 -2.782 1.00 0.00 H new ATOM 0 HB3 PRO A 30 14.031 -18.697 -2.027 1.00 0.00 H new ATOM 0 HG2 PRO A 30 15.222 -19.765 -4.288 1.00 0.00 H new ATOM 0 HG3 PRO A 30 13.549 -20.035 -3.841 1.00 0.00 H new ATOM 0 HD2 PRO A 30 14.493 -18.635 -6.159 1.00 0.00 H new ATOM 0 HD3 PRO A 30 12.827 -18.783 -5.637 1.00 0.00 H new ATOM 452 N LEU A 31 14.957 -15.002 -3.302 1.00 0.00 N ATOM 453 CA LEU A 31 15.458 -13.720 -2.787 1.00 0.00 C ATOM 454 C LEU A 31 15.194 -13.481 -1.278 1.00 0.00 C ATOM 455 O LEU A 31 15.287 -14.402 -0.467 1.00 0.00 O ATOM 456 CB LEU A 31 14.827 -12.614 -3.646 1.00 0.00 C ATOM 457 CG LEU A 31 13.293 -12.587 -3.645 1.00 0.00 C ATOM 458 CD1 LEU A 31 12.774 -11.437 -2.797 1.00 0.00 C ATOM 459 CD2 LEU A 31 12.755 -12.484 -5.067 1.00 0.00 C ATOM 0 H LEU A 31 15.332 -15.238 -4.221 1.00 0.00 H new ATOM 0 HA LEU A 31 16.545 -13.722 -2.862 1.00 0.00 H new ATOM 0 HB2 LEU A 31 15.192 -11.649 -3.295 1.00 0.00 H new ATOM 0 HB3 LEU A 31 15.173 -12.731 -4.673 1.00 0.00 H new ATOM 0 HG LEU A 31 12.939 -13.521 -3.209 1.00 0.00 H new ATOM 0 HD11 LEU A 31 11.684 -11.438 -2.811 1.00 0.00 H new ATOM 0 HD12 LEU A 31 13.124 -11.554 -1.771 1.00 0.00 H new ATOM 0 HD13 LEU A 31 13.141 -10.493 -3.200 1.00 0.00 H new ATOM 0 HD21 LEU A 31 11.665 -12.466 -5.043 1.00 0.00 H new ATOM 0 HD22 LEU A 31 13.123 -11.568 -5.530 1.00 0.00 H new ATOM 0 HD23 LEU A 31 13.091 -13.344 -5.646 1.00 0.00 H new ATOM 471 N VAL A 32 14.899 -12.223 -0.914 1.00 0.00 N ATOM 472 CA VAL A 32 14.649 -11.832 0.474 1.00 0.00 C ATOM 473 C VAL A 32 13.462 -12.571 1.086 1.00 0.00 C ATOM 474 O VAL A 32 12.593 -13.078 0.377 1.00 0.00 O ATOM 475 CB VAL A 32 14.411 -10.310 0.596 1.00 0.00 C ATOM 476 CG1 VAL A 32 13.166 -9.884 -0.167 1.00 0.00 C ATOM 477 CG2 VAL A 32 14.309 -9.896 2.049 1.00 0.00 C ATOM 0 H VAL A 32 14.828 -11.451 -1.577 1.00 0.00 H new ATOM 0 HA VAL A 32 15.547 -12.108 1.027 1.00 0.00 H new ATOM 0 HB VAL A 32 15.269 -9.804 0.152 1.00 0.00 H new ATOM 0 HG11 VAL A 32 13.025 -8.808 -0.062 1.00 0.00 H new ATOM 0 HG12 VAL A 32 13.282 -10.134 -1.222 1.00 0.00 H new ATOM 0 HG13 VAL A 32 12.297 -10.404 0.235 1.00 0.00 H new ATOM 0 HG21 VAL A 32 14.142 -8.821 2.110 1.00 0.00 H new ATOM 0 HG22 VAL A 32 13.477 -10.420 2.519 1.00 0.00 H new ATOM 0 HG23 VAL A 32 15.235 -10.149 2.565 1.00 0.00 H new ATOM 487 N SER A 33 13.432 -12.604 2.416 1.00 0.00 N ATOM 488 CA SER A 33 12.351 -13.252 3.149 1.00 0.00 C ATOM 489 C SER A 33 11.120 -12.357 3.192 1.00 0.00 C ATOM 490 O SER A 33 11.181 -11.181 2.834 1.00 0.00 O ATOM 491 CB SER A 33 12.799 -13.597 4.571 1.00 0.00 C ATOM 492 OG SER A 33 11.847 -14.427 5.217 1.00 0.00 O ATOM 0 H SER A 33 14.149 -12.187 3.010 1.00 0.00 H new ATOM 0 HA SER A 33 12.093 -14.175 2.629 1.00 0.00 H new ATOM 0 HB2 SER A 33 13.765 -14.102 4.539 1.00 0.00 H new ATOM 0 HB3 SER A 33 12.937 -12.681 5.145 1.00 0.00 H new ATOM 0 HG SER A 33 12.156 -14.635 6.123 1.00 0.00 H new ATOM 498 N GLU A 34 10.002 -12.918 3.640 1.00 0.00 N ATOM 499 CA GLU A 34 8.758 -12.165 3.736 1.00 0.00 C ATOM 500 C GLU A 34 8.839 -11.130 4.850 1.00 0.00 C ATOM 501 O GLU A 34 8.110 -10.139 4.843 1.00 0.00 O ATOM 502 CB GLU A 34 7.581 -13.113 3.980 1.00 0.00 C ATOM 503 CG GLU A 34 6.682 -13.289 2.767 1.00 0.00 C ATOM 504 CD GLU A 34 5.302 -12.698 2.973 1.00 0.00 C ATOM 505 OE1 GLU A 34 4.793 -12.761 4.112 1.00 0.00 O ATOM 506 OE2 GLU A 34 4.729 -12.172 1.996 1.00 0.00 O ATOM 0 H GLU A 34 9.932 -13.890 3.942 1.00 0.00 H new ATOM 0 HA GLU A 34 8.600 -11.643 2.792 1.00 0.00 H new ATOM 0 HB2 GLU A 34 7.966 -14.087 4.281 1.00 0.00 H new ATOM 0 HB3 GLU A 34 6.986 -12.734 4.811 1.00 0.00 H new ATOM 0 HG2 GLU A 34 7.149 -12.818 1.902 1.00 0.00 H new ATOM 0 HG3 GLU A 34 6.588 -14.351 2.540 1.00 0.00 H new ATOM 513 N GLU A 35 9.730 -11.367 5.805 1.00 0.00 N ATOM 514 CA GLU A 35 9.905 -10.456 6.925 1.00 0.00 C ATOM 515 C GLU A 35 10.449 -9.110 6.458 1.00 0.00 C ATOM 516 O GLU A 35 10.092 -8.068 7.011 1.00 0.00 O ATOM 517 CB GLU A 35 10.845 -11.067 7.965 1.00 0.00 C ATOM 518 CG GLU A 35 10.590 -10.572 9.378 1.00 0.00 C ATOM 519 CD GLU A 35 11.508 -9.430 9.769 1.00 0.00 C ATOM 520 OE1 GLU A 35 12.740 -9.625 9.751 1.00 0.00 O ATOM 521 OE2 GLU A 35 10.991 -8.339 10.092 1.00 0.00 O ATOM 0 H GLU A 35 10.342 -12.183 5.825 1.00 0.00 H new ATOM 0 HA GLU A 35 8.928 -10.291 7.380 1.00 0.00 H new ATOM 0 HB2 GLU A 35 10.741 -12.152 7.944 1.00 0.00 H new ATOM 0 HB3 GLU A 35 11.875 -10.840 7.690 1.00 0.00 H new ATOM 0 HG2 GLU A 35 9.553 -10.246 9.464 1.00 0.00 H new ATOM 0 HG3 GLU A 35 10.723 -11.397 10.078 1.00 0.00 H new ATOM 528 N ASP A 36 11.305 -9.121 5.434 1.00 0.00 N ATOM 529 CA ASP A 36 11.861 -7.873 4.926 1.00 0.00 C ATOM 530 C ASP A 36 10.822 -7.131 4.097 1.00 0.00 C ATOM 531 O ASP A 36 10.596 -5.937 4.290 1.00 0.00 O ATOM 532 CB ASP A 36 13.113 -8.138 4.095 1.00 0.00 C ATOM 533 CG ASP A 36 14.247 -7.195 4.444 1.00 0.00 C ATOM 534 OD1 ASP A 36 14.948 -7.456 5.446 1.00 0.00 O ATOM 535 OD2 ASP A 36 14.435 -6.198 3.717 1.00 0.00 O ATOM 0 H ASP A 36 11.621 -9.962 4.951 1.00 0.00 H new ATOM 0 HA ASP A 36 12.140 -7.251 5.776 1.00 0.00 H new ATOM 0 HB2 ASP A 36 13.438 -9.167 4.251 1.00 0.00 H new ATOM 0 HB3 ASP A 36 12.872 -8.036 3.037 1.00 0.00 H new ATOM 540 N MET A 37 10.185 -7.853 3.184 1.00 0.00 N ATOM 541 CA MET A 37 9.159 -7.255 2.340 1.00 0.00 C ATOM 542 C MET A 37 8.023 -6.735 3.213 1.00 0.00 C ATOM 543 O MET A 37 7.604 -5.584 3.090 1.00 0.00 O ATOM 544 CB MET A 37 8.623 -8.279 1.337 1.00 0.00 C ATOM 545 CG MET A 37 7.569 -7.717 0.397 1.00 0.00 C ATOM 546 SD MET A 37 8.280 -6.978 -1.086 1.00 0.00 S ATOM 547 CE MET A 37 9.045 -5.510 -0.401 1.00 0.00 C ATOM 0 H MET A 37 10.358 -8.843 3.010 1.00 0.00 H new ATOM 0 HA MET A 37 9.598 -6.427 1.783 1.00 0.00 H new ATOM 0 HB2 MET A 37 9.454 -8.667 0.747 1.00 0.00 H new ATOM 0 HB3 MET A 37 8.199 -9.122 1.883 1.00 0.00 H new ATOM 0 HG2 MET A 37 6.884 -8.514 0.108 1.00 0.00 H new ATOM 0 HG3 MET A 37 6.980 -6.967 0.925 1.00 0.00 H new ATOM 0 HE1 MET A 37 8.832 -4.655 -1.043 1.00 0.00 H new ATOM 0 HE2 MET A 37 8.646 -5.323 0.596 1.00 0.00 H new ATOM 0 HE3 MET A 37 10.123 -5.657 -0.338 1.00 0.00 H new ATOM 557 N VAL A 38 7.534 -7.597 4.098 1.00 0.00 N ATOM 558 CA VAL A 38 6.451 -7.245 5.002 1.00 0.00 C ATOM 559 C VAL A 38 6.800 -5.997 5.809 1.00 0.00 C ATOM 560 O VAL A 38 5.996 -5.069 5.902 1.00 0.00 O ATOM 561 CB VAL A 38 6.139 -8.420 5.961 1.00 0.00 C ATOM 562 CG1 VAL A 38 5.409 -7.951 7.213 1.00 0.00 C ATOM 563 CG2 VAL A 38 5.334 -9.492 5.240 1.00 0.00 C ATOM 0 H VAL A 38 7.876 -8.552 4.207 1.00 0.00 H new ATOM 0 HA VAL A 38 5.567 -7.035 4.400 1.00 0.00 H new ATOM 0 HB VAL A 38 7.090 -8.847 6.280 1.00 0.00 H new ATOM 0 HG11 VAL A 38 5.209 -8.806 7.859 1.00 0.00 H new ATOM 0 HG12 VAL A 38 6.028 -7.230 7.747 1.00 0.00 H new ATOM 0 HG13 VAL A 38 4.467 -7.481 6.930 1.00 0.00 H new ATOM 0 HG21 VAL A 38 5.122 -10.312 5.927 1.00 0.00 H new ATOM 0 HG22 VAL A 38 4.396 -9.065 4.884 1.00 0.00 H new ATOM 0 HG23 VAL A 38 5.906 -9.868 4.392 1.00 0.00 H new ATOM 573 N THR A 39 7.997 -5.969 6.393 1.00 0.00 N ATOM 574 CA THR A 39 8.422 -4.821 7.187 1.00 0.00 C ATOM 575 C THR A 39 8.484 -3.558 6.333 1.00 0.00 C ATOM 576 O THR A 39 8.145 -2.470 6.798 1.00 0.00 O ATOM 577 CB THR A 39 9.786 -5.091 7.825 1.00 0.00 C ATOM 578 OG1 THR A 39 9.730 -6.233 8.661 1.00 0.00 O ATOM 579 CG2 THR A 39 10.296 -3.936 8.662 1.00 0.00 C ATOM 0 H THR A 39 8.683 -6.721 6.332 1.00 0.00 H new ATOM 0 HA THR A 39 7.686 -4.665 7.976 1.00 0.00 H new ATOM 0 HB THR A 39 10.470 -5.244 6.990 1.00 0.00 H new ATOM 0 HG1 THR A 39 10.296 -6.940 8.287 1.00 0.00 H new ATOM 0 HG21 THR A 39 11.267 -4.194 9.085 1.00 0.00 H new ATOM 0 HG22 THR A 39 10.397 -3.050 8.036 1.00 0.00 H new ATOM 0 HG23 THR A 39 9.592 -3.732 9.469 1.00 0.00 H new ATOM 587 N VAL A 40 8.903 -3.708 5.081 1.00 0.00 N ATOM 588 CA VAL A 40 8.987 -2.574 4.169 1.00 0.00 C ATOM 589 C VAL A 40 7.589 -2.078 3.828 1.00 0.00 C ATOM 590 O VAL A 40 7.344 -0.874 3.742 1.00 0.00 O ATOM 591 CB VAL A 40 9.729 -2.943 2.868 1.00 0.00 C ATOM 592 CG1 VAL A 40 9.840 -1.735 1.949 1.00 0.00 C ATOM 593 CG2 VAL A 40 11.105 -3.511 3.179 1.00 0.00 C ATOM 0 H VAL A 40 9.188 -4.600 4.676 1.00 0.00 H new ATOM 0 HA VAL A 40 9.550 -1.788 4.672 1.00 0.00 H new ATOM 0 HB VAL A 40 9.151 -3.710 2.352 1.00 0.00 H new ATOM 0 HG11 VAL A 40 10.367 -2.018 1.038 1.00 0.00 H new ATOM 0 HG12 VAL A 40 8.842 -1.378 1.695 1.00 0.00 H new ATOM 0 HG13 VAL A 40 10.391 -0.942 2.455 1.00 0.00 H new ATOM 0 HG21 VAL A 40 11.613 -3.765 2.248 1.00 0.00 H new ATOM 0 HG22 VAL A 40 11.691 -2.769 3.721 1.00 0.00 H new ATOM 0 HG23 VAL A 40 10.999 -4.407 3.791 1.00 0.00 H new ATOM 603 N VAL A 41 6.673 -3.023 3.651 1.00 0.00 N ATOM 604 CA VAL A 41 5.291 -2.704 3.333 1.00 0.00 C ATOM 605 C VAL A 41 4.641 -1.937 4.482 1.00 0.00 C ATOM 606 O VAL A 41 4.013 -0.898 4.275 1.00 0.00 O ATOM 607 CB VAL A 41 4.489 -3.991 3.053 1.00 0.00 C ATOM 608 CG1 VAL A 41 3.041 -3.673 2.724 1.00 0.00 C ATOM 609 CG2 VAL A 41 5.134 -4.784 1.926 1.00 0.00 C ATOM 0 H VAL A 41 6.867 -4.022 3.723 1.00 0.00 H new ATOM 0 HA VAL A 41 5.285 -2.080 2.439 1.00 0.00 H new ATOM 0 HB VAL A 41 4.500 -4.600 3.957 1.00 0.00 H new ATOM 0 HG11 VAL A 41 2.500 -4.599 2.531 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.582 -3.153 3.565 1.00 0.00 H new ATOM 0 HG13 VAL A 41 3.000 -3.038 1.839 1.00 0.00 H new ATOM 0 HG21 VAL A 41 4.556 -5.689 1.741 1.00 0.00 H new ATOM 0 HG22 VAL A 41 5.157 -4.177 1.021 1.00 0.00 H new ATOM 0 HG23 VAL A 41 6.152 -5.055 2.208 1.00 0.00 H new ATOM 619 N GLU A 42 4.799 -2.461 5.694 1.00 0.00 N ATOM 620 CA GLU A 42 4.231 -1.833 6.882 1.00 0.00 C ATOM 621 C GLU A 42 4.747 -0.405 7.049 1.00 0.00 C ATOM 622 O GLU A 42 3.966 0.531 7.219 1.00 0.00 O ATOM 623 CB GLU A 42 4.564 -2.660 8.127 1.00 0.00 C ATOM 624 CG GLU A 42 3.414 -3.535 8.601 1.00 0.00 C ATOM 625 CD GLU A 42 2.948 -3.180 10.000 1.00 0.00 C ATOM 626 OE1 GLU A 42 3.609 -3.603 10.971 1.00 0.00 O ATOM 627 OE2 GLU A 42 1.921 -2.479 10.123 1.00 0.00 O ATOM 0 H GLU A 42 5.317 -3.320 5.879 1.00 0.00 H new ATOM 0 HA GLU A 42 3.149 -1.792 6.758 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.426 -3.292 7.914 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.854 -1.987 8.934 1.00 0.00 H new ATOM 0 HG2 GLU A 42 2.578 -3.437 7.908 1.00 0.00 H new ATOM 0 HG3 GLU A 42 3.725 -4.580 8.580 1.00 0.00 H new ATOM 634 N ASP A 43 6.067 -0.247 7.003 1.00 0.00 N ATOM 635 CA ASP A 43 6.690 1.066 7.154 1.00 0.00 C ATOM 636 C ASP A 43 6.132 2.065 6.143 1.00 0.00 C ATOM 637 O ASP A 43 5.827 3.208 6.488 1.00 0.00 O ATOM 638 CB ASP A 43 8.207 0.952 6.989 1.00 0.00 C ATOM 639 CG ASP A 43 8.958 1.937 7.865 1.00 0.00 C ATOM 640 OD1 ASP A 43 9.173 3.083 7.418 1.00 0.00 O ATOM 641 OD2 ASP A 43 9.331 1.560 8.995 1.00 0.00 O ATOM 0 H ASP A 43 6.727 -1.012 6.862 1.00 0.00 H new ATOM 0 HA ASP A 43 6.461 1.432 8.155 1.00 0.00 H new ATOM 0 HB2 ASP A 43 8.522 -0.062 7.235 1.00 0.00 H new ATOM 0 HB3 ASP A 43 8.470 1.123 5.945 1.00 0.00 H new ATOM 646 N TRP A 44 6.032 1.639 4.888 1.00 0.00 N ATOM 647 CA TRP A 44 5.548 2.516 3.828 1.00 0.00 C ATOM 648 C TRP A 44 4.131 3.002 4.121 1.00 0.00 C ATOM 649 O TRP A 44 3.847 4.198 4.032 1.00 0.00 O ATOM 650 CB TRP A 44 5.576 1.787 2.483 1.00 0.00 C ATOM 651 CG TRP A 44 6.948 1.674 1.890 1.00 0.00 C ATOM 652 CD1 TRP A 44 8.053 2.400 2.231 1.00 0.00 C ATOM 653 CD2 TRP A 44 7.359 0.781 0.851 1.00 0.00 C ATOM 654 NE1 TRP A 44 9.125 2.012 1.467 1.00 0.00 N ATOM 655 CE2 TRP A 44 8.725 1.020 0.612 1.00 0.00 C ATOM 656 CE3 TRP A 44 6.704 -0.198 0.097 1.00 0.00 C ATOM 657 CZ2 TRP A 44 9.447 0.314 -0.347 1.00 0.00 C ATOM 658 CZ3 TRP A 44 7.422 -0.898 -0.854 1.00 0.00 C ATOM 659 CH2 TRP A 44 8.781 -0.639 -1.069 1.00 0.00 C ATOM 0 H TRP A 44 6.278 0.698 4.581 1.00 0.00 H new ATOM 0 HA TRP A 44 6.208 3.382 3.783 1.00 0.00 H new ATOM 0 HB2 TRP A 44 5.162 0.787 2.613 1.00 0.00 H new ATOM 0 HB3 TRP A 44 4.928 2.312 1.781 1.00 0.00 H new ATOM 0 HD1 TRP A 44 8.080 3.167 2.991 1.00 0.00 H new ATOM 0 HE1 TRP A 44 10.067 2.400 1.526 1.00 0.00 H new ATOM 0 HE3 TRP A 44 5.656 -0.403 0.255 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 10.495 0.512 -0.515 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 6.927 -1.657 -1.441 1.00 0.00 H new ATOM 0 HH2 TRP A 44 9.315 -1.203 -1.820 1.00 0.00 H new ATOM 670 N MET A 45 3.245 2.080 4.475 1.00 0.00 N ATOM 671 CA MET A 45 1.864 2.437 4.781 1.00 0.00 C ATOM 672 C MET A 45 1.803 3.397 5.967 1.00 0.00 C ATOM 673 O MET A 45 0.934 4.267 6.032 1.00 0.00 O ATOM 674 CB MET A 45 1.045 1.179 5.082 1.00 0.00 C ATOM 675 CG MET A 45 0.218 0.695 3.901 1.00 0.00 C ATOM 676 SD MET A 45 0.943 -0.740 3.085 1.00 0.00 S ATOM 677 CE MET A 45 0.415 -2.054 4.183 1.00 0.00 C ATOM 0 H MET A 45 3.455 1.085 4.557 1.00 0.00 H new ATOM 0 HA MET A 45 1.440 2.936 3.910 1.00 0.00 H new ATOM 0 HB2 MET A 45 1.720 0.382 5.393 1.00 0.00 H new ATOM 0 HB3 MET A 45 0.380 1.380 5.922 1.00 0.00 H new ATOM 0 HG2 MET A 45 -0.786 0.444 4.244 1.00 0.00 H new ATOM 0 HG3 MET A 45 0.115 1.505 3.179 1.00 0.00 H new ATOM 0 HE1 MET A 45 0.447 -3.006 3.653 1.00 0.00 H new ATOM 0 HE2 MET A 45 1.080 -2.096 5.046 1.00 0.00 H new ATOM 0 HE3 MET A 45 -0.604 -1.860 4.519 1.00 0.00 H new ATOM 687 N ASN A 46 2.728 3.224 6.906 1.00 0.00 N ATOM 688 CA ASN A 46 2.777 4.067 8.097 1.00 0.00 C ATOM 689 C ASN A 46 3.230 5.486 7.757 1.00 0.00 C ATOM 690 O ASN A 46 2.750 6.456 8.347 1.00 0.00 O ATOM 691 CB ASN A 46 3.708 3.455 9.146 1.00 0.00 C ATOM 692 CG ASN A 46 2.964 2.599 10.151 1.00 0.00 C ATOM 693 OD1 ASN A 46 2.793 2.984 11.308 1.00 0.00 O ATOM 694 ND2 ASN A 46 2.516 1.428 9.712 1.00 0.00 N ATOM 0 H ASN A 46 3.454 2.508 6.866 1.00 0.00 H new ATOM 0 HA ASN A 46 1.768 4.123 8.506 1.00 0.00 H new ATOM 0 HB2 ASN A 46 4.465 2.850 8.647 1.00 0.00 H new ATOM 0 HB3 ASN A 46 4.233 4.253 9.671 1.00 0.00 H new ATOM 0 HD21 ASN A 46 2.008 0.808 10.342 1.00 0.00 H new ATOM 0 HD22 ASN A 46 2.680 1.149 8.745 1.00 0.00 H new ATOM 701 N PHE A 47 4.144 5.618 6.803 1.00 0.00 N ATOM 702 CA PHE A 47 4.610 6.939 6.414 1.00 0.00 C ATOM 703 C PHE A 47 3.505 7.663 5.671 1.00 0.00 C ATOM 704 O PHE A 47 3.328 8.861 5.834 1.00 0.00 O ATOM 705 CB PHE A 47 5.900 6.861 5.574 1.00 0.00 C ATOM 706 CG PHE A 47 5.752 7.231 4.114 1.00 0.00 C ATOM 707 CD1 PHE A 47 5.512 8.546 3.719 1.00 0.00 C ATOM 708 CD2 PHE A 47 5.871 6.259 3.135 1.00 0.00 C ATOM 709 CE1 PHE A 47 5.393 8.869 2.382 1.00 0.00 C ATOM 710 CE2 PHE A 47 5.754 6.580 1.797 1.00 0.00 C ATOM 711 CZ PHE A 47 5.516 7.886 1.420 1.00 0.00 C ATOM 0 H PHE A 47 4.569 4.842 6.295 1.00 0.00 H new ATOM 0 HA PHE A 47 4.859 7.503 7.313 1.00 0.00 H new ATOM 0 HB2 PHE A 47 6.645 7.518 6.023 1.00 0.00 H new ATOM 0 HB3 PHE A 47 6.292 5.846 5.635 1.00 0.00 H new ATOM 0 HD1 PHE A 47 5.418 9.320 4.466 1.00 0.00 H new ATOM 0 HD2 PHE A 47 6.058 5.235 3.422 1.00 0.00 H new ATOM 0 HE1 PHE A 47 5.204 9.891 2.088 1.00 0.00 H new ATOM 0 HE2 PHE A 47 5.849 5.810 1.046 1.00 0.00 H new ATOM 0 HZ PHE A 47 5.426 8.139 0.374 1.00 0.00 H new ATOM 721 N TYR A 48 2.751 6.921 4.874 1.00 0.00 N ATOM 722 CA TYR A 48 1.648 7.506 4.131 1.00 0.00 C ATOM 723 C TYR A 48 0.587 8.023 5.090 1.00 0.00 C ATOM 724 O TYR A 48 0.123 9.153 4.967 1.00 0.00 O ATOM 725 CB TYR A 48 1.030 6.477 3.181 1.00 0.00 C ATOM 726 CG TYR A 48 1.877 6.159 1.969 1.00 0.00 C ATOM 727 CD1 TYR A 48 2.364 7.170 1.150 1.00 0.00 C ATOM 728 CD2 TYR A 48 2.180 4.844 1.638 1.00 0.00 C ATOM 729 CE1 TYR A 48 3.129 6.880 0.037 1.00 0.00 C ATOM 730 CE2 TYR A 48 2.946 4.546 0.527 1.00 0.00 C ATOM 731 CZ TYR A 48 3.418 5.567 -0.269 1.00 0.00 C ATOM 732 OH TYR A 48 4.179 5.274 -1.378 1.00 0.00 O ATOM 0 H TYR A 48 2.882 5.920 4.726 1.00 0.00 H new ATOM 0 HA TYR A 48 2.035 8.337 3.541 1.00 0.00 H new ATOM 0 HB2 TYR A 48 0.846 5.555 3.733 1.00 0.00 H new ATOM 0 HB3 TYR A 48 0.061 6.846 2.845 1.00 0.00 H new ATOM 0 HD1 TYR A 48 2.141 8.200 1.387 1.00 0.00 H new ATOM 0 HD2 TYR A 48 1.811 4.041 2.259 1.00 0.00 H new ATOM 0 HE1 TYR A 48 3.499 7.678 -0.590 1.00 0.00 H new ATOM 0 HE2 TYR A 48 3.173 3.519 0.284 1.00 0.00 H new ATOM 0 HH TYR A 48 4.291 4.303 -1.451 1.00 0.00 H new ATOM 742 N ILE A 49 0.192 7.181 6.038 1.00 0.00 N ATOM 743 CA ILE A 49 -0.828 7.557 7.007 1.00 0.00 C ATOM 744 C ILE A 49 -0.442 8.825 7.771 1.00 0.00 C ATOM 745 O ILE A 49 -1.243 9.755 7.886 1.00 0.00 O ATOM 746 CB ILE A 49 -1.118 6.414 8.012 1.00 0.00 C ATOM 747 CG1 ILE A 49 -2.297 6.785 8.908 1.00 0.00 C ATOM 748 CG2 ILE A 49 0.103 6.095 8.853 1.00 0.00 C ATOM 749 CD1 ILE A 49 -2.861 5.613 9.682 1.00 0.00 C ATOM 0 H ILE A 49 0.561 6.237 6.155 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.735 7.755 6.435 1.00 0.00 H new ATOM 0 HB ILE A 49 -1.373 5.521 7.441 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -1.980 7.555 9.611 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -3.087 7.219 8.294 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -0.134 5.289 9.548 1.00 0.00 H new ATOM 0 HG22 ILE A 49 0.921 5.785 8.203 1.00 0.00 H new ATOM 0 HG23 ILE A 49 0.400 6.981 9.413 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -3.695 5.951 10.297 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -3.209 4.850 8.985 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.085 5.193 10.322 1.00 0.00 H new ATOM 761 N ASN A 50 0.782 8.863 8.295 1.00 0.00 N ATOM 762 CA ASN A 50 1.248 10.023 9.055 1.00 0.00 C ATOM 763 C ASN A 50 1.562 11.212 8.150 1.00 0.00 C ATOM 764 O ASN A 50 1.342 12.365 8.523 1.00 0.00 O ATOM 765 CB ASN A 50 2.488 9.654 9.870 1.00 0.00 C ATOM 766 CG ASN A 50 2.173 8.685 10.992 1.00 0.00 C ATOM 767 OD1 ASN A 50 2.311 7.472 10.837 1.00 0.00 O ATOM 768 ND2 ASN A 50 1.746 9.217 12.131 1.00 0.00 N ATOM 0 H ASN A 50 1.465 8.110 8.209 1.00 0.00 H new ATOM 0 HA ASN A 50 0.441 10.319 9.725 1.00 0.00 H new ATOM 0 HB2 ASN A 50 3.235 9.212 9.211 1.00 0.00 H new ATOM 0 HB3 ASN A 50 2.928 10.560 10.288 1.00 0.00 H new ATOM 0 HD21 ASN A 50 1.518 8.614 12.921 1.00 0.00 H new ATOM 0 HD22 ASN A 50 1.646 10.229 12.216 1.00 0.00 H new ATOM 775 N TYR A 51 2.102 10.927 6.975 1.00 0.00 N ATOM 776 CA TYR A 51 2.482 11.964 6.023 1.00 0.00 C ATOM 777 C TYR A 51 1.261 12.641 5.408 1.00 0.00 C ATOM 778 O TYR A 51 1.217 13.865 5.280 1.00 0.00 O ATOM 779 CB TYR A 51 3.356 11.331 4.940 1.00 0.00 C ATOM 780 CG TYR A 51 3.699 12.232 3.785 1.00 0.00 C ATOM 781 CD1 TYR A 51 4.112 13.542 3.982 1.00 0.00 C ATOM 782 CD2 TYR A 51 3.621 11.754 2.488 1.00 0.00 C ATOM 783 CE1 TYR A 51 4.433 14.350 2.911 1.00 0.00 C ATOM 784 CE2 TYR A 51 3.941 12.550 1.416 1.00 0.00 C ATOM 785 CZ TYR A 51 4.348 13.851 1.628 1.00 0.00 C ATOM 786 OH TYR A 51 4.669 14.652 0.557 1.00 0.00 O ATOM 0 H TYR A 51 2.289 9.977 6.654 1.00 0.00 H new ATOM 0 HA TYR A 51 3.040 12.741 6.546 1.00 0.00 H new ATOM 0 HB2 TYR A 51 4.283 10.987 5.399 1.00 0.00 H new ATOM 0 HB3 TYR A 51 2.845 10.449 4.553 1.00 0.00 H new ATOM 0 HD1 TYR A 51 4.183 13.934 4.986 1.00 0.00 H new ATOM 0 HD2 TYR A 51 3.303 10.736 2.316 1.00 0.00 H new ATOM 0 HE1 TYR A 51 4.750 15.369 3.076 1.00 0.00 H new ATOM 0 HE2 TYR A 51 3.874 12.159 0.411 1.00 0.00 H new ATOM 0 HH TYR A 51 4.556 14.146 -0.275 1.00 0.00 H new ATOM 796 N TYR A 52 0.277 11.841 5.031 1.00 0.00 N ATOM 797 CA TYR A 52 -0.943 12.363 4.430 1.00 0.00 C ATOM 798 C TYR A 52 -1.828 13.021 5.480 1.00 0.00 C ATOM 799 O TYR A 52 -2.455 14.048 5.219 1.00 0.00 O ATOM 800 CB TYR A 52 -1.711 11.247 3.728 1.00 0.00 C ATOM 801 CG TYR A 52 -1.014 10.720 2.500 1.00 0.00 C ATOM 802 CD1 TYR A 52 -0.538 11.584 1.522 1.00 0.00 C ATOM 803 CD2 TYR A 52 -0.831 9.357 2.319 1.00 0.00 C ATOM 804 CE1 TYR A 52 0.101 11.103 0.397 1.00 0.00 C ATOM 805 CE2 TYR A 52 -0.192 8.867 1.200 1.00 0.00 C ATOM 806 CZ TYR A 52 0.272 9.743 0.240 1.00 0.00 C ATOM 807 OH TYR A 52 0.914 9.260 -0.877 1.00 0.00 O ATOM 0 H TYR A 52 0.298 10.826 5.130 1.00 0.00 H new ATOM 0 HA TYR A 52 -0.660 13.116 3.695 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -1.866 10.427 4.429 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -2.697 11.616 3.446 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -0.670 12.649 1.644 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -1.195 8.668 3.067 1.00 0.00 H new ATOM 0 HE1 TYR A 52 0.465 11.787 -0.356 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -0.055 7.803 1.075 1.00 0.00 H new ATOM 0 HH TYR A 52 1.535 8.549 -0.615 1.00 0.00 H new ATOM 817 N ARG A 53 -1.872 12.431 6.671 1.00 0.00 N ATOM 818 CA ARG A 53 -2.680 12.971 7.759 1.00 0.00 C ATOM 819 C ARG A 53 -2.339 14.436 8.015 1.00 0.00 C ATOM 820 O ARG A 53 -3.160 15.195 8.529 1.00 0.00 O ATOM 821 CB ARG A 53 -2.460 12.158 9.036 1.00 0.00 C ATOM 822 CG ARG A 53 -3.509 11.081 9.262 1.00 0.00 C ATOM 823 CD ARG A 53 -4.093 11.149 10.664 1.00 0.00 C ATOM 824 NE ARG A 53 -3.344 10.319 11.609 1.00 0.00 N ATOM 825 CZ ARG A 53 -2.405 10.783 12.432 1.00 0.00 C ATOM 826 NH1 ARG A 53 -2.093 12.073 12.447 1.00 0.00 N ATOM 827 NH2 ARG A 53 -1.775 9.950 13.250 1.00 0.00 N ATOM 0 H ARG A 53 -1.359 11.581 6.907 1.00 0.00 H new ATOM 0 HA ARG A 53 -3.728 12.904 7.467 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -1.476 11.691 8.994 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -2.456 12.834 9.891 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -4.308 11.192 8.529 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -3.063 10.099 9.101 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -4.091 12.183 11.008 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -5.133 10.823 10.640 1.00 0.00 H new ATOM 0 HE ARG A 53 -3.555 9.321 11.639 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -2.574 12.721 11.824 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -1.372 12.416 13.082 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -2.010 8.957 13.247 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -1.055 10.302 13.881 1.00 0.00 H new ATOM 841 N GLN A 54 -1.113 14.822 7.669 1.00 0.00 N ATOM 842 CA GLN A 54 -0.650 16.186 7.878 1.00 0.00 C ATOM 843 C GLN A 54 -0.462 16.933 6.556 1.00 0.00 C ATOM 844 O GLN A 54 -0.149 18.123 6.553 1.00 0.00 O ATOM 845 CB GLN A 54 0.673 16.166 8.645 1.00 0.00 C ATOM 846 CG GLN A 54 0.508 15.921 10.136 1.00 0.00 C ATOM 847 CD GLN A 54 1.805 15.519 10.810 1.00 0.00 C ATOM 848 OE1 GLN A 54 2.226 16.137 11.788 1.00 0.00 O ATOM 849 NE2 GLN A 54 2.448 14.481 10.287 1.00 0.00 N ATOM 0 H GLN A 54 -0.423 14.205 7.241 1.00 0.00 H new ATOM 0 HA GLN A 54 -1.412 16.711 8.454 1.00 0.00 H new ATOM 0 HB2 GLN A 54 1.314 15.390 8.227 1.00 0.00 H new ATOM 0 HB3 GLN A 54 1.184 17.117 8.496 1.00 0.00 H new ATOM 0 HG2 GLN A 54 0.123 16.825 10.608 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -0.235 15.139 10.291 1.00 0.00 H new ATOM 0 HE21 GLN A 54 2.062 13.998 9.476 1.00 0.00 H new ATOM 0 HE22 GLN A 54 3.328 14.167 10.697 1.00 0.00 H new ATOM 858 N GLN A 55 -0.636 16.234 5.436 1.00 0.00 N ATOM 859 CA GLN A 55 -0.462 16.851 4.125 1.00 0.00 C ATOM 860 C GLN A 55 -1.800 17.106 3.431 1.00 0.00 C ATOM 861 O GLN A 55 -1.956 16.813 2.246 1.00 0.00 O ATOM 862 CB GLN A 55 0.418 15.966 3.241 1.00 0.00 C ATOM 863 CG GLN A 55 0.928 16.670 1.994 1.00 0.00 C ATOM 864 CD GLN A 55 1.839 17.835 2.317 1.00 0.00 C ATOM 865 OE1 GLN A 55 1.424 18.994 2.280 1.00 0.00 O ATOM 866 NE2 GLN A 55 3.089 17.532 2.639 1.00 0.00 N ATOM 0 H GLN A 55 -0.895 15.248 5.410 1.00 0.00 H new ATOM 0 HA GLN A 55 0.022 17.815 4.279 1.00 0.00 H new ATOM 0 HB2 GLN A 55 1.269 15.616 3.825 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -0.150 15.084 2.944 1.00 0.00 H new ATOM 0 HG2 GLN A 55 1.465 15.955 1.371 1.00 0.00 H new ATOM 0 HG3 GLN A 55 0.080 17.027 1.410 1.00 0.00 H new ATOM 0 HE21 GLN A 55 3.389 16.557 2.657 1.00 0.00 H new ATOM 0 HE22 GLN A 55 3.750 18.274 2.869 1.00 0.00 H new ATOM 927 N PRO A 60 -12.041 19.564 7.756 1.00 0.00 N ATOM 928 CA PRO A 60 -11.656 18.275 8.344 1.00 0.00 C ATOM 929 C PRO A 60 -12.345 17.094 7.667 1.00 0.00 C ATOM 930 O PRO A 60 -11.860 15.964 7.732 1.00 0.00 O ATOM 931 CB PRO A 60 -12.104 18.391 9.806 1.00 0.00 C ATOM 932 CG PRO A 60 -13.107 19.493 9.820 1.00 0.00 C ATOM 933 CD PRO A 60 -12.678 20.449 8.745 1.00 0.00 C ATOM 0 HA PRO A 60 -10.589 18.085 8.228 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -12.540 17.457 10.160 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -11.261 18.617 10.460 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -14.110 19.112 9.627 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -13.135 19.985 10.792 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -13.526 20.986 8.320 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -11.983 21.198 9.124 1.00 0.00 H new ATOM 941 N GLN A 61 -13.476 17.357 7.021 1.00 0.00 N ATOM 942 CA GLN A 61 -14.223 16.308 6.337 1.00 0.00 C ATOM 943 C GLN A 61 -13.449 15.790 5.129 1.00 0.00 C ATOM 944 O GLN A 61 -13.469 14.597 4.828 1.00 0.00 O ATOM 945 CB GLN A 61 -15.592 16.832 5.896 1.00 0.00 C ATOM 946 CG GLN A 61 -16.710 16.508 6.873 1.00 0.00 C ATOM 947 CD GLN A 61 -17.535 15.312 6.437 1.00 0.00 C ATOM 948 OE1 GLN A 61 -17.079 14.170 6.505 1.00 0.00 O ATOM 949 NE2 GLN A 61 -18.757 15.569 5.985 1.00 0.00 N ATOM 0 H GLN A 61 -13.895 18.285 6.957 1.00 0.00 H new ATOM 0 HA GLN A 61 -14.366 15.483 7.035 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -15.534 17.913 5.768 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -15.838 16.409 4.922 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -16.283 16.311 7.856 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -17.361 17.376 6.976 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -19.095 16.531 5.946 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -19.358 14.805 5.677 1.00 0.00 H new ATOM 958 N GLU A 62 -12.764 16.699 4.443 1.00 0.00 N ATOM 959 CA GLU A 62 -11.979 16.340 3.269 1.00 0.00 C ATOM 960 C GLU A 62 -10.827 15.422 3.658 1.00 0.00 C ATOM 961 O GLU A 62 -10.596 14.397 3.018 1.00 0.00 O ATOM 962 CB GLU A 62 -11.439 17.598 2.585 1.00 0.00 C ATOM 963 CG GLU A 62 -11.445 17.514 1.067 1.00 0.00 C ATOM 964 CD GLU A 62 -10.308 16.672 0.525 1.00 0.00 C ATOM 965 OE1 GLU A 62 -9.157 16.876 0.965 1.00 0.00 O ATOM 966 OE2 GLU A 62 -10.568 15.810 -0.340 1.00 0.00 O ATOM 0 H GLU A 62 -12.737 17.691 4.681 1.00 0.00 H new ATOM 0 HA GLU A 62 -12.627 15.810 2.571 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -12.036 18.455 2.896 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -10.420 17.779 2.927 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -12.394 17.094 0.734 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -11.378 18.519 0.651 1.00 0.00 H new ATOM 973 N ARG A 63 -10.112 15.790 4.719 1.00 0.00 N ATOM 974 CA ARG A 63 -8.996 14.985 5.188 1.00 0.00 C ATOM 975 C ARG A 63 -9.478 13.597 5.580 1.00 0.00 C ATOM 976 O ARG A 63 -8.908 12.591 5.165 1.00 0.00 O ATOM 977 CB ARG A 63 -8.329 15.648 6.396 1.00 0.00 C ATOM 978 CG ARG A 63 -7.744 17.017 6.099 1.00 0.00 C ATOM 979 CD ARG A 63 -8.424 18.107 6.913 1.00 0.00 C ATOM 980 NE ARG A 63 -7.585 19.297 7.040 1.00 0.00 N ATOM 981 CZ ARG A 63 -6.599 19.419 7.927 1.00 0.00 C ATOM 982 NH1 ARG A 63 -6.327 18.432 8.771 1.00 0.00 N ATOM 983 NH2 ARG A 63 -5.882 20.534 7.969 1.00 0.00 N ATOM 0 H ARG A 63 -10.287 16.634 5.264 1.00 0.00 H new ATOM 0 HA ARG A 63 -8.271 14.902 4.379 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -9.062 15.743 7.197 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -7.536 14.997 6.764 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -6.676 17.012 6.318 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -7.851 17.236 5.037 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -9.368 18.377 6.440 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -8.663 17.724 7.905 1.00 0.00 H new ATOM 0 HE ARG A 63 -7.765 20.080 6.412 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -6.875 17.572 8.743 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -5.570 18.533 9.447 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -6.086 21.296 7.323 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -5.127 20.629 8.648 1.00 0.00 H new ATOM 997 N ASP A 64 -10.515 13.554 6.411 1.00 0.00 N ATOM 998 CA ASP A 64 -11.045 12.286 6.886 1.00 0.00 C ATOM 999 C ASP A 64 -11.424 11.367 5.730 1.00 0.00 C ATOM 1000 O ASP A 64 -11.136 10.168 5.777 1.00 0.00 O ATOM 1001 CB ASP A 64 -12.259 12.519 7.789 1.00 0.00 C ATOM 1002 CG ASP A 64 -11.906 12.433 9.261 1.00 0.00 C ATOM 1003 OD1 ASP A 64 -11.629 11.313 9.740 1.00 0.00 O ATOM 1004 OD2 ASP A 64 -11.908 13.485 9.935 1.00 0.00 O ATOM 0 H ASP A 64 -11.000 14.378 6.766 1.00 0.00 H new ATOM 0 HA ASP A 64 -10.259 11.797 7.461 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -12.684 13.500 7.576 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -13.028 11.781 7.558 1.00 0.00 H new ATOM 1009 N LYS A 65 -12.056 11.903 4.684 1.00 0.00 N ATOM 1010 CA LYS A 65 -12.438 11.077 3.546 1.00 0.00 C ATOM 1011 C LYS A 65 -11.201 10.547 2.842 1.00 0.00 C ATOM 1012 O LYS A 65 -11.088 9.353 2.574 1.00 0.00 O ATOM 1013 CB LYS A 65 -13.296 11.893 2.574 1.00 0.00 C ATOM 1014 CG LYS A 65 -13.653 11.158 1.291 1.00 0.00 C ATOM 1015 CD LYS A 65 -13.998 12.131 0.174 1.00 0.00 C ATOM 1016 CE LYS A 65 -13.269 11.786 -1.115 1.00 0.00 C ATOM 1017 NZ LYS A 65 -14.118 10.980 -2.036 1.00 0.00 N ATOM 0 H LYS A 65 -12.309 12.888 4.604 1.00 0.00 H new ATOM 0 HA LYS A 65 -13.022 10.229 3.904 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -14.216 12.188 3.079 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -12.764 12.810 2.319 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -12.816 10.531 0.984 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -14.499 10.495 1.473 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -15.074 12.118 -0.001 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -13.737 13.144 0.480 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -12.962 12.705 -1.615 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -12.360 11.232 -0.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -13.828 11.156 -3.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -14.005 9.970 -1.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -15.115 11.251 -1.916 1.00 0.00 H new ATOM 1031 N ALA A 66 -10.274 11.446 2.548 1.00 0.00 N ATOM 1032 CA ALA A 66 -9.036 11.070 1.881 1.00 0.00 C ATOM 1033 C ALA A 66 -8.288 10.021 2.695 1.00 0.00 C ATOM 1034 O ALA A 66 -7.754 9.060 2.145 1.00 0.00 O ATOM 1035 CB ALA A 66 -8.161 12.295 1.658 1.00 0.00 C ATOM 0 H ALA A 66 -10.355 12.440 2.760 1.00 0.00 H new ATOM 0 HA ALA A 66 -9.283 10.640 0.910 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -7.239 11.998 1.158 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -8.694 13.015 1.037 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -7.922 12.751 2.619 1.00 0.00 H new ATOM 1041 N LEU A 67 -8.255 10.217 4.009 1.00 0.00 N ATOM 1042 CA LEU A 67 -7.570 9.294 4.906 1.00 0.00 C ATOM 1043 C LEU A 67 -8.162 7.891 4.815 1.00 0.00 C ATOM 1044 O LEU A 67 -7.428 6.902 4.778 1.00 0.00 O ATOM 1045 CB LEU A 67 -7.653 9.806 6.347 1.00 0.00 C ATOM 1046 CG LEU A 67 -6.388 10.494 6.874 1.00 0.00 C ATOM 1047 CD1 LEU A 67 -5.758 11.373 5.801 1.00 0.00 C ATOM 1048 CD2 LEU A 67 -6.715 11.314 8.112 1.00 0.00 C ATOM 0 H LEU A 67 -8.696 11.009 4.477 1.00 0.00 H new ATOM 0 HA LEU A 67 -6.525 9.239 4.601 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -8.484 10.508 6.418 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -7.888 8.966 7.000 1.00 0.00 H new ATOM 0 HG LEU A 67 -5.665 9.724 7.144 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.863 11.849 6.200 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -5.490 10.761 4.940 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -6.470 12.139 5.494 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -5.809 11.798 8.478 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -7.456 12.073 7.860 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -7.115 10.660 8.887 1.00 0.00 H new ATOM 1060 N GLN A 68 -9.490 7.802 4.775 1.00 0.00 N ATOM 1061 CA GLN A 68 -10.154 6.507 4.687 1.00 0.00 C ATOM 1062 C GLN A 68 -10.034 5.927 3.284 1.00 0.00 C ATOM 1063 O GLN A 68 -9.759 4.738 3.117 1.00 0.00 O ATOM 1064 CB GLN A 68 -11.628 6.627 5.084 1.00 0.00 C ATOM 1065 CG GLN A 68 -12.408 7.635 4.256 1.00 0.00 C ATOM 1066 CD GLN A 68 -13.888 7.638 4.581 1.00 0.00 C ATOM 1067 OE1 GLN A 68 -14.313 8.204 5.588 1.00 0.00 O ATOM 1068 NE2 GLN A 68 -14.683 7.002 3.727 1.00 0.00 N ATOM 0 H GLN A 68 -10.120 8.603 4.802 1.00 0.00 H new ATOM 0 HA GLN A 68 -9.659 5.830 5.383 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -12.101 5.649 4.989 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -11.689 6.909 6.135 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -12.001 8.632 4.426 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -12.273 7.412 3.198 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -14.287 6.546 2.905 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -15.689 6.970 3.894 1.00 0.00 H new ATOM 1077 N GLU A 69 -10.252 6.764 2.275 1.00 0.00 N ATOM 1078 CA GLU A 69 -10.176 6.320 0.892 1.00 0.00 C ATOM 1079 C GLU A 69 -8.776 5.823 0.562 1.00 0.00 C ATOM 1080 O GLU A 69 -8.615 4.818 -0.132 1.00 0.00 O ATOM 1081 CB GLU A 69 -10.570 7.455 -0.056 1.00 0.00 C ATOM 1082 CG GLU A 69 -11.563 7.035 -1.128 1.00 0.00 C ATOM 1083 CD GLU A 69 -13.001 7.307 -0.730 1.00 0.00 C ATOM 1084 OE1 GLU A 69 -13.478 8.438 -0.961 1.00 0.00 O ATOM 1085 OE2 GLU A 69 -13.651 6.388 -0.188 1.00 0.00 O ATOM 0 H GLU A 69 -10.482 7.751 2.391 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.875 5.494 0.761 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -10.999 8.271 0.526 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -9.672 7.844 -0.536 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -11.339 7.566 -2.053 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -11.442 5.971 -1.334 1.00 0.00 H new ATOM 1092 N LEU A 70 -7.765 6.513 1.074 1.00 0.00 N ATOM 1093 CA LEU A 70 -6.388 6.105 0.833 1.00 0.00 C ATOM 1094 C LEU A 70 -6.116 4.793 1.548 1.00 0.00 C ATOM 1095 O LEU A 70 -5.593 3.847 0.959 1.00 0.00 O ATOM 1096 CB LEU A 70 -5.408 7.178 1.309 1.00 0.00 C ATOM 1097 CG LEU A 70 -4.206 7.401 0.394 1.00 0.00 C ATOM 1098 CD1 LEU A 70 -4.664 7.713 -1.021 1.00 0.00 C ATOM 1099 CD2 LEU A 70 -3.334 8.520 0.935 1.00 0.00 C ATOM 0 H LEU A 70 -7.870 7.347 1.651 1.00 0.00 H new ATOM 0 HA LEU A 70 -6.246 5.971 -0.239 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -5.946 8.120 1.414 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -5.046 6.905 2.300 1.00 0.00 H new ATOM 0 HG LEU A 70 -3.615 6.486 0.366 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -3.794 7.869 -1.659 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -5.251 6.879 -1.406 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -5.276 8.615 -1.015 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -2.481 8.669 0.273 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -3.915 9.440 0.990 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -2.979 8.255 1.931 1.00 0.00 H new ATOM 1111 N ARG A 71 -6.480 4.742 2.826 1.00 0.00 N ATOM 1112 CA ARG A 71 -6.279 3.542 3.625 1.00 0.00 C ATOM 1113 C ARG A 71 -6.945 2.344 2.958 1.00 0.00 C ATOM 1114 O ARG A 71 -6.417 1.233 2.982 1.00 0.00 O ATOM 1115 CB ARG A 71 -6.842 3.738 5.034 1.00 0.00 C ATOM 1116 CG ARG A 71 -6.031 3.042 6.116 1.00 0.00 C ATOM 1117 CD ARG A 71 -6.275 1.541 6.120 1.00 0.00 C ATOM 1118 NE ARG A 71 -5.030 0.785 6.236 1.00 0.00 N ATOM 1119 CZ ARG A 71 -4.364 0.629 7.377 1.00 0.00 C ATOM 1120 NH1 ARG A 71 -4.820 1.171 8.501 1.00 0.00 N ATOM 1121 NH2 ARG A 71 -3.238 -0.071 7.397 1.00 0.00 N ATOM 0 H ARG A 71 -6.914 5.517 3.328 1.00 0.00 H new ATOM 0 HA ARG A 71 -5.208 3.353 3.699 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -6.885 4.805 5.254 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -7.866 3.365 5.062 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -4.970 3.238 5.960 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -6.292 3.456 7.090 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -6.934 1.283 6.949 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -6.789 1.255 5.202 1.00 0.00 H new ATOM 0 HE ARG A 71 -4.650 0.352 5.394 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -5.686 1.711 8.492 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -4.305 1.048 9.372 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -2.883 -0.490 6.538 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -2.727 -0.191 8.272 1.00 0.00 H new ATOM 1135 N GLN A 72 -8.102 2.585 2.347 1.00 0.00 N ATOM 1136 CA GLN A 72 -8.830 1.530 1.657 1.00 0.00 C ATOM 1137 C GLN A 72 -8.085 1.128 0.390 1.00 0.00 C ATOM 1138 O GLN A 72 -7.999 -0.052 0.052 1.00 0.00 O ATOM 1139 CB GLN A 72 -10.246 1.997 1.310 1.00 0.00 C ATOM 1140 CG GLN A 72 -11.130 0.895 0.748 1.00 0.00 C ATOM 1141 CD GLN A 72 -11.767 1.274 -0.575 1.00 0.00 C ATOM 1142 OE1 GLN A 72 -12.829 1.896 -0.610 1.00 0.00 O ATOM 1143 NE2 GLN A 72 -11.120 0.899 -1.672 1.00 0.00 N ATOM 0 H GLN A 72 -8.553 3.500 2.317 1.00 0.00 H new ATOM 0 HA GLN A 72 -8.902 0.665 2.317 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -10.714 2.406 2.205 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -10.184 2.808 0.584 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -10.536 -0.009 0.615 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -11.913 0.659 1.469 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -10.242 0.385 -1.596 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -11.501 1.125 -2.591 1.00 0.00 H new ATOM 1152 N GLU A 73 -7.536 2.125 -0.302 1.00 0.00 N ATOM 1153 CA GLU A 73 -6.784 1.883 -1.525 1.00 0.00 C ATOM 1154 C GLU A 73 -5.575 1.004 -1.235 1.00 0.00 C ATOM 1155 O GLU A 73 -5.321 0.032 -1.943 1.00 0.00 O ATOM 1156 CB GLU A 73 -6.335 3.207 -2.147 1.00 0.00 C ATOM 1157 CG GLU A 73 -6.539 3.271 -3.653 1.00 0.00 C ATOM 1158 CD GLU A 73 -7.729 4.124 -4.044 1.00 0.00 C ATOM 1159 OE1 GLU A 73 -8.866 3.762 -3.676 1.00 0.00 O ATOM 1160 OE2 GLU A 73 -7.524 5.155 -4.718 1.00 0.00 O ATOM 0 H GLU A 73 -7.600 3.107 -0.034 1.00 0.00 H new ATOM 0 HA GLU A 73 -7.432 1.367 -2.233 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -6.885 4.024 -1.679 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -5.280 3.364 -1.924 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -5.640 3.672 -4.121 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -6.677 2.262 -4.040 1.00 0.00 H new ATOM 1167 N LEU A 74 -4.836 1.345 -0.185 1.00 0.00 N ATOM 1168 CA LEU A 74 -3.661 0.573 0.197 1.00 0.00 C ATOM 1169 C LEU A 74 -4.076 -0.813 0.678 1.00 0.00 C ATOM 1170 O LEU A 74 -3.465 -1.815 0.316 1.00 0.00 O ATOM 1171 CB LEU A 74 -2.878 1.298 1.293 1.00 0.00 C ATOM 1172 CG LEU A 74 -2.353 2.682 0.906 1.00 0.00 C ATOM 1173 CD1 LEU A 74 -2.462 3.642 2.080 1.00 0.00 C ATOM 1174 CD2 LEU A 74 -0.915 2.589 0.421 1.00 0.00 C ATOM 0 H LEU A 74 -5.029 2.148 0.414 1.00 0.00 H new ATOM 0 HA LEU A 74 -3.018 0.465 -0.676 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -3.519 1.401 2.169 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.033 0.675 1.588 1.00 0.00 H new ATOM 0 HG LEU A 74 -2.966 3.068 0.091 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -2.084 4.621 1.786 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -3.506 3.732 2.381 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -1.875 3.263 2.916 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -0.557 3.582 0.150 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -0.289 2.182 1.215 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -0.866 1.936 -0.450 1.00 0.00 H new ATOM 1186 N ASN A 75 -5.110 -0.856 1.514 1.00 0.00 N ATOM 1187 CA ASN A 75 -5.597 -2.118 2.061 1.00 0.00 C ATOM 1188 C ASN A 75 -5.873 -3.125 0.949 1.00 0.00 C ATOM 1189 O ASN A 75 -5.530 -4.300 1.066 1.00 0.00 O ATOM 1190 CB ASN A 75 -6.867 -1.887 2.885 1.00 0.00 C ATOM 1191 CG ASN A 75 -6.583 -1.802 4.372 1.00 0.00 C ATOM 1192 OD1 ASN A 75 -5.670 -2.452 4.879 1.00 0.00 O ATOM 1193 ND2 ASN A 75 -7.368 -0.997 5.079 1.00 0.00 N ATOM 0 H ASN A 75 -5.625 -0.033 1.827 1.00 0.00 H new ATOM 0 HA ASN A 75 -4.822 -2.526 2.710 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -7.348 -0.966 2.556 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -7.571 -2.698 2.698 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -7.225 -0.899 6.084 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -8.114 -0.477 4.617 1.00 0.00 H new ATOM 1200 N THR A 76 -6.471 -2.654 -0.138 1.00 0.00 N ATOM 1201 CA THR A 76 -6.755 -3.527 -1.270 1.00 0.00 C ATOM 1202 C THR A 76 -5.503 -3.695 -2.128 1.00 0.00 C ATOM 1203 O THR A 76 -5.109 -4.807 -2.459 1.00 0.00 O ATOM 1204 CB THR A 76 -7.895 -2.951 -2.114 1.00 0.00 C ATOM 1205 OG1 THR A 76 -7.935 -1.540 -2.005 1.00 0.00 O ATOM 1206 CG2 THR A 76 -9.257 -3.480 -1.722 1.00 0.00 C ATOM 0 H THR A 76 -6.766 -1.685 -0.260 1.00 0.00 H new ATOM 0 HA THR A 76 -7.059 -4.502 -0.891 1.00 0.00 H new ATOM 0 HB THR A 76 -7.683 -3.263 -3.137 1.00 0.00 H new ATOM 0 HG1 THR A 76 -8.314 -1.290 -1.137 1.00 0.00 H new ATOM 0 HG21 THR A 76 -10.019 -3.031 -2.359 1.00 0.00 H new ATOM 0 HG22 THR A 76 -9.275 -4.563 -1.842 1.00 0.00 H new ATOM 0 HG23 THR A 76 -9.460 -3.227 -0.681 1.00 0.00 H new ATOM 1214 N LEU A 77 -4.903 -2.569 -2.493 1.00 0.00 N ATOM 1215 CA LEU A 77 -3.704 -2.551 -3.333 1.00 0.00 C ATOM 1216 C LEU A 77 -2.631 -3.522 -2.835 1.00 0.00 C ATOM 1217 O LEU A 77 -2.022 -4.243 -3.625 1.00 0.00 O ATOM 1218 CB LEU A 77 -3.127 -1.132 -3.390 1.00 0.00 C ATOM 1219 CG LEU A 77 -3.797 -0.193 -4.397 1.00 0.00 C ATOM 1220 CD1 LEU A 77 -3.066 1.142 -4.451 1.00 0.00 C ATOM 1221 CD2 LEU A 77 -3.842 -0.833 -5.776 1.00 0.00 C ATOM 0 H LEU A 77 -5.230 -1.643 -2.218 1.00 0.00 H new ATOM 0 HA LEU A 77 -4.003 -2.874 -4.330 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -3.202 -0.687 -2.398 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.066 -1.198 -3.630 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.821 -0.011 -4.069 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.556 1.796 -5.172 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -3.086 1.608 -3.466 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.032 0.979 -4.754 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.322 -0.151 -6.478 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.827 -1.045 -6.112 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -4.410 -1.762 -5.728 1.00 0.00 H new ATOM 1233 N ALA A 78 -2.387 -3.519 -1.529 1.00 0.00 N ATOM 1234 CA ALA A 78 -1.372 -4.387 -0.930 1.00 0.00 C ATOM 1235 C ALA A 78 -1.829 -5.844 -0.835 1.00 0.00 C ATOM 1236 O ALA A 78 -1.006 -6.757 -0.784 1.00 0.00 O ATOM 1237 CB ALA A 78 -0.990 -3.868 0.447 1.00 0.00 C ATOM 0 H ALA A 78 -2.878 -2.925 -0.861 1.00 0.00 H new ATOM 0 HA ALA A 78 -0.502 -4.366 -1.586 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -0.234 -4.520 0.885 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -0.590 -2.858 0.357 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -1.872 -3.853 1.088 1.00 0.00 H new ATOM 1243 N ASN A 79 -3.140 -6.052 -0.766 1.00 0.00 N ATOM 1244 CA ASN A 79 -3.695 -7.399 -0.623 1.00 0.00 C ATOM 1245 C ASN A 79 -3.139 -8.374 -1.666 1.00 0.00 C ATOM 1246 O ASN A 79 -2.691 -9.466 -1.315 1.00 0.00 O ATOM 1247 CB ASN A 79 -5.220 -7.351 -0.724 1.00 0.00 C ATOM 1248 CG ASN A 79 -5.889 -8.451 0.076 1.00 0.00 C ATOM 1249 OD1 ASN A 79 -5.943 -8.396 1.305 1.00 0.00 O ATOM 1250 ND2 ASN A 79 -6.403 -9.459 -0.619 1.00 0.00 N ATOM 0 H ASN A 79 -3.838 -5.310 -0.806 1.00 0.00 H new ATOM 0 HA ASN A 79 -3.398 -7.766 0.360 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -5.574 -6.382 -0.371 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -5.515 -7.436 -1.770 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -6.865 -10.229 -0.135 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -6.335 -9.464 -1.637 1.00 0.00 H new ATOM 1257 N PRO A 80 -3.154 -8.010 -2.959 1.00 0.00 N ATOM 1258 CA PRO A 80 -2.645 -8.880 -4.022 1.00 0.00 C ATOM 1259 C PRO A 80 -1.123 -8.987 -4.023 1.00 0.00 C ATOM 1260 O PRO A 80 -0.563 -9.925 -4.588 1.00 0.00 O ATOM 1261 CB PRO A 80 -3.129 -8.197 -5.301 1.00 0.00 C ATOM 1262 CG PRO A 80 -3.245 -6.761 -4.933 1.00 0.00 C ATOM 1263 CD PRO A 80 -3.673 -6.738 -3.491 1.00 0.00 C ATOM 0 HA PRO A 80 -2.997 -9.905 -3.904 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -2.424 -8.342 -6.120 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -4.086 -8.602 -5.630 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -2.294 -6.246 -5.066 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -3.974 -6.254 -5.565 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -3.256 -5.881 -2.962 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -4.757 -6.675 -3.395 1.00 0.00 H new ATOM 1271 N PHE A 81 -0.454 -8.021 -3.394 1.00 0.00 N ATOM 1272 CA PHE A 81 1.005 -8.011 -3.335 1.00 0.00 C ATOM 1273 C PHE A 81 1.529 -9.042 -2.342 1.00 0.00 C ATOM 1274 O PHE A 81 2.373 -9.872 -2.683 1.00 0.00 O ATOM 1275 CB PHE A 81 1.498 -6.616 -2.943 1.00 0.00 C ATOM 1276 CG PHE A 81 2.971 -6.387 -3.166 1.00 0.00 C ATOM 1277 CD1 PHE A 81 3.769 -7.357 -3.757 1.00 0.00 C ATOM 1278 CD2 PHE A 81 3.555 -5.190 -2.784 1.00 0.00 C ATOM 1279 CE1 PHE A 81 5.117 -7.133 -3.960 1.00 0.00 C ATOM 1280 CE2 PHE A 81 4.903 -4.962 -2.986 1.00 0.00 C ATOM 1281 CZ PHE A 81 5.684 -5.935 -3.575 1.00 0.00 C ATOM 0 H PHE A 81 -0.900 -7.236 -2.919 1.00 0.00 H new ATOM 0 HA PHE A 81 1.385 -8.271 -4.323 1.00 0.00 H new ATOM 0 HB2 PHE A 81 0.938 -5.874 -3.512 1.00 0.00 H new ATOM 0 HB3 PHE A 81 1.273 -6.448 -1.890 1.00 0.00 H new ATOM 0 HD1 PHE A 81 3.332 -8.296 -4.061 1.00 0.00 H new ATOM 0 HD2 PHE A 81 2.949 -4.425 -2.322 1.00 0.00 H new ATOM 0 HE1 PHE A 81 5.728 -7.896 -4.420 1.00 0.00 H new ATOM 0 HE2 PHE A 81 5.344 -4.024 -2.683 1.00 0.00 H new ATOM 0 HZ PHE A 81 6.738 -5.759 -3.735 1.00 0.00 H new ATOM 1291 N LEU A 82 1.026 -8.986 -1.115 1.00 0.00 N ATOM 1292 CA LEU A 82 1.449 -9.921 -0.079 1.00 0.00 C ATOM 1293 C LEU A 82 1.022 -11.338 -0.440 1.00 0.00 C ATOM 1294 O LEU A 82 1.714 -12.307 -0.129 1.00 0.00 O ATOM 1295 CB LEU A 82 0.864 -9.521 1.277 1.00 0.00 C ATOM 1296 CG LEU A 82 1.240 -8.117 1.758 1.00 0.00 C ATOM 1297 CD1 LEU A 82 0.598 -7.827 3.105 1.00 0.00 C ATOM 1298 CD2 LEU A 82 2.753 -7.967 1.842 1.00 0.00 C ATOM 0 H LEU A 82 0.328 -8.306 -0.813 1.00 0.00 H new ATOM 0 HA LEU A 82 2.536 -9.890 -0.009 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -0.222 -9.590 1.221 1.00 0.00 H new ATOM 0 HB3 LEU A 82 1.192 -10.244 2.024 1.00 0.00 H new ATOM 0 HG LEU A 82 0.864 -7.393 1.035 1.00 0.00 H new ATOM 0 HD11 LEU A 82 0.876 -6.825 3.432 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -0.486 -7.891 3.013 1.00 0.00 H new ATOM 0 HD13 LEU A 82 0.944 -8.557 3.837 1.00 0.00 H new ATOM 0 HD21 LEU A 82 3.001 -6.963 2.186 1.00 0.00 H new ATOM 0 HD22 LEU A 82 3.153 -8.699 2.543 1.00 0.00 H new ATOM 0 HD23 LEU A 82 3.190 -8.132 0.857 1.00 0.00 H new ATOM 1310 N ALA A 83 -0.122 -11.446 -1.107 1.00 0.00 N ATOM 1311 CA ALA A 83 -0.642 -12.741 -1.522 1.00 0.00 C ATOM 1312 C ALA A 83 0.256 -13.366 -2.580 1.00 0.00 C ATOM 1313 O ALA A 83 0.745 -14.484 -2.413 1.00 0.00 O ATOM 1314 CB ALA A 83 -2.065 -12.602 -2.041 1.00 0.00 C ATOM 0 H ALA A 83 -0.706 -10.652 -1.371 1.00 0.00 H new ATOM 0 HA ALA A 83 -0.655 -13.400 -0.654 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -2.438 -13.580 -2.347 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -2.702 -12.201 -1.253 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -2.076 -11.926 -2.896 1.00 0.00 H new ATOM 1320 N LYS A 84 0.480 -12.632 -3.662 1.00 0.00 N ATOM 1321 CA LYS A 84 1.334 -13.111 -4.741 1.00 0.00 C ATOM 1322 C LYS A 84 2.741 -13.383 -4.216 1.00 0.00 C ATOM 1323 O LYS A 84 3.447 -14.262 -4.713 1.00 0.00 O ATOM 1324 CB LYS A 84 1.380 -12.092 -5.886 1.00 0.00 C ATOM 1325 CG LYS A 84 2.134 -10.811 -5.551 1.00 0.00 C ATOM 1326 CD LYS A 84 3.163 -10.466 -6.620 1.00 0.00 C ATOM 1327 CE LYS A 84 2.879 -9.111 -7.251 1.00 0.00 C ATOM 1328 NZ LYS A 84 3.717 -8.031 -6.656 1.00 0.00 N ATOM 0 H LYS A 84 0.083 -11.705 -3.816 1.00 0.00 H new ATOM 0 HA LYS A 84 0.917 -14.041 -5.127 1.00 0.00 H new ATOM 0 HB2 LYS A 84 1.846 -12.558 -6.754 1.00 0.00 H new ATOM 0 HB3 LYS A 84 0.360 -11.836 -6.171 1.00 0.00 H new ATOM 0 HG2 LYS A 84 1.426 -9.988 -5.449 1.00 0.00 H new ATOM 0 HG3 LYS A 84 2.633 -10.924 -4.589 1.00 0.00 H new ATOM 0 HD2 LYS A 84 4.160 -10.461 -6.179 1.00 0.00 H new ATOM 0 HD3 LYS A 84 3.160 -11.236 -7.392 1.00 0.00 H new ATOM 0 HE2 LYS A 84 3.065 -9.165 -8.324 1.00 0.00 H new ATOM 0 HE3 LYS A 84 1.825 -8.865 -7.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 3.238 -7.115 -6.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 3.859 -8.220 -5.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 4.640 -8.004 -7.135 1.00 0.00 H new ATOM 1342 N TYR A 85 3.132 -12.624 -3.198 1.00 0.00 N ATOM 1343 CA TYR A 85 4.450 -12.799 -2.607 1.00 0.00 C ATOM 1344 C TYR A 85 4.484 -14.091 -1.801 1.00 0.00 C ATOM 1345 O TYR A 85 5.367 -14.927 -1.997 1.00 0.00 O ATOM 1346 CB TYR A 85 4.812 -11.605 -1.722 1.00 0.00 C ATOM 1347 CG TYR A 85 6.295 -11.492 -1.448 1.00 0.00 C ATOM 1348 CD1 TYR A 85 7.225 -11.704 -2.460 1.00 0.00 C ATOM 1349 CD2 TYR A 85 6.767 -11.178 -0.180 1.00 0.00 C ATOM 1350 CE1 TYR A 85 8.579 -11.606 -2.216 1.00 0.00 C ATOM 1351 CE2 TYR A 85 8.122 -11.078 0.071 1.00 0.00 C ATOM 1352 CZ TYR A 85 9.023 -11.292 -0.950 1.00 0.00 C ATOM 1353 OH TYR A 85 10.372 -11.194 -0.703 1.00 0.00 O ATOM 0 H TYR A 85 2.564 -11.893 -2.771 1.00 0.00 H new ATOM 0 HA TYR A 85 5.188 -12.859 -3.407 1.00 0.00 H new ATOM 0 HB2 TYR A 85 4.467 -10.689 -2.201 1.00 0.00 H new ATOM 0 HB3 TYR A 85 4.280 -11.689 -0.775 1.00 0.00 H new ATOM 0 HD1 TYR A 85 6.881 -11.950 -3.454 1.00 0.00 H new ATOM 0 HD2 TYR A 85 6.064 -11.009 0.622 1.00 0.00 H new ATOM 0 HE1 TYR A 85 9.288 -11.775 -3.013 1.00 0.00 H new ATOM 0 HE2 TYR A 85 8.474 -10.833 1.062 1.00 0.00 H new ATOM 0 HH TYR A 85 10.700 -12.042 -0.338 1.00 0.00 H new ATOM 1363 N ARG A 86 3.525 -14.256 -0.892 1.00 0.00 N ATOM 1364 CA ARG A 86 3.465 -15.457 -0.065 1.00 0.00 C ATOM 1365 C ARG A 86 3.450 -16.704 -0.939 1.00 0.00 C ATOM 1366 O ARG A 86 4.073 -17.714 -0.610 1.00 0.00 O ATOM 1367 CB ARG A 86 2.224 -15.428 0.831 1.00 0.00 C ATOM 1368 CG ARG A 86 2.365 -14.515 2.039 1.00 0.00 C ATOM 1369 CD ARG A 86 2.234 -15.286 3.344 1.00 0.00 C ATOM 1370 NE ARG A 86 0.838 -15.463 3.738 1.00 0.00 N ATOM 1371 CZ ARG A 86 0.448 -15.759 4.976 1.00 0.00 C ATOM 1372 NH1 ARG A 86 1.345 -15.913 5.944 1.00 0.00 N ATOM 1373 NH2 ARG A 86 -0.842 -15.901 5.248 1.00 0.00 N ATOM 0 H ARG A 86 2.785 -13.578 -0.711 1.00 0.00 H new ATOM 0 HA ARG A 86 4.352 -15.483 0.567 1.00 0.00 H new ATOM 0 HB2 ARG A 86 1.367 -15.105 0.240 1.00 0.00 H new ATOM 0 HB3 ARG A 86 2.011 -16.440 1.174 1.00 0.00 H new ATOM 0 HG2 ARG A 86 3.333 -14.015 2.007 1.00 0.00 H new ATOM 0 HG3 ARG A 86 1.603 -13.737 1.998 1.00 0.00 H new ATOM 0 HD2 ARG A 86 2.707 -16.262 3.237 1.00 0.00 H new ATOM 0 HD3 ARG A 86 2.769 -14.757 4.133 1.00 0.00 H new ATOM 0 HE ARG A 86 0.120 -15.353 3.022 1.00 0.00 H new ATOM 0 HH11 ARG A 86 2.339 -15.804 5.741 1.00 0.00 H new ATOM 0 HH12 ARG A 86 1.040 -16.140 6.891 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -1.535 -15.783 4.509 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -1.141 -16.128 6.196 1.00 0.00 H new ATOM 1387 N ASP A 87 2.748 -16.620 -2.065 1.00 0.00 N ATOM 1388 CA ASP A 87 2.671 -17.737 -2.996 1.00 0.00 C ATOM 1389 C ASP A 87 4.027 -17.963 -3.657 1.00 0.00 C ATOM 1390 O ASP A 87 4.464 -19.101 -3.837 1.00 0.00 O ATOM 1391 CB ASP A 87 1.604 -17.472 -4.061 1.00 0.00 C ATOM 1392 CG ASP A 87 0.720 -18.680 -4.306 1.00 0.00 C ATOM 1393 OD1 ASP A 87 -0.185 -18.928 -3.482 1.00 0.00 O ATOM 1394 OD2 ASP A 87 0.934 -19.377 -5.319 1.00 0.00 O ATOM 0 H ASP A 87 2.226 -15.792 -2.353 1.00 0.00 H new ATOM 0 HA ASP A 87 2.394 -18.634 -2.442 1.00 0.00 H new ATOM 0 HB2 ASP A 87 0.986 -16.630 -3.751 1.00 0.00 H new ATOM 0 HB3 ASP A 87 2.089 -17.185 -4.994 1.00 0.00 H new ATOM 1399 N PHE A 88 4.693 -16.863 -4.005 1.00 0.00 N ATOM 1400 CA PHE A 88 6.005 -16.925 -4.638 1.00 0.00 C ATOM 1401 C PHE A 88 7.021 -17.581 -3.710 1.00 0.00 C ATOM 1402 O PHE A 88 7.894 -18.317 -4.159 1.00 0.00 O ATOM 1403 CB PHE A 88 6.473 -15.511 -5.025 1.00 0.00 C ATOM 1404 CG PHE A 88 7.924 -15.418 -5.434 1.00 0.00 C ATOM 1405 CD1 PHE A 88 8.333 -15.827 -6.694 1.00 0.00 C ATOM 1406 CD2 PHE A 88 8.877 -14.912 -4.558 1.00 0.00 C ATOM 1407 CE1 PHE A 88 9.662 -15.737 -7.072 1.00 0.00 C ATOM 1408 CE2 PHE A 88 10.203 -14.822 -4.932 1.00 0.00 C ATOM 1409 CZ PHE A 88 10.595 -15.234 -6.187 1.00 0.00 C ATOM 0 H PHE A 88 4.342 -15.917 -3.858 1.00 0.00 H new ATOM 0 HA PHE A 88 5.924 -17.531 -5.541 1.00 0.00 H new ATOM 0 HB2 PHE A 88 5.854 -15.150 -5.846 1.00 0.00 H new ATOM 0 HB3 PHE A 88 6.304 -14.843 -4.181 1.00 0.00 H new ATOM 0 HD1 PHE A 88 7.606 -16.221 -7.389 1.00 0.00 H new ATOM 0 HD2 PHE A 88 8.577 -14.585 -3.573 1.00 0.00 H new ATOM 0 HE1 PHE A 88 9.968 -16.059 -8.056 1.00 0.00 H new ATOM 0 HE2 PHE A 88 10.933 -14.428 -4.241 1.00 0.00 H new ATOM 0 HZ PHE A 88 11.632 -15.163 -6.479 1.00 0.00 H new ATOM 1419 N LEU A 89 6.904 -17.300 -2.415 1.00 0.00 N ATOM 1420 CA LEU A 89 7.826 -17.851 -1.426 1.00 0.00 C ATOM 1421 C LEU A 89 7.507 -19.306 -1.088 1.00 0.00 C ATOM 1422 O LEU A 89 8.408 -20.143 -1.020 1.00 0.00 O ATOM 1423 CB LEU A 89 7.807 -17.004 -0.152 1.00 0.00 C ATOM 1424 CG LEU A 89 9.180 -16.742 0.469 1.00 0.00 C ATOM 1425 CD1 LEU A 89 9.185 -15.422 1.225 1.00 0.00 C ATOM 1426 CD2 LEU A 89 9.575 -17.889 1.388 1.00 0.00 C ATOM 0 H LEU A 89 6.181 -16.695 -2.026 1.00 0.00 H new ATOM 0 HA LEU A 89 8.823 -17.826 -1.866 1.00 0.00 H new ATOM 0 HB2 LEU A 89 7.338 -16.046 -0.377 1.00 0.00 H new ATOM 0 HB3 LEU A 89 7.179 -17.501 0.588 1.00 0.00 H new ATOM 0 HG LEU A 89 9.914 -16.676 -0.334 1.00 0.00 H new ATOM 0 HD11 LEU A 89 10.171 -15.255 1.659 1.00 0.00 H new ATOM 0 HD12 LEU A 89 8.948 -14.609 0.539 1.00 0.00 H new ATOM 0 HD13 LEU A 89 8.440 -15.455 2.020 1.00 0.00 H new ATOM 0 HD21 LEU A 89 10.554 -17.687 1.822 1.00 0.00 H new ATOM 0 HD22 LEU A 89 8.838 -17.987 2.185 1.00 0.00 H new ATOM 0 HD23 LEU A 89 9.616 -18.816 0.816 1.00 0.00 H new ATOM 1438 N LYS A 90 6.232 -19.606 -0.877 1.00 0.00 N ATOM 1439 CA LYS A 90 5.817 -20.967 -0.545 1.00 0.00 C ATOM 1440 C LYS A 90 6.096 -21.917 -1.703 1.00 0.00 C ATOM 1441 O LYS A 90 6.312 -23.112 -1.502 1.00 0.00 O ATOM 1442 CB LYS A 90 4.331 -20.999 -0.199 1.00 0.00 C ATOM 1443 CG LYS A 90 3.430 -20.635 -1.366 1.00 0.00 C ATOM 1444 CD LYS A 90 1.967 -20.602 -0.953 1.00 0.00 C ATOM 1445 CE LYS A 90 1.722 -19.601 0.163 1.00 0.00 C ATOM 1446 NZ LYS A 90 0.279 -19.501 0.513 1.00 0.00 N ATOM 0 H LYS A 90 5.469 -18.931 -0.929 1.00 0.00 H new ATOM 0 HA LYS A 90 6.393 -21.294 0.321 1.00 0.00 H new ATOM 0 HB2 LYS A 90 4.070 -21.996 0.154 1.00 0.00 H new ATOM 0 HB3 LYS A 90 4.143 -20.310 0.624 1.00 0.00 H new ATOM 0 HG2 LYS A 90 3.720 -19.661 -1.760 1.00 0.00 H new ATOM 0 HG3 LYS A 90 3.566 -21.358 -2.171 1.00 0.00 H new ATOM 0 HD2 LYS A 90 1.351 -20.345 -1.815 1.00 0.00 H new ATOM 0 HD3 LYS A 90 1.658 -21.595 -0.626 1.00 0.00 H new ATOM 0 HE2 LYS A 90 2.290 -19.895 1.046 1.00 0.00 H new ATOM 0 HE3 LYS A 90 2.090 -18.621 -0.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 0.155 -18.808 1.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -0.260 -19.195 -0.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -0.067 -20.430 0.828 1.00 0.00 H new ATOM 1460 N SER A 91 6.092 -21.372 -2.912 1.00 0.00 N ATOM 1461 CA SER A 91 6.349 -22.167 -4.107 1.00 0.00 C ATOM 1462 C SER A 91 7.762 -22.744 -4.079 1.00 0.00 C ATOM 1463 O SER A 91 7.945 -23.953 -3.934 1.00 0.00 O ATOM 1464 CB SER A 91 6.154 -21.319 -5.365 1.00 0.00 C ATOM 1465 OG SER A 91 7.117 -20.283 -5.439 1.00 0.00 O ATOM 0 H SER A 91 5.914 -20.384 -3.092 1.00 0.00 H new ATOM 0 HA SER A 91 5.638 -22.993 -4.125 1.00 0.00 H new ATOM 0 HB2 SER A 91 6.229 -21.952 -6.249 1.00 0.00 H new ATOM 0 HB3 SER A 91 5.152 -20.889 -5.365 1.00 0.00 H new ATOM 0 HG SER A 91 7.311 -19.952 -4.537 1.00 0.00 H new