USER MOD reduce.3.24.130724 H: found=0, std=0, add=616, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 617 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 17 ASN : amide:sc= -0.266 K(o=-0.66,f=-16!) USER MOD Set 1.2: A 34 TYR OH : rot 65:sc= -0.392! USER MOD Single : A 11 GLN : amide:sc= -5.26! C(o=-5.3!,f=-5!) USER MOD Single : A 13 GLN : amide:sc= 0.832 K(o=0.83,f=-6.1!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 TYR OH : rot -165:sc= -0.74 USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= -0.367 K(o=-0.37,f=-4.2!) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 CYS SG : rot -16:sc= 0.115 USER MOD Single : A 60 THR OG1 : rot -81:sc= -0.0535 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= -0.364 K(o=-0.36,f=-2.9!) USER MOD Single : A 65 ASN : amide:sc= -0.801 X(o=-0.8,f=-1.2) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 6.832 6.353 -13.730 1.00 0.00 N ATOM 60 CA GLY A 7 5.395 6.164 -13.831 1.00 0.00 C ATOM 61 C GLY A 7 4.750 6.113 -12.445 1.00 0.00 C ATOM 62 O GLY A 7 4.972 5.169 -11.687 1.00 0.00 O ATOM 0 HA2 GLY A 7 4.957 6.977 -14.410 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.183 5.240 -14.369 1.00 0.00 H new ATOM 66 N LEU A 8 3.964 7.139 -12.154 1.00 0.00 N ATOM 67 CA LEU A 8 3.285 7.222 -10.872 1.00 0.00 C ATOM 68 C LEU A 8 2.780 5.834 -10.476 1.00 0.00 C ATOM 69 O LEU A 8 3.282 5.235 -9.526 1.00 0.00 O ATOM 70 CB LEU A 8 2.187 8.287 -10.915 1.00 0.00 C ATOM 71 CG LEU A 8 2.655 9.739 -10.797 1.00 0.00 C ATOM 72 CD1 LEU A 8 1.487 10.708 -10.988 1.00 0.00 C ATOM 73 CD2 LEU A 8 3.385 9.974 -9.473 1.00 0.00 C ATOM 0 H LEU A 8 3.782 7.920 -12.784 1.00 0.00 H new ATOM 0 HA LEU A 8 3.978 7.543 -10.094 1.00 0.00 H new ATOM 0 HB2 LEU A 8 1.639 8.178 -11.851 1.00 0.00 H new ATOM 0 HB3 LEU A 8 1.482 8.087 -10.108 1.00 0.00 H new ATOM 0 HG LEU A 8 3.369 9.934 -11.597 1.00 0.00 H new ATOM 0 HD11 LEU A 8 1.847 11.733 -10.899 1.00 0.00 H new ATOM 0 HD12 LEU A 8 1.050 10.561 -11.976 1.00 0.00 H new ATOM 0 HD13 LEU A 8 0.731 10.521 -10.225 1.00 0.00 H new ATOM 0 HD21 LEU A 8 3.707 11.014 -9.415 1.00 0.00 H new ATOM 0 HD22 LEU A 8 2.713 9.755 -8.643 1.00 0.00 H new ATOM 0 HD23 LEU A 8 4.256 9.321 -9.417 1.00 0.00 H new ATOM 85 N ARG A 9 1.794 5.362 -11.224 1.00 0.00 N ATOM 86 CA ARG A 9 1.215 4.055 -10.962 1.00 0.00 C ATOM 87 C ARG A 9 2.316 3.041 -10.644 1.00 0.00 C ATOM 88 O ARG A 9 2.173 2.230 -9.731 1.00 0.00 O ATOM 89 CB ARG A 9 0.408 3.560 -12.164 1.00 0.00 C ATOM 90 CG ARG A 9 -0.981 3.084 -11.733 1.00 0.00 C ATOM 91 CD ARG A 9 -1.545 2.067 -12.727 1.00 0.00 C ATOM 92 NE ARG A 9 -0.675 0.870 -12.775 1.00 0.00 N ATOM 93 CZ ARG A 9 0.304 0.689 -13.672 1.00 0.00 C ATOM 94 NH1 ARG A 9 0.543 1.625 -14.601 1.00 0.00 N ATOM 95 NH2 ARG A 9 1.043 -0.428 -13.640 1.00 0.00 N ATOM 0 H ARG A 9 1.381 5.861 -12.012 1.00 0.00 H new ATOM 0 HA ARG A 9 0.548 4.153 -10.106 1.00 0.00 H new ATOM 0 HB2 ARG A 9 0.311 4.362 -12.896 1.00 0.00 H new ATOM 0 HB3 ARG A 9 0.940 2.744 -12.653 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -0.924 2.635 -10.741 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -1.655 3.937 -11.659 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -2.555 1.781 -12.434 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -1.616 2.515 -13.718 1.00 0.00 H new ATOM 0 HE ARG A 9 -0.830 0.138 -12.082 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -0.020 2.475 -14.625 1.00 0.00 H new ATOM 0 HH12 ARG A 9 1.288 1.487 -15.284 1.00 0.00 H new ATOM 0 HH21 ARG A 9 0.860 -1.140 -12.933 1.00 0.00 H new ATOM 0 HH22 ARG A 9 1.788 -0.566 -14.323 1.00 0.00 H new ATOM 109 N GLU A 10 3.391 3.121 -11.415 1.00 0.00 N ATOM 110 CA GLU A 10 4.516 2.221 -11.226 1.00 0.00 C ATOM 111 C GLU A 10 5.203 2.504 -9.889 1.00 0.00 C ATOM 112 O GLU A 10 5.613 1.578 -9.190 1.00 0.00 O ATOM 113 CB GLU A 10 5.507 2.331 -12.386 1.00 0.00 C ATOM 114 CG GLU A 10 5.402 1.119 -13.314 1.00 0.00 C ATOM 115 CD GLU A 10 6.686 0.288 -13.277 1.00 0.00 C ATOM 116 OE1 GLU A 10 7.765 0.914 -13.187 1.00 0.00 O ATOM 117 OE2 GLU A 10 6.560 -0.954 -13.340 1.00 0.00 O ATOM 0 H GLU A 10 3.507 3.795 -12.172 1.00 0.00 H new ATOM 0 HA GLU A 10 4.139 1.198 -11.209 1.00 0.00 H new ATOM 0 HB2 GLU A 10 5.312 3.243 -12.950 1.00 0.00 H new ATOM 0 HB3 GLU A 10 6.522 2.408 -11.996 1.00 0.00 H new ATOM 0 HG2 GLU A 10 4.555 0.500 -13.016 1.00 0.00 H new ATOM 0 HG3 GLU A 10 5.210 1.453 -14.334 1.00 0.00 H new ATOM 124 N GLN A 11 5.308 3.786 -9.573 1.00 0.00 N ATOM 125 CA GLN A 11 5.939 4.202 -8.332 1.00 0.00 C ATOM 126 C GLN A 11 5.295 3.486 -7.143 1.00 0.00 C ATOM 127 O GLN A 11 5.978 2.801 -6.383 1.00 0.00 O ATOM 128 CB GLN A 11 5.867 5.721 -8.163 1.00 0.00 C ATOM 129 CG GLN A 11 6.663 6.434 -9.257 1.00 0.00 C ATOM 130 CD GLN A 11 6.471 7.949 -9.177 1.00 0.00 C ATOM 131 OE1 GLN A 11 6.185 8.618 -10.157 1.00 0.00 O ATOM 132 NE2 GLN A 11 6.642 8.453 -7.957 1.00 0.00 N ATOM 0 H GLN A 11 4.967 4.551 -10.155 1.00 0.00 H new ATOM 0 HA GLN A 11 6.992 3.924 -8.371 1.00 0.00 H new ATOM 0 HB2 GLN A 11 4.827 6.045 -8.196 1.00 0.00 H new ATOM 0 HB3 GLN A 11 6.257 6.000 -7.184 1.00 0.00 H new ATOM 0 HG2 GLN A 11 7.721 6.192 -9.157 1.00 0.00 H new ATOM 0 HG3 GLN A 11 6.345 6.075 -10.236 1.00 0.00 H new ATOM 0 HE21 GLN A 11 6.881 7.837 -7.180 1.00 0.00 H new ATOM 0 HE22 GLN A 11 6.534 9.455 -7.799 1.00 0.00 H new ATOM 141 N VAL A 12 3.989 3.669 -7.021 1.00 0.00 N ATOM 142 CA VAL A 12 3.245 3.049 -5.937 1.00 0.00 C ATOM 143 C VAL A 12 3.298 1.527 -6.093 1.00 0.00 C ATOM 144 O VAL A 12 3.703 0.819 -5.173 1.00 0.00 O ATOM 145 CB VAL A 12 1.817 3.597 -5.902 1.00 0.00 C ATOM 146 CG1 VAL A 12 1.021 2.979 -4.751 1.00 0.00 C ATOM 147 CG2 VAL A 12 1.818 5.124 -5.811 1.00 0.00 C ATOM 0 H VAL A 12 3.427 4.237 -7.654 1.00 0.00 H new ATOM 0 HA VAL A 12 3.696 3.293 -4.975 1.00 0.00 H new ATOM 0 HB VAL A 12 1.328 3.318 -6.835 1.00 0.00 H new ATOM 0 HG11 VAL A 12 0.010 3.385 -4.749 1.00 0.00 H new ATOM 0 HG12 VAL A 12 0.977 1.897 -4.879 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.508 3.213 -3.805 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.791 5.488 -5.788 1.00 0.00 H new ATOM 0 HG22 VAL A 12 2.333 5.434 -4.902 1.00 0.00 H new ATOM 0 HG23 VAL A 12 2.331 5.540 -6.678 1.00 0.00 H new ATOM 157 N GLN A 13 2.883 1.070 -7.265 1.00 0.00 N ATOM 158 CA GLN A 13 2.878 -0.354 -7.553 1.00 0.00 C ATOM 159 C GLN A 13 4.171 -1.001 -7.054 1.00 0.00 C ATOM 160 O GLN A 13 4.185 -2.182 -6.708 1.00 0.00 O ATOM 161 CB GLN A 13 2.678 -0.610 -9.049 1.00 0.00 C ATOM 162 CG GLN A 13 1.197 -0.807 -9.379 1.00 0.00 C ATOM 163 CD GLN A 13 1.001 -1.982 -10.339 1.00 0.00 C ATOM 164 OE1 GLN A 13 0.389 -1.863 -11.388 1.00 0.00 O ATOM 165 NE2 GLN A 13 1.552 -3.118 -9.923 1.00 0.00 N ATOM 0 H GLN A 13 2.548 1.660 -8.026 1.00 0.00 H new ATOM 0 HA GLN A 13 2.040 -0.809 -7.025 1.00 0.00 H new ATOM 0 HB2 GLN A 13 3.073 0.229 -9.621 1.00 0.00 H new ATOM 0 HB3 GLN A 13 3.242 -1.493 -9.349 1.00 0.00 H new ATOM 0 HG2 GLN A 13 0.637 -0.985 -8.461 1.00 0.00 H new ATOM 0 HG3 GLN A 13 0.796 0.103 -9.826 1.00 0.00 H new ATOM 0 HE21 GLN A 13 2.051 -3.147 -9.034 1.00 0.00 H new ATOM 0 HE22 GLN A 13 1.476 -3.960 -10.493 1.00 0.00 H new ATOM 174 N ASP A 14 5.226 -0.200 -7.033 1.00 0.00 N ATOM 175 CA ASP A 14 6.521 -0.680 -6.581 1.00 0.00 C ATOM 176 C ASP A 14 6.650 -0.447 -5.075 1.00 0.00 C ATOM 177 O ASP A 14 7.184 -1.290 -4.356 1.00 0.00 O ATOM 178 CB ASP A 14 7.659 0.071 -7.275 1.00 0.00 C ATOM 179 CG ASP A 14 8.899 -0.772 -7.580 1.00 0.00 C ATOM 180 OD1 ASP A 14 9.523 -1.238 -6.603 1.00 0.00 O ATOM 181 OD2 ASP A 14 9.194 -0.932 -8.784 1.00 0.00 O ATOM 0 H ASP A 14 5.211 0.778 -7.322 1.00 0.00 H new ATOM 0 HA ASP A 14 6.590 -1.741 -6.821 1.00 0.00 H new ATOM 0 HB2 ASP A 14 7.283 0.488 -8.209 1.00 0.00 H new ATOM 0 HB3 ASP A 14 7.955 0.912 -6.648 1.00 0.00 H new ATOM 186 N LEU A 15 6.152 0.702 -4.642 1.00 0.00 N ATOM 187 CA LEU A 15 6.205 1.058 -3.234 1.00 0.00 C ATOM 188 C LEU A 15 5.707 -0.122 -2.396 1.00 0.00 C ATOM 189 O LEU A 15 6.494 -0.785 -1.722 1.00 0.00 O ATOM 190 CB LEU A 15 5.441 2.358 -2.980 1.00 0.00 C ATOM 191 CG LEU A 15 5.212 2.727 -1.513 1.00 0.00 C ATOM 192 CD1 LEU A 15 6.523 3.136 -0.839 1.00 0.00 C ATOM 193 CD2 LEU A 15 4.138 3.809 -1.380 1.00 0.00 C ATOM 0 H LEU A 15 5.710 1.399 -5.242 1.00 0.00 H new ATOM 0 HA LEU A 15 7.233 1.256 -2.930 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.983 3.174 -3.459 1.00 0.00 H new ATOM 0 HB3 LEU A 15 4.471 2.288 -3.472 1.00 0.00 H new ATOM 0 HG LEU A 15 4.844 1.843 -0.993 1.00 0.00 H new ATOM 0 HD11 LEU A 15 6.332 3.393 0.203 1.00 0.00 H new ATOM 0 HD12 LEU A 15 7.229 2.307 -0.884 1.00 0.00 H new ATOM 0 HD13 LEU A 15 6.943 3.999 -1.355 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.995 4.052 -0.327 1.00 0.00 H new ATOM 0 HD22 LEU A 15 4.453 4.702 -1.919 1.00 0.00 H new ATOM 0 HD23 LEU A 15 3.200 3.444 -1.798 1.00 0.00 H new ATOM 205 N PHE A 16 4.403 -0.347 -2.465 1.00 0.00 N ATOM 206 CA PHE A 16 3.791 -1.434 -1.721 1.00 0.00 C ATOM 207 C PHE A 16 4.612 -2.719 -1.852 1.00 0.00 C ATOM 208 O PHE A 16 4.701 -3.502 -0.907 1.00 0.00 O ATOM 209 CB PHE A 16 2.405 -1.666 -2.326 1.00 0.00 C ATOM 210 CG PHE A 16 1.426 -0.512 -2.099 1.00 0.00 C ATOM 211 CD1 PHE A 16 1.444 0.174 -0.925 1.00 0.00 C ATOM 212 CD2 PHE A 16 0.538 -0.172 -3.072 1.00 0.00 C ATOM 213 CE1 PHE A 16 0.536 1.245 -0.715 1.00 0.00 C ATOM 214 CE2 PHE A 16 -0.371 0.899 -2.861 1.00 0.00 C ATOM 215 CZ PHE A 16 -0.352 1.585 -1.687 1.00 0.00 C ATOM 0 H PHE A 16 3.754 0.205 -3.025 1.00 0.00 H new ATOM 0 HA PHE A 16 3.736 -1.175 -0.664 1.00 0.00 H new ATOM 0 HB2 PHE A 16 2.511 -1.833 -3.398 1.00 0.00 H new ATOM 0 HB3 PHE A 16 1.982 -2.577 -1.901 1.00 0.00 H new ATOM 0 HD1 PHE A 16 2.149 -0.096 -0.153 1.00 0.00 H new ATOM 0 HD2 PHE A 16 0.524 -0.716 -4.005 1.00 0.00 H new ATOM 0 HE1 PHE A 16 0.551 1.790 0.217 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -1.077 1.168 -3.633 1.00 0.00 H new ATOM 0 HZ PHE A 16 -1.042 2.400 -1.527 1.00 0.00 H new ATOM 225 N ASN A 17 5.192 -2.895 -3.030 1.00 0.00 N ATOM 226 CA ASN A 17 6.003 -4.071 -3.296 1.00 0.00 C ATOM 227 C ASN A 17 7.286 -3.998 -2.466 1.00 0.00 C ATOM 228 O ASN A 17 7.534 -4.859 -1.624 1.00 0.00 O ATOM 229 CB ASN A 17 6.398 -4.144 -4.773 1.00 0.00 C ATOM 230 CG ASN A 17 5.458 -5.071 -5.546 1.00 0.00 C ATOM 231 OD1 ASN A 17 4.710 -5.851 -4.981 1.00 0.00 O ATOM 232 ND2 ASN A 17 5.538 -4.943 -6.867 1.00 0.00 N ATOM 0 H ASN A 17 5.117 -2.243 -3.811 1.00 0.00 H new ATOM 0 HA ASN A 17 5.417 -4.952 -3.035 1.00 0.00 H new ATOM 0 HB2 ASN A 17 6.371 -3.146 -5.210 1.00 0.00 H new ATOM 0 HB3 ASN A 17 7.423 -4.503 -4.862 1.00 0.00 H new ATOM 0 HD21 ASN A 17 4.951 -5.518 -7.472 1.00 0.00 H new ATOM 0 HD22 ASN A 17 6.186 -4.270 -7.276 1.00 0.00 H new ATOM 239 N LYS A 18 8.068 -2.963 -2.734 1.00 0.00 N ATOM 240 CA LYS A 18 9.320 -2.767 -2.022 1.00 0.00 C ATOM 241 C LYS A 18 9.058 -2.812 -0.516 1.00 0.00 C ATOM 242 O LYS A 18 9.664 -3.608 0.200 1.00 0.00 O ATOM 243 CB LYS A 18 10.006 -1.482 -2.489 1.00 0.00 C ATOM 244 CG LYS A 18 11.521 -1.674 -2.590 1.00 0.00 C ATOM 245 CD LYS A 18 12.264 -0.598 -1.797 1.00 0.00 C ATOM 246 CE LYS A 18 12.517 0.642 -2.658 1.00 0.00 C ATOM 247 NZ LYS A 18 13.179 1.699 -1.862 1.00 0.00 N ATOM 0 H LYS A 18 7.859 -2.251 -3.434 1.00 0.00 H new ATOM 0 HA LYS A 18 10.017 -3.574 -2.248 1.00 0.00 H new ATOM 0 HB2 LYS A 18 9.608 -1.185 -3.459 1.00 0.00 H new ATOM 0 HB3 LYS A 18 9.784 -0.673 -1.793 1.00 0.00 H new ATOM 0 HG2 LYS A 18 11.792 -2.660 -2.214 1.00 0.00 H new ATOM 0 HG3 LYS A 18 11.827 -1.637 -3.636 1.00 0.00 H new ATOM 0 HD2 LYS A 18 11.682 -0.322 -0.918 1.00 0.00 H new ATOM 0 HD3 LYS A 18 13.213 -0.996 -1.438 1.00 0.00 H new ATOM 0 HE2 LYS A 18 13.140 0.378 -3.512 1.00 0.00 H new ATOM 0 HE3 LYS A 18 11.573 1.015 -3.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 13.343 2.533 -2.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 12.571 1.963 -1.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 14.089 1.345 -1.504 1.00 0.00 H new ATOM 261 N LYS A 19 8.154 -1.947 -0.079 1.00 0.00 N ATOM 262 CA LYS A 19 7.804 -1.878 1.330 1.00 0.00 C ATOM 263 C LYS A 19 7.695 -3.296 1.894 1.00 0.00 C ATOM 264 O LYS A 19 8.198 -3.576 2.981 1.00 0.00 O ATOM 265 CB LYS A 19 6.540 -1.039 1.527 1.00 0.00 C ATOM 266 CG LYS A 19 6.880 0.450 1.625 1.00 0.00 C ATOM 267 CD LYS A 19 7.386 0.805 3.024 1.00 0.00 C ATOM 268 CE LYS A 19 8.094 2.162 3.022 1.00 0.00 C ATOM 269 NZ LYS A 19 8.644 2.461 4.364 1.00 0.00 N ATOM 0 H LYS A 19 7.654 -1.288 -0.676 1.00 0.00 H new ATOM 0 HA LYS A 19 8.587 -1.370 1.893 1.00 0.00 H new ATOM 0 HB2 LYS A 19 5.855 -1.205 0.695 1.00 0.00 H new ATOM 0 HB3 LYS A 19 6.025 -1.358 2.433 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.639 0.703 0.885 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.997 1.045 1.392 1.00 0.00 H new ATOM 0 HD2 LYS A 19 6.549 0.828 3.722 1.00 0.00 H new ATOM 0 HD3 LYS A 19 8.072 0.033 3.373 1.00 0.00 H new ATOM 0 HE2 LYS A 19 8.898 2.159 2.285 1.00 0.00 H new ATOM 0 HE3 LYS A 19 7.394 2.944 2.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 9.121 3.385 4.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 7.871 2.484 5.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 9.327 1.724 4.631 1.00 0.00 H new ATOM 283 N TYR A 20 7.035 -4.154 1.130 1.00 0.00 N ATOM 284 CA TYR A 20 6.854 -5.536 1.540 1.00 0.00 C ATOM 285 C TYR A 20 8.154 -6.116 2.101 1.00 0.00 C ATOM 286 O TYR A 20 8.175 -6.637 3.215 1.00 0.00 O ATOM 287 CB TYR A 20 6.471 -6.305 0.274 1.00 0.00 C ATOM 288 CG TYR A 20 5.650 -7.568 0.537 1.00 0.00 C ATOM 289 CD1 TYR A 20 4.505 -7.500 1.305 1.00 0.00 C ATOM 290 CD2 TYR A 20 6.054 -8.777 0.008 1.00 0.00 C ATOM 291 CE1 TYR A 20 3.732 -8.689 1.553 1.00 0.00 C ATOM 292 CE2 TYR A 20 5.281 -9.966 0.256 1.00 0.00 C ATOM 293 CZ TYR A 20 4.159 -9.864 1.016 1.00 0.00 C ATOM 294 OH TYR A 20 3.429 -10.987 1.251 1.00 0.00 O ATOM 0 H TYR A 20 6.619 -3.919 0.229 1.00 0.00 H new ATOM 0 HA TYR A 20 6.095 -5.609 2.319 1.00 0.00 H new ATOM 0 HB2 TYR A 20 5.903 -5.645 -0.382 1.00 0.00 H new ATOM 0 HB3 TYR A 20 7.380 -6.580 -0.261 1.00 0.00 H new ATOM 0 HD1 TYR A 20 4.189 -6.554 1.720 1.00 0.00 H new ATOM 0 HD2 TYR A 20 6.950 -8.831 -0.592 1.00 0.00 H new ATOM 0 HE1 TYR A 20 2.834 -8.649 2.151 1.00 0.00 H new ATOM 0 HE2 TYR A 20 5.586 -10.918 -0.153 1.00 0.00 H new ATOM 0 HH TYR A 20 3.851 -11.751 0.805 1.00 0.00 H new ATOM 304 N GLY A 21 9.206 -6.007 1.304 1.00 0.00 N ATOM 305 CA GLY A 21 10.506 -6.514 1.707 1.00 0.00 C ATOM 306 C GLY A 21 10.757 -6.258 3.195 1.00 0.00 C ATOM 307 O GLY A 21 11.424 -7.050 3.860 1.00 0.00 O ATOM 0 H GLY A 21 9.185 -5.575 0.380 1.00 0.00 H new ATOM 0 HA2 GLY A 21 10.562 -7.583 1.504 1.00 0.00 H new ATOM 0 HA3 GLY A 21 11.286 -6.036 1.115 1.00 0.00 H new ATOM 311 N GLU A 22 10.210 -5.151 3.673 1.00 0.00 N ATOM 312 CA GLU A 22 10.366 -4.781 5.069 1.00 0.00 C ATOM 313 C GLU A 22 9.449 -5.632 5.949 1.00 0.00 C ATOM 314 O GLU A 22 9.904 -6.253 6.908 1.00 0.00 O ATOM 315 CB GLU A 22 10.094 -3.290 5.275 1.00 0.00 C ATOM 316 CG GLU A 22 11.013 -2.438 4.397 1.00 0.00 C ATOM 317 CD GLU A 22 10.701 -0.949 4.558 1.00 0.00 C ATOM 318 OE1 GLU A 22 10.374 -0.559 5.700 1.00 0.00 O ATOM 319 OE2 GLU A 22 10.797 -0.235 3.537 1.00 0.00 O ATOM 0 H GLU A 22 9.658 -4.497 3.118 1.00 0.00 H new ATOM 0 HA GLU A 22 11.398 -4.972 5.362 1.00 0.00 H new ATOM 0 HB2 GLU A 22 9.053 -3.071 5.038 1.00 0.00 H new ATOM 0 HB3 GLU A 22 10.244 -3.031 6.323 1.00 0.00 H new ATOM 0 HG2 GLU A 22 12.053 -2.626 4.664 1.00 0.00 H new ATOM 0 HG3 GLU A 22 10.894 -2.727 3.353 1.00 0.00 H new ATOM 326 N ALA A 23 8.173 -5.633 5.592 1.00 0.00 N ATOM 327 CA ALA A 23 7.187 -6.398 6.337 1.00 0.00 C ATOM 328 C ALA A 23 7.695 -7.829 6.527 1.00 0.00 C ATOM 329 O ALA A 23 7.378 -8.477 7.523 1.00 0.00 O ATOM 330 CB ALA A 23 5.844 -6.349 5.607 1.00 0.00 C ATOM 0 H ALA A 23 7.799 -5.116 4.796 1.00 0.00 H new ATOM 0 HA ALA A 23 7.036 -5.967 7.327 1.00 0.00 H new ATOM 0 HB1 ALA A 23 5.105 -6.923 6.166 1.00 0.00 H new ATOM 0 HB2 ALA A 23 5.513 -5.314 5.524 1.00 0.00 H new ATOM 0 HB3 ALA A 23 5.956 -6.775 4.610 1.00 0.00 H new ATOM 336 N LEU A 24 8.476 -8.279 5.555 1.00 0.00 N ATOM 337 CA LEU A 24 9.031 -9.621 5.603 1.00 0.00 C ATOM 338 C LEU A 24 10.459 -9.559 6.149 1.00 0.00 C ATOM 339 O LEU A 24 10.955 -10.534 6.711 1.00 0.00 O ATOM 340 CB LEU A 24 8.926 -10.294 4.233 1.00 0.00 C ATOM 341 CG LEU A 24 7.513 -10.435 3.661 1.00 0.00 C ATOM 342 CD1 LEU A 24 7.555 -10.888 2.201 1.00 0.00 C ATOM 343 CD2 LEU A 24 6.662 -11.366 4.527 1.00 0.00 C ATOM 0 H LEU A 24 8.737 -7.738 4.730 1.00 0.00 H new ATOM 0 HA LEU A 24 8.455 -10.246 6.285 1.00 0.00 H new ATOM 0 HB2 LEU A 24 9.528 -9.726 3.524 1.00 0.00 H new ATOM 0 HB3 LEU A 24 9.369 -11.287 4.303 1.00 0.00 H new ATOM 0 HG LEU A 24 7.037 -9.454 3.679 1.00 0.00 H new ATOM 0 HD11 LEU A 24 6.538 -10.980 1.819 1.00 0.00 H new ATOM 0 HD12 LEU A 24 8.100 -10.154 1.608 1.00 0.00 H new ATOM 0 HD13 LEU A 24 8.057 -11.853 2.134 1.00 0.00 H new ATOM 0 HD21 LEU A 24 5.663 -11.449 4.099 1.00 0.00 H new ATOM 0 HD22 LEU A 24 7.124 -12.352 4.564 1.00 0.00 H new ATOM 0 HD23 LEU A 24 6.592 -10.961 5.536 1.00 0.00 H new ATOM 355 N GLY A 25 11.078 -8.402 5.966 1.00 0.00 N ATOM 356 CA GLY A 25 12.439 -8.200 6.433 1.00 0.00 C ATOM 357 C GLY A 25 13.447 -8.436 5.306 1.00 0.00 C ATOM 358 O GLY A 25 14.623 -8.103 5.441 1.00 0.00 O ATOM 0 H GLY A 25 10.662 -7.595 5.501 1.00 0.00 H new ATOM 0 HA2 GLY A 25 12.549 -7.186 6.817 1.00 0.00 H new ATOM 0 HA3 GLY A 25 12.648 -8.878 7.260 1.00 0.00 H new ATOM 362 N ILE A 26 12.949 -9.009 4.220 1.00 0.00 N ATOM 363 CA ILE A 26 13.790 -9.293 3.071 1.00 0.00 C ATOM 364 C ILE A 26 14.625 -8.055 2.736 1.00 0.00 C ATOM 365 O ILE A 26 14.336 -6.960 3.215 1.00 0.00 O ATOM 366 CB ILE A 26 12.946 -9.800 1.900 1.00 0.00 C ATOM 367 CG1 ILE A 26 12.665 -11.298 2.035 1.00 0.00 C ATOM 368 CG2 ILE A 26 13.603 -9.458 0.561 1.00 0.00 C ATOM 369 CD1 ILE A 26 11.373 -11.681 1.311 1.00 0.00 C ATOM 0 H ILE A 26 11.973 -9.284 4.112 1.00 0.00 H new ATOM 0 HA ILE A 26 14.489 -10.097 3.301 1.00 0.00 H new ATOM 0 HB ILE A 26 11.984 -9.288 1.926 1.00 0.00 H new ATOM 0 HG12 ILE A 26 13.499 -11.867 1.623 1.00 0.00 H new ATOM 0 HG13 ILE A 26 12.588 -11.564 3.089 1.00 0.00 H new ATOM 0 HG21 ILE A 26 12.982 -9.830 -0.254 1.00 0.00 H new ATOM 0 HG22 ILE A 26 13.708 -8.377 0.473 1.00 0.00 H new ATOM 0 HG23 ILE A 26 14.587 -9.924 0.509 1.00 0.00 H new ATOM 0 HD11 ILE A 26 11.197 -12.751 1.423 1.00 0.00 H new ATOM 0 HD12 ILE A 26 10.537 -11.129 1.741 1.00 0.00 H new ATOM 0 HD13 ILE A 26 11.463 -11.437 0.253 1.00 0.00 H new ATOM 381 N LYS A 27 15.643 -8.271 1.917 1.00 0.00 N ATOM 382 CA LYS A 27 16.522 -7.187 1.513 1.00 0.00 C ATOM 383 C LYS A 27 16.245 -6.830 0.051 1.00 0.00 C ATOM 384 O LYS A 27 16.368 -5.671 -0.343 1.00 0.00 O ATOM 385 CB LYS A 27 17.982 -7.547 1.792 1.00 0.00 C ATOM 386 CG LYS A 27 18.289 -7.473 3.289 1.00 0.00 C ATOM 387 CD LYS A 27 18.485 -6.023 3.737 1.00 0.00 C ATOM 388 CE LYS A 27 17.622 -5.705 4.959 1.00 0.00 C ATOM 389 NZ LYS A 27 18.314 -6.110 6.203 1.00 0.00 N ATOM 0 H LYS A 27 15.879 -9.181 1.522 1.00 0.00 H new ATOM 0 HA LYS A 27 16.321 -6.294 2.104 1.00 0.00 H new ATOM 0 HB2 LYS A 27 18.189 -8.552 1.424 1.00 0.00 H new ATOM 0 HB3 LYS A 27 18.638 -6.867 1.249 1.00 0.00 H new ATOM 0 HG2 LYS A 27 17.474 -7.925 3.854 1.00 0.00 H new ATOM 0 HG3 LYS A 27 19.187 -8.050 3.509 1.00 0.00 H new ATOM 0 HD2 LYS A 27 19.535 -5.851 3.974 1.00 0.00 H new ATOM 0 HD3 LYS A 27 18.228 -5.348 2.920 1.00 0.00 H new ATOM 0 HE2 LYS A 27 17.403 -4.638 4.989 1.00 0.00 H new ATOM 0 HE3 LYS A 27 16.667 -6.224 4.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 17.714 -5.887 7.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 18.501 -7.133 6.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 19.214 -5.595 6.283 1.00 0.00 H new ATOM 403 N TYR A 28 15.877 -7.847 -0.714 1.00 0.00 N ATOM 404 CA TYR A 28 15.582 -7.655 -2.123 1.00 0.00 C ATOM 405 C TYR A 28 14.122 -7.245 -2.327 1.00 0.00 C ATOM 406 O TYR A 28 13.299 -7.397 -1.426 1.00 0.00 O ATOM 407 CB TYR A 28 15.816 -9.012 -2.792 1.00 0.00 C ATOM 408 CG TYR A 28 15.220 -10.194 -2.025 1.00 0.00 C ATOM 409 CD1 TYR A 28 13.894 -10.533 -2.200 1.00 0.00 C ATOM 410 CD2 TYR A 28 16.010 -10.922 -1.157 1.00 0.00 C ATOM 411 CE1 TYR A 28 13.334 -11.646 -1.478 1.00 0.00 C ATOM 412 CE2 TYR A 28 15.450 -12.035 -0.435 1.00 0.00 C ATOM 413 CZ TYR A 28 14.139 -12.342 -0.631 1.00 0.00 C ATOM 414 OH TYR A 28 13.610 -13.393 0.050 1.00 0.00 O ATOM 0 H TYR A 28 15.776 -8.807 -0.384 1.00 0.00 H new ATOM 0 HA TYR A 28 16.209 -6.868 -2.542 1.00 0.00 H new ATOM 0 HB2 TYR A 28 15.389 -8.990 -3.795 1.00 0.00 H new ATOM 0 HB3 TYR A 28 16.889 -9.169 -2.906 1.00 0.00 H new ATOM 0 HD1 TYR A 28 13.276 -9.964 -2.878 1.00 0.00 H new ATOM 0 HD2 TYR A 28 17.048 -10.657 -1.020 1.00 0.00 H new ATOM 0 HE1 TYR A 28 12.298 -11.922 -1.606 1.00 0.00 H new ATOM 0 HE2 TYR A 28 16.057 -12.613 0.246 1.00 0.00 H new ATOM 0 HH TYR A 28 14.212 -13.645 0.782 1.00 0.00 H new ATOM 424 N PRO A 29 13.838 -6.719 -3.549 1.00 0.00 N ATOM 425 CA PRO A 29 12.492 -6.286 -3.882 1.00 0.00 C ATOM 426 C PRO A 29 11.580 -7.485 -4.148 1.00 0.00 C ATOM 427 O PRO A 29 11.791 -8.230 -5.104 1.00 0.00 O ATOM 428 CB PRO A 29 12.658 -5.385 -5.096 1.00 0.00 C ATOM 429 CG PRO A 29 14.023 -5.716 -5.677 1.00 0.00 C ATOM 430 CD PRO A 29 14.787 -6.524 -4.641 1.00 0.00 C ATOM 0 HA PRO A 29 12.009 -5.748 -3.066 1.00 0.00 H new ATOM 0 HB2 PRO A 29 11.869 -5.564 -5.826 1.00 0.00 H new ATOM 0 HB3 PRO A 29 12.598 -4.334 -4.813 1.00 0.00 H new ATOM 0 HG2 PRO A 29 13.917 -6.284 -6.601 1.00 0.00 H new ATOM 0 HG3 PRO A 29 14.564 -4.803 -5.924 1.00 0.00 H new ATOM 0 HD2 PRO A 29 15.121 -7.477 -5.050 1.00 0.00 H new ATOM 0 HD3 PRO A 29 15.677 -5.993 -4.302 1.00 0.00 H new ATOM 438 N VAL A 30 10.585 -7.634 -3.286 1.00 0.00 N ATOM 439 CA VAL A 30 9.640 -8.730 -3.416 1.00 0.00 C ATOM 440 C VAL A 30 8.328 -8.200 -3.998 1.00 0.00 C ATOM 441 O VAL A 30 8.069 -6.998 -3.962 1.00 0.00 O ATOM 442 CB VAL A 30 9.456 -9.426 -2.066 1.00 0.00 C ATOM 443 CG1 VAL A 30 8.714 -10.753 -2.229 1.00 0.00 C ATOM 444 CG2 VAL A 30 10.802 -9.633 -1.369 1.00 0.00 C ATOM 0 H VAL A 30 10.413 -7.014 -2.495 1.00 0.00 H new ATOM 0 HA VAL A 30 10.022 -9.483 -4.106 1.00 0.00 H new ATOM 0 HB VAL A 30 8.847 -8.778 -1.435 1.00 0.00 H new ATOM 0 HG11 VAL A 30 8.597 -11.227 -1.254 1.00 0.00 H new ATOM 0 HG12 VAL A 30 7.731 -10.569 -2.664 1.00 0.00 H new ATOM 0 HG13 VAL A 30 9.284 -11.410 -2.886 1.00 0.00 H new ATOM 0 HG21 VAL A 30 10.643 -10.129 -0.412 1.00 0.00 H new ATOM 0 HG22 VAL A 30 11.445 -10.251 -1.996 1.00 0.00 H new ATOM 0 HG23 VAL A 30 11.278 -8.667 -1.202 1.00 0.00 H new ATOM 454 N GLN A 31 7.535 -9.123 -4.522 1.00 0.00 N ATOM 455 CA GLN A 31 6.256 -8.764 -5.112 1.00 0.00 C ATOM 456 C GLN A 31 5.110 -9.179 -4.187 1.00 0.00 C ATOM 457 O GLN A 31 5.010 -10.343 -3.800 1.00 0.00 O ATOM 458 CB GLN A 31 6.096 -9.390 -6.498 1.00 0.00 C ATOM 459 CG GLN A 31 7.114 -8.811 -7.483 1.00 0.00 C ATOM 460 CD GLN A 31 6.872 -9.340 -8.898 1.00 0.00 C ATOM 461 OE1 GLN A 31 7.190 -10.470 -9.229 1.00 0.00 O ATOM 462 NE2 GLN A 31 6.292 -8.462 -9.711 1.00 0.00 N ATOM 0 H GLN A 31 7.753 -10.119 -4.550 1.00 0.00 H new ATOM 0 HA GLN A 31 6.225 -7.681 -5.234 1.00 0.00 H new ATOM 0 HB2 GLN A 31 6.225 -10.470 -6.430 1.00 0.00 H new ATOM 0 HB3 GLN A 31 5.086 -9.212 -6.867 1.00 0.00 H new ATOM 0 HG2 GLN A 31 7.048 -7.723 -7.482 1.00 0.00 H new ATOM 0 HG3 GLN A 31 8.123 -9.070 -7.162 1.00 0.00 H new ATOM 0 HE21 GLN A 31 6.052 -7.532 -9.369 1.00 0.00 H new ATOM 0 HE22 GLN A 31 6.087 -8.719 -10.677 1.00 0.00 H new ATOM 471 N VAL A 32 4.273 -8.205 -3.860 1.00 0.00 N ATOM 472 CA VAL A 32 3.138 -8.455 -2.988 1.00 0.00 C ATOM 473 C VAL A 32 2.164 -9.406 -3.686 1.00 0.00 C ATOM 474 O VAL A 32 1.904 -9.268 -4.880 1.00 0.00 O ATOM 475 CB VAL A 32 2.491 -7.130 -2.579 1.00 0.00 C ATOM 476 CG1 VAL A 32 1.207 -7.371 -1.782 1.00 0.00 C ATOM 477 CG2 VAL A 32 3.472 -6.262 -1.790 1.00 0.00 C ATOM 0 H VAL A 32 4.358 -7.241 -4.183 1.00 0.00 H new ATOM 0 HA VAL A 32 3.463 -8.941 -2.068 1.00 0.00 H new ATOM 0 HB VAL A 32 2.225 -6.591 -3.488 1.00 0.00 H new ATOM 0 HG11 VAL A 32 0.767 -6.414 -1.503 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.499 -7.932 -2.393 1.00 0.00 H new ATOM 0 HG13 VAL A 32 1.439 -7.939 -0.881 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.987 -5.326 -1.512 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.783 -6.791 -0.890 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.346 -6.049 -2.406 1.00 0.00 H new ATOM 487 N PRO A 33 1.637 -10.375 -2.891 1.00 0.00 N ATOM 488 CA PRO A 33 0.697 -11.349 -3.420 1.00 0.00 C ATOM 489 C PRO A 33 -0.683 -10.722 -3.628 1.00 0.00 C ATOM 490 O PRO A 33 -1.625 -11.033 -2.901 1.00 0.00 O ATOM 491 CB PRO A 33 0.689 -12.480 -2.404 1.00 0.00 C ATOM 492 CG PRO A 33 1.264 -11.895 -1.124 1.00 0.00 C ATOM 493 CD PRO A 33 1.922 -10.570 -1.472 1.00 0.00 C ATOM 0 HA PRO A 33 0.983 -11.718 -4.405 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -0.322 -12.853 -2.243 1.00 0.00 H new ATOM 0 HB3 PRO A 33 1.288 -13.322 -2.752 1.00 0.00 H new ATOM 0 HG2 PRO A 33 0.477 -11.748 -0.384 1.00 0.00 H new ATOM 0 HG3 PRO A 33 1.991 -12.578 -0.685 1.00 0.00 H new ATOM 0 HD2 PRO A 33 1.516 -9.756 -0.871 1.00 0.00 H new ATOM 0 HD3 PRO A 33 2.995 -10.600 -1.284 1.00 0.00 H new ATOM 501 N TYR A 34 -0.757 -9.850 -4.623 1.00 0.00 N ATOM 502 CA TYR A 34 -2.006 -9.177 -4.935 1.00 0.00 C ATOM 503 C TYR A 34 -3.134 -10.187 -5.153 1.00 0.00 C ATOM 504 O TYR A 34 -4.239 -10.009 -4.643 1.00 0.00 O ATOM 505 CB TYR A 34 -1.760 -8.416 -6.240 1.00 0.00 C ATOM 506 CG TYR A 34 -0.550 -7.481 -6.196 1.00 0.00 C ATOM 507 CD1 TYR A 34 -0.467 -6.506 -5.223 1.00 0.00 C ATOM 508 CD2 TYR A 34 0.458 -7.612 -7.129 1.00 0.00 C ATOM 509 CE1 TYR A 34 0.672 -5.625 -5.181 1.00 0.00 C ATOM 510 CE2 TYR A 34 1.597 -6.732 -7.088 1.00 0.00 C ATOM 511 CZ TYR A 34 1.648 -5.782 -6.116 1.00 0.00 C ATOM 512 OH TYR A 34 2.723 -4.950 -6.077 1.00 0.00 O ATOM 0 H TYR A 34 0.027 -9.594 -5.223 1.00 0.00 H new ATOM 0 HA TYR A 34 -2.303 -8.520 -4.117 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -1.622 -9.135 -7.047 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -2.649 -7.833 -6.482 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -1.256 -6.403 -4.493 1.00 0.00 H new ATOM 0 HD2 TYR A 34 0.393 -8.375 -7.891 1.00 0.00 H new ATOM 0 HE1 TYR A 34 0.749 -4.858 -4.425 1.00 0.00 H new ATOM 0 HE2 TYR A 34 2.393 -6.824 -7.813 1.00 0.00 H new ATOM 0 HH TYR A 34 3.229 -5.107 -5.252 1.00 0.00 H new ATOM 522 N LYS A 35 -2.817 -11.226 -5.912 1.00 0.00 N ATOM 523 CA LYS A 35 -3.790 -12.264 -6.204 1.00 0.00 C ATOM 524 C LYS A 35 -4.347 -12.819 -4.891 1.00 0.00 C ATOM 525 O LYS A 35 -5.534 -12.671 -4.605 1.00 0.00 O ATOM 526 CB LYS A 35 -3.177 -13.333 -7.112 1.00 0.00 C ATOM 527 CG LYS A 35 -3.897 -13.383 -8.462 1.00 0.00 C ATOM 528 CD LYS A 35 -2.939 -13.801 -9.579 1.00 0.00 C ATOM 529 CE LYS A 35 -3.109 -15.283 -9.921 1.00 0.00 C ATOM 530 NZ LYS A 35 -1.990 -15.750 -10.770 1.00 0.00 N ATOM 0 H LYS A 35 -1.900 -11.371 -6.334 1.00 0.00 H new ATOM 0 HA LYS A 35 -4.632 -11.851 -6.759 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -2.119 -13.121 -7.267 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -3.239 -14.307 -6.626 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -4.728 -14.086 -8.409 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -4.321 -12.405 -8.689 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -3.123 -13.196 -10.467 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -1.911 -13.611 -9.271 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -3.148 -15.872 -9.005 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -4.055 -15.437 -10.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -2.120 -16.757 -10.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -1.971 -15.200 -11.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -1.092 -15.621 -10.262 1.00 0.00 H new ATOM 544 N ARG A 36 -3.463 -13.446 -4.129 1.00 0.00 N ATOM 545 CA ARG A 36 -3.851 -14.024 -2.854 1.00 0.00 C ATOM 546 C ARG A 36 -4.545 -12.973 -1.984 1.00 0.00 C ATOM 547 O ARG A 36 -5.479 -13.289 -1.250 1.00 0.00 O ATOM 548 CB ARG A 36 -2.635 -14.573 -2.105 1.00 0.00 C ATOM 549 CG ARG A 36 -1.782 -15.456 -3.018 1.00 0.00 C ATOM 550 CD ARG A 36 -1.304 -16.708 -2.280 1.00 0.00 C ATOM 551 NE ARG A 36 0.017 -16.458 -1.662 1.00 0.00 N ATOM 552 CZ ARG A 36 0.820 -17.421 -1.189 1.00 0.00 C ATOM 553 NH1 ARG A 36 0.441 -18.704 -1.260 1.00 0.00 N ATOM 554 NH2 ARG A 36 2.002 -17.101 -0.644 1.00 0.00 N ATOM 0 H ARG A 36 -2.479 -13.566 -4.370 1.00 0.00 H new ATOM 0 HA ARG A 36 -4.539 -14.845 -3.058 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.033 -13.747 -1.726 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -2.965 -15.149 -1.241 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -2.361 -15.745 -3.895 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -0.922 -14.890 -3.377 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -2.027 -16.986 -1.513 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -1.237 -17.546 -2.974 1.00 0.00 H new ATOM 0 HE ARG A 36 0.337 -15.492 -1.592 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -0.459 -18.948 -1.674 1.00 0.00 H new ATOM 0 HH12 ARG A 36 1.052 -19.437 -0.900 1.00 0.00 H new ATOM 0 HH21 ARG A 36 2.291 -16.124 -0.589 1.00 0.00 H new ATOM 0 HH22 ARG A 36 2.613 -17.834 -0.284 1.00 0.00 H new ATOM 568 N ILE A 37 -4.060 -11.745 -2.097 1.00 0.00 N ATOM 569 CA ILE A 37 -4.622 -10.646 -1.330 1.00 0.00 C ATOM 570 C ILE A 37 -6.033 -10.344 -1.838 1.00 0.00 C ATOM 571 O ILE A 37 -6.873 -9.848 -1.090 1.00 0.00 O ATOM 572 CB ILE A 37 -3.685 -9.437 -1.361 1.00 0.00 C ATOM 573 CG1 ILE A 37 -2.561 -9.587 -0.333 1.00 0.00 C ATOM 574 CG2 ILE A 37 -4.464 -8.134 -1.173 1.00 0.00 C ATOM 575 CD1 ILE A 37 -1.518 -8.479 -0.495 1.00 0.00 C ATOM 0 H ILE A 37 -3.285 -11.487 -2.708 1.00 0.00 H new ATOM 0 HA ILE A 37 -4.714 -10.922 -0.280 1.00 0.00 H new ATOM 0 HB ILE A 37 -3.217 -9.393 -2.345 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -2.978 -9.555 0.674 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -2.084 -10.560 -0.450 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -3.774 -7.291 -1.199 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -5.196 -8.029 -1.974 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -4.978 -8.153 -0.212 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -0.731 -8.609 0.247 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -1.086 -8.529 -1.495 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -1.993 -7.508 -0.354 1.00 0.00 H new ATOM 587 N LYS A 38 -6.249 -10.655 -3.108 1.00 0.00 N ATOM 588 CA LYS A 38 -7.544 -10.423 -3.725 1.00 0.00 C ATOM 589 C LYS A 38 -8.533 -11.484 -3.239 1.00 0.00 C ATOM 590 O LYS A 38 -9.570 -11.154 -2.665 1.00 0.00 O ATOM 591 CB LYS A 38 -7.408 -10.361 -5.248 1.00 0.00 C ATOM 592 CG LYS A 38 -8.441 -9.407 -5.852 1.00 0.00 C ATOM 593 CD LYS A 38 -8.676 -9.719 -7.331 1.00 0.00 C ATOM 594 CE LYS A 38 -10.024 -10.412 -7.539 1.00 0.00 C ATOM 595 NZ LYS A 38 -10.641 -9.974 -8.811 1.00 0.00 N ATOM 0 H LYS A 38 -5.549 -11.066 -3.726 1.00 0.00 H new ATOM 0 HA LYS A 38 -7.942 -9.454 -3.423 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -6.404 -10.031 -5.514 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -7.538 -11.358 -5.669 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -9.381 -9.489 -5.306 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -8.098 -8.378 -5.744 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -8.645 -8.796 -7.910 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -7.874 -10.357 -7.703 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -9.886 -11.493 -7.548 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -10.690 -10.183 -6.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -11.555 -10.454 -8.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -10.790 -8.945 -8.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -10.012 -10.215 -9.603 1.00 0.00 H new ATOM 609 N SER A 39 -8.178 -12.736 -3.486 1.00 0.00 N ATOM 610 CA SER A 39 -9.022 -13.847 -3.080 1.00 0.00 C ATOM 611 C SER A 39 -9.236 -13.816 -1.566 1.00 0.00 C ATOM 612 O SER A 39 -10.344 -14.056 -1.087 1.00 0.00 O ATOM 613 CB SER A 39 -8.411 -15.185 -3.502 1.00 0.00 C ATOM 614 OG SER A 39 -9.072 -15.739 -4.637 1.00 0.00 O ATOM 0 H SER A 39 -7.317 -13.006 -3.962 1.00 0.00 H new ATOM 0 HA SER A 39 -9.986 -13.744 -3.579 1.00 0.00 H new ATOM 0 HB2 SER A 39 -7.354 -15.045 -3.730 1.00 0.00 H new ATOM 0 HB3 SER A 39 -8.467 -15.888 -2.671 1.00 0.00 H new ATOM 0 HG SER A 39 -8.652 -16.591 -4.876 1.00 0.00 H new ATOM 620 N ASN A 40 -8.160 -13.517 -0.854 1.00 0.00 N ATOM 621 CA ASN A 40 -8.216 -13.451 0.597 1.00 0.00 C ATOM 622 C ASN A 40 -7.823 -12.045 1.055 1.00 0.00 C ATOM 623 O ASN A 40 -6.677 -11.632 0.889 1.00 0.00 O ATOM 624 CB ASN A 40 -7.242 -14.445 1.232 1.00 0.00 C ATOM 625 CG ASN A 40 -7.598 -15.883 0.850 1.00 0.00 C ATOM 626 OD1 ASN A 40 -7.822 -16.209 -0.304 1.00 0.00 O ATOM 627 ND2 ASN A 40 -7.638 -16.722 1.881 1.00 0.00 N ATOM 0 H ASN A 40 -7.243 -13.318 -1.255 1.00 0.00 H new ATOM 0 HA ASN A 40 -9.232 -13.695 0.906 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -6.226 -14.220 0.909 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -7.263 -14.337 2.316 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -7.867 -17.705 1.730 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -7.440 -16.383 2.822 1.00 0.00 H new ATOM 634 N PRO A 41 -8.823 -11.330 1.637 1.00 0.00 N ATOM 635 CA PRO A 41 -8.593 -9.979 2.120 1.00 0.00 C ATOM 636 C PRO A 41 -7.794 -9.992 3.425 1.00 0.00 C ATOM 637 O PRO A 41 -7.244 -8.969 3.831 1.00 0.00 O ATOM 638 CB PRO A 41 -9.979 -9.376 2.278 1.00 0.00 C ATOM 639 CG PRO A 41 -10.942 -10.552 2.324 1.00 0.00 C ATOM 640 CD PRO A 41 -10.193 -11.787 1.851 1.00 0.00 C ATOM 0 HA PRO A 41 -7.991 -9.384 1.434 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -10.045 -8.781 3.189 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -10.213 -8.712 1.446 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -11.318 -10.698 3.337 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -11.806 -10.363 1.687 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -10.233 -12.583 2.594 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -10.626 -12.185 0.933 1.00 0.00 H new ATOM 648 N GLY A 42 -7.757 -11.161 4.047 1.00 0.00 N ATOM 649 CA GLY A 42 -7.035 -11.321 5.298 1.00 0.00 C ATOM 650 C GLY A 42 -5.607 -11.811 5.049 1.00 0.00 C ATOM 651 O GLY A 42 -5.133 -12.721 5.727 1.00 0.00 O ATOM 0 H GLY A 42 -8.215 -12.007 3.708 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -7.009 -10.371 5.831 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -7.560 -12.031 5.937 1.00 0.00 H new ATOM 655 N SER A 43 -4.963 -11.186 4.074 1.00 0.00 N ATOM 656 CA SER A 43 -3.599 -11.547 3.727 1.00 0.00 C ATOM 657 C SER A 43 -2.621 -10.530 4.319 1.00 0.00 C ATOM 658 O SER A 43 -2.023 -10.775 5.365 1.00 0.00 O ATOM 659 CB SER A 43 -3.422 -11.634 2.210 1.00 0.00 C ATOM 660 OG SER A 43 -3.331 -12.982 1.759 1.00 0.00 O ATOM 0 H SER A 43 -5.361 -10.432 3.514 1.00 0.00 H new ATOM 0 HA SER A 43 -3.388 -12.530 4.147 1.00 0.00 H new ATOM 0 HB2 SER A 43 -4.262 -11.143 1.718 1.00 0.00 H new ATOM 0 HB3 SER A 43 -2.522 -11.093 1.919 1.00 0.00 H new ATOM 0 HG SER A 43 -3.220 -12.994 0.785 1.00 0.00 H new ATOM 666 N VAL A 44 -2.489 -9.410 3.623 1.00 0.00 N ATOM 667 CA VAL A 44 -1.594 -8.355 4.067 1.00 0.00 C ATOM 668 C VAL A 44 -2.416 -7.123 4.450 1.00 0.00 C ATOM 669 O VAL A 44 -3.203 -6.623 3.647 1.00 0.00 O ATOM 670 CB VAL A 44 -0.550 -8.066 2.986 1.00 0.00 C ATOM 671 CG1 VAL A 44 0.121 -6.711 3.222 1.00 0.00 C ATOM 672 CG2 VAL A 44 0.487 -9.187 2.912 1.00 0.00 C ATOM 0 H VAL A 44 -2.987 -9.210 2.755 1.00 0.00 H new ATOM 0 HA VAL A 44 -1.045 -8.668 4.955 1.00 0.00 H new ATOM 0 HB VAL A 44 -1.064 -8.023 2.026 1.00 0.00 H new ATOM 0 HG11 VAL A 44 0.859 -6.529 2.440 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -0.632 -5.923 3.200 1.00 0.00 H new ATOM 0 HG13 VAL A 44 0.615 -6.714 4.194 1.00 0.00 H new ATOM 0 HG21 VAL A 44 1.217 -8.957 2.136 1.00 0.00 H new ATOM 0 HG22 VAL A 44 0.995 -9.277 3.872 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -0.010 -10.128 2.675 1.00 0.00 H new ATOM 682 N ILE A 45 -2.206 -6.668 5.676 1.00 0.00 N ATOM 683 CA ILE A 45 -2.917 -5.503 6.175 1.00 0.00 C ATOM 684 C ILE A 45 -2.094 -4.246 5.887 1.00 0.00 C ATOM 685 O ILE A 45 -0.889 -4.219 6.132 1.00 0.00 O ATOM 686 CB ILE A 45 -3.269 -5.683 7.653 1.00 0.00 C ATOM 687 CG1 ILE A 45 -3.606 -7.143 7.963 1.00 0.00 C ATOM 688 CG2 ILE A 45 -4.395 -4.734 8.068 1.00 0.00 C ATOM 689 CD1 ILE A 45 -3.861 -7.341 9.459 1.00 0.00 C ATOM 0 H ILE A 45 -1.553 -7.085 6.339 1.00 0.00 H new ATOM 0 HA ILE A 45 -3.869 -5.386 5.656 1.00 0.00 H new ATOM 0 HB ILE A 45 -2.393 -5.422 8.247 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -4.487 -7.445 7.397 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -2.786 -7.785 7.642 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -4.626 -4.882 9.123 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -4.080 -3.703 7.907 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -5.283 -4.939 7.470 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -4.098 -8.387 9.652 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -2.969 -7.062 10.020 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -4.697 -6.716 9.771 1.00 0.00 H new ATOM 701 N ILE A 46 -2.778 -3.236 5.370 1.00 0.00 N ATOM 702 CA ILE A 46 -2.125 -1.978 5.046 1.00 0.00 C ATOM 703 C ILE A 46 -2.722 -0.862 5.906 1.00 0.00 C ATOM 704 O ILE A 46 -3.938 -0.683 5.940 1.00 0.00 O ATOM 705 CB ILE A 46 -2.205 -1.706 3.543 1.00 0.00 C ATOM 706 CG1 ILE A 46 -1.190 -2.556 2.777 1.00 0.00 C ATOM 707 CG2 ILE A 46 -2.041 -0.213 3.247 1.00 0.00 C ATOM 708 CD1 ILE A 46 -1.292 -2.308 1.270 1.00 0.00 C ATOM 0 H ILE A 46 -3.777 -3.263 5.167 1.00 0.00 H new ATOM 0 HA ILE A 46 -1.062 -2.028 5.282 1.00 0.00 H new ATOM 0 HB ILE A 46 -3.196 -1.997 3.196 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -0.182 -2.322 3.120 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -1.362 -3.612 2.988 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.102 -0.046 2.172 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -2.833 0.346 3.746 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -1.072 0.126 3.612 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -0.559 -2.925 0.749 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -2.294 -2.566 0.926 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -1.096 -1.257 1.060 1.00 0.00 H new ATOM 720 N GLU A 47 -1.838 -0.141 6.579 1.00 0.00 N ATOM 721 CA GLU A 47 -2.262 0.952 7.437 1.00 0.00 C ATOM 722 C GLU A 47 -1.299 2.134 7.305 1.00 0.00 C ATOM 723 O GLU A 47 -0.194 1.984 6.786 1.00 0.00 O ATOM 724 CB GLU A 47 -2.373 0.496 8.893 1.00 0.00 C ATOM 725 CG GLU A 47 -3.786 -0.002 9.205 1.00 0.00 C ATOM 726 CD GLU A 47 -4.553 1.018 10.049 1.00 0.00 C ATOM 727 OE1 GLU A 47 -4.289 1.056 11.270 1.00 0.00 O ATOM 728 OE2 GLU A 47 -5.386 1.735 9.454 1.00 0.00 O ATOM 0 H GLU A 47 -0.830 -0.292 6.548 1.00 0.00 H new ATOM 0 HA GLU A 47 -3.252 1.276 7.116 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.653 -0.299 9.085 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.120 1.322 9.557 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -4.324 -0.188 8.275 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -3.732 -0.952 9.737 1.00 0.00 H new ATOM 735 N GLY A 48 -1.753 3.283 7.784 1.00 0.00 N ATOM 736 CA GLY A 48 -0.946 4.490 7.726 1.00 0.00 C ATOM 737 C GLY A 48 -1.246 5.290 6.458 1.00 0.00 C ATOM 738 O GLY A 48 -0.808 6.431 6.321 1.00 0.00 O ATOM 0 H GLY A 48 -2.670 3.404 8.214 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -1.143 5.106 8.604 1.00 0.00 H new ATOM 0 HA3 GLY A 48 0.111 4.226 7.752 1.00 0.00 H new ATOM 742 N LEU A 49 -1.992 4.660 5.562 1.00 0.00 N ATOM 743 CA LEU A 49 -2.356 5.299 4.309 1.00 0.00 C ATOM 744 C LEU A 49 -2.904 6.699 4.595 1.00 0.00 C ATOM 745 O LEU A 49 -3.246 7.014 5.734 1.00 0.00 O ATOM 746 CB LEU A 49 -3.318 4.413 3.515 1.00 0.00 C ATOM 747 CG LEU A 49 -2.672 3.425 2.541 1.00 0.00 C ATOM 748 CD1 LEU A 49 -3.706 2.441 1.991 1.00 0.00 C ATOM 749 CD2 LEU A 49 -1.931 4.162 1.424 1.00 0.00 C ATOM 0 H LEU A 49 -2.354 3.714 5.679 1.00 0.00 H new ATOM 0 HA LEU A 49 -1.477 5.423 3.676 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -3.928 3.850 4.221 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -3.994 5.057 2.953 1.00 0.00 H new ATOM 0 HG LEU A 49 -1.932 2.841 3.088 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -3.220 1.750 1.302 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -4.149 1.880 2.814 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -4.487 2.990 1.465 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.481 3.437 0.746 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -2.633 4.788 0.873 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -1.150 4.787 1.856 1.00 0.00 H new ATOM 761 N PRO A 50 -2.973 7.522 3.515 1.00 0.00 N ATOM 762 CA PRO A 50 -3.473 8.880 3.639 1.00 0.00 C ATOM 763 C PRO A 50 -4.996 8.892 3.788 1.00 0.00 C ATOM 764 O PRO A 50 -5.650 7.869 3.592 1.00 0.00 O ATOM 765 CB PRO A 50 -2.994 9.592 2.385 1.00 0.00 C ATOM 766 CG PRO A 50 -2.644 8.497 1.391 1.00 0.00 C ATOM 767 CD PRO A 50 -2.577 7.182 2.151 1.00 0.00 C ATOM 0 HA PRO A 50 -3.104 9.384 4.532 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -3.769 10.247 1.988 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -2.127 10.217 2.598 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -3.394 8.444 0.602 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -1.689 8.709 0.910 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -3.247 6.439 1.718 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -1.573 6.760 2.124 1.00 0.00 H new ATOM 775 N PRO A 51 -5.530 10.091 4.142 1.00 0.00 N ATOM 776 CA PRO A 51 -6.963 10.250 4.320 1.00 0.00 C ATOM 777 C PRO A 51 -7.682 10.290 2.970 1.00 0.00 C ATOM 778 O PRO A 51 -7.375 11.129 2.124 1.00 0.00 O ATOM 779 CB PRO A 51 -7.121 11.535 5.115 1.00 0.00 C ATOM 780 CG PRO A 51 -5.811 12.289 4.954 1.00 0.00 C ATOM 781 CD PRO A 51 -4.785 11.324 4.383 1.00 0.00 C ATOM 0 HA PRO A 51 -7.416 9.412 4.849 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -7.959 12.124 4.742 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -7.323 11.322 6.165 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -5.942 13.144 4.291 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -5.475 12.679 5.915 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -4.349 11.710 3.462 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -3.964 11.161 5.081 1.00 0.00 H new ATOM 789 N GLY A 52 -8.624 9.373 2.809 1.00 0.00 N ATOM 790 CA GLY A 52 -9.389 9.293 1.576 1.00 0.00 C ATOM 791 C GLY A 52 -8.861 8.175 0.675 1.00 0.00 C ATOM 792 O GLY A 52 -9.446 7.883 -0.366 1.00 0.00 O ATOM 0 H GLY A 52 -8.875 8.678 3.512 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -10.439 9.114 1.806 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -9.336 10.245 1.049 1.00 0.00 H new ATOM 796 N ILE A 53 -7.760 7.579 1.109 1.00 0.00 N ATOM 797 CA ILE A 53 -7.147 6.499 0.355 1.00 0.00 C ATOM 798 C ILE A 53 -7.115 5.234 1.216 1.00 0.00 C ATOM 799 O ILE A 53 -6.264 5.097 2.093 1.00 0.00 O ATOM 800 CB ILE A 53 -5.772 6.922 -0.166 1.00 0.00 C ATOM 801 CG1 ILE A 53 -5.844 8.285 -0.858 1.00 0.00 C ATOM 802 CG2 ILE A 53 -5.175 5.848 -1.076 1.00 0.00 C ATOM 803 CD1 ILE A 53 -4.477 8.690 -1.414 1.00 0.00 C ATOM 0 H ILE A 53 -7.277 7.824 1.973 1.00 0.00 H new ATOM 0 HA ILE A 53 -7.741 6.268 -0.529 1.00 0.00 H new ATOM 0 HB ILE A 53 -5.102 7.028 0.687 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -6.573 8.248 -1.667 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -6.191 9.038 -0.151 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -4.198 6.175 -1.432 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -5.066 4.918 -0.518 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -5.835 5.685 -1.928 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -4.556 9.662 -1.901 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -3.756 8.750 -0.599 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -4.144 7.947 -2.139 1.00 0.00 H new ATOM 815 N PRO A 54 -8.079 4.319 0.928 1.00 0.00 N ATOM 816 CA PRO A 54 -8.169 3.071 1.666 1.00 0.00 C ATOM 817 C PRO A 54 -7.069 2.098 1.237 1.00 0.00 C ATOM 818 O PRO A 54 -6.282 2.403 0.341 1.00 0.00 O ATOM 819 CB PRO A 54 -9.568 2.547 1.384 1.00 0.00 C ATOM 820 CG PRO A 54 -10.042 3.275 0.136 1.00 0.00 C ATOM 821 CD PRO A 54 -9.104 4.447 -0.103 1.00 0.00 C ATOM 0 HA PRO A 54 -8.016 3.205 2.737 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -9.557 1.469 1.226 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -10.234 2.739 2.225 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -10.040 2.603 -0.722 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -11.066 3.625 0.264 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -8.668 4.408 -1.101 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -9.630 5.398 -0.022 1.00 0.00 H new ATOM 829 N PHE A 55 -7.049 0.949 1.895 1.00 0.00 N ATOM 830 CA PHE A 55 -6.058 -0.070 1.592 1.00 0.00 C ATOM 831 C PHE A 55 -6.501 -0.931 0.407 1.00 0.00 C ATOM 832 O PHE A 55 -7.127 -1.974 0.593 1.00 0.00 O ATOM 833 CB PHE A 55 -5.934 -0.956 2.833 1.00 0.00 C ATOM 834 CG PHE A 55 -5.469 -2.383 2.535 1.00 0.00 C ATOM 835 CD1 PHE A 55 -4.644 -2.623 1.480 1.00 0.00 C ATOM 836 CD2 PHE A 55 -5.880 -3.411 3.324 1.00 0.00 C ATOM 837 CE1 PHE A 55 -4.213 -3.947 1.203 1.00 0.00 C ATOM 838 CE2 PHE A 55 -5.448 -4.735 3.048 1.00 0.00 C ATOM 839 CZ PHE A 55 -4.624 -4.975 1.993 1.00 0.00 C ATOM 0 H PHE A 55 -7.703 0.700 2.637 1.00 0.00 H new ATOM 0 HA PHE A 55 -5.110 0.399 1.331 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -5.233 -0.494 3.528 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -6.900 -0.997 3.335 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -4.317 -1.806 0.853 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -6.535 -3.220 4.161 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -3.559 -4.138 0.365 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -5.774 -5.551 3.676 1.00 0.00 H new ATOM 0 HZ PHE A 55 -4.296 -5.982 1.782 1.00 0.00 H new ATOM 849 N ARG A 56 -6.159 -0.463 -0.784 1.00 0.00 N ATOM 850 CA ARG A 56 -6.514 -1.177 -1.999 1.00 0.00 C ATOM 851 C ARG A 56 -5.441 -0.969 -3.070 1.00 0.00 C ATOM 852 O ARG A 56 -4.454 -0.273 -2.837 1.00 0.00 O ATOM 853 CB ARG A 56 -7.864 -0.705 -2.541 1.00 0.00 C ATOM 854 CG ARG A 56 -9.018 -1.296 -1.729 1.00 0.00 C ATOM 855 CD ARG A 56 -10.067 -1.928 -2.646 1.00 0.00 C ATOM 856 NE ARG A 56 -11.427 -1.581 -2.175 1.00 0.00 N ATOM 857 CZ ARG A 56 -11.927 -1.951 -0.988 1.00 0.00 C ATOM 858 NH1 ARG A 56 -11.184 -2.680 -0.145 1.00 0.00 N ATOM 859 NH2 ARG A 56 -13.172 -1.591 -0.644 1.00 0.00 N ATOM 0 H ARG A 56 -5.640 0.402 -0.934 1.00 0.00 H new ATOM 0 HA ARG A 56 -6.585 -2.236 -1.752 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -7.912 0.383 -2.509 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -7.963 -0.998 -3.586 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -8.634 -2.047 -1.038 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -9.480 -0.515 -1.126 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -9.927 -1.577 -3.668 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -9.944 -3.011 -2.661 1.00 0.00 H new ATOM 0 HE ARG A 56 -12.020 -1.026 -2.792 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -10.237 -2.954 -0.406 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -11.565 -2.961 0.758 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -13.738 -1.036 -1.286 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -13.553 -1.872 0.259 1.00 0.00 H new ATOM 873 N LYS A 57 -5.671 -1.584 -4.220 1.00 0.00 N ATOM 874 CA LYS A 57 -4.737 -1.475 -5.327 1.00 0.00 C ATOM 875 C LYS A 57 -4.686 -0.022 -5.804 1.00 0.00 C ATOM 876 O LYS A 57 -5.688 0.689 -5.749 1.00 0.00 O ATOM 877 CB LYS A 57 -5.095 -2.473 -6.431 1.00 0.00 C ATOM 878 CG LYS A 57 -4.686 -3.894 -6.039 1.00 0.00 C ATOM 879 CD LYS A 57 -4.072 -4.636 -7.228 1.00 0.00 C ATOM 880 CE LYS A 57 -4.938 -5.830 -7.636 1.00 0.00 C ATOM 881 NZ LYS A 57 -4.374 -6.494 -8.832 1.00 0.00 N ATOM 0 H LYS A 57 -6.491 -2.160 -4.409 1.00 0.00 H new ATOM 0 HA LYS A 57 -3.730 -1.741 -5.004 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -6.167 -2.439 -6.623 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -4.596 -2.190 -7.358 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -3.968 -3.857 -5.219 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -5.557 -4.440 -5.676 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -3.966 -3.954 -8.072 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -3.071 -4.980 -6.969 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -4.998 -6.541 -6.812 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -5.954 -5.496 -7.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -4.973 -7.302 -9.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -4.339 -5.817 -9.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -3.413 -6.830 -8.621 1.00 0.00 H new ATOM 895 N PRO A 58 -3.477 0.386 -6.274 1.00 0.00 N ATOM 896 CA PRO A 58 -3.282 1.742 -6.760 1.00 0.00 C ATOM 897 C PRO A 58 -3.919 1.926 -8.139 1.00 0.00 C ATOM 898 O PRO A 58 -4.072 3.052 -8.610 1.00 0.00 O ATOM 899 CB PRO A 58 -1.775 1.943 -6.770 1.00 0.00 C ATOM 900 CG PRO A 58 -1.168 0.550 -6.734 1.00 0.00 C ATOM 901 CD PRO A 58 -2.268 -0.428 -6.354 1.00 0.00 C ATOM 0 HA PRO A 58 -3.766 2.489 -6.131 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -1.459 2.484 -7.662 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -1.454 2.531 -5.910 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -0.747 0.292 -7.706 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -0.353 0.507 -6.012 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -2.371 -1.217 -7.099 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -2.054 -0.914 -5.402 1.00 0.00 H new ATOM 909 N CYS A 59 -4.272 0.803 -8.748 1.00 0.00 N ATOM 910 CA CYS A 59 -4.888 0.827 -10.063 1.00 0.00 C ATOM 911 C CYS A 59 -6.255 1.504 -9.941 1.00 0.00 C ATOM 912 O CYS A 59 -6.677 2.225 -10.844 1.00 0.00 O ATOM 913 CB CYS A 59 -4.998 -0.577 -10.662 1.00 0.00 C ATOM 914 SG CYS A 59 -5.879 -0.507 -12.264 1.00 0.00 S ATOM 0 H CYS A 59 -4.143 -0.129 -8.354 1.00 0.00 H new ATOM 0 HA CYS A 59 -4.262 1.396 -10.750 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -4.003 -1.000 -10.803 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -5.529 -1.234 -9.974 1.00 0.00 H new ATOM 0 HG CYS A 59 -6.499 0.631 -12.369 1.00 0.00 H new ATOM 920 N THR A 60 -6.908 1.247 -8.818 1.00 0.00 N ATOM 921 CA THR A 60 -8.218 1.823 -8.566 1.00 0.00 C ATOM 922 C THR A 60 -8.084 3.279 -8.116 1.00 0.00 C ATOM 923 O THR A 60 -9.084 3.956 -7.883 1.00 0.00 O ATOM 924 CB THR A 60 -8.937 0.936 -7.547 1.00 0.00 C ATOM 925 OG1 THR A 60 -8.066 0.928 -6.419 1.00 0.00 O ATOM 926 CG2 THR A 60 -8.994 -0.529 -7.984 1.00 0.00 C ATOM 0 H THR A 60 -6.555 0.648 -8.072 1.00 0.00 H new ATOM 0 HA THR A 60 -8.818 1.851 -9.475 1.00 0.00 H new ATOM 0 HB THR A 60 -9.950 1.308 -7.392 1.00 0.00 H new ATOM 0 HG1 THR A 60 -7.350 0.275 -6.563 1.00 0.00 H new ATOM 0 HG21 THR A 60 -9.514 -1.115 -7.226 1.00 0.00 H new ATOM 0 HG22 THR A 60 -9.528 -0.606 -8.931 1.00 0.00 H new ATOM 0 HG23 THR A 60 -7.981 -0.912 -8.106 1.00 0.00 H new ATOM 934 N PHE A 61 -6.839 3.718 -8.007 1.00 0.00 N ATOM 935 CA PHE A 61 -6.560 5.082 -7.589 1.00 0.00 C ATOM 936 C PHE A 61 -6.012 5.911 -8.752 1.00 0.00 C ATOM 937 O PHE A 61 -5.429 5.365 -9.688 1.00 0.00 O ATOM 938 CB PHE A 61 -5.499 5.005 -6.489 1.00 0.00 C ATOM 939 CG PHE A 61 -5.929 4.190 -5.267 1.00 0.00 C ATOM 940 CD1 PHE A 61 -7.245 3.915 -5.061 1.00 0.00 C ATOM 941 CD2 PHE A 61 -4.994 3.742 -4.386 1.00 0.00 C ATOM 942 CE1 PHE A 61 -7.643 3.159 -3.927 1.00 0.00 C ATOM 943 CE2 PHE A 61 -5.392 2.986 -3.252 1.00 0.00 C ATOM 944 CZ PHE A 61 -6.708 2.711 -3.046 1.00 0.00 C ATOM 0 H PHE A 61 -6.012 3.154 -8.201 1.00 0.00 H new ATOM 0 HA PHE A 61 -7.476 5.558 -7.239 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -4.591 4.567 -6.904 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -5.248 6.016 -6.169 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -7.987 4.272 -5.760 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -3.949 3.961 -4.549 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -8.688 2.940 -3.764 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -4.650 2.629 -2.553 1.00 0.00 H new ATOM 0 HZ PHE A 61 -7.011 2.137 -2.183 1.00 0.00 H new ATOM 954 N GLY A 62 -6.218 7.216 -8.656 1.00 0.00 N ATOM 955 CA GLY A 62 -5.752 8.126 -9.689 1.00 0.00 C ATOM 956 C GLY A 62 -4.452 8.814 -9.267 1.00 0.00 C ATOM 957 O GLY A 62 -4.106 8.824 -8.087 1.00 0.00 O ATOM 0 H GLY A 62 -6.702 7.665 -7.878 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -5.593 7.577 -10.617 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -6.517 8.877 -9.890 1.00 0.00 H new ATOM 961 N SER A 63 -3.768 9.371 -10.255 1.00 0.00 N ATOM 962 CA SER A 63 -2.514 10.060 -10.002 1.00 0.00 C ATOM 963 C SER A 63 -2.608 10.857 -8.699 1.00 0.00 C ATOM 964 O SER A 63 -1.680 10.846 -7.892 1.00 0.00 O ATOM 965 CB SER A 63 -2.148 10.985 -11.164 1.00 0.00 C ATOM 966 OG SER A 63 -3.208 11.881 -11.487 1.00 0.00 O ATOM 0 H SER A 63 -4.058 9.359 -11.233 1.00 0.00 H new ATOM 0 HA SER A 63 -1.727 9.312 -9.907 1.00 0.00 H new ATOM 0 HB2 SER A 63 -1.256 11.556 -10.906 1.00 0.00 H new ATOM 0 HB3 SER A 63 -1.900 10.386 -12.040 1.00 0.00 H new ATOM 0 HG SER A 63 -2.935 12.456 -12.232 1.00 0.00 H new ATOM 972 N GLN A 64 -3.739 11.528 -8.534 1.00 0.00 N ATOM 973 CA GLN A 64 -3.966 12.329 -7.344 1.00 0.00 C ATOM 974 C GLN A 64 -3.829 11.465 -6.088 1.00 0.00 C ATOM 975 O GLN A 64 -3.029 11.770 -5.205 1.00 0.00 O ATOM 976 CB GLN A 64 -5.336 13.009 -7.394 1.00 0.00 C ATOM 977 CG GLN A 64 -5.424 13.979 -8.573 1.00 0.00 C ATOM 978 CD GLN A 64 -6.295 13.405 -9.693 1.00 0.00 C ATOM 979 OE1 GLN A 64 -6.898 12.352 -9.567 1.00 0.00 O ATOM 980 NE2 GLN A 64 -6.326 14.153 -10.792 1.00 0.00 N ATOM 0 H GLN A 64 -4.507 11.533 -9.205 1.00 0.00 H new ATOM 0 HA GLN A 64 -3.209 13.112 -7.307 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -6.118 12.254 -7.480 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -5.513 13.546 -6.462 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -5.838 14.929 -8.236 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -4.424 14.185 -8.955 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -5.797 15.024 -10.831 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -6.879 13.855 -11.596 1.00 0.00 H new ATOM 989 N ASN A 65 -4.620 10.404 -6.050 1.00 0.00 N ATOM 990 CA ASN A 65 -4.597 9.493 -4.918 1.00 0.00 C ATOM 991 C ASN A 65 -3.186 8.925 -4.755 1.00 0.00 C ATOM 992 O ASN A 65 -2.712 8.739 -3.635 1.00 0.00 O ATOM 993 CB ASN A 65 -5.556 8.321 -5.133 1.00 0.00 C ATOM 994 CG ASN A 65 -6.902 8.583 -4.454 1.00 0.00 C ATOM 995 OD1 ASN A 65 -7.462 7.735 -3.779 1.00 0.00 O ATOM 996 ND2 ASN A 65 -7.390 9.801 -4.671 1.00 0.00 N ATOM 0 H ASN A 65 -5.282 10.154 -6.785 1.00 0.00 H new ATOM 0 HA ASN A 65 -4.902 10.050 -4.032 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -5.708 8.162 -6.201 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -5.115 7.408 -4.734 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -8.284 10.072 -4.262 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -6.870 10.464 -5.246 1.00 0.00 H new ATOM 1003 N LEU A 66 -2.553 8.664 -5.890 1.00 0.00 N ATOM 1004 CA LEU A 66 -1.205 8.121 -5.887 1.00 0.00 C ATOM 1005 C LEU A 66 -0.249 9.143 -5.269 1.00 0.00 C ATOM 1006 O LEU A 66 0.349 8.887 -4.226 1.00 0.00 O ATOM 1007 CB LEU A 66 -0.804 7.676 -7.295 1.00 0.00 C ATOM 1008 CG LEU A 66 -1.703 6.624 -7.948 1.00 0.00 C ATOM 1009 CD1 LEU A 66 -1.368 6.461 -9.432 1.00 0.00 C ATOM 1010 CD2 LEU A 66 -1.628 5.295 -7.194 1.00 0.00 C ATOM 0 H LEU A 66 -2.949 8.818 -6.817 1.00 0.00 H new ATOM 0 HA LEU A 66 -1.157 7.225 -5.268 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -0.780 8.555 -7.939 1.00 0.00 H new ATOM 0 HB3 LEU A 66 0.212 7.283 -7.255 1.00 0.00 H new ATOM 0 HG LEU A 66 -2.735 6.971 -7.887 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -2.021 5.708 -9.872 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -1.514 7.412 -9.945 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.330 6.147 -9.538 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.276 4.565 -7.679 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.601 4.930 -7.201 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.953 5.442 -6.164 1.00 0.00 H new ATOM 1022 N GLU A 67 -0.135 10.280 -5.940 1.00 0.00 N ATOM 1023 CA GLU A 67 0.739 11.342 -5.470 1.00 0.00 C ATOM 1024 C GLU A 67 0.697 11.426 -3.943 1.00 0.00 C ATOM 1025 O GLU A 67 1.698 11.756 -3.308 1.00 0.00 O ATOM 1026 CB GLU A 67 0.362 12.682 -6.104 1.00 0.00 C ATOM 1027 CG GLU A 67 1.367 13.078 -7.188 1.00 0.00 C ATOM 1028 CD GLU A 67 1.680 14.574 -7.126 1.00 0.00 C ATOM 1029 OE1 GLU A 67 0.763 15.360 -7.449 1.00 0.00 O ATOM 1030 OE2 GLU A 67 2.829 14.898 -6.757 1.00 0.00 O ATOM 0 H GLU A 67 -0.633 10.489 -6.805 1.00 0.00 H new ATOM 0 HA GLU A 67 1.760 11.108 -5.773 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -0.637 12.616 -6.536 1.00 0.00 H new ATOM 0 HB3 GLU A 67 0.327 13.455 -5.336 1.00 0.00 H new ATOM 0 HG2 GLU A 67 2.286 12.505 -7.063 1.00 0.00 H new ATOM 0 HG3 GLU A 67 0.966 12.827 -8.170 1.00 0.00 H new ATOM 1037 N ARG A 68 -0.472 11.123 -3.397 1.00 0.00 N ATOM 1038 CA ARG A 68 -0.657 11.160 -1.956 1.00 0.00 C ATOM 1039 C ARG A 68 0.039 9.966 -1.300 1.00 0.00 C ATOM 1040 O ARG A 68 0.849 10.138 -0.391 1.00 0.00 O ATOM 1041 CB ARG A 68 -2.143 11.140 -1.591 1.00 0.00 C ATOM 1042 CG ARG A 68 -2.864 12.362 -2.162 1.00 0.00 C ATOM 1043 CD ARG A 68 -4.382 12.177 -2.107 1.00 0.00 C ATOM 1044 NE ARG A 68 -4.945 12.950 -0.977 1.00 0.00 N ATOM 1045 CZ ARG A 68 -5.275 14.246 -1.044 1.00 0.00 C ATOM 1046 NH1 ARG A 68 -5.100 14.924 -2.186 1.00 0.00 N ATOM 1047 NH2 ARG A 68 -5.780 14.866 0.032 1.00 0.00 N ATOM 0 H ARG A 68 -1.300 10.851 -3.927 1.00 0.00 H new ATOM 0 HA ARG A 68 -0.217 12.087 -1.589 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -2.603 10.230 -1.975 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -2.255 11.121 -0.507 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -2.582 13.252 -1.599 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -2.551 12.525 -3.193 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -4.831 12.507 -3.044 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -4.624 11.120 -1.992 1.00 0.00 H new ATOM 0 HE ARG A 68 -5.091 12.465 -0.092 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -4.715 14.453 -3.005 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -5.352 15.911 -2.237 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -5.913 14.350 0.902 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -6.031 15.853 -0.019 1.00 0.00 H new ATOM 1061 N ILE A 69 -0.302 8.782 -1.788 1.00 0.00 N ATOM 1062 CA ILE A 69 0.280 7.560 -1.260 1.00 0.00 C ATOM 1063 C ILE A 69 1.800 7.715 -1.184 1.00 0.00 C ATOM 1064 O ILE A 69 2.384 7.614 -0.106 1.00 0.00 O ATOM 1065 CB ILE A 69 -0.174 6.352 -2.082 1.00 0.00 C ATOM 1066 CG1 ILE A 69 -1.634 6.002 -1.783 1.00 0.00 C ATOM 1067 CG2 ILE A 69 0.758 5.158 -1.864 1.00 0.00 C ATOM 1068 CD1 ILE A 69 -2.412 5.746 -3.075 1.00 0.00 C ATOM 0 H ILE A 69 -0.974 8.643 -2.543 1.00 0.00 H new ATOM 0 HA ILE A 69 -0.073 7.378 -0.245 1.00 0.00 H new ATOM 0 HB ILE A 69 -0.116 6.617 -3.138 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -1.677 5.118 -1.147 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -2.101 6.816 -1.228 1.00 0.00 H new ATOM 0 HG21 ILE A 69 0.412 4.313 -2.460 1.00 0.00 H new ATOM 0 HG22 ILE A 69 1.770 5.426 -2.167 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.756 4.883 -0.809 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -3.446 5.499 -2.834 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -2.388 6.640 -3.698 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -1.957 4.915 -3.615 1.00 0.00 H new ATOM 1080 N LEU A 70 2.397 7.959 -2.341 1.00 0.00 N ATOM 1081 CA LEU A 70 3.838 8.129 -2.419 1.00 0.00 C ATOM 1082 C LEU A 70 4.284 9.144 -1.365 1.00 0.00 C ATOM 1083 O LEU A 70 5.440 9.140 -0.944 1.00 0.00 O ATOM 1084 CB LEU A 70 4.258 8.496 -3.844 1.00 0.00 C ATOM 1085 CG LEU A 70 3.874 7.495 -4.935 1.00 0.00 C ATOM 1086 CD1 LEU A 70 4.105 8.086 -6.327 1.00 0.00 C ATOM 1087 CD2 LEU A 70 4.612 6.168 -4.746 1.00 0.00 C ATOM 0 H LEU A 70 1.909 8.043 -3.233 1.00 0.00 H new ATOM 0 HA LEU A 70 4.346 7.191 -2.194 1.00 0.00 H new ATOM 0 HB2 LEU A 70 3.819 9.462 -4.094 1.00 0.00 H new ATOM 0 HB3 LEU A 70 5.340 8.624 -3.861 1.00 0.00 H new ATOM 0 HG LEU A 70 2.808 7.286 -4.847 1.00 0.00 H new ATOM 0 HD11 LEU A 70 3.824 7.354 -7.084 1.00 0.00 H new ATOM 0 HD12 LEU A 70 3.498 8.983 -6.447 1.00 0.00 H new ATOM 0 HD13 LEU A 70 5.158 8.342 -6.443 1.00 0.00 H new ATOM 0 HD21 LEU A 70 4.321 5.474 -5.535 1.00 0.00 H new ATOM 0 HD22 LEU A 70 5.687 6.340 -4.793 1.00 0.00 H new ATOM 0 HD23 LEU A 70 4.354 5.743 -3.776 1.00 0.00 H new ATOM 1099 N ALA A 71 3.345 9.991 -0.969 1.00 0.00 N ATOM 1100 CA ALA A 71 3.627 11.010 0.027 1.00 0.00 C ATOM 1101 C ALA A 71 3.775 10.348 1.399 1.00 0.00 C ATOM 1102 O ALA A 71 4.805 10.494 2.055 1.00 0.00 O ATOM 1103 CB ALA A 71 2.520 12.066 0.005 1.00 0.00 C ATOM 0 H ALA A 71 2.387 9.992 -1.320 1.00 0.00 H new ATOM 0 HA ALA A 71 4.565 11.517 -0.197 1.00 0.00 H new ATOM 0 HB1 ALA A 71 2.732 12.831 0.752 1.00 0.00 H new ATOM 0 HB2 ALA A 71 2.476 12.526 -0.982 1.00 0.00 H new ATOM 0 HB3 ALA A 71 1.563 11.595 0.229 1.00 0.00 H new ATOM 1109 N VAL A 72 2.730 9.635 1.792 1.00 0.00 N ATOM 1110 CA VAL A 72 2.731 8.951 3.074 1.00 0.00 C ATOM 1111 C VAL A 72 3.268 7.531 2.889 1.00 0.00 C ATOM 1112 O VAL A 72 3.010 6.653 3.711 1.00 0.00 O ATOM 1113 CB VAL A 72 1.328 8.984 3.686 1.00 0.00 C ATOM 1114 CG1 VAL A 72 0.912 10.417 4.024 1.00 0.00 C ATOM 1115 CG2 VAL A 72 0.309 8.322 2.757 1.00 0.00 C ATOM 0 H VAL A 72 1.877 9.516 1.246 1.00 0.00 H new ATOM 0 HA VAL A 72 3.391 9.459 3.777 1.00 0.00 H new ATOM 0 HB VAL A 72 1.354 8.414 4.615 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -0.088 10.413 4.457 1.00 0.00 H new ATOM 0 HG12 VAL A 72 1.616 10.841 4.740 1.00 0.00 H new ATOM 0 HG13 VAL A 72 0.911 11.020 3.116 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -0.679 8.359 3.216 1.00 0.00 H new ATOM 0 HG22 VAL A 72 0.287 8.852 1.805 1.00 0.00 H new ATOM 0 HG23 VAL A 72 0.592 7.283 2.588 1.00 0.00 H new ATOM 1125 N ALA A 73 4.007 7.348 1.804 1.00 0.00 N ATOM 1126 CA ALA A 73 4.583 6.050 1.501 1.00 0.00 C ATOM 1127 C ALA A 73 5.306 5.516 2.739 1.00 0.00 C ATOM 1128 O ALA A 73 5.447 4.305 2.905 1.00 0.00 O ATOM 1129 CB ALA A 73 5.512 6.173 0.291 1.00 0.00 C ATOM 0 H ALA A 73 4.220 8.078 1.124 1.00 0.00 H new ATOM 0 HA ALA A 73 3.802 5.335 1.241 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.944 5.199 0.064 1.00 0.00 H new ATOM 0 HB2 ALA A 73 4.944 6.528 -0.569 1.00 0.00 H new ATOM 0 HB3 ALA A 73 6.310 6.881 0.516 1.00 0.00 H new ATOM 1135 N ASP A 74 5.745 6.445 3.575 1.00 0.00 N ATOM 1136 CA ASP A 74 6.450 6.082 4.793 1.00 0.00 C ATOM 1137 C ASP A 74 5.442 5.591 5.833 1.00 0.00 C ATOM 1138 O ASP A 74 5.697 4.614 6.536 1.00 0.00 O ATOM 1139 CB ASP A 74 7.188 7.286 5.381 1.00 0.00 C ATOM 1140 CG ASP A 74 8.618 7.004 5.847 1.00 0.00 C ATOM 1141 OD1 ASP A 74 9.263 6.144 5.210 1.00 0.00 O ATOM 1142 OD2 ASP A 74 9.033 7.655 6.831 1.00 0.00 O ATOM 0 H ASP A 74 5.626 7.448 3.433 1.00 0.00 H new ATOM 0 HA ASP A 74 7.171 5.302 4.546 1.00 0.00 H new ATOM 0 HB2 ASP A 74 7.215 8.077 4.632 1.00 0.00 H new ATOM 0 HB3 ASP A 74 6.615 7.667 6.226 1.00 0.00 H new ATOM 1147 N LYS A 75 4.319 6.290 5.899 1.00 0.00 N ATOM 1148 CA LYS A 75 3.271 5.937 6.842 1.00 0.00 C ATOM 1149 C LYS A 75 2.767 4.526 6.533 1.00 0.00 C ATOM 1150 O LYS A 75 2.683 3.684 7.426 1.00 0.00 O ATOM 1151 CB LYS A 75 2.169 6.998 6.840 1.00 0.00 C ATOM 1152 CG LYS A 75 2.759 8.402 6.992 1.00 0.00 C ATOM 1153 CD LYS A 75 2.324 9.039 8.313 1.00 0.00 C ATOM 1154 CE LYS A 75 2.693 10.524 8.353 1.00 0.00 C ATOM 1155 NZ LYS A 75 2.928 10.962 9.747 1.00 0.00 N ATOM 0 H LYS A 75 4.111 7.100 5.315 1.00 0.00 H new ATOM 0 HA LYS A 75 3.663 5.920 7.859 1.00 0.00 H new ATOM 0 HB2 LYS A 75 1.602 6.937 5.911 1.00 0.00 H new ATOM 0 HB3 LYS A 75 1.470 6.803 7.654 1.00 0.00 H new ATOM 0 HG2 LYS A 75 3.847 8.350 6.950 1.00 0.00 H new ATOM 0 HG3 LYS A 75 2.438 9.028 6.159 1.00 0.00 H new ATOM 0 HD2 LYS A 75 1.247 8.925 8.439 1.00 0.00 H new ATOM 0 HD3 LYS A 75 2.799 8.520 9.145 1.00 0.00 H new ATOM 0 HE2 LYS A 75 3.587 10.699 7.755 1.00 0.00 H new ATOM 0 HE3 LYS A 75 1.892 11.116 7.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 3.177 11.972 9.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 2.065 10.813 10.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 3.707 10.409 10.158 1.00 0.00 H new ATOM 1169 N ILE A 76 2.446 4.311 5.266 1.00 0.00 N ATOM 1170 CA ILE A 76 1.952 3.017 4.828 1.00 0.00 C ATOM 1171 C ILE A 76 2.753 1.911 5.518 1.00 0.00 C ATOM 1172 O ILE A 76 3.979 1.873 5.419 1.00 0.00 O ATOM 1173 CB ILE A 76 1.967 2.926 3.301 1.00 0.00 C ATOM 1174 CG1 ILE A 76 0.921 3.857 2.686 1.00 0.00 C ATOM 1175 CG2 ILE A 76 1.791 1.479 2.836 1.00 0.00 C ATOM 1176 CD1 ILE A 76 1.323 4.275 1.270 1.00 0.00 C ATOM 0 H ILE A 76 2.518 5.012 4.528 1.00 0.00 H new ATOM 0 HA ILE A 76 0.910 2.888 5.121 1.00 0.00 H new ATOM 0 HB ILE A 76 2.943 3.261 2.949 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.047 3.356 2.660 1.00 0.00 H new ATOM 0 HG13 ILE A 76 0.805 4.742 3.311 1.00 0.00 H new ATOM 0 HG21 ILE A 76 1.805 1.443 1.747 1.00 0.00 H new ATOM 0 HG22 ILE A 76 2.604 0.869 3.230 1.00 0.00 H new ATOM 0 HG23 ILE A 76 0.838 1.093 3.199 1.00 0.00 H new ATOM 0 HD11 ILE A 76 0.562 4.937 0.856 1.00 0.00 H new ATOM 0 HD12 ILE A 76 2.279 4.797 1.302 1.00 0.00 H new ATOM 0 HD13 ILE A 76 1.415 3.389 0.641 1.00 0.00 H new ATOM 1188 N LYS A 77 2.028 1.038 6.202 1.00 0.00 N ATOM 1189 CA LYS A 77 2.656 -0.066 6.908 1.00 0.00 C ATOM 1190 C LYS A 77 1.920 -1.365 6.573 1.00 0.00 C ATOM 1191 O LYS A 77 0.712 -1.469 6.780 1.00 0.00 O ATOM 1192 CB LYS A 77 2.730 0.230 8.407 1.00 0.00 C ATOM 1193 CG LYS A 77 3.361 -0.940 9.166 1.00 0.00 C ATOM 1194 CD LYS A 77 3.137 -0.799 10.673 1.00 0.00 C ATOM 1195 CE LYS A 77 4.317 -1.375 11.459 1.00 0.00 C ATOM 1196 NZ LYS A 77 4.644 -0.508 12.613 1.00 0.00 N ATOM 0 H LYS A 77 1.012 1.073 6.282 1.00 0.00 H new ATOM 0 HA LYS A 77 3.688 -0.190 6.580 1.00 0.00 H new ATOM 0 HB2 LYS A 77 3.315 1.135 8.574 1.00 0.00 H new ATOM 0 HB3 LYS A 77 1.729 0.421 8.793 1.00 0.00 H new ATOM 0 HG2 LYS A 77 2.931 -1.879 8.817 1.00 0.00 H new ATOM 0 HG3 LYS A 77 4.430 -0.981 8.956 1.00 0.00 H new ATOM 0 HD2 LYS A 77 3.004 0.252 10.928 1.00 0.00 H new ATOM 0 HD3 LYS A 77 2.220 -1.314 10.958 1.00 0.00 H new ATOM 0 HE2 LYS A 77 4.074 -2.379 11.808 1.00 0.00 H new ATOM 0 HE3 LYS A 77 5.186 -1.466 10.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 5.447 -0.913 13.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 4.896 0.442 12.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 3.819 -0.442 13.243 1.00 0.00 H new ATOM 1210 N PHE A 78 2.678 -2.323 6.060 1.00 0.00 N ATOM 1211 CA PHE A 78 2.113 -3.610 5.695 1.00 0.00 C ATOM 1212 C PHE A 78 2.285 -4.626 6.826 1.00 0.00 C ATOM 1213 O PHE A 78 3.224 -4.529 7.614 1.00 0.00 O ATOM 1214 CB PHE A 78 2.878 -4.101 4.464 1.00 0.00 C ATOM 1215 CG PHE A 78 2.358 -3.536 3.141 1.00 0.00 C ATOM 1216 CD1 PHE A 78 2.157 -2.197 3.006 1.00 0.00 C ATOM 1217 CD2 PHE A 78 2.097 -4.371 2.100 1.00 0.00 C ATOM 1218 CE1 PHE A 78 1.674 -1.672 1.778 1.00 0.00 C ATOM 1219 CE2 PHE A 78 1.614 -3.846 0.872 1.00 0.00 C ATOM 1220 CZ PHE A 78 1.412 -2.508 0.737 1.00 0.00 C ATOM 0 H PHE A 78 3.679 -2.233 5.889 1.00 0.00 H new ATOM 0 HA PHE A 78 1.046 -3.505 5.497 1.00 0.00 H new ATOM 0 HB2 PHE A 78 3.929 -3.835 4.572 1.00 0.00 H new ATOM 0 HB3 PHE A 78 2.827 -5.189 4.427 1.00 0.00 H new ATOM 0 HD1 PHE A 78 2.365 -1.534 3.833 1.00 0.00 H new ATOM 0 HD2 PHE A 78 2.257 -5.434 2.207 1.00 0.00 H new ATOM 0 HE1 PHE A 78 1.515 -0.609 1.670 1.00 0.00 H new ATOM 0 HE2 PHE A 78 1.407 -4.509 0.045 1.00 0.00 H new ATOM 0 HZ PHE A 78 1.044 -2.109 -0.197 1.00 0.00 H new ATOM 1230 N THR A 79 1.363 -5.576 6.870 1.00 0.00 N ATOM 1231 CA THR A 79 1.400 -6.608 7.892 1.00 0.00 C ATOM 1232 C THR A 79 1.379 -7.996 7.249 1.00 0.00 C ATOM 1233 O THR A 79 0.570 -8.260 6.360 1.00 0.00 O ATOM 1234 CB THR A 79 0.234 -6.366 8.852 1.00 0.00 C ATOM 1235 OG1 THR A 79 0.451 -5.042 9.333 1.00 0.00 O ATOM 1236 CG2 THR A 79 0.319 -7.236 10.108 1.00 0.00 C ATOM 0 H THR A 79 0.586 -5.653 6.214 1.00 0.00 H new ATOM 0 HA THR A 79 2.326 -6.563 8.465 1.00 0.00 H new ATOM 0 HB THR A 79 -0.707 -6.562 8.337 1.00 0.00 H new ATOM 0 HG1 THR A 79 -0.261 -4.802 9.962 1.00 0.00 H new ATOM 0 HG21 THR A 79 -0.532 -7.025 10.755 1.00 0.00 H new ATOM 0 HG22 THR A 79 0.306 -8.288 9.823 1.00 0.00 H new ATOM 0 HG23 THR A 79 1.244 -7.016 10.641 1.00 0.00 H new ATOM 1244 N VAL A 80 2.276 -8.847 7.723 1.00 0.00 N ATOM 1245 CA VAL A 80 2.371 -10.202 7.205 1.00 0.00 C ATOM 1246 C VAL A 80 2.084 -11.195 8.333 1.00 0.00 C ATOM 1247 O VAL A 80 2.944 -11.448 9.176 1.00 0.00 O ATOM 1248 CB VAL A 80 3.736 -10.418 6.551 1.00 0.00 C ATOM 1249 CG1 VAL A 80 3.941 -11.889 6.181 1.00 0.00 C ATOM 1250 CG2 VAL A 80 3.907 -9.516 5.327 1.00 0.00 C ATOM 0 H VAL A 80 2.944 -8.625 8.461 1.00 0.00 H new ATOM 0 HA VAL A 80 1.624 -10.367 6.428 1.00 0.00 H new ATOM 0 HB VAL A 80 4.502 -10.146 7.277 1.00 0.00 H new ATOM 0 HG11 VAL A 80 4.920 -12.015 5.718 1.00 0.00 H new ATOM 0 HG12 VAL A 80 3.884 -12.502 7.081 1.00 0.00 H new ATOM 0 HG13 VAL A 80 3.165 -12.200 5.481 1.00 0.00 H new ATOM 0 HG21 VAL A 80 4.886 -9.690 4.881 1.00 0.00 H new ATOM 0 HG22 VAL A 80 3.130 -9.743 4.597 1.00 0.00 H new ATOM 0 HG23 VAL A 80 3.826 -8.472 5.630 1.00 0.00 H new