USER MOD reduce.3.24.130724 H: found=0, std=0, add=632, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 631 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.308) USER MOD Single : A 17 ASN : amide:sc= -4.97! C(o=-5!,f=-7.3!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 TYR OH : rot 15:sc= -2.89! USER MOD Single : A 27 ASN : amide:sc= -0.123 X(o=-0.12,f=-0.55) USER MOD Single : A 34 TYR OH : rot 180:sc= -0.0255 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot -179:sc= -0.529 USER MOD Single : A 47 THR OG1 : rot -95:sc= 1.17 USER MOD Single : A 57 ASN : amide:sc= -0.397 K(o=-0.4,f=-4.1!) USER MOD Single : A 59 ASN : amide:sc= -0.994 K(o=-0.99,f=-4.9!) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 156:sc= 1.47 USER MOD Single : A 64 HIS : no HD1:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=-0.00077) USER MOD Single : A 78 MET CE :methyl 157:sc= -0.626 (180deg=-1.27) USER MOD ----------------------------------------------------------------- ATOM 66 N LEU A 8 1.962 8.085 -4.872 1.00 0.00 N ATOM 67 CA LEU A 8 1.092 7.363 -3.960 1.00 0.00 C ATOM 68 C LEU A 8 0.954 5.915 -4.435 1.00 0.00 C ATOM 69 O LEU A 8 1.170 4.982 -3.661 1.00 0.00 O ATOM 70 CB LEU A 8 -0.247 8.089 -3.808 1.00 0.00 C ATOM 71 CG LEU A 8 -0.173 9.526 -3.287 1.00 0.00 C ATOM 72 CD1 LEU A 8 -1.375 10.343 -3.765 1.00 0.00 C ATOM 73 CD2 LEU A 8 -0.033 9.551 -1.763 1.00 0.00 C ATOM 0 HA LEU A 8 1.528 7.333 -2.961 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -0.744 8.100 -4.778 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -0.877 7.510 -3.133 1.00 0.00 H new ATOM 0 HG LEU A 8 0.721 9.994 -3.700 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -1.299 11.360 -3.381 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.389 10.366 -4.855 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -2.294 9.885 -3.400 1.00 0.00 H new ATOM 0 HD21 LEU A 8 0.017 10.584 -1.419 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -0.894 9.060 -1.310 1.00 0.00 H new ATOM 0 HD23 LEU A 8 0.878 9.027 -1.473 1.00 0.00 H new ATOM 85 N ARG A 9 0.597 5.771 -5.702 1.00 0.00 N ATOM 86 CA ARG A 9 0.429 4.453 -6.288 1.00 0.00 C ATOM 87 C ARG A 9 1.509 3.500 -5.771 1.00 0.00 C ATOM 88 O ARG A 9 1.199 2.461 -5.189 1.00 0.00 O ATOM 89 CB ARG A 9 0.503 4.514 -7.815 1.00 0.00 C ATOM 90 CG ARG A 9 -0.265 3.352 -8.449 1.00 0.00 C ATOM 91 CD ARG A 9 -1.773 3.611 -8.421 1.00 0.00 C ATOM 92 NE ARG A 9 -2.112 4.723 -9.337 1.00 0.00 N ATOM 93 CZ ARG A 9 -2.130 4.617 -10.673 1.00 0.00 C ATOM 94 NH1 ARG A 9 -1.829 3.449 -11.256 1.00 0.00 N ATOM 95 NH2 ARG A 9 -2.450 5.679 -11.425 1.00 0.00 N ATOM 0 H ARG A 9 0.419 6.547 -6.340 1.00 0.00 H new ATOM 0 HA ARG A 9 -0.555 4.086 -5.998 1.00 0.00 H new ATOM 0 HB2 ARG A 9 0.091 5.461 -8.165 1.00 0.00 H new ATOM 0 HB3 ARG A 9 1.545 4.483 -8.134 1.00 0.00 H new ATOM 0 HG2 ARG A 9 0.065 3.212 -9.479 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -0.041 2.429 -7.915 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -2.311 2.710 -8.715 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -2.090 3.855 -7.407 1.00 0.00 H new ATOM 0 HE ARG A 9 -2.347 5.627 -8.926 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -1.586 2.641 -10.683 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -1.843 3.368 -12.273 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -2.680 6.568 -10.981 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -2.464 5.598 -12.442 1.00 0.00 H new ATOM 109 N GLU A 10 2.755 3.888 -6.001 1.00 0.00 N ATOM 110 CA GLU A 10 3.883 3.082 -5.566 1.00 0.00 C ATOM 111 C GLU A 10 3.800 2.824 -4.059 1.00 0.00 C ATOM 112 O GLU A 10 3.958 1.689 -3.610 1.00 0.00 O ATOM 113 CB GLU A 10 5.209 3.748 -5.936 1.00 0.00 C ATOM 114 CG GLU A 10 5.915 2.978 -7.054 1.00 0.00 C ATOM 115 CD GLU A 10 6.985 2.044 -6.485 1.00 0.00 C ATOM 116 OE1 GLU A 10 6.665 1.349 -5.497 1.00 0.00 O ATOM 117 OE2 GLU A 10 8.100 2.046 -7.052 1.00 0.00 O ATOM 0 H GLU A 10 3.008 4.750 -6.483 1.00 0.00 H new ATOM 0 HA GLU A 10 3.840 2.123 -6.083 1.00 0.00 H new ATOM 0 HB2 GLU A 10 5.028 4.775 -6.254 1.00 0.00 H new ATOM 0 HB3 GLU A 10 5.854 3.795 -5.058 1.00 0.00 H new ATOM 0 HG2 GLU A 10 5.185 2.399 -7.619 1.00 0.00 H new ATOM 0 HG3 GLU A 10 6.373 3.680 -7.751 1.00 0.00 H new ATOM 124 N GLN A 11 3.553 3.896 -3.321 1.00 0.00 N ATOM 125 CA GLN A 11 3.448 3.800 -1.874 1.00 0.00 C ATOM 126 C GLN A 11 2.426 2.729 -1.486 1.00 0.00 C ATOM 127 O GLN A 11 2.739 1.814 -0.727 1.00 0.00 O ATOM 128 CB GLN A 11 3.085 5.154 -1.260 1.00 0.00 C ATOM 129 CG GLN A 11 4.183 6.186 -1.523 1.00 0.00 C ATOM 130 CD GLN A 11 4.318 7.154 -0.345 1.00 0.00 C ATOM 131 OE1 GLN A 11 5.036 6.913 0.611 1.00 0.00 O ATOM 132 NE2 GLN A 11 3.588 8.259 -0.466 1.00 0.00 N ATOM 0 H GLN A 11 3.423 4.835 -3.697 1.00 0.00 H new ATOM 0 HA GLN A 11 4.420 3.507 -1.477 1.00 0.00 H new ATOM 0 HB2 GLN A 11 2.142 5.506 -1.678 1.00 0.00 H new ATOM 0 HB3 GLN A 11 2.935 5.042 -0.186 1.00 0.00 H new ATOM 0 HG2 GLN A 11 5.132 5.678 -1.691 1.00 0.00 H new ATOM 0 HG3 GLN A 11 3.954 6.743 -2.432 1.00 0.00 H new ATOM 0 HE21 GLN A 11 3.008 8.399 -1.293 1.00 0.00 H new ATOM 0 HE22 GLN A 11 3.608 8.967 0.268 1.00 0.00 H new ATOM 141 N VAL A 12 1.225 2.880 -2.025 1.00 0.00 N ATOM 142 CA VAL A 12 0.155 1.938 -1.744 1.00 0.00 C ATOM 143 C VAL A 12 0.639 0.519 -2.047 1.00 0.00 C ATOM 144 O VAL A 12 0.408 -0.399 -1.262 1.00 0.00 O ATOM 145 CB VAL A 12 -1.100 2.323 -2.531 1.00 0.00 C ATOM 146 CG1 VAL A 12 -2.181 1.248 -2.397 1.00 0.00 C ATOM 147 CG2 VAL A 12 -1.627 3.689 -2.087 1.00 0.00 C ATOM 0 H VAL A 12 0.969 3.641 -2.655 1.00 0.00 H new ATOM 0 HA VAL A 12 -0.116 1.970 -0.689 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.828 2.395 -3.584 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -3.062 1.545 -2.965 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.803 0.301 -2.783 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.449 1.130 -1.347 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -2.519 3.939 -2.661 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -1.876 3.656 -1.026 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.862 4.447 -2.256 1.00 0.00 H new ATOM 157 N LYS A 13 1.300 0.384 -3.186 1.00 0.00 N ATOM 158 CA LYS A 13 1.819 -0.908 -3.603 1.00 0.00 C ATOM 159 C LYS A 13 2.671 -1.497 -2.478 1.00 0.00 C ATOM 160 O LYS A 13 2.404 -2.600 -2.004 1.00 0.00 O ATOM 161 CB LYS A 13 2.559 -0.784 -4.936 1.00 0.00 C ATOM 162 CG LYS A 13 1.630 -1.092 -6.111 1.00 0.00 C ATOM 163 CD LYS A 13 2.314 -0.789 -7.445 1.00 0.00 C ATOM 164 CE LYS A 13 2.096 0.669 -7.856 1.00 0.00 C ATOM 165 NZ LYS A 13 3.114 1.087 -8.844 1.00 0.00 N ATOM 0 H LYS A 13 1.489 1.148 -3.834 1.00 0.00 H new ATOM 0 HA LYS A 13 1.002 -1.607 -3.784 1.00 0.00 H new ATOM 0 HB2 LYS A 13 2.961 0.224 -5.040 1.00 0.00 H new ATOM 0 HB3 LYS A 13 3.407 -1.468 -4.950 1.00 0.00 H new ATOM 0 HG2 LYS A 13 1.334 -2.141 -6.080 1.00 0.00 H new ATOM 0 HG3 LYS A 13 0.718 -0.501 -6.023 1.00 0.00 H new ATOM 0 HD2 LYS A 13 3.382 -0.992 -7.364 1.00 0.00 H new ATOM 0 HD3 LYS A 13 1.922 -1.451 -8.217 1.00 0.00 H new ATOM 0 HE2 LYS A 13 1.099 0.788 -8.280 1.00 0.00 H new ATOM 0 HE3 LYS A 13 2.148 1.312 -6.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 3.094 2.122 -8.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 4.056 0.790 -8.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 2.909 0.644 -9.762 1.00 0.00 H new ATOM 179 N GLU A 14 3.681 -0.735 -2.083 1.00 0.00 N ATOM 180 CA GLU A 14 4.575 -1.168 -1.022 1.00 0.00 C ATOM 181 C GLU A 14 3.790 -1.405 0.269 1.00 0.00 C ATOM 182 O GLU A 14 4.124 -2.296 1.049 1.00 0.00 O ATOM 183 CB GLU A 14 5.698 -0.153 -0.803 1.00 0.00 C ATOM 184 CG GLU A 14 6.736 -0.234 -1.923 1.00 0.00 C ATOM 185 CD GLU A 14 7.953 -1.052 -1.485 1.00 0.00 C ATOM 186 OE1 GLU A 14 7.729 -2.162 -0.957 1.00 0.00 O ATOM 187 OE2 GLU A 14 9.079 -0.549 -1.689 1.00 0.00 O ATOM 0 H GLU A 14 3.900 0.179 -2.479 1.00 0.00 H new ATOM 0 HA GLU A 14 5.035 -2.109 -1.322 1.00 0.00 H new ATOM 0 HB2 GLU A 14 5.281 0.853 -0.761 1.00 0.00 H new ATOM 0 HB3 GLU A 14 6.179 -0.339 0.157 1.00 0.00 H new ATOM 0 HG2 GLU A 14 6.288 -0.687 -2.807 1.00 0.00 H new ATOM 0 HG3 GLU A 14 7.051 0.771 -2.205 1.00 0.00 H new ATOM 194 N LEU A 15 2.760 -0.592 0.456 1.00 0.00 N ATOM 195 CA LEU A 15 1.925 -0.701 1.640 1.00 0.00 C ATOM 196 C LEU A 15 1.351 -2.118 1.725 1.00 0.00 C ATOM 197 O LEU A 15 1.711 -2.884 2.617 1.00 0.00 O ATOM 198 CB LEU A 15 0.859 0.395 1.648 1.00 0.00 C ATOM 199 CG LEU A 15 -0.456 0.048 2.350 1.00 0.00 C ATOM 200 CD1 LEU A 15 -0.266 -0.017 3.867 1.00 0.00 C ATOM 201 CD2 LEU A 15 -1.564 1.026 1.953 1.00 0.00 C ATOM 0 H LEU A 15 2.485 0.145 -0.193 1.00 0.00 H new ATOM 0 HA LEU A 15 2.519 -0.542 2.540 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.280 1.280 2.125 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.636 0.665 0.616 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.768 -0.943 2.021 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.215 -0.265 4.342 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.472 -0.782 4.109 1.00 0.00 H new ATOM 0 HD13 LEU A 15 0.081 0.950 4.232 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.488 0.757 2.466 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.274 2.038 2.235 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.721 0.980 0.875 1.00 0.00 H new ATOM 213 N PHE A 16 0.469 -2.422 0.784 1.00 0.00 N ATOM 214 CA PHE A 16 -0.157 -3.732 0.741 1.00 0.00 C ATOM 215 C PHE A 16 0.891 -4.844 0.821 1.00 0.00 C ATOM 216 O PHE A 16 0.701 -5.830 1.530 1.00 0.00 O ATOM 217 CB PHE A 16 -0.890 -3.833 -0.598 1.00 0.00 C ATOM 218 CG PHE A 16 -2.270 -3.171 -0.604 1.00 0.00 C ATOM 219 CD1 PHE A 16 -3.180 -3.487 0.356 1.00 0.00 C ATOM 220 CD2 PHE A 16 -2.586 -2.267 -1.569 1.00 0.00 C ATOM 221 CE1 PHE A 16 -4.460 -2.873 0.351 1.00 0.00 C ATOM 222 CE2 PHE A 16 -3.866 -1.653 -1.575 1.00 0.00 C ATOM 223 CZ PHE A 16 -4.776 -1.969 -0.615 1.00 0.00 C ATOM 0 H PHE A 16 0.173 -1.783 0.046 1.00 0.00 H new ATOM 0 HA PHE A 16 -0.835 -3.848 1.586 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -0.275 -3.375 -1.373 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -1.002 -4.885 -0.861 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -2.929 -4.205 1.122 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -1.863 -2.016 -2.331 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -5.182 -3.124 1.114 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -4.117 -0.935 -2.342 1.00 0.00 H new ATOM 0 HZ PHE A 16 -5.750 -1.502 -0.620 1.00 0.00 H new ATOM 233 N ASN A 17 1.974 -4.646 0.084 1.00 0.00 N ATOM 234 CA ASN A 17 3.052 -5.620 0.062 1.00 0.00 C ATOM 235 C ASN A 17 3.675 -5.716 1.457 1.00 0.00 C ATOM 236 O ASN A 17 3.978 -6.810 1.931 1.00 0.00 O ATOM 237 CB ASN A 17 4.150 -5.204 -0.918 1.00 0.00 C ATOM 238 CG ASN A 17 3.600 -5.093 -2.342 1.00 0.00 C ATOM 239 OD1 ASN A 17 2.412 -4.930 -2.565 1.00 0.00 O ATOM 240 ND2 ASN A 17 4.528 -5.192 -3.290 1.00 0.00 N ATOM 0 H ASN A 17 2.128 -3.826 -0.502 1.00 0.00 H new ATOM 0 HA ASN A 17 2.635 -6.578 -0.249 1.00 0.00 H new ATOM 0 HB2 ASN A 17 4.572 -4.247 -0.612 1.00 0.00 H new ATOM 0 HB3 ASN A 17 4.960 -5.933 -0.893 1.00 0.00 H new ATOM 0 HD21 ASN A 17 4.262 -5.132 -4.273 1.00 0.00 H new ATOM 0 HD22 ASN A 17 5.506 -5.328 -3.034 1.00 0.00 H new ATOM 247 N GLU A 18 3.847 -4.557 2.074 1.00 0.00 N ATOM 248 CA GLU A 18 4.428 -4.496 3.404 1.00 0.00 C ATOM 249 C GLU A 18 3.575 -5.292 4.393 1.00 0.00 C ATOM 250 O GLU A 18 4.100 -6.080 5.177 1.00 0.00 O ATOM 251 CB GLU A 18 4.593 -3.046 3.865 1.00 0.00 C ATOM 252 CG GLU A 18 5.720 -2.351 3.098 1.00 0.00 C ATOM 253 CD GLU A 18 6.985 -2.253 3.952 1.00 0.00 C ATOM 254 OE1 GLU A 18 7.686 -3.283 4.049 1.00 0.00 O ATOM 255 OE2 GLU A 18 7.223 -1.150 4.489 1.00 0.00 O ATOM 0 H GLU A 18 3.594 -3.652 1.677 1.00 0.00 H new ATOM 0 HA GLU A 18 5.420 -4.946 3.366 1.00 0.00 H new ATOM 0 HB2 GLU A 18 3.659 -2.505 3.715 1.00 0.00 H new ATOM 0 HB3 GLU A 18 4.807 -3.023 4.933 1.00 0.00 H new ATOM 0 HG2 GLU A 18 5.936 -2.903 2.183 1.00 0.00 H new ATOM 0 HG3 GLU A 18 5.400 -1.353 2.800 1.00 0.00 H new ATOM 262 N LYS A 19 2.272 -5.058 4.323 1.00 0.00 N ATOM 263 CA LYS A 19 1.341 -5.743 5.203 1.00 0.00 C ATOM 264 C LYS A 19 1.496 -7.255 5.024 1.00 0.00 C ATOM 265 O LYS A 19 1.703 -7.980 5.997 1.00 0.00 O ATOM 266 CB LYS A 19 -0.085 -5.239 4.970 1.00 0.00 C ATOM 267 CG LYS A 19 -0.210 -3.758 5.332 1.00 0.00 C ATOM 268 CD LYS A 19 -0.178 -3.560 6.849 1.00 0.00 C ATOM 269 CE LYS A 19 0.487 -2.233 7.216 1.00 0.00 C ATOM 270 NZ LYS A 19 1.304 -2.383 8.440 1.00 0.00 N ATOM 0 H LYS A 19 1.840 -4.404 3.671 1.00 0.00 H new ATOM 0 HA LYS A 19 1.567 -5.520 6.246 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -0.360 -5.386 3.926 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -0.783 -5.823 5.569 1.00 0.00 H new ATOM 0 HG2 LYS A 19 0.603 -3.197 4.871 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -1.141 -3.359 4.929 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -1.194 -3.583 7.244 1.00 0.00 H new ATOM 0 HD3 LYS A 19 0.364 -4.383 7.315 1.00 0.00 H new ATOM 0 HE2 LYS A 19 1.115 -1.894 6.392 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -0.275 -1.469 7.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 1.748 -1.472 8.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 0.696 -2.685 9.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 2.043 -3.097 8.279 1.00 0.00 H new ATOM 284 N TYR A 20 1.390 -7.685 3.776 1.00 0.00 N ATOM 285 CA TYR A 20 1.516 -9.097 3.459 1.00 0.00 C ATOM 286 C TYR A 20 2.739 -9.707 4.147 1.00 0.00 C ATOM 287 O TYR A 20 2.631 -10.732 4.818 1.00 0.00 O ATOM 288 CB TYR A 20 1.708 -9.173 1.942 1.00 0.00 C ATOM 289 CG TYR A 20 1.127 -10.436 1.304 1.00 0.00 C ATOM 290 CD1 TYR A 20 -0.186 -10.787 1.541 1.00 0.00 C ATOM 291 CD2 TYR A 20 1.917 -11.223 0.491 1.00 0.00 C ATOM 292 CE1 TYR A 20 -0.733 -11.977 0.940 1.00 0.00 C ATOM 293 CE2 TYR A 20 1.370 -12.413 -0.111 1.00 0.00 C ATOM 294 CZ TYR A 20 0.072 -12.730 0.144 1.00 0.00 C ATOM 295 OH TYR A 20 -0.444 -13.853 -0.424 1.00 0.00 O ATOM 0 H TYR A 20 1.218 -7.081 2.972 1.00 0.00 H new ATOM 0 HA TYR A 20 0.637 -9.646 3.798 1.00 0.00 H new ATOM 0 HB2 TYR A 20 1.244 -8.300 1.483 1.00 0.00 H new ATOM 0 HB3 TYR A 20 2.774 -9.122 1.718 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -0.804 -10.170 2.177 1.00 0.00 H new ATOM 0 HD2 TYR A 20 2.945 -10.947 0.306 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -1.759 -12.264 1.118 1.00 0.00 H new ATOM 0 HE2 TYR A 20 1.976 -13.038 -0.750 1.00 0.00 H new ATOM 0 HH TYR A 20 -1.422 -13.834 -0.358 1.00 0.00 H new ATOM 305 N GLY A 21 3.874 -9.051 3.957 1.00 0.00 N ATOM 306 CA GLY A 21 5.115 -9.515 4.550 1.00 0.00 C ATOM 307 C GLY A 21 4.952 -9.745 6.054 1.00 0.00 C ATOM 308 O GLY A 21 5.183 -10.848 6.546 1.00 0.00 O ATOM 0 H GLY A 21 3.960 -8.201 3.400 1.00 0.00 H new ATOM 0 HA2 GLY A 21 5.428 -10.442 4.069 1.00 0.00 H new ATOM 0 HA3 GLY A 21 5.903 -8.782 4.374 1.00 0.00 H new ATOM 312 N GLU A 22 4.555 -8.685 6.742 1.00 0.00 N ATOM 313 CA GLU A 22 4.357 -8.756 8.180 1.00 0.00 C ATOM 314 C GLU A 22 3.363 -9.867 8.525 1.00 0.00 C ATOM 315 O GLU A 22 3.568 -10.615 9.479 1.00 0.00 O ATOM 316 CB GLU A 22 3.891 -7.410 8.738 1.00 0.00 C ATOM 317 CG GLU A 22 4.793 -6.274 8.253 1.00 0.00 C ATOM 318 CD GLU A 22 5.006 -5.235 9.356 1.00 0.00 C ATOM 319 OE1 GLU A 22 5.728 -5.570 10.320 1.00 0.00 O ATOM 320 OE2 GLU A 22 4.445 -4.129 9.210 1.00 0.00 O ATOM 0 H GLU A 22 4.365 -7.771 6.330 1.00 0.00 H new ATOM 0 HA GLU A 22 5.313 -8.993 8.647 1.00 0.00 H new ATOM 0 HB2 GLU A 22 2.863 -7.220 8.429 1.00 0.00 H new ATOM 0 HB3 GLU A 22 3.895 -7.443 9.827 1.00 0.00 H new ATOM 0 HG2 GLU A 22 5.755 -6.678 7.938 1.00 0.00 H new ATOM 0 HG3 GLU A 22 4.346 -5.797 7.380 1.00 0.00 H new ATOM 327 N ALA A 23 2.306 -9.939 7.729 1.00 0.00 N ATOM 328 CA ALA A 23 1.280 -10.946 7.938 1.00 0.00 C ATOM 329 C ALA A 23 1.879 -12.334 7.709 1.00 0.00 C ATOM 330 O ALA A 23 1.497 -13.297 8.374 1.00 0.00 O ATOM 331 CB ALA A 23 0.093 -10.664 7.014 1.00 0.00 C ATOM 0 H ALA A 23 2.138 -9.316 6.939 1.00 0.00 H new ATOM 0 HA ALA A 23 0.912 -10.911 8.963 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -0.677 -11.419 7.170 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -0.315 -9.678 7.237 1.00 0.00 H new ATOM 0 HB3 ALA A 23 0.425 -10.694 5.976 1.00 0.00 H new ATOM 337 N LEU A 24 2.809 -12.395 6.767 1.00 0.00 N ATOM 338 CA LEU A 24 3.464 -13.651 6.442 1.00 0.00 C ATOM 339 C LEU A 24 4.420 -14.029 7.574 1.00 0.00 C ATOM 340 O LEU A 24 4.958 -15.135 7.595 1.00 0.00 O ATOM 341 CB LEU A 24 4.139 -13.564 5.071 1.00 0.00 C ATOM 342 CG LEU A 24 3.234 -13.813 3.862 1.00 0.00 C ATOM 343 CD1 LEU A 24 3.863 -13.258 2.583 1.00 0.00 C ATOM 344 CD2 LEU A 24 2.889 -15.298 3.732 1.00 0.00 C ATOM 0 H LEU A 24 3.124 -11.595 6.218 1.00 0.00 H new ATOM 0 HA LEU A 24 2.731 -14.454 6.361 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.584 -12.574 4.969 1.00 0.00 H new ATOM 0 HB3 LEU A 24 4.956 -14.285 5.043 1.00 0.00 H new ATOM 0 HG LEU A 24 2.298 -13.277 4.020 1.00 0.00 H new ATOM 0 HD11 LEU A 24 3.200 -13.448 1.739 1.00 0.00 H new ATOM 0 HD12 LEU A 24 4.016 -12.184 2.689 1.00 0.00 H new ATOM 0 HD13 LEU A 24 4.822 -13.746 2.408 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.245 -15.447 2.865 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.805 -15.875 3.607 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.370 -15.631 4.631 1.00 0.00 H new ATOM 356 N GLY A 25 4.602 -13.089 8.491 1.00 0.00 N ATOM 357 CA GLY A 25 5.485 -13.311 9.624 1.00 0.00 C ATOM 358 C GLY A 25 6.948 -13.099 9.229 1.00 0.00 C ATOM 359 O GLY A 25 7.855 -13.511 9.952 1.00 0.00 O ATOM 0 H GLY A 25 4.153 -12.173 8.472 1.00 0.00 H new ATOM 0 HA2 GLY A 25 5.221 -12.631 10.434 1.00 0.00 H new ATOM 0 HA3 GLY A 25 5.350 -14.324 10.002 1.00 0.00 H new ATOM 363 N LEU A 26 7.132 -12.458 8.085 1.00 0.00 N ATOM 364 CA LEU A 26 8.470 -12.188 7.585 1.00 0.00 C ATOM 365 C LEU A 26 8.907 -10.793 8.039 1.00 0.00 C ATOM 366 O LEU A 26 8.203 -10.137 8.806 1.00 0.00 O ATOM 367 CB LEU A 26 8.526 -12.387 6.070 1.00 0.00 C ATOM 368 CG LEU A 26 7.745 -13.583 5.521 1.00 0.00 C ATOM 369 CD1 LEU A 26 7.913 -13.698 4.004 1.00 0.00 C ATOM 370 CD2 LEU A 26 8.141 -14.874 6.241 1.00 0.00 C ATOM 0 H LEU A 26 6.377 -12.117 7.489 1.00 0.00 H new ATOM 0 HA LEU A 26 9.184 -12.898 8.003 1.00 0.00 H new ATOM 0 HB2 LEU A 26 8.151 -11.483 5.591 1.00 0.00 H new ATOM 0 HB3 LEU A 26 9.570 -12.494 5.776 1.00 0.00 H new ATOM 0 HG LEU A 26 6.685 -13.418 5.716 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.348 -14.556 3.639 1.00 0.00 H new ATOM 0 HD12 LEU A 26 7.543 -12.790 3.527 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.968 -13.830 3.764 1.00 0.00 H new ATOM 0 HD21 LEU A 26 7.571 -15.708 5.832 1.00 0.00 H new ATOM 0 HD22 LEU A 26 9.206 -15.058 6.099 1.00 0.00 H new ATOM 0 HD23 LEU A 26 7.928 -14.777 7.306 1.00 0.00 H new ATOM 382 N ASN A 27 10.064 -10.380 7.545 1.00 0.00 N ATOM 383 CA ASN A 27 10.603 -9.076 7.890 1.00 0.00 C ATOM 384 C ASN A 27 10.859 -8.280 6.608 1.00 0.00 C ATOM 385 O ASN A 27 11.670 -7.354 6.600 1.00 0.00 O ATOM 386 CB ASN A 27 11.930 -9.208 8.638 1.00 0.00 C ATOM 387 CG ASN A 27 11.840 -8.583 10.032 1.00 0.00 C ATOM 388 OD1 ASN A 27 11.189 -7.574 10.246 1.00 0.00 O ATOM 389 ND2 ASN A 27 12.526 -9.238 10.964 1.00 0.00 N ATOM 0 H ASN A 27 10.644 -10.926 6.908 1.00 0.00 H new ATOM 0 HA ASN A 27 9.879 -8.570 8.529 1.00 0.00 H new ATOM 0 HB2 ASN A 27 12.199 -10.261 8.725 1.00 0.00 H new ATOM 0 HB3 ASN A 27 12.722 -8.722 8.068 1.00 0.00 H new ATOM 0 HD21 ASN A 27 12.528 -8.901 11.927 1.00 0.00 H new ATOM 0 HD22 ASN A 27 13.050 -10.077 10.716 1.00 0.00 H new ATOM 396 N ARG A 28 10.152 -8.669 5.557 1.00 0.00 N ATOM 397 CA ARG A 28 10.293 -8.003 4.273 1.00 0.00 C ATOM 398 C ARG A 28 8.941 -7.927 3.563 1.00 0.00 C ATOM 399 O ARG A 28 8.075 -8.777 3.775 1.00 0.00 O ATOM 400 CB ARG A 28 11.291 -8.740 3.377 1.00 0.00 C ATOM 401 CG ARG A 28 11.037 -10.248 3.398 1.00 0.00 C ATOM 402 CD ARG A 28 11.908 -10.966 2.364 1.00 0.00 C ATOM 403 NE ARG A 28 11.904 -12.423 2.623 1.00 0.00 N ATOM 404 CZ ARG A 28 12.435 -13.333 1.796 1.00 0.00 C ATOM 405 NH1 ARG A 28 13.015 -12.943 0.653 1.00 0.00 N ATOM 406 NH2 ARG A 28 12.386 -14.635 2.112 1.00 0.00 N ATOM 0 H ARG A 28 9.480 -9.436 5.568 1.00 0.00 H new ATOM 0 HA ARG A 28 10.665 -6.996 4.461 1.00 0.00 H new ATOM 0 HB2 ARG A 28 11.211 -8.368 2.355 1.00 0.00 H new ATOM 0 HB3 ARG A 28 12.307 -8.534 3.713 1.00 0.00 H new ATOM 0 HG2 ARG A 28 11.247 -10.642 4.392 1.00 0.00 H new ATOM 0 HG3 ARG A 28 9.985 -10.446 3.193 1.00 0.00 H new ATOM 0 HD2 ARG A 28 11.534 -10.766 1.360 1.00 0.00 H new ATOM 0 HD3 ARG A 28 12.928 -10.583 2.407 1.00 0.00 H new ATOM 0 HE ARG A 28 11.470 -12.755 3.484 1.00 0.00 H new ATOM 0 HH11 ARG A 28 13.052 -11.953 0.412 1.00 0.00 H new ATOM 0 HH12 ARG A 28 13.419 -13.637 0.024 1.00 0.00 H new ATOM 0 HH21 ARG A 28 11.944 -14.932 2.982 1.00 0.00 H new ATOM 0 HH22 ARG A 28 12.790 -15.328 1.482 1.00 0.00 H new ATOM 420 N PRO A 29 8.795 -6.876 2.713 1.00 0.00 N ATOM 421 CA PRO A 29 7.562 -6.679 1.970 1.00 0.00 C ATOM 422 C PRO A 29 7.453 -7.674 0.813 1.00 0.00 C ATOM 423 O PRO A 29 8.409 -7.867 0.064 1.00 0.00 O ATOM 424 CB PRO A 29 7.609 -5.232 1.507 1.00 0.00 C ATOM 425 CG PRO A 29 9.065 -4.810 1.606 1.00 0.00 C ATOM 426 CD PRO A 29 9.798 -5.851 2.437 1.00 0.00 C ATOM 0 HA PRO A 29 6.673 -6.862 2.574 1.00 0.00 H new ATOM 0 HB2 PRO A 29 7.244 -5.137 0.484 1.00 0.00 H new ATOM 0 HB3 PRO A 29 6.976 -4.601 2.132 1.00 0.00 H new ATOM 0 HG2 PRO A 29 9.508 -4.733 0.613 1.00 0.00 H new ATOM 0 HG3 PRO A 29 9.147 -3.826 2.068 1.00 0.00 H new ATOM 0 HD2 PRO A 29 10.648 -6.264 1.894 1.00 0.00 H new ATOM 0 HD3 PRO A 29 10.188 -5.419 3.359 1.00 0.00 H new ATOM 434 N VAL A 30 6.280 -8.280 0.704 1.00 0.00 N ATOM 435 CA VAL A 30 6.034 -9.250 -0.349 1.00 0.00 C ATOM 436 C VAL A 30 4.779 -8.847 -1.125 1.00 0.00 C ATOM 437 O VAL A 30 3.812 -8.362 -0.540 1.00 0.00 O ATOM 438 CB VAL A 30 5.943 -10.657 0.247 1.00 0.00 C ATOM 439 CG1 VAL A 30 5.521 -11.675 -0.814 1.00 0.00 C ATOM 440 CG2 VAL A 30 7.264 -11.062 0.901 1.00 0.00 C ATOM 0 H VAL A 30 5.489 -8.118 1.328 1.00 0.00 H new ATOM 0 HA VAL A 30 6.863 -9.264 -1.057 1.00 0.00 H new ATOM 0 HB VAL A 30 5.177 -10.644 1.022 1.00 0.00 H new ATOM 0 HG11 VAL A 30 5.464 -12.666 -0.365 1.00 0.00 H new ATOM 0 HG12 VAL A 30 4.545 -11.401 -1.213 1.00 0.00 H new ATOM 0 HG13 VAL A 30 6.253 -11.684 -1.621 1.00 0.00 H new ATOM 0 HG21 VAL A 30 7.172 -12.066 1.316 1.00 0.00 H new ATOM 0 HG22 VAL A 30 8.058 -11.050 0.155 1.00 0.00 H new ATOM 0 HG23 VAL A 30 7.505 -10.360 1.699 1.00 0.00 H new ATOM 450 N LEU A 31 4.835 -9.062 -2.431 1.00 0.00 N ATOM 451 CA LEU A 31 3.715 -8.727 -3.294 1.00 0.00 C ATOM 452 C LEU A 31 2.476 -9.500 -2.836 1.00 0.00 C ATOM 453 O LEU A 31 2.592 -10.548 -2.203 1.00 0.00 O ATOM 454 CB LEU A 31 4.079 -8.963 -4.761 1.00 0.00 C ATOM 455 CG LEU A 31 4.775 -7.802 -5.473 1.00 0.00 C ATOM 456 CD1 LEU A 31 5.600 -8.303 -6.661 1.00 0.00 C ATOM 457 CD2 LEU A 31 3.767 -6.729 -5.889 1.00 0.00 C ATOM 0 H LEU A 31 5.639 -9.464 -2.913 1.00 0.00 H new ATOM 0 HA LEU A 31 3.478 -7.666 -3.216 1.00 0.00 H new ATOM 0 HB2 LEU A 31 4.726 -9.839 -4.818 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.167 -9.204 -5.307 1.00 0.00 H new ATOM 0 HG LEU A 31 5.468 -7.338 -4.771 1.00 0.00 H new ATOM 0 HD11 LEU A 31 6.084 -7.458 -7.150 1.00 0.00 H new ATOM 0 HD12 LEU A 31 6.359 -9.002 -6.308 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.945 -8.807 -7.372 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.289 -5.915 -6.393 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.032 -7.163 -6.567 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.261 -6.343 -5.004 1.00 0.00 H new ATOM 469 N VAL A 32 1.318 -8.951 -3.174 1.00 0.00 N ATOM 470 CA VAL A 32 0.058 -9.576 -2.807 1.00 0.00 C ATOM 471 C VAL A 32 -0.532 -10.282 -4.029 1.00 0.00 C ATOM 472 O VAL A 32 -0.779 -9.652 -5.055 1.00 0.00 O ATOM 473 CB VAL A 32 -0.886 -8.534 -2.205 1.00 0.00 C ATOM 474 CG1 VAL A 32 -2.283 -9.120 -1.988 1.00 0.00 C ATOM 475 CG2 VAL A 32 -0.320 -7.970 -0.900 1.00 0.00 C ATOM 0 H VAL A 32 1.226 -8.081 -3.698 1.00 0.00 H new ATOM 0 HA VAL A 32 0.217 -10.334 -2.040 1.00 0.00 H new ATOM 0 HB VAL A 32 -0.974 -7.712 -2.915 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -2.934 -8.359 -1.559 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -2.691 -9.451 -2.943 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -2.220 -9.969 -1.307 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -1.011 -7.231 -0.493 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.188 -8.779 -0.181 1.00 0.00 H new ATOM 0 HG23 VAL A 32 0.643 -7.498 -1.095 1.00 0.00 H new ATOM 485 N PRO A 33 -0.746 -11.617 -3.874 1.00 0.00 N ATOM 486 CA PRO A 33 -1.302 -12.415 -4.952 1.00 0.00 C ATOM 487 C PRO A 33 -2.802 -12.158 -5.107 1.00 0.00 C ATOM 488 O PRO A 33 -3.610 -13.078 -4.986 1.00 0.00 O ATOM 489 CB PRO A 33 -0.982 -13.854 -4.581 1.00 0.00 C ATOM 490 CG PRO A 33 -0.672 -13.842 -3.093 1.00 0.00 C ATOM 491 CD PRO A 33 -0.465 -12.396 -2.672 1.00 0.00 C ATOM 0 HA PRO A 33 -0.877 -12.164 -5.924 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -1.825 -14.510 -4.799 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -0.132 -14.225 -5.154 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -1.490 -14.291 -2.529 1.00 0.00 H new ATOM 0 HG3 PRO A 33 0.220 -14.432 -2.884 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -1.134 -12.121 -1.857 1.00 0.00 H new ATOM 0 HD3 PRO A 33 0.553 -12.228 -2.320 1.00 0.00 H new ATOM 499 N TYR A 34 -3.130 -10.902 -5.373 1.00 0.00 N ATOM 500 CA TYR A 34 -4.520 -10.512 -5.546 1.00 0.00 C ATOM 501 C TYR A 34 -5.271 -11.528 -6.408 1.00 0.00 C ATOM 502 O TYR A 34 -6.410 -11.880 -6.108 1.00 0.00 O ATOM 503 CB TYR A 34 -4.491 -9.166 -6.273 1.00 0.00 C ATOM 504 CG TYR A 34 -3.671 -8.089 -5.558 1.00 0.00 C ATOM 505 CD1 TYR A 34 -4.221 -7.389 -4.505 1.00 0.00 C ATOM 506 CD2 TYR A 34 -2.381 -7.820 -5.968 1.00 0.00 C ATOM 507 CE1 TYR A 34 -3.449 -6.376 -3.832 1.00 0.00 C ATOM 508 CE2 TYR A 34 -1.609 -6.808 -5.295 1.00 0.00 C ATOM 509 CZ TYR A 34 -2.181 -6.135 -4.261 1.00 0.00 C ATOM 510 OH TYR A 34 -1.452 -5.179 -3.626 1.00 0.00 O ATOM 0 H TYR A 34 -2.458 -10.141 -5.473 1.00 0.00 H new ATOM 0 HA TYR A 34 -5.027 -10.457 -4.583 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -4.084 -9.314 -7.273 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -5.513 -8.808 -6.395 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -5.231 -7.600 -4.185 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -1.951 -8.368 -6.793 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -3.867 -5.821 -3.006 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -0.598 -6.588 -5.605 1.00 0.00 H new ATOM 0 HH TYR A 34 -0.565 -5.116 -4.038 1.00 0.00 H new ATOM 520 N LYS A 35 -4.602 -11.971 -7.464 1.00 0.00 N ATOM 521 CA LYS A 35 -5.193 -12.939 -8.371 1.00 0.00 C ATOM 522 C LYS A 35 -5.760 -14.108 -7.564 1.00 0.00 C ATOM 523 O LYS A 35 -6.928 -14.461 -7.714 1.00 0.00 O ATOM 524 CB LYS A 35 -4.179 -13.362 -9.436 1.00 0.00 C ATOM 525 CG LYS A 35 -4.506 -12.723 -10.788 1.00 0.00 C ATOM 526 CD LYS A 35 -3.578 -13.253 -11.884 1.00 0.00 C ATOM 527 CE LYS A 35 -3.973 -12.697 -13.253 1.00 0.00 C ATOM 528 NZ LYS A 35 -3.344 -13.489 -14.334 1.00 0.00 N ATOM 0 H LYS A 35 -3.657 -11.677 -7.711 1.00 0.00 H new ATOM 0 HA LYS A 35 -6.026 -12.493 -8.915 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -3.176 -13.070 -9.125 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -4.179 -14.448 -9.533 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -5.543 -12.932 -11.052 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -4.408 -11.640 -10.716 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -2.548 -12.976 -11.659 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -3.618 -14.342 -11.904 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -5.057 -12.718 -13.362 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -3.665 -11.654 -13.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -3.622 -13.099 -15.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -2.309 -13.447 -14.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -3.658 -14.478 -14.268 1.00 0.00 H new ATOM 542 N LEU A 36 -4.906 -14.676 -6.725 1.00 0.00 N ATOM 543 CA LEU A 36 -5.308 -15.799 -5.894 1.00 0.00 C ATOM 544 C LEU A 36 -6.426 -15.353 -4.950 1.00 0.00 C ATOM 545 O LEU A 36 -7.561 -15.815 -5.064 1.00 0.00 O ATOM 546 CB LEU A 36 -4.097 -16.394 -5.175 1.00 0.00 C ATOM 547 CG LEU A 36 -3.097 -17.147 -6.056 1.00 0.00 C ATOM 548 CD1 LEU A 36 -1.847 -17.532 -5.261 1.00 0.00 C ATOM 549 CD2 LEU A 36 -3.753 -18.362 -6.715 1.00 0.00 C ATOM 0 H LEU A 36 -3.938 -14.380 -6.603 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.711 -16.604 -6.509 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.568 -15.587 -4.667 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -4.456 -17.075 -4.403 1.00 0.00 H new ATOM 0 HG LEU A 36 -2.777 -16.480 -6.856 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.153 -18.066 -5.910 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -1.367 -16.631 -4.879 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -2.130 -18.174 -4.427 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -3.021 -18.879 -7.335 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.119 -19.040 -5.944 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -4.587 -18.033 -7.335 1.00 0.00 H new ATOM 561 N ILE A 37 -6.068 -14.462 -4.037 1.00 0.00 N ATOM 562 CA ILE A 37 -7.026 -13.949 -3.074 1.00 0.00 C ATOM 563 C ILE A 37 -8.367 -13.714 -3.771 1.00 0.00 C ATOM 564 O ILE A 37 -9.421 -14.039 -3.226 1.00 0.00 O ATOM 565 CB ILE A 37 -6.470 -12.708 -2.373 1.00 0.00 C ATOM 566 CG1 ILE A 37 -5.182 -13.036 -1.614 1.00 0.00 C ATOM 567 CG2 ILE A 37 -7.525 -12.073 -1.465 1.00 0.00 C ATOM 568 CD1 ILE A 37 -4.119 -11.962 -1.848 1.00 0.00 C ATOM 0 H ILE A 37 -5.126 -14.082 -3.944 1.00 0.00 H new ATOM 0 HA ILE A 37 -7.201 -14.680 -2.284 1.00 0.00 H new ATOM 0 HB ILE A 37 -6.215 -11.971 -3.135 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -5.394 -13.116 -0.548 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -4.802 -14.005 -1.937 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -7.104 -11.193 -0.979 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -8.389 -11.780 -2.061 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -7.834 -12.793 -0.707 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -3.214 -12.220 -1.297 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -3.891 -11.901 -2.912 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -4.493 -10.999 -1.501 1.00 0.00 H new ATOM 580 N ARG A 38 -8.285 -13.148 -4.967 1.00 0.00 N ATOM 581 CA ARG A 38 -9.478 -12.864 -5.745 1.00 0.00 C ATOM 582 C ARG A 38 -10.310 -14.137 -5.923 1.00 0.00 C ATOM 583 O ARG A 38 -11.496 -14.158 -5.598 1.00 0.00 O ATOM 584 CB ARG A 38 -9.119 -12.301 -7.121 1.00 0.00 C ATOM 585 CG ARG A 38 -10.366 -11.799 -7.852 1.00 0.00 C ATOM 586 CD ARG A 38 -10.555 -10.295 -7.644 1.00 0.00 C ATOM 587 NE ARG A 38 -11.995 -9.958 -7.678 1.00 0.00 N ATOM 588 CZ ARG A 38 -12.736 -9.937 -8.795 1.00 0.00 C ATOM 589 NH1 ARG A 38 -12.177 -10.235 -9.975 1.00 0.00 N ATOM 590 NH2 ARG A 38 -14.037 -9.618 -8.730 1.00 0.00 N ATOM 0 H ARG A 38 -7.410 -12.879 -5.416 1.00 0.00 H new ATOM 0 HA ARG A 38 -10.058 -12.118 -5.202 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -8.406 -11.484 -7.009 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -8.630 -13.072 -7.717 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -10.279 -12.014 -8.917 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -11.244 -12.333 -7.489 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -10.125 -9.995 -6.689 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -10.025 -9.743 -8.420 1.00 0.00 H new ATOM 0 HE ARG A 38 -12.453 -9.727 -6.796 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -11.188 -10.478 -10.024 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -12.741 -10.219 -10.825 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -14.462 -9.391 -7.831 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -14.601 -9.602 -9.580 1.00 0.00 H new ATOM 604 N ASP A 39 -9.656 -15.166 -6.441 1.00 0.00 N ATOM 605 CA ASP A 39 -10.319 -16.438 -6.667 1.00 0.00 C ATOM 606 C ASP A 39 -10.621 -17.097 -5.319 1.00 0.00 C ATOM 607 O ASP A 39 -11.692 -17.670 -5.130 1.00 0.00 O ATOM 608 CB ASP A 39 -9.429 -17.389 -7.470 1.00 0.00 C ATOM 609 CG ASP A 39 -10.018 -18.781 -7.704 1.00 0.00 C ATOM 610 OD1 ASP A 39 -11.186 -18.838 -8.145 1.00 0.00 O ATOM 611 OD2 ASP A 39 -9.285 -19.759 -7.437 1.00 0.00 O ATOM 0 H ASP A 39 -8.673 -15.144 -6.711 1.00 0.00 H new ATOM 0 HA ASP A 39 -11.236 -16.246 -7.225 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -9.216 -16.934 -8.437 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -8.476 -17.496 -6.951 1.00 0.00 H new ATOM 616 N SER A 40 -9.655 -16.995 -4.418 1.00 0.00 N ATOM 617 CA SER A 40 -9.804 -17.574 -3.093 1.00 0.00 C ATOM 618 C SER A 40 -9.972 -16.465 -2.053 1.00 0.00 C ATOM 619 O SER A 40 -8.999 -15.825 -1.659 1.00 0.00 O ATOM 620 CB SER A 40 -8.604 -18.456 -2.740 1.00 0.00 C ATOM 621 OG SER A 40 -8.672 -18.938 -1.401 1.00 0.00 O ATOM 0 H SER A 40 -8.767 -16.520 -4.579 1.00 0.00 H new ATOM 0 HA SER A 40 -10.695 -18.202 -3.092 1.00 0.00 H new ATOM 0 HB2 SER A 40 -8.560 -19.301 -3.428 1.00 0.00 H new ATOM 0 HB3 SER A 40 -7.684 -17.887 -2.874 1.00 0.00 H new ATOM 0 HG SER A 40 -7.882 -19.485 -1.210 1.00 0.00 H new ATOM 627 N PRO A 41 -11.249 -16.267 -1.626 1.00 0.00 N ATOM 628 CA PRO A 41 -11.557 -15.247 -0.639 1.00 0.00 C ATOM 629 C PRO A 41 -11.121 -15.686 0.760 1.00 0.00 C ATOM 630 O PRO A 41 -10.897 -14.853 1.636 1.00 0.00 O ATOM 631 CB PRO A 41 -13.057 -15.030 -0.753 1.00 0.00 C ATOM 632 CG PRO A 41 -13.602 -16.258 -1.465 1.00 0.00 C ATOM 633 CD PRO A 41 -12.426 -17.006 -2.070 1.00 0.00 C ATOM 0 HA PRO A 41 -11.018 -14.316 -0.815 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -13.511 -14.915 0.231 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -13.279 -14.122 -1.314 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -14.142 -16.897 -0.766 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -14.309 -15.967 -2.241 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -12.396 -18.040 -1.728 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -12.490 -17.032 -3.158 1.00 0.00 H new ATOM 641 N ASP A 42 -11.012 -16.998 0.927 1.00 0.00 N ATOM 642 CA ASP A 42 -10.607 -17.558 2.203 1.00 0.00 C ATOM 643 C ASP A 42 -9.121 -17.917 2.150 1.00 0.00 C ATOM 644 O ASP A 42 -8.741 -19.050 2.442 1.00 0.00 O ATOM 645 CB ASP A 42 -11.391 -18.835 2.518 1.00 0.00 C ATOM 646 CG ASP A 42 -12.819 -18.610 3.018 1.00 0.00 C ATOM 647 OD1 ASP A 42 -12.956 -17.918 4.050 1.00 0.00 O ATOM 648 OD2 ASP A 42 -13.741 -19.135 2.357 1.00 0.00 O ATOM 0 H ASP A 42 -11.198 -17.687 0.198 1.00 0.00 H new ATOM 0 HA ASP A 42 -10.804 -16.814 2.975 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -11.430 -19.451 1.619 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -10.844 -19.403 3.270 1.00 0.00 H new ATOM 653 N ALA A 43 -8.320 -16.932 1.771 1.00 0.00 N ATOM 654 CA ALA A 43 -6.884 -17.129 1.675 1.00 0.00 C ATOM 655 C ALA A 43 -6.173 -16.133 2.594 1.00 0.00 C ATOM 656 O ALA A 43 -5.352 -16.525 3.422 1.00 0.00 O ATOM 657 CB ALA A 43 -6.446 -16.990 0.216 1.00 0.00 C ATOM 0 H ALA A 43 -8.639 -15.994 1.527 1.00 0.00 H new ATOM 0 HA ALA A 43 -6.612 -18.132 2.003 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -5.368 -17.138 0.144 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -6.956 -17.739 -0.390 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -6.701 -15.994 -0.147 1.00 0.00 H new ATOM 663 N VAL A 44 -6.515 -14.866 2.417 1.00 0.00 N ATOM 664 CA VAL A 44 -5.921 -13.811 3.221 1.00 0.00 C ATOM 665 C VAL A 44 -7.001 -12.801 3.611 1.00 0.00 C ATOM 666 O VAL A 44 -7.876 -12.480 2.807 1.00 0.00 O ATOM 667 CB VAL A 44 -4.752 -13.175 2.466 1.00 0.00 C ATOM 668 CG1 VAL A 44 -4.331 -11.856 3.119 1.00 0.00 C ATOM 669 CG2 VAL A 44 -3.570 -14.141 2.369 1.00 0.00 C ATOM 0 H VAL A 44 -7.196 -14.546 1.729 1.00 0.00 H new ATOM 0 HA VAL A 44 -5.511 -14.220 4.145 1.00 0.00 H new ATOM 0 HB VAL A 44 -5.088 -12.955 1.452 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.499 -11.424 2.563 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -5.171 -11.162 3.111 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.023 -12.041 4.148 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -2.753 -13.663 1.828 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.234 -14.407 3.371 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.879 -15.042 1.839 1.00 0.00 H new ATOM 679 N GLU A 45 -6.907 -12.328 4.845 1.00 0.00 N ATOM 680 CA GLU A 45 -7.867 -11.362 5.350 1.00 0.00 C ATOM 681 C GLU A 45 -7.274 -9.952 5.306 1.00 0.00 C ATOM 682 O GLU A 45 -6.134 -9.741 5.719 1.00 0.00 O ATOM 683 CB GLU A 45 -8.315 -11.724 6.768 1.00 0.00 C ATOM 684 CG GLU A 45 -8.999 -10.536 7.447 1.00 0.00 C ATOM 685 CD GLU A 45 -8.179 -10.040 8.641 1.00 0.00 C ATOM 686 OE1 GLU A 45 -8.310 -10.663 9.716 1.00 0.00 O ATOM 687 OE2 GLU A 45 -7.440 -9.050 8.450 1.00 0.00 O ATOM 0 H GLU A 45 -6.181 -12.596 5.510 1.00 0.00 H new ATOM 0 HA GLU A 45 -8.748 -11.385 4.709 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -9.000 -12.571 6.732 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -7.453 -12.037 7.357 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -9.128 -9.727 6.728 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -9.995 -10.827 7.781 1.00 0.00 H new ATOM 694 N VAL A 46 -8.073 -9.023 4.803 1.00 0.00 N ATOM 695 CA VAL A 46 -7.641 -7.640 4.700 1.00 0.00 C ATOM 696 C VAL A 46 -8.582 -6.754 5.518 1.00 0.00 C ATOM 697 O VAL A 46 -9.799 -6.811 5.347 1.00 0.00 O ATOM 698 CB VAL A 46 -7.557 -7.226 3.229 1.00 0.00 C ATOM 699 CG1 VAL A 46 -7.349 -5.716 3.096 1.00 0.00 C ATOM 700 CG2 VAL A 46 -6.454 -7.998 2.504 1.00 0.00 C ATOM 0 H VAL A 46 -9.018 -9.201 4.462 1.00 0.00 H new ATOM 0 HA VAL A 46 -6.640 -7.521 5.115 1.00 0.00 H new ATOM 0 HB VAL A 46 -8.506 -7.476 2.756 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -7.293 -5.448 2.041 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -8.184 -5.191 3.560 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -6.421 -5.431 3.593 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -6.416 -7.685 1.461 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -5.495 -7.794 2.979 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -6.664 -9.066 2.554 1.00 0.00 H new ATOM 710 N THR A 47 -7.983 -5.954 6.388 1.00 0.00 N ATOM 711 CA THR A 47 -8.753 -5.057 7.233 1.00 0.00 C ATOM 712 C THR A 47 -7.987 -3.752 7.462 1.00 0.00 C ATOM 713 O THR A 47 -6.809 -3.653 7.126 1.00 0.00 O ATOM 714 CB THR A 47 -9.090 -5.800 8.527 1.00 0.00 C ATOM 715 OG1 THR A 47 -7.890 -6.496 8.850 1.00 0.00 O ATOM 716 CG2 THR A 47 -10.120 -6.910 8.313 1.00 0.00 C ATOM 0 H THR A 47 -6.973 -5.908 6.526 1.00 0.00 H new ATOM 0 HA THR A 47 -9.689 -4.768 6.755 1.00 0.00 H new ATOM 0 HB THR A 47 -9.468 -5.092 9.264 1.00 0.00 H new ATOM 0 HG1 THR A 47 -7.938 -7.410 8.500 1.00 0.00 H new ATOM 0 HG21 THR A 47 -10.324 -7.405 9.262 1.00 0.00 H new ATOM 0 HG22 THR A 47 -11.043 -6.480 7.923 1.00 0.00 H new ATOM 0 HG23 THR A 47 -9.729 -7.637 7.601 1.00 0.00 H new ATOM 724 N GLY A 48 -8.689 -2.784 8.034 1.00 0.00 N ATOM 725 CA GLY A 48 -8.090 -1.491 8.313 1.00 0.00 C ATOM 726 C GLY A 48 -8.319 -0.519 7.153 1.00 0.00 C ATOM 727 O GLY A 48 -8.290 0.696 7.341 1.00 0.00 O ATOM 0 H GLY A 48 -9.667 -2.870 8.311 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -8.516 -1.078 9.227 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -7.021 -1.611 8.486 1.00 0.00 H new ATOM 731 N LEU A 49 -8.541 -1.092 5.978 1.00 0.00 N ATOM 732 CA LEU A 49 -8.776 -0.292 4.789 1.00 0.00 C ATOM 733 C LEU A 49 -9.784 0.813 5.111 1.00 0.00 C ATOM 734 O LEU A 49 -10.484 0.744 6.120 1.00 0.00 O ATOM 735 CB LEU A 49 -9.194 -1.184 3.618 1.00 0.00 C ATOM 736 CG LEU A 49 -8.055 -1.787 2.794 1.00 0.00 C ATOM 737 CD1 LEU A 49 -8.598 -2.701 1.694 1.00 0.00 C ATOM 738 CD2 LEU A 49 -7.145 -0.692 2.233 1.00 0.00 C ATOM 0 H LEU A 49 -8.563 -2.100 5.825 1.00 0.00 H new ATOM 0 HA LEU A 49 -7.856 0.200 4.474 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -9.805 -1.999 4.008 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -9.829 -0.600 2.951 1.00 0.00 H new ATOM 0 HG LEU A 49 -7.446 -2.405 3.454 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -7.768 -3.116 1.123 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -9.170 -3.512 2.144 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -9.244 -2.127 1.029 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -6.344 -1.148 1.651 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -7.726 -0.029 1.593 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -6.716 -0.119 3.055 1.00 0.00 H new ATOM 750 N PRO A 50 -9.827 1.832 4.212 1.00 0.00 N ATOM 751 CA PRO A 50 -10.739 2.950 4.391 1.00 0.00 C ATOM 752 C PRO A 50 -12.176 2.544 4.054 1.00 0.00 C ATOM 753 O PRO A 50 -12.402 1.731 3.161 1.00 0.00 O ATOM 754 CB PRO A 50 -10.203 4.045 3.484 1.00 0.00 C ATOM 755 CG PRO A 50 -9.290 3.349 2.486 1.00 0.00 C ATOM 756 CD PRO A 50 -9.015 1.947 3.006 1.00 0.00 C ATOM 0 HA PRO A 50 -10.784 3.295 5.424 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -11.016 4.563 2.975 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -9.657 4.794 4.057 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -9.760 3.307 1.504 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -8.358 3.903 2.370 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -9.290 1.191 2.270 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -7.957 1.807 3.227 1.00 0.00 H new ATOM 764 N ASP A 51 -13.109 3.131 4.789 1.00 0.00 N ATOM 765 CA ASP A 51 -14.518 2.842 4.580 1.00 0.00 C ATOM 766 C ASP A 51 -14.908 3.235 3.154 1.00 0.00 C ATOM 767 O ASP A 51 -14.430 4.241 2.630 1.00 0.00 O ATOM 768 CB ASP A 51 -15.394 3.641 5.546 1.00 0.00 C ATOM 769 CG ASP A 51 -15.107 5.144 5.588 1.00 0.00 C ATOM 770 OD1 ASP A 51 -15.678 5.854 4.731 1.00 0.00 O ATOM 771 OD2 ASP A 51 -14.325 5.548 6.475 1.00 0.00 O ATOM 0 H ASP A 51 -12.917 3.805 5.530 1.00 0.00 H new ATOM 0 HA ASP A 51 -14.672 1.777 4.751 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -16.439 3.493 5.272 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -15.267 3.234 6.549 1.00 0.00 H new ATOM 776 N ASP A 52 -15.772 2.421 2.565 1.00 0.00 N ATOM 777 CA ASP A 52 -16.232 2.671 1.210 1.00 0.00 C ATOM 778 C ASP A 52 -15.087 2.404 0.230 1.00 0.00 C ATOM 779 O ASP A 52 -14.957 3.093 -0.780 1.00 0.00 O ATOM 780 CB ASP A 52 -16.673 4.126 1.037 1.00 0.00 C ATOM 781 CG ASP A 52 -17.951 4.322 0.219 1.00 0.00 C ATOM 782 OD1 ASP A 52 -18.237 3.431 -0.610 1.00 0.00 O ATOM 783 OD2 ASP A 52 -18.614 5.358 0.443 1.00 0.00 O ATOM 0 H ASP A 52 -16.166 1.588 3.002 1.00 0.00 H new ATOM 0 HA ASP A 52 -17.078 2.012 1.014 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -16.820 4.565 2.024 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -15.865 4.680 0.559 1.00 0.00 H new ATOM 788 N ILE A 53 -14.288 1.402 0.564 1.00 0.00 N ATOM 789 CA ILE A 53 -13.159 1.035 -0.274 1.00 0.00 C ATOM 790 C ILE A 53 -12.843 -0.449 -0.075 1.00 0.00 C ATOM 791 O ILE A 53 -12.500 -0.872 1.027 1.00 0.00 O ATOM 792 CB ILE A 53 -11.969 1.958 -0.004 1.00 0.00 C ATOM 793 CG1 ILE A 53 -12.301 3.404 -0.380 1.00 0.00 C ATOM 794 CG2 ILE A 53 -10.712 1.455 -0.716 1.00 0.00 C ATOM 795 CD1 ILE A 53 -11.079 4.309 -0.211 1.00 0.00 C ATOM 0 H ILE A 53 -14.400 0.833 1.403 1.00 0.00 H new ATOM 0 HA ILE A 53 -13.406 1.171 -1.327 1.00 0.00 H new ATOM 0 HB ILE A 53 -11.761 1.943 1.066 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -12.648 3.445 -1.413 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -13.117 3.768 0.245 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -9.881 2.129 -0.507 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -10.467 0.455 -0.358 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -10.891 1.422 -1.791 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -11.342 5.331 -0.485 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -10.749 4.285 0.828 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -10.274 3.957 -0.855 1.00 0.00 H new ATOM 807 N PRO A 54 -12.973 -1.218 -1.190 1.00 0.00 N ATOM 808 CA PRO A 54 -12.705 -2.646 -1.149 1.00 0.00 C ATOM 809 C PRO A 54 -11.201 -2.920 -1.094 1.00 0.00 C ATOM 810 O PRO A 54 -10.416 -2.031 -0.767 1.00 0.00 O ATOM 811 CB PRO A 54 -13.366 -3.206 -2.398 1.00 0.00 C ATOM 812 CG PRO A 54 -13.576 -2.020 -3.326 1.00 0.00 C ATOM 813 CD PRO A 54 -13.378 -0.751 -2.512 1.00 0.00 C ATOM 0 HA PRO A 54 -13.105 -3.124 -0.255 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -12.737 -3.962 -2.867 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -14.315 -3.686 -2.156 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -12.870 -2.055 -4.156 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -14.577 -2.045 -3.757 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -12.616 -0.110 -2.956 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -14.296 -0.166 -2.461 1.00 0.00 H new ATOM 821 N PHE A 55 -10.844 -4.155 -1.417 1.00 0.00 N ATOM 822 CA PHE A 55 -9.449 -4.557 -1.408 1.00 0.00 C ATOM 823 C PHE A 55 -9.055 -5.200 -2.740 1.00 0.00 C ATOM 824 O PHE A 55 -9.262 -6.395 -2.941 1.00 0.00 O ATOM 825 CB PHE A 55 -9.288 -5.590 -0.290 1.00 0.00 C ATOM 826 CG PHE A 55 -8.068 -6.498 -0.452 1.00 0.00 C ATOM 827 CD1 PHE A 55 -6.818 -5.963 -0.467 1.00 0.00 C ATOM 828 CD2 PHE A 55 -8.234 -7.842 -0.584 1.00 0.00 C ATOM 829 CE1 PHE A 55 -5.685 -6.806 -0.618 1.00 0.00 C ATOM 830 CE2 PHE A 55 -7.101 -8.685 -0.735 1.00 0.00 C ATOM 831 CZ PHE A 55 -5.851 -8.149 -0.750 1.00 0.00 C ATOM 0 H PHE A 55 -11.498 -4.890 -1.687 1.00 0.00 H new ATOM 0 HA PHE A 55 -8.812 -3.686 -1.253 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -9.216 -5.069 0.665 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -10.185 -6.208 -0.249 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -6.687 -4.896 -0.364 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -9.227 -8.267 -0.574 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -4.692 -6.381 -0.628 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -7.232 -9.752 -0.838 1.00 0.00 H new ATOM 0 HZ PHE A 55 -4.990 -8.790 -0.867 1.00 0.00 H new ATOM 841 N ARG A 56 -8.494 -4.377 -3.613 1.00 0.00 N ATOM 842 CA ARG A 56 -8.069 -4.850 -4.920 1.00 0.00 C ATOM 843 C ARG A 56 -6.741 -4.201 -5.314 1.00 0.00 C ATOM 844 O ARG A 56 -6.252 -3.308 -4.622 1.00 0.00 O ATOM 845 CB ARG A 56 -9.119 -4.535 -5.987 1.00 0.00 C ATOM 846 CG ARG A 56 -10.516 -4.948 -5.521 1.00 0.00 C ATOM 847 CD ARG A 56 -11.278 -5.665 -6.637 1.00 0.00 C ATOM 848 NE ARG A 56 -12.735 -5.466 -6.465 1.00 0.00 N ATOM 849 CZ ARG A 56 -13.629 -5.565 -7.458 1.00 0.00 C ATOM 850 NH1 ARG A 56 -13.221 -5.862 -8.700 1.00 0.00 N ATOM 851 NH2 ARG A 56 -14.931 -5.368 -7.209 1.00 0.00 N ATOM 0 H ARG A 56 -8.324 -3.386 -3.442 1.00 0.00 H new ATOM 0 HA ARG A 56 -7.944 -5.931 -4.857 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -9.107 -3.468 -6.210 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -8.871 -5.057 -6.911 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -10.435 -5.602 -4.653 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -11.073 -4.066 -5.204 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -10.963 -5.282 -7.608 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -11.044 -6.729 -6.623 1.00 0.00 H new ATOM 0 HE ARG A 56 -13.080 -5.239 -5.532 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -12.230 -6.013 -8.889 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -13.902 -5.937 -9.456 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -15.241 -5.143 -6.264 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -15.612 -5.443 -7.965 1.00 0.00 H new ATOM 865 N ASN A 57 -6.194 -4.674 -6.424 1.00 0.00 N ATOM 866 CA ASN A 57 -4.931 -4.151 -6.917 1.00 0.00 C ATOM 867 C ASN A 57 -4.889 -2.637 -6.695 1.00 0.00 C ATOM 868 O ASN A 57 -5.863 -1.939 -6.972 1.00 0.00 O ATOM 869 CB ASN A 57 -4.774 -4.413 -8.417 1.00 0.00 C ATOM 870 CG ASN A 57 -3.317 -4.712 -8.772 1.00 0.00 C ATOM 871 OD1 ASN A 57 -2.520 -3.825 -9.032 1.00 0.00 O ATOM 872 ND2 ASN A 57 -3.013 -6.006 -8.769 1.00 0.00 N ATOM 0 H ASN A 57 -6.602 -5.413 -6.996 1.00 0.00 H new ATOM 0 HA ASN A 57 -4.126 -4.650 -6.377 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -5.403 -5.253 -8.711 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -5.118 -3.545 -8.979 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -2.065 -6.308 -8.993 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -3.728 -6.697 -8.542 1.00 0.00 H new ATOM 879 N PRO A 58 -3.721 -2.163 -6.185 1.00 0.00 N ATOM 880 CA PRO A 58 -3.541 -0.746 -5.923 1.00 0.00 C ATOM 881 C PRO A 58 -3.327 0.029 -7.225 1.00 0.00 C ATOM 882 O PRO A 58 -3.316 1.260 -7.225 1.00 0.00 O ATOM 883 CB PRO A 58 -2.348 -0.669 -4.983 1.00 0.00 C ATOM 884 CG PRO A 58 -1.621 -1.996 -5.122 1.00 0.00 C ATOM 885 CD PRO A 58 -2.547 -2.961 -5.846 1.00 0.00 C ATOM 0 HA PRO A 58 -4.419 -0.287 -5.470 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -1.696 0.163 -5.247 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -2.671 -0.507 -3.955 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -0.693 -1.867 -5.679 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -1.352 -2.388 -4.141 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -2.074 -3.369 -6.739 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -2.813 -3.807 -5.211 1.00 0.00 H new ATOM 893 N ASN A 59 -3.160 -0.722 -8.304 1.00 0.00 N ATOM 894 CA ASN A 59 -2.948 -0.121 -9.609 1.00 0.00 C ATOM 895 C ASN A 59 -4.293 0.035 -10.320 1.00 0.00 C ATOM 896 O ASN A 59 -4.552 -0.634 -11.319 1.00 0.00 O ATOM 897 CB ASN A 59 -2.050 -1.002 -10.481 1.00 0.00 C ATOM 898 CG ASN A 59 -1.366 -0.176 -11.573 1.00 0.00 C ATOM 899 OD1 ASN A 59 -1.758 0.936 -11.883 1.00 0.00 O ATOM 900 ND2 ASN A 59 -0.324 -0.781 -12.135 1.00 0.00 N ATOM 0 H ASN A 59 -3.167 -1.742 -8.301 1.00 0.00 H new ATOM 0 HA ASN A 59 -2.469 0.847 -9.461 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -1.296 -1.486 -9.860 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -2.644 -1.794 -10.937 1.00 0.00 H new ATOM 0 HD21 ASN A 59 0.200 -0.312 -12.874 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -0.049 -1.714 -11.827 1.00 0.00 H new ATOM 907 N THR A 60 -5.115 0.921 -9.777 1.00 0.00 N ATOM 908 CA THR A 60 -6.428 1.172 -10.346 1.00 0.00 C ATOM 909 C THR A 60 -7.166 2.238 -9.533 1.00 0.00 C ATOM 910 O THR A 60 -7.894 3.057 -10.093 1.00 0.00 O ATOM 911 CB THR A 60 -7.174 -0.161 -10.420 1.00 0.00 C ATOM 912 OG1 THR A 60 -8.549 0.211 -10.438 1.00 0.00 O ATOM 913 CG2 THR A 60 -7.028 -0.987 -9.140 1.00 0.00 C ATOM 0 H THR A 60 -4.897 1.474 -8.948 1.00 0.00 H new ATOM 0 HA THR A 60 -6.351 1.574 -11.356 1.00 0.00 H new ATOM 0 HB THR A 60 -6.803 -0.737 -11.267 1.00 0.00 H new ATOM 0 HG1 THR A 60 -9.105 -0.594 -10.487 1.00 0.00 H new ATOM 0 HG21 THR A 60 -7.577 -1.923 -9.246 1.00 0.00 H new ATOM 0 HG22 THR A 60 -5.974 -1.202 -8.964 1.00 0.00 H new ATOM 0 HG23 THR A 60 -7.429 -0.425 -8.297 1.00 0.00 H new ATOM 921 N TYR A 61 -6.954 2.192 -8.226 1.00 0.00 N ATOM 922 CA TYR A 61 -7.591 3.143 -7.332 1.00 0.00 C ATOM 923 C TYR A 61 -7.418 4.576 -7.839 1.00 0.00 C ATOM 924 O TYR A 61 -6.714 4.808 -8.822 1.00 0.00 O ATOM 925 CB TYR A 61 -6.874 3.002 -5.987 1.00 0.00 C ATOM 926 CG TYR A 61 -7.176 1.691 -5.255 1.00 0.00 C ATOM 927 CD1 TYR A 61 -8.479 1.260 -5.122 1.00 0.00 C ATOM 928 CD2 TYR A 61 -6.143 0.942 -4.731 1.00 0.00 C ATOM 929 CE1 TYR A 61 -8.763 0.028 -4.434 1.00 0.00 C ATOM 930 CE2 TYR A 61 -6.427 -0.291 -4.042 1.00 0.00 C ATOM 931 CZ TYR A 61 -7.723 -0.687 -3.928 1.00 0.00 C ATOM 932 OH TYR A 61 -7.991 -1.852 -3.278 1.00 0.00 O ATOM 0 H TYR A 61 -6.350 1.511 -7.765 1.00 0.00 H new ATOM 0 HA TYR A 61 -8.660 2.944 -7.260 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -5.799 3.076 -6.150 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -7.157 3.837 -5.347 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -9.287 1.847 -5.534 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -5.123 1.279 -4.837 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -9.779 -0.321 -4.322 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -5.629 -0.887 -3.625 1.00 0.00 H new ATOM 0 HH TYR A 61 -7.202 -2.433 -3.309 1.00 0.00 H new ATOM 942 N ASP A 62 -8.070 5.498 -7.149 1.00 0.00 N ATOM 943 CA ASP A 62 -7.998 6.902 -7.519 1.00 0.00 C ATOM 944 C ASP A 62 -7.225 7.668 -6.444 1.00 0.00 C ATOM 945 O ASP A 62 -7.049 7.175 -5.330 1.00 0.00 O ATOM 946 CB ASP A 62 -9.394 7.516 -7.626 1.00 0.00 C ATOM 947 CG ASP A 62 -10.357 6.776 -8.556 1.00 0.00 C ATOM 948 OD1 ASP A 62 -9.874 5.871 -9.270 1.00 0.00 O ATOM 949 OD2 ASP A 62 -11.555 7.132 -8.533 1.00 0.00 O ATOM 0 H ASP A 62 -8.652 5.301 -6.335 1.00 0.00 H new ATOM 0 HA ASP A 62 -7.500 6.971 -8.486 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -9.834 7.556 -6.630 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -9.296 8.545 -7.973 1.00 0.00 H new ATOM 954 N ILE A 63 -6.784 8.861 -6.814 1.00 0.00 N ATOM 955 CA ILE A 63 -6.035 9.700 -5.895 1.00 0.00 C ATOM 956 C ILE A 63 -6.671 9.624 -4.506 1.00 0.00 C ATOM 957 O ILE A 63 -5.970 9.639 -3.496 1.00 0.00 O ATOM 958 CB ILE A 63 -5.921 11.125 -6.442 1.00 0.00 C ATOM 959 CG1 ILE A 63 -4.542 11.717 -6.145 1.00 0.00 C ATOM 960 CG2 ILE A 63 -7.051 12.008 -5.910 1.00 0.00 C ATOM 961 CD1 ILE A 63 -4.593 13.246 -6.129 1.00 0.00 C ATOM 0 H ILE A 63 -6.931 9.267 -7.738 1.00 0.00 H new ATOM 0 HA ILE A 63 -5.012 9.337 -5.797 1.00 0.00 H new ATOM 0 HB ILE A 63 -6.027 11.085 -7.526 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -4.185 11.351 -5.182 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -3.829 11.381 -6.898 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -6.947 13.015 -6.314 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -8.012 11.593 -6.215 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -7.001 12.046 -4.822 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.600 13.641 -5.916 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -4.927 13.609 -7.101 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -5.289 13.579 -5.359 1.00 0.00 H new ATOM 973 N HIS A 64 -7.993 9.542 -4.500 1.00 0.00 N ATOM 974 CA HIS A 64 -8.733 9.465 -3.252 1.00 0.00 C ATOM 975 C HIS A 64 -8.420 8.139 -2.553 1.00 0.00 C ATOM 976 O HIS A 64 -7.706 8.114 -1.552 1.00 0.00 O ATOM 977 CB HIS A 64 -10.229 9.669 -3.492 1.00 0.00 C ATOM 978 CG HIS A 64 -10.737 11.030 -3.082 1.00 0.00 C ATOM 979 ND1 HIS A 64 -11.704 11.207 -2.107 1.00 0.00 N ATOM 980 CD2 HIS A 64 -10.402 12.276 -3.523 1.00 0.00 C ATOM 981 CE1 HIS A 64 -11.934 12.505 -1.977 1.00 0.00 C ATOM 982 NE2 HIS A 64 -11.126 13.166 -2.855 1.00 0.00 N ATOM 0 H HIS A 64 -8.571 9.527 -5.340 1.00 0.00 H new ATOM 0 HA HIS A 64 -8.419 10.271 -2.589 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -10.441 9.517 -4.550 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -10.782 8.906 -2.944 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -9.672 12.501 -4.286 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -12.638 12.960 -1.296 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -11.085 14.178 -2.978 1.00 0.00 H new ATOM 990 N ARG A 65 -8.970 7.069 -3.108 1.00 0.00 N ATOM 991 CA ARG A 65 -8.760 5.745 -2.552 1.00 0.00 C ATOM 992 C ARG A 65 -7.286 5.549 -2.189 1.00 0.00 C ATOM 993 O ARG A 65 -6.968 5.095 -1.091 1.00 0.00 O ATOM 994 CB ARG A 65 -9.183 4.657 -3.541 1.00 0.00 C ATOM 995 CG ARG A 65 -10.694 4.693 -3.782 1.00 0.00 C ATOM 996 CD ARG A 65 -11.225 3.305 -4.142 1.00 0.00 C ATOM 997 NE ARG A 65 -12.704 3.299 -4.089 1.00 0.00 N ATOM 998 CZ ARG A 65 -13.492 3.817 -5.041 1.00 0.00 C ATOM 999 NH1 ARG A 65 -12.947 4.385 -6.125 1.00 0.00 N ATOM 1000 NH2 ARG A 65 -14.824 3.767 -4.909 1.00 0.00 N ATOM 0 H ARG A 65 -9.562 7.093 -3.938 1.00 0.00 H new ATOM 0 HA ARG A 65 -9.373 5.662 -1.655 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -8.657 4.795 -4.486 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -8.896 3.679 -3.156 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -11.200 5.059 -2.889 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -10.921 5.393 -4.586 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -10.888 3.025 -5.140 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -10.825 2.563 -3.451 1.00 0.00 H new ATOM 0 HE ARG A 65 -13.152 2.874 -3.277 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -11.933 4.423 -6.225 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -13.546 4.779 -6.850 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -15.239 3.335 -4.084 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -15.423 4.161 -5.634 1.00 0.00 H new ATOM 1014 N LEU A 66 -6.426 5.902 -3.134 1.00 0.00 N ATOM 1015 CA LEU A 66 -4.994 5.772 -2.928 1.00 0.00 C ATOM 1016 C LEU A 66 -4.602 6.484 -1.631 1.00 0.00 C ATOM 1017 O LEU A 66 -3.856 5.938 -0.820 1.00 0.00 O ATOM 1018 CB LEU A 66 -4.229 6.267 -4.156 1.00 0.00 C ATOM 1019 CG LEU A 66 -4.317 5.383 -5.403 1.00 0.00 C ATOM 1020 CD1 LEU A 66 -3.732 6.097 -6.624 1.00 0.00 C ATOM 1021 CD2 LEU A 66 -3.654 4.025 -5.160 1.00 0.00 C ATOM 0 H LEU A 66 -6.694 6.278 -4.044 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.720 4.723 -2.812 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -4.597 7.260 -4.413 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.179 6.376 -3.886 1.00 0.00 H new ATOM 0 HG LEU A 66 -5.369 5.194 -5.615 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -3.807 5.447 -7.496 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -4.287 7.017 -6.808 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.685 6.336 -6.439 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -3.730 3.416 -6.061 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -2.603 4.173 -4.910 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -4.155 3.518 -4.336 1.00 0.00 H new ATOM 1033 N GLU A 67 -5.122 7.692 -1.477 1.00 0.00 N ATOM 1034 CA GLU A 67 -4.836 8.485 -0.293 1.00 0.00 C ATOM 1035 C GLU A 67 -5.489 7.854 0.938 1.00 0.00 C ATOM 1036 O GLU A 67 -4.813 7.571 1.927 1.00 0.00 O ATOM 1037 CB GLU A 67 -5.297 9.932 -0.477 1.00 0.00 C ATOM 1038 CG GLU A 67 -4.237 10.757 -1.210 1.00 0.00 C ATOM 1039 CD GLU A 67 -3.591 11.778 -0.270 1.00 0.00 C ATOM 1040 OE1 GLU A 67 -4.360 12.522 0.375 1.00 0.00 O ATOM 1041 OE2 GLU A 67 -2.342 11.788 -0.217 1.00 0.00 O ATOM 0 H GLU A 67 -5.740 8.142 -2.152 1.00 0.00 H new ATOM 0 HA GLU A 67 -3.757 8.499 -0.141 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.231 9.951 -1.039 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -5.502 10.379 0.496 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -3.472 10.095 -1.615 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -4.693 11.273 -2.055 1.00 0.00 H new ATOM 1048 N LYS A 68 -6.795 7.653 0.838 1.00 0.00 N ATOM 1049 CA LYS A 68 -7.546 7.060 1.932 1.00 0.00 C ATOM 1050 C LYS A 68 -6.775 5.859 2.484 1.00 0.00 C ATOM 1051 O LYS A 68 -6.570 5.749 3.691 1.00 0.00 O ATOM 1052 CB LYS A 68 -8.970 6.725 1.485 1.00 0.00 C ATOM 1053 CG LYS A 68 -9.640 7.937 0.834 1.00 0.00 C ATOM 1054 CD LYS A 68 -10.952 8.283 1.542 1.00 0.00 C ATOM 1055 CE LYS A 68 -11.635 9.479 0.878 1.00 0.00 C ATOM 1056 NZ LYS A 68 -12.781 9.942 1.693 1.00 0.00 N ATOM 0 H LYS A 68 -7.352 7.890 0.017 1.00 0.00 H new ATOM 0 HA LYS A 68 -7.653 7.772 2.750 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -8.948 5.895 0.779 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -9.557 6.398 2.343 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -8.966 8.793 0.870 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -9.834 7.729 -0.218 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -11.619 7.421 1.521 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -10.755 8.508 2.590 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -10.919 10.291 0.753 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -11.979 9.202 -0.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -13.233 10.755 1.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -13.472 9.171 1.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -12.445 10.226 2.635 1.00 0.00 H new ATOM 1070 N ILE A 69 -6.369 4.988 1.571 1.00 0.00 N ATOM 1071 CA ILE A 69 -5.625 3.799 1.950 1.00 0.00 C ATOM 1072 C ILE A 69 -4.357 4.213 2.699 1.00 0.00 C ATOM 1073 O ILE A 69 -4.123 3.773 3.823 1.00 0.00 O ATOM 1074 CB ILE A 69 -5.358 2.922 0.726 1.00 0.00 C ATOM 1075 CG1 ILE A 69 -6.642 2.240 0.249 1.00 0.00 C ATOM 1076 CG2 ILE A 69 -4.243 1.912 1.008 1.00 0.00 C ATOM 1077 CD1 ILE A 69 -6.768 2.314 -1.274 1.00 0.00 C ATOM 0 H ILE A 69 -6.541 5.082 0.570 1.00 0.00 H new ATOM 0 HA ILE A 69 -6.212 3.184 2.632 1.00 0.00 H new ATOM 0 HB ILE A 69 -5.014 3.564 -0.085 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -6.644 1.198 0.568 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -7.505 2.717 0.713 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -4.073 1.301 0.122 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -3.326 2.444 1.263 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -4.535 1.271 1.840 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -7.689 1.822 -1.587 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -6.790 3.358 -1.587 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -5.915 1.815 -1.734 1.00 0.00 H new ATOM 1089 N LEU A 70 -3.571 5.056 2.045 1.00 0.00 N ATOM 1090 CA LEU A 70 -2.332 5.535 2.635 1.00 0.00 C ATOM 1091 C LEU A 70 -2.633 6.181 3.989 1.00 0.00 C ATOM 1092 O LEU A 70 -1.811 6.129 4.903 1.00 0.00 O ATOM 1093 CB LEU A 70 -1.597 6.459 1.662 1.00 0.00 C ATOM 1094 CG LEU A 70 -0.742 5.768 0.598 1.00 0.00 C ATOM 1095 CD1 LEU A 70 -0.387 6.735 -0.533 1.00 0.00 C ATOM 1096 CD2 LEU A 70 0.502 5.133 1.222 1.00 0.00 C ATOM 0 H LEU A 70 -3.768 5.420 1.113 1.00 0.00 H new ATOM 0 HA LEU A 70 -1.653 4.703 2.822 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -2.334 7.084 1.158 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -0.956 7.125 2.239 1.00 0.00 H new ATOM 0 HG LEU A 70 -1.329 4.961 0.159 1.00 0.00 H new ATOM 0 HD11 LEU A 70 0.221 6.219 -1.276 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -1.302 7.098 -1.002 1.00 0.00 H new ATOM 0 HD13 LEU A 70 0.173 7.578 -0.128 1.00 0.00 H new ATOM 0 HD21 LEU A 70 1.092 4.649 0.444 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.101 5.905 1.705 1.00 0.00 H new ATOM 0 HD23 LEU A 70 0.200 4.392 1.962 1.00 0.00 H new ATOM 1108 N LYS A 71 -3.813 6.777 4.074 1.00 0.00 N ATOM 1109 CA LYS A 71 -4.233 7.432 5.301 1.00 0.00 C ATOM 1110 C LYS A 71 -4.543 6.373 6.360 1.00 0.00 C ATOM 1111 O LYS A 71 -4.508 6.658 7.556 1.00 0.00 O ATOM 1112 CB LYS A 71 -5.398 8.387 5.026 1.00 0.00 C ATOM 1113 CG LYS A 71 -5.008 9.833 5.347 1.00 0.00 C ATOM 1114 CD LYS A 71 -6.239 10.742 5.358 1.00 0.00 C ATOM 1115 CE LYS A 71 -5.833 12.214 5.271 1.00 0.00 C ATOM 1116 NZ LYS A 71 -6.597 13.021 6.248 1.00 0.00 N ATOM 0 H LYS A 71 -4.491 6.820 3.313 1.00 0.00 H new ATOM 0 HA LYS A 71 -3.428 8.052 5.697 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -5.697 8.310 3.981 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -6.260 8.097 5.626 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -4.513 9.873 6.317 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -4.292 10.193 4.608 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -6.889 10.490 4.520 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -6.813 10.572 6.269 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -4.765 12.315 5.463 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -6.012 12.588 4.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -6.309 14.018 6.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -7.614 12.939 6.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -6.406 12.674 7.210 1.00 0.00 H new ATOM 1130 N ALA A 72 -4.841 5.174 5.883 1.00 0.00 N ATOM 1131 CA ALA A 72 -5.157 4.071 6.775 1.00 0.00 C ATOM 1132 C ALA A 72 -4.062 3.008 6.671 1.00 0.00 C ATOM 1133 O ALA A 72 -4.289 1.844 6.998 1.00 0.00 O ATOM 1134 CB ALA A 72 -6.541 3.517 6.431 1.00 0.00 C ATOM 0 H ALA A 72 -4.870 4.942 4.890 1.00 0.00 H new ATOM 0 HA ALA A 72 -5.190 4.411 7.810 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -6.778 2.690 7.100 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -7.287 4.303 6.548 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -6.545 3.163 5.400 1.00 0.00 H new ATOM 1140 N ARG A 73 -2.898 3.445 6.215 1.00 0.00 N ATOM 1141 CA ARG A 73 -1.767 2.546 6.065 1.00 0.00 C ATOM 1142 C ARG A 73 -1.368 1.963 7.422 1.00 0.00 C ATOM 1143 O ARG A 73 -0.863 0.843 7.497 1.00 0.00 O ATOM 1144 CB ARG A 73 -0.564 3.270 5.456 1.00 0.00 C ATOM 1145 CG ARG A 73 -0.079 4.393 6.372 1.00 0.00 C ATOM 1146 CD ARG A 73 1.059 5.181 5.719 1.00 0.00 C ATOM 1147 NE ARG A 73 1.319 6.422 6.482 1.00 0.00 N ATOM 1148 CZ ARG A 73 2.325 7.268 6.220 1.00 0.00 C ATOM 1149 NH1 ARG A 73 3.170 7.012 5.213 1.00 0.00 N ATOM 1150 NH2 ARG A 73 2.484 8.370 6.966 1.00 0.00 N ATOM 0 H ARG A 73 -2.713 4.411 5.944 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.070 1.742 5.395 1.00 0.00 H new ATOM 0 HB2 ARG A 73 0.245 2.559 5.286 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -0.836 3.681 4.484 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -0.907 5.064 6.600 1.00 0.00 H new ATOM 0 HG3 ARG A 73 0.261 3.973 7.319 1.00 0.00 H new ATOM 0 HD2 ARG A 73 1.961 4.571 5.684 1.00 0.00 H new ATOM 0 HD3 ARG A 73 0.799 5.425 4.689 1.00 0.00 H new ATOM 0 HE ARG A 73 0.694 6.648 7.256 1.00 0.00 H new ATOM 0 HH11 ARG A 73 3.048 6.173 4.646 1.00 0.00 H new ATOM 0 HH12 ARG A 73 3.936 7.656 5.014 1.00 0.00 H new ATOM 0 HH21 ARG A 73 1.840 8.564 7.732 1.00 0.00 H new ATOM 0 HH22 ARG A 73 3.249 9.014 6.767 1.00 0.00 H new ATOM 1164 N GLU A 74 -1.610 2.748 8.462 1.00 0.00 N ATOM 1165 CA GLU A 74 -1.282 2.324 9.812 1.00 0.00 C ATOM 1166 C GLU A 74 -2.412 1.466 10.387 1.00 0.00 C ATOM 1167 O GLU A 74 -2.210 0.740 11.360 1.00 0.00 O ATOM 1168 CB GLU A 74 -0.997 3.528 10.711 1.00 0.00 C ATOM 1169 CG GLU A 74 0.489 3.895 10.680 1.00 0.00 C ATOM 1170 CD GLU A 74 1.053 4.017 12.098 1.00 0.00 C ATOM 1171 OE1 GLU A 74 0.678 3.166 12.932 1.00 0.00 O ATOM 1172 OE2 GLU A 74 1.846 4.960 12.313 1.00 0.00 O ATOM 0 H GLU A 74 -2.029 3.675 8.396 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.376 1.720 9.772 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -1.593 4.380 10.384 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -1.298 3.302 11.734 1.00 0.00 H new ATOM 0 HG2 GLU A 74 1.043 3.136 10.128 1.00 0.00 H new ATOM 0 HG3 GLU A 74 0.624 4.837 10.149 1.00 0.00 H new ATOM 1179 N HIS A 75 -3.574 1.578 9.762 1.00 0.00 N ATOM 1180 CA HIS A 75 -4.735 0.822 10.200 1.00 0.00 C ATOM 1181 C HIS A 75 -4.808 -0.498 9.430 1.00 0.00 C ATOM 1182 O HIS A 75 -5.135 -1.537 10.003 1.00 0.00 O ATOM 1183 CB HIS A 75 -6.010 1.658 10.066 1.00 0.00 C ATOM 1184 CG HIS A 75 -6.337 2.480 11.289 1.00 0.00 C ATOM 1185 ND1 HIS A 75 -6.855 1.927 12.447 1.00 0.00 N ATOM 1186 CD2 HIS A 75 -6.214 3.818 11.523 1.00 0.00 C ATOM 1187 CE1 HIS A 75 -7.032 2.898 13.331 1.00 0.00 C ATOM 1188 NE2 HIS A 75 -6.635 4.069 12.756 1.00 0.00 N ATOM 0 H HIS A 75 -3.737 2.181 8.956 1.00 0.00 H new ATOM 0 HA HIS A 75 -4.638 0.580 11.258 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -5.907 2.325 9.210 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -6.847 0.993 9.853 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -5.838 4.549 10.823 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -7.422 2.782 14.331 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -6.658 4.987 13.201 1.00 0.00 H new ATOM 1196 N VAL A 76 -4.498 -0.414 8.145 1.00 0.00 N ATOM 1197 CA VAL A 76 -4.523 -1.589 7.291 1.00 0.00 C ATOM 1198 C VAL A 76 -3.816 -2.747 8.001 1.00 0.00 C ATOM 1199 O VAL A 76 -2.703 -2.586 8.498 1.00 0.00 O ATOM 1200 CB VAL A 76 -3.910 -1.260 5.929 1.00 0.00 C ATOM 1201 CG1 VAL A 76 -3.541 -2.537 5.170 1.00 0.00 C ATOM 1202 CG2 VAL A 76 -4.852 -0.384 5.101 1.00 0.00 C ATOM 0 H VAL A 76 -4.228 0.450 7.674 1.00 0.00 H new ATOM 0 HA VAL A 76 -5.550 -1.902 7.103 1.00 0.00 H new ATOM 0 HB VAL A 76 -2.993 -0.696 6.102 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -3.107 -2.274 4.205 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -2.816 -3.108 5.750 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -4.436 -3.139 5.014 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -4.392 -0.165 4.137 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -5.793 -0.911 4.942 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -5.043 0.548 5.632 1.00 0.00 H new ATOM 1212 N ARG A 77 -4.492 -3.886 8.025 1.00 0.00 N ATOM 1213 CA ARG A 77 -3.942 -5.069 8.665 1.00 0.00 C ATOM 1214 C ARG A 77 -4.333 -6.324 7.885 1.00 0.00 C ATOM 1215 O ARG A 77 -5.504 -6.521 7.563 1.00 0.00 O ATOM 1216 CB ARG A 77 -4.441 -5.196 10.107 1.00 0.00 C ATOM 1217 CG ARG A 77 -3.993 -6.522 10.726 1.00 0.00 C ATOM 1218 CD ARG A 77 -3.312 -6.292 12.077 1.00 0.00 C ATOM 1219 NE ARG A 77 -4.274 -6.534 13.176 1.00 0.00 N ATOM 1220 CZ ARG A 77 -3.993 -6.351 14.473 1.00 0.00 C ATOM 1221 NH1 ARG A 77 -2.779 -5.922 14.842 1.00 0.00 N ATOM 1222 NH2 ARG A 77 -4.929 -6.596 15.402 1.00 0.00 N ATOM 0 H ARG A 77 -5.416 -4.015 7.612 1.00 0.00 H new ATOM 0 HA ARG A 77 -2.857 -4.967 8.675 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -4.061 -4.366 10.702 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -5.529 -5.130 10.127 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -4.855 -7.177 10.855 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -3.306 -7.030 10.050 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -2.455 -6.958 12.180 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -2.932 -5.272 12.133 1.00 0.00 H new ATOM 0 HE ARG A 77 -5.209 -6.860 12.930 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -2.068 -5.734 14.135 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -2.566 -5.783 15.830 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -5.854 -6.921 15.121 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -4.716 -6.457 16.390 1.00 0.00 H new ATOM 1236 N MET A 78 -3.330 -7.143 7.602 1.00 0.00 N ATOM 1237 CA MET A 78 -3.555 -8.375 6.865 1.00 0.00 C ATOM 1238 C MET A 78 -3.436 -9.593 7.784 1.00 0.00 C ATOM 1239 O MET A 78 -2.592 -9.621 8.677 1.00 0.00 O ATOM 1240 CB MET A 78 -2.531 -8.487 5.733 1.00 0.00 C ATOM 1241 CG MET A 78 -2.923 -7.601 4.550 1.00 0.00 C ATOM 1242 SD MET A 78 -1.610 -7.582 3.341 1.00 0.00 S ATOM 1243 CE MET A 78 -2.374 -6.589 2.069 1.00 0.00 C ATOM 0 H MET A 78 -2.360 -6.977 7.870 1.00 0.00 H new ATOM 0 HA MET A 78 -4.564 -8.351 6.453 1.00 0.00 H new ATOM 0 HB2 MET A 78 -1.546 -8.197 6.099 1.00 0.00 H new ATOM 0 HB3 MET A 78 -2.457 -9.524 5.406 1.00 0.00 H new ATOM 0 HG2 MET A 78 -3.842 -7.972 4.096 1.00 0.00 H new ATOM 0 HG3 MET A 78 -3.125 -6.587 4.895 1.00 0.00 H new ATOM 0 HE1 MET A 78 -1.601 -6.137 1.447 1.00 0.00 H new ATOM 0 HE2 MET A 78 -3.015 -7.219 1.452 1.00 0.00 H new ATOM 0 HE3 MET A 78 -2.973 -5.804 2.531 1.00 0.00 H new ATOM 1253 N VAL A 79 -4.296 -10.569 7.533 1.00 0.00 N ATOM 1254 CA VAL A 79 -4.298 -11.787 8.326 1.00 0.00 C ATOM 1255 C VAL A 79 -4.426 -12.996 7.397 1.00 0.00 C ATOM 1256 O VAL A 79 -5.400 -13.113 6.655 1.00 0.00 O ATOM 1257 CB VAL A 79 -5.406 -11.723 9.379 1.00 0.00 C ATOM 1258 CG1 VAL A 79 -5.456 -13.013 10.201 1.00 0.00 C ATOM 1259 CG2 VAL A 79 -5.233 -10.502 10.284 1.00 0.00 C ATOM 0 H VAL A 79 -4.996 -10.541 6.792 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.358 -11.892 8.867 1.00 0.00 H new ATOM 0 HB VAL A 79 -6.358 -11.621 8.858 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -6.252 -12.941 10.942 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -5.650 -13.858 9.540 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -4.502 -13.159 10.707 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -6.034 -10.481 11.023 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -4.271 -10.560 10.793 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -5.271 -9.594 9.682 1.00 0.00 H new ATOM 1269 N ILE A 80 -3.427 -13.863 7.468 1.00 0.00 N ATOM 1270 CA ILE A 80 -3.415 -15.059 6.642 1.00 0.00 C ATOM 1271 C ILE A 80 -4.480 -16.034 7.148 1.00 0.00 C ATOM 1272 O ILE A 80 -4.306 -16.662 8.191 1.00 0.00 O ATOM 1273 CB ILE A 80 -2.009 -15.659 6.588 1.00 0.00 C ATOM 1274 CG1 ILE A 80 -0.971 -14.591 6.237 1.00 0.00 C ATOM 1275 CG2 ILE A 80 -1.956 -16.848 5.626 1.00 0.00 C ATOM 1276 CD1 ILE A 80 -1.096 -14.164 4.774 1.00 0.00 C ATOM 0 H ILE A 80 -2.620 -13.762 8.084 1.00 0.00 H new ATOM 0 HA ILE A 80 -3.671 -14.812 5.612 1.00 0.00 H new ATOM 0 HB ILE A 80 -1.760 -16.037 7.580 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -1.103 -13.724 6.885 1.00 0.00 H new ATOM 0 HG13 ILE A 80 0.031 -14.978 6.422 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -0.945 -17.256 5.607 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -2.651 -17.618 5.960 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -2.234 -16.519 4.625 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -0.347 -13.404 4.551 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -0.940 -15.028 4.128 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -2.091 -13.755 4.598 1.00 0.00 H new ATOM 1288 N ILE A 81 -5.559 -16.130 6.384 1.00 0.00 N ATOM 1289 CA ILE A 81 -6.652 -17.018 6.743 1.00 0.00 C ATOM 1290 C ILE A 81 -6.259 -18.461 6.420 1.00 0.00 C ATOM 1291 O ILE A 81 -6.290 -19.327 7.292 1.00 0.00 O ATOM 1292 CB ILE A 81 -7.950 -16.569 6.069 1.00 0.00 C ATOM 1293 CG1 ILE A 81 -8.330 -15.151 6.501 1.00 0.00 C ATOM 1294 CG2 ILE A 81 -9.078 -17.569 6.330 1.00 0.00 C ATOM 1295 CD1 ILE A 81 -8.177 -14.979 8.014 1.00 0.00 C ATOM 0 H ILE A 81 -5.699 -15.608 5.519 1.00 0.00 H new ATOM 0 HA ILE A 81 -6.844 -16.972 7.815 1.00 0.00 H new ATOM 0 HB ILE A 81 -7.785 -16.544 4.992 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -7.699 -14.428 5.984 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -9.359 -14.942 6.210 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -9.989 -17.226 5.840 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -8.798 -18.545 5.933 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -9.252 -17.650 7.403 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -8.453 -13.963 8.294 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -8.827 -15.687 8.528 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -7.141 -15.165 8.298 1.00 0.00 H new