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=-0.00114 X(o=-0.0011,f=0) USER MOD Single : A 13 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.102) USER MOD Single : A 17 ASN : amide:sc= -4.86 K(o=-4.9,f=-6.7!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 TYR OH : rot 15:sc= -1.54 USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 TYR OH : rot -17:sc= -0.429 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 170:sc= -0.802 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -0.252 K(o=-0.25,f=-2.6) USER MOD Single : A 59 ASN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 156:sc= 1.38 USER MOD Single : A 64 HIS : no HD1:sc= 0 X(o=0,f=0) 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) USER MOD Single : A 78 MET CE :methyl 140:sc= -1.78 (180deg=-3.18!) USER MOD ----------------------------------------------------------------- ATOM 66 N LEU A 8 1.967 8.018 -4.951 1.00 0.00 N ATOM 67 CA LEU A 8 1.025 7.333 -4.082 1.00 0.00 C ATOM 68 C LEU A 8 0.909 5.871 -4.514 1.00 0.00 C ATOM 69 O LEU A 8 1.080 4.963 -3.702 1.00 0.00 O ATOM 70 CB LEU A 8 -0.313 8.074 -4.051 1.00 0.00 C ATOM 71 CG LEU A 8 -0.282 9.493 -3.481 1.00 0.00 C ATOM 72 CD1 LEU A 8 -1.461 10.319 -4.000 1.00 0.00 C ATOM 73 CD2 LEU A 8 -0.229 9.468 -1.952 1.00 0.00 C ATOM 0 HA LEU A 8 1.386 7.334 -3.054 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -0.703 8.121 -5.068 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -1.019 7.484 -3.466 1.00 0.00 H new ATOM 0 HG LEU A 8 0.629 9.980 -3.827 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -1.415 11.323 -3.579 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.413 10.378 -5.087 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -2.396 9.844 -3.704 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -0.208 10.489 -1.572 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -1.110 8.955 -1.566 1.00 0.00 H new ATOM 0 HD23 LEU A 8 0.669 8.941 -1.628 1.00 0.00 H new ATOM 85 N ARG A 9 0.620 5.687 -5.795 1.00 0.00 N ATOM 86 CA ARG A 9 0.478 4.350 -6.345 1.00 0.00 C ATOM 87 C ARG A 9 1.537 3.417 -5.753 1.00 0.00 C ATOM 88 O ARG A 9 1.207 2.460 -5.056 1.00 0.00 O ATOM 89 CB ARG A 9 0.617 4.364 -7.869 1.00 0.00 C ATOM 90 CG ARG A 9 0.021 3.097 -8.486 1.00 0.00 C ATOM 91 CD ARG A 9 -1.262 3.414 -9.256 1.00 0.00 C ATOM 92 NE ARG A 9 -0.957 3.602 -10.692 1.00 0.00 N ATOM 93 CZ ARG A 9 -1.872 3.919 -11.620 1.00 0.00 C ATOM 94 NH1 ARG A 9 -3.153 4.084 -11.267 1.00 0.00 N ATOM 95 NH2 ARG A 9 -1.503 4.069 -12.899 1.00 0.00 N ATOM 0 H ARG A 9 0.481 6.442 -6.467 1.00 0.00 H new ATOM 0 HA ARG A 9 -0.517 3.989 -6.085 1.00 0.00 H new ATOM 0 HB2 ARG A 9 0.114 5.242 -8.275 1.00 0.00 H new ATOM 0 HB3 ARG A 9 1.669 4.445 -8.141 1.00 0.00 H new ATOM 0 HG2 ARG A 9 0.748 2.638 -9.156 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -0.192 2.371 -7.701 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -1.980 2.604 -9.131 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -1.725 4.315 -8.853 1.00 0.00 H new ATOM 0 HE ARG A 9 0.010 3.483 -10.995 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -3.432 3.969 -10.293 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -3.849 4.325 -11.972 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -0.527 3.942 -13.166 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -2.198 4.310 -13.605 1.00 0.00 H new ATOM 109 N GLU A 10 2.789 3.731 -6.052 1.00 0.00 N ATOM 110 CA GLU A 10 3.899 2.933 -5.559 1.00 0.00 C ATOM 111 C GLU A 10 3.799 2.766 -4.041 1.00 0.00 C ATOM 112 O GLU A 10 3.881 1.649 -3.530 1.00 0.00 O ATOM 113 CB GLU A 10 5.240 3.555 -5.953 1.00 0.00 C ATOM 114 CG GLU A 10 5.946 2.707 -7.014 1.00 0.00 C ATOM 115 CD GLU A 10 6.974 1.772 -6.373 1.00 0.00 C ATOM 116 OE1 GLU A 10 6.586 1.079 -5.408 1.00 0.00 O ATOM 117 OE2 GLU A 10 8.124 1.773 -6.861 1.00 0.00 O ATOM 0 H GLU A 10 3.059 4.527 -6.629 1.00 0.00 H new ATOM 0 HA GLU A 10 3.844 1.947 -6.019 1.00 0.00 H new ATOM 0 HB2 GLU A 10 5.079 4.563 -6.335 1.00 0.00 H new ATOM 0 HB3 GLU A 10 5.876 3.646 -5.072 1.00 0.00 H new ATOM 0 HG2 GLU A 10 5.210 2.121 -7.565 1.00 0.00 H new ATOM 0 HG3 GLU A 10 6.441 3.358 -7.735 1.00 0.00 H new ATOM 124 N GLN A 11 3.622 3.890 -3.364 1.00 0.00 N ATOM 125 CA GLN A 11 3.508 3.882 -1.915 1.00 0.00 C ATOM 126 C GLN A 11 2.497 2.825 -1.468 1.00 0.00 C ATOM 127 O GLN A 11 2.784 2.021 -0.582 1.00 0.00 O ATOM 128 CB GLN A 11 3.125 5.266 -1.387 1.00 0.00 C ATOM 129 CG GLN A 11 4.190 6.304 -1.747 1.00 0.00 C ATOM 130 CD GLN A 11 4.336 7.347 -0.636 1.00 0.00 C ATOM 131 OE1 GLN A 11 4.902 7.098 0.414 1.00 0.00 O ATOM 132 NE2 GLN A 11 3.792 8.527 -0.928 1.00 0.00 N ATOM 0 H GLN A 11 3.555 4.814 -3.792 1.00 0.00 H new ATOM 0 HA GLN A 11 4.481 3.626 -1.495 1.00 0.00 H new ATOM 0 HB2 GLN A 11 2.164 5.566 -1.805 1.00 0.00 H new ATOM 0 HB3 GLN A 11 3.003 5.225 -0.305 1.00 0.00 H new ATOM 0 HG2 GLN A 11 5.146 5.807 -1.912 1.00 0.00 H new ATOM 0 HG3 GLN A 11 3.921 6.797 -2.681 1.00 0.00 H new ATOM 0 HE21 GLN A 11 3.332 8.668 -1.828 1.00 0.00 H new ATOM 0 HE22 GLN A 11 3.835 9.290 -0.252 1.00 0.00 H new ATOM 141 N VAL A 12 1.333 2.861 -2.100 1.00 0.00 N ATOM 142 CA VAL A 12 0.277 1.916 -1.779 1.00 0.00 C ATOM 143 C VAL A 12 0.767 0.494 -2.062 1.00 0.00 C ATOM 144 O VAL A 12 0.567 -0.409 -1.252 1.00 0.00 O ATOM 145 CB VAL A 12 -0.997 2.272 -2.547 1.00 0.00 C ATOM 146 CG1 VAL A 12 -2.057 1.180 -2.389 1.00 0.00 C ATOM 147 CG2 VAL A 12 -1.542 3.632 -2.103 1.00 0.00 C ATOM 0 H VAL A 12 1.098 3.530 -2.833 1.00 0.00 H new ATOM 0 HA VAL A 12 0.027 1.970 -0.719 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.742 2.341 -3.605 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -2.952 1.459 -2.945 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.669 0.237 -2.775 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.306 1.065 -1.334 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -2.448 3.862 -2.664 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -1.773 3.601 -1.038 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.794 4.402 -2.290 1.00 0.00 H new ATOM 157 N LYS A 13 1.400 0.339 -3.216 1.00 0.00 N ATOM 158 CA LYS A 13 1.920 -0.957 -3.617 1.00 0.00 C ATOM 159 C LYS A 13 2.764 -1.537 -2.480 1.00 0.00 C ATOM 160 O LYS A 13 2.518 -2.653 -2.026 1.00 0.00 O ATOM 161 CB LYS A 13 2.671 -0.846 -4.945 1.00 0.00 C ATOM 162 CG LYS A 13 1.760 -1.202 -6.122 1.00 0.00 C ATOM 163 CD LYS A 13 2.470 -0.967 -7.456 1.00 0.00 C ATOM 164 CE LYS A 13 2.090 0.391 -8.048 1.00 0.00 C ATOM 165 NZ LYS A 13 3.065 0.795 -9.086 1.00 0.00 N ATOM 0 H LYS A 13 1.564 1.090 -3.886 1.00 0.00 H new ATOM 0 HA LYS A 13 1.103 -1.656 -3.797 1.00 0.00 H new ATOM 0 HB2 LYS A 13 3.051 0.168 -5.068 1.00 0.00 H new ATOM 0 HB3 LYS A 13 3.535 -1.511 -4.935 1.00 0.00 H new ATOM 0 HG2 LYS A 13 1.455 -2.246 -6.047 1.00 0.00 H new ATOM 0 HG3 LYS A 13 0.852 -0.601 -6.078 1.00 0.00 H new ATOM 0 HD2 LYS A 13 3.549 -1.015 -7.311 1.00 0.00 H new ATOM 0 HD3 LYS A 13 2.207 -1.759 -8.157 1.00 0.00 H new ATOM 0 HE2 LYS A 13 1.091 0.339 -8.480 1.00 0.00 H new ATOM 0 HE3 LYS A 13 2.058 1.142 -7.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 2.894 1.784 -9.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 4.030 0.701 -8.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 2.957 0.184 -9.921 1.00 0.00 H new ATOM 179 N GLU A 14 3.741 -0.752 -2.052 1.00 0.00 N ATOM 180 CA GLU A 14 4.624 -1.173 -0.977 1.00 0.00 C ATOM 181 C GLU A 14 3.823 -1.407 0.305 1.00 0.00 C ATOM 182 O GLU A 14 4.141 -2.304 1.085 1.00 0.00 O ATOM 183 CB GLU A 14 5.738 -0.150 -0.749 1.00 0.00 C ATOM 184 CG GLU A 14 6.802 -0.244 -1.843 1.00 0.00 C ATOM 185 CD GLU A 14 8.210 -0.177 -1.247 1.00 0.00 C ATOM 186 OE1 GLU A 14 8.458 0.783 -0.486 1.00 0.00 O ATOM 187 OE2 GLU A 14 9.005 -1.088 -1.565 1.00 0.00 O ATOM 0 H GLU A 14 3.941 0.174 -2.430 1.00 0.00 H new ATOM 0 HA GLU A 14 5.094 -2.113 -1.266 1.00 0.00 H new ATOM 0 HB2 GLU A 14 5.316 0.855 -0.733 1.00 0.00 H new ATOM 0 HB3 GLU A 14 6.197 -0.318 0.225 1.00 0.00 H new ATOM 0 HG2 GLU A 14 6.681 -1.177 -2.394 1.00 0.00 H new ATOM 0 HG3 GLU A 14 6.667 0.568 -2.557 1.00 0.00 H new ATOM 194 N LEU A 15 2.798 -0.586 0.484 1.00 0.00 N ATOM 195 CA LEU A 15 1.950 -0.693 1.658 1.00 0.00 C ATOM 196 C LEU A 15 1.365 -2.105 1.734 1.00 0.00 C ATOM 197 O LEU A 15 1.699 -2.871 2.636 1.00 0.00 O ATOM 198 CB LEU A 15 0.890 0.411 1.655 1.00 0.00 C ATOM 199 CG LEU A 15 -0.437 0.069 2.333 1.00 0.00 C ATOM 200 CD1 LEU A 15 -0.289 0.060 3.857 1.00 0.00 C ATOM 201 CD2 LEU A 15 -1.549 1.013 1.872 1.00 0.00 C ATOM 0 H LEU A 15 2.536 0.156 -0.165 1.00 0.00 H new ATOM 0 HA LEU A 15 2.535 -0.541 2.565 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.309 1.291 2.144 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.686 0.688 0.621 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.724 -0.938 2.031 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.247 -0.186 4.314 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.453 -0.685 4.146 1.00 0.00 H new ATOM 0 HD13 LEU A 15 0.033 1.044 4.197 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.482 0.747 2.370 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.283 2.039 2.124 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.676 0.926 0.793 1.00 0.00 H new ATOM 213 N PHE A 16 0.504 -2.406 0.773 1.00 0.00 N ATOM 214 CA PHE A 16 -0.129 -3.713 0.719 1.00 0.00 C ATOM 215 C PHE A 16 0.913 -4.831 0.787 1.00 0.00 C ATOM 216 O PHE A 16 0.687 -5.858 1.426 1.00 0.00 O ATOM 217 CB PHE A 16 -0.864 -3.798 -0.620 1.00 0.00 C ATOM 218 CG PHE A 16 -2.235 -3.118 -0.622 1.00 0.00 C ATOM 219 CD1 PHE A 16 -3.151 -3.431 0.334 1.00 0.00 C ATOM 220 CD2 PHE A 16 -2.538 -2.201 -1.580 1.00 0.00 C ATOM 221 CE1 PHE A 16 -4.422 -2.799 0.333 1.00 0.00 C ATOM 222 CE2 PHE A 16 -3.810 -1.571 -1.581 1.00 0.00 C ATOM 223 CZ PHE A 16 -4.725 -1.883 -0.626 1.00 0.00 C ATOM 0 H PHE A 16 0.230 -1.768 0.026 1.00 0.00 H new ATOM 0 HA PHE A 16 -0.807 -3.833 1.564 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -0.244 -3.344 -1.393 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -0.990 -4.847 -0.888 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -2.911 -4.160 1.094 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -1.811 -1.952 -2.339 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -5.148 -3.045 1.093 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -4.051 -0.843 -2.342 1.00 0.00 H new ATOM 0 HZ PHE A 16 -5.693 -1.404 -0.628 1.00 0.00 H new ATOM 233 N ASN A 17 2.033 -4.593 0.121 1.00 0.00 N ATOM 234 CA ASN A 17 3.111 -5.568 0.098 1.00 0.00 C ATOM 235 C ASN A 17 3.727 -5.673 1.494 1.00 0.00 C ATOM 236 O ASN A 17 4.097 -6.761 1.934 1.00 0.00 O ATOM 237 CB ASN A 17 4.214 -5.146 -0.875 1.00 0.00 C ATOM 238 CG ASN A 17 3.695 -5.118 -2.314 1.00 0.00 C ATOM 239 OD1 ASN A 17 2.509 -4.986 -2.571 1.00 0.00 O ATOM 240 ND2 ASN A 17 4.645 -5.249 -3.235 1.00 0.00 N ATOM 0 H ASN A 17 2.218 -3.740 -0.407 1.00 0.00 H new ATOM 0 HA ASN A 17 2.695 -6.524 -0.221 1.00 0.00 H new ATOM 0 HB2 ASN A 17 4.588 -4.160 -0.600 1.00 0.00 H new ATOM 0 HB3 ASN A 17 5.053 -5.837 -0.801 1.00 0.00 H new ATOM 0 HD21 ASN A 17 4.400 -5.243 -4.225 1.00 0.00 H new ATOM 0 HD22 ASN A 17 5.619 -5.356 -2.951 1.00 0.00 H new ATOM 247 N GLU A 18 3.821 -4.527 2.153 1.00 0.00 N ATOM 248 CA GLU A 18 4.385 -4.477 3.491 1.00 0.00 C ATOM 249 C GLU A 18 3.517 -5.275 4.465 1.00 0.00 C ATOM 250 O GLU A 18 4.032 -6.060 5.261 1.00 0.00 O ATOM 251 CB GLU A 18 4.550 -3.031 3.962 1.00 0.00 C ATOM 252 CG GLU A 18 5.688 -2.335 3.211 1.00 0.00 C ATOM 253 CD GLU A 18 6.950 -2.265 4.073 1.00 0.00 C ATOM 254 OE1 GLU A 18 7.426 -3.350 4.472 1.00 0.00 O ATOM 255 OE2 GLU A 18 7.412 -1.128 4.311 1.00 0.00 O ATOM 0 H GLU A 18 3.516 -3.626 1.785 1.00 0.00 H new ATOM 0 HA GLU A 18 5.375 -4.931 3.463 1.00 0.00 H new ATOM 0 HB2 GLU A 18 3.619 -2.486 3.806 1.00 0.00 H new ATOM 0 HB3 GLU A 18 4.753 -3.015 5.033 1.00 0.00 H new ATOM 0 HG2 GLU A 18 5.903 -2.874 2.288 1.00 0.00 H new ATOM 0 HG3 GLU A 18 5.380 -1.328 2.928 1.00 0.00 H new ATOM 262 N LYS A 19 2.216 -5.049 4.369 1.00 0.00 N ATOM 263 CA LYS A 19 1.270 -5.738 5.231 1.00 0.00 C ATOM 264 C LYS A 19 1.428 -7.249 5.048 1.00 0.00 C ATOM 265 O LYS A 19 1.616 -7.979 6.020 1.00 0.00 O ATOM 266 CB LYS A 19 -0.152 -5.233 4.980 1.00 0.00 C ATOM 267 CG LYS A 19 -0.277 -3.751 5.339 1.00 0.00 C ATOM 268 CD LYS A 19 -0.312 -3.555 6.856 1.00 0.00 C ATOM 269 CE LYS A 19 0.004 -2.104 7.229 1.00 0.00 C ATOM 270 NZ LYS A 19 0.769 -2.050 8.494 1.00 0.00 N ATOM 0 H LYS A 19 1.794 -4.398 3.707 1.00 0.00 H new ATOM 0 HA LYS A 19 1.480 -5.519 6.278 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -0.415 -5.381 3.933 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -0.859 -5.815 5.571 1.00 0.00 H new ATOM 0 HG2 LYS A 19 0.563 -3.199 4.917 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -1.184 -3.341 4.895 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -1.296 -3.827 7.239 1.00 0.00 H new ATOM 0 HD3 LYS A 19 0.409 -4.221 7.329 1.00 0.00 H new ATOM 0 HE2 LYS A 19 0.577 -1.633 6.430 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -0.922 -1.539 7.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 0.975 -1.059 8.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 0.209 -2.481 9.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 1.661 -2.572 8.383 1.00 0.00 H new ATOM 284 N TYR A 20 1.344 -7.674 3.796 1.00 0.00 N ATOM 285 CA TYR A 20 1.474 -9.083 3.472 1.00 0.00 C ATOM 286 C TYR A 20 2.678 -9.701 4.187 1.00 0.00 C ATOM 287 O TYR A 20 2.553 -10.738 4.836 1.00 0.00 O ATOM 288 CB TYR A 20 1.704 -9.151 1.962 1.00 0.00 C ATOM 289 CG TYR A 20 1.261 -10.469 1.323 1.00 0.00 C ATOM 290 CD1 TYR A 20 0.001 -10.970 1.577 1.00 0.00 C ATOM 291 CD2 TYR A 20 2.123 -11.157 0.492 1.00 0.00 C ATOM 292 CE1 TYR A 20 -0.416 -12.210 0.976 1.00 0.00 C ATOM 293 CE2 TYR A 20 1.706 -12.397 -0.109 1.00 0.00 C ATOM 294 CZ TYR A 20 0.457 -12.863 0.162 1.00 0.00 C ATOM 295 OH TYR A 20 0.064 -14.035 -0.405 1.00 0.00 O ATOM 0 H TYR A 20 1.187 -7.065 2.993 1.00 0.00 H new ATOM 0 HA TYR A 20 0.585 -9.631 3.784 1.00 0.00 H new ATOM 0 HB2 TYR A 20 1.168 -8.330 1.486 1.00 0.00 H new ATOM 0 HB3 TYR A 20 2.764 -8.999 1.759 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -0.673 -10.432 2.227 1.00 0.00 H new ATOM 0 HD2 TYR A 20 3.110 -10.765 0.293 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -1.400 -12.613 1.167 1.00 0.00 H new ATOM 0 HE2 TYR A 20 2.370 -12.945 -0.761 1.00 0.00 H new ATOM 0 HH TYR A 20 -0.908 -14.128 -0.323 1.00 0.00 H new ATOM 305 N GLY A 21 3.815 -9.037 4.043 1.00 0.00 N ATOM 306 CA GLY A 21 5.040 -9.507 4.668 1.00 0.00 C ATOM 307 C GLY A 21 4.826 -9.782 6.157 1.00 0.00 C ATOM 308 O GLY A 21 5.087 -10.886 6.632 1.00 0.00 O ATOM 0 H GLY A 21 3.914 -8.177 3.503 1.00 0.00 H new ATOM 0 HA2 GLY A 21 5.380 -10.416 4.172 1.00 0.00 H new ATOM 0 HA3 GLY A 21 5.826 -8.762 4.541 1.00 0.00 H new ATOM 312 N GLU A 22 4.354 -8.758 6.853 1.00 0.00 N ATOM 313 CA GLU A 22 4.101 -8.875 8.279 1.00 0.00 C ATOM 314 C GLU A 22 3.100 -9.999 8.552 1.00 0.00 C ATOM 315 O GLU A 22 3.269 -10.772 9.493 1.00 0.00 O ATOM 316 CB GLU A 22 3.608 -7.549 8.860 1.00 0.00 C ATOM 317 CG GLU A 22 4.561 -6.406 8.503 1.00 0.00 C ATOM 318 CD GLU A 22 4.760 -5.466 9.696 1.00 0.00 C ATOM 319 OE1 GLU A 22 4.969 -5.997 10.807 1.00 0.00 O ATOM 320 OE2 GLU A 22 4.700 -4.240 9.467 1.00 0.00 O ATOM 0 H GLU A 22 4.140 -7.843 6.456 1.00 0.00 H new ATOM 0 HA GLU A 22 5.040 -9.124 8.774 1.00 0.00 H new ATOM 0 HB2 GLU A 22 2.611 -7.329 8.478 1.00 0.00 H new ATOM 0 HB3 GLU A 22 3.523 -7.632 9.944 1.00 0.00 H new ATOM 0 HG2 GLU A 22 5.523 -6.813 8.192 1.00 0.00 H new ATOM 0 HG3 GLU A 22 4.163 -5.846 7.657 1.00 0.00 H new ATOM 327 N ALA A 23 2.079 -10.055 7.709 1.00 0.00 N ATOM 328 CA ALA A 23 1.049 -11.071 7.847 1.00 0.00 C ATOM 329 C ALA A 23 1.671 -12.453 7.629 1.00 0.00 C ATOM 330 O ALA A 23 1.292 -13.418 8.291 1.00 0.00 O ATOM 331 CB ALA A 23 -0.087 -10.782 6.864 1.00 0.00 C ATOM 0 H ALA A 23 1.943 -9.413 6.928 1.00 0.00 H new ATOM 0 HA ALA A 23 0.624 -11.054 8.851 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -0.860 -11.544 6.967 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -0.513 -9.802 7.078 1.00 0.00 H new ATOM 0 HB3 ALA A 23 0.301 -10.794 5.846 1.00 0.00 H new ATOM 337 N LEU A 24 2.615 -12.502 6.701 1.00 0.00 N ATOM 338 CA LEU A 24 3.293 -13.749 6.388 1.00 0.00 C ATOM 339 C LEU A 24 4.225 -14.121 7.543 1.00 0.00 C ATOM 340 O LEU A 24 4.809 -15.203 7.551 1.00 0.00 O ATOM 341 CB LEU A 24 3.998 -13.651 5.036 1.00 0.00 C ATOM 342 CG LEU A 24 3.133 -13.934 3.805 1.00 0.00 C ATOM 343 CD1 LEU A 24 3.803 -13.410 2.533 1.00 0.00 C ATOM 344 CD2 LEU A 24 2.793 -15.422 3.704 1.00 0.00 C ATOM 0 H LEU A 24 2.927 -11.698 6.155 1.00 0.00 H new ATOM 0 HA LEU A 24 2.572 -14.560 6.286 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.416 -12.649 4.939 1.00 0.00 H new ATOM 0 HB3 LEU A 24 4.836 -14.348 5.034 1.00 0.00 H new ATOM 0 HG LEU A 24 2.191 -13.397 3.917 1.00 0.00 H new ATOM 0 HD11 LEU A 24 3.168 -13.624 1.673 1.00 0.00 H new ATOM 0 HD12 LEU A 24 3.951 -12.333 2.617 1.00 0.00 H new ATOM 0 HD13 LEU A 24 4.768 -13.899 2.402 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.178 -15.596 2.821 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.713 -16.001 3.625 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.245 -15.731 4.594 1.00 0.00 H new ATOM 356 N GLY A 25 4.336 -13.202 8.491 1.00 0.00 N ATOM 357 CA GLY A 25 5.188 -13.419 9.649 1.00 0.00 C ATOM 358 C GLY A 25 6.657 -13.177 9.301 1.00 0.00 C ATOM 359 O GLY A 25 7.551 -13.606 10.030 1.00 0.00 O ATOM 0 H GLY A 25 3.850 -12.305 8.481 1.00 0.00 H new ATOM 0 HA2 GLY A 25 4.887 -12.752 10.457 1.00 0.00 H new ATOM 0 HA3 GLY A 25 5.060 -14.438 10.013 1.00 0.00 H new ATOM 363 N LEU A 26 6.863 -12.491 8.186 1.00 0.00 N ATOM 364 CA LEU A 26 8.210 -12.186 7.732 1.00 0.00 C ATOM 365 C LEU A 26 8.599 -10.786 8.208 1.00 0.00 C ATOM 366 O LEU A 26 7.835 -10.132 8.916 1.00 0.00 O ATOM 367 CB LEU A 26 8.320 -12.374 6.218 1.00 0.00 C ATOM 368 CG LEU A 26 7.557 -13.565 5.632 1.00 0.00 C ATOM 369 CD1 LEU A 26 7.741 -13.641 4.115 1.00 0.00 C ATOM 370 CD2 LEU A 26 7.959 -14.868 6.325 1.00 0.00 C ATOM 0 H LEU A 26 6.120 -12.138 7.583 1.00 0.00 H new ATOM 0 HA LEU A 26 8.926 -12.882 8.169 1.00 0.00 H new ATOM 0 HB2 LEU A 26 7.964 -11.465 5.732 1.00 0.00 H new ATOM 0 HB3 LEU A 26 9.374 -12.481 5.961 1.00 0.00 H new ATOM 0 HG LEU A 26 6.494 -13.416 5.820 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.189 -14.496 3.724 1.00 0.00 H new ATOM 0 HD12 LEU A 26 7.366 -12.726 3.657 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.800 -13.756 3.882 1.00 0.00 H new ATOM 0 HD21 LEU A 26 7.403 -15.698 5.890 1.00 0.00 H new ATOM 0 HD22 LEU A 26 9.027 -15.037 6.190 1.00 0.00 H new ATOM 0 HD23 LEU A 26 7.734 -14.799 7.389 1.00 0.00 H new ATOM 382 N ASN A 27 9.788 -10.366 7.799 1.00 0.00 N ATOM 383 CA ASN A 27 10.288 -9.054 8.175 1.00 0.00 C ATOM 384 C ASN A 27 10.593 -8.248 6.910 1.00 0.00 C ATOM 385 O ASN A 27 11.384 -7.307 6.945 1.00 0.00 O ATOM 386 CB ASN A 27 11.580 -9.169 8.986 1.00 0.00 C ATOM 387 CG ASN A 27 11.471 -8.399 10.304 1.00 0.00 C ATOM 388 OD1 ASN A 27 11.939 -7.282 10.440 1.00 0.00 O ATOM 389 ND2 ASN A 27 10.827 -9.059 11.263 1.00 0.00 N ATOM 0 H ASN A 27 10.419 -10.911 7.211 1.00 0.00 H new ATOM 0 HA ASN A 27 9.526 -8.562 8.780 1.00 0.00 H new ATOM 0 HB2 ASN A 27 11.793 -10.218 9.190 1.00 0.00 H new ATOM 0 HB3 ASN A 27 12.415 -8.782 8.403 1.00 0.00 H new ATOM 0 HD21 ASN A 27 10.700 -8.631 12.180 1.00 0.00 H new ATOM 0 HD22 ASN A 27 10.460 -9.993 11.081 1.00 0.00 H new ATOM 396 N ARG A 28 9.949 -8.647 5.823 1.00 0.00 N ATOM 397 CA ARG A 28 10.140 -7.973 4.551 1.00 0.00 C ATOM 398 C ARG A 28 8.818 -7.894 3.786 1.00 0.00 C ATOM 399 O ARG A 28 7.938 -8.733 3.974 1.00 0.00 O ATOM 400 CB ARG A 28 11.175 -8.704 3.692 1.00 0.00 C ATOM 401 CG ARG A 28 10.864 -10.200 3.612 1.00 0.00 C ATOM 402 CD ARG A 28 10.874 -10.685 2.161 1.00 0.00 C ATOM 403 NE ARG A 28 10.454 -12.103 2.100 1.00 0.00 N ATOM 404 CZ ARG A 28 10.025 -12.712 0.985 1.00 0.00 C ATOM 405 NH1 ARG A 28 9.955 -12.030 -0.166 1.00 0.00 N ATOM 406 NH2 ARG A 28 9.665 -14.001 1.022 1.00 0.00 N ATOM 0 H ARG A 28 9.294 -9.429 5.797 1.00 0.00 H new ATOM 0 HA ARG A 28 10.502 -6.966 4.761 1.00 0.00 H new ATOM 0 HB2 ARG A 28 11.187 -8.277 2.689 1.00 0.00 H new ATOM 0 HB3 ARG A 28 12.170 -8.558 4.112 1.00 0.00 H new ATOM 0 HG2 ARG A 28 11.599 -10.759 4.191 1.00 0.00 H new ATOM 0 HG3 ARG A 28 9.889 -10.397 4.058 1.00 0.00 H new ATOM 0 HD2 ARG A 28 10.203 -10.072 1.559 1.00 0.00 H new ATOM 0 HD3 ARG A 28 11.873 -10.574 1.738 1.00 0.00 H new ATOM 0 HE ARG A 28 10.493 -12.651 2.959 1.00 0.00 H new ATOM 0 HH11 ARG A 28 10.228 -11.048 -0.194 1.00 0.00 H new ATOM 0 HH12 ARG A 28 9.629 -12.493 -1.014 1.00 0.00 H new ATOM 0 HH21 ARG A 28 9.717 -14.520 1.899 1.00 0.00 H new ATOM 0 HH22 ARG A 28 9.339 -14.464 0.174 1.00 0.00 H new ATOM 420 N PRO A 29 8.716 -6.852 2.918 1.00 0.00 N ATOM 421 CA PRO A 29 7.515 -6.653 2.125 1.00 0.00 C ATOM 422 C PRO A 29 7.444 -7.661 0.977 1.00 0.00 C ATOM 423 O PRO A 29 8.442 -7.915 0.306 1.00 0.00 O ATOM 424 CB PRO A 29 7.595 -5.212 1.647 1.00 0.00 C ATOM 425 CG PRO A 29 9.050 -4.802 1.799 1.00 0.00 C ATOM 426 CD PRO A 29 9.738 -5.840 2.670 1.00 0.00 C ATOM 0 HA PRO A 29 6.601 -6.820 2.695 1.00 0.00 H new ATOM 0 HB2 PRO A 29 7.272 -5.126 0.610 1.00 0.00 H new ATOM 0 HB3 PRO A 29 6.944 -4.568 2.238 1.00 0.00 H new ATOM 0 HG2 PRO A 29 9.533 -4.741 0.824 1.00 0.00 H new ATOM 0 HG3 PRO A 29 9.123 -3.814 2.253 1.00 0.00 H new ATOM 0 HD2 PRO A 29 10.605 -6.268 2.166 1.00 0.00 H new ATOM 0 HD3 PRO A 29 10.095 -5.401 3.602 1.00 0.00 H new ATOM 434 N VAL A 30 6.252 -8.208 0.786 1.00 0.00 N ATOM 435 CA VAL A 30 6.036 -9.183 -0.270 1.00 0.00 C ATOM 436 C VAL A 30 4.781 -8.806 -1.058 1.00 0.00 C ATOM 437 O VAL A 30 3.795 -8.349 -0.481 1.00 0.00 O ATOM 438 CB VAL A 30 5.969 -10.591 0.325 1.00 0.00 C ATOM 439 CG1 VAL A 30 5.577 -11.617 -0.740 1.00 0.00 C ATOM 440 CG2 VAL A 30 7.294 -10.970 0.989 1.00 0.00 C ATOM 0 H VAL A 30 5.426 -7.994 1.345 1.00 0.00 H new ATOM 0 HA VAL A 30 6.871 -9.180 -0.970 1.00 0.00 H new ATOM 0 HB VAL A 30 5.197 -10.593 1.094 1.00 0.00 H new ATOM 0 HG11 VAL A 30 5.536 -12.610 -0.291 1.00 0.00 H new ATOM 0 HG12 VAL A 30 4.599 -11.363 -1.148 1.00 0.00 H new ATOM 0 HG13 VAL A 30 6.316 -11.611 -1.541 1.00 0.00 H new ATOM 0 HG21 VAL A 30 7.219 -11.975 1.404 1.00 0.00 H new ATOM 0 HG22 VAL A 30 8.093 -10.942 0.248 1.00 0.00 H new ATOM 0 HG23 VAL A 30 7.515 -10.263 1.789 1.00 0.00 H new ATOM 450 N LEU A 31 4.856 -9.012 -2.364 1.00 0.00 N ATOM 451 CA LEU A 31 3.737 -8.699 -3.237 1.00 0.00 C ATOM 452 C LEU A 31 2.500 -9.469 -2.769 1.00 0.00 C ATOM 453 O LEU A 31 2.619 -10.527 -2.154 1.00 0.00 O ATOM 454 CB LEU A 31 4.108 -8.961 -4.698 1.00 0.00 C ATOM 455 CG LEU A 31 4.803 -7.811 -5.431 1.00 0.00 C ATOM 456 CD1 LEU A 31 5.645 -8.333 -6.596 1.00 0.00 C ATOM 457 CD2 LEU A 31 3.790 -6.758 -5.882 1.00 0.00 C ATOM 0 H LEU A 31 5.674 -9.392 -2.840 1.00 0.00 H new ATOM 0 HA LEU A 31 3.494 -7.638 -3.179 1.00 0.00 H new ATOM 0 HB2 LEU A 31 4.758 -9.835 -4.736 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.199 -9.216 -5.243 1.00 0.00 H new ATOM 0 HG LEU A 31 5.485 -7.324 -4.734 1.00 0.00 H new ATOM 0 HD11 LEU A 31 6.128 -7.496 -7.100 1.00 0.00 H new ATOM 0 HD12 LEU A 31 6.405 -9.016 -6.218 1.00 0.00 H new ATOM 0 HD13 LEU A 31 5.003 -8.860 -7.302 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.309 -5.952 -6.400 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.066 -7.215 -6.556 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.272 -6.355 -5.012 1.00 0.00 H new ATOM 469 N VAL A 32 1.341 -8.907 -3.079 1.00 0.00 N ATOM 470 CA VAL A 32 0.083 -9.527 -2.698 1.00 0.00 C ATOM 471 C VAL A 32 -0.534 -10.211 -3.919 1.00 0.00 C ATOM 472 O VAL A 32 -0.837 -9.555 -4.915 1.00 0.00 O ATOM 473 CB VAL A 32 -0.842 -8.486 -2.064 1.00 0.00 C ATOM 474 CG1 VAL A 32 -2.235 -9.069 -1.818 1.00 0.00 C ATOM 475 CG2 VAL A 32 -0.242 -7.934 -0.769 1.00 0.00 C ATOM 0 H VAL A 32 1.246 -8.029 -3.590 1.00 0.00 H new ATOM 0 HA VAL A 32 0.249 -10.297 -1.944 1.00 0.00 H new ATOM 0 HB VAL A 32 -0.944 -7.657 -2.765 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -2.873 -8.309 -1.367 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -2.668 -9.390 -2.766 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -2.158 -9.924 -1.146 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -0.920 -7.196 -0.339 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.095 -8.749 -0.060 1.00 0.00 H new ATOM 0 HG23 VAL A 32 0.717 -7.463 -0.984 1.00 0.00 H new ATOM 485 N PRO A 33 -0.706 -11.555 -3.799 1.00 0.00 N ATOM 486 CA PRO A 33 -1.281 -12.335 -4.882 1.00 0.00 C ATOM 487 C PRO A 33 -2.793 -12.114 -4.973 1.00 0.00 C ATOM 488 O PRO A 33 -3.573 -13.042 -4.761 1.00 0.00 O ATOM 489 CB PRO A 33 -0.909 -13.775 -4.570 1.00 0.00 C ATOM 490 CG PRO A 33 -0.543 -13.801 -3.094 1.00 0.00 C ATOM 491 CD PRO A 33 -0.358 -12.364 -2.635 1.00 0.00 C ATOM 0 HA PRO A 33 -0.900 -12.042 -5.860 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -1.742 -14.447 -4.778 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -0.072 -14.104 -5.186 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -1.327 -14.289 -2.515 1.00 0.00 H new ATOM 0 HG3 PRO A 33 0.372 -14.373 -2.937 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -1.002 -12.134 -1.786 1.00 0.00 H new ATOM 0 HD3 PRO A 33 0.668 -12.179 -2.317 1.00 0.00 H new ATOM 499 N TYR A 34 -3.161 -10.881 -5.288 1.00 0.00 N ATOM 500 CA TYR A 34 -4.565 -10.527 -5.409 1.00 0.00 C ATOM 501 C TYR A 34 -5.298 -11.502 -6.334 1.00 0.00 C ATOM 502 O TYR A 34 -6.417 -11.920 -6.040 1.00 0.00 O ATOM 503 CB TYR A 34 -4.596 -9.131 -6.033 1.00 0.00 C ATOM 504 CG TYR A 34 -3.886 -8.062 -5.200 1.00 0.00 C ATOM 505 CD1 TYR A 34 -4.552 -7.439 -4.164 1.00 0.00 C ATOM 506 CD2 TYR A 34 -2.579 -7.721 -5.484 1.00 0.00 C ATOM 507 CE1 TYR A 34 -3.884 -6.433 -3.380 1.00 0.00 C ATOM 508 CE2 TYR A 34 -1.911 -6.715 -4.699 1.00 0.00 C ATOM 509 CZ TYR A 34 -2.596 -6.120 -3.686 1.00 0.00 C ATOM 510 OH TYR A 34 -1.965 -5.170 -2.945 1.00 0.00 O ATOM 0 H TYR A 34 -2.511 -10.115 -5.463 1.00 0.00 H new ATOM 0 HA TYR A 34 -5.055 -10.561 -4.436 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -4.134 -9.175 -7.019 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -5.634 -8.833 -6.180 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -5.574 -7.706 -3.941 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -2.057 -8.208 -6.294 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -4.394 -5.938 -2.567 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -0.888 -6.439 -4.910 1.00 0.00 H new ATOM 0 HH TYR A 34 -2.629 -4.646 -2.450 1.00 0.00 H new ATOM 520 N LYS A 35 -4.638 -11.834 -7.433 1.00 0.00 N ATOM 521 CA LYS A 35 -5.212 -12.752 -8.403 1.00 0.00 C ATOM 522 C LYS A 35 -5.758 -13.981 -7.674 1.00 0.00 C ATOM 523 O LYS A 35 -6.850 -14.455 -7.981 1.00 0.00 O ATOM 524 CB LYS A 35 -4.193 -13.086 -9.493 1.00 0.00 C ATOM 525 CG LYS A 35 -4.744 -12.752 -10.881 1.00 0.00 C ATOM 526 CD LYS A 35 -3.806 -13.254 -11.980 1.00 0.00 C ATOM 527 CE LYS A 35 -4.356 -12.915 -13.367 1.00 0.00 C ATOM 528 NZ LYS A 35 -3.460 -13.441 -14.422 1.00 0.00 N ATOM 0 H LYS A 35 -3.711 -11.484 -7.674 1.00 0.00 H new ATOM 0 HA LYS A 35 -6.053 -12.286 -8.917 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -3.273 -12.528 -9.319 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -3.937 -14.144 -9.445 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -5.728 -13.204 -11.004 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -4.875 -11.674 -10.974 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -2.821 -12.804 -11.856 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -3.678 -14.333 -11.889 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -5.353 -13.340 -13.483 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -4.456 -11.835 -13.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -3.847 -13.203 -15.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -2.516 -13.016 -14.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -3.386 -14.474 -14.331 1.00 0.00 H new ATOM 542 N LEU A 36 -4.973 -14.463 -6.721 1.00 0.00 N ATOM 543 CA LEU A 36 -5.364 -15.627 -5.947 1.00 0.00 C ATOM 544 C LEU A 36 -6.460 -15.230 -4.956 1.00 0.00 C ATOM 545 O LEU A 36 -7.594 -15.697 -5.058 1.00 0.00 O ATOM 546 CB LEU A 36 -4.141 -16.267 -5.287 1.00 0.00 C ATOM 547 CG LEU A 36 -3.162 -16.970 -6.229 1.00 0.00 C ATOM 548 CD1 LEU A 36 -1.872 -17.347 -5.497 1.00 0.00 C ATOM 549 CD2 LEU A 36 -3.816 -18.181 -6.898 1.00 0.00 C ATOM 0 H LEU A 36 -4.068 -14.067 -6.468 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.784 -16.394 -6.598 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.599 -15.493 -4.744 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -4.488 -16.991 -4.549 1.00 0.00 H new ATOM 0 HG LEU A 36 -2.891 -16.272 -7.022 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.193 -17.845 -6.189 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -1.397 -16.446 -5.109 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -2.105 -18.019 -4.671 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -3.098 -18.662 -7.562 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.135 -18.890 -6.134 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -4.681 -17.855 -7.475 1.00 0.00 H new ATOM 561 N ILE A 37 -6.084 -14.373 -4.018 1.00 0.00 N ATOM 562 CA ILE A 37 -7.021 -13.908 -3.010 1.00 0.00 C ATOM 563 C ILE A 37 -8.379 -13.644 -3.664 1.00 0.00 C ATOM 564 O ILE A 37 -9.421 -13.917 -3.070 1.00 0.00 O ATOM 565 CB ILE A 37 -6.451 -12.698 -2.266 1.00 0.00 C ATOM 566 CG1 ILE A 37 -5.123 -13.045 -1.592 1.00 0.00 C ATOM 567 CG2 ILE A 37 -7.469 -12.137 -1.272 1.00 0.00 C ATOM 568 CD1 ILE A 37 -4.113 -11.906 -1.748 1.00 0.00 C ATOM 0 H ILE A 37 -5.143 -13.989 -3.935 1.00 0.00 H new ATOM 0 HA ILE A 37 -7.176 -14.676 -2.252 1.00 0.00 H new ATOM 0 HB ILE A 37 -6.247 -11.914 -2.995 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -5.290 -13.245 -0.534 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -4.717 -13.958 -2.029 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -7.039 -11.278 -0.757 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -8.367 -11.827 -1.807 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -7.727 -12.905 -0.543 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -3.178 -12.180 -1.259 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -3.930 -11.725 -2.807 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -4.511 -11.001 -1.289 1.00 0.00 H new ATOM 580 N ARG A 38 -8.322 -13.116 -4.877 1.00 0.00 N ATOM 581 CA ARG A 38 -9.534 -12.813 -5.619 1.00 0.00 C ATOM 582 C ARG A 38 -10.382 -14.075 -5.791 1.00 0.00 C ATOM 583 O ARG A 38 -11.569 -14.078 -5.472 1.00 0.00 O ATOM 584 CB ARG A 38 -9.206 -12.234 -6.998 1.00 0.00 C ATOM 585 CG ARG A 38 -10.478 -11.776 -7.715 1.00 0.00 C ATOM 586 CD ARG A 38 -10.799 -10.318 -7.384 1.00 0.00 C ATOM 587 NE ARG A 38 -11.008 -9.549 -8.631 1.00 0.00 N ATOM 588 CZ ARG A 38 -10.020 -8.982 -9.337 1.00 0.00 C ATOM 589 NH1 ARG A 38 -8.751 -9.093 -8.923 1.00 0.00 N ATOM 590 NH2 ARG A 38 -10.302 -8.303 -10.457 1.00 0.00 N ATOM 0 H ARG A 38 -7.455 -12.890 -5.365 1.00 0.00 H new ATOM 0 HA ARG A 38 -10.094 -12.071 -5.050 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -8.522 -11.393 -6.890 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -8.695 -12.985 -7.600 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -10.353 -11.889 -8.792 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -11.314 -12.412 -7.422 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -11.692 -10.266 -6.761 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -9.984 -9.879 -6.809 1.00 0.00 H new ATOM 0 HE ARG A 38 -11.963 -9.444 -8.974 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -8.536 -9.609 -8.070 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -7.999 -8.661 -9.461 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -11.268 -8.218 -10.772 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -9.550 -7.871 -10.995 1.00 0.00 H new ATOM 604 N ASP A 39 -9.737 -15.116 -6.297 1.00 0.00 N ATOM 605 CA ASP A 39 -10.417 -16.382 -6.516 1.00 0.00 C ATOM 606 C ASP A 39 -10.622 -17.084 -5.172 1.00 0.00 C ATOM 607 O ASP A 39 -11.639 -17.744 -4.962 1.00 0.00 O ATOM 608 CB ASP A 39 -9.588 -17.305 -7.410 1.00 0.00 C ATOM 609 CG ASP A 39 -10.346 -18.504 -7.983 1.00 0.00 C ATOM 610 OD1 ASP A 39 -11.132 -18.279 -8.929 1.00 0.00 O ATOM 611 OD2 ASP A 39 -10.124 -19.618 -7.462 1.00 0.00 O ATOM 0 H ASP A 39 -8.752 -15.109 -6.561 1.00 0.00 H new ATOM 0 HA ASP A 39 -11.371 -16.173 -7.000 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -9.186 -16.720 -8.237 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -8.737 -17.673 -6.837 1.00 0.00 H new ATOM 616 N SER A 40 -9.640 -16.920 -4.299 1.00 0.00 N ATOM 617 CA SER A 40 -9.700 -17.531 -2.981 1.00 0.00 C ATOM 618 C SER A 40 -9.843 -16.449 -1.909 1.00 0.00 C ATOM 619 O SER A 40 -8.856 -15.839 -1.502 1.00 0.00 O ATOM 620 CB SER A 40 -8.458 -18.383 -2.712 1.00 0.00 C ATOM 621 OG SER A 40 -8.428 -18.875 -1.375 1.00 0.00 O ATOM 0 H SER A 40 -8.798 -16.373 -4.478 1.00 0.00 H new ATOM 0 HA SER A 40 -10.571 -18.185 -2.947 1.00 0.00 H new ATOM 0 HB2 SER A 40 -8.436 -19.222 -3.408 1.00 0.00 H new ATOM 0 HB3 SER A 40 -7.563 -17.789 -2.900 1.00 0.00 H new ATOM 0 HG SER A 40 -7.713 -19.540 -1.287 1.00 0.00 H new ATOM 627 N PRO A 41 -11.114 -16.238 -1.471 1.00 0.00 N ATOM 628 CA PRO A 41 -11.400 -15.241 -0.454 1.00 0.00 C ATOM 629 C PRO A 41 -10.966 -15.729 0.929 1.00 0.00 C ATOM 630 O PRO A 41 -10.847 -14.936 1.862 1.00 0.00 O ATOM 631 CB PRO A 41 -12.896 -14.994 -0.556 1.00 0.00 C ATOM 632 CG PRO A 41 -13.467 -16.189 -1.300 1.00 0.00 C ATOM 633 CD PRO A 41 -12.307 -16.943 -1.931 1.00 0.00 C ATOM 0 HA PRO A 41 -10.846 -14.314 -0.605 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -13.344 -14.899 0.433 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -13.103 -14.067 -1.090 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -14.017 -16.837 -0.617 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -14.171 -15.862 -2.065 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -12.296 -17.987 -1.618 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -12.376 -16.937 -3.019 1.00 0.00 H new ATOM 641 N ASP A 42 -10.744 -17.031 1.019 1.00 0.00 N ATOM 642 CA ASP A 42 -10.326 -17.635 2.273 1.00 0.00 C ATOM 643 C ASP A 42 -8.834 -17.963 2.205 1.00 0.00 C ATOM 644 O ASP A 42 -8.424 -19.078 2.523 1.00 0.00 O ATOM 645 CB ASP A 42 -11.084 -18.937 2.538 1.00 0.00 C ATOM 646 CG ASP A 42 -11.158 -19.357 4.007 1.00 0.00 C ATOM 647 OD1 ASP A 42 -11.507 -18.483 4.830 1.00 0.00 O ATOM 648 OD2 ASP A 42 -10.862 -20.541 4.274 1.00 0.00 O ATOM 0 H ASP A 42 -10.846 -17.686 0.244 1.00 0.00 H new ATOM 0 HA ASP A 42 -10.536 -16.926 3.074 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -12.099 -18.833 2.154 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -10.609 -19.738 1.971 1.00 0.00 H new ATOM 653 N ALA A 43 -8.061 -16.971 1.788 1.00 0.00 N ATOM 654 CA ALA A 43 -6.622 -17.139 1.674 1.00 0.00 C ATOM 655 C ALA A 43 -5.920 -16.122 2.575 1.00 0.00 C ATOM 656 O ALA A 43 -5.076 -16.488 3.391 1.00 0.00 O ATOM 657 CB ALA A 43 -6.207 -17.003 0.208 1.00 0.00 C ATOM 0 H ALA A 43 -8.404 -16.047 1.525 1.00 0.00 H new ATOM 0 HA ALA A 43 -6.325 -18.134 2.007 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -5.128 -17.129 0.122 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -6.710 -17.767 -0.385 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -6.487 -16.016 -0.159 1.00 0.00 H new ATOM 663 N VAL A 44 -6.296 -14.863 2.398 1.00 0.00 N ATOM 664 CA VAL A 44 -5.713 -13.790 3.186 1.00 0.00 C ATOM 665 C VAL A 44 -6.814 -12.812 3.601 1.00 0.00 C ATOM 666 O VAL A 44 -7.719 -12.524 2.820 1.00 0.00 O ATOM 667 CB VAL A 44 -4.582 -13.121 2.402 1.00 0.00 C ATOM 668 CG1 VAL A 44 -4.145 -11.818 3.075 1.00 0.00 C ATOM 669 CG2 VAL A 44 -3.397 -14.072 2.229 1.00 0.00 C ATOM 0 H VAL A 44 -6.997 -14.562 1.721 1.00 0.00 H new ATOM 0 HA VAL A 44 -5.268 -14.184 4.100 1.00 0.00 H new ATOM 0 HB VAL A 44 -4.962 -12.876 1.410 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.340 -11.363 2.498 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -4.991 -11.132 3.123 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -3.793 -12.030 4.084 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -2.608 -13.571 1.668 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.018 -14.363 3.209 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.720 -14.961 1.686 1.00 0.00 H new ATOM 679 N GLU A 45 -6.700 -12.328 4.828 1.00 0.00 N ATOM 680 CA GLU A 45 -7.674 -11.388 5.356 1.00 0.00 C ATOM 681 C GLU A 45 -7.120 -9.963 5.301 1.00 0.00 C ATOM 682 O GLU A 45 -6.013 -9.705 5.767 1.00 0.00 O ATOM 683 CB GLU A 45 -8.080 -11.763 6.783 1.00 0.00 C ATOM 684 CG GLU A 45 -8.624 -10.547 7.536 1.00 0.00 C ATOM 685 CD GLU A 45 -9.393 -10.976 8.787 1.00 0.00 C ATOM 686 OE1 GLU A 45 -10.356 -11.755 8.623 1.00 0.00 O ATOM 687 OE2 GLU A 45 -8.998 -10.515 9.881 1.00 0.00 O ATOM 0 H GLU A 45 -5.947 -12.569 5.473 1.00 0.00 H new ATOM 0 HA GLU A 45 -8.568 -11.434 4.735 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -8.837 -12.547 6.755 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -7.220 -12.169 7.315 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -7.800 -9.891 7.818 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -9.279 -9.972 6.881 1.00 0.00 H new ATOM 694 N VAL A 46 -7.919 -9.075 4.725 1.00 0.00 N ATOM 695 CA VAL A 46 -7.523 -7.683 4.602 1.00 0.00 C ATOM 696 C VAL A 46 -8.492 -6.808 5.401 1.00 0.00 C ATOM 697 O VAL A 46 -9.699 -6.842 5.169 1.00 0.00 O ATOM 698 CB VAL A 46 -7.443 -7.290 3.125 1.00 0.00 C ATOM 699 CG1 VAL A 46 -7.268 -5.777 2.968 1.00 0.00 C ATOM 700 CG2 VAL A 46 -6.319 -8.048 2.417 1.00 0.00 C ATOM 0 H VAL A 46 -8.838 -9.293 4.339 1.00 0.00 H new ATOM 0 HA VAL A 46 -6.528 -7.531 5.020 1.00 0.00 H new ATOM 0 HB VAL A 46 -8.385 -7.569 2.653 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -7.214 -5.525 1.909 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -8.117 -5.264 3.420 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -6.349 -5.464 3.463 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -6.284 -7.751 1.369 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -5.367 -7.814 2.893 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -6.505 -9.120 2.484 1.00 0.00 H new ATOM 710 N THR A 47 -7.926 -6.047 6.326 1.00 0.00 N ATOM 711 CA THR A 47 -8.725 -5.167 7.162 1.00 0.00 C ATOM 712 C THR A 47 -7.984 -3.852 7.411 1.00 0.00 C ATOM 713 O THR A 47 -6.816 -3.715 7.050 1.00 0.00 O ATOM 714 CB THR A 47 -9.075 -5.921 8.446 1.00 0.00 C ATOM 715 OG1 THR A 47 -7.895 -6.663 8.745 1.00 0.00 O ATOM 716 CG2 THR A 47 -10.143 -6.994 8.223 1.00 0.00 C ATOM 0 H THR A 47 -6.924 -6.021 6.515 1.00 0.00 H new ATOM 0 HA THR A 47 -9.657 -4.891 6.668 1.00 0.00 H new ATOM 0 HB THR A 47 -9.423 -5.214 9.199 1.00 0.00 H new ATOM 0 HG1 THR A 47 -8.033 -7.181 9.565 1.00 0.00 H new ATOM 0 HG21 THR A 47 -10.354 -7.499 9.166 1.00 0.00 H new ATOM 0 HG22 THR A 47 -11.055 -6.528 7.849 1.00 0.00 H new ATOM 0 HG23 THR A 47 -9.782 -7.721 7.495 1.00 0.00 H new ATOM 724 N GLY A 48 -8.693 -2.918 8.029 1.00 0.00 N ATOM 725 CA GLY A 48 -8.116 -1.619 8.332 1.00 0.00 C ATOM 726 C GLY A 48 -8.369 -0.629 7.193 1.00 0.00 C ATOM 727 O GLY A 48 -8.388 0.582 7.412 1.00 0.00 O ATOM 0 H GLY A 48 -9.661 -3.035 8.328 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -8.545 -1.233 9.257 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -7.044 -1.723 8.497 1.00 0.00 H new ATOM 731 N LEU A 49 -8.556 -1.179 6.003 1.00 0.00 N ATOM 732 CA LEU A 49 -8.806 -0.360 4.830 1.00 0.00 C ATOM 733 C LEU A 49 -9.832 0.721 5.178 1.00 0.00 C ATOM 734 O LEU A 49 -10.524 0.622 6.189 1.00 0.00 O ATOM 735 CB LEU A 49 -9.213 -1.234 3.642 1.00 0.00 C ATOM 736 CG LEU A 49 -8.066 -1.797 2.799 1.00 0.00 C ATOM 737 CD1 LEU A 49 -8.592 -2.748 1.724 1.00 0.00 C ATOM 738 CD2 LEU A 49 -7.219 -0.670 2.204 1.00 0.00 C ATOM 0 H LEU A 49 -8.539 -2.183 5.826 1.00 0.00 H new ATOM 0 HA LEU A 49 -7.894 0.152 4.522 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -9.806 -2.068 4.017 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -9.862 -0.648 2.991 1.00 0.00 H new ATOM 0 HG LEU A 49 -7.415 -2.378 3.452 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -7.757 -3.134 1.139 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -9.117 -3.577 2.197 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -9.277 -2.212 1.068 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -6.411 -1.097 1.610 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -7.844 -0.042 1.569 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -6.798 -0.067 3.009 1.00 0.00 H new ATOM 750 N PRO A 50 -9.899 1.754 4.297 1.00 0.00 N ATOM 751 CA PRO A 50 -10.829 2.853 4.500 1.00 0.00 C ATOM 752 C PRO A 50 -12.261 2.429 4.165 1.00 0.00 C ATOM 753 O PRO A 50 -12.475 1.589 3.293 1.00 0.00 O ATOM 754 CB PRO A 50 -10.317 3.972 3.608 1.00 0.00 C ATOM 755 CG PRO A 50 -9.400 3.310 2.593 1.00 0.00 C ATOM 756 CD PRO A 50 -9.095 1.905 3.086 1.00 0.00 C ATOM 0 HA PRO A 50 -10.874 3.179 5.539 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -11.142 4.485 3.113 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -9.779 4.720 4.190 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -9.877 3.276 1.613 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -8.480 3.883 2.480 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -9.360 1.157 2.339 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -8.033 1.782 3.298 1.00 0.00 H new ATOM 764 N ASP A 51 -13.203 3.029 4.877 1.00 0.00 N ATOM 765 CA ASP A 51 -14.608 2.724 4.666 1.00 0.00 C ATOM 766 C ASP A 51 -15.011 3.148 3.252 1.00 0.00 C ATOM 767 O ASP A 51 -14.531 4.159 2.743 1.00 0.00 O ATOM 768 CB ASP A 51 -15.491 3.484 5.658 1.00 0.00 C ATOM 769 CG ASP A 51 -15.218 4.987 5.747 1.00 0.00 C ATOM 770 OD1 ASP A 51 -14.345 5.357 6.562 1.00 0.00 O ATOM 771 OD2 ASP A 51 -15.887 5.731 4.999 1.00 0.00 O ATOM 0 H ASP A 51 -13.021 3.725 5.600 1.00 0.00 H new ATOM 0 HA ASP A 51 -14.746 1.652 4.808 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -16.535 3.335 5.380 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -15.359 3.047 6.648 1.00 0.00 H new ATOM 776 N ASP A 52 -15.890 2.354 2.659 1.00 0.00 N ATOM 777 CA ASP A 52 -16.364 2.635 1.315 1.00 0.00 C ATOM 778 C ASP A 52 -15.232 2.380 0.316 1.00 0.00 C ATOM 779 O ASP A 52 -15.160 3.031 -0.726 1.00 0.00 O ATOM 780 CB ASP A 52 -16.796 4.095 1.176 1.00 0.00 C ATOM 781 CG ASP A 52 -17.894 4.350 0.142 1.00 0.00 C ATOM 782 OD1 ASP A 52 -18.896 3.603 0.183 1.00 0.00 O ATOM 783 OD2 ASP A 52 -17.707 5.285 -0.666 1.00 0.00 O ATOM 0 H ASP A 52 -16.286 1.516 3.085 1.00 0.00 H new ATOM 0 HA ASP A 52 -17.217 1.987 1.117 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -17.143 4.449 2.147 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -15.924 4.693 0.912 1.00 0.00 H new ATOM 788 N ILE A 53 -14.375 1.433 0.671 1.00 0.00 N ATOM 789 CA ILE A 53 -13.250 1.085 -0.180 1.00 0.00 C ATOM 790 C ILE A 53 -12.925 -0.399 -0.007 1.00 0.00 C ATOM 791 O ILE A 53 -12.598 -0.842 1.093 1.00 0.00 O ATOM 792 CB ILE A 53 -12.064 2.011 0.094 1.00 0.00 C ATOM 793 CG1 ILE A 53 -12.398 3.457 -0.279 1.00 0.00 C ATOM 794 CG2 ILE A 53 -10.803 1.513 -0.616 1.00 0.00 C ATOM 795 CD1 ILE A 53 -11.178 4.364 -0.105 1.00 0.00 C ATOM 0 H ILE A 53 -14.437 0.896 1.536 1.00 0.00 H new ATOM 0 HA ILE A 53 -13.505 1.235 -1.229 1.00 0.00 H new ATOM 0 HB ILE A 53 -11.859 1.994 1.164 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -12.743 3.499 -1.312 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -13.216 3.818 0.345 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -9.975 2.190 -0.404 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -10.555 0.513 -0.259 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -10.979 1.481 -1.691 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -11.443 5.386 -0.377 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -10.851 4.338 0.934 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -10.370 4.015 -0.749 1.00 0.00 H new ATOM 807 N PRO A 54 -13.028 -1.147 -1.139 1.00 0.00 N ATOM 808 CA PRO A 54 -12.749 -2.572 -1.122 1.00 0.00 C ATOM 809 C PRO A 54 -11.244 -2.836 -1.045 1.00 0.00 C ATOM 810 O PRO A 54 -10.471 -1.943 -0.699 1.00 0.00 O ATOM 811 CB PRO A 54 -13.382 -3.112 -2.395 1.00 0.00 C ATOM 812 CG PRO A 54 -13.585 -1.910 -3.301 1.00 0.00 C ATOM 813 CD PRO A 54 -13.413 -0.656 -2.459 1.00 0.00 C ATOM 0 HA PRO A 54 -13.161 -3.070 -0.245 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -12.737 -3.853 -2.868 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -14.331 -3.605 -2.181 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -12.864 -1.922 -4.119 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -14.578 -1.934 -3.751 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -12.649 -0.000 -2.876 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -14.337 -0.080 -2.413 1.00 0.00 H new ATOM 821 N PHE A 55 -10.872 -4.064 -1.372 1.00 0.00 N ATOM 822 CA PHE A 55 -9.474 -4.456 -1.344 1.00 0.00 C ATOM 823 C PHE A 55 -9.071 -5.147 -2.649 1.00 0.00 C ATOM 824 O PHE A 55 -9.300 -6.344 -2.816 1.00 0.00 O ATOM 825 CB PHE A 55 -9.308 -5.442 -0.187 1.00 0.00 C ATOM 826 CG PHE A 55 -8.082 -6.350 -0.311 1.00 0.00 C ATOM 827 CD1 PHE A 55 -6.839 -5.804 -0.403 1.00 0.00 C ATOM 828 CD2 PHE A 55 -8.235 -7.700 -0.330 1.00 0.00 C ATOM 829 CE1 PHE A 55 -5.702 -6.646 -0.520 1.00 0.00 C ATOM 830 CE2 PHE A 55 -7.097 -8.543 -0.447 1.00 0.00 C ATOM 831 CZ PHE A 55 -5.855 -7.998 -0.539 1.00 0.00 C ATOM 0 H PHE A 55 -11.516 -4.802 -1.658 1.00 0.00 H new ATOM 0 HA PHE A 55 -8.844 -3.575 -1.221 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -9.240 -4.883 0.746 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -10.202 -6.063 -0.122 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -6.718 -4.731 -0.387 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -9.222 -8.133 -0.256 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -4.715 -6.213 -0.594 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -7.219 -9.616 -0.463 1.00 0.00 H new ATOM 0 HZ PHE A 55 -4.990 -8.638 -0.627 1.00 0.00 H new ATOM 841 N ARG A 56 -8.480 -4.364 -3.538 1.00 0.00 N ATOM 842 CA ARG A 56 -8.043 -4.886 -4.822 1.00 0.00 C ATOM 843 C ARG A 56 -6.705 -4.262 -5.222 1.00 0.00 C ATOM 844 O ARG A 56 -6.196 -3.380 -4.531 1.00 0.00 O ATOM 845 CB ARG A 56 -9.077 -4.598 -5.913 1.00 0.00 C ATOM 846 CG ARG A 56 -10.482 -4.997 -5.456 1.00 0.00 C ATOM 847 CD ARG A 56 -11.228 -5.744 -6.563 1.00 0.00 C ATOM 848 NE ARG A 56 -12.688 -5.539 -6.417 1.00 0.00 N ATOM 849 CZ ARG A 56 -13.582 -5.800 -7.379 1.00 0.00 C ATOM 850 NH1 ARG A 56 -13.173 -6.276 -8.563 1.00 0.00 N ATOM 851 NH2 ARG A 56 -14.886 -5.584 -7.159 1.00 0.00 N ATOM 0 H ARG A 56 -8.293 -3.371 -3.395 1.00 0.00 H new ATOM 0 HA ARG A 56 -7.928 -5.965 -4.719 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -9.060 -3.538 -6.164 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -8.817 -5.145 -6.819 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -10.414 -5.627 -4.569 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -11.042 -4.106 -5.172 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -10.898 -5.388 -7.539 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -10.995 -6.808 -6.516 1.00 0.00 H new ATOM 0 HE ARG A 56 -13.034 -5.177 -5.528 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -12.180 -6.440 -8.732 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -13.854 -6.475 -9.296 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -15.198 -5.221 -6.258 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -15.567 -5.783 -7.892 1.00 0.00 H new ATOM 865 N ASN A 57 -6.171 -4.745 -6.334 1.00 0.00 N ATOM 866 CA ASN A 57 -4.902 -4.246 -6.834 1.00 0.00 C ATOM 867 C ASN A 57 -4.843 -2.729 -6.640 1.00 0.00 C ATOM 868 O ASN A 57 -5.810 -2.026 -6.924 1.00 0.00 O ATOM 869 CB ASN A 57 -4.744 -4.538 -8.327 1.00 0.00 C ATOM 870 CG ASN A 57 -3.284 -4.832 -8.677 1.00 0.00 C ATOM 871 OD1 ASN A 57 -2.557 -3.991 -9.178 1.00 0.00 O ATOM 872 ND2 ASN A 57 -2.897 -6.071 -8.387 1.00 0.00 N ATOM 0 H ASN A 57 -6.595 -5.478 -6.903 1.00 0.00 H new ATOM 0 HA ASN A 57 -4.104 -4.744 -6.283 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -5.366 -5.390 -8.602 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -5.096 -3.685 -8.907 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -1.941 -6.366 -8.584 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -3.557 -6.726 -7.968 1.00 0.00 H new ATOM 879 N PRO A 58 -3.667 -2.259 -6.143 1.00 0.00 N ATOM 880 CA PRO A 58 -3.469 -0.838 -5.908 1.00 0.00 C ATOM 881 C PRO A 58 -3.253 -0.089 -7.225 1.00 0.00 C ATOM 882 O PRO A 58 -3.232 1.140 -7.247 1.00 0.00 O ATOM 883 CB PRO A 58 -2.272 -0.758 -4.975 1.00 0.00 C ATOM 884 CG PRO A 58 -1.561 -2.095 -5.093 1.00 0.00 C ATOM 885 CD PRO A 58 -2.500 -3.063 -5.795 1.00 0.00 C ATOM 0 HA PRO A 58 -4.340 -0.360 -5.459 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -1.611 0.062 -5.257 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -2.589 -0.573 -3.948 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -0.634 -1.986 -5.656 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -1.292 -2.472 -4.107 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -2.035 -3.492 -6.683 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -2.771 -3.894 -5.144 1.00 0.00 H new ATOM 893 N ASN A 59 -3.100 -0.863 -8.290 1.00 0.00 N ATOM 894 CA ASN A 59 -2.886 -0.287 -9.607 1.00 0.00 C ATOM 895 C ASN A 59 -4.232 -0.143 -10.320 1.00 0.00 C ATOM 896 O ASN A 59 -4.530 -0.891 -11.250 1.00 0.00 O ATOM 897 CB ASN A 59 -1.993 -1.187 -10.463 1.00 0.00 C ATOM 898 CG ASN A 59 -1.237 -0.371 -11.513 1.00 0.00 C ATOM 899 OD1 ASN A 59 -1.686 0.668 -11.970 1.00 0.00 O ATOM 900 ND2 ASN A 59 -0.068 -0.896 -11.868 1.00 0.00 N ATOM 0 H ASN A 59 -3.120 -1.883 -8.268 1.00 0.00 H new ATOM 0 HA ASN A 59 -2.404 0.682 -9.477 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -1.282 -1.713 -9.825 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -2.601 -1.946 -10.956 1.00 0.00 H new ATOM 0 HD21 ASN A 59 0.513 -0.426 -12.562 1.00 0.00 H new ATOM 0 HD22 ASN A 59 0.248 -1.769 -11.446 1.00 0.00 H new ATOM 907 N THR A 60 -5.010 0.825 -9.858 1.00 0.00 N ATOM 908 CA THR A 60 -6.318 1.077 -10.440 1.00 0.00 C ATOM 909 C THR A 60 -7.062 2.145 -9.637 1.00 0.00 C ATOM 910 O THR A 60 -7.830 2.926 -10.197 1.00 0.00 O ATOM 911 CB THR A 60 -7.065 -0.255 -10.518 1.00 0.00 C ATOM 912 OG1 THR A 60 -8.438 0.120 -10.592 1.00 0.00 O ATOM 913 CG2 THR A 60 -6.969 -1.059 -9.218 1.00 0.00 C ATOM 0 H THR A 60 -4.760 1.444 -9.087 1.00 0.00 H new ATOM 0 HA THR A 60 -6.231 1.477 -11.450 1.00 0.00 H new ATOM 0 HB THR A 60 -6.665 -0.847 -11.341 1.00 0.00 H new ATOM 0 HG1 THR A 60 -8.994 -0.685 -10.647 1.00 0.00 H new ATOM 0 HG21 THR A 60 -7.516 -1.995 -9.328 1.00 0.00 H new ATOM 0 HG22 THR A 60 -5.923 -1.274 -8.999 1.00 0.00 H new ATOM 0 HG23 THR A 60 -7.399 -0.481 -8.400 1.00 0.00 H new ATOM 921 N TYR A 61 -6.810 2.145 -8.336 1.00 0.00 N ATOM 922 CA TYR A 61 -7.446 3.105 -7.449 1.00 0.00 C ATOM 923 C TYR A 61 -7.287 4.530 -7.981 1.00 0.00 C ATOM 924 O TYR A 61 -6.753 4.735 -9.069 1.00 0.00 O ATOM 925 CB TYR A 61 -6.718 2.987 -6.108 1.00 0.00 C ATOM 926 CG TYR A 61 -7.046 1.711 -5.332 1.00 0.00 C ATOM 927 CD1 TYR A 61 -8.360 1.322 -5.166 1.00 0.00 C ATOM 928 CD2 TYR A 61 -6.028 0.949 -4.796 1.00 0.00 C ATOM 929 CE1 TYR A 61 -8.669 0.120 -4.434 1.00 0.00 C ATOM 930 CE2 TYR A 61 -6.337 -0.253 -4.065 1.00 0.00 C ATOM 931 CZ TYR A 61 -7.642 -0.607 -3.921 1.00 0.00 C ATOM 932 OH TYR A 61 -7.932 -1.742 -3.230 1.00 0.00 O ATOM 0 H TYR A 61 -6.174 1.495 -7.874 1.00 0.00 H new ATOM 0 HA TYR A 61 -8.513 2.901 -7.363 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -5.643 3.026 -6.285 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -6.971 3.850 -5.492 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -9.157 1.919 -5.585 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -5.000 1.254 -4.925 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -9.693 -0.196 -4.296 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -5.550 -0.859 -3.641 1.00 0.00 H new ATOM 0 HH TYR A 61 -7.160 -2.345 -3.253 1.00 0.00 H new ATOM 942 N ASP A 62 -7.760 5.480 -7.187 1.00 0.00 N ATOM 943 CA ASP A 62 -7.678 6.880 -7.562 1.00 0.00 C ATOM 944 C ASP A 62 -6.983 7.664 -6.447 1.00 0.00 C ATOM 945 O ASP A 62 -6.585 7.089 -5.435 1.00 0.00 O ATOM 946 CB ASP A 62 -9.070 7.480 -7.765 1.00 0.00 C ATOM 947 CG ASP A 62 -9.928 6.780 -8.821 1.00 0.00 C ATOM 948 OD1 ASP A 62 -10.442 5.686 -8.501 1.00 0.00 O ATOM 949 OD2 ASP A 62 -10.050 7.354 -9.924 1.00 0.00 O ATOM 0 H ASP A 62 -8.202 5.306 -6.284 1.00 0.00 H new ATOM 0 HA ASP A 62 -7.118 6.945 -8.495 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -9.601 7.457 -6.814 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -8.960 8.528 -8.044 1.00 0.00 H new ATOM 954 N ILE A 63 -6.859 8.964 -6.668 1.00 0.00 N ATOM 955 CA ILE A 63 -6.220 9.832 -5.694 1.00 0.00 C ATOM 956 C ILE A 63 -6.853 9.601 -4.320 1.00 0.00 C ATOM 957 O ILE A 63 -6.150 9.547 -3.311 1.00 0.00 O ATOM 958 CB ILE A 63 -6.272 11.289 -6.158 1.00 0.00 C ATOM 959 CG1 ILE A 63 -4.941 11.996 -5.896 1.00 0.00 C ATOM 960 CG2 ILE A 63 -7.449 12.027 -5.518 1.00 0.00 C ATOM 961 CD1 ILE A 63 -5.135 13.511 -5.796 1.00 0.00 C ATOM 0 H ILE A 63 -7.191 9.438 -7.508 1.00 0.00 H new ATOM 0 HA ILE A 63 -5.161 9.589 -5.603 1.00 0.00 H new ATOM 0 HB ILE A 63 -6.434 11.298 -7.236 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -4.501 11.620 -4.972 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -4.240 11.768 -6.699 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -7.463 13.060 -5.865 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -8.382 11.538 -5.799 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -7.343 12.010 -4.433 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -4.174 13.989 -5.609 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -5.552 13.887 -6.730 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -5.818 13.737 -4.977 1.00 0.00 H new ATOM 973 N HIS A 64 -8.171 9.472 -4.325 1.00 0.00 N ATOM 974 CA HIS A 64 -8.906 9.248 -3.091 1.00 0.00 C ATOM 975 C HIS A 64 -8.490 7.908 -2.483 1.00 0.00 C ATOM 976 O HIS A 64 -7.776 7.871 -1.481 1.00 0.00 O ATOM 977 CB HIS A 64 -10.413 9.348 -3.331 1.00 0.00 C ATOM 978 CG HIS A 64 -10.916 10.762 -3.499 1.00 0.00 C ATOM 979 ND1 HIS A 64 -11.203 11.588 -2.426 1.00 0.00 N ATOM 980 CD2 HIS A 64 -11.178 11.488 -4.625 1.00 0.00 C ATOM 981 CE1 HIS A 64 -11.620 12.755 -2.897 1.00 0.00 C ATOM 982 NE2 HIS A 64 -11.604 12.690 -4.259 1.00 0.00 N ATOM 0 H HIS A 64 -8.750 9.518 -5.164 1.00 0.00 H new ATOM 0 HA HIS A 64 -8.660 10.027 -2.370 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -10.667 8.775 -4.222 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -10.935 8.885 -2.494 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -11.059 11.143 -5.641 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -11.920 13.608 -2.306 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -11.875 13.442 -4.892 1.00 0.00 H new ATOM 990 N ARG A 65 -8.955 6.838 -3.111 1.00 0.00 N ATOM 991 CA ARG A 65 -8.639 5.499 -2.644 1.00 0.00 C ATOM 992 C ARG A 65 -7.161 5.403 -2.266 1.00 0.00 C ATOM 993 O ARG A 65 -6.823 4.937 -1.179 1.00 0.00 O ATOM 994 CB ARG A 65 -8.954 4.454 -3.715 1.00 0.00 C ATOM 995 CG ARG A 65 -10.148 3.589 -3.305 1.00 0.00 C ATOM 996 CD ARG A 65 -11.248 3.632 -4.368 1.00 0.00 C ATOM 997 NE ARG A 65 -12.061 4.858 -4.206 1.00 0.00 N ATOM 998 CZ ARG A 65 -12.869 5.355 -5.153 1.00 0.00 C ATOM 999 NH1 ARG A 65 -12.975 4.734 -6.336 1.00 0.00 N ATOM 1000 NH2 ARG A 65 -13.568 6.473 -4.917 1.00 0.00 N ATOM 0 H ARG A 65 -9.549 6.871 -3.940 1.00 0.00 H new ATOM 0 HA ARG A 65 -9.255 5.300 -1.767 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -9.169 4.951 -4.661 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -8.081 3.821 -3.878 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -9.822 2.560 -3.156 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -10.545 3.939 -2.352 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -10.804 3.609 -5.363 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -11.883 2.750 -4.282 1.00 0.00 H new ATOM 0 HE ARG A 65 -12.003 5.356 -3.318 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -12.441 3.884 -6.515 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -13.590 5.112 -7.057 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -13.485 6.946 -4.017 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -14.183 6.852 -5.637 1.00 0.00 H new ATOM 1014 N LEU A 66 -6.317 5.851 -3.185 1.00 0.00 N ATOM 1015 CA LEU A 66 -4.881 5.821 -2.961 1.00 0.00 C ATOM 1016 C LEU A 66 -4.559 6.535 -1.647 1.00 0.00 C ATOM 1017 O LEU A 66 -3.941 5.956 -0.756 1.00 0.00 O ATOM 1018 CB LEU A 66 -4.139 6.393 -4.170 1.00 0.00 C ATOM 1019 CG LEU A 66 -4.111 5.510 -5.420 1.00 0.00 C ATOM 1020 CD1 LEU A 66 -3.093 6.031 -6.436 1.00 0.00 C ATOM 1021 CD2 LEU A 66 -3.855 4.047 -5.050 1.00 0.00 C ATOM 0 H LEU A 66 -6.600 6.237 -4.086 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.532 4.793 -2.859 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -4.596 7.347 -4.434 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.111 6.603 -3.874 1.00 0.00 H new ATOM 0 HG LEU A 66 -5.091 5.556 -5.894 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -3.093 5.386 -7.315 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -3.360 7.046 -6.731 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.100 6.033 -5.987 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -3.840 3.440 -5.955 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -2.895 3.963 -4.541 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -4.648 3.694 -4.390 1.00 0.00 H new ATOM 1033 N GLU A 67 -4.993 7.784 -1.568 1.00 0.00 N ATOM 1034 CA GLU A 67 -4.758 8.585 -0.379 1.00 0.00 C ATOM 1035 C GLU A 67 -5.404 7.923 0.841 1.00 0.00 C ATOM 1036 O GLU A 67 -4.719 7.591 1.807 1.00 0.00 O ATOM 1037 CB GLU A 67 -5.276 10.012 -0.566 1.00 0.00 C ATOM 1038 CG GLU A 67 -4.287 10.852 -1.377 1.00 0.00 C ATOM 1039 CD GLU A 67 -3.456 11.754 -0.464 1.00 0.00 C ATOM 1040 OE1 GLU A 67 -2.743 11.191 0.396 1.00 0.00 O ATOM 1041 OE2 GLU A 67 -3.552 12.987 -0.644 1.00 0.00 O ATOM 0 H GLU A 67 -5.507 8.261 -2.309 1.00 0.00 H new ATOM 0 HA GLU A 67 -3.683 8.644 -0.211 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.241 9.989 -1.073 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -5.439 10.474 0.408 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -3.627 10.196 -1.944 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -4.829 11.461 -2.100 1.00 0.00 H new ATOM 1048 N LYS A 68 -6.715 7.753 0.757 1.00 0.00 N ATOM 1049 CA LYS A 68 -7.461 7.137 1.842 1.00 0.00 C ATOM 1050 C LYS A 68 -6.665 5.953 2.395 1.00 0.00 C ATOM 1051 O LYS A 68 -6.258 5.962 3.556 1.00 0.00 O ATOM 1052 CB LYS A 68 -8.872 6.768 1.380 1.00 0.00 C ATOM 1053 CG LYS A 68 -9.591 7.982 0.790 1.00 0.00 C ATOM 1054 CD LYS A 68 -10.832 8.338 1.612 1.00 0.00 C ATOM 1055 CE LYS A 68 -11.592 9.504 0.980 1.00 0.00 C ATOM 1056 NZ LYS A 68 -11.043 10.797 1.449 1.00 0.00 N ATOM 0 H LYS A 68 -7.280 8.031 -0.045 1.00 0.00 H new ATOM 0 HA LYS A 68 -7.594 7.843 2.662 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -8.818 5.975 0.634 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -9.443 6.376 2.222 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -8.912 8.834 0.763 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -9.880 7.773 -0.240 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -11.486 7.469 1.684 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -10.537 8.600 2.628 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -11.522 9.445 -0.106 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -12.650 9.437 1.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -11.571 11.578 1.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -11.132 10.857 2.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -10.040 10.865 1.184 1.00 0.00 H new ATOM 1070 N ILE A 69 -6.467 4.963 1.537 1.00 0.00 N ATOM 1071 CA ILE A 69 -5.727 3.775 1.926 1.00 0.00 C ATOM 1072 C ILE A 69 -4.465 4.190 2.685 1.00 0.00 C ATOM 1073 O ILE A 69 -4.201 3.690 3.778 1.00 0.00 O ATOM 1074 CB ILE A 69 -5.448 2.893 0.706 1.00 0.00 C ATOM 1075 CG1 ILE A 69 -6.718 2.169 0.252 1.00 0.00 C ATOM 1076 CG2 ILE A 69 -4.300 1.921 0.982 1.00 0.00 C ATOM 1077 CD1 ILE A 69 -6.901 2.280 -1.263 1.00 0.00 C ATOM 0 H ILE A 69 -6.806 4.959 0.575 1.00 0.00 H new ATOM 0 HA ILE A 69 -6.321 3.163 2.605 1.00 0.00 H new ATOM 0 HB ILE A 69 -5.133 3.536 -0.116 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -6.665 1.119 0.539 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -7.584 2.595 0.759 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -4.123 1.307 0.099 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -3.397 2.483 1.220 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -4.561 1.280 1.824 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -7.810 1.757 -1.559 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -6.978 3.330 -1.544 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -6.045 1.832 -1.767 1.00 0.00 H new ATOM 1089 N LEU A 70 -3.718 5.099 2.076 1.00 0.00 N ATOM 1090 CA LEU A 70 -2.491 5.587 2.680 1.00 0.00 C ATOM 1091 C LEU A 70 -2.812 6.224 4.034 1.00 0.00 C ATOM 1092 O LEU A 70 -2.022 6.128 4.972 1.00 0.00 O ATOM 1093 CB LEU A 70 -1.756 6.523 1.719 1.00 0.00 C ATOM 1094 CG LEU A 70 -0.977 5.848 0.590 1.00 0.00 C ATOM 1095 CD1 LEU A 70 -0.815 6.791 -0.605 1.00 0.00 C ATOM 1096 CD2 LEU A 70 0.370 5.323 1.090 1.00 0.00 C ATOM 0 H LEU A 70 -3.940 5.510 1.169 1.00 0.00 H new ATOM 0 HA LEU A 70 -1.806 4.761 2.870 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -2.485 7.201 1.276 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -1.063 7.134 2.297 1.00 0.00 H new ATOM 0 HG LEU A 70 -1.551 4.987 0.247 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -0.257 6.286 -1.394 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -1.798 7.075 -0.980 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -0.274 7.684 -0.293 1.00 0.00 H new ATOM 0 HD21 LEU A 70 0.903 4.848 0.267 1.00 0.00 H new ATOM 0 HD22 LEU A 70 0.963 6.152 1.476 1.00 0.00 H new ATOM 0 HD23 LEU A 70 0.205 4.595 1.884 1.00 0.00 H new ATOM 1108 N LYS A 71 -3.973 6.860 4.093 1.00 0.00 N ATOM 1109 CA LYS A 71 -4.409 7.511 5.315 1.00 0.00 C ATOM 1110 C LYS A 71 -4.759 6.449 6.358 1.00 0.00 C ATOM 1111 O LYS A 71 -4.858 6.748 7.547 1.00 0.00 O ATOM 1112 CB LYS A 71 -5.549 8.489 5.025 1.00 0.00 C ATOM 1113 CG LYS A 71 -5.131 9.927 5.333 1.00 0.00 C ATOM 1114 CD LYS A 71 -6.345 10.857 5.362 1.00 0.00 C ATOM 1115 CE LYS A 71 -5.913 12.325 5.330 1.00 0.00 C ATOM 1116 NZ LYS A 71 -6.909 13.175 6.021 1.00 0.00 N ATOM 0 H LYS A 71 -4.625 6.938 3.313 1.00 0.00 H new ATOM 0 HA LYS A 71 -3.603 8.114 5.733 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -5.844 8.409 3.979 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -6.421 8.224 5.623 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -4.618 9.962 6.294 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -4.422 10.272 4.581 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -6.990 10.645 4.509 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -6.932 10.667 6.260 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -4.939 12.434 5.808 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -5.800 12.654 4.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -6.600 14.167 5.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -7.831 13.084 5.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -6.997 12.871 7.012 1.00 0.00 H new ATOM 1130 N ALA A 72 -4.939 5.228 5.875 1.00 0.00 N ATOM 1131 CA ALA A 72 -5.277 4.118 6.750 1.00 0.00 C ATOM 1132 C ALA A 72 -4.182 3.053 6.662 1.00 0.00 C ATOM 1133 O ALA A 72 -4.391 1.909 7.064 1.00 0.00 O ATOM 1134 CB ALA A 72 -6.654 3.571 6.371 1.00 0.00 C ATOM 0 H ALA A 72 -4.857 4.983 4.888 1.00 0.00 H new ATOM 0 HA ALA A 72 -5.332 4.449 7.787 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -6.908 2.738 7.027 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -7.400 4.358 6.478 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -6.637 3.226 5.337 1.00 0.00 H new ATOM 1140 N ARG A 73 -3.040 3.467 6.134 1.00 0.00 N ATOM 1141 CA ARG A 73 -1.912 2.563 5.988 1.00 0.00 C ATOM 1142 C ARG A 73 -1.561 1.929 7.336 1.00 0.00 C ATOM 1143 O ARG A 73 -1.145 0.774 7.394 1.00 0.00 O ATOM 1144 CB ARG A 73 -0.684 3.296 5.443 1.00 0.00 C ATOM 1145 CG ARG A 73 -0.195 4.356 6.430 1.00 0.00 C ATOM 1146 CD ARG A 73 0.921 5.204 5.817 1.00 0.00 C ATOM 1147 NE ARG A 73 1.281 6.308 6.734 1.00 0.00 N ATOM 1148 CZ ARG A 73 2.138 7.291 6.428 1.00 0.00 C ATOM 1149 NH1 ARG A 73 2.729 7.313 5.225 1.00 0.00 N ATOM 1150 NH2 ARG A 73 2.405 8.251 7.323 1.00 0.00 N ATOM 0 H ARG A 73 -2.871 4.417 5.802 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.201 1.786 5.281 1.00 0.00 H new ATOM 0 HB2 ARG A 73 0.114 2.580 5.248 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -0.930 3.766 4.491 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -1.026 4.998 6.721 1.00 0.00 H new ATOM 0 HG3 ARG A 73 0.167 3.873 7.338 1.00 0.00 H new ATOM 0 HD2 ARG A 73 1.795 4.583 5.622 1.00 0.00 H new ATOM 0 HD3 ARG A 73 0.597 5.608 4.858 1.00 0.00 H new ATOM 0 HE ARG A 73 0.849 6.321 7.658 1.00 0.00 H new ATOM 0 HH11 ARG A 73 2.526 6.582 4.544 1.00 0.00 H new ATOM 0 HH12 ARG A 73 3.382 8.061 4.991 1.00 0.00 H new ATOM 0 HH21 ARG A 73 1.956 8.234 8.239 1.00 0.00 H new ATOM 0 HH22 ARG A 73 3.058 8.999 7.089 1.00 0.00 H new ATOM 1164 N GLU A 74 -1.744 2.715 8.388 1.00 0.00 N ATOM 1165 CA GLU A 74 -1.451 2.245 9.732 1.00 0.00 C ATOM 1166 C GLU A 74 -2.584 1.350 10.238 1.00 0.00 C ATOM 1167 O GLU A 74 -2.356 0.460 11.056 1.00 0.00 O ATOM 1168 CB GLU A 74 -1.214 3.420 10.683 1.00 0.00 C ATOM 1169 CG GLU A 74 0.280 3.615 10.952 1.00 0.00 C ATOM 1170 CD GLU A 74 0.662 3.076 12.332 1.00 0.00 C ATOM 1171 OE1 GLU A 74 0.048 3.545 13.315 1.00 0.00 O ATOM 1172 OE2 GLU A 74 1.560 2.207 12.373 1.00 0.00 O ATOM 0 H GLU A 74 -2.091 3.673 8.337 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.535 1.656 9.700 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -1.632 4.330 10.253 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -1.736 3.243 11.623 1.00 0.00 H new ATOM 0 HG2 GLU A 74 0.861 3.104 10.184 1.00 0.00 H new ATOM 0 HG3 GLU A 74 0.530 4.674 10.889 1.00 0.00 H new ATOM 1179 N HIS A 75 -3.778 1.616 9.732 1.00 0.00 N ATOM 1180 CA HIS A 75 -4.946 0.846 10.123 1.00 0.00 C ATOM 1181 C HIS A 75 -4.983 -0.466 9.337 1.00 0.00 C ATOM 1182 O HIS A 75 -5.308 -1.516 9.889 1.00 0.00 O ATOM 1183 CB HIS A 75 -6.223 1.672 9.957 1.00 0.00 C ATOM 1184 CG HIS A 75 -6.535 2.565 11.134 1.00 0.00 C ATOM 1185 ND1 HIS A 75 -7.176 2.109 12.273 1.00 0.00 N ATOM 1186 CD2 HIS A 75 -6.286 3.890 11.338 1.00 0.00 C ATOM 1187 CE1 HIS A 75 -7.303 3.122 13.116 1.00 0.00 C ATOM 1188 NE2 HIS A 75 -6.751 4.225 12.535 1.00 0.00 N ATOM 0 H HIS A 75 -3.962 2.355 9.054 1.00 0.00 H new ATOM 0 HA HIS A 75 -4.881 0.594 11.181 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -6.132 2.287 9.062 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -7.062 0.996 9.795 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -5.794 4.554 10.643 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -7.763 3.082 14.092 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -6.703 5.155 12.952 1.00 0.00 H new ATOM 1196 N VAL A 76 -4.643 -0.362 8.060 1.00 0.00 N ATOM 1197 CA VAL A 76 -4.633 -1.528 7.192 1.00 0.00 C ATOM 1198 C VAL A 76 -3.852 -2.656 7.870 1.00 0.00 C ATOM 1199 O VAL A 76 -2.738 -2.445 8.347 1.00 0.00 O ATOM 1200 CB VAL A 76 -4.070 -1.152 5.819 1.00 0.00 C ATOM 1201 CG1 VAL A 76 -3.719 -2.403 5.010 1.00 0.00 C ATOM 1202 CG2 VAL A 76 -5.049 -0.260 5.052 1.00 0.00 C ATOM 0 H VAL A 76 -4.373 0.511 7.606 1.00 0.00 H new ATOM 0 HA VAL A 76 -5.648 -1.890 7.025 1.00 0.00 H new ATOM 0 HB VAL A 76 -3.152 -0.586 5.976 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -3.321 -2.109 4.039 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -2.971 -2.986 5.547 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -4.615 -3.007 4.867 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -4.626 -0.007 4.080 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -5.991 -0.791 4.911 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -5.229 0.654 5.618 1.00 0.00 H new ATOM 1212 N ARG A 77 -4.466 -3.829 7.890 1.00 0.00 N ATOM 1213 CA ARG A 77 -3.843 -4.991 8.500 1.00 0.00 C ATOM 1214 C ARG A 77 -4.229 -6.262 7.741 1.00 0.00 C ATOM 1215 O ARG A 77 -5.393 -6.451 7.392 1.00 0.00 O ATOM 1216 CB ARG A 77 -4.261 -5.135 9.965 1.00 0.00 C ATOM 1217 CG ARG A 77 -3.665 -6.399 10.584 1.00 0.00 C ATOM 1218 CD ARG A 77 -2.531 -6.054 11.552 1.00 0.00 C ATOM 1219 NE ARG A 77 -3.073 -5.359 12.740 1.00 0.00 N ATOM 1220 CZ ARG A 77 -2.317 -4.753 13.666 1.00 0.00 C ATOM 1221 NH1 ARG A 77 -0.983 -4.752 13.545 1.00 0.00 N ATOM 1222 NH2 ARG A 77 -2.896 -4.146 14.711 1.00 0.00 N ATOM 0 H ARG A 77 -5.390 -4.000 7.493 1.00 0.00 H new ATOM 0 HA ARG A 77 -2.763 -4.850 8.453 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -3.933 -4.261 10.528 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -5.348 -5.170 10.035 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -4.443 -6.951 11.112 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -3.289 -7.052 9.796 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -2.013 -6.963 11.857 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -1.797 -5.421 11.054 1.00 0.00 H new ATOM 0 HE ARG A 77 -4.085 -5.340 12.862 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -0.543 -5.212 12.748 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -0.407 -4.291 14.250 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -3.912 -4.145 14.802 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -2.321 -3.685 15.416 1.00 0.00 H new ATOM 1236 N MET A 78 -3.229 -7.099 7.506 1.00 0.00 N ATOM 1237 CA MET A 78 -3.449 -8.346 6.793 1.00 0.00 C ATOM 1238 C MET A 78 -3.324 -9.545 7.735 1.00 0.00 C ATOM 1239 O MET A 78 -2.504 -9.536 8.651 1.00 0.00 O ATOM 1240 CB MET A 78 -2.426 -8.476 5.663 1.00 0.00 C ATOM 1241 CG MET A 78 -2.806 -7.589 4.475 1.00 0.00 C ATOM 1242 SD MET A 78 -1.512 -7.629 3.245 1.00 0.00 S ATOM 1243 CE MET A 78 -2.250 -6.602 1.987 1.00 0.00 C ATOM 0 H MET A 78 -2.265 -6.938 7.797 1.00 0.00 H new ATOM 0 HA MET A 78 -4.458 -8.334 6.381 1.00 0.00 H new ATOM 0 HB2 MET A 78 -1.438 -8.197 6.028 1.00 0.00 H new ATOM 0 HB3 MET A 78 -2.365 -9.515 5.341 1.00 0.00 H new ATOM 0 HG2 MET A 78 -3.744 -7.933 4.039 1.00 0.00 H new ATOM 0 HG3 MET A 78 -2.967 -6.565 4.812 1.00 0.00 H new ATOM 0 HE1 MET A 78 -1.488 -5.956 1.551 1.00 0.00 H new ATOM 0 HE2 MET A 78 -2.680 -7.232 1.209 1.00 0.00 H new ATOM 0 HE3 MET A 78 -3.034 -5.989 2.432 1.00 0.00 H new ATOM 1253 N VAL A 79 -4.151 -10.548 7.477 1.00 0.00 N ATOM 1254 CA VAL A 79 -4.143 -11.752 8.291 1.00 0.00 C ATOM 1255 C VAL A 79 -4.283 -12.976 7.384 1.00 0.00 C ATOM 1256 O VAL A 79 -5.293 -13.134 6.699 1.00 0.00 O ATOM 1257 CB VAL A 79 -5.237 -11.670 9.358 1.00 0.00 C ATOM 1258 CG1 VAL A 79 -5.288 -12.952 10.190 1.00 0.00 C ATOM 1259 CG2 VAL A 79 -5.042 -10.443 10.251 1.00 0.00 C ATOM 0 H VAL A 79 -4.831 -10.552 6.716 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.196 -11.848 8.822 1.00 0.00 H new ATOM 0 HB VAL A 79 -6.195 -11.563 8.848 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -6.074 -12.868 10.941 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -5.498 -13.800 9.539 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -4.328 -13.103 10.684 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -5.833 -10.409 11.000 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -4.074 -10.505 10.748 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -5.080 -9.540 9.642 1.00 0.00 H new ATOM 1269 N ILE A 80 -3.254 -13.811 7.409 1.00 0.00 N ATOM 1270 CA ILE A 80 -3.250 -15.016 6.597 1.00 0.00 C ATOM 1271 C ILE A 80 -4.330 -15.974 7.107 1.00 0.00 C ATOM 1272 O ILE A 80 -4.169 -16.592 8.158 1.00 0.00 O ATOM 1273 CB ILE A 80 -1.850 -15.632 6.560 1.00 0.00 C ATOM 1274 CG1 ILE A 80 -0.804 -14.593 6.151 1.00 0.00 C ATOM 1275 CG2 ILE A 80 -1.817 -16.865 5.655 1.00 0.00 C ATOM 1276 CD1 ILE A 80 -0.998 -14.163 4.696 1.00 0.00 C ATOM 0 H ILE A 80 -2.418 -13.677 7.978 1.00 0.00 H new ATOM 0 HA ILE A 80 -3.497 -14.779 5.562 1.00 0.00 H new ATOM 0 HB ILE A 80 -1.597 -15.965 7.567 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -0.876 -13.723 6.804 1.00 0.00 H new ATOM 0 HG13 ILE A 80 0.196 -15.007 6.281 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -0.811 -17.283 5.647 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -2.517 -17.611 6.031 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -2.100 -16.580 4.642 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -0.242 -13.424 4.431 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -0.901 -15.031 4.044 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -1.989 -13.727 4.575 1.00 0.00 H new ATOM 1288 N ILE A 81 -5.405 -16.066 6.339 1.00 0.00 N ATOM 1289 CA ILE A 81 -6.511 -16.936 6.699 1.00 0.00 C ATOM 1290 C ILE A 81 -6.153 -18.381 6.344 1.00 0.00 C ATOM 1291 O ILE A 81 -6.195 -19.263 7.199 1.00 0.00 O ATOM 1292 CB ILE A 81 -7.809 -16.448 6.055 1.00 0.00 C ATOM 1293 CG1 ILE A 81 -8.170 -15.044 6.545 1.00 0.00 C ATOM 1294 CG2 ILE A 81 -8.946 -17.446 6.288 1.00 0.00 C ATOM 1295 CD1 ILE A 81 -8.261 -15.002 8.072 1.00 0.00 C ATOM 0 H ILE A 81 -5.534 -15.552 5.468 1.00 0.00 H new ATOM 0 HA ILE A 81 -6.686 -16.905 7.774 1.00 0.00 H new ATOM 0 HB ILE A 81 -7.653 -16.383 4.978 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -7.420 -14.331 6.202 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -9.122 -14.738 6.112 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -9.858 -17.075 5.820 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -8.680 -18.409 5.852 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -9.111 -17.566 7.359 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -8.519 -13.993 8.394 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -9.029 -15.698 8.410 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -7.300 -15.285 8.502 1.00 0.00 H new