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= -0.197 K(o=-0.2,f=-1.1!) USER MOD Single : A 13 LYS NZ :NH3+ -121:sc= -0.408 (180deg=-3.02!) USER MOD Single : A 17 ASN : amide:sc= -5.15! C(o=-5.2!,f=-6.3!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -0.469 K(o=-0.47,f=-2.8!) USER MOD Single : A 34 TYR OH : rot -37:sc= -0.117 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 170:sc= -1.03 USER MOD Single : A 47 THR OG1 : rot -101:sc= 1.17 USER MOD Single : A 57 ASN : amide:sc= -3.96! C(o=-4!,f=-4.3!) USER MOD Single : A 59 ASN : amide:sc= -1.75 K(o=-1.8,f=-0.35) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot -38:sc= 1.03 USER MOD Single : A 64 HIS : no HD1:sc= -0.0675 X(o=-0.067,f=-0.067) 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 -133:sc= -3.99! (180deg=-4.76!) USER MOD ----------------------------------------------------------------- ATOM 66 N LEU A 8 1.852 7.909 -4.934 1.00 0.00 N ATOM 67 CA LEU A 8 0.862 7.270 -4.083 1.00 0.00 C ATOM 68 C LEU A 8 0.685 5.814 -4.519 1.00 0.00 C ATOM 69 O LEU A 8 0.657 4.912 -3.683 1.00 0.00 O ATOM 70 CB LEU A 8 -0.441 8.072 -4.081 1.00 0.00 C ATOM 71 CG LEU A 8 -0.338 9.517 -3.587 1.00 0.00 C ATOM 72 CD1 LEU A 8 -1.577 10.322 -3.983 1.00 0.00 C ATOM 73 CD2 LEU A 8 -0.081 9.564 -2.080 1.00 0.00 C ATOM 0 HA LEU A 8 1.203 7.255 -3.048 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -0.839 8.083 -5.096 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -1.167 7.547 -3.460 1.00 0.00 H new ATOM 0 HG LEU A 8 0.518 9.984 -4.074 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -1.478 11.345 -3.620 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.674 10.330 -5.069 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -2.464 9.865 -3.543 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -0.012 10.602 -1.755 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -0.901 9.073 -1.556 1.00 0.00 H new ATOM 0 HD23 LEU A 8 0.853 9.050 -1.854 1.00 0.00 H new ATOM 85 N ARG A 9 0.574 5.630 -5.825 1.00 0.00 N ATOM 86 CA ARG A 9 0.401 4.298 -6.382 1.00 0.00 C ATOM 87 C ARG A 9 1.456 3.345 -5.814 1.00 0.00 C ATOM 88 O ARG A 9 1.119 2.348 -5.179 1.00 0.00 O ATOM 89 CB ARG A 9 0.513 4.320 -7.908 1.00 0.00 C ATOM 90 CG ARG A 9 -0.277 3.167 -8.531 1.00 0.00 C ATOM 91 CD ARG A 9 -1.695 3.609 -8.898 1.00 0.00 C ATOM 92 NE ARG A 9 -1.682 4.328 -10.192 1.00 0.00 N ATOM 93 CZ ARG A 9 -2.782 4.622 -10.899 1.00 0.00 C ATOM 94 NH1 ARG A 9 -3.989 4.262 -10.442 1.00 0.00 N ATOM 95 NH2 ARG A 9 -2.674 5.278 -12.063 1.00 0.00 N ATOM 0 H ARG A 9 0.600 6.381 -6.515 1.00 0.00 H new ATOM 0 HA ARG A 9 -0.595 3.950 -6.107 1.00 0.00 H new ATOM 0 HB2 ARG A 9 0.140 5.270 -8.290 1.00 0.00 H new ATOM 0 HB3 ARG A 9 1.561 4.248 -8.201 1.00 0.00 H new ATOM 0 HG2 ARG A 9 0.238 2.808 -9.422 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -0.322 2.332 -7.831 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -2.351 2.740 -8.962 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -2.097 4.255 -8.118 1.00 0.00 H new ATOM 0 HE ARG A 9 -0.780 4.618 -10.569 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -4.071 3.764 -9.556 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -4.826 4.486 -10.980 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -1.755 5.553 -12.410 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -3.511 5.502 -12.602 1.00 0.00 H new ATOM 109 N GLU A 10 2.712 3.687 -6.065 1.00 0.00 N ATOM 110 CA GLU A 10 3.818 2.875 -5.587 1.00 0.00 C ATOM 111 C GLU A 10 3.736 2.707 -4.068 1.00 0.00 C ATOM 112 O GLU A 10 4.024 1.633 -3.542 1.00 0.00 O ATOM 113 CB GLU A 10 5.161 3.480 -5.999 1.00 0.00 C ATOM 114 CG GLU A 10 5.697 2.812 -7.267 1.00 0.00 C ATOM 115 CD GLU A 10 7.114 2.276 -7.047 1.00 0.00 C ATOM 116 OE1 GLU A 10 8.058 3.071 -7.242 1.00 0.00 O ATOM 117 OE2 GLU A 10 7.220 1.083 -6.688 1.00 0.00 O ATOM 0 H GLU A 10 2.988 4.515 -6.593 1.00 0.00 H new ATOM 0 HA GLU A 10 3.744 1.890 -6.047 1.00 0.00 H new ATOM 0 HB2 GLU A 10 5.045 4.550 -6.169 1.00 0.00 H new ATOM 0 HB3 GLU A 10 5.881 3.362 -5.189 1.00 0.00 H new ATOM 0 HG2 GLU A 10 5.037 1.995 -7.559 1.00 0.00 H new ATOM 0 HG3 GLU A 10 5.699 3.530 -8.087 1.00 0.00 H new ATOM 124 N GLN A 11 3.340 3.784 -3.406 1.00 0.00 N ATOM 125 CA GLN A 11 3.216 3.769 -1.958 1.00 0.00 C ATOM 126 C GLN A 11 2.236 2.678 -1.521 1.00 0.00 C ATOM 127 O GLN A 11 2.600 1.779 -0.765 1.00 0.00 O ATOM 128 CB GLN A 11 2.783 5.139 -1.431 1.00 0.00 C ATOM 129 CG GLN A 11 3.859 6.194 -1.697 1.00 0.00 C ATOM 130 CD GLN A 11 3.956 7.184 -0.536 1.00 0.00 C ATOM 131 OE1 GLN A 11 3.794 6.839 0.624 1.00 0.00 O ATOM 132 NE2 GLN A 11 4.226 8.431 -0.908 1.00 0.00 N ATOM 0 H GLN A 11 3.101 4.673 -3.845 1.00 0.00 H new ATOM 0 HA GLN A 11 4.193 3.544 -1.531 1.00 0.00 H new ATOM 0 HB2 GLN A 11 1.850 5.438 -1.908 1.00 0.00 H new ATOM 0 HB3 GLN A 11 2.587 5.076 -0.361 1.00 0.00 H new ATOM 0 HG2 GLN A 11 4.823 5.706 -1.845 1.00 0.00 H new ATOM 0 HG3 GLN A 11 3.628 6.730 -2.618 1.00 0.00 H new ATOM 0 HE21 GLN A 11 4.350 8.653 -1.896 1.00 0.00 H new ATOM 0 HE22 GLN A 11 4.309 9.166 -0.206 1.00 0.00 H new ATOM 141 N VAL A 12 1.012 2.794 -2.015 1.00 0.00 N ATOM 142 CA VAL A 12 -0.023 1.830 -1.683 1.00 0.00 C ATOM 143 C VAL A 12 0.482 0.419 -1.993 1.00 0.00 C ATOM 144 O VAL A 12 0.246 -0.511 -1.225 1.00 0.00 O ATOM 145 CB VAL A 12 -1.317 2.177 -2.423 1.00 0.00 C ATOM 146 CG1 VAL A 12 -2.386 1.107 -2.189 1.00 0.00 C ATOM 147 CG2 VAL A 12 -1.828 3.561 -2.015 1.00 0.00 C ATOM 0 H VAL A 12 0.714 3.541 -2.643 1.00 0.00 H new ATOM 0 HA VAL A 12 -0.252 1.867 -0.618 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.096 2.203 -3.490 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -3.295 1.378 -2.726 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.023 0.145 -2.551 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.602 1.035 -1.123 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -2.748 3.783 -2.555 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -2.024 3.575 -0.943 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -1.076 4.312 -2.256 1.00 0.00 H new ATOM 157 N LYS A 13 1.170 0.306 -3.120 1.00 0.00 N ATOM 158 CA LYS A 13 1.712 -0.975 -3.541 1.00 0.00 C ATOM 159 C LYS A 13 2.560 -1.561 -2.411 1.00 0.00 C ATOM 160 O LYS A 13 2.230 -2.612 -1.863 1.00 0.00 O ATOM 161 CB LYS A 13 2.466 -0.830 -4.864 1.00 0.00 C ATOM 162 CG LYS A 13 1.506 -0.909 -6.054 1.00 0.00 C ATOM 163 CD LYS A 13 2.241 -0.646 -7.370 1.00 0.00 C ATOM 164 CE LYS A 13 1.806 0.688 -7.982 1.00 0.00 C ATOM 165 NZ LYS A 13 2.919 1.293 -8.748 1.00 0.00 N ATOM 0 H LYS A 13 1.364 1.081 -3.754 1.00 0.00 H new ATOM 0 HA LYS A 13 0.907 -1.683 -3.736 1.00 0.00 H new ATOM 0 HB2 LYS A 13 2.996 0.122 -4.882 1.00 0.00 H new ATOM 0 HB3 LYS A 13 3.218 -1.615 -4.946 1.00 0.00 H new ATOM 0 HG2 LYS A 13 1.039 -1.894 -6.085 1.00 0.00 H new ATOM 0 HG3 LYS A 13 0.705 -0.180 -5.929 1.00 0.00 H new ATOM 0 HD2 LYS A 13 3.317 -0.637 -7.195 1.00 0.00 H new ATOM 0 HD3 LYS A 13 2.040 -1.455 -8.072 1.00 0.00 H new ATOM 0 HE2 LYS A 13 0.948 0.532 -8.636 1.00 0.00 H new ATOM 0 HE3 LYS A 13 1.486 1.370 -7.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 3.143 2.229 -8.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 3.757 0.681 -8.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 2.639 1.395 -9.745 1.00 0.00 H new ATOM 179 N GLU A 14 3.636 -0.856 -2.095 1.00 0.00 N ATOM 180 CA GLU A 14 4.535 -1.293 -1.041 1.00 0.00 C ATOM 181 C GLU A 14 3.761 -1.506 0.261 1.00 0.00 C ATOM 182 O GLU A 14 4.073 -2.413 1.032 1.00 0.00 O ATOM 183 CB GLU A 14 5.676 -0.294 -0.843 1.00 0.00 C ATOM 184 CG GLU A 14 6.740 -0.453 -1.931 1.00 0.00 C ATOM 185 CD GLU A 14 8.098 0.064 -1.450 1.00 0.00 C ATOM 186 OE1 GLU A 14 8.315 1.288 -1.576 1.00 0.00 O ATOM 187 OE2 GLU A 14 8.887 -0.777 -0.968 1.00 0.00 O ATOM 0 H GLU A 14 3.906 0.016 -2.551 1.00 0.00 H new ATOM 0 HA GLU A 14 4.977 -2.244 -1.339 1.00 0.00 H new ATOM 0 HB2 GLU A 14 5.282 0.722 -0.861 1.00 0.00 H new ATOM 0 HB3 GLU A 14 6.128 -0.443 0.137 1.00 0.00 H new ATOM 0 HG2 GLU A 14 6.825 -1.503 -2.211 1.00 0.00 H new ATOM 0 HG3 GLU A 14 6.435 0.091 -2.825 1.00 0.00 H new ATOM 194 N LEU A 15 2.766 -0.655 0.467 1.00 0.00 N ATOM 195 CA LEU A 15 1.945 -0.739 1.663 1.00 0.00 C ATOM 196 C LEU A 15 1.358 -2.147 1.776 1.00 0.00 C ATOM 197 O LEU A 15 1.762 -2.925 2.639 1.00 0.00 O ATOM 198 CB LEU A 15 0.890 0.369 1.667 1.00 0.00 C ATOM 199 CG LEU A 15 -0.391 0.073 2.450 1.00 0.00 C ATOM 200 CD1 LEU A 15 -0.116 0.026 3.954 1.00 0.00 C ATOM 201 CD2 LEU A 15 -1.492 1.075 2.099 1.00 0.00 C ATOM 0 H LEU A 15 2.510 0.096 -0.174 1.00 0.00 H new ATOM 0 HA LEU A 15 2.551 -0.574 2.554 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.342 1.272 2.077 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.618 0.589 0.634 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.750 -0.914 2.158 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.043 -0.186 4.487 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.612 -0.757 4.166 1.00 0.00 H new ATOM 0 HD13 LEU A 15 0.279 0.987 4.282 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.391 0.842 2.669 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.158 2.083 2.344 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.712 1.015 1.033 1.00 0.00 H new ATOM 213 N PHE A 16 0.414 -2.433 0.891 1.00 0.00 N ATOM 214 CA PHE A 16 -0.232 -3.734 0.880 1.00 0.00 C ATOM 215 C PHE A 16 0.799 -4.860 0.974 1.00 0.00 C ATOM 216 O PHE A 16 0.594 -5.836 1.694 1.00 0.00 O ATOM 217 CB PHE A 16 -0.978 -3.853 -0.451 1.00 0.00 C ATOM 218 CG PHE A 16 -2.353 -3.180 -0.455 1.00 0.00 C ATOM 219 CD1 PHE A 16 -3.238 -3.437 0.544 1.00 0.00 C ATOM 220 CD2 PHE A 16 -2.688 -2.325 -1.459 1.00 0.00 C ATOM 221 CE1 PHE A 16 -4.515 -2.813 0.540 1.00 0.00 C ATOM 222 CE2 PHE A 16 -3.964 -1.702 -1.463 1.00 0.00 C ATOM 223 CZ PHE A 16 -4.850 -1.959 -0.463 1.00 0.00 C ATOM 0 H PHE A 16 0.081 -1.786 0.176 1.00 0.00 H new ATOM 0 HA PHE A 16 -0.905 -3.821 1.733 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -0.367 -3.413 -1.239 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -1.100 -4.908 -0.694 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -2.971 -4.115 1.341 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -1.984 -2.120 -2.252 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -5.219 -3.017 1.333 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -4.231 -1.024 -2.260 1.00 0.00 H new ATOM 0 HZ PHE A 16 -5.820 -1.484 -0.466 1.00 0.00 H new ATOM 233 N ASN A 17 1.887 -4.687 0.237 1.00 0.00 N ATOM 234 CA ASN A 17 2.951 -5.676 0.228 1.00 0.00 C ATOM 235 C ASN A 17 3.576 -5.758 1.623 1.00 0.00 C ATOM 236 O ASN A 17 3.817 -6.850 2.135 1.00 0.00 O ATOM 237 CB ASN A 17 4.052 -5.291 -0.762 1.00 0.00 C ATOM 238 CG ASN A 17 3.510 -5.239 -2.192 1.00 0.00 C ATOM 239 OD1 ASN A 17 2.331 -5.040 -2.429 1.00 0.00 O ATOM 240 ND2 ASN A 17 4.436 -5.427 -3.128 1.00 0.00 N ATOM 0 H ASN A 17 2.054 -3.876 -0.358 1.00 0.00 H new ATOM 0 HA ASN A 17 2.520 -6.633 -0.066 1.00 0.00 H new ATOM 0 HB2 ASN A 17 4.466 -4.320 -0.491 1.00 0.00 H new ATOM 0 HB3 ASN A 17 4.867 -6.013 -0.704 1.00 0.00 H new ATOM 0 HD21 ASN A 17 4.175 -5.409 -4.114 1.00 0.00 H new ATOM 0 HD22 ASN A 17 5.407 -5.589 -2.860 1.00 0.00 H new ATOM 247 N GLU A 18 3.821 -4.589 2.197 1.00 0.00 N ATOM 248 CA GLU A 18 4.413 -4.516 3.521 1.00 0.00 C ATOM 249 C GLU A 18 3.576 -5.314 4.522 1.00 0.00 C ATOM 250 O GLU A 18 4.117 -6.072 5.325 1.00 0.00 O ATOM 251 CB GLU A 18 4.569 -3.062 3.972 1.00 0.00 C ATOM 252 CG GLU A 18 5.677 -2.360 3.186 1.00 0.00 C ATOM 253 CD GLU A 18 6.937 -2.199 4.039 1.00 0.00 C ATOM 254 OE1 GLU A 18 7.238 -3.150 4.792 1.00 0.00 O ATOM 255 OE2 GLU A 18 7.571 -1.127 3.919 1.00 0.00 O ATOM 0 H GLU A 18 3.620 -3.685 1.769 1.00 0.00 H new ATOM 0 HA GLU A 18 5.409 -4.957 3.477 1.00 0.00 H new ATOM 0 HB2 GLU A 18 3.627 -2.531 3.833 1.00 0.00 H new ATOM 0 HB3 GLU A 18 4.798 -3.031 5.037 1.00 0.00 H new ATOM 0 HG2 GLU A 18 5.911 -2.934 2.289 1.00 0.00 H new ATOM 0 HG3 GLU A 18 5.329 -1.381 2.856 1.00 0.00 H new ATOM 262 N LYS A 19 2.268 -5.115 4.442 1.00 0.00 N ATOM 263 CA LYS A 19 1.350 -5.807 5.332 1.00 0.00 C ATOM 264 C LYS A 19 1.546 -7.317 5.185 1.00 0.00 C ATOM 265 O LYS A 19 1.836 -8.007 6.162 1.00 0.00 O ATOM 266 CB LYS A 19 -0.087 -5.346 5.081 1.00 0.00 C ATOM 267 CG LYS A 19 -0.246 -3.855 5.386 1.00 0.00 C ATOM 268 CD LYS A 19 -0.260 -3.602 6.894 1.00 0.00 C ATOM 269 CE LYS A 19 0.097 -2.148 7.209 1.00 0.00 C ATOM 270 NZ LYS A 19 1.219 -2.087 8.173 1.00 0.00 N ATOM 0 H LYS A 19 1.822 -4.485 3.775 1.00 0.00 H new ATOM 0 HA LYS A 19 1.564 -5.557 6.371 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -0.359 -5.540 4.043 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -0.772 -5.923 5.703 1.00 0.00 H new ATOM 0 HG2 LYS A 19 0.571 -3.297 4.928 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -1.171 -3.486 4.943 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -1.246 -3.833 7.296 1.00 0.00 H new ATOM 0 HD3 LYS A 19 0.449 -4.269 7.385 1.00 0.00 H new ATOM 0 HE2 LYS A 19 0.370 -1.627 6.291 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -0.772 -1.635 7.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 1.449 -1.093 8.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 0.946 -2.566 9.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 2.052 -2.559 7.767 1.00 0.00 H new ATOM 284 N TYR A 20 1.379 -7.788 3.958 1.00 0.00 N ATOM 285 CA TYR A 20 1.533 -9.203 3.671 1.00 0.00 C ATOM 286 C TYR A 20 2.784 -9.766 4.350 1.00 0.00 C ATOM 287 O TYR A 20 2.704 -10.739 5.098 1.00 0.00 O ATOM 288 CB TYR A 20 1.699 -9.311 2.154 1.00 0.00 C ATOM 289 CG TYR A 20 1.212 -10.637 1.568 1.00 0.00 C ATOM 290 CD1 TYR A 20 0.021 -11.187 1.997 1.00 0.00 C ATOM 291 CD2 TYR A 20 1.965 -11.286 0.609 1.00 0.00 C ATOM 292 CE1 TYR A 20 -0.437 -12.436 1.445 1.00 0.00 C ATOM 293 CE2 TYR A 20 1.507 -12.535 0.058 1.00 0.00 C ATOM 294 CZ TYR A 20 0.328 -13.048 0.503 1.00 0.00 C ATOM 295 OH TYR A 20 -0.104 -14.228 -0.018 1.00 0.00 O ATOM 0 H TYR A 20 1.138 -7.213 3.150 1.00 0.00 H new ATOM 0 HA TYR A 20 0.674 -9.765 4.038 1.00 0.00 H new ATOM 0 HB2 TYR A 20 1.154 -8.494 1.680 1.00 0.00 H new ATOM 0 HB3 TYR A 20 2.752 -9.180 1.904 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -0.568 -10.680 2.747 1.00 0.00 H new ATOM 0 HD2 TYR A 20 2.897 -10.857 0.272 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -1.367 -12.876 1.772 1.00 0.00 H new ATOM 0 HE2 TYR A 20 2.086 -13.053 -0.692 1.00 0.00 H new ATOM 0 HH TYR A 20 0.543 -14.549 -0.681 1.00 0.00 H new ATOM 305 N GLY A 21 3.910 -9.131 4.063 1.00 0.00 N ATOM 306 CA GLY A 21 5.177 -9.557 4.636 1.00 0.00 C ATOM 307 C GLY A 21 5.041 -9.807 6.139 1.00 0.00 C ATOM 308 O GLY A 21 5.379 -10.885 6.625 1.00 0.00 O ATOM 0 H GLY A 21 3.973 -8.325 3.441 1.00 0.00 H new ATOM 0 HA2 GLY A 21 5.516 -10.467 4.141 1.00 0.00 H new ATOM 0 HA3 GLY A 21 5.936 -8.795 4.457 1.00 0.00 H new ATOM 312 N GLU A 22 4.547 -8.792 6.834 1.00 0.00 N ATOM 313 CA GLU A 22 4.362 -8.888 8.272 1.00 0.00 C ATOM 314 C GLU A 22 3.402 -10.031 8.609 1.00 0.00 C ATOM 315 O GLU A 22 3.694 -10.857 9.471 1.00 0.00 O ATOM 316 CB GLU A 22 3.863 -7.563 8.850 1.00 0.00 C ATOM 317 CG GLU A 22 4.762 -6.403 8.419 1.00 0.00 C ATOM 318 CD GLU A 22 4.984 -5.423 9.574 1.00 0.00 C ATOM 319 OE1 GLU A 22 5.351 -5.906 10.666 1.00 0.00 O ATOM 320 OE2 GLU A 22 4.780 -4.212 9.337 1.00 0.00 O ATOM 0 H GLU A 22 4.269 -7.899 6.427 1.00 0.00 H new ATOM 0 HA GLU A 22 5.327 -9.105 8.729 1.00 0.00 H new ATOM 0 HB2 GLU A 22 2.841 -7.379 8.517 1.00 0.00 H new ATOM 0 HB3 GLU A 22 3.838 -7.623 9.938 1.00 0.00 H new ATOM 0 HG2 GLU A 22 5.722 -6.790 8.076 1.00 0.00 H new ATOM 0 HG3 GLU A 22 4.309 -5.881 7.576 1.00 0.00 H new ATOM 327 N ALA A 23 2.276 -10.040 7.910 1.00 0.00 N ATOM 328 CA ALA A 23 1.271 -11.067 8.124 1.00 0.00 C ATOM 329 C ALA A 23 1.887 -12.442 7.857 1.00 0.00 C ATOM 330 O ALA A 23 1.533 -13.422 8.510 1.00 0.00 O ATOM 331 CB ALA A 23 0.059 -10.789 7.233 1.00 0.00 C ATOM 0 H ALA A 23 2.038 -9.352 7.195 1.00 0.00 H new ATOM 0 HA ALA A 23 0.926 -11.056 9.158 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -0.695 -11.560 7.394 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -0.360 -9.814 7.482 1.00 0.00 H new ATOM 0 HB3 ALA A 23 0.367 -10.795 6.187 1.00 0.00 H new ATOM 337 N LEU A 24 2.801 -12.469 6.898 1.00 0.00 N ATOM 338 CA LEU A 24 3.470 -13.707 6.537 1.00 0.00 C ATOM 339 C LEU A 24 4.436 -14.104 7.655 1.00 0.00 C ATOM 340 O LEU A 24 5.016 -15.188 7.624 1.00 0.00 O ATOM 341 CB LEU A 24 4.137 -13.576 5.166 1.00 0.00 C ATOM 342 CG LEU A 24 3.243 -13.856 3.956 1.00 0.00 C ATOM 343 CD1 LEU A 24 3.894 -13.353 2.667 1.00 0.00 C ATOM 344 CD2 LEU A 24 2.882 -15.341 3.874 1.00 0.00 C ATOM 0 H LEU A 24 3.094 -11.653 6.360 1.00 0.00 H new ATOM 0 HA LEU A 24 2.746 -14.516 6.438 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.535 -12.566 5.073 1.00 0.00 H new ATOM 0 HB3 LEU A 24 4.987 -14.258 5.131 1.00 0.00 H new ATOM 0 HG LEU A 24 2.312 -13.304 4.083 1.00 0.00 H new ATOM 0 HD11 LEU A 24 3.239 -13.564 1.822 1.00 0.00 H new ATOM 0 HD12 LEU A 24 4.059 -12.278 2.738 1.00 0.00 H new ATOM 0 HD13 LEU A 24 4.849 -13.858 2.521 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.246 -15.513 3.006 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.793 -15.932 3.780 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.349 -15.636 4.778 1.00 0.00 H new ATOM 356 N GLY A 25 4.580 -13.205 8.618 1.00 0.00 N ATOM 357 CA GLY A 25 5.465 -13.447 9.743 1.00 0.00 C ATOM 358 C GLY A 25 6.924 -13.191 9.359 1.00 0.00 C ATOM 359 O GLY A 25 7.838 -13.604 10.070 1.00 0.00 O ATOM 0 H GLY A 25 4.097 -12.307 8.641 1.00 0.00 H new ATOM 0 HA2 GLY A 25 5.186 -12.801 10.575 1.00 0.00 H new ATOM 0 HA3 GLY A 25 5.351 -14.475 10.085 1.00 0.00 H new ATOM 363 N LEU A 26 7.096 -12.513 8.234 1.00 0.00 N ATOM 364 CA LEU A 26 8.427 -12.196 7.746 1.00 0.00 C ATOM 365 C LEU A 26 8.802 -10.778 8.181 1.00 0.00 C ATOM 366 O LEU A 26 8.023 -10.105 8.854 1.00 0.00 O ATOM 367 CB LEU A 26 8.511 -12.419 6.235 1.00 0.00 C ATOM 368 CG LEU A 26 7.776 -13.647 5.696 1.00 0.00 C ATOM 369 CD1 LEU A 26 8.077 -13.859 4.211 1.00 0.00 C ATOM 370 CD2 LEU A 26 8.101 -14.890 6.529 1.00 0.00 C ATOM 0 H LEU A 26 6.335 -12.174 7.646 1.00 0.00 H new ATOM 0 HA LEU A 26 9.164 -12.869 8.185 1.00 0.00 H new ATOM 0 HB2 LEU A 26 8.115 -11.535 5.735 1.00 0.00 H new ATOM 0 HB3 LEU A 26 9.562 -12.499 5.958 1.00 0.00 H new ATOM 0 HG LEU A 26 6.704 -13.469 5.785 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.542 -14.739 3.853 1.00 0.00 H new ATOM 0 HD12 LEU A 26 7.756 -12.984 3.646 1.00 0.00 H new ATOM 0 HD13 LEU A 26 9.148 -14.006 4.074 1.00 0.00 H new ATOM 0 HD21 LEU A 26 7.566 -15.749 6.125 1.00 0.00 H new ATOM 0 HD22 LEU A 26 9.173 -15.081 6.494 1.00 0.00 H new ATOM 0 HD23 LEU A 26 7.795 -14.726 7.562 1.00 0.00 H new ATOM 382 N ASN A 27 9.995 -10.365 7.778 1.00 0.00 N ATOM 383 CA ASN A 27 10.482 -9.039 8.117 1.00 0.00 C ATOM 384 C ASN A 27 10.775 -8.264 6.831 1.00 0.00 C ATOM 385 O ASN A 27 11.583 -7.336 6.833 1.00 0.00 O ATOM 386 CB ASN A 27 11.776 -9.119 8.929 1.00 0.00 C ATOM 387 CG ASN A 27 11.654 -8.334 10.236 1.00 0.00 C ATOM 388 OD1 ASN A 27 10.576 -7.953 10.662 1.00 0.00 O ATOM 389 ND2 ASN A 27 12.815 -8.116 10.847 1.00 0.00 N ATOM 0 H ASN A 27 10.639 -10.926 7.220 1.00 0.00 H new ATOM 0 HA ASN A 27 9.716 -8.539 8.710 1.00 0.00 H new ATOM 0 HB2 ASN A 27 12.008 -10.161 9.147 1.00 0.00 H new ATOM 0 HB3 ASN A 27 12.604 -8.724 8.340 1.00 0.00 H new ATOM 0 HD21 ASN A 27 12.839 -7.602 11.728 1.00 0.00 H new ATOM 0 HD22 ASN A 27 13.681 -8.463 10.435 1.00 0.00 H new ATOM 396 N ARG A 28 10.106 -8.674 5.764 1.00 0.00 N ATOM 397 CA ARG A 28 10.286 -8.031 4.475 1.00 0.00 C ATOM 398 C ARG A 28 8.949 -7.939 3.736 1.00 0.00 C ATOM 399 O ARG A 28 8.080 -8.791 3.911 1.00 0.00 O ATOM 400 CB ARG A 28 11.287 -8.799 3.611 1.00 0.00 C ATOM 401 CG ARG A 28 11.025 -10.305 3.675 1.00 0.00 C ATOM 402 CD ARG A 28 11.077 -10.930 2.279 1.00 0.00 C ATOM 403 NE ARG A 28 11.795 -12.223 2.331 1.00 0.00 N ATOM 404 CZ ARG A 28 13.080 -12.355 2.690 1.00 0.00 C ATOM 405 NH1 ARG A 28 13.794 -11.274 3.031 1.00 0.00 N ATOM 406 NH2 ARG A 28 13.649 -13.568 2.707 1.00 0.00 N ATOM 0 H ARG A 28 9.438 -9.445 5.766 1.00 0.00 H new ATOM 0 HA ARG A 28 10.674 -7.029 4.656 1.00 0.00 H new ATOM 0 HB2 ARG A 28 11.218 -8.458 2.578 1.00 0.00 H new ATOM 0 HB3 ARG A 28 12.302 -8.588 3.949 1.00 0.00 H new ATOM 0 HG2 ARG A 28 11.766 -10.780 4.318 1.00 0.00 H new ATOM 0 HG3 ARG A 28 10.049 -10.489 4.124 1.00 0.00 H new ATOM 0 HD2 ARG A 28 10.066 -11.081 1.901 1.00 0.00 H new ATOM 0 HD3 ARG A 28 11.578 -10.254 1.587 1.00 0.00 H new ATOM 0 HE ARG A 28 11.280 -13.066 2.078 1.00 0.00 H new ATOM 0 HH11 ARG A 28 13.360 -10.351 3.017 1.00 0.00 H new ATOM 0 HH12 ARG A 28 14.772 -11.374 3.304 1.00 0.00 H new ATOM 0 HH21 ARG A 28 13.105 -14.390 2.447 1.00 0.00 H new ATOM 0 HH22 ARG A 28 14.627 -13.669 2.980 1.00 0.00 H new ATOM 420 N PRO A 29 8.824 -6.871 2.905 1.00 0.00 N ATOM 421 CA PRO A 29 7.607 -6.657 2.138 1.00 0.00 C ATOM 422 C PRO A 29 7.524 -7.628 0.960 1.00 0.00 C ATOM 423 O PRO A 29 8.473 -7.753 0.187 1.00 0.00 O ATOM 424 CB PRO A 29 7.665 -5.201 1.707 1.00 0.00 C ATOM 425 CG PRO A 29 9.120 -4.782 1.847 1.00 0.00 C ATOM 426 CD PRO A 29 9.833 -5.841 2.673 1.00 0.00 C ATOM 0 HA PRO A 29 6.704 -6.851 2.717 1.00 0.00 H new ATOM 0 HB2 PRO A 29 7.322 -5.084 0.679 1.00 0.00 H new ATOM 0 HB3 PRO A 29 7.019 -4.583 2.331 1.00 0.00 H new ATOM 0 HG2 PRO A 29 9.586 -4.686 0.866 1.00 0.00 H new ATOM 0 HG3 PRO A 29 9.192 -3.808 2.331 1.00 0.00 H new ATOM 0 HD2 PRO A 29 10.695 -6.244 2.141 1.00 0.00 H new ATOM 0 HD3 PRO A 29 10.202 -5.429 3.612 1.00 0.00 H new ATOM 434 N VAL A 30 6.382 -8.289 0.858 1.00 0.00 N ATOM 435 CA VAL A 30 6.162 -9.246 -0.214 1.00 0.00 C ATOM 436 C VAL A 30 4.915 -8.842 -1.003 1.00 0.00 C ATOM 437 O VAL A 30 3.962 -8.310 -0.436 1.00 0.00 O ATOM 438 CB VAL A 30 6.076 -10.662 0.358 1.00 0.00 C ATOM 439 CG1 VAL A 30 5.667 -11.665 -0.723 1.00 0.00 C ATOM 440 CG2 VAL A 30 7.398 -11.071 1.012 1.00 0.00 C ATOM 0 H VAL A 30 5.597 -8.181 1.501 1.00 0.00 H new ATOM 0 HA VAL A 30 7.002 -9.242 -0.909 1.00 0.00 H new ATOM 0 HB VAL A 30 5.305 -10.666 1.129 1.00 0.00 H new ATOM 0 HG11 VAL A 30 5.613 -12.664 -0.291 1.00 0.00 H new ATOM 0 HG12 VAL A 30 4.691 -11.390 -1.124 1.00 0.00 H new ATOM 0 HG13 VAL A 30 6.405 -11.656 -1.525 1.00 0.00 H new ATOM 0 HG21 VAL A 30 7.309 -12.082 1.410 1.00 0.00 H new ATOM 0 HG22 VAL A 30 8.195 -11.042 0.269 1.00 0.00 H new ATOM 0 HG23 VAL A 30 7.632 -10.381 1.822 1.00 0.00 H new ATOM 450 N LEU A 31 4.962 -9.113 -2.300 1.00 0.00 N ATOM 451 CA LEU A 31 3.847 -8.785 -3.173 1.00 0.00 C ATOM 452 C LEU A 31 2.598 -9.531 -2.699 1.00 0.00 C ATOM 453 O LEU A 31 2.700 -10.569 -2.047 1.00 0.00 O ATOM 454 CB LEU A 31 4.212 -9.061 -4.634 1.00 0.00 C ATOM 455 CG LEU A 31 4.928 -7.928 -5.371 1.00 0.00 C ATOM 456 CD1 LEU A 31 5.811 -8.476 -6.493 1.00 0.00 C ATOM 457 CD2 LEU A 31 3.928 -6.888 -5.883 1.00 0.00 C ATOM 0 H LEU A 31 5.754 -9.555 -2.767 1.00 0.00 H new ATOM 0 HA LEU A 31 3.621 -7.720 -3.121 1.00 0.00 H new ATOM 0 HB2 LEU A 31 4.845 -9.948 -4.668 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.298 -9.301 -5.177 1.00 0.00 H new ATOM 0 HG LEU A 31 5.584 -7.421 -4.663 1.00 0.00 H new ATOM 0 HD11 LEU A 31 6.309 -7.650 -7.001 1.00 0.00 H new ATOM 0 HD12 LEU A 31 6.560 -9.147 -6.072 1.00 0.00 H new ATOM 0 HD13 LEU A 31 5.195 -9.022 -7.207 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.463 -6.094 -6.403 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.228 -7.364 -6.570 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.380 -6.465 -5.041 1.00 0.00 H new ATOM 469 N VAL A 32 1.448 -8.973 -3.048 1.00 0.00 N ATOM 470 CA VAL A 32 0.180 -9.572 -2.666 1.00 0.00 C ATOM 471 C VAL A 32 -0.490 -10.170 -3.906 1.00 0.00 C ATOM 472 O VAL A 32 -0.842 -9.446 -4.835 1.00 0.00 O ATOM 473 CB VAL A 32 -0.694 -8.539 -1.955 1.00 0.00 C ATOM 474 CG1 VAL A 32 -2.085 -9.106 -1.662 1.00 0.00 C ATOM 475 CG2 VAL A 32 -0.024 -8.042 -0.672 1.00 0.00 C ATOM 0 H VAL A 32 1.368 -8.113 -3.591 1.00 0.00 H new ATOM 0 HA VAL A 32 0.340 -10.385 -1.958 1.00 0.00 H new ATOM 0 HB VAL A 32 -0.813 -7.686 -2.623 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -2.686 -8.351 -1.156 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -2.568 -9.387 -2.598 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -1.993 -9.984 -1.023 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -0.667 -7.308 -0.186 1.00 0.00 H new ATOM 0 HG22 VAL A 32 0.140 -8.883 0.002 1.00 0.00 H new ATOM 0 HG23 VAL A 32 0.933 -7.580 -0.916 1.00 0.00 H new ATOM 485 N PRO A 33 -0.649 -11.520 -3.878 1.00 0.00 N ATOM 486 CA PRO A 33 -1.270 -12.224 -4.988 1.00 0.00 C ATOM 487 C PRO A 33 -2.785 -12.011 -4.993 1.00 0.00 C ATOM 488 O PRO A 33 -3.546 -12.929 -4.694 1.00 0.00 O ATOM 489 CB PRO A 33 -0.876 -13.680 -4.800 1.00 0.00 C ATOM 490 CG PRO A 33 -0.442 -13.811 -3.350 1.00 0.00 C ATOM 491 CD PRO A 33 -0.243 -12.410 -2.794 1.00 0.00 C ATOM 0 HA PRO A 33 -0.936 -11.857 -5.959 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -1.714 -14.342 -5.018 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -0.067 -13.956 -5.476 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -1.196 -14.347 -2.773 1.00 0.00 H new ATOM 0 HG3 PRO A 33 0.482 -14.385 -3.279 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -0.848 -12.249 -1.902 1.00 0.00 H new ATOM 0 HD3 PRO A 33 0.796 -12.240 -2.510 1.00 0.00 H new ATOM 499 N TYR A 34 -3.178 -10.792 -5.336 1.00 0.00 N ATOM 500 CA TYR A 34 -4.589 -10.447 -5.384 1.00 0.00 C ATOM 501 C TYR A 34 -5.353 -11.391 -6.314 1.00 0.00 C ATOM 502 O TYR A 34 -6.502 -11.736 -6.045 1.00 0.00 O ATOM 503 CB TYR A 34 -4.655 -9.027 -5.951 1.00 0.00 C ATOM 504 CG TYR A 34 -3.825 -8.006 -5.172 1.00 0.00 C ATOM 505 CD1 TYR A 34 -4.346 -7.415 -4.038 1.00 0.00 C ATOM 506 CD2 TYR A 34 -2.556 -7.675 -5.602 1.00 0.00 C ATOM 507 CE1 TYR A 34 -3.564 -6.453 -3.304 1.00 0.00 C ATOM 508 CE2 TYR A 34 -1.776 -6.713 -4.868 1.00 0.00 C ATOM 509 CZ TYR A 34 -2.317 -6.150 -3.755 1.00 0.00 C ATOM 510 OH TYR A 34 -1.580 -5.242 -3.062 1.00 0.00 O ATOM 0 H TYR A 34 -2.544 -10.032 -5.583 1.00 0.00 H new ATOM 0 HA TYR A 34 -5.038 -10.524 -4.394 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -4.313 -9.044 -6.986 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -5.695 -8.700 -5.964 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -5.339 -7.674 -3.701 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -2.148 -8.137 -6.489 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -3.959 -5.983 -2.416 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -0.782 -6.444 -5.195 1.00 0.00 H new ATOM 0 HH TYR A 34 -2.166 -4.531 -2.729 1.00 0.00 H new ATOM 520 N LYS A 35 -4.683 -11.783 -7.388 1.00 0.00 N ATOM 521 CA LYS A 35 -5.285 -12.681 -8.358 1.00 0.00 C ATOM 522 C LYS A 35 -5.728 -13.964 -7.654 1.00 0.00 C ATOM 523 O LYS A 35 -6.746 -14.555 -8.012 1.00 0.00 O ATOM 524 CB LYS A 35 -4.332 -12.921 -9.531 1.00 0.00 C ATOM 525 CG LYS A 35 -2.927 -13.271 -9.033 1.00 0.00 C ATOM 526 CD LYS A 35 -1.915 -12.203 -9.451 1.00 0.00 C ATOM 527 CE LYS A 35 -0.524 -12.810 -9.640 1.00 0.00 C ATOM 528 NZ LYS A 35 0.465 -11.754 -9.951 1.00 0.00 N ATOM 0 H LYS A 35 -3.729 -11.495 -7.607 1.00 0.00 H new ATOM 0 HA LYS A 35 -6.178 -12.230 -8.790 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -4.713 -13.730 -10.154 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -4.288 -12.030 -10.157 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.935 -13.364 -7.947 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -2.626 -14.239 -9.434 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -2.240 -11.733 -10.379 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -1.874 -11.420 -8.694 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -0.226 -13.340 -8.735 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -0.547 -13.543 -10.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 1.404 -12.184 -10.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 0.188 -11.266 -10.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 0.499 -11.069 -9.169 1.00 0.00 H new ATOM 542 N LEU A 36 -4.942 -14.359 -6.663 1.00 0.00 N ATOM 543 CA LEU A 36 -5.240 -15.563 -5.904 1.00 0.00 C ATOM 544 C LEU A 36 -6.292 -15.241 -4.840 1.00 0.00 C ATOM 545 O LEU A 36 -7.264 -15.978 -4.682 1.00 0.00 O ATOM 546 CB LEU A 36 -3.955 -16.170 -5.337 1.00 0.00 C ATOM 547 CG LEU A 36 -3.005 -16.802 -6.355 1.00 0.00 C ATOM 548 CD1 LEU A 36 -1.676 -17.182 -5.702 1.00 0.00 C ATOM 549 CD2 LEU A 36 -3.663 -17.995 -7.052 1.00 0.00 C ATOM 0 H LEU A 36 -4.099 -13.867 -6.368 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.666 -16.328 -6.553 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.414 -15.390 -4.801 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -4.228 -16.930 -4.605 1.00 0.00 H new ATOM 0 HG LEU A 36 -2.786 -16.061 -7.124 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.019 -17.629 -6.448 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -1.204 -16.289 -5.291 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.856 -17.899 -4.901 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -2.966 -18.426 -7.771 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.931 -18.747 -6.310 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -4.561 -17.662 -7.572 1.00 0.00 H new ATOM 561 N ILE A 37 -6.060 -14.142 -4.139 1.00 0.00 N ATOM 562 CA ILE A 37 -6.975 -13.714 -3.094 1.00 0.00 C ATOM 563 C ILE A 37 -8.339 -13.402 -3.713 1.00 0.00 C ATOM 564 O ILE A 37 -9.355 -13.406 -3.020 1.00 0.00 O ATOM 565 CB ILE A 37 -6.378 -12.549 -2.302 1.00 0.00 C ATOM 566 CG1 ILE A 37 -5.079 -12.966 -1.609 1.00 0.00 C ATOM 567 CG2 ILE A 37 -7.398 -11.978 -1.315 1.00 0.00 C ATOM 568 CD1 ILE A 37 -3.972 -11.940 -1.856 1.00 0.00 C ATOM 0 H ILE A 37 -5.252 -13.534 -4.274 1.00 0.00 H new ATOM 0 HA ILE A 37 -7.128 -14.515 -2.371 1.00 0.00 H new ATOM 0 HB ILE A 37 -6.127 -11.752 -3.002 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -5.251 -13.070 -0.538 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -4.764 -13.942 -1.977 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -6.949 -11.151 -0.765 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -8.271 -11.619 -1.861 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -7.703 -12.756 -0.615 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -3.060 -12.261 -1.353 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -3.785 -11.857 -2.927 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -4.281 -10.970 -1.465 1.00 0.00 H new ATOM 580 N ARG A 38 -8.318 -13.140 -5.012 1.00 0.00 N ATOM 581 CA ARG A 38 -9.540 -12.826 -5.732 1.00 0.00 C ATOM 582 C ARG A 38 -10.396 -14.083 -5.898 1.00 0.00 C ATOM 583 O ARG A 38 -11.570 -14.091 -5.532 1.00 0.00 O ATOM 584 CB ARG A 38 -9.232 -12.242 -7.112 1.00 0.00 C ATOM 585 CG ARG A 38 -10.517 -11.836 -7.835 1.00 0.00 C ATOM 586 CD ARG A 38 -10.802 -10.344 -7.653 1.00 0.00 C ATOM 587 NE ARG A 38 -12.003 -9.959 -8.426 1.00 0.00 N ATOM 588 CZ ARG A 38 -13.255 -10.294 -8.087 1.00 0.00 C ATOM 589 NH1 ARG A 38 -13.478 -11.023 -6.984 1.00 0.00 N ATOM 590 NH2 ARG A 38 -14.284 -9.901 -8.849 1.00 0.00 N ATOM 0 H ARG A 38 -7.474 -13.139 -5.584 1.00 0.00 H new ATOM 0 HA ARG A 38 -10.086 -12.084 -5.150 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -8.580 -11.375 -7.006 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -8.691 -12.976 -7.709 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -10.429 -12.066 -8.897 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -11.354 -12.419 -7.451 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -10.952 -10.121 -6.597 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -9.944 -9.759 -7.984 1.00 0.00 H new ATOM 0 HE ARG A 38 -11.869 -9.403 -9.271 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -12.695 -11.322 -6.403 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -14.431 -11.278 -6.725 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -14.115 -9.346 -9.688 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -15.237 -10.156 -8.590 1.00 0.00 H new ATOM 604 N ASP A 39 -9.775 -15.114 -6.451 1.00 0.00 N ATOM 605 CA ASP A 39 -10.465 -16.374 -6.669 1.00 0.00 C ATOM 606 C ASP A 39 -10.564 -17.133 -5.345 1.00 0.00 C ATOM 607 O ASP A 39 -11.475 -17.937 -5.153 1.00 0.00 O ATOM 608 CB ASP A 39 -9.704 -17.254 -7.663 1.00 0.00 C ATOM 609 CG ASP A 39 -9.973 -16.947 -9.137 1.00 0.00 C ATOM 610 OD1 ASP A 39 -10.248 -15.764 -9.430 1.00 0.00 O ATOM 611 OD2 ASP A 39 -9.899 -17.904 -9.939 1.00 0.00 O ATOM 0 H ASP A 39 -8.801 -15.103 -6.755 1.00 0.00 H new ATOM 0 HA ASP A 39 -11.454 -16.151 -7.068 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -8.636 -17.148 -7.475 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -9.960 -18.296 -7.472 1.00 0.00 H new ATOM 616 N SER A 40 -9.614 -16.851 -4.465 1.00 0.00 N ATOM 617 CA SER A 40 -9.583 -17.498 -3.164 1.00 0.00 C ATOM 618 C SER A 40 -9.769 -16.457 -2.059 1.00 0.00 C ATOM 619 O SER A 40 -8.799 -15.864 -1.590 1.00 0.00 O ATOM 620 CB SER A 40 -8.272 -18.261 -2.959 1.00 0.00 C ATOM 621 OG SER A 40 -8.205 -18.871 -1.673 1.00 0.00 O ATOM 0 H SER A 40 -8.860 -16.183 -4.627 1.00 0.00 H new ATOM 0 HA SER A 40 -10.401 -18.217 -3.120 1.00 0.00 H new ATOM 0 HB2 SER A 40 -8.174 -19.026 -3.729 1.00 0.00 H new ATOM 0 HB3 SER A 40 -7.432 -17.577 -3.080 1.00 0.00 H new ATOM 0 HG SER A 40 -7.435 -19.477 -1.638 1.00 0.00 H new ATOM 627 N PRO A 41 -11.056 -16.261 -1.664 1.00 0.00 N ATOM 628 CA PRO A 41 -11.381 -15.303 -0.621 1.00 0.00 C ATOM 629 C PRO A 41 -11.004 -15.844 0.759 1.00 0.00 C ATOM 630 O PRO A 41 -11.005 -15.103 1.741 1.00 0.00 O ATOM 631 CB PRO A 41 -12.873 -15.050 -0.773 1.00 0.00 C ATOM 632 CG PRO A 41 -13.413 -16.216 -1.583 1.00 0.00 C ATOM 633 CD PRO A 41 -12.231 -16.946 -2.196 1.00 0.00 C ATOM 0 HA PRO A 41 -10.820 -14.373 -0.714 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -13.360 -14.992 0.200 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -13.059 -14.103 -1.280 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -13.988 -16.888 -0.947 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -14.087 -15.860 -2.362 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -12.232 -18.001 -1.922 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -12.258 -16.899 -3.285 1.00 0.00 H new ATOM 641 N ASP A 42 -10.689 -17.130 0.789 1.00 0.00 N ATOM 642 CA ASP A 42 -10.309 -17.779 2.033 1.00 0.00 C ATOM 643 C ASP A 42 -8.814 -18.102 1.999 1.00 0.00 C ATOM 644 O ASP A 42 -8.412 -19.229 2.286 1.00 0.00 O ATOM 645 CB ASP A 42 -11.072 -19.090 2.226 1.00 0.00 C ATOM 646 CG ASP A 42 -12.482 -18.940 2.801 1.00 0.00 C ATOM 647 OD1 ASP A 42 -12.574 -18.748 4.033 1.00 0.00 O ATOM 648 OD2 ASP A 42 -13.435 -19.018 1.996 1.00 0.00 O ATOM 0 H ASP A 42 -10.689 -17.741 -0.028 1.00 0.00 H new ATOM 0 HA ASP A 42 -10.545 -17.101 2.853 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -11.141 -19.598 1.264 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -10.493 -19.736 2.887 1.00 0.00 H new ATOM 653 N ALA A 43 -8.030 -17.094 1.644 1.00 0.00 N ATOM 654 CA ALA A 43 -6.589 -17.257 1.569 1.00 0.00 C ATOM 655 C ALA A 43 -5.917 -16.257 2.511 1.00 0.00 C ATOM 656 O ALA A 43 -5.118 -16.642 3.364 1.00 0.00 O ATOM 657 CB ALA A 43 -6.131 -17.090 0.119 1.00 0.00 C ATOM 0 H ALA A 43 -8.367 -16.161 1.405 1.00 0.00 H new ATOM 0 HA ALA A 43 -6.299 -18.258 1.889 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -5.049 -17.212 0.063 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -6.614 -17.843 -0.504 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -6.403 -16.096 -0.236 1.00 0.00 H new ATOM 663 N VAL A 44 -6.265 -14.992 2.326 1.00 0.00 N ATOM 664 CA VAL A 44 -5.706 -13.933 3.149 1.00 0.00 C ATOM 665 C VAL A 44 -6.811 -12.940 3.516 1.00 0.00 C ATOM 666 O VAL A 44 -7.716 -12.692 2.721 1.00 0.00 O ATOM 667 CB VAL A 44 -4.527 -13.277 2.428 1.00 0.00 C ATOM 668 CG1 VAL A 44 -4.087 -11.999 3.145 1.00 0.00 C ATOM 669 CG2 VAL A 44 -3.359 -14.255 2.284 1.00 0.00 C ATOM 0 H VAL A 44 -6.928 -14.676 1.618 1.00 0.00 H new ATOM 0 HA VAL A 44 -5.314 -14.340 4.081 1.00 0.00 H new ATOM 0 HB VAL A 44 -4.859 -13.002 1.427 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.248 -11.553 2.612 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -4.917 -11.293 3.171 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -3.783 -12.240 4.164 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -2.534 -13.763 1.768 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.029 -14.576 3.272 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.680 -15.123 1.709 1.00 0.00 H new ATOM 679 N GLU A 45 -6.698 -12.396 4.719 1.00 0.00 N ATOM 680 CA GLU A 45 -7.677 -11.436 5.200 1.00 0.00 C ATOM 681 C GLU A 45 -7.093 -10.022 5.166 1.00 0.00 C ATOM 682 O GLU A 45 -5.969 -9.800 5.613 1.00 0.00 O ATOM 683 CB GLU A 45 -8.155 -11.799 6.608 1.00 0.00 C ATOM 684 CG GLU A 45 -8.881 -10.620 7.261 1.00 0.00 C ATOM 685 CD GLU A 45 -8.110 -10.108 8.479 1.00 0.00 C ATOM 686 OE1 GLU A 45 -8.257 -10.738 9.549 1.00 0.00 O ATOM 687 OE2 GLU A 45 -7.390 -9.099 8.312 1.00 0.00 O ATOM 0 H GLU A 45 -5.944 -12.602 5.374 1.00 0.00 H new ATOM 0 HA GLU A 45 -8.543 -11.467 4.539 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -8.822 -12.660 6.559 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -7.303 -12.091 7.221 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -8.999 -9.815 6.536 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -9.882 -10.927 7.563 1.00 0.00 H new ATOM 694 N VAL A 46 -7.884 -9.102 4.634 1.00 0.00 N ATOM 695 CA VAL A 46 -7.460 -7.716 4.536 1.00 0.00 C ATOM 696 C VAL A 46 -8.437 -6.832 5.313 1.00 0.00 C ATOM 697 O VAL A 46 -9.635 -6.828 5.031 1.00 0.00 O ATOM 698 CB VAL A 46 -7.326 -7.313 3.066 1.00 0.00 C ATOM 699 CG1 VAL A 46 -7.101 -5.804 2.930 1.00 0.00 C ATOM 700 CG2 VAL A 46 -6.205 -8.097 2.381 1.00 0.00 C ATOM 0 H VAL A 46 -8.817 -9.290 4.266 1.00 0.00 H new ATOM 0 HA VAL A 46 -6.476 -7.584 4.986 1.00 0.00 H new ATOM 0 HB VAL A 46 -8.262 -7.560 2.565 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -7.009 -5.543 1.876 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -7.946 -5.270 3.363 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -6.187 -5.524 3.454 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -6.132 -7.791 1.337 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -5.260 -7.896 2.885 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -6.424 -9.164 2.432 1.00 0.00 H new ATOM 710 N THR A 47 -7.891 -6.103 6.274 1.00 0.00 N ATOM 711 CA THR A 47 -8.700 -5.217 7.093 1.00 0.00 C ATOM 712 C THR A 47 -7.949 -3.913 7.372 1.00 0.00 C ATOM 713 O THR A 47 -6.788 -3.768 6.989 1.00 0.00 O ATOM 714 CB THR A 47 -9.094 -5.975 8.363 1.00 0.00 C ATOM 715 OG1 THR A 47 -7.917 -6.697 8.714 1.00 0.00 O ATOM 716 CG2 THR A 47 -10.134 -7.063 8.096 1.00 0.00 C ATOM 0 H THR A 47 -6.897 -6.108 6.504 1.00 0.00 H new ATOM 0 HA THR A 47 -9.613 -4.924 6.575 1.00 0.00 H new ATOM 0 HB THR A 47 -9.485 -5.273 9.099 1.00 0.00 H new ATOM 0 HG1 THR A 47 -8.012 -7.632 8.437 1.00 0.00 H new ATOM 0 HG21 THR A 47 -10.378 -7.570 9.030 1.00 0.00 H new ATOM 0 HG22 THR A 47 -11.035 -6.611 7.682 1.00 0.00 H new ATOM 0 HG23 THR A 47 -9.731 -7.785 7.386 1.00 0.00 H new ATOM 724 N GLY A 48 -8.639 -3.000 8.037 1.00 0.00 N ATOM 725 CA GLY A 48 -8.052 -1.714 8.371 1.00 0.00 C ATOM 726 C GLY A 48 -8.336 -0.680 7.279 1.00 0.00 C ATOM 727 O GLY A 48 -8.435 0.513 7.560 1.00 0.00 O ATOM 0 H GLY A 48 -9.600 -3.125 8.354 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -8.453 -1.363 9.322 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -6.975 -1.825 8.501 1.00 0.00 H new ATOM 731 N LEU A 49 -8.461 -1.177 6.058 1.00 0.00 N ATOM 732 CA LEU A 49 -8.733 -0.311 4.923 1.00 0.00 C ATOM 733 C LEU A 49 -9.818 0.698 5.303 1.00 0.00 C ATOM 734 O LEU A 49 -10.524 0.511 6.293 1.00 0.00 O ATOM 735 CB LEU A 49 -9.075 -1.143 3.685 1.00 0.00 C ATOM 736 CG LEU A 49 -7.889 -1.585 2.824 1.00 0.00 C ATOM 737 CD1 LEU A 49 -8.337 -2.548 1.724 1.00 0.00 C ATOM 738 CD2 LEU A 49 -7.142 -0.375 2.258 1.00 0.00 C ATOM 0 H LEU A 49 -8.379 -2.168 5.829 1.00 0.00 H new ATOM 0 HA LEU A 49 -7.843 0.261 4.660 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -9.615 -2.033 4.008 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -9.756 -0.565 3.060 1.00 0.00 H new ATOM 0 HG LEU A 49 -7.189 -2.128 3.460 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -7.475 -2.846 1.128 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -8.788 -3.431 2.175 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -9.068 -2.054 1.084 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -6.304 -0.716 1.650 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -7.820 0.216 1.642 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -6.769 0.239 3.078 1.00 0.00 H new ATOM 750 N PRO A 50 -9.918 1.773 4.477 1.00 0.00 N ATOM 751 CA PRO A 50 -10.905 2.812 4.718 1.00 0.00 C ATOM 752 C PRO A 50 -12.307 2.337 4.329 1.00 0.00 C ATOM 753 O PRO A 50 -12.456 1.328 3.642 1.00 0.00 O ATOM 754 CB PRO A 50 -10.432 4.001 3.899 1.00 0.00 C ATOM 755 CG PRO A 50 -9.463 3.441 2.871 1.00 0.00 C ATOM 756 CD PRO A 50 -9.099 2.028 3.296 1.00 0.00 C ATOM 0 HA PRO A 50 -10.987 3.079 5.772 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -11.271 4.499 3.414 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -9.944 4.742 4.532 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -9.918 3.437 1.880 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -8.570 4.063 2.809 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -9.311 1.309 2.504 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -8.037 1.945 3.525 1.00 0.00 H new ATOM 764 N ASP A 51 -13.299 3.088 4.785 1.00 0.00 N ATOM 765 CA ASP A 51 -14.683 2.757 4.493 1.00 0.00 C ATOM 766 C ASP A 51 -15.017 3.192 3.065 1.00 0.00 C ATOM 767 O ASP A 51 -14.536 4.222 2.598 1.00 0.00 O ATOM 768 CB ASP A 51 -15.636 3.486 5.443 1.00 0.00 C ATOM 769 CG ASP A 51 -15.126 3.641 6.878 1.00 0.00 C ATOM 770 OD1 ASP A 51 -14.061 4.277 7.035 1.00 0.00 O ATOM 771 OD2 ASP A 51 -15.811 3.120 7.784 1.00 0.00 O ATOM 0 H ASP A 51 -13.171 3.925 5.355 1.00 0.00 H new ATOM 0 HA ASP A 51 -14.805 1.681 4.615 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -15.842 4.477 5.038 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -16.584 2.948 5.466 1.00 0.00 H new ATOM 776 N ASP A 52 -15.838 2.383 2.411 1.00 0.00 N ATOM 777 CA ASP A 52 -16.242 2.671 1.046 1.00 0.00 C ATOM 778 C ASP A 52 -15.050 2.455 0.110 1.00 0.00 C ATOM 779 O ASP A 52 -14.901 3.164 -0.884 1.00 0.00 O ATOM 780 CB ASP A 52 -16.700 4.123 0.901 1.00 0.00 C ATOM 781 CG ASP A 52 -17.986 4.320 0.098 1.00 0.00 C ATOM 782 OD1 ASP A 52 -18.660 3.297 -0.153 1.00 0.00 O ATOM 783 OD2 ASP A 52 -18.269 5.487 -0.247 1.00 0.00 O ATOM 0 H ASP A 52 -16.234 1.528 2.802 1.00 0.00 H new ATOM 0 HA ASP A 52 -17.067 2.006 0.791 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -16.843 4.544 1.896 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -15.902 4.694 0.426 1.00 0.00 H new ATOM 788 N ILE A 53 -14.232 1.474 0.462 1.00 0.00 N ATOM 789 CA ILE A 53 -13.060 1.155 -0.333 1.00 0.00 C ATOM 790 C ILE A 53 -12.710 -0.323 -0.152 1.00 0.00 C ATOM 791 O ILE A 53 -12.400 -0.759 0.956 1.00 0.00 O ATOM 792 CB ILE A 53 -11.909 2.105 0.006 1.00 0.00 C ATOM 793 CG1 ILE A 53 -12.260 3.548 -0.366 1.00 0.00 C ATOM 794 CG2 ILE A 53 -10.606 1.645 -0.652 1.00 0.00 C ATOM 795 CD1 ILE A 53 -11.000 4.409 -0.473 1.00 0.00 C ATOM 0 H ILE A 53 -14.359 0.889 1.288 1.00 0.00 H new ATOM 0 HA ILE A 53 -13.267 1.305 -1.393 1.00 0.00 H new ATOM 0 HB ILE A 53 -11.752 2.079 1.084 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -12.796 3.562 -1.315 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -12.929 3.968 0.385 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -9.804 2.337 -0.395 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -10.351 0.647 -0.296 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -10.733 1.623 -1.734 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -11.278 5.429 -0.738 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -10.479 4.412 0.484 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -10.344 4.000 -1.242 1.00 0.00 H new ATOM 807 N PRO A 54 -12.775 -1.073 -1.285 1.00 0.00 N ATOM 808 CA PRO A 54 -12.470 -2.493 -1.261 1.00 0.00 C ATOM 809 C PRO A 54 -10.962 -2.728 -1.150 1.00 0.00 C ATOM 810 O PRO A 54 -10.216 -1.826 -0.772 1.00 0.00 O ATOM 811 CB PRO A 54 -13.064 -3.045 -2.547 1.00 0.00 C ATOM 812 CG PRO A 54 -13.269 -1.846 -3.459 1.00 0.00 C ATOM 813 CD PRO A 54 -13.139 -0.589 -2.614 1.00 0.00 C ATOM 0 HA PRO A 54 -12.893 -2.999 -0.393 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -12.395 -3.774 -3.005 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -14.008 -3.555 -2.354 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -12.530 -1.845 -4.260 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -14.251 -1.889 -3.931 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -12.377 0.080 -3.014 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -14.074 -0.030 -2.590 1.00 0.00 H new ATOM 821 N PHE A 55 -10.559 -3.943 -1.487 1.00 0.00 N ATOM 822 CA PHE A 55 -9.154 -4.308 -1.430 1.00 0.00 C ATOM 823 C PHE A 55 -8.728 -5.056 -2.696 1.00 0.00 C ATOM 824 O PHE A 55 -8.861 -6.276 -2.775 1.00 0.00 O ATOM 825 CB PHE A 55 -8.979 -5.233 -0.224 1.00 0.00 C ATOM 826 CG PHE A 55 -7.774 -6.170 -0.326 1.00 0.00 C ATOM 827 CD1 PHE A 55 -6.514 -5.668 -0.242 1.00 0.00 C ATOM 828 CD2 PHE A 55 -7.964 -7.506 -0.502 1.00 0.00 C ATOM 829 CE1 PHE A 55 -5.394 -6.537 -0.337 1.00 0.00 C ATOM 830 CE2 PHE A 55 -6.845 -8.375 -0.597 1.00 0.00 C ATOM 831 CZ PHE A 55 -5.585 -7.872 -0.513 1.00 0.00 C ATOM 0 H PHE A 55 -11.181 -4.688 -1.801 1.00 0.00 H new ATOM 0 HA PHE A 55 -8.541 -3.410 -1.347 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -8.878 -4.625 0.675 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -9.882 -5.831 -0.104 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -6.364 -4.608 -0.103 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -8.965 -7.905 -0.569 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -4.393 -6.138 -0.270 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -6.995 -9.435 -0.736 1.00 0.00 H new ATOM 0 HZ PHE A 55 -4.734 -8.533 -0.586 1.00 0.00 H new ATOM 841 N ARG A 56 -8.228 -4.292 -3.656 1.00 0.00 N ATOM 842 CA ARG A 56 -7.784 -4.866 -4.914 1.00 0.00 C ATOM 843 C ARG A 56 -6.466 -4.224 -5.355 1.00 0.00 C ATOM 844 O ARG A 56 -5.951 -3.332 -4.683 1.00 0.00 O ATOM 845 CB ARG A 56 -8.831 -4.667 -6.012 1.00 0.00 C ATOM 846 CG ARG A 56 -10.224 -5.068 -5.519 1.00 0.00 C ATOM 847 CD ARG A 56 -10.917 -5.988 -6.525 1.00 0.00 C ATOM 848 NE ARG A 56 -12.087 -5.302 -7.117 1.00 0.00 N ATOM 849 CZ ARG A 56 -12.794 -5.778 -8.152 1.00 0.00 C ATOM 850 NH1 ARG A 56 -12.453 -6.945 -8.715 1.00 0.00 N ATOM 851 NH2 ARG A 56 -13.840 -5.087 -8.622 1.00 0.00 N ATOM 0 H ARG A 56 -8.121 -3.280 -3.588 1.00 0.00 H new ATOM 0 HA ARG A 56 -7.638 -5.935 -4.756 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -8.839 -3.624 -6.327 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -8.565 -5.262 -6.886 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -10.142 -5.572 -4.556 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -10.829 -4.175 -5.361 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -10.217 -6.274 -7.310 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -11.235 -6.906 -6.031 1.00 0.00 H new ATOM 0 HE ARG A 56 -12.374 -4.411 -6.712 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -11.656 -7.471 -8.356 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -12.990 -7.308 -9.502 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -14.099 -4.199 -8.193 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -14.378 -5.449 -9.409 1.00 0.00 H new ATOM 865 N ASN A 57 -5.959 -4.705 -6.481 1.00 0.00 N ATOM 866 CA ASN A 57 -4.711 -4.190 -7.018 1.00 0.00 C ATOM 867 C ASN A 57 -4.779 -2.663 -7.079 1.00 0.00 C ATOM 868 O ASN A 57 -5.732 -2.101 -7.619 1.00 0.00 O ATOM 869 CB ASN A 57 -4.467 -4.709 -8.437 1.00 0.00 C ATOM 870 CG ASN A 57 -3.155 -5.494 -8.514 1.00 0.00 C ATOM 871 OD1 ASN A 57 -2.944 -6.470 -7.814 1.00 0.00 O ATOM 872 ND2 ASN A 57 -2.291 -5.015 -9.405 1.00 0.00 N ATOM 0 H ASN A 57 -6.389 -5.445 -7.036 1.00 0.00 H new ATOM 0 HA ASN A 57 -3.901 -4.522 -6.368 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -5.296 -5.348 -8.742 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -4.436 -3.872 -9.134 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -1.387 -5.470 -9.535 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -2.532 -4.193 -9.959 1.00 0.00 H new ATOM 879 N PRO A 58 -3.729 -2.017 -6.504 1.00 0.00 N ATOM 880 CA PRO A 58 -3.661 -0.566 -6.487 1.00 0.00 C ATOM 881 C PRO A 58 -3.286 -0.019 -7.867 1.00 0.00 C ATOM 882 O PRO A 58 -2.279 0.672 -8.012 1.00 0.00 O ATOM 883 CB PRO A 58 -2.635 -0.232 -5.417 1.00 0.00 C ATOM 884 CG PRO A 58 -1.830 -1.504 -5.200 1.00 0.00 C ATOM 885 CD PRO A 58 -2.584 -2.649 -5.857 1.00 0.00 C ATOM 0 HA PRO A 58 -4.621 -0.103 -6.257 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -1.991 0.588 -5.735 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -3.122 0.084 -4.494 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -0.834 -1.404 -5.632 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -1.697 -1.695 -4.135 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -1.958 -3.171 -6.581 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -2.903 -3.387 -5.121 1.00 0.00 H new ATOM 893 N ASN A 59 -4.116 -0.349 -8.845 1.00 0.00 N ATOM 894 CA ASN A 59 -3.885 0.100 -10.207 1.00 0.00 C ATOM 895 C ASN A 59 -5.190 0.652 -10.787 1.00 0.00 C ATOM 896 O ASN A 59 -5.268 0.943 -11.978 1.00 0.00 O ATOM 897 CB ASN A 59 -3.423 -1.056 -11.098 1.00 0.00 C ATOM 898 CG ASN A 59 -4.616 -1.745 -11.763 1.00 0.00 C ATOM 899 OD1 ASN A 59 -4.775 -1.737 -12.972 1.00 0.00 O ATOM 900 ND2 ASN A 59 -5.443 -2.341 -10.907 1.00 0.00 N ATOM 0 H ASN A 59 -4.950 -0.923 -8.721 1.00 0.00 H new ATOM 0 HA ASN A 59 -3.111 0.867 -10.182 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -2.742 -0.681 -11.862 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -2.866 -1.779 -10.502 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -6.269 -2.829 -11.252 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -5.250 -2.309 -9.906 1.00 0.00 H new ATOM 907 N THR A 60 -6.180 0.778 -9.915 1.00 0.00 N ATOM 908 CA THR A 60 -7.476 1.289 -10.325 1.00 0.00 C ATOM 909 C THR A 60 -7.901 2.450 -9.425 1.00 0.00 C ATOM 910 O THR A 60 -8.505 3.414 -9.892 1.00 0.00 O ATOM 911 CB THR A 60 -8.467 0.123 -10.321 1.00 0.00 C ATOM 912 OG1 THR A 60 -9.683 0.703 -9.854 1.00 0.00 O ATOM 913 CG2 THR A 60 -8.127 -0.930 -9.265 1.00 0.00 C ATOM 0 H THR A 60 -6.110 0.535 -8.927 1.00 0.00 H new ATOM 0 HA THR A 60 -7.438 1.699 -11.334 1.00 0.00 H new ATOM 0 HB THR A 60 -8.484 -0.343 -11.306 1.00 0.00 H new ATOM 0 HG1 THR A 60 -10.382 0.017 -9.822 1.00 0.00 H new ATOM 0 HG21 THR A 60 -8.861 -1.735 -9.304 1.00 0.00 H new ATOM 0 HG22 THR A 60 -7.134 -1.334 -9.461 1.00 0.00 H new ATOM 0 HG23 THR A 60 -8.144 -0.472 -8.276 1.00 0.00 H new ATOM 921 N TYR A 61 -7.569 2.320 -8.149 1.00 0.00 N ATOM 922 CA TYR A 61 -7.908 3.348 -7.178 1.00 0.00 C ATOM 923 C TYR A 61 -7.650 4.744 -7.746 1.00 0.00 C ATOM 924 O TYR A 61 -6.932 4.895 -8.734 1.00 0.00 O ATOM 925 CB TYR A 61 -6.983 3.118 -5.982 1.00 0.00 C ATOM 926 CG TYR A 61 -7.254 1.815 -5.226 1.00 0.00 C ATOM 927 CD1 TYR A 61 -8.547 1.468 -4.890 1.00 0.00 C ATOM 928 CD2 TYR A 61 -6.205 0.987 -4.881 1.00 0.00 C ATOM 929 CE1 TYR A 61 -8.801 0.242 -4.180 1.00 0.00 C ATOM 930 CE2 TYR A 61 -6.461 -0.239 -4.169 1.00 0.00 C ATOM 931 CZ TYR A 61 -7.746 -0.551 -3.855 1.00 0.00 C ATOM 932 OH TYR A 61 -7.987 -1.709 -3.183 1.00 0.00 O ATOM 0 H TYR A 61 -7.069 1.519 -7.764 1.00 0.00 H new ATOM 0 HA TYR A 61 -8.963 3.290 -6.909 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -5.950 3.116 -6.330 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -7.085 3.955 -5.291 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -9.368 2.116 -5.160 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -5.193 1.258 -5.145 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -9.808 -0.042 -3.911 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -5.650 -0.896 -3.891 1.00 0.00 H new ATOM 0 HH TYR A 61 -8.699 -1.564 -2.526 1.00 0.00 H new ATOM 942 N ASP A 62 -8.251 5.732 -7.098 1.00 0.00 N ATOM 943 CA ASP A 62 -8.096 7.111 -7.526 1.00 0.00 C ATOM 944 C ASP A 62 -7.305 7.884 -6.468 1.00 0.00 C ATOM 945 O ASP A 62 -7.147 7.415 -5.341 1.00 0.00 O ATOM 946 CB ASP A 62 -9.456 7.793 -7.691 1.00 0.00 C ATOM 947 CG ASP A 62 -10.460 7.032 -8.558 1.00 0.00 C ATOM 948 OD1 ASP A 62 -10.000 6.163 -9.329 1.00 0.00 O ATOM 949 OD2 ASP A 62 -11.666 7.337 -8.431 1.00 0.00 O ATOM 0 H ASP A 62 -8.846 5.604 -6.280 1.00 0.00 H new ATOM 0 HA ASP A 62 -7.574 7.110 -8.483 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -9.892 7.943 -6.704 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -9.300 8.781 -8.124 1.00 0.00 H new ATOM 954 N ILE A 63 -6.828 9.053 -6.868 1.00 0.00 N ATOM 955 CA ILE A 63 -6.058 9.894 -5.968 1.00 0.00 C ATOM 956 C ILE A 63 -6.675 9.836 -4.570 1.00 0.00 C ATOM 957 O ILE A 63 -5.960 9.886 -3.569 1.00 0.00 O ATOM 958 CB ILE A 63 -5.940 11.312 -6.530 1.00 0.00 C ATOM 959 CG1 ILE A 63 -4.553 11.898 -6.254 1.00 0.00 C ATOM 960 CG2 ILE A 63 -7.057 12.209 -5.994 1.00 0.00 C ATOM 961 CD1 ILE A 63 -4.595 13.427 -6.247 1.00 0.00 C ATOM 0 H ILE A 63 -6.960 9.438 -7.803 1.00 0.00 H new ATOM 0 HA ILE A 63 -5.036 9.524 -5.881 1.00 0.00 H new ATOM 0 HB ILE A 63 -6.059 11.261 -7.612 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -4.186 11.536 -5.293 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -3.851 11.553 -7.013 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -6.950 13.211 -6.409 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -8.024 11.798 -6.283 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -6.994 12.258 -4.907 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.597 13.817 -6.049 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -4.939 13.786 -7.217 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -5.279 13.769 -5.470 1.00 0.00 H new ATOM 973 N HIS A 64 -7.995 9.732 -4.543 1.00 0.00 N ATOM 974 CA HIS A 64 -8.717 9.667 -3.284 1.00 0.00 C ATOM 975 C HIS A 64 -8.398 8.347 -2.578 1.00 0.00 C ATOM 976 O HIS A 64 -7.680 8.331 -1.580 1.00 0.00 O ATOM 977 CB HIS A 64 -10.216 9.875 -3.505 1.00 0.00 C ATOM 978 CG HIS A 64 -10.547 11.009 -4.446 1.00 0.00 C ATOM 979 ND1 HIS A 64 -10.429 12.340 -4.088 1.00 0.00 N ATOM 980 CD2 HIS A 64 -10.991 10.995 -5.736 1.00 0.00 C ATOM 981 CE1 HIS A 64 -10.790 13.085 -5.122 1.00 0.00 C ATOM 982 NE2 HIS A 64 -11.138 12.250 -6.143 1.00 0.00 N ATOM 0 H HIS A 64 -8.584 9.691 -5.374 1.00 0.00 H new ATOM 0 HA HIS A 64 -8.391 10.477 -2.631 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -10.646 8.954 -3.897 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -10.692 10.064 -2.543 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -11.189 10.112 -6.326 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -10.806 14.164 -5.152 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -11.458 12.542 -7.066 1.00 0.00 H new ATOM 990 N ARG A 65 -8.949 7.274 -3.125 1.00 0.00 N ATOM 991 CA ARG A 65 -8.733 5.953 -2.560 1.00 0.00 C ATOM 992 C ARG A 65 -7.247 5.737 -2.266 1.00 0.00 C ATOM 993 O ARG A 65 -6.885 5.273 -1.186 1.00 0.00 O ATOM 994 CB ARG A 65 -9.222 4.859 -3.513 1.00 0.00 C ATOM 995 CG ARG A 65 -10.699 5.056 -3.860 1.00 0.00 C ATOM 996 CD ARG A 65 -11.436 3.715 -3.899 1.00 0.00 C ATOM 997 NE ARG A 65 -12.894 3.941 -4.000 1.00 0.00 N ATOM 998 CZ ARG A 65 -13.509 4.398 -5.099 1.00 0.00 C ATOM 999 NH1 ARG A 65 -12.795 4.682 -6.197 1.00 0.00 N ATOM 1000 NH2 ARG A 65 -14.837 4.574 -5.101 1.00 0.00 N ATOM 0 H ARG A 65 -9.544 7.292 -3.953 1.00 0.00 H new ATOM 0 HA ARG A 65 -9.303 5.892 -1.633 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -8.625 4.873 -4.425 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -9.080 3.881 -3.054 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -11.165 5.710 -3.123 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -10.786 5.551 -4.827 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -11.091 3.126 -4.749 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -11.210 3.140 -3.001 1.00 0.00 H new ATOM 0 HE ARG A 65 -13.467 3.736 -3.182 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -11.784 4.550 -6.196 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -13.263 5.030 -7.034 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -15.381 4.360 -4.265 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -15.304 4.922 -5.938 1.00 0.00 H new ATOM 1014 N LEU A 66 -6.427 6.083 -3.247 1.00 0.00 N ATOM 1015 CA LEU A 66 -4.989 5.933 -3.108 1.00 0.00 C ATOM 1016 C LEU A 66 -4.531 6.620 -1.819 1.00 0.00 C ATOM 1017 O LEU A 66 -3.687 6.093 -1.096 1.00 0.00 O ATOM 1018 CB LEU A 66 -4.273 6.440 -4.362 1.00 0.00 C ATOM 1019 CG LEU A 66 -4.254 5.483 -5.556 1.00 0.00 C ATOM 1020 CD1 LEU A 66 -3.338 6.008 -6.664 1.00 0.00 C ATOM 1021 CD2 LEU A 66 -3.871 4.068 -5.118 1.00 0.00 C ATOM 0 H LEU A 66 -6.731 6.467 -4.142 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.723 4.880 -3.021 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -4.746 7.371 -4.675 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.243 6.679 -4.097 1.00 0.00 H new ATOM 0 HG LEU A 66 -5.262 5.431 -5.969 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -3.342 5.310 -7.501 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -3.696 6.981 -7.001 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.323 6.108 -6.280 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -3.865 3.408 -5.985 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -2.879 4.083 -4.666 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -4.596 3.704 -4.390 1.00 0.00 H new ATOM 1033 N GLU A 67 -5.109 7.787 -1.571 1.00 0.00 N ATOM 1034 CA GLU A 67 -4.771 8.551 -0.382 1.00 0.00 C ATOM 1035 C GLU A 67 -5.401 7.912 0.857 1.00 0.00 C ATOM 1036 O GLU A 67 -4.706 7.609 1.826 1.00 0.00 O ATOM 1037 CB GLU A 67 -5.206 10.010 -0.527 1.00 0.00 C ATOM 1038 CG GLU A 67 -4.168 10.816 -1.312 1.00 0.00 C ATOM 1039 CD GLU A 67 -3.453 11.820 -0.405 1.00 0.00 C ATOM 1040 OE1 GLU A 67 -2.583 11.368 0.368 1.00 0.00 O ATOM 1041 OE2 GLU A 67 -3.795 13.019 -0.507 1.00 0.00 O ATOM 0 H GLU A 67 -5.809 8.221 -2.173 1.00 0.00 H new ATOM 0 HA GLU A 67 -3.688 8.539 -0.262 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.169 10.057 -1.035 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -5.344 10.452 0.460 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -3.439 10.140 -1.758 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -4.656 11.344 -2.131 1.00 0.00 H new ATOM 1048 N LYS A 68 -6.711 7.724 0.785 1.00 0.00 N ATOM 1049 CA LYS A 68 -7.442 7.126 1.889 1.00 0.00 C ATOM 1050 C LYS A 68 -6.675 5.906 2.403 1.00 0.00 C ATOM 1051 O LYS A 68 -6.392 5.804 3.596 1.00 0.00 O ATOM 1052 CB LYS A 68 -8.881 6.814 1.472 1.00 0.00 C ATOM 1053 CG LYS A 68 -9.565 8.056 0.895 1.00 0.00 C ATOM 1054 CD LYS A 68 -10.892 8.330 1.604 1.00 0.00 C ATOM 1055 CE LYS A 68 -11.621 9.515 0.966 1.00 0.00 C ATOM 1056 NZ LYS A 68 -11.335 10.761 1.712 1.00 0.00 N ATOM 0 H LYS A 68 -7.284 7.975 -0.020 1.00 0.00 H new ATOM 0 HA LYS A 68 -7.518 7.829 2.719 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -8.884 6.015 0.730 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -9.443 6.452 2.333 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -8.908 8.919 1.000 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -9.741 7.916 -0.172 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -11.523 7.443 1.557 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -10.709 8.536 2.659 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -11.308 9.626 -0.072 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -12.695 9.327 0.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -11.837 11.555 1.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -11.655 10.658 2.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -10.312 10.947 1.698 1.00 0.00 H new ATOM 1070 N ILE A 69 -6.358 5.012 1.478 1.00 0.00 N ATOM 1071 CA ILE A 69 -5.628 3.805 1.823 1.00 0.00 C ATOM 1072 C ILE A 69 -4.336 4.185 2.551 1.00 0.00 C ATOM 1073 O ILE A 69 -3.947 3.528 3.516 1.00 0.00 O ATOM 1074 CB ILE A 69 -5.402 2.941 0.581 1.00 0.00 C ATOM 1075 CG1 ILE A 69 -6.723 2.368 0.064 1.00 0.00 C ATOM 1076 CG2 ILE A 69 -4.369 1.846 0.854 1.00 0.00 C ATOM 1077 CD1 ILE A 69 -6.770 2.389 -1.466 1.00 0.00 C ATOM 0 H ILE A 69 -6.594 5.100 0.490 1.00 0.00 H new ATOM 0 HA ILE A 69 -6.212 3.191 2.508 1.00 0.00 H new ATOM 0 HB ILE A 69 -4.996 3.576 -0.207 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -6.844 1.345 0.421 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -7.556 2.946 0.465 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -4.228 1.247 -0.045 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -3.421 2.303 1.138 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -4.721 1.207 1.664 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -7.720 1.976 -1.807 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -6.673 3.416 -1.819 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -5.951 1.790 -1.863 1.00 0.00 H new ATOM 1089 N LEU A 70 -3.708 5.242 2.060 1.00 0.00 N ATOM 1090 CA LEU A 70 -2.468 5.718 2.652 1.00 0.00 C ATOM 1091 C LEU A 70 -2.761 6.305 4.034 1.00 0.00 C ATOM 1092 O LEU A 70 -1.968 6.146 4.961 1.00 0.00 O ATOM 1093 CB LEU A 70 -1.763 6.691 1.707 1.00 0.00 C ATOM 1094 CG LEU A 70 -1.113 6.071 0.467 1.00 0.00 C ATOM 1095 CD1 LEU A 70 -0.651 7.153 -0.509 1.00 0.00 C ATOM 1096 CD2 LEU A 70 0.027 5.128 0.860 1.00 0.00 C ATOM 0 H LEU A 70 -4.034 5.783 1.259 1.00 0.00 H new ATOM 0 HA LEU A 70 -1.772 4.891 2.797 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -2.487 7.437 1.379 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -0.994 7.220 2.270 1.00 0.00 H new ATOM 0 HG LEU A 70 -1.863 5.472 -0.049 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -0.193 6.685 -1.381 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -1.508 7.748 -0.825 1.00 0.00 H new ATOM 0 HD13 LEU A 70 0.078 7.798 -0.019 1.00 0.00 H new ATOM 0 HD21 LEU A 70 0.472 4.701 -0.039 1.00 0.00 H new ATOM 0 HD22 LEU A 70 0.785 5.684 1.411 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -0.363 4.327 1.488 1.00 0.00 H new ATOM 1108 N LYS A 71 -3.902 6.973 4.128 1.00 0.00 N ATOM 1109 CA LYS A 71 -4.308 7.585 5.383 1.00 0.00 C ATOM 1110 C LYS A 71 -4.649 6.489 6.393 1.00 0.00 C ATOM 1111 O LYS A 71 -4.816 6.764 7.581 1.00 0.00 O ATOM 1112 CB LYS A 71 -5.446 8.581 5.147 1.00 0.00 C ATOM 1113 CG LYS A 71 -5.032 9.994 5.564 1.00 0.00 C ATOM 1114 CD LYS A 71 -6.242 10.931 5.597 1.00 0.00 C ATOM 1115 CE LYS A 71 -5.803 12.395 5.522 1.00 0.00 C ATOM 1116 NZ LYS A 71 -5.814 13.009 6.868 1.00 0.00 N ATOM 0 H LYS A 71 -4.557 7.104 3.357 1.00 0.00 H new ATOM 0 HA LYS A 71 -3.489 8.165 5.808 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -5.726 8.576 4.094 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -6.326 8.274 5.712 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -4.563 9.964 6.548 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -4.287 10.380 4.867 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -6.906 10.703 4.763 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -6.811 10.764 6.512 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -4.802 12.459 5.095 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -6.469 12.947 4.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -5.514 14.002 6.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -6.775 12.965 7.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -5.161 12.492 7.491 1.00 0.00 H new ATOM 1130 N ALA A 72 -4.743 5.269 5.886 1.00 0.00 N ATOM 1131 CA ALA A 72 -5.061 4.130 6.731 1.00 0.00 C ATOM 1132 C ALA A 72 -3.973 3.066 6.577 1.00 0.00 C ATOM 1133 O ALA A 72 -4.199 1.892 6.868 1.00 0.00 O ATOM 1134 CB ALA A 72 -6.450 3.598 6.369 1.00 0.00 C ATOM 0 H ALA A 72 -4.605 5.044 4.901 1.00 0.00 H new ATOM 0 HA ALA A 72 -5.087 4.426 7.780 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -6.689 2.744 7.002 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -7.191 4.382 6.523 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -6.460 3.289 5.324 1.00 0.00 H new ATOM 1140 N ARG A 73 -2.812 3.515 6.120 1.00 0.00 N ATOM 1141 CA ARG A 73 -1.687 2.616 5.924 1.00 0.00 C ATOM 1142 C ARG A 73 -1.298 1.955 7.248 1.00 0.00 C ATOM 1143 O ARG A 73 -0.793 0.834 7.262 1.00 0.00 O ATOM 1144 CB ARG A 73 -0.477 3.364 5.360 1.00 0.00 C ATOM 1145 CG ARG A 73 0.049 4.392 6.365 1.00 0.00 C ATOM 1146 CD ARG A 73 1.354 5.021 5.873 1.00 0.00 C ATOM 1147 NE ARG A 73 1.948 5.855 6.941 1.00 0.00 N ATOM 1148 CZ ARG A 73 1.438 7.023 7.354 1.00 0.00 C ATOM 1149 NH1 ARG A 73 0.321 7.503 6.790 1.00 0.00 N ATOM 1150 NH2 ARG A 73 2.045 7.712 8.329 1.00 0.00 N ATOM 0 H ARG A 73 -2.627 4.489 5.880 1.00 0.00 H new ATOM 0 HA ARG A 73 -1.993 1.852 5.210 1.00 0.00 H new ATOM 0 HB2 ARG A 73 0.312 2.653 5.114 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -0.755 3.865 4.433 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -0.698 5.170 6.520 1.00 0.00 H new ATOM 0 HG3 ARG A 73 0.213 3.912 7.330 1.00 0.00 H new ATOM 0 HD2 ARG A 73 2.055 4.240 5.578 1.00 0.00 H new ATOM 0 HD3 ARG A 73 1.163 5.629 4.989 1.00 0.00 H new ATOM 0 HE ARG A 73 2.800 5.520 7.391 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -0.141 6.979 6.047 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -0.067 8.392 7.104 1.00 0.00 H new ATOM 0 HH21 ARG A 73 2.896 7.348 8.757 1.00 0.00 H new ATOM 0 HH22 ARG A 73 1.656 8.601 8.643 1.00 0.00 H new ATOM 1164 N GLU A 74 -1.550 2.679 8.329 1.00 0.00 N ATOM 1165 CA GLU A 74 -1.232 2.177 9.656 1.00 0.00 C ATOM 1166 C GLU A 74 -2.372 1.300 10.178 1.00 0.00 C ATOM 1167 O GLU A 74 -2.155 0.432 11.021 1.00 0.00 O ATOM 1168 CB GLU A 74 -0.938 3.327 10.622 1.00 0.00 C ATOM 1169 CG GLU A 74 0.565 3.592 10.718 1.00 0.00 C ATOM 1170 CD GLU A 74 1.015 3.677 12.178 1.00 0.00 C ATOM 1171 OE1 GLU A 74 0.360 4.432 12.929 1.00 0.00 O ATOM 1172 OE2 GLU A 74 2.003 2.987 12.509 1.00 0.00 O ATOM 0 H GLU A 74 -1.970 3.608 8.313 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.332 1.566 9.586 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -1.449 4.229 10.285 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -1.332 3.087 11.609 1.00 0.00 H new ATOM 0 HG2 GLU A 74 1.111 2.796 10.211 1.00 0.00 H new ATOM 0 HG3 GLU A 74 0.807 4.522 10.204 1.00 0.00 H new ATOM 1179 N HIS A 75 -3.562 1.558 9.655 1.00 0.00 N ATOM 1180 CA HIS A 75 -4.736 0.802 10.058 1.00 0.00 C ATOM 1181 C HIS A 75 -4.780 -0.523 9.294 1.00 0.00 C ATOM 1182 O HIS A 75 -4.989 -1.580 9.888 1.00 0.00 O ATOM 1183 CB HIS A 75 -6.006 1.634 9.875 1.00 0.00 C ATOM 1184 CG HIS A 75 -6.329 2.527 11.050 1.00 0.00 C ATOM 1185 ND1 HIS A 75 -6.996 2.073 12.175 1.00 0.00 N ATOM 1186 CD2 HIS A 75 -6.071 3.849 11.263 1.00 0.00 C ATOM 1187 CE1 HIS A 75 -7.128 3.085 13.019 1.00 0.00 C ATOM 1188 NE2 HIS A 75 -6.555 4.185 12.452 1.00 0.00 N ATOM 0 H HIS A 75 -3.738 2.280 8.956 1.00 0.00 H new ATOM 0 HA HIS A 75 -4.675 0.567 11.121 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -5.899 2.250 8.982 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -6.846 0.962 9.700 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -5.559 4.511 10.580 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -7.606 3.046 13.987 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -6.506 5.113 12.873 1.00 0.00 H new ATOM 1196 N VAL A 76 -4.581 -0.423 7.987 1.00 0.00 N ATOM 1197 CA VAL A 76 -4.596 -1.601 7.137 1.00 0.00 C ATOM 1198 C VAL A 76 -3.815 -2.727 7.817 1.00 0.00 C ATOM 1199 O VAL A 76 -2.705 -2.512 8.301 1.00 0.00 O ATOM 1200 CB VAL A 76 -4.054 -1.251 5.749 1.00 0.00 C ATOM 1201 CG1 VAL A 76 -3.855 -2.511 4.905 1.00 0.00 C ATOM 1202 CG2 VAL A 76 -4.970 -0.252 5.038 1.00 0.00 C ATOM 0 H VAL A 76 -4.409 0.455 7.497 1.00 0.00 H new ATOM 0 HA VAL A 76 -5.617 -1.955 6.994 1.00 0.00 H new ATOM 0 HB VAL A 76 -3.081 -0.778 5.879 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -3.469 -2.234 3.924 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -3.145 -3.173 5.401 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -4.809 -3.025 4.788 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -4.562 -0.020 4.054 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -5.964 -0.686 4.926 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -5.038 0.663 5.627 1.00 0.00 H new ATOM 1212 N ARG A 77 -4.426 -3.903 7.833 1.00 0.00 N ATOM 1213 CA ARG A 77 -3.801 -5.062 8.446 1.00 0.00 C ATOM 1214 C ARG A 77 -4.196 -6.336 7.696 1.00 0.00 C ATOM 1215 O ARG A 77 -5.351 -6.497 7.302 1.00 0.00 O ATOM 1216 CB ARG A 77 -4.211 -5.196 9.914 1.00 0.00 C ATOM 1217 CG ARG A 77 -3.743 -6.532 10.494 1.00 0.00 C ATOM 1218 CD ARG A 77 -3.082 -6.336 11.860 1.00 0.00 C ATOM 1219 NE ARG A 77 -3.926 -6.932 12.920 1.00 0.00 N ATOM 1220 CZ ARG A 77 -4.953 -6.301 13.505 1.00 0.00 C ATOM 1221 NH1 ARG A 77 -5.272 -5.054 13.137 1.00 0.00 N ATOM 1222 NH2 ARG A 77 -5.664 -6.920 14.459 1.00 0.00 N ATOM 0 H ARG A 77 -5.347 -4.078 7.431 1.00 0.00 H new ATOM 0 HA ARG A 77 -2.721 -4.924 8.393 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -3.784 -4.376 10.491 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -5.295 -5.117 10.001 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -4.593 -7.208 10.591 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -3.038 -7.003 9.809 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -2.095 -6.799 11.866 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -2.936 -5.273 12.054 1.00 0.00 H new ATOM 0 HE ARG A 77 -3.712 -7.882 13.224 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -4.733 -4.583 12.410 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -6.054 -4.575 13.583 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -5.423 -7.871 14.739 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -6.446 -6.440 14.905 1.00 0.00 H new ATOM 1236 N MET A 78 -3.215 -7.209 7.520 1.00 0.00 N ATOM 1237 CA MET A 78 -3.445 -8.463 6.824 1.00 0.00 C ATOM 1238 C MET A 78 -3.373 -9.648 7.790 1.00 0.00 C ATOM 1239 O MET A 78 -2.602 -9.626 8.748 1.00 0.00 O ATOM 1240 CB MET A 78 -2.396 -8.637 5.724 1.00 0.00 C ATOM 1241 CG MET A 78 -2.731 -7.773 4.506 1.00 0.00 C ATOM 1242 SD MET A 78 -1.438 -7.916 3.283 1.00 0.00 S ATOM 1243 CE MET A 78 -2.088 -6.837 2.018 1.00 0.00 C ATOM 0 H MET A 78 -2.259 -7.072 7.848 1.00 0.00 H new ATOM 0 HA MET A 78 -4.443 -8.435 6.386 1.00 0.00 H new ATOM 0 HB2 MET A 78 -1.413 -8.365 6.108 1.00 0.00 H new ATOM 0 HB3 MET A 78 -2.344 -9.685 5.428 1.00 0.00 H new ATOM 0 HG2 MET A 78 -3.684 -8.086 4.079 1.00 0.00 H new ATOM 0 HG3 MET A 78 -2.844 -6.732 4.808 1.00 0.00 H new ATOM 0 HE1 MET A 78 -2.020 -7.330 1.048 1.00 0.00 H new ATOM 0 HE2 MET A 78 -3.131 -6.608 2.236 1.00 0.00 H new ATOM 0 HE3 MET A 78 -1.511 -5.913 1.996 1.00 0.00 H new ATOM 1253 N VAL A 79 -4.187 -10.654 7.504 1.00 0.00 N ATOM 1254 CA VAL A 79 -4.225 -11.844 8.336 1.00 0.00 C ATOM 1255 C VAL A 79 -4.324 -13.082 7.442 1.00 0.00 C ATOM 1256 O VAL A 79 -5.307 -13.255 6.723 1.00 0.00 O ATOM 1257 CB VAL A 79 -5.371 -11.742 9.345 1.00 0.00 C ATOM 1258 CG1 VAL A 79 -5.456 -13.002 10.208 1.00 0.00 C ATOM 1259 CG2 VAL A 79 -5.225 -10.491 10.214 1.00 0.00 C ATOM 0 H VAL A 79 -4.825 -10.669 6.708 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.307 -11.934 8.916 1.00 0.00 H new ATOM 0 HB VAL A 79 -6.303 -11.656 8.786 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -6.279 -12.903 10.916 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -5.629 -13.869 9.570 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -4.521 -13.133 10.753 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -6.052 -10.442 10.923 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -4.282 -10.535 10.759 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -5.237 -9.604 9.580 1.00 0.00 H new ATOM 1269 N ILE A 80 -3.295 -13.912 7.517 1.00 0.00 N ATOM 1270 CA ILE A 80 -3.254 -15.129 6.724 1.00 0.00 C ATOM 1271 C ILE A 80 -4.356 -16.078 7.198 1.00 0.00 C ATOM 1272 O ILE A 80 -4.223 -16.718 8.239 1.00 0.00 O ATOM 1273 CB ILE A 80 -1.854 -15.745 6.760 1.00 0.00 C ATOM 1274 CG1 ILE A 80 -0.800 -14.741 6.287 1.00 0.00 C ATOM 1275 CG2 ILE A 80 -1.807 -17.046 5.956 1.00 0.00 C ATOM 1276 CD1 ILE A 80 -1.050 -14.328 4.835 1.00 0.00 C ATOM 0 H ILE A 80 -2.482 -13.766 8.115 1.00 0.00 H new ATOM 0 HA ILE A 80 -3.452 -14.908 5.675 1.00 0.00 H new ATOM 0 HB ILE A 80 -1.618 -15.996 7.794 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -0.818 -13.860 6.928 1.00 0.00 H new ATOM 0 HG13 ILE A 80 0.193 -15.181 6.378 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -0.801 -17.463 5.998 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -2.514 -17.760 6.378 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -2.073 -16.842 4.919 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -0.287 -13.614 4.523 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -1.007 -15.208 4.194 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -2.034 -13.867 4.752 1.00 0.00 H new ATOM 1288 N ILE A 81 -5.420 -16.139 6.409 1.00 0.00 N ATOM 1289 CA ILE A 81 -6.545 -16.999 6.735 1.00 0.00 C ATOM 1290 C ILE A 81 -6.171 -18.453 6.438 1.00 0.00 C ATOM 1291 O ILE A 81 -6.217 -19.303 7.326 1.00 0.00 O ATOM 1292 CB ILE A 81 -7.807 -16.528 6.010 1.00 0.00 C ATOM 1293 CG1 ILE A 81 -8.181 -15.105 6.429 1.00 0.00 C ATOM 1294 CG2 ILE A 81 -8.960 -17.510 6.224 1.00 0.00 C ATOM 1295 CD1 ILE A 81 -8.131 -14.950 7.951 1.00 0.00 C ATOM 0 H ILE A 81 -5.526 -15.607 5.545 1.00 0.00 H new ATOM 0 HA ILE A 81 -6.776 -16.939 7.799 1.00 0.00 H new ATOM 0 HB ILE A 81 -7.598 -16.504 4.940 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -7.498 -14.394 5.965 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -9.182 -14.867 6.068 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -9.845 -17.152 5.698 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -8.680 -18.490 5.837 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -9.178 -17.589 7.289 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -8.401 -13.929 8.222 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -8.833 -15.645 8.411 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -7.123 -15.165 8.306 1.00 0.00 H new