USER MOD reduce.3.24.130724 H: found=0, std=0, add=914, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 915 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 25 HIS : no HD1:sc= -7.03! C(o=-7.2!,f=-6.9!) USER MOD Set 1.2: A 114 SER OG : rot 180:sc= -0.194 USER MOD Set 2.1: A 64 GLN : amide:sc= 0 X(o=-1.9,f=-2) USER MOD Set 2.2: A 69 TYR OH : rot 180:sc= -0.0888 USER MOD Set 2.3: A 90 LYS NZ :NH3+ -127:sc= 0.00155 (180deg=-0.209) USER MOD Set 2.4: A 94 GLN : amide:sc= -1.84 K(o=-1.9,f=-6.2!) USER MOD Set 3.1: A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 31:sc= 0.455 USER MOD Single : A 20 THR OG1 : rot 77:sc= 0.421 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 CYS SG : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= -0.0466 K(o=-0.047,f=-1.6!) USER MOD Single : A 36 THR OG1 : rot 173:sc= 0.937 USER MOD Single : A 38 GLN : amide:sc= -1.51 K(o=-1.5,f=-0.42) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= -0.29 X(o=-0.29,f=-0.29) USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 49 LYS NZ :NH3+ 158:sc= -0.0998 (180deg=-0.454) USER MOD Single : A 51 THR OG1 : rot 150:sc= 0 USER MOD Single : A 53 SER OG : rot 32:sc= 0.563 USER MOD Single : A 54 HIS : no HD1:sc= -0.593 K(o=-0.59,f=-1.6!) USER MOD Single : A 56 ASN : amide:sc= -0.288 K(o=-0.29,f=-2.1!) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 HIS : no HE2:sc= -1.21 K(o=-1.2,f=-2.1!) USER MOD Single : A 61 TYR OH : rot -30:sc= 0.0912 USER MOD Single : A 63 CYS SG : rot 178:sc= 0.429 USER MOD Single : A 71 CYS SG : rot 16:sc= -0.988 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= -0.363 X(o=-0.36,f=-0.0076) USER MOD Single : A 87 ASN : amide:sc= -2.07 K(o=-2.1,f=-4.4!) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 72:sc= 1.06 USER MOD Single : A 96 THR OG1 : rot 75:sc= 1.2 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc=-0.000526 USER MOD Single : A 102 GLN : amide:sc= -0.454 K(o=-0.45,f=-2.8!) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 MET CE :methyl 135:sc= -0.0375 (180deg=-2.07!) USER MOD Single : A 110 ASN : amide:sc= -0.72 K(o=-0.72,f=-6.3!) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 120 GLN : amide:sc= -0.294 X(o=-0.29,f=-0.21) USER MOD Single : A 122 LYS NZ :NH3+ -157:sc= -0.121 (180deg=-0.565) USER MOD Single : A 123 HIS : no HD1:sc= -0.351 X(o=-0.35,f=0.079) USER MOD Single : A 124 HIS : no HD1:sc= -0.448 K(o=-0.45,f=-0.99) USER MOD ----------------------------------------------------------------- ATOM 93 N ILE A 10 -2.347 7.338 7.062 1.00 0.00 N ATOM 94 CA ILE A 10 -2.226 6.769 5.725 1.00 0.00 C ATOM 95 C ILE A 10 -3.449 7.097 4.875 1.00 0.00 C ATOM 96 O ILE A 10 -4.573 7.147 5.377 1.00 0.00 O ATOM 97 CB ILE A 10 -2.046 5.241 5.777 1.00 0.00 C ATOM 98 CG1 ILE A 10 -0.838 4.877 6.642 1.00 0.00 C ATOM 99 CG2 ILE A 10 -1.888 4.677 4.373 1.00 0.00 C ATOM 100 CD1 ILE A 10 -0.938 3.507 7.275 1.00 0.00 C ATOM 0 HA ILE A 10 -1.341 7.215 5.272 1.00 0.00 H new ATOM 0 HB ILE A 10 -2.937 4.801 6.226 1.00 0.00 H new ATOM 0 HG12 ILE A 10 0.063 4.921 6.030 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -0.726 5.624 7.428 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -1.762 3.596 4.427 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -2.776 4.910 3.785 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -1.013 5.121 3.899 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -0.047 3.317 7.874 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -1.820 3.465 7.914 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -1.019 2.751 6.494 1.00 0.00 H new ATOM 112 N LEU A 11 -3.224 7.319 3.585 1.00 0.00 N ATOM 113 CA LEU A 11 -4.308 7.640 2.663 1.00 0.00 C ATOM 114 C LEU A 11 -4.305 6.693 1.468 1.00 0.00 C ATOM 115 O LEU A 11 -5.335 6.117 1.116 1.00 0.00 O ATOM 116 CB LEU A 11 -4.183 9.087 2.182 1.00 0.00 C ATOM 117 CG LEU A 11 -4.296 10.165 3.260 1.00 0.00 C ATOM 118 CD1 LEU A 11 -3.578 11.433 2.825 1.00 0.00 C ATOM 119 CD2 LEU A 11 -5.757 10.457 3.571 1.00 0.00 C ATOM 0 H LEU A 11 -2.301 7.283 3.153 1.00 0.00 H new ATOM 0 HA LEU A 11 -5.252 7.521 3.195 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -3.221 9.201 1.682 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -4.954 9.268 1.433 1.00 0.00 H new ATOM 0 HG LEU A 11 -3.819 9.795 4.168 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.669 12.189 3.605 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.524 11.214 2.654 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -4.025 11.807 1.904 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -5.818 11.227 4.340 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -6.259 10.806 2.668 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -6.242 9.548 3.927 1.00 0.00 H new ATOM 131 N PHE A 12 -3.140 6.533 0.848 1.00 0.00 N ATOM 132 CA PHE A 12 -3.003 5.654 -0.307 1.00 0.00 C ATOM 133 C PHE A 12 -2.304 4.354 0.079 1.00 0.00 C ATOM 134 O PHE A 12 -1.255 4.368 0.722 1.00 0.00 O ATOM 135 CB PHE A 12 -2.221 6.357 -1.419 1.00 0.00 C ATOM 136 CG PHE A 12 -2.297 5.652 -2.743 1.00 0.00 C ATOM 137 CD1 PHE A 12 -1.421 4.623 -3.047 1.00 0.00 C ATOM 138 CD2 PHE A 12 -3.245 6.019 -3.685 1.00 0.00 C ATOM 139 CE1 PHE A 12 -1.489 3.972 -4.264 1.00 0.00 C ATOM 140 CE2 PHE A 12 -3.319 5.372 -4.903 1.00 0.00 C ATOM 141 CZ PHE A 12 -2.438 4.348 -5.194 1.00 0.00 C ATOM 0 H PHE A 12 -2.277 7.001 1.126 1.00 0.00 H new ATOM 0 HA PHE A 12 -4.002 5.414 -0.671 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -2.602 7.372 -1.534 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -1.176 6.441 -1.120 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -0.676 4.326 -2.324 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -3.934 6.821 -3.464 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -0.801 3.170 -4.488 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -4.064 5.666 -5.627 1.00 0.00 H new ATOM 0 HZ PHE A 12 -2.492 3.843 -6.147 1.00 0.00 H new ATOM 151 N ALA A 13 -2.893 3.231 -0.319 1.00 0.00 N ATOM 152 CA ALA A 13 -2.327 1.923 -0.017 1.00 0.00 C ATOM 153 C ALA A 13 -2.852 0.862 -0.978 1.00 0.00 C ATOM 154 O ALA A 13 -4.037 0.529 -0.964 1.00 0.00 O ATOM 155 CB ALA A 13 -2.636 1.534 1.421 1.00 0.00 C ATOM 0 H ALA A 13 -3.762 3.201 -0.852 1.00 0.00 H new ATOM 0 HA ALA A 13 -1.246 1.985 -0.141 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.207 0.555 1.633 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -2.207 2.272 2.098 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -3.716 1.496 1.564 1.00 0.00 H new ATOM 161 N VAL A 14 -1.963 0.334 -1.813 1.00 0.00 N ATOM 162 CA VAL A 14 -2.337 -0.689 -2.782 1.00 0.00 C ATOM 163 C VAL A 14 -1.304 -1.810 -2.823 1.00 0.00 C ATOM 164 O VAL A 14 -0.185 -1.657 -2.332 1.00 0.00 O ATOM 165 CB VAL A 14 -2.491 -0.096 -4.195 1.00 0.00 C ATOM 166 CG1 VAL A 14 -3.324 1.176 -4.151 1.00 0.00 C ATOM 167 CG2 VAL A 14 -1.127 0.172 -4.812 1.00 0.00 C ATOM 0 H VAL A 14 -0.978 0.598 -1.838 1.00 0.00 H new ATOM 0 HA VAL A 14 -3.297 -1.094 -2.460 1.00 0.00 H new ATOM 0 HB VAL A 14 -3.011 -0.822 -4.820 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -3.423 1.581 -5.158 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -4.313 0.950 -3.753 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -2.834 1.910 -3.511 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.255 0.591 -5.810 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.579 0.879 -4.189 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.568 -0.761 -4.879 1.00 0.00 H new ATOM 177 N VAL A 15 -1.686 -2.938 -3.415 1.00 0.00 N ATOM 178 CA VAL A 15 -0.792 -4.085 -3.522 1.00 0.00 C ATOM 179 C VAL A 15 -0.571 -4.474 -4.980 1.00 0.00 C ATOM 180 O VAL A 15 -1.493 -4.921 -5.660 1.00 0.00 O ATOM 181 CB VAL A 15 -1.345 -5.301 -2.756 1.00 0.00 C ATOM 182 CG1 VAL A 15 -0.483 -6.529 -3.009 1.00 0.00 C ATOM 183 CG2 VAL A 15 -1.433 -4.998 -1.268 1.00 0.00 C ATOM 0 H VAL A 15 -2.608 -3.082 -3.827 1.00 0.00 H new ATOM 0 HA VAL A 15 0.159 -3.788 -3.079 1.00 0.00 H new ATOM 0 HB VAL A 15 -2.350 -5.512 -3.120 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -0.889 -7.378 -2.460 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -0.477 -6.756 -4.075 1.00 0.00 H new ATOM 0 HG13 VAL A 15 0.536 -6.334 -2.674 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -1.826 -5.868 -0.742 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -0.440 -4.761 -0.886 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -2.096 -4.148 -1.108 1.00 0.00 H new ATOM 193 N ALA A 16 0.659 -4.300 -5.452 1.00 0.00 N ATOM 194 CA ALA A 16 1.003 -4.635 -6.829 1.00 0.00 C ATOM 195 C ALA A 16 2.250 -5.512 -6.885 1.00 0.00 C ATOM 196 O ALA A 16 3.220 -5.274 -6.166 1.00 0.00 O ATOM 197 CB ALA A 16 1.210 -3.368 -7.645 1.00 0.00 C ATOM 0 H ALA A 16 1.434 -3.929 -4.902 1.00 0.00 H new ATOM 0 HA ALA A 16 0.174 -5.198 -7.258 1.00 0.00 H new ATOM 0 HB1 ALA A 16 1.466 -3.634 -8.671 1.00 0.00 H new ATOM 0 HB2 ALA A 16 0.293 -2.779 -7.641 1.00 0.00 H new ATOM 0 HB3 ALA A 16 2.019 -2.783 -7.209 1.00 0.00 H new ATOM 203 N ARG A 17 2.215 -6.526 -7.743 1.00 0.00 N ATOM 204 CA ARG A 17 3.342 -7.440 -7.891 1.00 0.00 C ATOM 205 C ARG A 17 3.943 -7.339 -9.290 1.00 0.00 C ATOM 206 O ARG A 17 3.220 -7.267 -10.283 1.00 0.00 O ATOM 207 CB ARG A 17 2.900 -8.878 -7.616 1.00 0.00 C ATOM 208 CG ARG A 17 1.819 -9.374 -8.563 1.00 0.00 C ATOM 209 CD ARG A 17 1.630 -10.879 -8.453 1.00 0.00 C ATOM 210 NE ARG A 17 2.843 -11.611 -8.811 1.00 0.00 N ATOM 211 CZ ARG A 17 2.842 -12.862 -9.257 1.00 0.00 C ATOM 212 NH1 ARG A 17 1.698 -13.517 -9.400 1.00 0.00 N ATOM 213 NH2 ARG A 17 3.986 -13.460 -9.561 1.00 0.00 N ATOM 0 H ARG A 17 1.419 -6.736 -8.346 1.00 0.00 H new ATOM 0 HA ARG A 17 4.105 -7.157 -7.165 1.00 0.00 H new ATOM 0 HB2 ARG A 17 3.766 -9.536 -7.690 1.00 0.00 H new ATOM 0 HB3 ARG A 17 2.534 -8.947 -6.592 1.00 0.00 H new ATOM 0 HG2 ARG A 17 0.878 -8.871 -8.339 1.00 0.00 H new ATOM 0 HG3 ARG A 17 2.084 -9.113 -9.588 1.00 0.00 H new ATOM 0 HD2 ARG A 17 1.340 -11.134 -7.434 1.00 0.00 H new ATOM 0 HD3 ARG A 17 0.813 -11.190 -9.104 1.00 0.00 H new ATOM 0 HE ARG A 17 3.740 -11.135 -8.713 1.00 0.00 H new ATOM 0 HH11 ARG A 17 0.816 -13.060 -9.167 1.00 0.00 H new ATOM 0 HH12 ARG A 17 1.700 -14.478 -9.743 1.00 0.00 H new ATOM 0 HH21 ARG A 17 4.868 -12.959 -9.452 1.00 0.00 H new ATOM 0 HH22 ARG A 17 3.984 -14.421 -9.903 1.00 0.00 H new ATOM 227 N GLY A 18 5.271 -7.335 -9.360 1.00 0.00 N ATOM 228 CA GLY A 18 5.946 -7.242 -10.641 1.00 0.00 C ATOM 229 C GLY A 18 5.182 -6.396 -11.639 1.00 0.00 C ATOM 230 O GLY A 18 4.654 -6.910 -12.626 1.00 0.00 O ATOM 0 H GLY A 18 5.891 -7.395 -8.552 1.00 0.00 H new ATOM 0 HA2 GLY A 18 6.939 -6.817 -10.495 1.00 0.00 H new ATOM 0 HA3 GLY A 18 6.084 -8.243 -11.049 1.00 0.00 H new ATOM 234 N THR A 19 5.120 -5.093 -11.384 1.00 0.00 N ATOM 235 CA THR A 19 4.412 -4.174 -12.266 1.00 0.00 C ATOM 236 C THR A 19 3.011 -4.683 -12.581 1.00 0.00 C ATOM 237 O THR A 19 2.616 -4.770 -13.744 1.00 0.00 O ATOM 238 CB THR A 19 5.177 -3.960 -13.585 1.00 0.00 C ATOM 239 OG1 THR A 19 5.488 -5.225 -14.182 1.00 0.00 O ATOM 240 CG2 THR A 19 6.460 -3.178 -13.347 1.00 0.00 C ATOM 0 H THR A 19 5.552 -4.650 -10.573 1.00 0.00 H new ATOM 0 HA THR A 19 4.339 -3.223 -11.738 1.00 0.00 H new ATOM 0 HB THR A 19 4.540 -3.386 -14.259 1.00 0.00 H new ATOM 0 HG1 THR A 19 4.793 -5.876 -13.950 1.00 0.00 H new ATOM 0 HG21 THR A 19 6.983 -3.040 -14.293 1.00 0.00 H new ATOM 0 HG22 THR A 19 6.219 -2.205 -12.920 1.00 0.00 H new ATOM 0 HG23 THR A 19 7.099 -3.729 -12.657 1.00 0.00 H new ATOM 248 N THR A 20 2.260 -5.019 -11.536 1.00 0.00 N ATOM 249 CA THR A 20 0.901 -5.521 -11.702 1.00 0.00 C ATOM 250 C THR A 20 0.054 -5.232 -10.468 1.00 0.00 C ATOM 251 O THR A 20 0.267 -5.819 -9.406 1.00 0.00 O ATOM 252 CB THR A 20 0.891 -7.037 -11.973 1.00 0.00 C ATOM 253 OG1 THR A 20 1.804 -7.351 -13.031 1.00 0.00 O ATOM 254 CG2 THR A 20 -0.506 -7.512 -12.344 1.00 0.00 C ATOM 0 H THR A 20 2.570 -4.953 -10.566 1.00 0.00 H new ATOM 0 HA THR A 20 0.476 -5.003 -12.562 1.00 0.00 H new ATOM 0 HB THR A 20 1.201 -7.549 -11.062 1.00 0.00 H new ATOM 0 HG1 THR A 20 2.722 -7.334 -12.687 1.00 0.00 H new ATOM 0 HG21 THR A 20 -0.488 -8.586 -12.531 1.00 0.00 H new ATOM 0 HG22 THR A 20 -1.193 -7.298 -11.525 1.00 0.00 H new ATOM 0 HG23 THR A 20 -0.840 -6.993 -13.243 1.00 0.00 H new ATOM 262 N ILE A 21 -0.906 -4.325 -10.614 1.00 0.00 N ATOM 263 CA ILE A 21 -1.786 -3.960 -9.511 1.00 0.00 C ATOM 264 C ILE A 21 -2.981 -4.903 -9.426 1.00 0.00 C ATOM 265 O ILE A 21 -3.910 -4.819 -10.231 1.00 0.00 O ATOM 266 CB ILE A 21 -2.296 -2.513 -9.652 1.00 0.00 C ATOM 267 CG1 ILE A 21 -1.126 -1.559 -9.901 1.00 0.00 C ATOM 268 CG2 ILE A 21 -3.068 -2.100 -8.409 1.00 0.00 C ATOM 269 CD1 ILE A 21 -1.529 -0.279 -10.600 1.00 0.00 C ATOM 0 H ILE A 21 -1.094 -3.829 -11.485 1.00 0.00 H new ATOM 0 HA ILE A 21 -1.197 -4.041 -8.597 1.00 0.00 H new ATOM 0 HB ILE A 21 -2.970 -2.463 -10.507 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -0.660 -1.312 -8.947 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -0.373 -2.070 -10.501 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -3.422 -1.075 -8.524 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -3.921 -2.765 -8.273 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -2.416 -2.163 -7.538 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -0.650 0.349 -10.744 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -1.968 -0.516 -11.569 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -2.260 0.253 -9.991 1.00 0.00 H new ATOM 281 N LEU A 22 -2.953 -5.799 -8.446 1.00 0.00 N ATOM 282 CA LEU A 22 -4.036 -6.757 -8.254 1.00 0.00 C ATOM 283 C LEU A 22 -5.247 -6.089 -7.612 1.00 0.00 C ATOM 284 O LEU A 22 -6.379 -6.274 -8.059 1.00 0.00 O ATOM 285 CB LEU A 22 -3.562 -7.924 -7.385 1.00 0.00 C ATOM 286 CG LEU A 22 -2.330 -8.678 -7.887 1.00 0.00 C ATOM 287 CD1 LEU A 22 -1.678 -9.451 -6.751 1.00 0.00 C ATOM 288 CD2 LEU A 22 -2.706 -9.615 -9.026 1.00 0.00 C ATOM 0 H LEU A 22 -2.192 -5.882 -7.772 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.331 -7.136 -9.233 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.348 -7.544 -6.386 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -4.383 -8.634 -7.287 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.611 -7.951 -8.264 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -0.803 -9.981 -7.127 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.373 -8.758 -5.967 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.390 -10.169 -6.344 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.817 -10.143 -9.371 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -3.444 -10.337 -8.675 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -3.127 -9.037 -9.849 1.00 0.00 H new ATOM 300 N ALA A 23 -5.001 -5.311 -6.564 1.00 0.00 N ATOM 301 CA ALA A 23 -6.071 -4.611 -5.863 1.00 0.00 C ATOM 302 C ALA A 23 -5.606 -3.242 -5.378 1.00 0.00 C ATOM 303 O ALA A 23 -4.664 -3.137 -4.591 1.00 0.00 O ATOM 304 CB ALA A 23 -6.570 -5.447 -4.694 1.00 0.00 C ATOM 0 H ALA A 23 -4.070 -5.149 -6.181 1.00 0.00 H new ATOM 0 HA ALA A 23 -6.892 -4.459 -6.563 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -7.369 -4.913 -4.179 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -6.950 -6.399 -5.064 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -5.749 -5.629 -4.000 1.00 0.00 H new ATOM 310 N LYS A 24 -6.271 -2.194 -5.852 1.00 0.00 N ATOM 311 CA LYS A 24 -5.927 -0.831 -5.466 1.00 0.00 C ATOM 312 C LYS A 24 -7.113 -0.138 -4.803 1.00 0.00 C ATOM 313 O LYS A 24 -8.244 -0.224 -5.284 1.00 0.00 O ATOM 314 CB LYS A 24 -5.475 -0.032 -6.690 1.00 0.00 C ATOM 315 CG LYS A 24 -6.573 0.181 -7.718 1.00 0.00 C ATOM 316 CD LYS A 24 -6.143 1.158 -8.800 1.00 0.00 C ATOM 317 CE LYS A 24 -7.286 1.470 -9.754 1.00 0.00 C ATOM 318 NZ LYS A 24 -8.198 2.512 -9.206 1.00 0.00 N ATOM 0 H LYS A 24 -7.052 -2.263 -6.505 1.00 0.00 H new ATOM 0 HA LYS A 24 -5.108 -0.878 -4.748 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -5.103 0.939 -6.362 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -4.641 -0.550 -7.164 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -6.837 -0.774 -8.173 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -7.468 0.556 -7.223 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -5.790 2.081 -8.339 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -5.306 0.739 -9.358 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -6.881 1.808 -10.708 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -7.852 0.560 -9.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -8.963 2.696 -9.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -8.605 2.180 -8.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -7.664 3.389 -9.041 1.00 0.00 H new ATOM 332 N HIS A 25 -6.848 0.551 -3.697 1.00 0.00 N ATOM 333 CA HIS A 25 -7.894 1.261 -2.970 1.00 0.00 C ATOM 334 C HIS A 25 -7.311 2.437 -2.192 1.00 0.00 C ATOM 335 O HIS A 25 -6.624 2.250 -1.188 1.00 0.00 O ATOM 336 CB HIS A 25 -8.616 0.310 -2.015 1.00 0.00 C ATOM 337 CG HIS A 25 -9.645 0.985 -1.162 1.00 0.00 C ATOM 338 ND1 HIS A 25 -9.331 1.691 -0.020 1.00 0.00 N ATOM 339 CD2 HIS A 25 -10.991 1.060 -1.291 1.00 0.00 C ATOM 340 CE1 HIS A 25 -10.439 2.170 0.517 1.00 0.00 C ATOM 341 NE2 HIS A 25 -11.460 1.802 -0.235 1.00 0.00 N ATOM 0 H HIS A 25 -5.918 0.632 -3.285 1.00 0.00 H new ATOM 0 HA HIS A 25 -8.610 1.647 -3.696 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -9.097 -0.478 -2.595 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -7.881 -0.172 -1.370 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -11.585 0.619 -2.078 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -10.499 2.762 1.418 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -12.438 2.032 -0.060 1.00 0.00 H new ATOM 350 N ALA A 26 -7.591 3.648 -2.662 1.00 0.00 N ATOM 351 CA ALA A 26 -7.096 4.854 -2.010 1.00 0.00 C ATOM 352 C ALA A 26 -8.216 5.870 -1.811 1.00 0.00 C ATOM 353 O ALA A 26 -9.291 5.745 -2.397 1.00 0.00 O ATOM 354 CB ALA A 26 -5.963 5.466 -2.821 1.00 0.00 C ATOM 0 H ALA A 26 -8.158 3.820 -3.492 1.00 0.00 H new ATOM 0 HA ALA A 26 -6.715 4.575 -1.027 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -5.603 6.366 -2.322 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.148 4.748 -2.906 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -6.326 5.723 -3.816 1.00 0.00 H new ATOM 360 N TRP A 27 -7.956 6.874 -0.981 1.00 0.00 N ATOM 361 CA TRP A 27 -8.944 7.911 -0.705 1.00 0.00 C ATOM 362 C TRP A 27 -9.118 8.831 -1.908 1.00 0.00 C ATOM 363 O TRP A 27 -8.199 9.001 -2.710 1.00 0.00 O ATOM 364 CB TRP A 27 -8.528 8.727 0.520 1.00 0.00 C ATOM 365 CG TRP A 27 -8.866 8.061 1.820 1.00 0.00 C ATOM 366 CD1 TRP A 27 -8.207 7.014 2.399 1.00 0.00 C ATOM 367 CD2 TRP A 27 -9.945 8.395 2.699 1.00 0.00 C ATOM 368 NE1 TRP A 27 -8.812 6.677 3.586 1.00 0.00 N ATOM 369 CE2 TRP A 27 -9.880 7.510 3.793 1.00 0.00 C ATOM 370 CE3 TRP A 27 -10.958 9.357 2.670 1.00 0.00 C ATOM 371 CZ2 TRP A 27 -10.790 7.560 4.846 1.00 0.00 C ATOM 372 CZ3 TRP A 27 -11.861 9.405 3.715 1.00 0.00 C ATOM 373 CH2 TRP A 27 -11.772 8.512 4.791 1.00 0.00 C ATOM 0 H TRP A 27 -7.071 6.992 -0.488 1.00 0.00 H new ATOM 0 HA TRP A 27 -9.898 7.424 -0.502 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -7.454 8.906 0.480 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -9.015 9.701 0.481 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -7.339 6.523 1.985 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -8.514 5.928 4.211 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -11.034 10.051 1.846 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -10.723 6.872 5.676 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -12.649 10.144 3.702 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -12.493 8.576 5.593 1.00 0.00 H new ATOM 384 N CYS A 28 -10.302 9.422 -2.029 1.00 0.00 N ATOM 385 CA CYS A 28 -10.596 10.325 -3.136 1.00 0.00 C ATOM 386 C CYS A 28 -9.996 11.705 -2.887 1.00 0.00 C ATOM 387 O CYS A 28 -10.445 12.439 -2.008 1.00 0.00 O ATOM 388 CB CYS A 28 -12.107 10.442 -3.338 1.00 0.00 C ATOM 389 SG CYS A 28 -12.909 8.896 -3.825 1.00 0.00 S ATOM 0 H CYS A 28 -11.073 9.292 -1.374 1.00 0.00 H new ATOM 0 HA CYS A 28 -10.147 9.911 -4.039 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -12.560 10.798 -2.413 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -12.304 11.196 -4.100 1.00 0.00 H new ATOM 0 HG CYS A 28 -14.185 9.096 -3.969 1.00 0.00 H new ATOM 395 N GLY A 29 -8.975 12.050 -3.666 1.00 0.00 N ATOM 396 CA GLY A 29 -8.328 13.340 -3.512 1.00 0.00 C ATOM 397 C GLY A 29 -6.949 13.376 -4.141 1.00 0.00 C ATOM 398 O GLY A 29 -5.939 13.379 -3.438 1.00 0.00 O ATOM 0 H GLY A 29 -8.585 11.460 -4.400 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -8.951 14.112 -3.965 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -8.246 13.578 -2.451 1.00 0.00 H new ATOM 402 N GLY A 30 -6.906 13.402 -5.469 1.00 0.00 N ATOM 403 CA GLY A 30 -5.636 13.435 -6.170 1.00 0.00 C ATOM 404 C GLY A 30 -5.299 12.109 -6.823 1.00 0.00 C ATOM 405 O GLY A 30 -5.856 11.073 -6.463 1.00 0.00 O ATOM 0 H GLY A 30 -7.728 13.401 -6.072 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -5.665 14.214 -6.931 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -4.845 13.703 -5.470 1.00 0.00 H new ATOM 409 N ASN A 31 -4.385 12.142 -7.788 1.00 0.00 N ATOM 410 CA ASN A 31 -3.977 10.933 -8.494 1.00 0.00 C ATOM 411 C ASN A 31 -2.614 10.451 -8.005 1.00 0.00 C ATOM 412 O ASN A 31 -1.586 11.064 -8.295 1.00 0.00 O ATOM 413 CB ASN A 31 -3.928 11.190 -10.002 1.00 0.00 C ATOM 414 CG ASN A 31 -3.971 9.907 -10.809 1.00 0.00 C ATOM 415 OD1 ASN A 31 -4.447 8.876 -10.332 1.00 0.00 O ATOM 416 ND2 ASN A 31 -3.473 9.965 -12.038 1.00 0.00 N ATOM 0 H ASN A 31 -3.914 12.992 -8.098 1.00 0.00 H new ATOM 0 HA ASN A 31 -4.713 10.156 -8.288 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -4.768 11.824 -10.287 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -3.018 11.738 -10.245 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -3.475 9.133 -12.629 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -3.089 10.841 -12.392 1.00 0.00 H new ATOM 423 N PHE A 32 -2.614 9.349 -7.262 1.00 0.00 N ATOM 424 CA PHE A 32 -1.378 8.785 -6.732 1.00 0.00 C ATOM 425 C PHE A 32 -0.963 7.547 -7.522 1.00 0.00 C ATOM 426 O PHE A 32 0.223 7.319 -7.765 1.00 0.00 O ATOM 427 CB PHE A 32 -1.548 8.428 -5.254 1.00 0.00 C ATOM 428 CG PHE A 32 -1.234 9.564 -4.323 1.00 0.00 C ATOM 429 CD1 PHE A 32 -0.090 10.326 -4.501 1.00 0.00 C ATOM 430 CD2 PHE A 32 -2.082 9.871 -3.271 1.00 0.00 C ATOM 431 CE1 PHE A 32 0.202 11.372 -3.645 1.00 0.00 C ATOM 432 CE2 PHE A 32 -1.795 10.915 -2.413 1.00 0.00 C ATOM 433 CZ PHE A 32 -0.652 11.668 -2.601 1.00 0.00 C ATOM 0 H PHE A 32 -3.456 8.829 -7.013 1.00 0.00 H new ATOM 0 HA PHE A 32 -0.594 9.536 -6.829 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -2.574 8.102 -5.083 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -0.901 7.584 -5.016 1.00 0.00 H new ATOM 0 HD1 PHE A 32 0.581 10.100 -5.317 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -2.978 9.287 -3.120 1.00 0.00 H new ATOM 0 HE1 PHE A 32 1.098 11.957 -3.793 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -2.464 11.142 -1.596 1.00 0.00 H new ATOM 0 HZ PHE A 32 -0.427 12.486 -1.933 1.00 0.00 H new ATOM 443 N LEU A 33 -1.948 6.749 -7.919 1.00 0.00 N ATOM 444 CA LEU A 33 -1.687 5.532 -8.680 1.00 0.00 C ATOM 445 C LEU A 33 -0.595 5.764 -9.720 1.00 0.00 C ATOM 446 O LEU A 33 0.108 4.834 -10.112 1.00 0.00 O ATOM 447 CB LEU A 33 -2.967 5.053 -9.367 1.00 0.00 C ATOM 448 CG LEU A 33 -2.899 3.676 -10.029 1.00 0.00 C ATOM 449 CD1 LEU A 33 -2.915 2.577 -8.977 1.00 0.00 C ATOM 450 CD2 LEU A 33 -4.050 3.496 -11.007 1.00 0.00 C ATOM 0 H LEU A 33 -2.935 6.923 -7.727 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.345 4.765 -7.986 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.769 5.040 -8.629 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.244 5.785 -10.125 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.963 3.607 -10.584 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.866 1.604 -9.466 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -2.057 2.694 -8.315 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -3.834 2.644 -8.395 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -3.985 2.511 -11.468 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -4.997 3.586 -10.475 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.994 4.263 -11.780 1.00 0.00 H new ATOM 462 N GLU A 34 -0.458 7.011 -10.159 1.00 0.00 N ATOM 463 CA GLU A 34 0.550 7.365 -11.151 1.00 0.00 C ATOM 464 C GLU A 34 1.956 7.157 -10.596 1.00 0.00 C ATOM 465 O GLU A 34 2.681 6.262 -11.031 1.00 0.00 O ATOM 466 CB GLU A 34 0.374 8.819 -11.594 1.00 0.00 C ATOM 467 CG GLU A 34 1.016 9.128 -12.936 1.00 0.00 C ATOM 468 CD GLU A 34 0.759 10.552 -13.390 1.00 0.00 C ATOM 469 OE1 GLU A 34 1.216 11.487 -12.701 1.00 0.00 O ATOM 470 OE2 GLU A 34 0.101 10.731 -14.437 1.00 0.00 O ATOM 0 H GLU A 34 -1.032 7.793 -9.843 1.00 0.00 H new ATOM 0 HA GLU A 34 0.418 6.712 -12.014 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -0.690 9.047 -11.649 1.00 0.00 H new ATOM 0 HB3 GLU A 34 0.802 9.475 -10.836 1.00 0.00 H new ATOM 0 HG2 GLU A 34 2.091 8.960 -12.868 1.00 0.00 H new ATOM 0 HG3 GLU A 34 0.633 8.436 -13.686 1.00 0.00 H new ATOM 477 N VAL A 35 2.335 7.991 -9.633 1.00 0.00 N ATOM 478 CA VAL A 35 3.653 7.899 -9.017 1.00 0.00 C ATOM 479 C VAL A 35 3.895 6.509 -8.439 1.00 0.00 C ATOM 480 O VAL A 35 5.027 6.025 -8.406 1.00 0.00 O ATOM 481 CB VAL A 35 3.825 8.945 -7.899 1.00 0.00 C ATOM 482 CG1 VAL A 35 3.030 8.543 -6.666 1.00 0.00 C ATOM 483 CG2 VAL A 35 5.297 9.125 -7.560 1.00 0.00 C ATOM 0 H VAL A 35 1.748 8.738 -9.263 1.00 0.00 H new ATOM 0 HA VAL A 35 4.383 8.094 -9.803 1.00 0.00 H new ATOM 0 HB VAL A 35 3.439 9.900 -8.255 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.163 9.293 -5.887 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.973 8.470 -6.922 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.383 7.577 -6.304 1.00 0.00 H new ATOM 0 HG21 VAL A 35 5.400 9.867 -6.769 1.00 0.00 H new ATOM 0 HG22 VAL A 35 5.711 8.175 -7.223 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.836 9.462 -8.446 1.00 0.00 H new ATOM 493 N THR A 36 2.822 5.869 -7.983 1.00 0.00 N ATOM 494 CA THR A 36 2.917 4.534 -7.406 1.00 0.00 C ATOM 495 C THR A 36 3.389 3.520 -8.441 1.00 0.00 C ATOM 496 O THR A 36 4.348 2.785 -8.209 1.00 0.00 O ATOM 497 CB THR A 36 1.563 4.074 -6.832 1.00 0.00 C ATOM 498 OG1 THR A 36 1.178 4.923 -5.745 1.00 0.00 O ATOM 499 CG2 THR A 36 1.641 2.632 -6.352 1.00 0.00 C ATOM 0 H THR A 36 1.878 6.254 -8.002 1.00 0.00 H new ATOM 0 HA THR A 36 3.646 4.589 -6.598 1.00 0.00 H new ATOM 0 HB THR A 36 0.817 4.137 -7.624 1.00 0.00 H new ATOM 0 HG1 THR A 36 0.270 4.694 -5.457 1.00 0.00 H new ATOM 0 HG21 THR A 36 0.674 2.329 -5.951 1.00 0.00 H new ATOM 0 HG22 THR A 36 1.906 1.984 -7.188 1.00 0.00 H new ATOM 0 HG23 THR A 36 2.399 2.548 -5.573 1.00 0.00 H new ATOM 507 N GLU A 37 2.709 3.486 -9.583 1.00 0.00 N ATOM 508 CA GLU A 37 3.060 2.560 -10.653 1.00 0.00 C ATOM 509 C GLU A 37 4.501 2.774 -11.106 1.00 0.00 C ATOM 510 O GLU A 37 5.234 1.816 -11.352 1.00 0.00 O ATOM 511 CB GLU A 37 2.110 2.732 -11.839 1.00 0.00 C ATOM 512 CG GLU A 37 0.805 1.968 -11.690 1.00 0.00 C ATOM 513 CD GLU A 37 0.226 1.536 -13.023 1.00 0.00 C ATOM 514 OE1 GLU A 37 -0.142 2.419 -13.825 1.00 0.00 O ATOM 515 OE2 GLU A 37 0.141 0.313 -13.264 1.00 0.00 O ATOM 0 H GLU A 37 1.913 4.089 -9.791 1.00 0.00 H new ATOM 0 HA GLU A 37 2.966 1.545 -10.266 1.00 0.00 H new ATOM 0 HB2 GLU A 37 1.888 3.792 -11.965 1.00 0.00 H new ATOM 0 HB3 GLU A 37 2.613 2.401 -12.748 1.00 0.00 H new ATOM 0 HG2 GLU A 37 0.972 1.088 -11.069 1.00 0.00 H new ATOM 0 HG3 GLU A 37 0.080 2.593 -11.169 1.00 0.00 H new ATOM 522 N GLN A 38 4.900 4.037 -11.214 1.00 0.00 N ATOM 523 CA GLN A 38 6.253 4.377 -11.639 1.00 0.00 C ATOM 524 C GLN A 38 7.288 3.764 -10.703 1.00 0.00 C ATOM 525 O GLN A 38 8.289 3.203 -11.150 1.00 0.00 O ATOM 526 CB GLN A 38 6.428 5.896 -11.688 1.00 0.00 C ATOM 527 CG GLN A 38 5.580 6.572 -12.754 1.00 0.00 C ATOM 528 CD GLN A 38 5.618 5.841 -14.081 1.00 0.00 C ATOM 529 OE1 GLN A 38 6.360 6.216 -14.989 1.00 0.00 O ATOM 530 NE2 GLN A 38 4.816 4.789 -14.201 1.00 0.00 N ATOM 0 H GLN A 38 4.306 4.842 -11.013 1.00 0.00 H new ATOM 0 HA GLN A 38 6.407 3.968 -12.638 1.00 0.00 H new ATOM 0 HB2 GLN A 38 6.174 6.314 -10.714 1.00 0.00 H new ATOM 0 HB3 GLN A 38 7.478 6.127 -11.870 1.00 0.00 H new ATOM 0 HG2 GLN A 38 4.549 6.634 -12.407 1.00 0.00 H new ATOM 0 HG3 GLN A 38 5.930 7.594 -12.897 1.00 0.00 H new ATOM 0 HE21 GLN A 38 4.217 4.513 -13.423 1.00 0.00 H new ATOM 0 HE22 GLN A 38 4.799 4.257 -15.071 1.00 0.00 H new ATOM 539 N ILE A 39 7.041 3.875 -9.402 1.00 0.00 N ATOM 540 CA ILE A 39 7.952 3.331 -8.402 1.00 0.00 C ATOM 541 C ILE A 39 7.999 1.808 -8.473 1.00 0.00 C ATOM 542 O ILE A 39 9.071 1.206 -8.406 1.00 0.00 O ATOM 543 CB ILE A 39 7.544 3.755 -6.979 1.00 0.00 C ATOM 544 CG1 ILE A 39 7.624 5.277 -6.835 1.00 0.00 C ATOM 545 CG2 ILE A 39 8.432 3.073 -5.949 1.00 0.00 C ATOM 546 CD1 ILE A 39 9.040 5.809 -6.818 1.00 0.00 C ATOM 0 H ILE A 39 6.218 4.337 -9.016 1.00 0.00 H new ATOM 0 HA ILE A 39 8.941 3.734 -8.623 1.00 0.00 H new ATOM 0 HB ILE A 39 6.514 3.446 -6.804 1.00 0.00 H new ATOM 0 HG12 ILE A 39 7.080 5.741 -7.658 1.00 0.00 H new ATOM 0 HG13 ILE A 39 7.122 5.574 -5.914 1.00 0.00 H new ATOM 0 HG21 ILE A 39 8.132 3.382 -4.948 1.00 0.00 H new ATOM 0 HG22 ILE A 39 8.331 1.992 -6.040 1.00 0.00 H new ATOM 0 HG23 ILE A 39 9.471 3.356 -6.120 1.00 0.00 H new ATOM 0 HD11 ILE A 39 9.020 6.894 -6.714 1.00 0.00 H new ATOM 0 HD12 ILE A 39 9.582 5.374 -5.979 1.00 0.00 H new ATOM 0 HD13 ILE A 39 9.540 5.543 -7.750 1.00 0.00 H new ATOM 558 N LEU A 40 6.830 1.192 -8.609 1.00 0.00 N ATOM 559 CA LEU A 40 6.737 -0.262 -8.691 1.00 0.00 C ATOM 560 C LEU A 40 7.671 -0.808 -9.767 1.00 0.00 C ATOM 561 O LEU A 40 8.427 -1.749 -9.527 1.00 0.00 O ATOM 562 CB LEU A 40 5.297 -0.685 -8.988 1.00 0.00 C ATOM 563 CG LEU A 40 4.307 -0.551 -7.830 1.00 0.00 C ATOM 564 CD1 LEU A 40 2.881 -0.740 -8.324 1.00 0.00 C ATOM 565 CD2 LEU A 40 4.631 -1.554 -6.733 1.00 0.00 C ATOM 0 H LEU A 40 5.934 1.676 -8.665 1.00 0.00 H new ATOM 0 HA LEU A 40 7.040 -0.675 -7.729 1.00 0.00 H new ATOM 0 HB2 LEU A 40 4.930 -0.091 -9.825 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.305 -1.725 -9.315 1.00 0.00 H new ATOM 0 HG LEU A 40 4.396 0.453 -7.414 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.190 -0.641 -7.487 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.653 0.017 -9.074 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.777 -1.731 -8.765 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.917 -1.444 -5.917 1.00 0.00 H new ATOM 0 HD22 LEU A 40 4.570 -2.565 -7.135 1.00 0.00 H new ATOM 0 HD23 LEU A 40 5.639 -1.372 -6.360 1.00 0.00 H new ATOM 577 N ALA A 41 7.614 -0.209 -10.952 1.00 0.00 N ATOM 578 CA ALA A 41 8.458 -0.632 -12.063 1.00 0.00 C ATOM 579 C ALA A 41 9.933 -0.597 -11.676 1.00 0.00 C ATOM 580 O ALA A 41 10.782 -1.145 -12.379 1.00 0.00 O ATOM 581 CB ALA A 41 8.208 0.247 -13.279 1.00 0.00 C ATOM 0 H ALA A 41 6.992 0.570 -11.167 1.00 0.00 H new ATOM 0 HA ALA A 41 8.200 -1.661 -12.313 1.00 0.00 H new ATOM 0 HB1 ALA A 41 8.845 -0.080 -14.101 1.00 0.00 H new ATOM 0 HB2 ALA A 41 7.162 0.168 -13.576 1.00 0.00 H new ATOM 0 HB3 ALA A 41 8.438 1.284 -13.032 1.00 0.00 H new ATOM 587 N LYS A 42 10.231 0.050 -10.555 1.00 0.00 N ATOM 588 CA LYS A 42 11.603 0.156 -10.074 1.00 0.00 C ATOM 589 C LYS A 42 11.850 -0.807 -8.917 1.00 0.00 C ATOM 590 O LYS A 42 12.958 -1.316 -8.747 1.00 0.00 O ATOM 591 CB LYS A 42 11.900 1.590 -9.630 1.00 0.00 C ATOM 592 CG LYS A 42 12.119 2.552 -10.786 1.00 0.00 C ATOM 593 CD LYS A 42 11.720 3.970 -10.414 1.00 0.00 C ATOM 594 CE LYS A 42 12.809 4.663 -9.611 1.00 0.00 C ATOM 595 NZ LYS A 42 12.805 6.137 -9.826 1.00 0.00 N ATOM 0 H LYS A 42 9.540 0.509 -9.962 1.00 0.00 H new ATOM 0 HA LYS A 42 12.270 -0.110 -10.894 1.00 0.00 H new ATOM 0 HB2 LYS A 42 11.072 1.951 -9.020 1.00 0.00 H new ATOM 0 HB3 LYS A 42 12.787 1.589 -8.996 1.00 0.00 H new ATOM 0 HG2 LYS A 42 13.168 2.534 -11.082 1.00 0.00 H new ATOM 0 HG3 LYS A 42 11.539 2.224 -11.648 1.00 0.00 H new ATOM 0 HD2 LYS A 42 11.515 4.541 -11.320 1.00 0.00 H new ATOM 0 HD3 LYS A 42 10.797 3.949 -9.835 1.00 0.00 H new ATOM 0 HE2 LYS A 42 12.670 4.450 -8.551 1.00 0.00 H new ATOM 0 HE3 LYS A 42 13.781 4.258 -9.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 13.562 6.572 -9.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 12.964 6.341 -10.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 11.887 6.528 -9.534 1.00 0.00 H new ATOM 609 N ILE A 43 10.811 -1.053 -8.126 1.00 0.00 N ATOM 610 CA ILE A 43 10.915 -1.957 -6.988 1.00 0.00 C ATOM 611 C ILE A 43 11.109 -3.398 -7.446 1.00 0.00 C ATOM 612 O ILE A 43 10.325 -3.938 -8.227 1.00 0.00 O ATOM 613 CB ILE A 43 9.666 -1.879 -6.090 1.00 0.00 C ATOM 614 CG1 ILE A 43 9.425 -0.437 -5.639 1.00 0.00 C ATOM 615 CG2 ILE A 43 9.819 -2.797 -4.887 1.00 0.00 C ATOM 616 CD1 ILE A 43 8.037 -0.201 -5.085 1.00 0.00 C ATOM 0 H ILE A 43 9.888 -0.639 -8.253 1.00 0.00 H new ATOM 0 HA ILE A 43 11.786 -1.641 -6.413 1.00 0.00 H new ATOM 0 HB ILE A 43 8.802 -2.209 -6.666 1.00 0.00 H new ATOM 0 HG12 ILE A 43 10.160 -0.175 -4.878 1.00 0.00 H new ATOM 0 HG13 ILE A 43 9.589 0.232 -6.484 1.00 0.00 H new ATOM 0 HG21 ILE A 43 8.928 -2.730 -4.263 1.00 0.00 H new ATOM 0 HG22 ILE A 43 9.947 -3.825 -5.227 1.00 0.00 H new ATOM 0 HG23 ILE A 43 10.692 -2.495 -4.308 1.00 0.00 H new ATOM 0 HD11 ILE A 43 7.937 0.842 -4.785 1.00 0.00 H new ATOM 0 HD12 ILE A 43 7.296 -0.431 -5.850 1.00 0.00 H new ATOM 0 HD13 ILE A 43 7.876 -0.844 -4.220 1.00 0.00 H new ATOM 628 N PRO A 44 12.177 -4.039 -6.949 1.00 0.00 N ATOM 629 CA PRO A 44 12.498 -5.428 -7.291 1.00 0.00 C ATOM 630 C PRO A 44 11.503 -6.417 -6.693 1.00 0.00 C ATOM 631 O PRO A 44 10.592 -6.030 -5.962 1.00 0.00 O ATOM 632 CB PRO A 44 13.887 -5.632 -6.682 1.00 0.00 C ATOM 633 CG PRO A 44 13.960 -4.645 -5.568 1.00 0.00 C ATOM 634 CD PRO A 44 13.154 -3.457 -6.013 1.00 0.00 C ATOM 0 HA PRO A 44 12.460 -5.602 -8.366 1.00 0.00 H new ATOM 0 HB2 PRO A 44 14.014 -6.651 -6.317 1.00 0.00 H new ATOM 0 HB3 PRO A 44 14.672 -5.457 -7.418 1.00 0.00 H new ATOM 0 HG2 PRO A 44 13.558 -5.066 -4.647 1.00 0.00 H new ATOM 0 HG3 PRO A 44 14.993 -4.362 -5.365 1.00 0.00 H new ATOM 0 HD2 PRO A 44 12.663 -2.967 -5.172 1.00 0.00 H new ATOM 0 HD3 PRO A 44 13.778 -2.707 -6.499 1.00 0.00 H new ATOM 642 N SER A 45 11.685 -7.695 -7.008 1.00 0.00 N ATOM 643 CA SER A 45 10.801 -8.740 -6.504 1.00 0.00 C ATOM 644 C SER A 45 11.444 -9.477 -5.333 1.00 0.00 C ATOM 645 O SER A 45 10.784 -10.243 -4.631 1.00 0.00 O ATOM 646 CB SER A 45 10.459 -9.730 -7.619 1.00 0.00 C ATOM 647 OG SER A 45 11.631 -10.328 -8.147 1.00 0.00 O ATOM 0 H SER A 45 12.436 -8.032 -7.610 1.00 0.00 H new ATOM 0 HA SER A 45 9.883 -8.268 -6.154 1.00 0.00 H new ATOM 0 HB2 SER A 45 9.795 -10.503 -7.232 1.00 0.00 H new ATOM 0 HB3 SER A 45 9.920 -9.215 -8.414 1.00 0.00 H new ATOM 0 HG SER A 45 11.386 -10.958 -8.857 1.00 0.00 H new ATOM 653 N GLU A 46 12.736 -9.239 -5.129 1.00 0.00 N ATOM 654 CA GLU A 46 13.468 -9.881 -4.044 1.00 0.00 C ATOM 655 C GLU A 46 12.988 -9.373 -2.688 1.00 0.00 C ATOM 656 O GLU A 46 12.631 -8.204 -2.542 1.00 0.00 O ATOM 657 CB GLU A 46 14.970 -9.628 -4.193 1.00 0.00 C ATOM 658 CG GLU A 46 15.603 -10.384 -5.349 1.00 0.00 C ATOM 659 CD GLU A 46 17.026 -9.939 -5.628 1.00 0.00 C ATOM 660 OE1 GLU A 46 17.953 -10.490 -4.998 1.00 0.00 O ATOM 661 OE2 GLU A 46 17.212 -9.042 -6.476 1.00 0.00 O ATOM 0 H GLU A 46 13.297 -8.607 -5.700 1.00 0.00 H new ATOM 0 HA GLU A 46 13.280 -10.953 -4.098 1.00 0.00 H new ATOM 0 HB2 GLU A 46 15.138 -8.560 -4.333 1.00 0.00 H new ATOM 0 HB3 GLU A 46 15.471 -9.911 -3.267 1.00 0.00 H new ATOM 0 HG2 GLU A 46 15.597 -11.451 -5.127 1.00 0.00 H new ATOM 0 HG3 GLU A 46 14.999 -10.241 -6.245 1.00 0.00 H new ATOM 668 N ASN A 47 12.982 -10.260 -1.699 1.00 0.00 N ATOM 669 CA ASN A 47 12.544 -9.902 -0.354 1.00 0.00 C ATOM 670 C ASN A 47 13.467 -8.852 0.257 1.00 0.00 C ATOM 671 O ASN A 47 14.538 -9.175 0.769 1.00 0.00 O ATOM 672 CB ASN A 47 12.504 -11.144 0.539 1.00 0.00 C ATOM 673 CG ASN A 47 11.994 -12.368 -0.196 1.00 0.00 C ATOM 674 OD1 ASN A 47 10.836 -12.420 -0.611 1.00 0.00 O ATOM 675 ND2 ASN A 47 12.859 -13.362 -0.360 1.00 0.00 N ATOM 0 H ASN A 47 13.275 -11.231 -1.803 1.00 0.00 H new ATOM 0 HA ASN A 47 11.541 -9.481 -0.425 1.00 0.00 H new ATOM 0 HB2 ASN A 47 13.504 -11.345 0.923 1.00 0.00 H new ATOM 0 HB3 ASN A 47 11.865 -10.948 1.400 1.00 0.00 H new ATOM 0 HD21 ASN A 47 12.573 -14.212 -0.847 1.00 0.00 H new ATOM 0 HD22 ASN A 47 13.809 -13.276 0.000 1.00 0.00 H new ATOM 682 N ASN A 48 13.042 -7.594 0.200 1.00 0.00 N ATOM 683 CA ASN A 48 13.830 -6.496 0.748 1.00 0.00 C ATOM 684 C ASN A 48 12.998 -5.220 0.836 1.00 0.00 C ATOM 685 O ASN A 48 12.236 -4.898 -0.076 1.00 0.00 O ATOM 686 CB ASN A 48 15.070 -6.250 -0.114 1.00 0.00 C ATOM 687 CG ASN A 48 15.939 -5.132 0.427 1.00 0.00 C ATOM 688 OD1 ASN A 48 16.161 -5.032 1.634 1.00 0.00 O ATOM 689 ND2 ASN A 48 16.434 -4.283 -0.466 1.00 0.00 N ATOM 0 H ASN A 48 12.157 -7.310 -0.220 1.00 0.00 H new ATOM 0 HA ASN A 48 14.144 -6.775 1.754 1.00 0.00 H new ATOM 0 HB2 ASN A 48 15.657 -7.167 -0.171 1.00 0.00 H new ATOM 0 HB3 ASN A 48 14.760 -6.006 -1.130 1.00 0.00 H new ATOM 0 HD21 ASN A 48 17.025 -3.509 -0.161 1.00 0.00 H new ATOM 0 HD22 ASN A 48 16.224 -4.405 -1.457 1.00 0.00 H new ATOM 696 N LYS A 49 13.148 -4.497 1.941 1.00 0.00 N ATOM 697 CA LYS A 49 12.413 -3.256 2.149 1.00 0.00 C ATOM 698 C LYS A 49 13.358 -2.058 2.157 1.00 0.00 C ATOM 699 O LYS A 49 14.556 -2.202 2.405 1.00 0.00 O ATOM 700 CB LYS A 49 11.636 -3.314 3.466 1.00 0.00 C ATOM 701 CG LYS A 49 12.523 -3.467 4.690 1.00 0.00 C ATOM 702 CD LYS A 49 11.708 -3.783 5.933 1.00 0.00 C ATOM 703 CE LYS A 49 11.374 -5.264 6.019 1.00 0.00 C ATOM 704 NZ LYS A 49 12.590 -6.096 6.235 1.00 0.00 N ATOM 0 H LYS A 49 13.773 -4.750 2.707 1.00 0.00 H new ATOM 0 HA LYS A 49 11.710 -3.137 1.324 1.00 0.00 H new ATOM 0 HB2 LYS A 49 11.043 -2.405 3.569 1.00 0.00 H new ATOM 0 HB3 LYS A 49 10.936 -4.149 3.429 1.00 0.00 H new ATOM 0 HG2 LYS A 49 13.249 -4.262 4.518 1.00 0.00 H new ATOM 0 HG3 LYS A 49 13.088 -2.548 4.848 1.00 0.00 H new ATOM 0 HD2 LYS A 49 12.265 -3.482 6.821 1.00 0.00 H new ATOM 0 HD3 LYS A 49 10.786 -3.201 5.923 1.00 0.00 H new ATOM 0 HE2 LYS A 49 10.671 -5.431 6.835 1.00 0.00 H new ATOM 0 HE3 LYS A 49 10.878 -5.578 5.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 12.317 -7.009 6.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 13.065 -6.259 5.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 13.239 -5.602 6.881 1.00 0.00 H new ATOM 718 N LEU A 50 12.812 -0.878 1.886 1.00 0.00 N ATOM 719 CA LEU A 50 13.607 0.345 1.864 1.00 0.00 C ATOM 720 C LEU A 50 12.713 1.577 1.955 1.00 0.00 C ATOM 721 O LEU A 50 11.641 1.627 1.350 1.00 0.00 O ATOM 722 CB LEU A 50 14.451 0.406 0.589 1.00 0.00 C ATOM 723 CG LEU A 50 15.030 1.775 0.232 1.00 0.00 C ATOM 724 CD1 LEU A 50 16.349 1.620 -0.509 1.00 0.00 C ATOM 725 CD2 LEU A 50 14.038 2.573 -0.601 1.00 0.00 C ATOM 0 H LEU A 50 11.823 -0.742 1.679 1.00 0.00 H new ATOM 0 HA LEU A 50 14.269 0.334 2.730 1.00 0.00 H new ATOM 0 HB2 LEU A 50 15.275 -0.300 0.689 1.00 0.00 H new ATOM 0 HB3 LEU A 50 13.838 0.064 -0.245 1.00 0.00 H new ATOM 0 HG LEU A 50 15.219 2.321 1.156 1.00 0.00 H new ATOM 0 HD11 LEU A 50 16.746 2.605 -0.755 1.00 0.00 H new ATOM 0 HD12 LEU A 50 17.061 1.089 0.123 1.00 0.00 H new ATOM 0 HD13 LEU A 50 16.187 1.055 -1.427 1.00 0.00 H new ATOM 0 HD21 LEU A 50 14.467 3.545 -0.846 1.00 0.00 H new ATOM 0 HD22 LEU A 50 13.817 2.032 -1.521 1.00 0.00 H new ATOM 0 HD23 LEU A 50 13.118 2.715 -0.034 1.00 0.00 H new ATOM 737 N THR A 51 13.161 2.573 2.713 1.00 0.00 N ATOM 738 CA THR A 51 12.402 3.806 2.882 1.00 0.00 C ATOM 739 C THR A 51 12.643 4.763 1.721 1.00 0.00 C ATOM 740 O THR A 51 13.731 5.322 1.579 1.00 0.00 O ATOM 741 CB THR A 51 12.767 4.514 4.200 1.00 0.00 C ATOM 742 OG1 THR A 51 12.734 3.579 5.284 1.00 0.00 O ATOM 743 CG2 THR A 51 11.808 5.661 4.483 1.00 0.00 C ATOM 0 H THR A 51 14.046 2.550 3.220 1.00 0.00 H new ATOM 0 HA THR A 51 11.348 3.528 2.907 1.00 0.00 H new ATOM 0 HB THR A 51 13.774 4.920 4.101 1.00 0.00 H new ATOM 0 HG1 THR A 51 13.382 3.848 5.968 1.00 0.00 H new ATOM 0 HG21 THR A 51 12.086 6.145 5.419 1.00 0.00 H new ATOM 0 HG22 THR A 51 11.858 6.386 3.670 1.00 0.00 H new ATOM 0 HG23 THR A 51 10.792 5.275 4.563 1.00 0.00 H new ATOM 751 N TYR A 52 11.621 4.949 0.892 1.00 0.00 N ATOM 752 CA TYR A 52 11.723 5.839 -0.259 1.00 0.00 C ATOM 753 C TYR A 52 11.009 7.160 0.009 1.00 0.00 C ATOM 754 O TYR A 52 9.822 7.183 0.333 1.00 0.00 O ATOM 755 CB TYR A 52 11.131 5.169 -1.501 1.00 0.00 C ATOM 756 CG TYR A 52 11.783 5.607 -2.793 1.00 0.00 C ATOM 757 CD1 TYR A 52 11.951 6.955 -3.087 1.00 0.00 C ATOM 758 CD2 TYR A 52 12.229 4.674 -3.720 1.00 0.00 C ATOM 759 CE1 TYR A 52 12.545 7.360 -4.267 1.00 0.00 C ATOM 760 CE2 TYR A 52 12.825 5.070 -4.902 1.00 0.00 C ATOM 761 CZ TYR A 52 12.981 6.414 -5.170 1.00 0.00 C ATOM 762 OH TYR A 52 13.573 6.812 -6.347 1.00 0.00 O ATOM 0 H TYR A 52 10.713 4.496 0.996 1.00 0.00 H new ATOM 0 HA TYR A 52 12.779 6.047 -0.434 1.00 0.00 H new ATOM 0 HB2 TYR A 52 11.229 4.088 -1.402 1.00 0.00 H new ATOM 0 HB3 TYR A 52 10.065 5.389 -1.549 1.00 0.00 H new ATOM 0 HD1 TYR A 52 11.611 7.699 -2.381 1.00 0.00 H new ATOM 0 HD2 TYR A 52 12.108 3.621 -3.513 1.00 0.00 H new ATOM 0 HE1 TYR A 52 12.667 8.412 -4.481 1.00 0.00 H new ATOM 0 HE2 TYR A 52 13.167 4.331 -5.612 1.00 0.00 H new ATOM 0 HH TYR A 52 13.824 6.022 -6.871 1.00 0.00 H new ATOM 772 N SER A 53 11.743 8.260 -0.130 1.00 0.00 N ATOM 773 CA SER A 53 11.182 9.586 0.100 1.00 0.00 C ATOM 774 C SER A 53 10.916 10.300 -1.222 1.00 0.00 C ATOM 775 O SER A 53 11.844 10.643 -1.954 1.00 0.00 O ATOM 776 CB SER A 53 12.132 10.422 0.961 1.00 0.00 C ATOM 777 OG SER A 53 13.394 10.569 0.333 1.00 0.00 O ATOM 0 H SER A 53 12.726 8.259 -0.400 1.00 0.00 H new ATOM 0 HA SER A 53 10.235 9.467 0.626 1.00 0.00 H new ATOM 0 HB2 SER A 53 11.695 11.404 1.141 1.00 0.00 H new ATOM 0 HB3 SER A 53 12.260 9.947 1.934 1.00 0.00 H new ATOM 0 HG SER A 53 13.277 10.575 -0.640 1.00 0.00 H new ATOM 783 N HIS A 54 9.639 10.520 -1.521 1.00 0.00 N ATOM 784 CA HIS A 54 9.248 11.194 -2.754 1.00 0.00 C ATOM 785 C HIS A 54 8.469 12.471 -2.453 1.00 0.00 C ATOM 786 O HIS A 54 7.342 12.421 -1.964 1.00 0.00 O ATOM 787 CB HIS A 54 8.405 10.261 -3.624 1.00 0.00 C ATOM 788 CG HIS A 54 7.991 10.870 -4.929 1.00 0.00 C ATOM 789 ND1 HIS A 54 7.070 11.891 -5.024 1.00 0.00 N ATOM 790 CD2 HIS A 54 8.381 10.596 -6.196 1.00 0.00 C ATOM 791 CE1 HIS A 54 6.909 12.218 -6.294 1.00 0.00 C ATOM 792 NE2 HIS A 54 7.694 11.448 -7.026 1.00 0.00 N ATOM 0 H HIS A 54 8.858 10.241 -0.927 1.00 0.00 H new ATOM 0 HA HIS A 54 10.155 11.463 -3.295 1.00 0.00 H new ATOM 0 HB2 HIS A 54 8.971 9.351 -3.821 1.00 0.00 H new ATOM 0 HB3 HIS A 54 7.513 9.968 -3.070 1.00 0.00 H new ATOM 0 HD2 HIS A 54 9.098 9.847 -6.498 1.00 0.00 H new ATOM 0 HE1 HIS A 54 6.248 12.985 -6.670 1.00 0.00 H new ATOM 0 HE2 HIS A 54 7.777 11.481 -8.042 1.00 0.00 H new ATOM 801 N GLY A 55 9.080 13.614 -2.748 1.00 0.00 N ATOM 802 CA GLY A 55 8.429 14.888 -2.501 1.00 0.00 C ATOM 803 C GLY A 55 8.024 15.060 -1.051 1.00 0.00 C ATOM 804 O GLY A 55 8.730 14.618 -0.146 1.00 0.00 O ATOM 0 H GLY A 55 10.014 13.681 -3.153 1.00 0.00 H new ATOM 0 HA2 GLY A 55 9.101 15.697 -2.786 1.00 0.00 H new ATOM 0 HA3 GLY A 55 7.545 14.970 -3.134 1.00 0.00 H new ATOM 808 N ASN A 56 6.884 15.706 -0.829 1.00 0.00 N ATOM 809 CA ASN A 56 6.387 15.938 0.522 1.00 0.00 C ATOM 810 C ASN A 56 5.566 14.749 1.012 1.00 0.00 C ATOM 811 O ASN A 56 4.539 14.919 1.668 1.00 0.00 O ATOM 812 CB ASN A 56 5.538 17.210 0.564 1.00 0.00 C ATOM 813 CG ASN A 56 6.291 18.425 0.058 1.00 0.00 C ATOM 814 OD1 ASN A 56 6.763 18.448 -1.078 1.00 0.00 O ATOM 815 ND2 ASN A 56 6.407 19.444 0.903 1.00 0.00 N ATOM 0 H ASN A 56 6.287 16.078 -1.568 1.00 0.00 H new ATOM 0 HA ASN A 56 7.246 16.060 1.182 1.00 0.00 H new ATOM 0 HB2 ASN A 56 4.641 17.065 -0.038 1.00 0.00 H new ATOM 0 HB3 ASN A 56 5.209 17.390 1.587 1.00 0.00 H new ATOM 0 HD21 ASN A 56 6.903 20.288 0.619 1.00 0.00 H new ATOM 0 HD22 ASN A 56 6.000 19.382 1.836 1.00 0.00 H new ATOM 822 N TYR A 57 6.027 13.546 0.687 1.00 0.00 N ATOM 823 CA TYR A 57 5.335 12.328 1.092 1.00 0.00 C ATOM 824 C TYR A 57 6.318 11.174 1.264 1.00 0.00 C ATOM 825 O TYR A 57 7.375 11.144 0.632 1.00 0.00 O ATOM 826 CB TYR A 57 4.269 11.955 0.060 1.00 0.00 C ATOM 827 CG TYR A 57 2.996 12.762 0.186 1.00 0.00 C ATOM 828 CD1 TYR A 57 2.898 14.031 -0.372 1.00 0.00 C ATOM 829 CD2 TYR A 57 1.893 12.256 0.862 1.00 0.00 C ATOM 830 CE1 TYR A 57 1.738 14.773 -0.259 1.00 0.00 C ATOM 831 CE2 TYR A 57 0.728 12.990 0.978 1.00 0.00 C ATOM 832 CZ TYR A 57 0.656 14.248 0.416 1.00 0.00 C ATOM 833 OH TYR A 57 -0.502 14.982 0.531 1.00 0.00 O ATOM 0 H TYR A 57 6.876 13.388 0.145 1.00 0.00 H new ATOM 0 HA TYR A 57 4.853 12.516 2.051 1.00 0.00 H new ATOM 0 HB2 TYR A 57 4.679 12.093 -0.940 1.00 0.00 H new ATOM 0 HB3 TYR A 57 4.030 10.897 0.163 1.00 0.00 H new ATOM 0 HD1 TYR A 57 3.743 14.444 -0.903 1.00 0.00 H new ATOM 0 HD2 TYR A 57 1.947 11.272 1.304 1.00 0.00 H new ATOM 0 HE1 TYR A 57 1.679 15.759 -0.697 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -0.121 12.581 1.505 1.00 0.00 H new ATOM 0 HH TYR A 57 -1.167 14.467 1.034 1.00 0.00 H new ATOM 843 N LEU A 58 5.962 10.225 2.123 1.00 0.00 N ATOM 844 CA LEU A 58 6.812 9.067 2.379 1.00 0.00 C ATOM 845 C LEU A 58 6.309 7.845 1.618 1.00 0.00 C ATOM 846 O LEU A 58 5.106 7.593 1.550 1.00 0.00 O ATOM 847 CB LEU A 58 6.858 8.765 3.878 1.00 0.00 C ATOM 848 CG LEU A 58 7.371 9.893 4.774 1.00 0.00 C ATOM 849 CD1 LEU A 58 7.047 9.605 6.232 1.00 0.00 C ATOM 850 CD2 LEU A 58 8.869 10.084 4.586 1.00 0.00 C ATOM 0 H LEU A 58 5.091 10.234 2.654 1.00 0.00 H new ATOM 0 HA LEU A 58 7.818 9.301 2.031 1.00 0.00 H new ATOM 0 HB2 LEU A 58 5.854 8.496 4.205 1.00 0.00 H new ATOM 0 HB3 LEU A 58 7.489 7.890 4.033 1.00 0.00 H new ATOM 0 HG LEU A 58 6.869 10.817 4.487 1.00 0.00 H new ATOM 0 HD11 LEU A 58 7.419 10.418 6.855 1.00 0.00 H new ATOM 0 HD12 LEU A 58 5.967 9.519 6.355 1.00 0.00 H new ATOM 0 HD13 LEU A 58 7.522 8.671 6.533 1.00 0.00 H new ATOM 0 HD21 LEU A 58 9.217 10.891 5.231 1.00 0.00 H new ATOM 0 HD22 LEU A 58 9.389 9.162 4.846 1.00 0.00 H new ATOM 0 HD23 LEU A 58 9.076 10.337 3.546 1.00 0.00 H new ATOM 862 N PHE A 59 7.239 7.086 1.047 1.00 0.00 N ATOM 863 CA PHE A 59 6.891 5.889 0.291 1.00 0.00 C ATOM 864 C PHE A 59 7.489 4.643 0.940 1.00 0.00 C ATOM 865 O PHE A 59 8.658 4.319 0.727 1.00 0.00 O ATOM 866 CB PHE A 59 7.382 6.011 -1.153 1.00 0.00 C ATOM 867 CG PHE A 59 6.498 6.865 -2.016 1.00 0.00 C ATOM 868 CD1 PHE A 59 6.126 8.135 -1.606 1.00 0.00 C ATOM 869 CD2 PHE A 59 6.041 6.399 -3.238 1.00 0.00 C ATOM 870 CE1 PHE A 59 5.313 8.923 -2.397 1.00 0.00 C ATOM 871 CE2 PHE A 59 5.227 7.183 -4.034 1.00 0.00 C ATOM 872 CZ PHE A 59 4.863 8.447 -3.614 1.00 0.00 C ATOM 0 H PHE A 59 8.239 7.279 1.094 1.00 0.00 H new ATOM 0 HA PHE A 59 5.805 5.792 0.291 1.00 0.00 H new ATOM 0 HB2 PHE A 59 8.389 6.429 -1.152 1.00 0.00 H new ATOM 0 HB3 PHE A 59 7.451 5.015 -1.590 1.00 0.00 H new ATOM 0 HD1 PHE A 59 6.476 8.513 -0.657 1.00 0.00 H new ATOM 0 HD2 PHE A 59 6.324 5.412 -3.573 1.00 0.00 H new ATOM 0 HE1 PHE A 59 5.029 9.911 -2.065 1.00 0.00 H new ATOM 0 HE2 PHE A 59 4.876 6.807 -4.984 1.00 0.00 H new ATOM 0 HZ PHE A 59 4.228 9.062 -4.235 1.00 0.00 H new ATOM 882 N HIS A 60 6.679 3.950 1.733 1.00 0.00 N ATOM 883 CA HIS A 60 7.127 2.740 2.413 1.00 0.00 C ATOM 884 C HIS A 60 6.593 1.493 1.713 1.00 0.00 C ATOM 885 O HIS A 60 5.397 1.205 1.764 1.00 0.00 O ATOM 886 CB HIS A 60 6.673 2.752 3.873 1.00 0.00 C ATOM 887 CG HIS A 60 6.911 4.060 4.563 1.00 0.00 C ATOM 888 ND1 HIS A 60 8.133 4.421 5.090 1.00 0.00 N ATOM 889 CD2 HIS A 60 6.076 5.096 4.811 1.00 0.00 C ATOM 890 CE1 HIS A 60 8.039 5.622 5.632 1.00 0.00 C ATOM 891 NE2 HIS A 60 6.801 6.054 5.476 1.00 0.00 N ATOM 0 H HIS A 60 5.709 4.205 1.921 1.00 0.00 H new ATOM 0 HA HIS A 60 8.216 2.717 2.379 1.00 0.00 H new ATOM 0 HB2 HIS A 60 5.610 2.516 3.916 1.00 0.00 H new ATOM 0 HB3 HIS A 60 7.197 1.964 4.414 1.00 0.00 H new ATOM 0 HD1 HIS A 60 8.978 3.850 5.065 1.00 0.00 H new ATOM 0 HD2 HIS A 60 5.033 5.158 4.537 1.00 0.00 H new ATOM 0 HE1 HIS A 60 8.839 6.159 6.120 1.00 0.00 H new ATOM 900 N TYR A 61 7.487 0.760 1.060 1.00 0.00 N ATOM 901 CA TYR A 61 7.106 -0.454 0.347 1.00 0.00 C ATOM 902 C TYR A 61 7.705 -1.688 1.013 1.00 0.00 C ATOM 903 O TYR A 61 8.853 -1.672 1.457 1.00 0.00 O ATOM 904 CB TYR A 61 7.560 -0.377 -1.112 1.00 0.00 C ATOM 905 CG TYR A 61 8.948 -0.930 -1.344 1.00 0.00 C ATOM 906 CD1 TYR A 61 9.187 -2.298 -1.312 1.00 0.00 C ATOM 907 CD2 TYR A 61 10.020 -0.083 -1.597 1.00 0.00 C ATOM 908 CE1 TYR A 61 10.453 -2.807 -1.523 1.00 0.00 C ATOM 909 CE2 TYR A 61 11.290 -0.584 -1.810 1.00 0.00 C ATOM 910 CZ TYR A 61 11.502 -1.946 -1.772 1.00 0.00 C ATOM 911 OH TYR A 61 12.765 -2.449 -1.983 1.00 0.00 O ATOM 0 H TYR A 61 8.481 0.985 1.009 1.00 0.00 H new ATOM 0 HA TYR A 61 6.020 -0.538 0.379 1.00 0.00 H new ATOM 0 HB2 TYR A 61 6.851 -0.924 -1.734 1.00 0.00 H new ATOM 0 HB3 TYR A 61 7.533 0.663 -1.438 1.00 0.00 H new ATOM 0 HD1 TYR A 61 8.368 -2.975 -1.119 1.00 0.00 H new ATOM 0 HD2 TYR A 61 9.858 0.984 -1.628 1.00 0.00 H new ATOM 0 HE1 TYR A 61 10.621 -3.873 -1.493 1.00 0.00 H new ATOM 0 HE2 TYR A 61 12.113 0.088 -2.005 1.00 0.00 H new ATOM 0 HH TYR A 61 12.872 -3.285 -1.483 1.00 0.00 H new ATOM 921 N ILE A 62 6.919 -2.758 1.078 1.00 0.00 N ATOM 922 CA ILE A 62 7.371 -4.002 1.688 1.00 0.00 C ATOM 923 C ILE A 62 7.257 -5.166 0.711 1.00 0.00 C ATOM 924 O ILE A 62 6.291 -5.262 -0.047 1.00 0.00 O ATOM 925 CB ILE A 62 6.564 -4.332 2.958 1.00 0.00 C ATOM 926 CG1 ILE A 62 6.748 -3.232 4.006 1.00 0.00 C ATOM 927 CG2 ILE A 62 6.988 -5.681 3.519 1.00 0.00 C ATOM 928 CD1 ILE A 62 5.777 -3.329 5.161 1.00 0.00 C ATOM 0 H ILE A 62 5.966 -2.788 0.716 1.00 0.00 H new ATOM 0 HA ILE A 62 8.417 -3.859 1.959 1.00 0.00 H new ATOM 0 HB ILE A 62 5.507 -4.385 2.696 1.00 0.00 H new ATOM 0 HG12 ILE A 62 7.766 -3.277 4.393 1.00 0.00 H new ATOM 0 HG13 ILE A 62 6.632 -2.261 3.525 1.00 0.00 H new ATOM 0 HG21 ILE A 62 6.409 -5.900 4.416 1.00 0.00 H new ATOM 0 HG22 ILE A 62 6.811 -6.457 2.774 1.00 0.00 H new ATOM 0 HG23 ILE A 62 8.049 -5.654 3.769 1.00 0.00 H new ATOM 0 HD11 ILE A 62 5.966 -2.518 5.864 1.00 0.00 H new ATOM 0 HD12 ILE A 62 4.756 -3.254 4.786 1.00 0.00 H new ATOM 0 HD13 ILE A 62 5.908 -4.286 5.667 1.00 0.00 H new ATOM 940 N CYS A 63 8.249 -6.050 0.734 1.00 0.00 N ATOM 941 CA CYS A 63 8.260 -7.210 -0.150 1.00 0.00 C ATOM 942 C CYS A 63 7.937 -8.485 0.622 1.00 0.00 C ATOM 943 O CYS A 63 8.437 -8.696 1.727 1.00 0.00 O ATOM 944 CB CYS A 63 9.622 -7.344 -0.832 1.00 0.00 C ATOM 945 SG CYS A 63 9.602 -8.361 -2.327 1.00 0.00 S ATOM 0 H CYS A 63 9.056 -5.985 1.355 1.00 0.00 H new ATOM 0 HA CYS A 63 7.493 -7.063 -0.911 1.00 0.00 H new ATOM 0 HB2 CYS A 63 9.988 -6.349 -1.087 1.00 0.00 H new ATOM 0 HB3 CYS A 63 10.331 -7.773 -0.123 1.00 0.00 H new ATOM 0 HG CYS A 63 10.787 -8.370 -2.861 1.00 0.00 H new ATOM 951 N GLN A 64 7.097 -9.330 0.033 1.00 0.00 N ATOM 952 CA GLN A 64 6.706 -10.584 0.668 1.00 0.00 C ATOM 953 C GLN A 64 5.891 -11.447 -0.290 1.00 0.00 C ATOM 954 O GLN A 64 4.909 -10.987 -0.873 1.00 0.00 O ATOM 955 CB GLN A 64 5.898 -10.307 1.937 1.00 0.00 C ATOM 956 CG GLN A 64 6.043 -11.385 2.998 1.00 0.00 C ATOM 957 CD GLN A 64 7.323 -11.248 3.799 1.00 0.00 C ATOM 958 OE1 GLN A 64 7.509 -10.275 4.531 1.00 0.00 O ATOM 959 NE2 GLN A 64 8.214 -12.223 3.663 1.00 0.00 N ATOM 0 H GLN A 64 6.674 -9.170 -0.881 1.00 0.00 H new ATOM 0 HA GLN A 64 7.613 -11.126 0.935 1.00 0.00 H new ATOM 0 HB2 GLN A 64 6.213 -9.351 2.357 1.00 0.00 H new ATOM 0 HB3 GLN A 64 4.845 -10.208 1.673 1.00 0.00 H new ATOM 0 HG2 GLN A 64 5.189 -11.341 3.674 1.00 0.00 H new ATOM 0 HG3 GLN A 64 6.021 -12.365 2.520 1.00 0.00 H new ATOM 0 HE21 GLN A 64 8.018 -13.011 3.045 1.00 0.00 H new ATOM 0 HE22 GLN A 64 9.095 -12.184 4.176 1.00 0.00 H new ATOM 968 N ASP A 65 6.305 -12.699 -0.447 1.00 0.00 N ATOM 969 CA ASP A 65 5.613 -13.628 -1.334 1.00 0.00 C ATOM 970 C ASP A 65 5.468 -13.037 -2.733 1.00 0.00 C ATOM 971 O ASP A 65 4.457 -13.246 -3.403 1.00 0.00 O ATOM 972 CB ASP A 65 4.235 -13.975 -0.768 1.00 0.00 C ATOM 973 CG ASP A 65 3.777 -15.364 -1.170 1.00 0.00 C ATOM 974 OD1 ASP A 65 4.613 -16.291 -1.152 1.00 0.00 O ATOM 975 OD2 ASP A 65 2.584 -15.523 -1.502 1.00 0.00 O ATOM 0 H ASP A 65 7.116 -13.095 0.028 1.00 0.00 H new ATOM 0 HA ASP A 65 6.209 -14.538 -1.404 1.00 0.00 H new ATOM 0 HB2 ASP A 65 4.264 -13.906 0.319 1.00 0.00 H new ATOM 0 HB3 ASP A 65 3.508 -13.241 -1.115 1.00 0.00 H new ATOM 980 N ARG A 66 6.485 -12.299 -3.166 1.00 0.00 N ATOM 981 CA ARG A 66 6.469 -11.677 -4.484 1.00 0.00 C ATOM 982 C ARG A 66 5.371 -10.622 -4.575 1.00 0.00 C ATOM 983 O ARG A 66 4.838 -10.357 -5.653 1.00 0.00 O ATOM 984 CB ARG A 66 6.265 -12.736 -5.569 1.00 0.00 C ATOM 985 CG ARG A 66 7.364 -13.785 -5.611 1.00 0.00 C ATOM 986 CD ARG A 66 8.622 -13.247 -6.274 1.00 0.00 C ATOM 987 NE ARG A 66 9.420 -14.311 -6.878 1.00 0.00 N ATOM 988 CZ ARG A 66 9.039 -14.996 -7.951 1.00 0.00 C ATOM 989 NH1 ARG A 66 7.879 -14.730 -8.534 1.00 0.00 N ATOM 990 NH2 ARG A 66 9.820 -15.950 -8.442 1.00 0.00 N ATOM 0 H ARG A 66 7.330 -12.117 -2.624 1.00 0.00 H new ATOM 0 HA ARG A 66 7.431 -11.189 -4.639 1.00 0.00 H new ATOM 0 HB2 ARG A 66 5.308 -13.231 -5.406 1.00 0.00 H new ATOM 0 HB3 ARG A 66 6.208 -12.243 -6.540 1.00 0.00 H new ATOM 0 HG2 ARG A 66 7.597 -14.111 -4.597 1.00 0.00 H new ATOM 0 HG3 ARG A 66 7.011 -14.662 -6.154 1.00 0.00 H new ATOM 0 HD2 ARG A 66 8.346 -12.521 -7.039 1.00 0.00 H new ATOM 0 HD3 ARG A 66 9.223 -12.718 -5.535 1.00 0.00 H new ATOM 0 HE ARG A 66 10.318 -14.541 -6.453 1.00 0.00 H new ATOM 0 HH11 ARG A 66 7.276 -13.998 -8.159 1.00 0.00 H new ATOM 0 HH12 ARG A 66 7.589 -15.258 -9.358 1.00 0.00 H new ATOM 0 HH21 ARG A 66 10.713 -16.158 -7.996 1.00 0.00 H new ATOM 0 HH22 ARG A 66 9.527 -16.475 -9.266 1.00 0.00 H new ATOM 1004 N ILE A 67 5.036 -10.024 -3.436 1.00 0.00 N ATOM 1005 CA ILE A 67 4.002 -8.998 -3.387 1.00 0.00 C ATOM 1006 C ILE A 67 4.538 -7.705 -2.783 1.00 0.00 C ATOM 1007 O ILE A 67 5.117 -7.708 -1.696 1.00 0.00 O ATOM 1008 CB ILE A 67 2.783 -9.467 -2.571 1.00 0.00 C ATOM 1009 CG1 ILE A 67 2.355 -10.868 -3.010 1.00 0.00 C ATOM 1010 CG2 ILE A 67 1.632 -8.483 -2.725 1.00 0.00 C ATOM 1011 CD1 ILE A 67 1.904 -10.938 -4.452 1.00 0.00 C ATOM 0 H ILE A 67 5.466 -10.233 -2.535 1.00 0.00 H new ATOM 0 HA ILE A 67 3.691 -8.813 -4.415 1.00 0.00 H new ATOM 0 HB ILE A 67 3.063 -9.507 -1.518 1.00 0.00 H new ATOM 0 HG12 ILE A 67 3.188 -11.556 -2.865 1.00 0.00 H new ATOM 0 HG13 ILE A 67 1.544 -11.209 -2.367 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.778 -8.828 -2.143 1.00 0.00 H new ATOM 0 HG22 ILE A 67 1.942 -7.501 -2.367 1.00 0.00 H new ATOM 0 HG23 ILE A 67 1.351 -8.414 -3.776 1.00 0.00 H new ATOM 0 HD11 ILE A 67 1.615 -11.961 -4.694 1.00 0.00 H new ATOM 0 HD12 ILE A 67 1.051 -10.276 -4.599 1.00 0.00 H new ATOM 0 HD13 ILE A 67 2.720 -10.628 -5.104 1.00 0.00 H new ATOM 1023 N VAL A 68 4.340 -6.599 -3.494 1.00 0.00 N ATOM 1024 CA VAL A 68 4.801 -5.297 -3.027 1.00 0.00 C ATOM 1025 C VAL A 68 3.642 -4.463 -2.495 1.00 0.00 C ATOM 1026 O VAL A 68 2.616 -4.310 -3.159 1.00 0.00 O ATOM 1027 CB VAL A 68 5.509 -4.516 -4.150 1.00 0.00 C ATOM 1028 CG1 VAL A 68 5.968 -3.156 -3.647 1.00 0.00 C ATOM 1029 CG2 VAL A 68 6.682 -5.316 -4.696 1.00 0.00 C ATOM 0 H VAL A 68 3.863 -6.579 -4.396 1.00 0.00 H new ATOM 0 HA VAL A 68 5.511 -5.483 -2.221 1.00 0.00 H new ATOM 0 HB VAL A 68 4.799 -4.355 -4.961 1.00 0.00 H new ATOM 0 HG11 VAL A 68 6.466 -2.619 -4.454 1.00 0.00 H new ATOM 0 HG12 VAL A 68 5.105 -2.583 -3.308 1.00 0.00 H new ATOM 0 HG13 VAL A 68 6.663 -3.290 -2.818 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.171 -4.750 -5.489 1.00 0.00 H new ATOM 0 HG22 VAL A 68 7.395 -5.509 -3.895 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.321 -6.263 -5.097 1.00 0.00 H new ATOM 1039 N TYR A 69 3.811 -3.923 -1.293 1.00 0.00 N ATOM 1040 CA TYR A 69 2.778 -3.104 -0.670 1.00 0.00 C ATOM 1041 C TYR A 69 3.275 -1.680 -0.442 1.00 0.00 C ATOM 1042 O TYR A 69 3.948 -1.396 0.550 1.00 0.00 O ATOM 1043 CB TYR A 69 2.340 -3.722 0.659 1.00 0.00 C ATOM 1044 CG TYR A 69 2.106 -5.214 0.585 1.00 0.00 C ATOM 1045 CD1 TYR A 69 3.150 -6.088 0.305 1.00 0.00 C ATOM 1046 CD2 TYR A 69 0.842 -5.750 0.794 1.00 0.00 C ATOM 1047 CE1 TYR A 69 2.941 -7.452 0.235 1.00 0.00 C ATOM 1048 CE2 TYR A 69 0.624 -7.113 0.728 1.00 0.00 C ATOM 1049 CZ TYR A 69 1.676 -7.959 0.448 1.00 0.00 C ATOM 1050 OH TYR A 69 1.463 -9.317 0.380 1.00 0.00 O ATOM 0 H TYR A 69 4.654 -4.038 -0.730 1.00 0.00 H new ATOM 0 HA TYR A 69 1.923 -3.067 -1.345 1.00 0.00 H new ATOM 0 HB2 TYR A 69 3.101 -3.519 1.413 1.00 0.00 H new ATOM 0 HB3 TYR A 69 1.423 -3.235 0.992 1.00 0.00 H new ATOM 0 HD1 TYR A 69 4.142 -5.694 0.139 1.00 0.00 H new ATOM 0 HD2 TYR A 69 0.015 -5.090 1.012 1.00 0.00 H new ATOM 0 HE1 TYR A 69 3.763 -8.117 0.015 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -0.365 -7.513 0.895 1.00 0.00 H new ATOM 0 HH TYR A 69 0.518 -9.509 0.555 1.00 0.00 H new ATOM 1060 N LEU A 70 2.938 -0.788 -1.367 1.00 0.00 N ATOM 1061 CA LEU A 70 3.349 0.608 -1.268 1.00 0.00 C ATOM 1062 C LEU A 70 2.262 1.450 -0.609 1.00 0.00 C ATOM 1063 O LEU A 70 1.077 1.124 -0.687 1.00 0.00 O ATOM 1064 CB LEU A 70 3.669 1.165 -2.656 1.00 0.00 C ATOM 1065 CG LEU A 70 4.263 2.574 -2.694 1.00 0.00 C ATOM 1066 CD1 LEU A 70 5.180 2.735 -3.896 1.00 0.00 C ATOM 1067 CD2 LEU A 70 3.156 3.618 -2.721 1.00 0.00 C ATOM 0 H LEU A 70 2.382 -1.006 -2.194 1.00 0.00 H new ATOM 0 HA LEU A 70 4.245 0.654 -0.649 1.00 0.00 H new ATOM 0 HB2 LEU A 70 4.366 0.485 -3.146 1.00 0.00 H new ATOM 0 HB3 LEU A 70 2.753 1.163 -3.246 1.00 0.00 H new ATOM 0 HG LEU A 70 4.854 2.723 -1.790 1.00 0.00 H new ATOM 0 HD11 LEU A 70 5.593 3.744 -3.906 1.00 0.00 H new ATOM 0 HD12 LEU A 70 5.992 2.011 -3.834 1.00 0.00 H new ATOM 0 HD13 LEU A 70 4.613 2.566 -4.811 1.00 0.00 H new ATOM 0 HD21 LEU A 70 3.596 4.615 -2.748 1.00 0.00 H new ATOM 0 HD22 LEU A 70 2.538 3.470 -3.607 1.00 0.00 H new ATOM 0 HD23 LEU A 70 2.539 3.518 -1.828 1.00 0.00 H new ATOM 1079 N CYS A 71 2.672 2.535 0.039 1.00 0.00 N ATOM 1080 CA CYS A 71 1.732 3.426 0.711 1.00 0.00 C ATOM 1081 C CYS A 71 2.272 4.852 0.757 1.00 0.00 C ATOM 1082 O CYS A 71 3.467 5.067 0.962 1.00 0.00 O ATOM 1083 CB CYS A 71 1.451 2.928 2.129 1.00 0.00 C ATOM 1084 SG CYS A 71 2.812 3.199 3.290 1.00 0.00 S ATOM 0 H CYS A 71 3.649 2.819 0.113 1.00 0.00 H new ATOM 0 HA CYS A 71 0.802 3.428 0.143 1.00 0.00 H new ATOM 0 HB2 CYS A 71 0.559 3.427 2.508 1.00 0.00 H new ATOM 0 HB3 CYS A 71 1.227 1.862 2.091 1.00 0.00 H new ATOM 0 HG CYS A 71 3.645 4.062 2.789 1.00 0.00 H new ATOM 1090 N ILE A 72 1.385 5.821 0.563 1.00 0.00 N ATOM 1091 CA ILE A 72 1.773 7.226 0.582 1.00 0.00 C ATOM 1092 C ILE A 72 1.215 7.934 1.811 1.00 0.00 C ATOM 1093 O ILE A 72 0.011 7.897 2.071 1.00 0.00 O ATOM 1094 CB ILE A 72 1.290 7.961 -0.683 1.00 0.00 C ATOM 1095 CG1 ILE A 72 2.006 7.415 -1.921 1.00 0.00 C ATOM 1096 CG2 ILE A 72 1.523 9.458 -0.547 1.00 0.00 C ATOM 1097 CD1 ILE A 72 1.177 7.497 -3.183 1.00 0.00 C ATOM 0 H ILE A 72 0.393 5.659 0.391 1.00 0.00 H new ATOM 0 HA ILE A 72 2.862 7.252 0.614 1.00 0.00 H new ATOM 0 HB ILE A 72 0.220 7.789 -0.800 1.00 0.00 H new ATOM 0 HG12 ILE A 72 2.933 7.969 -2.068 1.00 0.00 H new ATOM 0 HG13 ILE A 72 2.281 6.375 -1.743 1.00 0.00 H new ATOM 0 HG21 ILE A 72 1.177 9.963 -1.448 1.00 0.00 H new ATOM 0 HG22 ILE A 72 0.972 9.835 0.315 1.00 0.00 H new ATOM 0 HG23 ILE A 72 2.587 9.650 -0.410 1.00 0.00 H new ATOM 0 HD11 ILE A 72 1.747 7.093 -4.020 1.00 0.00 H new ATOM 0 HD12 ILE A 72 0.261 6.920 -3.055 1.00 0.00 H new ATOM 0 HD13 ILE A 72 0.924 8.538 -3.385 1.00 0.00 H new ATOM 1109 N THR A 73 2.097 8.582 2.566 1.00 0.00 N ATOM 1110 CA THR A 73 1.693 9.300 3.768 1.00 0.00 C ATOM 1111 C THR A 73 2.455 10.613 3.907 1.00 0.00 C ATOM 1112 O THR A 73 3.445 10.843 3.212 1.00 0.00 O ATOM 1113 CB THR A 73 1.921 8.451 5.033 1.00 0.00 C ATOM 1114 OG1 THR A 73 3.323 8.241 5.236 1.00 0.00 O ATOM 1115 CG2 THR A 73 1.214 7.109 4.919 1.00 0.00 C ATOM 0 H THR A 73 3.096 8.624 2.366 1.00 0.00 H new ATOM 0 HA THR A 73 0.628 9.510 3.667 1.00 0.00 H new ATOM 0 HB THR A 73 1.507 8.991 5.885 1.00 0.00 H new ATOM 0 HG1 THR A 73 3.460 7.702 6.043 1.00 0.00 H new ATOM 0 HG21 THR A 73 1.390 6.527 5.824 1.00 0.00 H new ATOM 0 HG22 THR A 73 0.143 7.271 4.794 1.00 0.00 H new ATOM 0 HG23 THR A 73 1.602 6.566 4.057 1.00 0.00 H new ATOM 1123 N ASP A 74 1.988 11.470 4.808 1.00 0.00 N ATOM 1124 CA ASP A 74 2.627 12.760 5.039 1.00 0.00 C ATOM 1125 C ASP A 74 3.875 12.601 5.902 1.00 0.00 C ATOM 1126 O ASP A 74 3.905 11.787 6.825 1.00 0.00 O ATOM 1127 CB ASP A 74 1.648 13.726 5.709 1.00 0.00 C ATOM 1128 CG ASP A 74 1.246 13.270 7.099 1.00 0.00 C ATOM 1129 OD1 ASP A 74 1.205 12.045 7.332 1.00 0.00 O ATOM 1130 OD2 ASP A 74 0.972 14.140 7.952 1.00 0.00 O ATOM 0 H ASP A 74 1.169 11.295 5.390 1.00 0.00 H new ATOM 0 HA ASP A 74 2.924 13.169 4.073 1.00 0.00 H new ATOM 0 HB2 ASP A 74 2.103 14.715 5.771 1.00 0.00 H new ATOM 0 HB3 ASP A 74 0.756 13.823 5.089 1.00 0.00 H new ATOM 1135 N ASP A 75 4.904 13.383 5.594 1.00 0.00 N ATOM 1136 CA ASP A 75 6.156 13.330 6.340 1.00 0.00 C ATOM 1137 C ASP A 75 5.890 13.235 7.840 1.00 0.00 C ATOM 1138 O ASP A 75 6.377 12.324 8.510 1.00 0.00 O ATOM 1139 CB ASP A 75 7.008 14.564 6.038 1.00 0.00 C ATOM 1140 CG ASP A 75 7.857 14.390 4.795 1.00 0.00 C ATOM 1141 OD1 ASP A 75 8.341 13.263 4.560 1.00 0.00 O ATOM 1142 OD2 ASP A 75 8.039 15.381 4.057 1.00 0.00 O ATOM 0 H ASP A 75 4.896 14.061 4.832 1.00 0.00 H new ATOM 0 HA ASP A 75 6.699 12.438 6.027 1.00 0.00 H new ATOM 0 HB2 ASP A 75 6.357 15.429 5.912 1.00 0.00 H new ATOM 0 HB3 ASP A 75 7.655 14.773 6.890 1.00 0.00 H new ATOM 1147 N ASP A 76 5.116 14.181 8.359 1.00 0.00 N ATOM 1148 CA ASP A 76 4.786 14.204 9.780 1.00 0.00 C ATOM 1149 C ASP A 76 4.621 12.788 10.323 1.00 0.00 C ATOM 1150 O ASP A 76 5.108 12.467 11.407 1.00 0.00 O ATOM 1151 CB ASP A 76 3.504 15.005 10.014 1.00 0.00 C ATOM 1152 CG ASP A 76 3.245 15.265 11.485 1.00 0.00 C ATOM 1153 OD1 ASP A 76 4.086 15.927 12.128 1.00 0.00 O ATOM 1154 OD2 ASP A 76 2.200 14.808 11.993 1.00 0.00 O ATOM 0 H ASP A 76 4.705 14.942 7.818 1.00 0.00 H new ATOM 0 HA ASP A 76 5.608 14.684 10.311 1.00 0.00 H new ATOM 0 HB2 ASP A 76 3.572 15.956 9.486 1.00 0.00 H new ATOM 0 HB3 ASP A 76 2.658 14.464 9.589 1.00 0.00 H new ATOM 1159 N PHE A 77 3.932 11.944 9.561 1.00 0.00 N ATOM 1160 CA PHE A 77 3.702 10.562 9.967 1.00 0.00 C ATOM 1161 C PHE A 77 4.999 9.910 10.437 1.00 0.00 C ATOM 1162 O PHE A 77 6.089 10.427 10.195 1.00 0.00 O ATOM 1163 CB PHE A 77 3.107 9.761 8.808 1.00 0.00 C ATOM 1164 CG PHE A 77 2.210 8.640 9.252 1.00 0.00 C ATOM 1165 CD1 PHE A 77 1.045 8.904 9.953 1.00 0.00 C ATOM 1166 CD2 PHE A 77 2.533 7.323 8.968 1.00 0.00 C ATOM 1167 CE1 PHE A 77 0.218 7.876 10.363 1.00 0.00 C ATOM 1168 CE2 PHE A 77 1.709 6.291 9.375 1.00 0.00 C ATOM 1169 CZ PHE A 77 0.551 6.567 10.074 1.00 0.00 C ATOM 0 H PHE A 77 3.524 12.193 8.660 1.00 0.00 H new ATOM 0 HA PHE A 77 2.996 10.566 10.798 1.00 0.00 H new ATOM 0 HB2 PHE A 77 2.542 10.434 8.164 1.00 0.00 H new ATOM 0 HB3 PHE A 77 3.918 9.350 8.207 1.00 0.00 H new ATOM 0 HD1 PHE A 77 0.780 9.926 10.182 1.00 0.00 H new ATOM 0 HD2 PHE A 77 3.438 7.101 8.423 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -0.688 8.096 10.909 1.00 0.00 H new ATOM 0 HE2 PHE A 77 1.971 5.269 9.146 1.00 0.00 H new ATOM 0 HZ PHE A 77 -0.093 5.761 10.394 1.00 0.00 H new ATOM 1179 N GLU A 78 4.871 8.772 11.112 1.00 0.00 N ATOM 1180 CA GLU A 78 6.033 8.050 11.617 1.00 0.00 C ATOM 1181 C GLU A 78 6.227 6.736 10.865 1.00 0.00 C ATOM 1182 O GLU A 78 5.265 6.019 10.588 1.00 0.00 O ATOM 1183 CB GLU A 78 5.878 7.775 13.115 1.00 0.00 C ATOM 1184 CG GLU A 78 7.176 7.376 13.797 1.00 0.00 C ATOM 1185 CD GLU A 78 6.958 6.853 15.204 1.00 0.00 C ATOM 1186 OE1 GLU A 78 5.827 6.418 15.506 1.00 0.00 O ATOM 1187 OE2 GLU A 78 7.918 6.878 16.002 1.00 0.00 O ATOM 0 H GLU A 78 3.976 8.331 11.322 1.00 0.00 H new ATOM 0 HA GLU A 78 6.913 8.673 11.458 1.00 0.00 H new ATOM 0 HB2 GLU A 78 5.481 8.667 13.601 1.00 0.00 H new ATOM 0 HB3 GLU A 78 5.144 6.982 13.256 1.00 0.00 H new ATOM 0 HG2 GLU A 78 7.675 6.611 13.202 1.00 0.00 H new ATOM 0 HG3 GLU A 78 7.843 8.237 13.833 1.00 0.00 H new ATOM 1194 N ARG A 79 7.478 6.428 10.538 1.00 0.00 N ATOM 1195 CA ARG A 79 7.799 5.202 9.816 1.00 0.00 C ATOM 1196 C ARG A 79 7.109 3.999 10.455 1.00 0.00 C ATOM 1197 O ARG A 79 6.254 3.363 9.839 1.00 0.00 O ATOM 1198 CB ARG A 79 9.312 4.982 9.791 1.00 0.00 C ATOM 1199 CG ARG A 79 10.034 5.832 8.758 1.00 0.00 C ATOM 1200 CD ARG A 79 11.544 5.729 8.908 1.00 0.00 C ATOM 1201 NE ARG A 79 12.033 4.386 8.606 1.00 0.00 N ATOM 1202 CZ ARG A 79 13.316 4.044 8.654 1.00 0.00 C ATOM 1203 NH1 ARG A 79 14.233 4.941 8.991 1.00 0.00 N ATOM 1204 NH2 ARG A 79 13.684 2.802 8.366 1.00 0.00 N ATOM 0 H ARG A 79 8.285 7.010 10.761 1.00 0.00 H new ATOM 0 HA ARG A 79 7.437 5.306 8.793 1.00 0.00 H new ATOM 0 HB2 ARG A 79 9.719 5.201 10.778 1.00 0.00 H new ATOM 0 HB3 ARG A 79 9.514 3.930 9.589 1.00 0.00 H new ATOM 0 HG2 ARG A 79 9.744 5.514 7.757 1.00 0.00 H new ATOM 0 HG3 ARG A 79 9.727 6.873 8.863 1.00 0.00 H new ATOM 0 HD2 ARG A 79 12.024 6.448 8.244 1.00 0.00 H new ATOM 0 HD3 ARG A 79 11.826 5.997 9.926 1.00 0.00 H new ATOM 0 HE ARG A 79 11.353 3.672 8.344 1.00 0.00 H new ATOM 0 HH11 ARG A 79 13.954 5.896 9.214 1.00 0.00 H new ATOM 0 HH12 ARG A 79 15.217 4.675 9.027 1.00 0.00 H new ATOM 0 HH21 ARG A 79 12.982 2.109 8.107 1.00 0.00 H new ATOM 0 HH22 ARG A 79 14.669 2.540 8.403 1.00 0.00 H new ATOM 1218 N SER A 80 7.489 3.694 11.691 1.00 0.00 N ATOM 1219 CA SER A 80 6.911 2.565 12.411 1.00 0.00 C ATOM 1220 C SER A 80 5.419 2.439 12.116 1.00 0.00 C ATOM 1221 O SER A 80 4.958 1.411 11.621 1.00 0.00 O ATOM 1222 CB SER A 80 7.133 2.726 13.917 1.00 0.00 C ATOM 1223 OG SER A 80 6.560 1.647 14.634 1.00 0.00 O ATOM 0 H SER A 80 8.194 4.212 12.215 1.00 0.00 H new ATOM 0 HA SER A 80 7.409 1.656 12.072 1.00 0.00 H new ATOM 0 HB2 SER A 80 8.201 2.780 14.127 1.00 0.00 H new ATOM 0 HB3 SER A 80 6.694 3.665 14.254 1.00 0.00 H new ATOM 0 HG SER A 80 6.717 1.772 15.593 1.00 0.00 H new ATOM 1229 N ARG A 81 4.670 3.493 12.425 1.00 0.00 N ATOM 1230 CA ARG A 81 3.231 3.501 12.195 1.00 0.00 C ATOM 1231 C ARG A 81 2.902 3.011 10.788 1.00 0.00 C ATOM 1232 O ARG A 81 2.123 2.075 10.612 1.00 0.00 O ATOM 1233 CB ARG A 81 2.667 4.908 12.401 1.00 0.00 C ATOM 1234 CG ARG A 81 2.828 5.427 13.821 1.00 0.00 C ATOM 1235 CD ARG A 81 2.048 6.715 14.035 1.00 0.00 C ATOM 1236 NE ARG A 81 2.140 7.187 15.414 1.00 0.00 N ATOM 1237 CZ ARG A 81 1.321 8.093 15.936 1.00 0.00 C ATOM 1238 NH1 ARG A 81 0.355 8.622 15.197 1.00 0.00 N ATOM 1239 NH2 ARG A 81 1.467 8.472 17.199 1.00 0.00 N ATOM 0 H ARG A 81 5.036 4.352 12.835 1.00 0.00 H new ATOM 0 HA ARG A 81 2.771 2.824 12.914 1.00 0.00 H new ATOM 0 HB2 ARG A 81 3.164 5.593 11.714 1.00 0.00 H new ATOM 0 HB3 ARG A 81 1.608 4.908 12.141 1.00 0.00 H new ATOM 0 HG2 ARG A 81 2.485 4.671 14.527 1.00 0.00 H new ATOM 0 HG3 ARG A 81 3.884 5.601 14.029 1.00 0.00 H new ATOM 0 HD2 ARG A 81 2.427 7.484 13.362 1.00 0.00 H new ATOM 0 HD3 ARG A 81 1.002 6.553 13.776 1.00 0.00 H new ATOM 0 HE ARG A 81 2.873 6.800 16.008 1.00 0.00 H new ATOM 0 HH11 ARG A 81 0.240 8.333 14.226 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -0.273 9.318 15.600 1.00 0.00 H new ATOM 0 HH21 ARG A 81 2.209 8.068 17.770 1.00 0.00 H new ATOM 0 HH22 ARG A 81 0.837 9.168 17.599 1.00 0.00 H new ATOM 1253 N ALA A 82 3.502 3.651 9.789 1.00 0.00 N ATOM 1254 CA ALA A 82 3.274 3.279 8.398 1.00 0.00 C ATOM 1255 C ALA A 82 3.472 1.782 8.191 1.00 0.00 C ATOM 1256 O ALA A 82 2.566 1.084 7.733 1.00 0.00 O ATOM 1257 CB ALA A 82 4.200 4.067 7.483 1.00 0.00 C ATOM 0 H ALA A 82 4.149 4.429 9.917 1.00 0.00 H new ATOM 0 HA ALA A 82 2.241 3.520 8.147 1.00 0.00 H new ATOM 0 HB1 ALA A 82 4.019 3.779 6.447 1.00 0.00 H new ATOM 0 HB2 ALA A 82 4.008 5.133 7.602 1.00 0.00 H new ATOM 0 HB3 ALA A 82 5.237 3.853 7.743 1.00 0.00 H new ATOM 1263 N PHE A 83 4.660 1.293 8.529 1.00 0.00 N ATOM 1264 CA PHE A 83 4.977 -0.122 8.378 1.00 0.00 C ATOM 1265 C PHE A 83 3.958 -0.988 9.113 1.00 0.00 C ATOM 1266 O PHE A 83 3.586 -2.062 8.643 1.00 0.00 O ATOM 1267 CB PHE A 83 6.384 -0.411 8.905 1.00 0.00 C ATOM 1268 CG PHE A 83 7.474 -0.003 7.956 1.00 0.00 C ATOM 1269 CD1 PHE A 83 7.519 -0.514 6.669 1.00 0.00 C ATOM 1270 CD2 PHE A 83 8.455 0.892 8.351 1.00 0.00 C ATOM 1271 CE1 PHE A 83 8.522 -0.141 5.795 1.00 0.00 C ATOM 1272 CE2 PHE A 83 9.461 1.270 7.481 1.00 0.00 C ATOM 1273 CZ PHE A 83 9.493 0.753 6.201 1.00 0.00 C ATOM 0 H PHE A 83 5.420 1.857 8.910 1.00 0.00 H new ATOM 0 HA PHE A 83 4.938 -0.367 7.317 1.00 0.00 H new ATOM 0 HB2 PHE A 83 6.523 0.111 9.852 1.00 0.00 H new ATOM 0 HB3 PHE A 83 6.474 -1.477 9.112 1.00 0.00 H new ATOM 0 HD1 PHE A 83 6.761 -1.212 6.345 1.00 0.00 H new ATOM 0 HD2 PHE A 83 8.434 1.300 9.351 1.00 0.00 H new ATOM 0 HE1 PHE A 83 8.547 -0.548 4.795 1.00 0.00 H new ATOM 0 HE2 PHE A 83 10.220 1.968 7.802 1.00 0.00 H new ATOM 0 HZ PHE A 83 10.276 1.047 5.518 1.00 0.00 H new ATOM 1283 N ASN A 84 3.512 -0.513 10.272 1.00 0.00 N ATOM 1284 CA ASN A 84 2.538 -1.244 11.074 1.00 0.00 C ATOM 1285 C ASN A 84 1.290 -1.562 10.256 1.00 0.00 C ATOM 1286 O ASN A 84 0.900 -2.722 10.125 1.00 0.00 O ATOM 1287 CB ASN A 84 2.156 -0.433 12.314 1.00 0.00 C ATOM 1288 CG ASN A 84 1.396 -1.260 13.334 1.00 0.00 C ATOM 1289 OD1 ASN A 84 1.963 -1.713 14.328 1.00 0.00 O ATOM 1290 ND2 ASN A 84 0.106 -1.459 13.090 1.00 0.00 N ATOM 0 H ASN A 84 3.810 0.375 10.676 1.00 0.00 H new ATOM 0 HA ASN A 84 2.994 -2.183 11.389 1.00 0.00 H new ATOM 0 HB2 ASN A 84 3.059 -0.032 12.775 1.00 0.00 H new ATOM 0 HB3 ASN A 84 1.546 0.419 12.014 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -0.457 -2.007 13.740 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -0.322 -1.064 12.252 1.00 0.00 H new ATOM 1297 N PHE A 85 0.668 -0.524 9.708 1.00 0.00 N ATOM 1298 CA PHE A 85 -0.537 -0.692 8.903 1.00 0.00 C ATOM 1299 C PHE A 85 -0.274 -1.617 7.718 1.00 0.00 C ATOM 1300 O PHE A 85 -1.041 -2.546 7.459 1.00 0.00 O ATOM 1301 CB PHE A 85 -1.036 0.666 8.405 1.00 0.00 C ATOM 1302 CG PHE A 85 -2.004 0.565 7.260 1.00 0.00 C ATOM 1303 CD1 PHE A 85 -1.551 0.563 5.951 1.00 0.00 C ATOM 1304 CD2 PHE A 85 -3.367 0.473 7.494 1.00 0.00 C ATOM 1305 CE1 PHE A 85 -2.439 0.470 4.895 1.00 0.00 C ATOM 1306 CE2 PHE A 85 -4.259 0.380 6.443 1.00 0.00 C ATOM 1307 CZ PHE A 85 -3.794 0.379 5.142 1.00 0.00 C ATOM 0 H PHE A 85 0.978 0.443 9.806 1.00 0.00 H new ATOM 0 HA PHE A 85 -1.304 -1.145 9.531 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -1.515 1.193 9.230 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -0.181 1.267 8.096 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -0.492 0.635 5.753 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -3.736 0.474 8.509 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -2.073 0.469 3.879 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -5.319 0.308 6.638 1.00 0.00 H new ATOM 0 HZ PHE A 85 -4.490 0.307 4.319 1.00 0.00 H new ATOM 1317 N LEU A 86 0.813 -1.355 7.001 1.00 0.00 N ATOM 1318 CA LEU A 86 1.178 -2.163 5.842 1.00 0.00 C ATOM 1319 C LEU A 86 1.296 -3.636 6.221 1.00 0.00 C ATOM 1320 O LEU A 86 0.796 -4.510 5.514 1.00 0.00 O ATOM 1321 CB LEU A 86 2.498 -1.670 5.247 1.00 0.00 C ATOM 1322 CG LEU A 86 2.399 -0.488 4.282 1.00 0.00 C ATOM 1323 CD1 LEU A 86 3.780 -0.087 3.787 1.00 0.00 C ATOM 1324 CD2 LEU A 86 1.489 -0.830 3.112 1.00 0.00 C ATOM 0 H LEU A 86 1.457 -0.590 7.201 1.00 0.00 H new ATOM 0 HA LEU A 86 0.390 -2.061 5.096 1.00 0.00 H new ATOM 0 HB2 LEU A 86 3.161 -1.390 6.066 1.00 0.00 H new ATOM 0 HB3 LEU A 86 2.971 -2.501 4.724 1.00 0.00 H new ATOM 0 HG LEU A 86 1.967 0.358 4.816 1.00 0.00 H new ATOM 0 HD11 LEU A 86 3.690 0.756 3.101 1.00 0.00 H new ATOM 0 HD12 LEU A 86 4.401 0.200 4.635 1.00 0.00 H new ATOM 0 HD13 LEU A 86 4.239 -0.929 3.269 1.00 0.00 H new ATOM 0 HD21 LEU A 86 1.430 0.023 2.435 1.00 0.00 H new ATOM 0 HD22 LEU A 86 1.892 -1.690 2.577 1.00 0.00 H new ATOM 0 HD23 LEU A 86 0.492 -1.068 3.484 1.00 0.00 H new ATOM 1336 N ASN A 87 1.958 -3.902 7.341 1.00 0.00 N ATOM 1337 CA ASN A 87 2.140 -5.270 7.815 1.00 0.00 C ATOM 1338 C ASN A 87 0.794 -5.938 8.077 1.00 0.00 C ATOM 1339 O ASN A 87 0.621 -7.128 7.818 1.00 0.00 O ATOM 1340 CB ASN A 87 2.986 -5.282 9.090 1.00 0.00 C ATOM 1341 CG ASN A 87 3.442 -6.677 9.469 1.00 0.00 C ATOM 1342 OD1 ASN A 87 2.816 -7.670 9.095 1.00 0.00 O ATOM 1343 ND2 ASN A 87 4.537 -6.760 10.214 1.00 0.00 N ATOM 0 H ASN A 87 2.378 -3.189 7.938 1.00 0.00 H new ATOM 0 HA ASN A 87 2.659 -5.832 7.038 1.00 0.00 H new ATOM 0 HB2 ASN A 87 3.858 -4.643 8.950 1.00 0.00 H new ATOM 0 HB3 ASN A 87 2.408 -4.857 9.910 1.00 0.00 H new ATOM 0 HD21 ASN A 87 4.892 -7.673 10.499 1.00 0.00 H new ATOM 0 HD22 ASN A 87 5.024 -5.911 10.501 1.00 0.00 H new ATOM 1350 N GLU A 88 -0.155 -5.163 8.593 1.00 0.00 N ATOM 1351 CA GLU A 88 -1.485 -5.681 8.891 1.00 0.00 C ATOM 1352 C GLU A 88 -2.165 -6.193 7.624 1.00 0.00 C ATOM 1353 O GLU A 88 -2.516 -7.369 7.528 1.00 0.00 O ATOM 1354 CB GLU A 88 -2.345 -4.596 9.542 1.00 0.00 C ATOM 1355 CG GLU A 88 -2.103 -4.442 11.034 1.00 0.00 C ATOM 1356 CD GLU A 88 -2.932 -5.405 11.862 1.00 0.00 C ATOM 1357 OE1 GLU A 88 -2.895 -6.619 11.573 1.00 0.00 O ATOM 1358 OE2 GLU A 88 -3.618 -4.944 12.798 1.00 0.00 O ATOM 0 H GLU A 88 -0.028 -4.175 8.813 1.00 0.00 H new ATOM 0 HA GLU A 88 -1.376 -6.513 9.586 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -2.147 -3.644 9.050 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -3.397 -4.829 9.375 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -1.046 -4.604 11.245 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -2.335 -3.420 11.332 1.00 0.00 H new ATOM 1365 N ILE A 89 -2.349 -5.301 6.657 1.00 0.00 N ATOM 1366 CA ILE A 89 -2.986 -5.661 5.397 1.00 0.00 C ATOM 1367 C ILE A 89 -2.106 -6.606 4.586 1.00 0.00 C ATOM 1368 O ILE A 89 -2.603 -7.427 3.814 1.00 0.00 O ATOM 1369 CB ILE A 89 -3.300 -4.415 4.548 1.00 0.00 C ATOM 1370 CG1 ILE A 89 -2.042 -3.563 4.369 1.00 0.00 C ATOM 1371 CG2 ILE A 89 -4.411 -3.601 5.193 1.00 0.00 C ATOM 1372 CD1 ILE A 89 -2.251 -2.356 3.481 1.00 0.00 C ATOM 0 H ILE A 89 -2.066 -4.323 6.722 1.00 0.00 H new ATOM 0 HA ILE A 89 -3.920 -6.164 5.649 1.00 0.00 H new ATOM 0 HB ILE A 89 -3.639 -4.739 3.564 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -1.697 -3.229 5.347 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -1.251 -4.182 3.946 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -4.621 -2.724 4.581 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -5.310 -4.212 5.273 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -4.099 -3.283 6.188 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -1.318 -1.799 3.399 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -2.566 -2.683 2.490 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -3.020 -1.715 3.913 1.00 0.00 H new ATOM 1384 N LYS A 90 -0.795 -6.487 4.767 1.00 0.00 N ATOM 1385 CA LYS A 90 0.156 -7.332 4.055 1.00 0.00 C ATOM 1386 C LYS A 90 -0.085 -8.805 4.367 1.00 0.00 C ATOM 1387 O LYS A 90 -0.366 -9.602 3.472 1.00 0.00 O ATOM 1388 CB LYS A 90 1.590 -6.948 4.430 1.00 0.00 C ATOM 1389 CG LYS A 90 2.636 -7.909 3.893 1.00 0.00 C ATOM 1390 CD LYS A 90 4.027 -7.557 4.395 1.00 0.00 C ATOM 1391 CE LYS A 90 4.223 -7.988 5.840 1.00 0.00 C ATOM 1392 NZ LYS A 90 4.292 -9.469 5.973 1.00 0.00 N ATOM 0 H LYS A 90 -0.367 -5.813 5.401 1.00 0.00 H new ATOM 0 HA LYS A 90 0.012 -7.177 2.986 1.00 0.00 H new ATOM 0 HB2 LYS A 90 1.800 -5.947 4.052 1.00 0.00 H new ATOM 0 HB3 LYS A 90 1.673 -6.903 5.516 1.00 0.00 H new ATOM 0 HG2 LYS A 90 2.386 -8.926 4.195 1.00 0.00 H new ATOM 0 HG3 LYS A 90 2.625 -7.888 2.803 1.00 0.00 H new ATOM 0 HD2 LYS A 90 4.775 -8.039 3.766 1.00 0.00 H new ATOM 0 HD3 LYS A 90 4.184 -6.482 4.310 1.00 0.00 H new ATOM 0 HE2 LYS A 90 5.140 -7.545 6.230 1.00 0.00 H new ATOM 0 HE3 LYS A 90 3.402 -7.607 6.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 3.603 -9.786 6.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 4.073 -9.910 5.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 5.249 -9.747 6.271 1.00 0.00 H new ATOM 1406 N LYS A 91 0.026 -9.161 5.643 1.00 0.00 N ATOM 1407 CA LYS A 91 -0.183 -10.537 6.075 1.00 0.00 C ATOM 1408 C LYS A 91 -1.602 -10.998 5.757 1.00 0.00 C ATOM 1409 O LYS A 91 -1.808 -12.104 5.257 1.00 0.00 O ATOM 1410 CB LYS A 91 0.083 -10.669 7.576 1.00 0.00 C ATOM 1411 CG LYS A 91 -0.668 -9.652 8.418 1.00 0.00 C ATOM 1412 CD LYS A 91 0.121 -9.262 9.657 1.00 0.00 C ATOM 1413 CE LYS A 91 0.092 -10.363 10.706 1.00 0.00 C ATOM 1414 NZ LYS A 91 -1.085 -10.237 11.609 1.00 0.00 N ATOM 0 H LYS A 91 0.260 -8.514 6.396 1.00 0.00 H new ATOM 0 HA LYS A 91 0.517 -11.172 5.531 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -0.195 -11.672 7.899 1.00 0.00 H new ATOM 0 HB3 LYS A 91 1.152 -10.561 7.758 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -0.872 -8.763 7.821 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -1.632 -10.065 8.715 1.00 0.00 H new ATOM 0 HD2 LYS A 91 1.153 -9.049 9.380 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -0.291 -8.345 10.079 1.00 0.00 H new ATOM 0 HE2 LYS A 91 0.069 -11.335 10.212 1.00 0.00 H new ATOM 0 HE3 LYS A 91 1.008 -10.327 11.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -1.069 -11.005 12.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -1.050 -9.321 12.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -1.960 -10.297 11.050 1.00 0.00 H new ATOM 1428 N ARG A 92 -2.576 -10.143 6.050 1.00 0.00 N ATOM 1429 CA ARG A 92 -3.976 -10.463 5.795 1.00 0.00 C ATOM 1430 C ARG A 92 -4.183 -10.873 4.340 1.00 0.00 C ATOM 1431 O ARG A 92 -5.011 -11.733 4.039 1.00 0.00 O ATOM 1432 CB ARG A 92 -4.864 -9.263 6.130 1.00 0.00 C ATOM 1433 CG ARG A 92 -5.295 -9.213 7.586 1.00 0.00 C ATOM 1434 CD ARG A 92 -6.513 -8.322 7.776 1.00 0.00 C ATOM 1435 NE ARG A 92 -7.015 -8.365 9.147 1.00 0.00 N ATOM 1436 CZ ARG A 92 -6.445 -7.721 10.159 1.00 0.00 C ATOM 1437 NH1 ARG A 92 -5.359 -6.987 9.955 1.00 0.00 N ATOM 1438 NH2 ARG A 92 -6.960 -7.809 11.378 1.00 0.00 N ATOM 0 H ARG A 92 -2.422 -9.224 6.464 1.00 0.00 H new ATOM 0 HA ARG A 92 -4.254 -11.301 6.434 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -4.328 -8.346 5.887 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -5.751 -9.291 5.498 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -5.522 -10.221 7.934 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -4.472 -8.842 8.198 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -6.255 -7.295 7.517 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -7.301 -8.635 7.091 1.00 0.00 H new ATOM 0 HE ARG A 92 -7.849 -8.920 9.338 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -4.960 -6.916 9.019 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -4.923 -6.493 10.734 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -7.795 -8.372 11.539 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -6.521 -7.314 12.154 1.00 0.00 H new ATOM 1452 N PHE A 93 -3.427 -10.251 3.442 1.00 0.00 N ATOM 1453 CA PHE A 93 -3.529 -10.550 2.018 1.00 0.00 C ATOM 1454 C PHE A 93 -2.703 -11.783 1.661 1.00 0.00 C ATOM 1455 O PHE A 93 -3.247 -12.815 1.272 1.00 0.00 O ATOM 1456 CB PHE A 93 -3.062 -9.352 1.189 1.00 0.00 C ATOM 1457 CG PHE A 93 -3.278 -9.524 -0.287 1.00 0.00 C ATOM 1458 CD1 PHE A 93 -4.549 -9.438 -0.830 1.00 0.00 C ATOM 1459 CD2 PHE A 93 -2.208 -9.773 -1.132 1.00 0.00 C ATOM 1460 CE1 PHE A 93 -4.751 -9.596 -2.189 1.00 0.00 C ATOM 1461 CE2 PHE A 93 -2.403 -9.931 -2.491 1.00 0.00 C ATOM 1462 CZ PHE A 93 -3.676 -9.844 -3.020 1.00 0.00 C ATOM 0 H PHE A 93 -2.737 -9.537 3.675 1.00 0.00 H new ATOM 0 HA PHE A 93 -4.575 -10.756 1.789 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -3.591 -8.460 1.524 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -2.002 -9.182 1.376 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -5.393 -9.245 -0.184 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -1.211 -9.844 -0.724 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -5.747 -9.526 -2.600 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -1.561 -10.122 -3.139 1.00 0.00 H new ATOM 0 HZ PHE A 93 -3.830 -9.970 -4.081 1.00 0.00 H new ATOM 1472 N GLN A 94 -1.386 -11.664 1.795 1.00 0.00 N ATOM 1473 CA GLN A 94 -0.484 -12.768 1.485 1.00 0.00 C ATOM 1474 C GLN A 94 -0.963 -14.061 2.137 1.00 0.00 C ATOM 1475 O GLN A 94 -0.594 -15.156 1.713 1.00 0.00 O ATOM 1476 CB GLN A 94 0.935 -12.441 1.952 1.00 0.00 C ATOM 1477 CG GLN A 94 1.174 -12.739 3.424 1.00 0.00 C ATOM 1478 CD GLN A 94 2.407 -12.043 3.967 1.00 0.00 C ATOM 1479 OE1 GLN A 94 2.827 -11.007 3.451 1.00 0.00 O ATOM 1480 NE2 GLN A 94 2.994 -12.611 5.014 1.00 0.00 N ATOM 0 H GLN A 94 -0.920 -10.815 2.116 1.00 0.00 H new ATOM 0 HA GLN A 94 -0.479 -12.908 0.404 1.00 0.00 H new ATOM 0 HB2 GLN A 94 1.646 -13.011 1.354 1.00 0.00 H new ATOM 0 HB3 GLN A 94 1.136 -11.386 1.766 1.00 0.00 H new ATOM 0 HG2 GLN A 94 0.302 -12.428 4.000 1.00 0.00 H new ATOM 0 HG3 GLN A 94 1.279 -13.815 3.561 1.00 0.00 H new ATOM 0 HE21 GLN A 94 2.611 -13.470 5.409 1.00 0.00 H new ATOM 0 HE22 GLN A 94 3.828 -12.188 5.423 1.00 0.00 H new ATOM 1489 N THR A 95 -1.787 -13.927 3.171 1.00 0.00 N ATOM 1490 CA THR A 95 -2.314 -15.084 3.883 1.00 0.00 C ATOM 1491 C THR A 95 -3.675 -15.494 3.332 1.00 0.00 C ATOM 1492 O THR A 95 -4.032 -16.673 3.345 1.00 0.00 O ATOM 1493 CB THR A 95 -2.448 -14.802 5.392 1.00 0.00 C ATOM 1494 OG1 THR A 95 -1.186 -14.387 5.926 1.00 0.00 O ATOM 1495 CG2 THR A 95 -2.935 -16.039 6.132 1.00 0.00 C ATOM 0 H THR A 95 -2.104 -13.028 3.534 1.00 0.00 H new ATOM 0 HA THR A 95 -1.604 -15.898 3.735 1.00 0.00 H new ATOM 0 HB THR A 95 -3.179 -14.005 5.527 1.00 0.00 H new ATOM 0 HG1 THR A 95 -0.978 -13.484 5.608 1.00 0.00 H new ATOM 0 HG21 THR A 95 -3.022 -15.816 7.195 1.00 0.00 H new ATOM 0 HG22 THR A 95 -3.909 -16.336 5.743 1.00 0.00 H new ATOM 0 HG23 THR A 95 -2.224 -16.852 5.989 1.00 0.00 H new ATOM 1503 N THR A 96 -4.433 -14.515 2.848 1.00 0.00 N ATOM 1504 CA THR A 96 -5.755 -14.775 2.293 1.00 0.00 C ATOM 1505 C THR A 96 -5.687 -14.978 0.783 1.00 0.00 C ATOM 1506 O THR A 96 -5.925 -16.078 0.284 1.00 0.00 O ATOM 1507 CB THR A 96 -6.730 -13.623 2.601 1.00 0.00 C ATOM 1508 OG1 THR A 96 -6.846 -13.445 4.017 1.00 0.00 O ATOM 1509 CG2 THR A 96 -8.102 -13.901 2.006 1.00 0.00 C ATOM 0 H THR A 96 -4.153 -13.534 2.829 1.00 0.00 H new ATOM 0 HA THR A 96 -6.122 -15.687 2.764 1.00 0.00 H new ATOM 0 HB THR A 96 -6.335 -12.712 2.152 1.00 0.00 H new ATOM 0 HG1 THR A 96 -6.041 -13.002 4.358 1.00 0.00 H new ATOM 0 HG21 THR A 96 -8.773 -13.074 2.237 1.00 0.00 H new ATOM 0 HG22 THR A 96 -8.015 -14.007 0.925 1.00 0.00 H new ATOM 0 HG23 THR A 96 -8.503 -14.822 2.430 1.00 0.00 H new ATOM 1517 N TYR A 97 -5.360 -13.912 0.062 1.00 0.00 N ATOM 1518 CA TYR A 97 -5.263 -13.973 -1.392 1.00 0.00 C ATOM 1519 C TYR A 97 -3.806 -13.943 -1.842 1.00 0.00 C ATOM 1520 O TYR A 97 -3.492 -13.479 -2.937 1.00 0.00 O ATOM 1521 CB TYR A 97 -6.028 -12.809 -2.025 1.00 0.00 C ATOM 1522 CG TYR A 97 -7.381 -12.562 -1.398 1.00 0.00 C ATOM 1523 CD1 TYR A 97 -8.370 -13.538 -1.423 1.00 0.00 C ATOM 1524 CD2 TYR A 97 -7.672 -11.352 -0.779 1.00 0.00 C ATOM 1525 CE1 TYR A 97 -9.608 -13.316 -0.853 1.00 0.00 C ATOM 1526 CE2 TYR A 97 -8.907 -11.122 -0.204 1.00 0.00 C ATOM 1527 CZ TYR A 97 -9.872 -12.107 -0.244 1.00 0.00 C ATOM 1528 OH TYR A 97 -11.103 -11.882 0.327 1.00 0.00 O ATOM 0 H TYR A 97 -5.158 -12.995 0.460 1.00 0.00 H new ATOM 0 HA TYR A 97 -5.707 -14.912 -1.721 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -5.428 -11.903 -1.942 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -6.160 -13.008 -3.089 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -8.167 -14.487 -1.897 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -6.919 -10.578 -0.747 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -10.366 -14.085 -0.884 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -9.116 -10.176 0.274 1.00 0.00 H new ATOM 0 HH TYR A 97 -11.125 -10.982 0.714 1.00 0.00 H new ATOM 1538 N GLY A 98 -2.919 -14.443 -0.987 1.00 0.00 N ATOM 1539 CA GLY A 98 -1.505 -14.466 -1.313 1.00 0.00 C ATOM 1540 C GLY A 98 -1.168 -15.506 -2.363 1.00 0.00 C ATOM 1541 O GLY A 98 -0.740 -15.168 -3.466 1.00 0.00 O ATOM 0 H GLY A 98 -3.155 -14.833 -0.074 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -1.202 -13.482 -1.671 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -0.930 -14.668 -0.409 1.00 0.00 H new ATOM 1545 N SER A 99 -1.361 -16.775 -2.019 1.00 0.00 N ATOM 1546 CA SER A 99 -1.070 -17.869 -2.938 1.00 0.00 C ATOM 1547 C SER A 99 -1.870 -17.721 -4.229 1.00 0.00 C ATOM 1548 O SER A 99 -1.350 -17.944 -5.323 1.00 0.00 O ATOM 1549 CB SER A 99 -1.386 -19.214 -2.281 1.00 0.00 C ATOM 1550 OG SER A 99 -2.758 -19.305 -1.940 1.00 0.00 O ATOM 0 H SER A 99 -1.718 -17.071 -1.110 1.00 0.00 H new ATOM 0 HA SER A 99 -0.008 -17.833 -3.182 1.00 0.00 H new ATOM 0 HB2 SER A 99 -1.122 -20.025 -2.960 1.00 0.00 H new ATOM 0 HB3 SER A 99 -0.777 -19.337 -1.386 1.00 0.00 H new ATOM 0 HG SER A 99 -2.935 -20.174 -1.523 1.00 0.00 H new ATOM 1556 N ARG A 100 -3.137 -17.344 -4.093 1.00 0.00 N ATOM 1557 CA ARG A 100 -4.009 -17.167 -5.248 1.00 0.00 C ATOM 1558 C ARG A 100 -3.514 -16.029 -6.135 1.00 0.00 C ATOM 1559 O ARG A 100 -3.781 -16.004 -7.336 1.00 0.00 O ATOM 1560 CB ARG A 100 -5.442 -16.886 -4.792 1.00 0.00 C ATOM 1561 CG ARG A 100 -6.284 -18.140 -4.619 1.00 0.00 C ATOM 1562 CD ARG A 100 -7.766 -17.845 -4.792 1.00 0.00 C ATOM 1563 NE ARG A 100 -8.500 -19.004 -5.291 1.00 0.00 N ATOM 1564 CZ ARG A 100 -8.935 -19.989 -4.513 1.00 0.00 C ATOM 1565 NH1 ARG A 100 -8.710 -19.955 -3.207 1.00 0.00 N ATOM 1566 NH2 ARG A 100 -9.596 -21.011 -5.041 1.00 0.00 N ATOM 0 H ARG A 100 -3.582 -17.155 -3.195 1.00 0.00 H new ATOM 0 HA ARG A 100 -3.993 -18.089 -5.829 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -5.414 -16.345 -3.846 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -5.924 -16.233 -5.519 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -5.974 -18.891 -5.346 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -6.109 -18.563 -3.630 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -8.187 -17.533 -3.836 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -7.891 -17.011 -5.483 1.00 0.00 H new ATOM 0 HE ARG A 100 -8.689 -19.061 -6.292 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -8.202 -19.171 -2.797 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -9.045 -20.713 -2.612 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -9.771 -21.041 -6.045 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -9.929 -21.767 -4.442 1.00 0.00 H new ATOM 1580 N ALA A 101 -2.791 -15.090 -5.534 1.00 0.00 N ATOM 1581 CA ALA A 101 -2.257 -13.950 -6.270 1.00 0.00 C ATOM 1582 C ALA A 101 -1.091 -14.368 -7.159 1.00 0.00 C ATOM 1583 O ALA A 101 -0.516 -13.546 -7.872 1.00 0.00 O ATOM 1584 CB ALA A 101 -1.821 -12.857 -5.305 1.00 0.00 C ATOM 0 H ALA A 101 -2.562 -15.096 -4.540 1.00 0.00 H new ATOM 0 HA ALA A 101 -3.048 -13.560 -6.911 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -1.424 -12.012 -5.868 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -2.677 -12.530 -4.715 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -1.049 -13.245 -4.641 1.00 0.00 H new ATOM 1590 N GLN A 102 -0.747 -15.652 -7.112 1.00 0.00 N ATOM 1591 CA GLN A 102 0.352 -16.177 -7.913 1.00 0.00 C ATOM 1592 C GLN A 102 -0.173 -16.881 -9.161 1.00 0.00 C ATOM 1593 O GLN A 102 0.599 -17.271 -10.038 1.00 0.00 O ATOM 1594 CB GLN A 102 1.197 -17.146 -7.084 1.00 0.00 C ATOM 1595 CG GLN A 102 1.580 -16.603 -5.717 1.00 0.00 C ATOM 1596 CD GLN A 102 1.967 -15.138 -5.759 1.00 0.00 C ATOM 1597 OE1 GLN A 102 1.370 -14.307 -5.074 1.00 0.00 O ATOM 1598 NE2 GLN A 102 2.971 -14.813 -6.564 1.00 0.00 N ATOM 0 H GLN A 102 -1.213 -16.346 -6.528 1.00 0.00 H new ATOM 0 HA GLN A 102 0.975 -15.339 -8.225 1.00 0.00 H new ATOM 0 HB2 GLN A 102 0.645 -18.077 -6.954 1.00 0.00 H new ATOM 0 HB3 GLN A 102 2.105 -17.388 -7.637 1.00 0.00 H new ATOM 0 HG2 GLN A 102 0.744 -16.734 -5.031 1.00 0.00 H new ATOM 0 HG3 GLN A 102 2.413 -17.184 -5.320 1.00 0.00 H new ATOM 0 HE21 GLN A 102 3.438 -15.534 -7.114 1.00 0.00 H new ATOM 0 HE22 GLN A 102 3.276 -13.842 -6.633 1.00 0.00 H new ATOM 1607 N THR A 103 -1.490 -17.041 -9.234 1.00 0.00 N ATOM 1608 CA THR A 103 -2.118 -17.699 -10.373 1.00 0.00 C ATOM 1609 C THR A 103 -3.266 -16.863 -10.927 1.00 0.00 C ATOM 1610 O THR A 103 -3.569 -16.919 -12.119 1.00 0.00 O ATOM 1611 CB THR A 103 -2.650 -19.093 -9.994 1.00 0.00 C ATOM 1612 OG1 THR A 103 -3.528 -18.992 -8.867 1.00 0.00 O ATOM 1613 CG2 THR A 103 -1.505 -20.039 -9.667 1.00 0.00 C ATOM 0 H THR A 103 -2.143 -16.724 -8.518 1.00 0.00 H new ATOM 0 HA THR A 103 -1.349 -17.808 -11.138 1.00 0.00 H new ATOM 0 HB THR A 103 -3.198 -19.493 -10.847 1.00 0.00 H new ATOM 0 HG1 THR A 103 -3.864 -19.883 -8.633 1.00 0.00 H new ATOM 0 HG21 THR A 103 -1.906 -21.017 -9.402 1.00 0.00 H new ATOM 0 HG22 THR A 103 -0.854 -20.136 -10.536 1.00 0.00 H new ATOM 0 HG23 THR A 103 -0.933 -19.642 -8.828 1.00 0.00 H new ATOM 1621 N ALA A 104 -3.901 -16.087 -10.055 1.00 0.00 N ATOM 1622 CA ALA A 104 -5.014 -15.236 -10.458 1.00 0.00 C ATOM 1623 C ALA A 104 -4.524 -14.028 -11.249 1.00 0.00 C ATOM 1624 O ALA A 104 -3.474 -13.452 -10.962 1.00 0.00 O ATOM 1625 CB ALA A 104 -5.803 -14.786 -9.238 1.00 0.00 C ATOM 0 H ALA A 104 -3.664 -16.030 -9.065 1.00 0.00 H new ATOM 0 HA ALA A 104 -5.669 -15.819 -11.105 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -6.631 -14.151 -9.554 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -6.194 -15.659 -8.715 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -5.150 -14.225 -8.569 1.00 0.00 H new ATOM 1631 N PRO A 105 -5.299 -13.634 -12.270 1.00 0.00 N ATOM 1632 CA PRO A 105 -4.963 -12.490 -13.124 1.00 0.00 C ATOM 1633 C PRO A 105 -5.088 -11.161 -12.387 1.00 0.00 C ATOM 1634 O PRO A 105 -5.604 -11.087 -11.272 1.00 0.00 O ATOM 1635 CB PRO A 105 -5.994 -12.575 -14.252 1.00 0.00 C ATOM 1636 CG PRO A 105 -7.150 -13.301 -13.655 1.00 0.00 C ATOM 1637 CD PRO A 105 -6.564 -14.273 -12.669 1.00 0.00 C ATOM 0 HA PRO A 105 -3.930 -12.528 -13.469 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -6.285 -11.583 -14.598 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -5.594 -13.108 -15.114 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -7.833 -12.609 -13.162 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -7.723 -13.821 -14.423 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -7.224 -14.426 -11.815 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -6.395 -15.251 -13.120 1.00 0.00 H new ATOM 1645 N PRO A 106 -4.604 -10.083 -13.023 1.00 0.00 N ATOM 1646 CA PRO A 106 -4.651 -8.736 -12.447 1.00 0.00 C ATOM 1647 C PRO A 106 -6.071 -8.183 -12.381 1.00 0.00 C ATOM 1648 O PRO A 106 -6.851 -8.335 -13.322 1.00 0.00 O ATOM 1649 CB PRO A 106 -3.798 -7.908 -13.411 1.00 0.00 C ATOM 1650 CG PRO A 106 -3.873 -8.639 -14.707 1.00 0.00 C ATOM 1651 CD PRO A 106 -3.976 -10.097 -14.355 1.00 0.00 C ATOM 0 HA PRO A 106 -4.292 -8.720 -11.418 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -4.182 -6.892 -13.507 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -2.769 -7.828 -13.060 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -4.737 -8.316 -15.288 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -2.990 -8.446 -15.316 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -4.581 -10.643 -15.079 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -2.997 -10.575 -14.333 1.00 0.00 H new ATOM 1659 N TYR A 107 -6.399 -7.540 -11.266 1.00 0.00 N ATOM 1660 CA TYR A 107 -7.726 -6.965 -11.078 1.00 0.00 C ATOM 1661 C TYR A 107 -8.785 -8.059 -10.986 1.00 0.00 C ATOM 1662 O TYR A 107 -9.864 -7.945 -11.567 1.00 0.00 O ATOM 1663 CB TYR A 107 -8.059 -6.012 -12.227 1.00 0.00 C ATOM 1664 CG TYR A 107 -7.006 -4.953 -12.461 1.00 0.00 C ATOM 1665 CD1 TYR A 107 -6.997 -3.778 -11.720 1.00 0.00 C ATOM 1666 CD2 TYR A 107 -6.018 -5.128 -13.422 1.00 0.00 C ATOM 1667 CE1 TYR A 107 -6.037 -2.807 -11.930 1.00 0.00 C ATOM 1668 CE2 TYR A 107 -5.053 -4.164 -13.639 1.00 0.00 C ATOM 1669 CZ TYR A 107 -5.067 -3.005 -12.891 1.00 0.00 C ATOM 1670 OH TYR A 107 -4.108 -2.041 -13.103 1.00 0.00 O ATOM 0 H TYR A 107 -5.765 -7.404 -10.479 1.00 0.00 H new ATOM 0 HA TYR A 107 -7.724 -6.407 -10.142 1.00 0.00 H new ATOM 0 HB2 TYR A 107 -8.189 -6.591 -13.141 1.00 0.00 H new ATOM 0 HB3 TYR A 107 -9.012 -5.525 -12.019 1.00 0.00 H new ATOM 0 HD1 TYR A 107 -7.754 -3.621 -10.966 1.00 0.00 H new ATOM 0 HD2 TYR A 107 -6.004 -6.034 -14.010 1.00 0.00 H new ATOM 0 HE1 TYR A 107 -6.046 -1.899 -11.346 1.00 0.00 H new ATOM 0 HE2 TYR A 107 -4.292 -4.317 -14.390 1.00 0.00 H new ATOM 0 HH TYR A 107 -3.499 -2.335 -13.812 1.00 0.00 H new ATOM 1680 N ALA A 108 -8.469 -9.119 -10.249 1.00 0.00 N ATOM 1681 CA ALA A 108 -9.393 -10.233 -10.077 1.00 0.00 C ATOM 1682 C ALA A 108 -10.019 -10.218 -8.687 1.00 0.00 C ATOM 1683 O ALA A 108 -11.195 -10.538 -8.522 1.00 0.00 O ATOM 1684 CB ALA A 108 -8.680 -11.554 -10.323 1.00 0.00 C ATOM 0 H ALA A 108 -7.580 -9.229 -9.761 1.00 0.00 H new ATOM 0 HA ALA A 108 -10.194 -10.124 -10.808 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -9.383 -12.377 -10.191 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -8.287 -11.572 -11.340 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -7.858 -11.661 -9.615 1.00 0.00 H new ATOM 1690 N MET A 109 -9.223 -9.844 -7.690 1.00 0.00 N ATOM 1691 CA MET A 109 -9.700 -9.787 -6.312 1.00 0.00 C ATOM 1692 C MET A 109 -9.549 -8.381 -5.742 1.00 0.00 C ATOM 1693 O MET A 109 -9.171 -8.208 -4.584 1.00 0.00 O ATOM 1694 CB MET A 109 -8.936 -10.788 -5.444 1.00 0.00 C ATOM 1695 CG MET A 109 -7.476 -10.419 -5.233 1.00 0.00 C ATOM 1696 SD MET A 109 -6.392 -11.132 -6.484 1.00 0.00 S ATOM 1697 CE MET A 109 -6.290 -12.828 -5.917 1.00 0.00 C ATOM 0 H MET A 109 -8.246 -9.576 -7.810 1.00 0.00 H new ATOM 0 HA MET A 109 -10.758 -10.048 -6.309 1.00 0.00 H new ATOM 0 HB2 MET A 109 -9.427 -10.864 -4.474 1.00 0.00 H new ATOM 0 HB3 MET A 109 -8.990 -11.773 -5.907 1.00 0.00 H new ATOM 0 HG2 MET A 109 -7.374 -9.334 -5.245 1.00 0.00 H new ATOM 0 HG3 MET A 109 -7.158 -10.758 -4.247 1.00 0.00 H new ATOM 0 HE1 MET A 109 -6.411 -13.503 -6.764 1.00 0.00 H new ATOM 0 HE2 MET A 109 -5.319 -12.999 -5.453 1.00 0.00 H new ATOM 0 HE3 MET A 109 -7.078 -13.016 -5.188 1.00 0.00 H new ATOM 1707 N ASN A 110 -9.846 -7.379 -6.564 1.00 0.00 N ATOM 1708 CA ASN A 110 -9.741 -5.987 -6.141 1.00 0.00 C ATOM 1709 C ASN A 110 -10.925 -5.595 -5.261 1.00 0.00 C ATOM 1710 O ASN A 110 -10.751 -5.004 -4.196 1.00 0.00 O ATOM 1711 CB ASN A 110 -9.670 -5.066 -7.360 1.00 0.00 C ATOM 1712 CG ASN A 110 -9.487 -3.610 -6.975 1.00 0.00 C ATOM 1713 OD1 ASN A 110 -8.790 -3.295 -6.010 1.00 0.00 O ATOM 1714 ND2 ASN A 110 -10.114 -2.715 -7.729 1.00 0.00 N ATOM 0 H ASN A 110 -10.161 -7.505 -7.526 1.00 0.00 H new ATOM 0 HA ASN A 110 -8.826 -5.878 -5.558 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -8.843 -5.377 -7.999 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -10.583 -5.172 -7.946 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -10.028 -1.721 -7.518 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -10.681 -3.022 -8.519 1.00 0.00 H new ATOM 1721 N SER A 111 -12.128 -5.930 -5.715 1.00 0.00 N ATOM 1722 CA SER A 111 -13.342 -5.611 -4.972 1.00 0.00 C ATOM 1723 C SER A 111 -13.212 -6.036 -3.513 1.00 0.00 C ATOM 1724 O SER A 111 -13.205 -5.200 -2.610 1.00 0.00 O ATOM 1725 CB SER A 111 -14.551 -6.297 -5.610 1.00 0.00 C ATOM 1726 OG SER A 111 -15.759 -5.669 -5.218 1.00 0.00 O ATOM 0 H SER A 111 -12.289 -6.422 -6.594 1.00 0.00 H new ATOM 0 HA SER A 111 -13.487 -4.531 -5.006 1.00 0.00 H new ATOM 0 HB2 SER A 111 -14.458 -6.269 -6.696 1.00 0.00 H new ATOM 0 HB3 SER A 111 -14.572 -7.347 -5.319 1.00 0.00 H new ATOM 0 HG SER A 111 -16.517 -6.125 -5.640 1.00 0.00 H new ATOM 1732 N GLU A 112 -13.111 -7.343 -3.290 1.00 0.00 N ATOM 1733 CA GLU A 112 -12.984 -7.880 -1.941 1.00 0.00 C ATOM 1734 C GLU A 112 -11.958 -7.088 -1.135 1.00 0.00 C ATOM 1735 O GLU A 112 -12.257 -6.585 -0.052 1.00 0.00 O ATOM 1736 CB GLU A 112 -12.580 -9.355 -1.991 1.00 0.00 C ATOM 1737 CG GLU A 112 -13.745 -10.296 -2.246 1.00 0.00 C ATOM 1738 CD GLU A 112 -14.733 -10.327 -1.097 1.00 0.00 C ATOM 1739 OE1 GLU A 112 -14.409 -10.926 -0.051 1.00 0.00 O ATOM 1740 OE2 GLU A 112 -15.832 -9.751 -1.245 1.00 0.00 O ATOM 0 H GLU A 112 -13.115 -8.049 -4.026 1.00 0.00 H new ATOM 0 HA GLU A 112 -13.953 -7.793 -1.450 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -11.834 -9.493 -2.774 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -12.105 -9.625 -1.048 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -14.261 -9.990 -3.156 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -13.363 -11.302 -2.419 1.00 0.00 H new ATOM 1747 N PHE A 113 -10.747 -6.981 -1.671 1.00 0.00 N ATOM 1748 CA PHE A 113 -9.676 -6.252 -1.003 1.00 0.00 C ATOM 1749 C PHE A 113 -10.026 -4.773 -0.869 1.00 0.00 C ATOM 1750 O PHE A 113 -9.541 -4.088 0.032 1.00 0.00 O ATOM 1751 CB PHE A 113 -8.364 -6.409 -1.774 1.00 0.00 C ATOM 1752 CG PHE A 113 -7.145 -6.368 -0.898 1.00 0.00 C ATOM 1753 CD1 PHE A 113 -7.042 -7.197 0.208 1.00 0.00 C ATOM 1754 CD2 PHE A 113 -6.101 -5.501 -1.180 1.00 0.00 C ATOM 1755 CE1 PHE A 113 -5.921 -7.162 1.016 1.00 0.00 C ATOM 1756 CE2 PHE A 113 -4.978 -5.463 -0.376 1.00 0.00 C ATOM 1757 CZ PHE A 113 -4.888 -6.293 0.724 1.00 0.00 C ATOM 0 H PHE A 113 -10.483 -7.390 -2.567 1.00 0.00 H new ATOM 0 HA PHE A 113 -9.554 -6.671 -0.004 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -8.381 -7.355 -2.315 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -8.293 -5.617 -2.519 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -7.847 -7.878 0.441 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -6.166 -4.848 -2.038 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -5.853 -7.813 1.875 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -4.171 -4.784 -0.608 1.00 0.00 H new ATOM 0 HZ PHE A 113 -4.012 -6.263 1.355 1.00 0.00 H new ATOM 1767 N SER A 114 -10.871 -4.287 -1.772 1.00 0.00 N ATOM 1768 CA SER A 114 -11.284 -2.888 -1.758 1.00 0.00 C ATOM 1769 C SER A 114 -12.017 -2.551 -0.464 1.00 0.00 C ATOM 1770 O SER A 114 -11.713 -1.556 0.194 1.00 0.00 O ATOM 1771 CB SER A 114 -12.182 -2.588 -2.960 1.00 0.00 C ATOM 1772 OG SER A 114 -12.207 -1.200 -3.244 1.00 0.00 O ATOM 0 H SER A 114 -11.283 -4.841 -2.523 1.00 0.00 H new ATOM 0 HA SER A 114 -10.389 -2.269 -1.819 1.00 0.00 H new ATOM 0 HB2 SER A 114 -11.822 -3.134 -3.832 1.00 0.00 H new ATOM 0 HB3 SER A 114 -13.194 -2.939 -2.759 1.00 0.00 H new ATOM 0 HG SER A 114 -12.786 -1.035 -4.017 1.00 0.00 H new ATOM 1778 N SER A 115 -12.986 -3.387 -0.104 1.00 0.00 N ATOM 1779 CA SER A 115 -13.766 -3.177 1.109 1.00 0.00 C ATOM 1780 C SER A 115 -12.913 -3.414 2.352 1.00 0.00 C ATOM 1781 O SER A 115 -12.970 -2.647 3.313 1.00 0.00 O ATOM 1782 CB SER A 115 -14.982 -4.105 1.127 1.00 0.00 C ATOM 1783 OG SER A 115 -16.085 -3.513 0.463 1.00 0.00 O ATOM 0 H SER A 115 -13.249 -4.216 -0.636 1.00 0.00 H new ATOM 0 HA SER A 115 -14.108 -2.142 1.116 1.00 0.00 H new ATOM 0 HB2 SER A 115 -14.729 -5.050 0.647 1.00 0.00 H new ATOM 0 HB3 SER A 115 -15.254 -4.334 2.158 1.00 0.00 H new ATOM 0 HG SER A 115 -16.849 -4.126 0.487 1.00 0.00 H new ATOM 1789 N VAL A 116 -12.122 -4.482 2.324 1.00 0.00 N ATOM 1790 CA VAL A 116 -11.256 -4.822 3.446 1.00 0.00 C ATOM 1791 C VAL A 116 -10.270 -3.696 3.739 1.00 0.00 C ATOM 1792 O VAL A 116 -10.230 -3.163 4.849 1.00 0.00 O ATOM 1793 CB VAL A 116 -10.472 -6.120 3.178 1.00 0.00 C ATOM 1794 CG1 VAL A 116 -9.529 -6.423 4.332 1.00 0.00 C ATOM 1795 CG2 VAL A 116 -11.428 -7.279 2.941 1.00 0.00 C ATOM 0 H VAL A 116 -12.063 -5.127 1.536 1.00 0.00 H new ATOM 0 HA VAL A 116 -11.902 -4.970 4.311 1.00 0.00 H new ATOM 0 HB VAL A 116 -9.873 -5.983 2.278 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -8.984 -7.344 4.124 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -8.822 -5.602 4.450 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -10.104 -6.541 5.250 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -10.858 -8.189 2.753 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -12.055 -7.419 3.821 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -12.057 -7.061 2.078 1.00 0.00 H new ATOM 1805 N LEU A 117 -9.474 -3.339 2.737 1.00 0.00 N ATOM 1806 CA LEU A 117 -8.487 -2.276 2.886 1.00 0.00 C ATOM 1807 C LEU A 117 -9.137 -0.997 3.402 1.00 0.00 C ATOM 1808 O LEU A 117 -8.646 -0.374 4.343 1.00 0.00 O ATOM 1809 CB LEU A 117 -7.794 -2.005 1.549 1.00 0.00 C ATOM 1810 CG LEU A 117 -6.610 -2.912 1.210 1.00 0.00 C ATOM 1811 CD1 LEU A 117 -6.144 -2.670 -0.217 1.00 0.00 C ATOM 1812 CD2 LEU A 117 -5.469 -2.687 2.192 1.00 0.00 C ATOM 0 H LEU A 117 -9.493 -3.770 1.813 1.00 0.00 H new ATOM 0 HA LEU A 117 -7.745 -2.604 3.614 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -8.534 -2.095 0.754 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -7.447 -0.972 1.545 1.00 0.00 H new ATOM 0 HG LEU A 117 -6.935 -3.949 1.293 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -5.301 -3.324 -0.440 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -6.961 -2.882 -0.907 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -5.836 -1.630 -0.328 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -4.635 -3.340 1.936 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -5.145 -1.648 2.141 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -5.809 -2.912 3.203 1.00 0.00 H new ATOM 1824 N ALA A 118 -10.248 -0.611 2.781 1.00 0.00 N ATOM 1825 CA ALA A 118 -10.968 0.591 3.181 1.00 0.00 C ATOM 1826 C ALA A 118 -11.210 0.611 4.687 1.00 0.00 C ATOM 1827 O ALA A 118 -10.955 1.615 5.352 1.00 0.00 O ATOM 1828 CB ALA A 118 -12.289 0.689 2.432 1.00 0.00 C ATOM 0 H ALA A 118 -10.668 -1.114 1.999 1.00 0.00 H new ATOM 0 HA ALA A 118 -10.353 1.454 2.926 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -12.816 1.592 2.741 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -12.097 0.730 1.360 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -12.901 -0.184 2.658 1.00 0.00 H new ATOM 1834 N ALA A 119 -11.702 -0.503 5.217 1.00 0.00 N ATOM 1835 CA ALA A 119 -11.977 -0.613 6.645 1.00 0.00 C ATOM 1836 C ALA A 119 -10.702 -0.438 7.464 1.00 0.00 C ATOM 1837 O ALA A 119 -10.720 0.173 8.532 1.00 0.00 O ATOM 1838 CB ALA A 119 -12.626 -1.954 6.956 1.00 0.00 C ATOM 0 H ALA A 119 -11.919 -1.343 4.680 1.00 0.00 H new ATOM 0 HA ALA A 119 -12.667 0.185 6.920 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -12.826 -2.022 8.025 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -13.563 -2.041 6.406 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -11.955 -2.760 6.660 1.00 0.00 H new ATOM 1844 N GLN A 120 -9.599 -0.977 6.956 1.00 0.00 N ATOM 1845 CA GLN A 120 -8.316 -0.880 7.643 1.00 0.00 C ATOM 1846 C GLN A 120 -7.858 0.571 7.738 1.00 0.00 C ATOM 1847 O GLN A 120 -7.405 1.022 8.791 1.00 0.00 O ATOM 1848 CB GLN A 120 -7.260 -1.714 6.915 1.00 0.00 C ATOM 1849 CG GLN A 120 -7.374 -3.207 7.181 1.00 0.00 C ATOM 1850 CD GLN A 120 -7.124 -3.561 8.633 1.00 0.00 C ATOM 1851 OE1 GLN A 120 -5.978 -3.644 9.076 1.00 0.00 O ATOM 1852 NE2 GLN A 120 -8.198 -3.773 9.385 1.00 0.00 N ATOM 0 H GLN A 120 -9.567 -1.485 6.072 1.00 0.00 H new ATOM 0 HA GLN A 120 -8.443 -1.269 8.653 1.00 0.00 H new ATOM 0 HB2 GLN A 120 -7.345 -1.537 5.843 1.00 0.00 H new ATOM 0 HB3 GLN A 120 -6.269 -1.374 7.217 1.00 0.00 H new ATOM 0 HG2 GLN A 120 -8.368 -3.549 6.894 1.00 0.00 H new ATOM 0 HG3 GLN A 120 -6.660 -3.740 6.553 1.00 0.00 H new ATOM 0 HE21 GLN A 120 -9.130 -3.694 8.977 1.00 0.00 H new ATOM 0 HE22 GLN A 120 -8.091 -4.015 10.370 1.00 0.00 H new ATOM 1861 N LEU A 121 -7.979 1.298 6.633 1.00 0.00 N ATOM 1862 CA LEU A 121 -7.576 2.700 6.592 1.00 0.00 C ATOM 1863 C LEU A 121 -8.490 3.555 7.464 1.00 0.00 C ATOM 1864 O LEU A 121 -8.025 4.300 8.327 1.00 0.00 O ATOM 1865 CB LEU A 121 -7.599 3.215 5.152 1.00 0.00 C ATOM 1866 CG LEU A 121 -6.302 3.049 4.359 1.00 0.00 C ATOM 1867 CD1 LEU A 121 -6.595 2.948 2.870 1.00 0.00 C ATOM 1868 CD2 LEU A 121 -5.353 4.204 4.640 1.00 0.00 C ATOM 0 H LEU A 121 -8.353 0.941 5.754 1.00 0.00 H new ATOM 0 HA LEU A 121 -6.561 2.772 6.982 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -8.397 2.701 4.616 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -7.857 4.274 5.170 1.00 0.00 H new ATOM 0 HG LEU A 121 -5.821 2.124 4.677 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -5.660 2.830 2.322 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -7.236 2.086 2.683 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -7.099 3.855 2.536 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -4.436 4.069 4.067 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -5.826 5.142 4.351 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -5.116 4.230 5.704 1.00 0.00 H new ATOM 1880 N LYS A 122 -9.794 3.440 7.235 1.00 0.00 N ATOM 1881 CA LYS A 122 -10.775 4.199 8.002 1.00 0.00 C ATOM 1882 C LYS A 122 -10.584 3.980 9.499 1.00 0.00 C ATOM 1883 O LYS A 122 -10.761 4.899 10.299 1.00 0.00 O ATOM 1884 CB LYS A 122 -12.194 3.797 7.594 1.00 0.00 C ATOM 1885 CG LYS A 122 -13.209 4.917 7.736 1.00 0.00 C ATOM 1886 CD LYS A 122 -14.633 4.396 7.640 1.00 0.00 C ATOM 1887 CE LYS A 122 -15.638 5.423 8.139 1.00 0.00 C ATOM 1888 NZ LYS A 122 -15.447 5.729 9.584 1.00 0.00 N ATOM 0 H LYS A 122 -10.196 2.828 6.524 1.00 0.00 H new ATOM 0 HA LYS A 122 -10.627 5.257 7.786 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -12.183 3.458 6.558 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -12.512 2.951 8.203 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -13.068 5.418 8.694 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -13.040 5.662 6.959 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -14.858 4.138 6.605 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -14.727 3.480 8.224 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -15.540 6.340 7.558 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -16.649 5.050 7.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -16.334 6.100 9.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -15.178 4.861 10.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -14.695 6.440 9.692 1.00 0.00 H new ATOM 1902 N HIS A 123 -10.219 2.757 9.872 1.00 0.00 N ATOM 1903 CA HIS A 123 -10.001 2.418 11.273 1.00 0.00 C ATOM 1904 C HIS A 123 -8.652 2.941 11.756 1.00 0.00 C ATOM 1905 O HIS A 123 -8.584 3.778 12.656 1.00 0.00 O ATOM 1906 CB HIS A 123 -10.075 0.904 11.471 1.00 0.00 C ATOM 1907 CG HIS A 123 -11.454 0.406 11.779 1.00 0.00 C ATOM 1908 ND1 HIS A 123 -12.064 0.589 13.002 1.00 0.00 N ATOM 1909 CD2 HIS A 123 -12.342 -0.270 11.014 1.00 0.00 C ATOM 1910 CE1 HIS A 123 -13.268 0.045 12.976 1.00 0.00 C ATOM 1911 NE2 HIS A 123 -13.461 -0.482 11.781 1.00 0.00 N ATOM 0 H HIS A 123 -10.068 1.985 9.223 1.00 0.00 H new ATOM 0 HA HIS A 123 -10.786 2.893 11.862 1.00 0.00 H new ATOM 0 HB2 HIS A 123 -9.712 0.410 10.570 1.00 0.00 H new ATOM 0 HB3 HIS A 123 -9.405 0.619 12.282 1.00 0.00 H new ATOM 0 HD2 HIS A 123 -12.198 -0.584 9.991 1.00 0.00 H new ATOM 0 HE1 HIS A 123 -13.974 0.033 13.793 1.00 0.00 H new ATOM 0 HE2 HIS A 123 -14.305 -0.968 11.477 1.00 0.00 H new ATOM 1920 N HIS A 124 -7.579 2.442 11.150 1.00 0.00 N ATOM 1921 CA HIS A 124 -6.230 2.858 11.518 1.00 0.00 C ATOM 1922 C HIS A 124 -6.118 4.380 11.536 1.00 0.00 C ATOM 1923 O HIS A 124 -5.723 4.971 12.541 1.00 0.00 O ATOM 1924 CB HIS A 124 -5.208 2.271 10.544 1.00 0.00 C ATOM 1925 CG HIS A 124 -4.820 0.860 10.862 1.00 0.00 C ATOM 1926 ND1 HIS A 124 -3.509 0.444 10.961 1.00 0.00 N ATOM 1927 CD2 HIS A 124 -5.580 -0.234 11.104 1.00 0.00 C ATOM 1928 CE1 HIS A 124 -3.479 -0.844 11.249 1.00 0.00 C ATOM 1929 NE2 HIS A 124 -4.723 -1.280 11.342 1.00 0.00 N ATOM 0 H HIS A 124 -7.617 1.749 10.402 1.00 0.00 H new ATOM 0 HA HIS A 124 -6.021 2.483 12.520 1.00 0.00 H new ATOM 0 HB2 HIS A 124 -5.618 2.308 9.535 1.00 0.00 H new ATOM 0 HB3 HIS A 124 -4.314 2.895 10.548 1.00 0.00 H new ATOM 0 HD2 HIS A 124 -6.659 -0.276 11.109 1.00 0.00 H new ATOM 0 HE1 HIS A 124 -2.589 -1.440 11.385 1.00 0.00 H new ATOM 0 HE2 HIS A 124 -5.001 -2.238 11.556 1.00 0.00 H new