USER MOD reduce.3.24.130724 H: found=0, std=0, add=792, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 794 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 113 ASN : amide:sc= -1.02 K(o=-1,f=-2.6!) USER MOD Set 1.2: A 114 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 67 CYS SG : rot 140:sc= 0.456 USER MOD Set 2.2: A 83 THR OG1 : rot 129:sc= 1.14 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 LYS NZ :NH3+ -156:sc= -0.0532 (180deg=-1.18!) USER MOD Single : A 27 ASN :FLIP amide:sc= -1.64 F(o=-8.4!,f=-1.6) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= -1.33 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 HIS :FLIP no HD1:sc= -0.0205 F(o=-0.65,f=-0.021) USER MOD Single : A 44 THR OG1 : rot 40:sc= 0.279 USER MOD Single : A 46 GLN : amide:sc= 0 K(o=0,f=-0.93) USER MOD Single : A 55 HIS :FLIP no HE2:sc= -1.37 F(o=-3.9!,f=-1.4) USER MOD Single : A 57 ASN :FLIP amide:sc= -1.96 F(o=-3.6!,f=-2) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 HIS :FLIP no HE2:sc= -1.5 F(o=-2.6!,f=-1.5) USER MOD Single : A 95 CYS SG : rot 180:sc= -0.969 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 MET CE :methyl 159:sc= -1.31 (180deg=-1.79) USER MOD Single : A 115 THR OG1 : rot 6:sc= 0.527 USER MOD ----------------------------------------------------------------- ATOM 66 N LEU A 8 -0.441 6.335 8.968 1.00 0.00 N ATOM 67 CA LEU A 8 -0.912 5.021 8.543 1.00 0.00 C ATOM 68 C LEU A 8 -2.096 5.149 7.591 1.00 0.00 C ATOM 69 O LEU A 8 -2.941 6.030 7.748 1.00 0.00 O ATOM 70 CB LEU A 8 -1.309 4.182 9.759 1.00 0.00 C ATOM 71 CG LEU A 8 -2.062 2.885 9.463 1.00 0.00 C ATOM 72 CD1 LEU A 8 -1.088 1.768 9.121 1.00 0.00 C ATOM 73 CD2 LEU A 8 -2.933 2.491 10.647 1.00 0.00 C ATOM 0 HA LEU A 8 -0.098 4.523 8.016 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -0.405 3.935 10.315 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -1.928 4.797 10.413 1.00 0.00 H new ATOM 0 HG LEU A 8 -2.709 3.052 8.602 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -1.642 0.853 8.913 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -0.507 2.048 8.242 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -0.415 1.602 9.962 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -3.461 1.566 10.418 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -2.306 2.343 11.526 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -3.656 3.282 10.846 1.00 0.00 H new ATOM 85 N VAL A 9 -2.152 4.261 6.603 1.00 0.00 N ATOM 86 CA VAL A 9 -3.235 4.272 5.626 1.00 0.00 C ATOM 87 C VAL A 9 -4.247 3.169 5.915 1.00 0.00 C ATOM 88 O VAL A 9 -5.434 3.436 6.105 1.00 0.00 O ATOM 89 CB VAL A 9 -2.699 4.099 4.192 1.00 0.00 C ATOM 90 CG1 VAL A 9 -3.846 3.893 3.215 1.00 0.00 C ATOM 91 CG2 VAL A 9 -1.854 5.298 3.791 1.00 0.00 C ATOM 0 H VAL A 9 -1.461 3.525 6.458 1.00 0.00 H new ATOM 0 HA VAL A 9 -3.726 5.242 5.708 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.066 3.212 4.163 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.448 3.773 2.207 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -4.405 3.000 3.494 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.508 4.759 3.243 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -1.484 5.159 2.775 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -2.461 6.202 3.835 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -1.011 5.394 4.475 1.00 0.00 H new ATOM 101 N ARG A 10 -3.770 1.929 5.948 1.00 0.00 N ATOM 102 CA ARG A 10 -4.634 0.785 6.214 1.00 0.00 C ATOM 103 C ARG A 10 -3.928 -0.233 7.104 1.00 0.00 C ATOM 104 O ARG A 10 -2.700 -0.298 7.138 1.00 0.00 O ATOM 105 CB ARG A 10 -5.058 0.124 4.901 1.00 0.00 C ATOM 106 CG ARG A 10 -6.189 -0.879 5.063 1.00 0.00 C ATOM 107 CD ARG A 10 -6.532 -1.548 3.741 1.00 0.00 C ATOM 108 NE ARG A 10 -7.813 -2.248 3.798 1.00 0.00 N ATOM 109 CZ ARG A 10 -8.984 -1.654 3.597 1.00 0.00 C ATOM 110 NH1 ARG A 10 -9.036 -0.357 3.327 1.00 0.00 N ATOM 111 NH2 ARG A 10 -10.107 -2.358 3.666 1.00 0.00 N ATOM 0 H ARG A 10 -2.790 1.691 5.794 1.00 0.00 H new ATOM 0 HA ARG A 10 -5.521 1.144 6.735 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -5.367 0.897 4.198 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -4.197 -0.380 4.463 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -5.903 -1.637 5.793 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -7.071 -0.374 5.457 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -6.564 -0.797 2.952 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -5.745 -2.254 3.477 1.00 0.00 H new ATOM 0 HE ARG A 10 -7.808 -3.247 4.003 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -8.175 0.188 3.273 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -9.937 0.096 3.173 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -10.071 -3.356 3.874 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -11.006 -1.901 3.512 1.00 0.00 H new ATOM 125 N GLY A 11 -4.714 -1.028 7.825 1.00 0.00 N ATOM 126 CA GLY A 11 -4.147 -2.032 8.706 1.00 0.00 C ATOM 127 C GLY A 11 -5.041 -3.247 8.850 1.00 0.00 C ATOM 128 O GLY A 11 -5.798 -3.359 9.814 1.00 0.00 O ATOM 0 H GLY A 11 -5.733 -0.994 7.814 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -3.176 -2.343 8.321 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -3.974 -1.593 9.689 1.00 0.00 H new ATOM 132 N GLY A 12 -4.956 -4.161 7.888 1.00 0.00 N ATOM 133 CA GLY A 12 -5.770 -5.362 7.931 1.00 0.00 C ATOM 134 C GLY A 12 -4.939 -6.628 7.879 1.00 0.00 C ATOM 135 O GLY A 12 -3.785 -6.604 7.451 1.00 0.00 O ATOM 0 H GLY A 12 -4.338 -4.091 7.080 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -6.367 -5.360 8.843 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -6.468 -5.354 7.094 1.00 0.00 H new ATOM 139 N TRP A 13 -5.525 -7.736 8.317 1.00 0.00 N ATOM 140 CA TRP A 13 -4.830 -9.019 8.320 1.00 0.00 C ATOM 141 C TRP A 13 -4.969 -9.717 6.972 1.00 0.00 C ATOM 142 O TRP A 13 -6.064 -9.795 6.412 1.00 0.00 O ATOM 143 CB TRP A 13 -5.376 -9.916 9.432 1.00 0.00 C ATOM 144 CG TRP A 13 -4.793 -9.613 10.779 1.00 0.00 C ATOM 145 CD1 TRP A 13 -5.234 -8.678 11.672 1.00 0.00 C ATOM 146 CD2 TRP A 13 -3.660 -10.246 11.385 1.00 0.00 C ATOM 147 NE1 TRP A 13 -4.444 -8.692 12.796 1.00 0.00 N ATOM 148 CE2 TRP A 13 -3.472 -9.646 12.645 1.00 0.00 C ATOM 149 CE3 TRP A 13 -2.789 -11.263 10.986 1.00 0.00 C ATOM 150 CZ2 TRP A 13 -2.447 -10.030 13.506 1.00 0.00 C ATOM 151 CZ3 TRP A 13 -1.772 -11.643 11.842 1.00 0.00 C ATOM 152 CH2 TRP A 13 -1.609 -11.028 13.090 1.00 0.00 C ATOM 0 H TRP A 13 -6.480 -7.773 8.675 1.00 0.00 H new ATOM 0 HA TRP A 13 -3.772 -8.830 8.502 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -6.459 -9.805 9.480 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -5.173 -10.957 9.182 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -6.079 -8.024 11.517 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -4.562 -8.090 13.611 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -2.908 -11.744 10.026 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -2.318 -9.557 14.468 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -1.092 -12.427 11.544 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -0.806 -11.348 13.737 1.00 0.00 H new ATOM 163 N LEU A 14 -3.855 -10.224 6.455 1.00 0.00 N ATOM 164 CA LEU A 14 -3.854 -10.917 5.171 1.00 0.00 C ATOM 165 C LEU A 14 -3.003 -12.181 5.235 1.00 0.00 C ATOM 166 O LEU A 14 -1.980 -12.217 5.919 1.00 0.00 O ATOM 167 CB LEU A 14 -3.332 -9.992 4.070 1.00 0.00 C ATOM 168 CG LEU A 14 -4.324 -8.959 3.535 1.00 0.00 C ATOM 169 CD1 LEU A 14 -3.701 -8.156 2.404 1.00 0.00 C ATOM 170 CD2 LEU A 14 -5.602 -9.640 3.066 1.00 0.00 C ATOM 0 H LEU A 14 -2.941 -10.168 6.905 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.880 -11.203 4.940 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.458 -9.464 4.451 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.994 -10.607 3.236 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.576 -8.273 4.344 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.422 -7.426 2.036 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.815 -7.638 2.771 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.419 -8.828 1.593 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.297 -8.890 2.688 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.366 -10.349 2.272 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -6.059 -10.170 3.901 1.00 0.00 H new ATOM 182 N TRP A 15 -3.430 -13.213 4.517 1.00 0.00 N ATOM 183 CA TRP A 15 -2.705 -14.478 4.491 1.00 0.00 C ATOM 184 C TRP A 15 -1.547 -14.421 3.502 1.00 0.00 C ATOM 185 O TRP A 15 -1.740 -14.131 2.321 1.00 0.00 O ATOM 186 CB TRP A 15 -3.650 -15.623 4.124 1.00 0.00 C ATOM 187 CG TRP A 15 -4.690 -15.893 5.169 1.00 0.00 C ATOM 188 CD1 TRP A 15 -5.979 -15.443 5.178 1.00 0.00 C ATOM 189 CD2 TRP A 15 -4.528 -16.674 6.358 1.00 0.00 C ATOM 190 NE1 TRP A 15 -6.628 -15.897 6.300 1.00 0.00 N ATOM 191 CE2 TRP A 15 -5.760 -16.655 7.040 1.00 0.00 C ATOM 192 CE3 TRP A 15 -3.463 -17.390 6.911 1.00 0.00 C ATOM 193 CZ2 TRP A 15 -5.953 -17.323 8.247 1.00 0.00 C ATOM 194 CZ3 TRP A 15 -3.656 -18.052 8.109 1.00 0.00 C ATOM 195 CH2 TRP A 15 -4.893 -18.015 8.766 1.00 0.00 C ATOM 0 H TRP A 15 -4.274 -13.199 3.945 1.00 0.00 H new ATOM 0 HA TRP A 15 -2.299 -14.656 5.487 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -4.145 -15.388 3.181 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -3.066 -16.529 3.961 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -6.423 -14.821 4.415 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -7.599 -15.701 6.543 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -2.506 -17.426 6.411 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -6.906 -17.296 8.755 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -2.839 -18.607 8.546 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -5.012 -18.543 9.701 1.00 0.00 H new ATOM 206 N ARG A 16 -0.343 -14.701 3.990 1.00 0.00 N ATOM 207 CA ARG A 16 0.847 -14.680 3.148 1.00 0.00 C ATOM 208 C ARG A 16 1.394 -16.090 2.945 1.00 0.00 C ATOM 209 O ARG A 16 1.197 -16.969 3.785 1.00 0.00 O ATOM 210 CB ARG A 16 1.923 -13.789 3.770 1.00 0.00 C ATOM 211 CG ARG A 16 3.260 -13.854 3.050 1.00 0.00 C ATOM 212 CD ARG A 16 4.236 -12.822 3.592 1.00 0.00 C ATOM 213 NE ARG A 16 4.934 -13.300 4.783 1.00 0.00 N ATOM 214 CZ ARG A 16 5.995 -14.098 4.742 1.00 0.00 C ATOM 215 NH1 ARG A 16 6.480 -14.503 3.576 1.00 0.00 N ATOM 216 NH2 ARG A 16 6.575 -14.490 5.869 1.00 0.00 N ATOM 0 H ARG A 16 -0.166 -14.945 4.964 1.00 0.00 H new ATOM 0 HA ARG A 16 0.566 -14.274 2.176 1.00 0.00 H new ATOM 0 HB2 ARG A 16 1.571 -12.757 3.773 1.00 0.00 H new ATOM 0 HB3 ARG A 16 2.066 -14.080 4.811 1.00 0.00 H new ATOM 0 HG2 ARG A 16 3.685 -14.852 3.160 1.00 0.00 H new ATOM 0 HG3 ARG A 16 3.108 -13.688 1.983 1.00 0.00 H new ATOM 0 HD2 ARG A 16 4.965 -12.572 2.821 1.00 0.00 H new ATOM 0 HD3 ARG A 16 3.698 -11.905 3.831 1.00 0.00 H new ATOM 0 HE ARG A 16 4.588 -13.005 5.696 1.00 0.00 H new ATOM 0 HH11 ARG A 16 6.038 -14.202 2.707 1.00 0.00 H new ATOM 0 HH12 ARG A 16 7.295 -15.116 3.548 1.00 0.00 H new ATOM 0 HH21 ARG A 16 6.206 -14.179 6.768 1.00 0.00 H new ATOM 0 HH22 ARG A 16 7.390 -15.103 5.837 1.00 0.00 H new ATOM 230 N GLN A 17 2.080 -16.298 1.826 1.00 0.00 N ATOM 231 CA GLN A 17 2.654 -17.601 1.513 1.00 0.00 C ATOM 232 C GLN A 17 4.175 -17.566 1.620 1.00 0.00 C ATOM 233 O GLN A 17 4.813 -16.590 1.225 1.00 0.00 O ATOM 234 CB GLN A 17 2.240 -18.041 0.108 1.00 0.00 C ATOM 235 CG GLN A 17 2.203 -19.550 -0.072 1.00 0.00 C ATOM 236 CD GLN A 17 1.784 -19.961 -1.469 1.00 0.00 C ATOM 237 OE1 GLN A 17 2.383 -19.540 -2.459 1.00 0.00 O ATOM 238 NE2 GLN A 17 0.749 -20.789 -1.557 1.00 0.00 N ATOM 0 H GLN A 17 2.252 -15.581 1.121 1.00 0.00 H new ATOM 0 HA GLN A 17 2.273 -18.320 2.238 1.00 0.00 H new ATOM 0 HB2 GLN A 17 1.254 -17.633 -0.116 1.00 0.00 H new ATOM 0 HB3 GLN A 17 2.934 -17.614 -0.616 1.00 0.00 H new ATOM 0 HG2 GLN A 17 3.189 -19.962 0.143 1.00 0.00 H new ATOM 0 HG3 GLN A 17 1.512 -19.982 0.652 1.00 0.00 H new ATOM 0 HE21 GLN A 17 0.282 -21.113 -0.710 1.00 0.00 H new ATOM 0 HE22 GLN A 17 0.421 -21.101 -2.471 1.00 0.00 H new ATOM 331 N ARG A 23 3.479 -22.889 3.072 1.00 0.00 N ATOM 332 CA ARG A 23 2.226 -22.854 3.816 1.00 0.00 C ATOM 333 C ARG A 23 1.797 -21.416 4.091 1.00 0.00 C ATOM 334 O ARG A 23 2.634 -20.521 4.214 1.00 0.00 O ATOM 335 CB ARG A 23 2.369 -23.616 5.135 1.00 0.00 C ATOM 336 CG ARG A 23 2.093 -25.105 5.011 1.00 0.00 C ATOM 337 CD ARG A 23 2.493 -25.853 6.273 1.00 0.00 C ATOM 338 NE ARG A 23 1.463 -25.772 7.306 1.00 0.00 N ATOM 339 CZ ARG A 23 1.361 -24.763 8.164 1.00 0.00 C ATOM 340 NH1 ARG A 23 2.221 -23.755 8.113 1.00 0.00 N ATOM 341 NH2 ARG A 23 0.397 -24.761 9.076 1.00 0.00 N ATOM 0 HA ARG A 23 1.459 -23.334 3.209 1.00 0.00 H new ATOM 0 HB2 ARG A 23 3.379 -23.473 5.520 1.00 0.00 H new ATOM 0 HB3 ARG A 23 1.685 -23.188 5.868 1.00 0.00 H new ATOM 0 HG2 ARG A 23 1.033 -25.264 4.813 1.00 0.00 H new ATOM 0 HG3 ARG A 23 2.641 -25.508 4.159 1.00 0.00 H new ATOM 0 HD2 ARG A 23 2.682 -26.899 6.030 1.00 0.00 H new ATOM 0 HD3 ARG A 23 3.426 -25.442 6.658 1.00 0.00 H new ATOM 0 HE ARG A 23 0.785 -26.532 7.372 1.00 0.00 H new ATOM 0 HH11 ARG A 23 2.963 -23.753 7.414 1.00 0.00 H new ATOM 0 HH12 ARG A 23 2.140 -22.982 8.773 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -0.266 -25.535 9.119 1.00 0.00 H new ATOM 0 HH22 ARG A 23 0.319 -23.986 9.734 1.00 0.00 H new ATOM 355 N TRP A 24 0.490 -21.202 4.185 1.00 0.00 N ATOM 356 CA TRP A 24 -0.050 -19.872 4.445 1.00 0.00 C ATOM 357 C TRP A 24 0.118 -19.494 5.913 1.00 0.00 C ATOM 358 O TRP A 24 0.326 -20.356 6.767 1.00 0.00 O ATOM 359 CB TRP A 24 -1.528 -19.814 4.057 1.00 0.00 C ATOM 360 CG TRP A 24 -1.757 -19.888 2.577 1.00 0.00 C ATOM 361 CD1 TRP A 24 -2.057 -21.003 1.849 1.00 0.00 C ATOM 362 CD2 TRP A 24 -1.702 -18.801 1.646 1.00 0.00 C ATOM 363 NE1 TRP A 24 -2.192 -20.676 0.521 1.00 0.00 N ATOM 364 CE2 TRP A 24 -1.980 -19.331 0.371 1.00 0.00 C ATOM 365 CE3 TRP A 24 -1.447 -17.432 1.766 1.00 0.00 C ATOM 366 CZ2 TRP A 24 -2.008 -18.539 -0.774 1.00 0.00 C ATOM 367 CZ3 TRP A 24 -1.476 -16.648 0.629 1.00 0.00 C ATOM 368 CH2 TRP A 24 -1.755 -17.202 -0.627 1.00 0.00 C ATOM 0 H TRP A 24 -0.216 -21.932 4.085 1.00 0.00 H new ATOM 0 HA TRP A 24 0.506 -19.157 3.839 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -2.056 -20.636 4.541 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -1.960 -18.889 4.439 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -2.171 -21.996 2.257 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -2.414 -21.329 -0.231 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -1.231 -16.995 2.730 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -2.222 -18.965 -1.743 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -1.280 -15.589 0.710 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -1.771 -16.562 -1.496 1.00 0.00 H new ATOM 379 N LYS A 25 0.026 -18.200 6.200 1.00 0.00 N ATOM 380 CA LYS A 25 0.166 -17.706 7.565 1.00 0.00 C ATOM 381 C LYS A 25 -0.499 -16.343 7.722 1.00 0.00 C ATOM 382 O LYS A 25 -0.725 -15.635 6.740 1.00 0.00 O ATOM 383 CB LYS A 25 1.645 -17.611 7.945 1.00 0.00 C ATOM 384 CG LYS A 25 2.423 -16.606 7.114 1.00 0.00 C ATOM 385 CD LYS A 25 2.411 -15.227 7.751 1.00 0.00 C ATOM 386 CE LYS A 25 3.421 -15.127 8.884 1.00 0.00 C ATOM 387 NZ LYS A 25 2.835 -15.543 10.188 1.00 0.00 N ATOM 0 H LYS A 25 -0.145 -17.474 5.505 1.00 0.00 H new ATOM 0 HA LYS A 25 -0.330 -18.411 8.232 1.00 0.00 H new ATOM 0 HB2 LYS A 25 1.724 -17.339 8.997 1.00 0.00 H new ATOM 0 HB3 LYS A 25 2.104 -18.594 7.835 1.00 0.00 H new ATOM 0 HG2 LYS A 25 3.452 -16.946 7.000 1.00 0.00 H new ATOM 0 HG3 LYS A 25 1.993 -16.549 6.114 1.00 0.00 H new ATOM 0 HD2 LYS A 25 2.635 -14.474 6.995 1.00 0.00 H new ATOM 0 HD3 LYS A 25 1.413 -15.010 8.132 1.00 0.00 H new ATOM 0 HE2 LYS A 25 4.284 -15.753 8.657 1.00 0.00 H new ATOM 0 HE3 LYS A 25 3.782 -14.101 8.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 3.367 -15.100 10.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 1.840 -15.242 10.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 2.888 -16.578 10.278 1.00 0.00 H new ATOM 401 N ARG A 26 -0.809 -15.980 8.962 1.00 0.00 N ATOM 402 CA ARG A 26 -1.448 -14.700 9.247 1.00 0.00 C ATOM 403 C ARG A 26 -0.405 -13.619 9.514 1.00 0.00 C ATOM 404 O ARG A 26 0.607 -13.868 10.167 1.00 0.00 O ATOM 405 CB ARG A 26 -2.383 -14.830 10.450 1.00 0.00 C ATOM 406 CG ARG A 26 -3.775 -15.322 10.090 1.00 0.00 C ATOM 407 CD ARG A 26 -4.428 -16.049 11.255 1.00 0.00 C ATOM 408 NE ARG A 26 -4.890 -15.124 12.287 1.00 0.00 N ATOM 409 CZ ARG A 26 -5.538 -15.509 13.381 1.00 0.00 C ATOM 410 NH1 ARG A 26 -5.798 -16.793 13.585 1.00 0.00 N ATOM 411 NH2 ARG A 26 -5.926 -14.607 14.275 1.00 0.00 N ATOM 0 H ARG A 26 -0.628 -16.554 9.786 1.00 0.00 H new ATOM 0 HA ARG A 26 -2.030 -14.410 8.372 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -1.940 -15.516 11.171 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -2.465 -13.861 10.942 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -4.396 -14.476 9.794 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -3.715 -15.990 9.231 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -5.271 -16.635 10.890 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -3.716 -16.751 11.689 1.00 0.00 H new ATOM 0 HE ARG A 26 -4.705 -14.129 12.161 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -5.500 -17.489 12.901 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -6.296 -17.085 14.426 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -5.727 -13.619 14.122 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -6.424 -14.903 15.115 1.00 0.00 H new ATOM 425 N ASN A 27 -0.660 -12.419 9.002 1.00 0.00 N ATOM 426 CA ASN A 27 0.258 -11.300 9.185 1.00 0.00 C ATOM 427 C ASN A 27 -0.482 -9.969 9.091 1.00 0.00 C ATOM 428 O ASN A 27 -1.474 -9.848 8.373 1.00 0.00 O ATOM 429 CB ASN A 27 1.372 -11.352 8.137 1.00 0.00 C ATOM 430 CG ASN A 27 2.663 -10.732 8.636 1.00 0.00 C ATOM 431 OD1 ASN A 27 2.619 -9.442 8.947 1.00 0.00 O flip ATOM 432 ND2 ASN A 27 3.688 -11.406 8.741 1.00 0.00 N flip ATOM 0 H ASN A 27 -1.494 -12.197 8.458 1.00 0.00 H new ATOM 0 HA ASN A 27 0.698 -11.381 10.179 1.00 0.00 H new ATOM 0 HB2 ASN A 27 1.555 -12.389 7.856 1.00 0.00 H new ATOM 0 HB3 ASN A 27 1.046 -10.831 7.237 1.00 0.00 H new ATOM 0 HD21 ASN A 27 3.676 -12.395 8.490 1.00 0.00 H new ATOM 0 HD22 ASN A 27 4.549 -10.976 9.079 1.00 0.00 H new ATOM 439 N TRP A 28 0.008 -8.974 9.822 1.00 0.00 N ATOM 440 CA TRP A 28 -0.606 -7.652 9.821 1.00 0.00 C ATOM 441 C TRP A 28 0.126 -6.712 8.870 1.00 0.00 C ATOM 442 O TRP A 28 1.229 -6.252 9.164 1.00 0.00 O ATOM 443 CB TRP A 28 -0.609 -7.067 11.235 1.00 0.00 C ATOM 444 CG TRP A 28 -1.295 -5.738 11.327 1.00 0.00 C ATOM 445 CD1 TRP A 28 -2.598 -5.465 11.020 1.00 0.00 C ATOM 446 CD2 TRP A 28 -0.714 -4.501 11.752 1.00 0.00 C ATOM 447 NE1 TRP A 28 -2.861 -4.133 11.229 1.00 0.00 N ATOM 448 CE2 TRP A 28 -1.722 -3.520 11.679 1.00 0.00 C ATOM 449 CE3 TRP A 28 0.559 -4.126 12.189 1.00 0.00 C ATOM 450 CZ2 TRP A 28 -1.494 -2.191 12.026 1.00 0.00 C ATOM 451 CZ3 TRP A 28 0.785 -2.807 12.533 1.00 0.00 C ATOM 452 CH2 TRP A 28 -0.238 -1.852 12.451 1.00 0.00 C ATOM 0 H TRP A 28 0.828 -9.058 10.422 1.00 0.00 H new ATOM 0 HA TRP A 28 -1.635 -7.757 9.477 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -1.100 -7.769 11.910 1.00 0.00 H new ATOM 0 HB3 TRP A 28 0.420 -6.961 11.579 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -3.316 -6.190 10.665 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -3.759 -3.675 11.074 1.00 0.00 H new ATOM 0 HE3 TRP A 28 1.353 -4.855 12.257 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -2.281 -1.454 11.962 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 1.766 -2.507 12.871 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -0.031 -0.829 12.729 1.00 0.00 H new ATOM 463 N PHE A 29 -0.494 -6.430 7.729 1.00 0.00 N ATOM 464 CA PHE A 29 0.100 -5.545 6.734 1.00 0.00 C ATOM 465 C PHE A 29 -0.392 -4.112 6.918 1.00 0.00 C ATOM 466 O PHE A 29 -1.595 -3.859 6.971 1.00 0.00 O ATOM 467 CB PHE A 29 -0.233 -6.033 5.323 1.00 0.00 C ATOM 468 CG PHE A 29 0.631 -7.173 4.863 1.00 0.00 C ATOM 469 CD1 PHE A 29 0.387 -8.464 5.301 1.00 0.00 C ATOM 470 CD2 PHE A 29 1.688 -6.952 3.994 1.00 0.00 C ATOM 471 CE1 PHE A 29 1.180 -9.515 4.880 1.00 0.00 C ATOM 472 CE2 PHE A 29 2.484 -7.999 3.570 1.00 0.00 C ATOM 473 CZ PHE A 29 2.230 -9.282 4.014 1.00 0.00 C ATOM 0 H PHE A 29 -1.408 -6.802 7.470 1.00 0.00 H new ATOM 0 HA PHE A 29 1.181 -5.560 6.870 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -1.277 -6.344 5.292 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -0.126 -5.202 4.625 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -0.432 -8.652 5.979 1.00 0.00 H new ATOM 0 HD2 PHE A 29 1.892 -5.951 3.644 1.00 0.00 H new ATOM 0 HE1 PHE A 29 0.979 -10.517 5.228 1.00 0.00 H new ATOM 0 HE2 PHE A 29 3.304 -7.814 2.892 1.00 0.00 H new ATOM 0 HZ PHE A 29 2.851 -10.101 3.684 1.00 0.00 H new ATOM 483 N ALA A 30 0.549 -3.178 7.016 1.00 0.00 N ATOM 484 CA ALA A 30 0.212 -1.771 7.192 1.00 0.00 C ATOM 485 C ALA A 30 0.953 -0.899 6.184 1.00 0.00 C ATOM 486 O ALA A 30 2.100 -1.177 5.831 1.00 0.00 O ATOM 487 CB ALA A 30 0.531 -1.326 8.612 1.00 0.00 C ATOM 0 H ALA A 30 1.550 -3.371 6.976 1.00 0.00 H new ATOM 0 HA ALA A 30 -0.858 -1.654 7.017 1.00 0.00 H new ATOM 0 HB1 ALA A 30 0.274 -0.273 8.730 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -0.047 -1.922 9.318 1.00 0.00 H new ATOM 0 HB3 ALA A 30 1.595 -1.464 8.806 1.00 0.00 H new ATOM 493 N LEU A 31 0.291 0.157 5.723 1.00 0.00 N ATOM 494 CA LEU A 31 0.886 1.070 4.754 1.00 0.00 C ATOM 495 C LEU A 31 1.201 2.417 5.397 1.00 0.00 C ATOM 496 O LEU A 31 0.394 2.959 6.153 1.00 0.00 O ATOM 497 CB LEU A 31 -0.055 1.268 3.565 1.00 0.00 C ATOM 498 CG LEU A 31 0.335 2.365 2.574 1.00 0.00 C ATOM 499 CD1 LEU A 31 1.543 1.938 1.754 1.00 0.00 C ATOM 500 CD2 LEU A 31 -0.836 2.704 1.665 1.00 0.00 C ATOM 0 H LEU A 31 -0.658 0.402 6.005 1.00 0.00 H new ATOM 0 HA LEU A 31 1.819 0.629 4.402 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.126 0.325 3.023 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.051 1.490 3.949 1.00 0.00 H new ATOM 0 HG LEU A 31 0.601 3.259 3.138 1.00 0.00 H new ATOM 0 HD11 LEU A 31 1.806 2.731 1.054 1.00 0.00 H new ATOM 0 HD12 LEU A 31 2.385 1.747 2.419 1.00 0.00 H new ATOM 0 HD13 LEU A 31 1.304 1.030 1.200 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.540 3.487 0.967 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.134 1.815 1.109 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.675 3.054 2.267 1.00 0.00 H new ATOM 512 N TRP A 32 2.377 2.952 5.091 1.00 0.00 N ATOM 513 CA TRP A 32 2.797 4.237 5.637 1.00 0.00 C ATOM 514 C TRP A 32 2.758 5.323 4.567 1.00 0.00 C ATOM 515 O TRP A 32 3.022 5.061 3.393 1.00 0.00 O ATOM 516 CB TRP A 32 4.207 4.130 6.222 1.00 0.00 C ATOM 517 CG TRP A 32 4.352 3.023 7.222 1.00 0.00 C ATOM 518 CD1 TRP A 32 5.143 1.916 7.109 1.00 0.00 C ATOM 519 CD2 TRP A 32 3.687 2.917 8.485 1.00 0.00 C ATOM 520 NE1 TRP A 32 5.010 1.127 8.226 1.00 0.00 N ATOM 521 CE2 TRP A 32 4.123 1.720 9.086 1.00 0.00 C ATOM 522 CE3 TRP A 32 2.767 3.717 9.168 1.00 0.00 C ATOM 523 CZ2 TRP A 32 3.669 1.306 10.335 1.00 0.00 C ATOM 524 CZ3 TRP A 32 2.317 3.304 10.408 1.00 0.00 C ATOM 525 CH2 TRP A 32 2.768 2.108 10.981 1.00 0.00 C ATOM 0 H TRP A 32 3.057 2.516 4.468 1.00 0.00 H new ATOM 0 HA TRP A 32 2.102 4.511 6.431 1.00 0.00 H new ATOM 0 HB2 TRP A 32 4.918 3.973 5.411 1.00 0.00 H new ATOM 0 HB3 TRP A 32 4.469 5.076 6.697 1.00 0.00 H new ATOM 0 HD1 TRP A 32 5.780 1.693 6.266 1.00 0.00 H new ATOM 0 HE1 TRP A 32 5.493 0.243 8.389 1.00 0.00 H new ATOM 0 HE3 TRP A 32 2.414 4.641 8.735 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 4.016 0.384 10.779 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 1.605 3.914 10.944 1.00 0.00 H new ATOM 0 HH2 TRP A 32 2.397 1.813 11.952 1.00 0.00 H new ATOM 536 N LEU A 33 2.429 6.542 4.979 1.00 0.00 N ATOM 537 CA LEU A 33 2.356 7.668 4.055 1.00 0.00 C ATOM 538 C LEU A 33 3.705 7.911 3.385 1.00 0.00 C ATOM 539 O LEU A 33 3.769 8.387 2.252 1.00 0.00 O ATOM 540 CB LEU A 33 1.905 8.931 4.793 1.00 0.00 C ATOM 541 CG LEU A 33 0.508 8.883 5.413 1.00 0.00 C ATOM 542 CD1 LEU A 33 -0.136 10.260 5.383 1.00 0.00 C ATOM 543 CD2 LEU A 33 -0.363 7.869 4.686 1.00 0.00 C ATOM 0 H LEU A 33 2.209 6.776 5.947 1.00 0.00 H new ATOM 0 HA LEU A 33 1.626 7.426 3.283 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.625 9.142 5.584 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.943 9.768 4.096 1.00 0.00 H new ATOM 0 HG LEU A 33 0.603 8.571 6.453 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.130 10.207 5.828 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.478 10.961 5.948 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.219 10.601 4.351 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.354 7.848 5.140 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.451 8.151 3.637 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.091 6.881 4.759 1.00 0.00 H new ATOM 555 N ASP A 34 4.779 7.579 4.092 1.00 0.00 N ATOM 556 CA ASP A 34 6.127 7.757 3.565 1.00 0.00 C ATOM 557 C ASP A 34 6.288 7.037 2.231 1.00 0.00 C ATOM 558 O ASP A 34 7.233 7.293 1.485 1.00 0.00 O ATOM 559 CB ASP A 34 7.161 7.241 4.566 1.00 0.00 C ATOM 560 CG ASP A 34 7.045 7.915 5.919 1.00 0.00 C ATOM 561 OD1 ASP A 34 5.958 7.836 6.530 1.00 0.00 O ATOM 562 OD2 ASP A 34 8.039 8.524 6.367 1.00 0.00 O ATOM 0 H ASP A 34 4.743 7.185 5.032 1.00 0.00 H new ATOM 0 HA ASP A 34 6.290 8.823 3.404 1.00 0.00 H new ATOM 0 HB2 ASP A 34 7.038 6.165 4.688 1.00 0.00 H new ATOM 0 HB3 ASP A 34 8.162 7.405 4.167 1.00 0.00 H new ATOM 567 N GLY A 35 5.360 6.132 1.936 1.00 0.00 N ATOM 568 CA GLY A 35 5.418 5.387 0.692 1.00 0.00 C ATOM 569 C GLY A 35 6.136 4.060 0.844 1.00 0.00 C ATOM 570 O GLY A 35 6.914 3.663 -0.024 1.00 0.00 O ATOM 0 H GLY A 35 4.569 5.901 2.537 1.00 0.00 H new ATOM 0 HA2 GLY A 35 4.405 5.209 0.331 1.00 0.00 H new ATOM 0 HA3 GLY A 35 5.925 5.987 -0.064 1.00 0.00 H new ATOM 574 N THR A 36 5.877 3.372 1.951 1.00 0.00 N ATOM 575 CA THR A 36 6.506 2.084 2.215 1.00 0.00 C ATOM 576 C THR A 36 5.488 1.069 2.724 1.00 0.00 C ATOM 577 O THR A 36 4.473 1.436 3.316 1.00 0.00 O ATOM 578 CB THR A 36 7.642 2.215 3.247 1.00 0.00 C ATOM 579 OG1 THR A 36 7.183 2.941 4.392 1.00 0.00 O ATOM 580 CG2 THR A 36 8.845 2.923 2.640 1.00 0.00 C ATOM 0 H THR A 36 5.236 3.685 2.680 1.00 0.00 H new ATOM 0 HA THR A 36 6.922 1.736 1.270 1.00 0.00 H new ATOM 0 HB THR A 36 7.945 1.213 3.551 1.00 0.00 H new ATOM 0 HG1 THR A 36 7.911 3.018 5.044 1.00 0.00 H new ATOM 0 HG21 THR A 36 9.635 3.004 3.387 1.00 0.00 H new ATOM 0 HG22 THR A 36 9.210 2.352 1.786 1.00 0.00 H new ATOM 0 HG23 THR A 36 8.553 3.920 2.311 1.00 0.00 H new ATOM 588 N LEU A 37 5.766 -0.208 2.489 1.00 0.00 N ATOM 589 CA LEU A 37 4.875 -1.278 2.924 1.00 0.00 C ATOM 590 C LEU A 37 5.615 -2.278 3.807 1.00 0.00 C ATOM 591 O LEU A 37 6.479 -3.016 3.337 1.00 0.00 O ATOM 592 CB LEU A 37 4.277 -1.995 1.712 1.00 0.00 C ATOM 593 CG LEU A 37 3.055 -2.872 1.987 1.00 0.00 C ATOM 594 CD1 LEU A 37 1.808 -2.017 2.144 1.00 0.00 C ATOM 595 CD2 LEU A 37 2.869 -3.891 0.872 1.00 0.00 C ATOM 0 H LEU A 37 6.602 -0.528 1.999 1.00 0.00 H new ATOM 0 HA LEU A 37 4.070 -0.832 3.508 1.00 0.00 H new ATOM 0 HB2 LEU A 37 4.002 -1.245 0.971 1.00 0.00 H new ATOM 0 HB3 LEU A 37 5.052 -2.617 1.264 1.00 0.00 H new ATOM 0 HG LEU A 37 3.220 -3.410 2.920 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.949 -2.659 2.339 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.942 -1.327 2.977 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.637 -1.451 1.228 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.995 -4.507 1.084 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.726 -3.372 -0.076 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.753 -4.526 0.808 1.00 0.00 H new ATOM 607 N GLY A 38 5.267 -2.298 5.090 1.00 0.00 N ATOM 608 CA GLY A 38 5.906 -3.213 6.018 1.00 0.00 C ATOM 609 C GLY A 38 4.910 -4.114 6.721 1.00 0.00 C ATOM 610 O GLY A 38 3.830 -3.672 7.111 1.00 0.00 O ATOM 0 H GLY A 38 4.554 -1.697 5.503 1.00 0.00 H new ATOM 0 HA2 GLY A 38 6.629 -3.826 5.480 1.00 0.00 H new ATOM 0 HA3 GLY A 38 6.463 -2.642 6.761 1.00 0.00 H new ATOM 614 N TYR A 39 5.274 -5.382 6.882 1.00 0.00 N ATOM 615 CA TYR A 39 4.403 -6.349 7.539 1.00 0.00 C ATOM 616 C TYR A 39 5.053 -6.893 8.808 1.00 0.00 C ATOM 617 O TYR A 39 6.249 -7.183 8.832 1.00 0.00 O ATOM 618 CB TYR A 39 4.075 -7.500 6.588 1.00 0.00 C ATOM 619 CG TYR A 39 5.288 -8.079 5.896 1.00 0.00 C ATOM 620 CD1 TYR A 39 5.801 -7.494 4.745 1.00 0.00 C ATOM 621 CD2 TYR A 39 5.922 -9.211 6.393 1.00 0.00 C ATOM 622 CE1 TYR A 39 6.909 -8.019 4.109 1.00 0.00 C ATOM 623 CE2 TYR A 39 7.031 -9.743 5.765 1.00 0.00 C ATOM 624 CZ TYR A 39 7.521 -9.144 4.623 1.00 0.00 C ATOM 625 OH TYR A 39 8.625 -9.671 3.993 1.00 0.00 O ATOM 0 H TYR A 39 6.166 -5.763 6.567 1.00 0.00 H new ATOM 0 HA TYR A 39 3.480 -5.840 7.814 1.00 0.00 H new ATOM 0 HB2 TYR A 39 3.574 -8.291 7.147 1.00 0.00 H new ATOM 0 HB3 TYR A 39 3.371 -7.148 5.834 1.00 0.00 H new ATOM 0 HD1 TYR A 39 5.325 -6.613 4.340 1.00 0.00 H new ATOM 0 HD2 TYR A 39 5.541 -9.683 7.286 1.00 0.00 H new ATOM 0 HE1 TYR A 39 7.294 -7.552 3.215 1.00 0.00 H new ATOM 0 HE2 TYR A 39 7.512 -10.623 6.166 1.00 0.00 H new ATOM 0 HH TYR A 39 8.935 -10.461 4.483 1.00 0.00 H new ATOM 635 N TYR A 40 4.255 -7.028 9.862 1.00 0.00 N ATOM 636 CA TYR A 40 4.751 -7.535 11.136 1.00 0.00 C ATOM 637 C TYR A 40 3.845 -8.639 11.672 1.00 0.00 C ATOM 638 O TYR A 40 2.635 -8.632 11.445 1.00 0.00 O ATOM 639 CB TYR A 40 4.850 -6.400 12.157 1.00 0.00 C ATOM 640 CG TYR A 40 5.614 -5.197 11.653 1.00 0.00 C ATOM 641 CD1 TYR A 40 5.084 -4.375 10.666 1.00 0.00 C ATOM 642 CD2 TYR A 40 6.868 -4.883 12.162 1.00 0.00 C ATOM 643 CE1 TYR A 40 5.779 -3.276 10.202 1.00 0.00 C ATOM 644 CE2 TYR A 40 7.570 -3.785 11.705 1.00 0.00 C ATOM 645 CZ TYR A 40 7.022 -2.984 10.725 1.00 0.00 C ATOM 646 OH TYR A 40 7.718 -1.890 10.267 1.00 0.00 O ATOM 0 H TYR A 40 3.262 -6.793 9.859 1.00 0.00 H new ATOM 0 HA TYR A 40 5.744 -7.953 10.970 1.00 0.00 H new ATOM 0 HB2 TYR A 40 3.845 -6.089 12.440 1.00 0.00 H new ATOM 0 HB3 TYR A 40 5.334 -6.775 13.059 1.00 0.00 H new ATOM 0 HD1 TYR A 40 4.111 -4.600 10.255 1.00 0.00 H new ATOM 0 HD2 TYR A 40 7.301 -5.508 12.928 1.00 0.00 H new ATOM 0 HE1 TYR A 40 5.352 -2.648 9.434 1.00 0.00 H new ATOM 0 HE2 TYR A 40 8.543 -3.555 12.113 1.00 0.00 H new ATOM 0 HH TYR A 40 8.574 -1.826 10.739 1.00 0.00 H new ATOM 656 N HIS A 41 4.441 -9.589 12.387 1.00 0.00 N ATOM 657 CA HIS A 41 3.689 -10.701 12.958 1.00 0.00 C ATOM 658 C HIS A 41 2.294 -10.252 13.384 1.00 0.00 C ATOM 659 O HIS A 41 1.292 -10.687 12.816 1.00 0.00 O ATOM 660 CB HIS A 41 4.436 -11.288 14.156 1.00 0.00 C ATOM 661 CG HIS A 41 5.566 -12.193 13.772 1.00 0.00 C ATOM 662 ND1 HIS A 41 6.903 -12.056 13.930 1.00 0.00 N flip ATOM 663 CD2 HIS A 41 5.378 -13.406 13.144 1.00 0.00 C flip ATOM 664 CE1 HIS A 41 7.493 -13.177 13.401 1.00 0.00 C flip ATOM 665 NE2 HIS A 41 6.551 -13.976 12.933 1.00 0.00 N flip ATOM 0 H HIS A 41 5.441 -9.611 12.584 1.00 0.00 H new ATOM 0 HA HIS A 41 3.586 -11.469 12.191 1.00 0.00 H new ATOM 0 HB2 HIS A 41 4.825 -10.473 14.766 1.00 0.00 H new ATOM 0 HB3 HIS A 41 3.732 -11.842 14.777 1.00 0.00 H new ATOM 0 HD2 HIS A 41 4.422 -13.825 12.868 1.00 0.00 H new ATOM 0 HE1 HIS A 41 8.555 -13.374 13.372 1.00 0.00 H new ATOM 0 HE2 HIS A 41 6.703 -14.880 12.485 1.00 0.00 H new ATOM 674 N ASP A 42 2.238 -9.381 14.385 1.00 0.00 N ATOM 675 CA ASP A 42 0.967 -8.873 14.887 1.00 0.00 C ATOM 676 C ASP A 42 0.924 -7.350 14.817 1.00 0.00 C ATOM 677 O ASP A 42 1.884 -6.713 14.384 1.00 0.00 O ATOM 678 CB ASP A 42 0.740 -9.337 16.327 1.00 0.00 C ATOM 679 CG ASP A 42 -0.730 -9.391 16.693 1.00 0.00 C ATOM 680 OD1 ASP A 42 -1.357 -10.448 16.472 1.00 0.00 O ATOM 681 OD2 ASP A 42 -1.254 -8.377 17.200 1.00 0.00 O ATOM 0 H ASP A 42 3.059 -9.012 14.865 1.00 0.00 H new ATOM 0 HA ASP A 42 0.171 -9.270 14.256 1.00 0.00 H new ATOM 0 HB2 ASP A 42 1.181 -10.325 16.461 1.00 0.00 H new ATOM 0 HB3 ASP A 42 1.257 -8.662 17.009 1.00 0.00 H new ATOM 686 N GLU A 43 -0.195 -6.774 15.245 1.00 0.00 N ATOM 687 CA GLU A 43 -0.362 -5.325 15.228 1.00 0.00 C ATOM 688 C GLU A 43 0.881 -4.628 15.775 1.00 0.00 C ATOM 689 O GLU A 43 1.189 -3.497 15.398 1.00 0.00 O ATOM 690 CB GLU A 43 -1.589 -4.922 16.048 1.00 0.00 C ATOM 691 CG GLU A 43 -1.417 -5.129 17.544 1.00 0.00 C ATOM 692 CD GLU A 43 -2.666 -4.780 18.329 1.00 0.00 C ATOM 693 OE1 GLU A 43 -3.766 -5.201 17.912 1.00 0.00 O ATOM 694 OE2 GLU A 43 -2.543 -4.087 19.360 1.00 0.00 O ATOM 0 H GLU A 43 -0.998 -7.288 15.607 1.00 0.00 H new ATOM 0 HA GLU A 43 -0.507 -5.013 14.194 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -1.813 -3.872 15.859 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -2.449 -5.498 15.707 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -1.151 -6.169 17.735 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -0.587 -4.518 17.898 1.00 0.00 H new ATOM 701 N THR A 44 1.591 -5.311 16.667 1.00 0.00 N ATOM 702 CA THR A 44 2.799 -4.759 17.268 1.00 0.00 C ATOM 703 C THR A 44 3.985 -4.867 16.317 1.00 0.00 C ATOM 704 O THR A 44 4.425 -5.967 15.981 1.00 0.00 O ATOM 705 CB THR A 44 3.146 -5.471 18.588 1.00 0.00 C ATOM 706 OG1 THR A 44 3.147 -6.890 18.394 1.00 0.00 O ATOM 707 CG2 THR A 44 2.152 -5.104 19.679 1.00 0.00 C ATOM 0 H THR A 44 1.350 -6.248 16.990 1.00 0.00 H new ATOM 0 HA THR A 44 2.597 -3.708 17.474 1.00 0.00 H new ATOM 0 HB THR A 44 4.139 -5.147 18.900 1.00 0.00 H new ATOM 0 HG1 THR A 44 3.550 -7.101 17.526 1.00 0.00 H new ATOM 0 HG21 THR A 44 2.418 -5.619 20.602 1.00 0.00 H new ATOM 0 HG22 THR A 44 2.175 -4.027 19.845 1.00 0.00 H new ATOM 0 HG23 THR A 44 1.149 -5.402 19.373 1.00 0.00 H new ATOM 715 N ALA A 45 4.501 -3.720 15.887 1.00 0.00 N ATOM 716 CA ALA A 45 5.639 -3.687 14.977 1.00 0.00 C ATOM 717 C ALA A 45 6.951 -3.867 15.732 1.00 0.00 C ATOM 718 O ALA A 45 7.860 -3.045 15.618 1.00 0.00 O ATOM 719 CB ALA A 45 5.652 -2.382 14.195 1.00 0.00 C ATOM 0 H ALA A 45 4.148 -2.801 16.155 1.00 0.00 H new ATOM 0 HA ALA A 45 5.537 -4.516 14.277 1.00 0.00 H new ATOM 0 HB1 ALA A 45 6.507 -2.371 13.519 1.00 0.00 H new ATOM 0 HB2 ALA A 45 4.732 -2.295 13.617 1.00 0.00 H new ATOM 0 HB3 ALA A 45 5.726 -1.544 14.888 1.00 0.00 H new ATOM 725 N GLN A 46 7.042 -4.945 16.504 1.00 0.00 N ATOM 726 CA GLN A 46 8.244 -5.230 17.279 1.00 0.00 C ATOM 727 C GLN A 46 9.183 -6.151 16.508 1.00 0.00 C ATOM 728 O GLN A 46 10.404 -6.013 16.584 1.00 0.00 O ATOM 729 CB GLN A 46 7.872 -5.867 18.620 1.00 0.00 C ATOM 730 CG GLN A 46 6.921 -5.022 19.452 1.00 0.00 C ATOM 731 CD GLN A 46 6.369 -5.772 20.648 1.00 0.00 C ATOM 732 OE1 GLN A 46 6.747 -6.915 20.907 1.00 0.00 O ATOM 733 NE2 GLN A 46 5.469 -5.131 21.385 1.00 0.00 N ATOM 0 H GLN A 46 6.298 -5.635 16.610 1.00 0.00 H new ATOM 0 HA GLN A 46 8.760 -4.288 17.463 1.00 0.00 H new ATOM 0 HB2 GLN A 46 7.415 -6.839 18.436 1.00 0.00 H new ATOM 0 HB3 GLN A 46 8.782 -6.046 19.193 1.00 0.00 H new ATOM 0 HG2 GLN A 46 7.442 -4.129 19.797 1.00 0.00 H new ATOM 0 HG3 GLN A 46 6.095 -4.687 18.825 1.00 0.00 H new ATOM 0 HE21 GLN A 46 5.185 -4.184 21.134 1.00 0.00 H new ATOM 0 HE22 GLN A 46 5.062 -5.585 22.202 1.00 0.00 H new ATOM 742 N ASP A 47 8.606 -7.090 15.767 1.00 0.00 N ATOM 743 CA ASP A 47 9.392 -8.034 14.981 1.00 0.00 C ATOM 744 C ASP A 47 9.308 -7.705 13.494 1.00 0.00 C ATOM 745 O ASP A 47 8.597 -8.370 12.741 1.00 0.00 O ATOM 746 CB ASP A 47 8.907 -9.464 15.228 1.00 0.00 C ATOM 747 CG ASP A 47 9.469 -10.053 16.507 1.00 0.00 C ATOM 748 OD1 ASP A 47 10.678 -10.362 16.536 1.00 0.00 O ATOM 749 OD2 ASP A 47 8.699 -10.206 17.478 1.00 0.00 O ATOM 0 H ASP A 47 7.597 -7.218 15.694 1.00 0.00 H new ATOM 0 HA ASP A 47 10.433 -7.952 15.295 1.00 0.00 H new ATOM 0 HB2 ASP A 47 7.818 -9.472 15.275 1.00 0.00 H new ATOM 0 HB3 ASP A 47 9.194 -10.093 14.385 1.00 0.00 H new ATOM 754 N GLU A 48 10.038 -6.675 13.079 1.00 0.00 N ATOM 755 CA GLU A 48 10.044 -6.257 11.682 1.00 0.00 C ATOM 756 C GLU A 48 10.533 -7.385 10.779 1.00 0.00 C ATOM 757 O GLU A 48 11.704 -7.763 10.820 1.00 0.00 O ATOM 758 CB GLU A 48 10.929 -5.022 11.499 1.00 0.00 C ATOM 759 CG GLU A 48 10.763 -4.349 10.147 1.00 0.00 C ATOM 760 CD GLU A 48 11.990 -3.559 9.735 1.00 0.00 C ATOM 761 OE1 GLU A 48 13.107 -3.946 10.137 1.00 0.00 O ATOM 762 OE2 GLU A 48 11.833 -2.554 9.011 1.00 0.00 O ATOM 0 H GLU A 48 10.633 -6.115 13.690 1.00 0.00 H new ATOM 0 HA GLU A 48 9.021 -6.007 11.400 1.00 0.00 H new ATOM 0 HB2 GLU A 48 10.700 -4.302 12.284 1.00 0.00 H new ATOM 0 HB3 GLU A 48 11.972 -5.311 11.626 1.00 0.00 H new ATOM 0 HG2 GLU A 48 10.552 -5.106 9.392 1.00 0.00 H new ATOM 0 HG3 GLU A 48 9.901 -3.683 10.180 1.00 0.00 H new ATOM 769 N GLU A 49 9.628 -7.919 9.964 1.00 0.00 N ATOM 770 CA GLU A 49 9.967 -9.005 9.052 1.00 0.00 C ATOM 771 C GLU A 49 10.649 -8.468 7.797 1.00 0.00 C ATOM 772 O GLU A 49 11.670 -8.997 7.357 1.00 0.00 O ATOM 773 CB GLU A 49 8.711 -9.789 8.668 1.00 0.00 C ATOM 774 CG GLU A 49 7.973 -10.378 9.858 1.00 0.00 C ATOM 775 CD GLU A 49 6.906 -11.374 9.448 1.00 0.00 C ATOM 776 OE1 GLU A 49 7.178 -12.202 8.555 1.00 0.00 O ATOM 777 OE2 GLU A 49 5.797 -11.324 10.022 1.00 0.00 O ATOM 0 H GLU A 49 8.655 -7.617 9.917 1.00 0.00 H new ATOM 0 HA GLU A 49 10.660 -9.672 9.564 1.00 0.00 H new ATOM 0 HB2 GLU A 49 8.035 -9.131 8.122 1.00 0.00 H new ATOM 0 HB3 GLU A 49 8.990 -10.595 7.989 1.00 0.00 H new ATOM 0 HG2 GLU A 49 8.688 -10.869 10.518 1.00 0.00 H new ATOM 0 HG3 GLU A 49 7.512 -9.573 10.430 1.00 0.00 H new ATOM 784 N ASP A 50 10.076 -7.415 7.224 1.00 0.00 N ATOM 785 CA ASP A 50 10.628 -6.805 6.020 1.00 0.00 C ATOM 786 C ASP A 50 9.940 -5.477 5.719 1.00 0.00 C ATOM 787 O ASP A 50 8.968 -5.107 6.378 1.00 0.00 O ATOM 788 CB ASP A 50 10.478 -7.753 4.828 1.00 0.00 C ATOM 789 CG ASP A 50 11.562 -7.549 3.788 1.00 0.00 C ATOM 790 OD1 ASP A 50 12.408 -6.651 3.979 1.00 0.00 O ATOM 791 OD2 ASP A 50 11.564 -8.289 2.782 1.00 0.00 O ATOM 0 H ASP A 50 9.230 -6.966 7.574 1.00 0.00 H new ATOM 0 HA ASP A 50 11.687 -6.614 6.192 1.00 0.00 H new ATOM 0 HB2 ASP A 50 10.506 -8.784 5.181 1.00 0.00 H new ATOM 0 HB3 ASP A 50 9.502 -7.601 4.367 1.00 0.00 H new ATOM 796 N ARG A 51 10.451 -4.765 4.720 1.00 0.00 N ATOM 797 CA ARG A 51 9.887 -3.477 4.333 1.00 0.00 C ATOM 798 C ARG A 51 10.172 -3.178 2.864 1.00 0.00 C ATOM 799 O ARG A 51 11.327 -3.057 2.457 1.00 0.00 O ATOM 800 CB ARG A 51 10.457 -2.362 5.212 1.00 0.00 C ATOM 801 CG ARG A 51 9.686 -1.056 5.115 1.00 0.00 C ATOM 802 CD ARG A 51 10.365 0.052 5.905 1.00 0.00 C ATOM 803 NE ARG A 51 11.727 0.300 5.440 1.00 0.00 N ATOM 804 CZ ARG A 51 12.784 -0.385 5.862 1.00 0.00 C ATOM 805 NH1 ARG A 51 12.637 -1.355 6.753 1.00 0.00 N ATOM 806 NH2 ARG A 51 13.992 -0.099 5.391 1.00 0.00 N ATOM 0 H ARG A 51 11.254 -5.058 4.164 1.00 0.00 H new ATOM 0 HA ARG A 51 8.807 -3.524 4.473 1.00 0.00 H new ATOM 0 HB2 ARG A 51 10.461 -2.695 6.250 1.00 0.00 H new ATOM 0 HB3 ARG A 51 11.495 -2.183 4.930 1.00 0.00 H new ATOM 0 HG2 ARG A 51 9.601 -0.759 4.070 1.00 0.00 H new ATOM 0 HG3 ARG A 51 8.672 -1.202 5.488 1.00 0.00 H new ATOM 0 HD2 ARG A 51 9.781 0.968 5.820 1.00 0.00 H new ATOM 0 HD3 ARG A 51 10.386 -0.216 6.961 1.00 0.00 H new ATOM 0 HE ARG A 51 11.875 1.040 4.754 1.00 0.00 H new ATOM 0 HH11 ARG A 51 11.710 -1.577 7.117 1.00 0.00 H new ATOM 0 HH12 ARG A 51 13.451 -1.879 7.075 1.00 0.00 H new ATOM 0 HH21 ARG A 51 14.109 0.647 4.705 1.00 0.00 H new ATOM 0 HH22 ARG A 51 14.804 -0.625 5.715 1.00 0.00 H new ATOM 820 N VAL A 52 9.110 -3.060 2.073 1.00 0.00 N ATOM 821 CA VAL A 52 9.246 -2.774 0.650 1.00 0.00 C ATOM 822 C VAL A 52 8.824 -1.344 0.334 1.00 0.00 C ATOM 823 O VAL A 52 8.268 -0.647 1.183 1.00 0.00 O ATOM 824 CB VAL A 52 8.405 -3.745 -0.200 1.00 0.00 C ATOM 825 CG1 VAL A 52 8.862 -5.179 0.018 1.00 0.00 C ATOM 826 CG2 VAL A 52 6.926 -3.593 0.124 1.00 0.00 C ATOM 0 H VAL A 52 8.147 -3.158 2.394 1.00 0.00 H new ATOM 0 HA VAL A 52 10.299 -2.902 0.401 1.00 0.00 H new ATOM 0 HB VAL A 52 8.550 -3.499 -1.252 1.00 0.00 H new ATOM 0 HG11 VAL A 52 8.256 -5.850 -0.591 1.00 0.00 H new ATOM 0 HG12 VAL A 52 9.909 -5.275 -0.269 1.00 0.00 H new ATOM 0 HG13 VAL A 52 8.748 -5.441 1.070 1.00 0.00 H new ATOM 0 HG21 VAL A 52 6.347 -4.287 -0.486 1.00 0.00 H new ATOM 0 HG22 VAL A 52 6.760 -3.812 1.179 1.00 0.00 H new ATOM 0 HG23 VAL A 52 6.610 -2.572 -0.089 1.00 0.00 H new ATOM 836 N VAL A 53 9.092 -0.911 -0.894 1.00 0.00 N ATOM 837 CA VAL A 53 8.740 0.437 -1.324 1.00 0.00 C ATOM 838 C VAL A 53 7.399 0.449 -2.050 1.00 0.00 C ATOM 839 O VAL A 53 7.092 -0.461 -2.822 1.00 0.00 O ATOM 840 CB VAL A 53 9.818 1.031 -2.249 1.00 0.00 C ATOM 841 CG1 VAL A 53 9.479 2.470 -2.609 1.00 0.00 C ATOM 842 CG2 VAL A 53 11.188 0.946 -1.594 1.00 0.00 C ATOM 0 H VAL A 53 9.552 -1.475 -1.609 1.00 0.00 H new ATOM 0 HA VAL A 53 8.668 1.048 -0.424 1.00 0.00 H new ATOM 0 HB VAL A 53 9.844 0.447 -3.169 1.00 0.00 H new ATOM 0 HG11 VAL A 53 10.252 2.873 -3.263 1.00 0.00 H new ATOM 0 HG12 VAL A 53 8.518 2.500 -3.122 1.00 0.00 H new ATOM 0 HG13 VAL A 53 9.424 3.069 -1.700 1.00 0.00 H new ATOM 0 HG21 VAL A 53 11.938 1.370 -2.262 1.00 0.00 H new ATOM 0 HG22 VAL A 53 11.179 1.504 -0.658 1.00 0.00 H new ATOM 0 HG23 VAL A 53 11.431 -0.097 -1.392 1.00 0.00 H new ATOM 852 N ILE A 54 6.606 1.485 -1.800 1.00 0.00 N ATOM 853 CA ILE A 54 5.299 1.616 -2.431 1.00 0.00 C ATOM 854 C ILE A 54 5.288 2.760 -3.440 1.00 0.00 C ATOM 855 O ILE A 54 4.695 2.649 -4.514 1.00 0.00 O ATOM 856 CB ILE A 54 4.191 1.855 -1.389 1.00 0.00 C ATOM 857 CG1 ILE A 54 3.946 0.584 -0.572 1.00 0.00 C ATOM 858 CG2 ILE A 54 2.909 2.307 -2.072 1.00 0.00 C ATOM 859 CD1 ILE A 54 3.027 -0.405 -1.254 1.00 0.00 C ATOM 0 H ILE A 54 6.846 2.246 -1.165 1.00 0.00 H new ATOM 0 HA ILE A 54 5.103 0.676 -2.948 1.00 0.00 H new ATOM 0 HB ILE A 54 4.515 2.644 -0.711 1.00 0.00 H new ATOM 0 HG12 ILE A 54 4.902 0.101 -0.372 1.00 0.00 H new ATOM 0 HG13 ILE A 54 3.519 0.859 0.393 1.00 0.00 H new ATOM 0 HG21 ILE A 54 2.136 2.472 -1.322 1.00 0.00 H new ATOM 0 HG22 ILE A 54 3.093 3.235 -2.613 1.00 0.00 H new ATOM 0 HG23 ILE A 54 2.579 1.539 -2.771 1.00 0.00 H new ATOM 0 HD11 ILE A 54 2.899 -1.281 -0.618 1.00 0.00 H new ATOM 0 HD12 ILE A 54 2.057 0.061 -1.430 1.00 0.00 H new ATOM 0 HD13 ILE A 54 3.462 -0.709 -2.206 1.00 0.00 H new ATOM 871 N HIS A 55 5.948 3.858 -3.087 1.00 0.00 N ATOM 872 CA HIS A 55 6.017 5.023 -3.963 1.00 0.00 C ATOM 873 C HIS A 55 6.578 4.643 -5.330 1.00 0.00 C ATOM 874 O HIS A 55 7.705 4.158 -5.436 1.00 0.00 O ATOM 875 CB HIS A 55 6.881 6.113 -3.329 1.00 0.00 C ATOM 876 CG HIS A 55 7.390 7.122 -4.313 1.00 0.00 C ATOM 877 ND1 HIS A 55 8.275 6.998 -5.329 1.00 0.00 N flip ATOM 878 CD2 HIS A 55 6.988 8.441 -4.314 1.00 0.00 C flip ATOM 879 CE1 HIS A 55 8.389 8.232 -5.922 1.00 0.00 C flip ATOM 880 NE2 HIS A 55 7.602 9.084 -5.291 1.00 0.00 N flip ATOM 0 H HIS A 55 6.442 3.966 -2.201 1.00 0.00 H new ATOM 0 HA HIS A 55 5.005 5.405 -4.099 1.00 0.00 H new ATOM 0 HB2 HIS A 55 6.300 6.626 -2.563 1.00 0.00 H new ATOM 0 HB3 HIS A 55 7.729 5.647 -2.827 1.00 0.00 H new ATOM 0 HD1 HIS A 55 8.766 6.147 -5.603 1.00 0.00 H new ATOM 0 HD2 HIS A 55 6.282 8.880 -3.624 1.00 0.00 H new ATOM 0 HE1 HIS A 55 9.020 8.467 -6.767 1.00 0.00 H new ATOM 889 N PHE A 56 5.785 4.865 -6.372 1.00 0.00 N ATOM 890 CA PHE A 56 6.202 4.545 -7.732 1.00 0.00 C ATOM 891 C PHE A 56 7.049 3.276 -7.756 1.00 0.00 C ATOM 892 O PHE A 56 8.091 3.226 -8.409 1.00 0.00 O ATOM 893 CB PHE A 56 6.989 5.710 -8.335 1.00 0.00 C ATOM 894 CG PHE A 56 6.125 6.721 -9.031 1.00 0.00 C ATOM 895 CD1 PHE A 56 5.540 7.758 -8.322 1.00 0.00 C ATOM 896 CD2 PHE A 56 5.897 6.635 -10.396 1.00 0.00 C ATOM 897 CE1 PHE A 56 4.744 8.691 -8.960 1.00 0.00 C ATOM 898 CE2 PHE A 56 5.102 7.565 -11.039 1.00 0.00 C ATOM 899 CZ PHE A 56 4.524 8.593 -10.320 1.00 0.00 C ATOM 0 H PHE A 56 4.850 5.265 -6.301 1.00 0.00 H new ATOM 0 HA PHE A 56 5.307 4.374 -8.330 1.00 0.00 H new ATOM 0 HB2 PHE A 56 7.550 6.207 -7.544 1.00 0.00 H new ATOM 0 HB3 PHE A 56 7.718 5.317 -9.044 1.00 0.00 H new ATOM 0 HD1 PHE A 56 5.708 7.838 -7.258 1.00 0.00 H new ATOM 0 HD2 PHE A 56 6.345 5.833 -10.963 1.00 0.00 H new ATOM 0 HE1 PHE A 56 4.295 9.495 -8.396 1.00 0.00 H new ATOM 0 HE2 PHE A 56 4.933 7.488 -12.103 1.00 0.00 H new ATOM 0 HZ PHE A 56 3.901 9.319 -10.821 1.00 0.00 H new ATOM 909 N ASN A 57 6.595 2.254 -7.039 1.00 0.00 N ATOM 910 CA ASN A 57 7.311 0.985 -6.977 1.00 0.00 C ATOM 911 C ASN A 57 6.400 -0.174 -7.368 1.00 0.00 C ATOM 912 O ASN A 57 6.863 -1.290 -7.604 1.00 0.00 O ATOM 913 CB ASN A 57 7.867 0.759 -5.569 1.00 0.00 C ATOM 914 CG ASN A 57 9.069 -0.166 -5.565 1.00 0.00 C ATOM 915 OD1 ASN A 57 8.879 -1.380 -5.060 1.00 0.00 O flip ATOM 916 ND2 ASN A 57 10.155 0.206 -6.010 1.00 0.00 N flip ATOM 0 H ASN A 57 5.734 2.279 -6.492 1.00 0.00 H new ATOM 0 HA ASN A 57 8.138 1.028 -7.686 1.00 0.00 H new ATOM 0 HB2 ASN A 57 8.148 1.718 -5.134 1.00 0.00 H new ATOM 0 HB3 ASN A 57 7.086 0.338 -4.936 1.00 0.00 H new ATOM 0 HD21 ASN A 57 10.255 1.148 -6.389 1.00 0.00 H new ATOM 0 HD22 ASN A 57 10.954 -0.428 -6.000 1.00 0.00 H new ATOM 923 N VAL A 58 5.101 0.098 -7.436 1.00 0.00 N ATOM 924 CA VAL A 58 4.124 -0.921 -7.801 1.00 0.00 C ATOM 925 C VAL A 58 3.980 -1.027 -9.315 1.00 0.00 C ATOM 926 O VAL A 58 3.244 -0.258 -9.934 1.00 0.00 O ATOM 927 CB VAL A 58 2.744 -0.622 -7.185 1.00 0.00 C ATOM 928 CG1 VAL A 58 1.716 -1.637 -7.659 1.00 0.00 C ATOM 929 CG2 VAL A 58 2.831 -0.608 -5.666 1.00 0.00 C ATOM 0 H VAL A 58 4.700 1.016 -7.243 1.00 0.00 H new ATOM 0 HA VAL A 58 4.492 -1.868 -7.407 1.00 0.00 H new ATOM 0 HB VAL A 58 2.423 0.365 -7.517 1.00 0.00 H new ATOM 0 HG11 VAL A 58 0.748 -1.409 -7.213 1.00 0.00 H new ATOM 0 HG12 VAL A 58 1.635 -1.593 -8.745 1.00 0.00 H new ATOM 0 HG13 VAL A 58 2.027 -2.638 -7.359 1.00 0.00 H new ATOM 0 HG21 VAL A 58 1.847 -0.395 -5.247 1.00 0.00 H new ATOM 0 HG22 VAL A 58 3.173 -1.580 -5.312 1.00 0.00 H new ATOM 0 HG23 VAL A 58 3.535 0.162 -5.349 1.00 0.00 H new ATOM 939 N ARG A 59 4.687 -1.985 -9.905 1.00 0.00 N ATOM 940 CA ARG A 59 4.638 -2.192 -11.348 1.00 0.00 C ATOM 941 C ARG A 59 3.244 -2.629 -11.787 1.00 0.00 C ATOM 942 O ARG A 59 2.710 -2.131 -12.779 1.00 0.00 O ATOM 943 CB ARG A 59 5.669 -3.240 -11.769 1.00 0.00 C ATOM 944 CG ARG A 59 6.008 -3.200 -13.250 1.00 0.00 C ATOM 945 CD ARG A 59 6.832 -1.971 -13.600 1.00 0.00 C ATOM 946 NE ARG A 59 7.177 -1.929 -15.018 1.00 0.00 N ATOM 947 CZ ARG A 59 7.811 -0.911 -15.591 1.00 0.00 C ATOM 948 NH1 ARG A 59 8.167 0.142 -14.869 1.00 0.00 N ATOM 949 NH2 ARG A 59 8.089 -0.946 -16.888 1.00 0.00 N ATOM 0 H ARG A 59 5.300 -2.630 -9.407 1.00 0.00 H new ATOM 0 HA ARG A 59 4.873 -1.245 -11.834 1.00 0.00 H new ATOM 0 HB2 ARG A 59 6.582 -3.092 -11.192 1.00 0.00 H new ATOM 0 HB3 ARG A 59 5.291 -4.231 -11.518 1.00 0.00 H new ATOM 0 HG2 ARG A 59 6.560 -4.099 -13.522 1.00 0.00 H new ATOM 0 HG3 ARG A 59 5.088 -3.201 -13.835 1.00 0.00 H new ATOM 0 HD2 ARG A 59 6.273 -1.073 -13.336 1.00 0.00 H new ATOM 0 HD3 ARG A 59 7.745 -1.965 -13.005 1.00 0.00 H new ATOM 0 HE ARG A 59 6.917 -2.725 -15.601 1.00 0.00 H new ATOM 0 HH11 ARG A 59 7.955 0.172 -13.872 1.00 0.00 H new ATOM 0 HH12 ARG A 59 8.653 0.922 -15.311 1.00 0.00 H new ATOM 0 HH21 ARG A 59 7.816 -1.755 -17.446 1.00 0.00 H new ATOM 0 HH22 ARG A 59 8.576 -0.164 -17.327 1.00 0.00 H new ATOM 963 N ASP A 60 2.660 -3.562 -11.044 1.00 0.00 N ATOM 964 CA ASP A 60 1.328 -4.066 -11.357 1.00 0.00 C ATOM 965 C ASP A 60 0.731 -4.802 -10.161 1.00 0.00 C ATOM 966 O ASP A 60 1.436 -5.130 -9.206 1.00 0.00 O ATOM 967 CB ASP A 60 1.383 -4.997 -12.569 1.00 0.00 C ATOM 968 CG ASP A 60 0.005 -5.330 -13.106 1.00 0.00 C ATOM 969 OD1 ASP A 60 -0.893 -4.467 -13.014 1.00 0.00 O ATOM 970 OD2 ASP A 60 -0.175 -6.454 -13.619 1.00 0.00 O ATOM 0 H ASP A 60 3.088 -3.985 -10.220 1.00 0.00 H new ATOM 0 HA ASP A 60 0.690 -3.214 -11.592 1.00 0.00 H new ATOM 0 HB2 ASP A 60 1.973 -4.529 -13.357 1.00 0.00 H new ATOM 0 HB3 ASP A 60 1.895 -5.919 -12.292 1.00 0.00 H new ATOM 975 N ILE A 61 -0.572 -5.058 -10.220 1.00 0.00 N ATOM 976 CA ILE A 61 -1.263 -5.755 -9.143 1.00 0.00 C ATOM 977 C ILE A 61 -2.361 -6.661 -9.689 1.00 0.00 C ATOM 978 O ILE A 61 -3.289 -6.199 -10.354 1.00 0.00 O ATOM 979 CB ILE A 61 -1.881 -4.765 -8.138 1.00 0.00 C ATOM 980 CG1 ILE A 61 -0.781 -4.018 -7.382 1.00 0.00 C ATOM 981 CG2 ILE A 61 -2.795 -5.498 -7.167 1.00 0.00 C ATOM 982 CD1 ILE A 61 -1.310 -3.061 -6.336 1.00 0.00 C ATOM 0 H ILE A 61 -1.170 -4.793 -11.003 1.00 0.00 H new ATOM 0 HA ILE A 61 -0.517 -6.362 -8.630 1.00 0.00 H new ATOM 0 HB ILE A 61 -2.477 -4.036 -8.688 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.125 -4.743 -6.901 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -0.173 -3.463 -8.096 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -3.224 -4.785 -6.463 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -3.596 -5.988 -7.721 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -2.221 -6.246 -6.621 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.475 -2.566 -5.840 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -1.943 -2.313 -6.814 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.894 -3.613 -5.600 1.00 0.00 H new ATOM 994 N LYS A 62 -2.251 -7.953 -9.403 1.00 0.00 N ATOM 995 CA LYS A 62 -3.236 -8.926 -9.862 1.00 0.00 C ATOM 996 C LYS A 62 -4.113 -9.399 -8.708 1.00 0.00 C ATOM 997 O LYS A 62 -3.641 -9.560 -7.582 1.00 0.00 O ATOM 998 CB LYS A 62 -2.537 -10.123 -10.510 1.00 0.00 C ATOM 999 CG LYS A 62 -1.872 -9.796 -11.836 1.00 0.00 C ATOM 1000 CD LYS A 62 -1.263 -11.033 -12.474 1.00 0.00 C ATOM 1001 CE LYS A 62 -0.928 -10.796 -13.939 1.00 0.00 C ATOM 1002 NZ LYS A 62 -2.091 -11.074 -14.826 1.00 0.00 N ATOM 0 H LYS A 62 -1.489 -8.352 -8.855 1.00 0.00 H new ATOM 0 HA LYS A 62 -3.872 -8.440 -10.602 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -1.785 -10.510 -9.822 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -3.266 -10.918 -10.665 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -2.605 -9.359 -12.514 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -1.096 -9.046 -11.680 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -0.359 -11.315 -11.934 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -1.959 -11.868 -12.389 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -0.606 -9.764 -14.075 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -0.091 -11.432 -14.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -1.822 -10.901 -15.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -2.383 -12.066 -14.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -2.882 -10.450 -14.568 1.00 0.00 H new ATOM 1016 N VAL A 63 -5.392 -9.621 -8.994 1.00 0.00 N ATOM 1017 CA VAL A 63 -6.334 -10.078 -7.980 1.00 0.00 C ATOM 1018 C VAL A 63 -7.313 -11.095 -8.557 1.00 0.00 C ATOM 1019 O VAL A 63 -7.877 -10.889 -9.631 1.00 0.00 O ATOM 1020 CB VAL A 63 -7.128 -8.902 -7.380 1.00 0.00 C ATOM 1021 CG1 VAL A 63 -8.042 -9.388 -6.266 1.00 0.00 C ATOM 1022 CG2 VAL A 63 -6.181 -7.825 -6.872 1.00 0.00 C ATOM 0 H VAL A 63 -5.799 -9.492 -9.920 1.00 0.00 H new ATOM 0 HA VAL A 63 -5.746 -10.550 -7.193 1.00 0.00 H new ATOM 0 HB VAL A 63 -7.749 -8.468 -8.163 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -8.595 -8.543 -5.854 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -8.743 -10.121 -6.665 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -7.444 -9.848 -5.479 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -6.758 -7.002 -6.451 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -5.533 -8.244 -6.102 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -5.572 -7.457 -7.698 1.00 0.00 H new ATOM 1032 N GLY A 64 -7.511 -12.194 -7.836 1.00 0.00 N ATOM 1033 CA GLY A 64 -8.422 -13.227 -8.293 1.00 0.00 C ATOM 1034 C GLY A 64 -7.942 -13.905 -9.560 1.00 0.00 C ATOM 1035 O GLY A 64 -6.755 -14.195 -9.705 1.00 0.00 O ATOM 0 H GLY A 64 -7.057 -12.388 -6.943 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -8.542 -13.974 -7.508 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -9.404 -12.789 -8.469 1.00 0.00 H new ATOM 1039 N GLN A 65 -8.867 -14.159 -10.480 1.00 0.00 N ATOM 1040 CA GLN A 65 -8.531 -14.809 -11.741 1.00 0.00 C ATOM 1041 C GLN A 65 -7.190 -14.311 -12.271 1.00 0.00 C ATOM 1042 O GLN A 65 -6.394 -15.087 -12.798 1.00 0.00 O ATOM 1043 CB GLN A 65 -9.628 -14.557 -12.778 1.00 0.00 C ATOM 1044 CG GLN A 65 -10.108 -13.115 -12.817 1.00 0.00 C ATOM 1045 CD GLN A 65 -11.523 -12.986 -13.345 1.00 0.00 C ATOM 1046 OE1 GLN A 65 -11.762 -13.106 -14.547 1.00 0.00 O ATOM 1047 NE2 GLN A 65 -12.470 -12.738 -12.448 1.00 0.00 N ATOM 0 H GLN A 65 -9.854 -13.925 -10.376 1.00 0.00 H new ATOM 0 HA GLN A 65 -8.453 -15.881 -11.558 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -9.255 -14.834 -13.764 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -10.476 -15.208 -12.564 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -10.059 -12.692 -11.814 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -9.436 -12.529 -13.443 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -12.227 -12.646 -11.462 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -13.441 -12.639 -12.745 1.00 0.00 H new ATOM 1056 N GLU A 66 -6.949 -13.012 -12.127 1.00 0.00 N ATOM 1057 CA GLU A 66 -5.705 -12.411 -12.592 1.00 0.00 C ATOM 1058 C GLU A 66 -4.516 -13.320 -12.293 1.00 0.00 C ATOM 1059 O GLU A 66 -3.741 -13.660 -13.188 1.00 0.00 O ATOM 1060 CB GLU A 66 -5.495 -11.045 -11.934 1.00 0.00 C ATOM 1061 CG GLU A 66 -6.556 -10.022 -12.303 1.00 0.00 C ATOM 1062 CD GLU A 66 -7.022 -10.156 -13.740 1.00 0.00 C ATOM 1063 OE1 GLU A 66 -6.160 -10.193 -14.642 1.00 0.00 O ATOM 1064 OE2 GLU A 66 -8.249 -10.225 -13.961 1.00 0.00 O ATOM 0 H GLU A 66 -7.598 -12.356 -11.692 1.00 0.00 H new ATOM 0 HA GLU A 66 -5.777 -12.279 -13.672 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -5.484 -11.170 -10.851 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -4.516 -10.660 -12.220 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -7.411 -10.134 -11.636 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -6.159 -9.019 -12.146 1.00 0.00 H new ATOM 1071 N CYS A 67 -4.380 -13.709 -11.031 1.00 0.00 N ATOM 1072 CA CYS A 67 -3.285 -14.577 -10.612 1.00 0.00 C ATOM 1073 C CYS A 67 -3.504 -16.004 -11.105 1.00 0.00 C ATOM 1074 O CYS A 67 -2.755 -16.503 -11.944 1.00 0.00 O ATOM 1075 CB CYS A 67 -3.151 -14.566 -9.089 1.00 0.00 C ATOM 1076 SG CYS A 67 -2.039 -13.288 -8.455 1.00 0.00 S ATOM 0 H CYS A 67 -5.014 -13.437 -10.280 1.00 0.00 H new ATOM 0 HA CYS A 67 -2.364 -14.196 -11.053 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -4.138 -14.424 -8.649 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -2.792 -15.541 -8.759 1.00 0.00 H new ATOM 0 HG CYS A 67 -2.546 -12.767 -7.377 1.00 0.00 H new ATOM 1144 N PRO A 72 -5.217 -21.461 -3.310 1.00 0.00 N ATOM 1145 CA PRO A 72 -5.971 -20.886 -2.192 1.00 0.00 C ATOM 1146 C PRO A 72 -6.114 -21.860 -1.027 1.00 0.00 C ATOM 1147 O PRO A 72 -6.404 -23.043 -1.208 1.00 0.00 O ATOM 1148 CB PRO A 72 -7.340 -20.583 -2.807 1.00 0.00 C ATOM 1149 CG PRO A 72 -7.463 -21.535 -3.946 1.00 0.00 C ATOM 1150 CD PRO A 72 -6.070 -21.723 -4.481 1.00 0.00 C ATOM 0 HA PRO A 72 -5.474 -20.012 -1.772 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -8.141 -20.728 -2.082 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -7.401 -19.549 -3.147 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -7.886 -22.484 -3.617 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -8.126 -21.140 -4.715 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -5.921 -22.731 -4.869 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -5.856 -21.032 -5.297 1.00 0.00 H new ATOM 1158 N PRO A 73 -5.906 -21.354 0.197 1.00 0.00 N ATOM 1159 CA PRO A 73 -6.008 -22.163 1.416 1.00 0.00 C ATOM 1160 C PRO A 73 -7.444 -22.573 1.721 1.00 0.00 C ATOM 1161 O PRO A 73 -8.364 -22.253 0.969 1.00 0.00 O ATOM 1162 CB PRO A 73 -5.474 -21.230 2.506 1.00 0.00 C ATOM 1163 CG PRO A 73 -5.712 -19.857 1.980 1.00 0.00 C ATOM 1164 CD PRO A 73 -5.557 -19.953 0.487 1.00 0.00 C ATOM 0 HA PRO A 73 -5.458 -23.100 1.331 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -5.994 -21.387 3.451 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -4.414 -21.404 2.692 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -6.708 -19.504 2.247 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -4.999 -19.148 2.402 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -6.218 -19.259 -0.031 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -4.540 -19.719 0.173 1.00 0.00 H new ATOM 1172 N GLU A 74 -7.629 -23.281 2.831 1.00 0.00 N ATOM 1173 CA GLU A 74 -8.955 -23.734 3.235 1.00 0.00 C ATOM 1174 C GLU A 74 -9.779 -22.578 3.794 1.00 0.00 C ATOM 1175 O GLU A 74 -9.311 -21.824 4.646 1.00 0.00 O ATOM 1176 CB GLU A 74 -8.842 -24.847 4.280 1.00 0.00 C ATOM 1177 CG GLU A 74 -10.185 -25.380 4.749 1.00 0.00 C ATOM 1178 CD GLU A 74 -10.967 -24.362 5.556 1.00 0.00 C ATOM 1179 OE1 GLU A 74 -10.381 -23.760 6.481 1.00 0.00 O ATOM 1180 OE2 GLU A 74 -12.165 -24.167 5.263 1.00 0.00 O ATOM 0 H GLU A 74 -6.878 -23.553 3.466 1.00 0.00 H new ATOM 0 HA GLU A 74 -9.462 -24.124 2.352 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -8.260 -25.669 3.862 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -8.289 -24.471 5.141 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -10.774 -25.682 3.883 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -10.026 -26.273 5.354 1.00 0.00 H new ATOM 1187 N GLY A 75 -11.009 -22.445 3.308 1.00 0.00 N ATOM 1188 CA GLY A 75 -11.878 -21.378 3.769 1.00 0.00 C ATOM 1189 C GLY A 75 -11.888 -20.190 2.828 1.00 0.00 C ATOM 1190 O GLY A 75 -12.930 -19.836 2.277 1.00 0.00 O ATOM 0 H GLY A 75 -11.419 -23.057 2.603 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -12.893 -21.761 3.876 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -11.554 -21.052 4.757 1.00 0.00 H new ATOM 1194 N ARG A 76 -10.726 -19.573 2.644 1.00 0.00 N ATOM 1195 CA ARG A 76 -10.606 -18.416 1.765 1.00 0.00 C ATOM 1196 C ARG A 76 -11.208 -18.710 0.394 1.00 0.00 C ATOM 1197 O ARG A 76 -11.787 -19.774 0.175 1.00 0.00 O ATOM 1198 CB ARG A 76 -9.138 -18.013 1.614 1.00 0.00 C ATOM 1199 CG ARG A 76 -8.666 -17.024 2.667 1.00 0.00 C ATOM 1200 CD ARG A 76 -9.330 -17.281 4.010 1.00 0.00 C ATOM 1201 NE ARG A 76 -10.572 -16.528 4.160 1.00 0.00 N ATOM 1202 CZ ARG A 76 -11.493 -16.803 5.077 1.00 0.00 C ATOM 1203 NH1 ARG A 76 -11.312 -17.809 5.922 1.00 0.00 N ATOM 1204 NH2 ARG A 76 -12.597 -16.072 5.150 1.00 0.00 N ATOM 0 H ARG A 76 -9.854 -19.855 3.092 1.00 0.00 H new ATOM 0 HA ARG A 76 -11.157 -17.591 2.215 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -8.518 -18.908 1.664 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -8.990 -17.577 0.626 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -7.584 -17.095 2.775 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -8.887 -16.008 2.339 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -9.537 -18.346 4.114 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -8.643 -17.010 4.812 1.00 0.00 H new ATOM 0 HE ARG A 76 -10.742 -15.748 3.526 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -10.464 -18.374 5.869 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -12.021 -18.018 6.625 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -12.740 -15.298 4.502 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -13.303 -16.284 5.855 1.00 0.00 H new ATOM 1218 N SER A 77 -11.066 -17.760 -0.525 1.00 0.00 N ATOM 1219 CA SER A 77 -11.599 -17.915 -1.873 1.00 0.00 C ATOM 1220 C SER A 77 -10.558 -17.523 -2.918 1.00 0.00 C ATOM 1221 O SER A 77 -9.631 -16.766 -2.632 1.00 0.00 O ATOM 1222 CB SER A 77 -12.859 -17.064 -2.048 1.00 0.00 C ATOM 1223 OG SER A 77 -13.883 -17.482 -1.162 1.00 0.00 O ATOM 0 H SER A 77 -10.586 -16.875 -0.360 1.00 0.00 H new ATOM 0 HA SER A 77 -11.855 -18.965 -2.016 1.00 0.00 H new ATOM 0 HB2 SER A 77 -12.622 -16.016 -1.866 1.00 0.00 H new ATOM 0 HB3 SER A 77 -13.211 -17.137 -3.077 1.00 0.00 H new ATOM 0 HG SER A 77 -14.677 -16.922 -1.292 1.00 0.00 H new ATOM 1229 N ARG A 78 -10.720 -18.045 -4.129 1.00 0.00 N ATOM 1230 CA ARG A 78 -9.794 -17.751 -5.217 1.00 0.00 C ATOM 1231 C ARG A 78 -9.750 -16.253 -5.504 1.00 0.00 C ATOM 1232 O ARG A 78 -8.676 -15.653 -5.557 1.00 0.00 O ATOM 1233 CB ARG A 78 -10.201 -18.511 -6.481 1.00 0.00 C ATOM 1234 CG ARG A 78 -9.614 -19.910 -6.566 1.00 0.00 C ATOM 1235 CD ARG A 78 -9.617 -20.430 -7.995 1.00 0.00 C ATOM 1236 NE ARG A 78 -9.302 -21.855 -8.060 1.00 0.00 N ATOM 1237 CZ ARG A 78 -10.170 -22.814 -7.756 1.00 0.00 C ATOM 1238 NH1 ARG A 78 -11.399 -22.502 -7.369 1.00 0.00 N ATOM 1239 NH2 ARG A 78 -9.809 -24.088 -7.840 1.00 0.00 N ATOM 0 H ARG A 78 -11.483 -18.673 -4.382 1.00 0.00 H new ATOM 0 HA ARG A 78 -8.799 -18.074 -4.911 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -11.288 -18.579 -6.519 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -9.886 -17.940 -7.355 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -8.594 -19.901 -6.183 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -10.187 -20.585 -5.931 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -10.595 -20.254 -8.443 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -8.891 -19.871 -8.586 1.00 0.00 H new ATOM 0 HE ARG A 78 -8.365 -22.129 -8.355 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -11.680 -21.524 -7.304 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -12.063 -23.240 -7.136 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -8.865 -24.332 -8.138 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -10.476 -24.824 -7.606 1.00 0.00 H new ATOM 1253 N ASP A 79 -10.922 -15.657 -5.688 1.00 0.00 N ATOM 1254 CA ASP A 79 -11.018 -14.229 -5.968 1.00 0.00 C ATOM 1255 C ASP A 79 -10.314 -13.414 -4.888 1.00 0.00 C ATOM 1256 O ASP A 79 -10.058 -12.223 -5.061 1.00 0.00 O ATOM 1257 CB ASP A 79 -12.484 -13.804 -6.070 1.00 0.00 C ATOM 1258 CG ASP A 79 -13.315 -14.782 -6.877 1.00 0.00 C ATOM 1259 OD1 ASP A 79 -12.961 -15.036 -8.048 1.00 0.00 O ATOM 1260 OD2 ASP A 79 -14.320 -15.293 -6.339 1.00 0.00 O ATOM 0 H ASP A 79 -11.819 -16.140 -5.648 1.00 0.00 H new ATOM 0 HA ASP A 79 -10.525 -14.038 -6.921 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -12.904 -13.715 -5.068 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -12.542 -12.817 -6.529 1.00 0.00 H new ATOM 1265 N GLY A 80 -10.003 -14.065 -3.771 1.00 0.00 N ATOM 1266 CA GLY A 80 -9.332 -13.385 -2.678 1.00 0.00 C ATOM 1267 C GLY A 80 -7.847 -13.211 -2.928 1.00 0.00 C ATOM 1268 O GLY A 80 -7.223 -12.295 -2.391 1.00 0.00 O ATOM 0 H GLY A 80 -10.204 -15.051 -3.603 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -9.789 -12.407 -2.527 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -9.479 -13.950 -1.758 1.00 0.00 H new ATOM 1272 N LEU A 81 -7.279 -14.092 -3.743 1.00 0.00 N ATOM 1273 CA LEU A 81 -5.856 -14.033 -4.062 1.00 0.00 C ATOM 1274 C LEU A 81 -5.450 -12.623 -4.477 1.00 0.00 C ATOM 1275 O LEU A 81 -6.038 -12.037 -5.387 1.00 0.00 O ATOM 1276 CB LEU A 81 -5.523 -15.022 -5.181 1.00 0.00 C ATOM 1277 CG LEU A 81 -5.203 -16.451 -4.740 1.00 0.00 C ATOM 1278 CD1 LEU A 81 -6.129 -16.882 -3.613 1.00 0.00 C ATOM 1279 CD2 LEU A 81 -5.311 -17.409 -5.917 1.00 0.00 C ATOM 0 H LEU A 81 -7.781 -14.856 -4.195 1.00 0.00 H new ATOM 0 HA LEU A 81 -5.296 -14.304 -3.167 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -6.366 -15.056 -5.871 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -4.670 -14.635 -5.739 1.00 0.00 H new ATOM 0 HG LEU A 81 -4.178 -16.476 -4.370 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -5.886 -17.901 -3.312 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -6.002 -16.213 -2.762 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -7.163 -16.841 -3.956 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -5.080 -18.421 -5.585 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -6.324 -17.381 -6.317 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -4.606 -17.112 -6.694 1.00 0.00 H new ATOM 1291 N LEU A 82 -4.438 -12.083 -3.806 1.00 0.00 N ATOM 1292 CA LEU A 82 -3.950 -10.741 -4.106 1.00 0.00 C ATOM 1293 C LEU A 82 -2.427 -10.721 -4.187 1.00 0.00 C ATOM 1294 O LEU A 82 -1.738 -10.992 -3.202 1.00 0.00 O ATOM 1295 CB LEU A 82 -4.429 -9.753 -3.041 1.00 0.00 C ATOM 1296 CG LEU A 82 -3.574 -8.499 -2.857 1.00 0.00 C ATOM 1297 CD1 LEU A 82 -3.757 -7.551 -4.032 1.00 0.00 C ATOM 1298 CD2 LEU A 82 -3.923 -7.803 -1.549 1.00 0.00 C ATOM 0 H LEU A 82 -3.940 -12.554 -3.051 1.00 0.00 H new ATOM 0 HA LEU A 82 -4.351 -10.443 -5.075 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -5.444 -9.443 -3.291 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -4.482 -10.276 -2.086 1.00 0.00 H new ATOM 0 HG LEU A 82 -2.527 -8.799 -2.818 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -3.141 -6.664 -3.883 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -3.457 -8.051 -4.953 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -4.804 -7.257 -4.103 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -3.305 -6.913 -1.434 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -4.974 -7.516 -1.559 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -3.740 -8.481 -0.716 1.00 0.00 H new ATOM 1310 N THR A 83 -1.906 -10.397 -5.366 1.00 0.00 N ATOM 1311 CA THR A 83 -0.465 -10.340 -5.575 1.00 0.00 C ATOM 1312 C THR A 83 -0.031 -8.955 -6.040 1.00 0.00 C ATOM 1313 O THR A 83 -0.703 -8.324 -6.856 1.00 0.00 O ATOM 1314 CB THR A 83 -0.006 -11.384 -6.611 1.00 0.00 C ATOM 1315 OG1 THR A 83 -0.366 -12.699 -6.174 1.00 0.00 O ATOM 1316 CG2 THR A 83 1.498 -11.309 -6.825 1.00 0.00 C ATOM 0 H THR A 83 -2.461 -10.170 -6.191 1.00 0.00 H new ATOM 0 HA THR A 83 0.002 -10.561 -4.615 1.00 0.00 H new ATOM 0 HB THR A 83 -0.503 -11.167 -7.557 1.00 0.00 H new ATOM 0 HG1 THR A 83 -0.845 -13.163 -6.892 1.00 0.00 H new ATOM 0 HG21 THR A 83 1.799 -12.055 -7.560 1.00 0.00 H new ATOM 0 HG22 THR A 83 1.765 -10.316 -7.186 1.00 0.00 H new ATOM 0 HG23 THR A 83 2.010 -11.502 -5.882 1.00 0.00 H new ATOM 1324 N VAL A 84 1.097 -8.486 -5.517 1.00 0.00 N ATOM 1325 CA VAL A 84 1.622 -7.176 -5.880 1.00 0.00 C ATOM 1326 C VAL A 84 2.982 -7.297 -6.557 1.00 0.00 C ATOM 1327 O VAL A 84 3.742 -8.225 -6.285 1.00 0.00 O ATOM 1328 CB VAL A 84 1.755 -6.263 -4.646 1.00 0.00 C ATOM 1329 CG1 VAL A 84 2.176 -4.861 -5.061 1.00 0.00 C ATOM 1330 CG2 VAL A 84 0.449 -6.227 -3.867 1.00 0.00 C ATOM 0 H VAL A 84 1.665 -8.995 -4.840 1.00 0.00 H new ATOM 0 HA VAL A 84 0.911 -6.732 -6.577 1.00 0.00 H new ATOM 0 HB VAL A 84 2.529 -6.671 -3.996 1.00 0.00 H new ATOM 0 HG11 VAL A 84 2.265 -4.231 -4.176 1.00 0.00 H new ATOM 0 HG12 VAL A 84 3.138 -4.906 -5.572 1.00 0.00 H new ATOM 0 HG13 VAL A 84 1.428 -4.440 -5.733 1.00 0.00 H new ATOM 0 HG21 VAL A 84 0.561 -5.578 -2.999 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -0.346 -5.844 -4.507 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.195 -7.234 -3.536 1.00 0.00 H new ATOM 1340 N ASN A 85 3.283 -6.351 -7.442 1.00 0.00 N ATOM 1341 CA ASN A 85 4.553 -6.352 -8.160 1.00 0.00 C ATOM 1342 C ASN A 85 5.385 -5.126 -7.794 1.00 0.00 C ATOM 1343 O ASN A 85 4.954 -3.989 -7.989 1.00 0.00 O ATOM 1344 CB ASN A 85 4.309 -6.385 -9.670 1.00 0.00 C ATOM 1345 CG ASN A 85 4.135 -7.796 -10.197 1.00 0.00 C ATOM 1346 OD1 ASN A 85 5.011 -8.328 -10.880 1.00 0.00 O ATOM 1347 ND2 ASN A 85 3.001 -8.410 -9.881 1.00 0.00 N ATOM 0 H ASN A 85 2.665 -5.575 -7.679 1.00 0.00 H new ATOM 0 HA ASN A 85 5.106 -7.245 -7.869 1.00 0.00 H new ATOM 0 HB2 ASN A 85 3.419 -5.800 -9.904 1.00 0.00 H new ATOM 0 HB3 ASN A 85 5.146 -5.910 -10.181 1.00 0.00 H new ATOM 0 HD21 ASN A 85 2.828 -9.361 -10.207 1.00 0.00 H new ATOM 0 HD22 ASN A 85 2.303 -7.931 -9.312 1.00 0.00 H new ATOM 1354 N LEU A 86 6.579 -5.366 -7.263 1.00 0.00 N ATOM 1355 CA LEU A 86 7.473 -4.282 -6.871 1.00 0.00 C ATOM 1356 C LEU A 86 8.595 -4.106 -7.888 1.00 0.00 C ATOM 1357 O LEU A 86 9.144 -5.084 -8.397 1.00 0.00 O ATOM 1358 CB LEU A 86 8.062 -4.557 -5.486 1.00 0.00 C ATOM 1359 CG LEU A 86 7.053 -4.798 -4.363 1.00 0.00 C ATOM 1360 CD1 LEU A 86 7.765 -5.226 -3.089 1.00 0.00 C ATOM 1361 CD2 LEU A 86 6.220 -3.549 -4.117 1.00 0.00 C ATOM 0 H LEU A 86 6.950 -6.301 -7.094 1.00 0.00 H new ATOM 0 HA LEU A 86 6.893 -3.360 -6.836 1.00 0.00 H new ATOM 0 HB2 LEU A 86 8.712 -5.429 -5.556 1.00 0.00 H new ATOM 0 HB3 LEU A 86 8.691 -3.712 -5.207 1.00 0.00 H new ATOM 0 HG LEU A 86 6.383 -5.602 -4.668 1.00 0.00 H new ATOM 0 HD11 LEU A 86 7.031 -5.393 -2.301 1.00 0.00 H new ATOM 0 HD12 LEU A 86 8.317 -6.148 -3.273 1.00 0.00 H new ATOM 0 HD13 LEU A 86 8.458 -4.444 -2.779 1.00 0.00 H new ATOM 0 HD21 LEU A 86 5.507 -3.739 -3.314 1.00 0.00 H new ATOM 0 HD22 LEU A 86 6.875 -2.725 -3.833 1.00 0.00 H new ATOM 0 HD23 LEU A 86 5.680 -3.287 -5.027 1.00 0.00 H new ATOM 1373 N ARG A 87 8.933 -2.854 -8.179 1.00 0.00 N ATOM 1374 CA ARG A 87 9.991 -2.551 -9.135 1.00 0.00 C ATOM 1375 C ARG A 87 11.316 -3.164 -8.692 1.00 0.00 C ATOM 1376 O ARG A 87 11.999 -3.820 -9.477 1.00 0.00 O ATOM 1377 CB ARG A 87 10.145 -1.037 -9.294 1.00 0.00 C ATOM 1378 CG ARG A 87 8.982 -0.379 -10.020 1.00 0.00 C ATOM 1379 CD ARG A 87 9.348 1.012 -10.513 1.00 0.00 C ATOM 1380 NE ARG A 87 9.907 1.841 -9.448 1.00 0.00 N ATOM 1381 CZ ARG A 87 10.438 3.040 -9.653 1.00 0.00 C ATOM 1382 NH1 ARG A 87 10.483 3.549 -10.876 1.00 0.00 N ATOM 1383 NH2 ARG A 87 10.926 3.734 -8.632 1.00 0.00 N ATOM 0 H ARG A 87 8.489 -2.033 -7.766 1.00 0.00 H new ATOM 0 HA ARG A 87 9.713 -2.984 -10.096 1.00 0.00 H new ATOM 0 HB2 ARG A 87 10.249 -0.585 -8.307 1.00 0.00 H new ATOM 0 HB3 ARG A 87 11.066 -0.829 -9.838 1.00 0.00 H new ATOM 0 HG2 ARG A 87 8.682 -0.998 -10.865 1.00 0.00 H new ATOM 0 HG3 ARG A 87 8.124 -0.315 -9.351 1.00 0.00 H new ATOM 0 HD2 ARG A 87 10.070 0.930 -11.325 1.00 0.00 H new ATOM 0 HD3 ARG A 87 8.461 1.497 -10.922 1.00 0.00 H new ATOM 0 HE ARG A 87 9.888 1.479 -8.495 1.00 0.00 H new ATOM 0 HH11 ARG A 87 10.109 3.019 -11.663 1.00 0.00 H new ATOM 0 HH12 ARG A 87 10.892 4.471 -11.030 1.00 0.00 H new ATOM 0 HH21 ARG A 87 10.893 3.346 -7.689 1.00 0.00 H new ATOM 0 HH22 ARG A 87 11.334 4.655 -8.790 1.00 0.00 H new ATOM 1397 N GLU A 88 11.672 -2.943 -7.430 1.00 0.00 N ATOM 1398 CA GLU A 88 12.916 -3.473 -6.885 1.00 0.00 C ATOM 1399 C GLU A 88 13.213 -4.858 -7.453 1.00 0.00 C ATOM 1400 O GLU A 88 14.370 -5.220 -7.661 1.00 0.00 O ATOM 1401 CB GLU A 88 12.840 -3.543 -5.358 1.00 0.00 C ATOM 1402 CG GLU A 88 11.650 -4.335 -4.843 1.00 0.00 C ATOM 1403 CD GLU A 88 11.640 -4.456 -3.331 1.00 0.00 C ATOM 1404 OE1 GLU A 88 12.130 -3.526 -2.658 1.00 0.00 O ATOM 1405 OE2 GLU A 88 11.142 -5.482 -2.822 1.00 0.00 O ATOM 0 H GLU A 88 11.117 -2.401 -6.767 1.00 0.00 H new ATOM 0 HA GLU A 88 13.724 -2.800 -7.172 1.00 0.00 H new ATOM 0 HB2 GLU A 88 13.757 -3.993 -4.977 1.00 0.00 H new ATOM 0 HB3 GLU A 88 12.792 -2.530 -4.958 1.00 0.00 H new ATOM 0 HG2 GLU A 88 10.729 -3.854 -5.171 1.00 0.00 H new ATOM 0 HG3 GLU A 88 11.664 -5.332 -5.283 1.00 0.00 H new ATOM 1412 N GLY A 89 12.158 -5.628 -7.702 1.00 0.00 N ATOM 1413 CA GLY A 89 12.327 -6.964 -8.244 1.00 0.00 C ATOM 1414 C GLY A 89 11.886 -8.042 -7.274 1.00 0.00 C ATOM 1415 O GLY A 89 12.633 -8.980 -6.996 1.00 0.00 O ATOM 0 H GLY A 89 11.190 -5.351 -7.538 1.00 0.00 H new ATOM 0 HA2 GLY A 89 11.754 -7.054 -9.167 1.00 0.00 H new ATOM 0 HA3 GLY A 89 13.375 -7.118 -8.502 1.00 0.00 H new ATOM 1419 N SER A 90 10.668 -7.909 -6.758 1.00 0.00 N ATOM 1420 CA SER A 90 10.130 -8.878 -5.809 1.00 0.00 C ATOM 1421 C SER A 90 8.626 -8.693 -5.639 1.00 0.00 C ATOM 1422 O SER A 90 8.166 -7.651 -5.172 1.00 0.00 O ATOM 1423 CB SER A 90 10.829 -8.739 -4.455 1.00 0.00 C ATOM 1424 OG SER A 90 10.697 -9.924 -3.689 1.00 0.00 O ATOM 0 H SER A 90 10.035 -7.141 -6.981 1.00 0.00 H new ATOM 0 HA SER A 90 10.313 -9.877 -6.204 1.00 0.00 H new ATOM 0 HB2 SER A 90 11.885 -8.517 -4.608 1.00 0.00 H new ATOM 0 HB3 SER A 90 10.403 -7.899 -3.907 1.00 0.00 H new ATOM 0 HG SER A 90 11.153 -9.810 -2.829 1.00 0.00 H new ATOM 1430 N ARG A 91 7.864 -9.713 -6.022 1.00 0.00 N ATOM 1431 CA ARG A 91 6.411 -9.664 -5.913 1.00 0.00 C ATOM 1432 C ARG A 91 5.953 -10.117 -4.530 1.00 0.00 C ATOM 1433 O ARG A 91 6.678 -10.818 -3.823 1.00 0.00 O ATOM 1434 CB ARG A 91 5.768 -10.544 -6.988 1.00 0.00 C ATOM 1435 CG ARG A 91 6.096 -12.021 -6.842 1.00 0.00 C ATOM 1436 CD ARG A 91 6.091 -12.728 -8.188 1.00 0.00 C ATOM 1437 NE ARG A 91 7.399 -12.683 -8.835 1.00 0.00 N ATOM 1438 CZ ARG A 91 8.466 -13.331 -8.381 1.00 0.00 C ATOM 1439 NH1 ARG A 91 8.380 -14.070 -7.284 1.00 0.00 N ATOM 1440 NH2 ARG A 91 9.623 -13.241 -9.026 1.00 0.00 N ATOM 0 H ARG A 91 8.229 -10.583 -6.410 1.00 0.00 H new ATOM 0 HA ARG A 91 6.096 -8.631 -6.061 1.00 0.00 H new ATOM 0 HB2 ARG A 91 4.686 -10.415 -6.952 1.00 0.00 H new ATOM 0 HB3 ARG A 91 6.097 -10.203 -7.970 1.00 0.00 H new ATOM 0 HG2 ARG A 91 7.074 -12.133 -6.374 1.00 0.00 H new ATOM 0 HG3 ARG A 91 5.370 -12.492 -6.179 1.00 0.00 H new ATOM 0 HD2 ARG A 91 5.790 -13.767 -8.051 1.00 0.00 H new ATOM 0 HD3 ARG A 91 5.349 -12.264 -8.838 1.00 0.00 H new ATOM 0 HE ARG A 91 7.499 -12.123 -9.682 1.00 0.00 H new ATOM 0 HH11 ARG A 91 7.493 -14.142 -6.786 1.00 0.00 H new ATOM 0 HH12 ARG A 91 9.201 -14.566 -6.938 1.00 0.00 H new ATOM 0 HH21 ARG A 91 9.693 -12.674 -9.871 1.00 0.00 H new ATOM 0 HH22 ARG A 91 10.442 -13.739 -8.677 1.00 0.00 H new ATOM 1454 N LEU A 92 4.747 -9.711 -4.149 1.00 0.00 N ATOM 1455 CA LEU A 92 4.192 -10.073 -2.850 1.00 0.00 C ATOM 1456 C LEU A 92 2.989 -10.997 -3.010 1.00 0.00 C ATOM 1457 O LEU A 92 2.008 -10.647 -3.667 1.00 0.00 O ATOM 1458 CB LEU A 92 3.787 -8.817 -2.078 1.00 0.00 C ATOM 1459 CG LEU A 92 4.871 -8.187 -1.203 1.00 0.00 C ATOM 1460 CD1 LEU A 92 4.542 -6.731 -0.911 1.00 0.00 C ATOM 1461 CD2 LEU A 92 5.033 -8.970 0.092 1.00 0.00 C ATOM 0 H LEU A 92 4.134 -9.130 -4.722 1.00 0.00 H new ATOM 0 HA LEU A 92 4.961 -10.603 -2.289 1.00 0.00 H new ATOM 0 HB2 LEU A 92 3.446 -8.069 -2.794 1.00 0.00 H new ATOM 0 HB3 LEU A 92 2.935 -9.063 -1.445 1.00 0.00 H new ATOM 0 HG LEU A 92 5.816 -8.222 -1.746 1.00 0.00 H new ATOM 0 HD11 LEU A 92 5.325 -6.299 -0.287 1.00 0.00 H new ATOM 0 HD12 LEU A 92 4.478 -6.177 -1.848 1.00 0.00 H new ATOM 0 HD13 LEU A 92 3.587 -6.671 -0.389 1.00 0.00 H new ATOM 0 HD21 LEU A 92 5.809 -8.507 0.702 1.00 0.00 H new ATOM 0 HD22 LEU A 92 4.090 -8.967 0.639 1.00 0.00 H new ATOM 0 HD23 LEU A 92 5.316 -9.997 -0.137 1.00 0.00 H new ATOM 1473 N HIS A 93 3.070 -12.177 -2.404 1.00 0.00 N ATOM 1474 CA HIS A 93 1.985 -13.150 -2.477 1.00 0.00 C ATOM 1475 C HIS A 93 1.099 -13.069 -1.238 1.00 0.00 C ATOM 1476 O HIS A 93 1.525 -13.407 -0.133 1.00 0.00 O ATOM 1477 CB HIS A 93 2.549 -14.563 -2.623 1.00 0.00 C ATOM 1478 CG HIS A 93 3.300 -14.779 -3.901 1.00 0.00 C ATOM 1479 ND1 HIS A 93 2.953 -15.439 -5.031 1.00 0.00 N flip ATOM 1480 CD2 HIS A 93 4.570 -14.289 -4.121 1.00 0.00 C flip ATOM 1481 CE1 HIS A 93 4.008 -15.335 -5.904 1.00 0.00 C flip ATOM 1482 NE2 HIS A 93 4.971 -14.636 -5.331 1.00 0.00 N flip ATOM 0 H HIS A 93 3.875 -12.483 -1.857 1.00 0.00 H new ATOM 0 HA HIS A 93 1.378 -12.917 -3.352 1.00 0.00 H new ATOM 0 HB2 HIS A 93 3.212 -14.770 -1.782 1.00 0.00 H new ATOM 0 HB3 HIS A 93 1.730 -15.280 -2.567 1.00 0.00 H new ATOM 0 HD1 HIS A 93 2.072 -15.923 -5.202 1.00 0.00 H new ATOM 0 HD2 HIS A 93 5.147 -13.711 -3.414 1.00 0.00 H new ATOM 0 HE1 HIS A 93 4.044 -15.756 -6.898 1.00 0.00 H new ATOM 1491 N LEU A 94 -0.136 -12.619 -1.429 1.00 0.00 N ATOM 1492 CA LEU A 94 -1.084 -12.493 -0.327 1.00 0.00 C ATOM 1493 C LEU A 94 -2.450 -13.047 -0.717 1.00 0.00 C ATOM 1494 O LEU A 94 -2.724 -13.278 -1.895 1.00 0.00 O ATOM 1495 CB LEU A 94 -1.216 -11.028 0.093 1.00 0.00 C ATOM 1496 CG LEU A 94 0.089 -10.304 0.424 1.00 0.00 C ATOM 1497 CD1 LEU A 94 -0.117 -8.797 0.410 1.00 0.00 C ATOM 1498 CD2 LEU A 94 0.624 -10.758 1.774 1.00 0.00 C ATOM 0 H LEU A 94 -0.505 -12.335 -2.337 1.00 0.00 H new ATOM 0 HA LEU A 94 -0.704 -13.073 0.514 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -1.716 -10.485 -0.709 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -1.867 -10.978 0.966 1.00 0.00 H new ATOM 0 HG LEU A 94 0.825 -10.556 -0.340 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.823 -8.299 0.648 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.453 -8.485 -0.579 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -0.869 -8.526 1.151 1.00 0.00 H new ATOM 0 HD21 LEU A 94 1.553 -10.232 1.993 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -0.109 -10.536 2.549 1.00 0.00 H new ATOM 0 HD23 LEU A 94 0.812 -11.831 1.749 1.00 0.00 H new ATOM 1510 N CYS A 95 -3.304 -13.256 0.279 1.00 0.00 N ATOM 1511 CA CYS A 95 -4.644 -13.782 0.039 1.00 0.00 C ATOM 1512 C CYS A 95 -5.668 -13.087 0.930 1.00 0.00 C ATOM 1513 O CYS A 95 -5.580 -13.146 2.156 1.00 0.00 O ATOM 1514 CB CYS A 95 -4.673 -15.291 0.288 1.00 0.00 C ATOM 1515 SG CYS A 95 -6.323 -15.951 0.626 1.00 0.00 S ATOM 0 H CYS A 95 -3.093 -13.070 1.259 1.00 0.00 H new ATOM 0 HA CYS A 95 -4.904 -13.588 -1.002 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -4.261 -15.800 -0.583 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -4.021 -15.522 1.130 1.00 0.00 H new ATOM 0 HG CYS A 95 -6.246 -17.234 0.822 1.00 0.00 H new ATOM 1521 N ALA A 96 -6.638 -12.428 0.305 1.00 0.00 N ATOM 1522 CA ALA A 96 -7.679 -11.721 1.041 1.00 0.00 C ATOM 1523 C ALA A 96 -8.866 -12.635 1.324 1.00 0.00 C ATOM 1524 O ALA A 96 -9.006 -13.693 0.713 1.00 0.00 O ATOM 1525 CB ALA A 96 -8.129 -10.491 0.267 1.00 0.00 C ATOM 0 H ALA A 96 -6.725 -12.369 -0.710 1.00 0.00 H new ATOM 0 HA ALA A 96 -7.263 -11.402 1.997 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -8.907 -9.972 0.828 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -7.280 -9.823 0.120 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -8.523 -10.795 -0.703 1.00 0.00 H new ATOM 1531 N GLU A 97 -9.719 -12.218 2.255 1.00 0.00 N ATOM 1532 CA GLU A 97 -10.894 -13.001 2.620 1.00 0.00 C ATOM 1533 C GLU A 97 -11.929 -12.983 1.499 1.00 0.00 C ATOM 1534 O GLU A 97 -12.599 -13.984 1.240 1.00 0.00 O ATOM 1535 CB GLU A 97 -11.514 -12.460 3.910 1.00 0.00 C ATOM 1536 CG GLU A 97 -11.873 -10.985 3.841 1.00 0.00 C ATOM 1537 CD GLU A 97 -12.311 -10.428 5.181 1.00 0.00 C ATOM 1538 OE1 GLU A 97 -11.661 -10.746 6.198 1.00 0.00 O ATOM 1539 OE2 GLU A 97 -13.305 -9.672 5.212 1.00 0.00 O ATOM 0 H GLU A 97 -9.618 -11.343 2.770 1.00 0.00 H new ATOM 0 HA GLU A 97 -10.577 -14.031 2.782 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -12.412 -13.033 4.140 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -10.816 -12.617 4.732 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -11.012 -10.422 3.482 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -12.673 -10.843 3.114 1.00 0.00 H new ATOM 1546 N THR A 98 -12.054 -11.838 0.835 1.00 0.00 N ATOM 1547 CA THR A 98 -13.008 -11.689 -0.257 1.00 0.00 C ATOM 1548 C THR A 98 -12.491 -10.712 -1.308 1.00 0.00 C ATOM 1549 O THR A 98 -11.539 -9.971 -1.065 1.00 0.00 O ATOM 1550 CB THR A 98 -14.375 -11.199 0.255 1.00 0.00 C ATOM 1551 OG1 THR A 98 -14.294 -9.818 0.625 1.00 0.00 O ATOM 1552 CG2 THR A 98 -14.834 -12.023 1.448 1.00 0.00 C ATOM 0 H THR A 98 -11.507 -11.001 1.034 1.00 0.00 H new ATOM 0 HA THR A 98 -13.129 -12.674 -0.708 1.00 0.00 H new ATOM 0 HB THR A 98 -15.102 -11.317 -0.549 1.00 0.00 H new ATOM 0 HG1 THR A 98 -15.168 -9.514 0.948 1.00 0.00 H new ATOM 0 HG21 THR A 98 -15.802 -11.658 1.792 1.00 0.00 H new ATOM 0 HG22 THR A 98 -14.924 -13.069 1.155 1.00 0.00 H new ATOM 0 HG23 THR A 98 -14.106 -11.934 2.254 1.00 0.00 H new ATOM 1560 N ARG A 99 -13.126 -10.717 -2.476 1.00 0.00 N ATOM 1561 CA ARG A 99 -12.729 -9.831 -3.564 1.00 0.00 C ATOM 1562 C ARG A 99 -12.818 -8.370 -3.135 1.00 0.00 C ATOM 1563 O ARG A 99 -12.010 -7.540 -3.552 1.00 0.00 O ATOM 1564 CB ARG A 99 -13.613 -10.069 -4.790 1.00 0.00 C ATOM 1565 CG ARG A 99 -15.100 -9.946 -4.502 1.00 0.00 C ATOM 1566 CD ARG A 99 -15.924 -10.796 -5.457 1.00 0.00 C ATOM 1567 NE ARG A 99 -16.184 -10.107 -6.718 1.00 0.00 N ATOM 1568 CZ ARG A 99 -17.045 -10.545 -7.630 1.00 0.00 C ATOM 1569 NH1 ARG A 99 -17.724 -11.664 -7.423 1.00 0.00 N ATOM 1570 NH2 ARG A 99 -17.227 -9.862 -8.754 1.00 0.00 N ATOM 0 H ARG A 99 -13.917 -11.324 -2.693 1.00 0.00 H new ATOM 0 HA ARG A 99 -11.693 -10.053 -3.822 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -13.342 -9.354 -5.567 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -13.409 -11.064 -5.187 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -15.300 -10.253 -3.475 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -15.403 -8.903 -4.588 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -15.399 -11.730 -5.656 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -16.871 -11.057 -4.985 1.00 0.00 H new ATOM 0 HE ARG A 99 -15.677 -9.243 -6.909 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -17.586 -12.192 -6.561 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -18.384 -11.997 -8.125 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -16.706 -9.001 -8.917 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -17.888 -10.199 -9.454 1.00 0.00 H new ATOM 1584 N ASP A 100 -13.805 -8.062 -2.300 1.00 0.00 N ATOM 1585 CA ASP A 100 -13.999 -6.701 -1.814 1.00 0.00 C ATOM 1586 C ASP A 100 -12.745 -6.191 -1.112 1.00 0.00 C ATOM 1587 O ASP A 100 -12.222 -5.128 -1.448 1.00 0.00 O ATOM 1588 CB ASP A 100 -15.192 -6.644 -0.859 1.00 0.00 C ATOM 1589 CG ASP A 100 -15.786 -5.252 -0.757 1.00 0.00 C ATOM 1590 OD1 ASP A 100 -15.933 -4.592 -1.807 1.00 0.00 O ATOM 1591 OD2 ASP A 100 -16.103 -4.824 0.372 1.00 0.00 O ATOM 0 H ASP A 100 -14.483 -8.737 -1.946 1.00 0.00 H new ATOM 0 HA ASP A 100 -14.199 -6.060 -2.672 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -15.959 -7.339 -1.199 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -14.878 -6.975 0.131 1.00 0.00 H new ATOM 1596 N ASP A 101 -12.268 -6.954 -0.135 1.00 0.00 N ATOM 1597 CA ASP A 101 -11.074 -6.579 0.615 1.00 0.00 C ATOM 1598 C ASP A 101 -9.860 -6.493 -0.304 1.00 0.00 C ATOM 1599 O ASP A 101 -9.054 -5.569 -0.199 1.00 0.00 O ATOM 1600 CB ASP A 101 -10.812 -7.587 1.735 1.00 0.00 C ATOM 1601 CG ASP A 101 -11.597 -7.272 2.993 1.00 0.00 C ATOM 1602 OD1 ASP A 101 -12.751 -6.808 2.873 1.00 0.00 O ATOM 1603 OD2 ASP A 101 -11.059 -7.490 4.098 1.00 0.00 O ATOM 0 H ASP A 101 -12.689 -7.836 0.157 1.00 0.00 H new ATOM 0 HA ASP A 101 -11.244 -5.596 1.054 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -11.073 -8.587 1.388 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -9.747 -7.598 1.968 1.00 0.00 H new ATOM 1608 N ALA A 102 -9.734 -7.464 -1.202 1.00 0.00 N ATOM 1609 CA ALA A 102 -8.619 -7.498 -2.140 1.00 0.00 C ATOM 1610 C ALA A 102 -8.551 -6.214 -2.959 1.00 0.00 C ATOM 1611 O ALA A 102 -7.521 -5.539 -2.990 1.00 0.00 O ATOM 1612 CB ALA A 102 -8.737 -8.706 -3.057 1.00 0.00 C ATOM 0 H ALA A 102 -10.391 -8.238 -1.300 1.00 0.00 H new ATOM 0 HA ALA A 102 -7.696 -7.581 -1.566 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -7.898 -8.718 -3.752 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -8.728 -9.618 -2.460 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -9.671 -8.648 -3.617 1.00 0.00 H new ATOM 1618 N ILE A 103 -9.654 -5.882 -3.622 1.00 0.00 N ATOM 1619 CA ILE A 103 -9.718 -4.678 -4.441 1.00 0.00 C ATOM 1620 C ILE A 103 -9.301 -3.447 -3.644 1.00 0.00 C ATOM 1621 O ILE A 103 -8.549 -2.604 -4.132 1.00 0.00 O ATOM 1622 CB ILE A 103 -11.135 -4.455 -5.003 1.00 0.00 C ATOM 1623 CG1 ILE A 103 -11.546 -5.632 -5.891 1.00 0.00 C ATOM 1624 CG2 ILE A 103 -11.196 -3.150 -5.783 1.00 0.00 C ATOM 1625 CD1 ILE A 103 -13.039 -5.872 -5.922 1.00 0.00 C ATOM 0 H ILE A 103 -10.515 -6.429 -3.608 1.00 0.00 H new ATOM 0 HA ILE A 103 -9.025 -4.823 -5.270 1.00 0.00 H new ATOM 0 HB ILE A 103 -11.835 -4.391 -4.170 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -11.194 -5.451 -6.907 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -11.048 -6.535 -5.537 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -12.203 -3.006 -6.174 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -10.941 -2.320 -5.124 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -10.488 -3.187 -6.611 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -13.258 -6.720 -6.570 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -13.394 -6.085 -4.914 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -13.542 -4.984 -6.304 1.00 0.00 H new ATOM 1637 N ALA A 104 -9.792 -3.352 -2.413 1.00 0.00 N ATOM 1638 CA ALA A 104 -9.467 -2.226 -1.545 1.00 0.00 C ATOM 1639 C ALA A 104 -7.963 -1.977 -1.511 1.00 0.00 C ATOM 1640 O ALA A 104 -7.513 -0.831 -1.548 1.00 0.00 O ATOM 1641 CB ALA A 104 -9.995 -2.473 -0.140 1.00 0.00 C ATOM 0 H ALA A 104 -10.416 -4.041 -1.994 1.00 0.00 H new ATOM 0 HA ALA A 104 -9.948 -1.336 -1.950 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -9.745 -1.625 0.497 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -11.078 -2.595 -0.174 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -9.541 -3.377 0.266 1.00 0.00 H new ATOM 1647 N TRP A 105 -7.190 -3.055 -1.439 1.00 0.00 N ATOM 1648 CA TRP A 105 -5.736 -2.951 -1.399 1.00 0.00 C ATOM 1649 C TRP A 105 -5.187 -2.470 -2.738 1.00 0.00 C ATOM 1650 O TRP A 105 -4.303 -1.615 -2.786 1.00 0.00 O ATOM 1651 CB TRP A 105 -5.118 -4.303 -1.037 1.00 0.00 C ATOM 1652 CG TRP A 105 -5.017 -4.533 0.441 1.00 0.00 C ATOM 1653 CD1 TRP A 105 -5.710 -5.450 1.177 1.00 0.00 C ATOM 1654 CD2 TRP A 105 -4.174 -3.831 1.361 1.00 0.00 C ATOM 1655 NE1 TRP A 105 -5.349 -5.361 2.500 1.00 0.00 N ATOM 1656 CE2 TRP A 105 -4.408 -4.376 2.639 1.00 0.00 C ATOM 1657 CE3 TRP A 105 -3.244 -2.796 1.231 1.00 0.00 C ATOM 1658 CZ2 TRP A 105 -3.745 -3.920 3.775 1.00 0.00 C ATOM 1659 CZ3 TRP A 105 -2.587 -2.344 2.359 1.00 0.00 C ATOM 1660 CH2 TRP A 105 -2.840 -2.906 3.618 1.00 0.00 C ATOM 0 H TRP A 105 -7.546 -4.010 -1.407 1.00 0.00 H new ATOM 0 HA TRP A 105 -5.470 -2.221 -0.635 1.00 0.00 H new ATOM 0 HB2 TRP A 105 -5.716 -5.099 -1.481 1.00 0.00 H new ATOM 0 HB3 TRP A 105 -4.123 -4.369 -1.477 1.00 0.00 H new ATOM 0 HD1 TRP A 105 -6.435 -6.144 0.778 1.00 0.00 H new ATOM 0 HE1 TRP A 105 -5.722 -5.936 3.256 1.00 0.00 H new ATOM 0 HE3 TRP A 105 -3.042 -2.357 0.265 1.00 0.00 H new ATOM 0 HZ2 TRP A 105 -3.938 -4.351 4.746 1.00 0.00 H new ATOM 0 HZ3 TRP A 105 -1.867 -1.544 2.269 1.00 0.00 H new ATOM 0 HH2 TRP A 105 -2.310 -2.531 4.481 1.00 0.00 H new ATOM 1671 N LYS A 106 -5.717 -3.024 -3.823 1.00 0.00 N ATOM 1672 CA LYS A 106 -5.281 -2.651 -5.163 1.00 0.00 C ATOM 1673 C LYS A 106 -5.443 -1.151 -5.390 1.00 0.00 C ATOM 1674 O LYS A 106 -4.593 -0.510 -6.009 1.00 0.00 O ATOM 1675 CB LYS A 106 -6.078 -3.426 -6.215 1.00 0.00 C ATOM 1676 CG LYS A 106 -5.933 -2.868 -7.621 1.00 0.00 C ATOM 1677 CD LYS A 106 -6.243 -3.920 -8.673 1.00 0.00 C ATOM 1678 CE LYS A 106 -5.538 -3.618 -9.986 1.00 0.00 C ATOM 1679 NZ LYS A 106 -6.085 -4.431 -11.108 1.00 0.00 N ATOM 0 H LYS A 106 -6.450 -3.733 -3.800 1.00 0.00 H new ATOM 0 HA LYS A 106 -4.225 -2.903 -5.258 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -5.753 -4.467 -6.211 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -7.132 -3.420 -5.938 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -6.603 -2.018 -7.747 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -4.918 -2.498 -7.764 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -5.935 -4.901 -8.310 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -7.319 -3.965 -8.838 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -5.643 -2.559 -10.220 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -4.471 -3.816 -9.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -5.579 -4.196 -11.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -5.962 -5.442 -10.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -7.097 -4.223 -11.226 1.00 0.00 H new ATOM 1693 N THR A 107 -6.540 -0.596 -4.884 1.00 0.00 N ATOM 1694 CA THR A 107 -6.813 0.828 -5.031 1.00 0.00 C ATOM 1695 C THR A 107 -5.904 1.658 -4.132 1.00 0.00 C ATOM 1696 O THR A 107 -5.316 2.646 -4.571 1.00 0.00 O ATOM 1697 CB THR A 107 -8.282 1.155 -4.699 1.00 0.00 C ATOM 1698 OG1 THR A 107 -9.155 0.395 -5.541 1.00 0.00 O ATOM 1699 CG2 THR A 107 -8.559 2.640 -4.880 1.00 0.00 C ATOM 0 H THR A 107 -7.254 -1.111 -4.369 1.00 0.00 H new ATOM 0 HA THR A 107 -6.618 1.081 -6.073 1.00 0.00 H new ATOM 0 HB THR A 107 -8.464 0.892 -3.657 1.00 0.00 H new ATOM 0 HG1 THR A 107 -10.087 0.607 -5.323 1.00 0.00 H new ATOM 0 HG21 THR A 107 -9.602 2.847 -4.640 1.00 0.00 H new ATOM 0 HG22 THR A 107 -7.913 3.214 -4.216 1.00 0.00 H new ATOM 0 HG23 THR A 107 -8.361 2.924 -5.914 1.00 0.00 H new ATOM 1707 N ALA A 108 -5.792 1.250 -2.873 1.00 0.00 N ATOM 1708 CA ALA A 108 -4.951 1.955 -1.913 1.00 0.00 C ATOM 1709 C ALA A 108 -3.483 1.896 -2.322 1.00 0.00 C ATOM 1710 O ALA A 108 -2.704 2.797 -2.009 1.00 0.00 O ATOM 1711 CB ALA A 108 -5.137 1.372 -0.520 1.00 0.00 C ATOM 0 H ALA A 108 -6.273 0.435 -2.493 1.00 0.00 H new ATOM 0 HA ALA A 108 -5.256 3.001 -1.900 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -4.503 1.908 0.186 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -6.180 1.472 -0.220 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -4.861 0.317 -0.527 1.00 0.00 H new ATOM 1717 N LEU A 109 -3.111 0.829 -3.021 1.00 0.00 N ATOM 1718 CA LEU A 109 -1.735 0.652 -3.473 1.00 0.00 C ATOM 1719 C LEU A 109 -1.506 1.353 -4.808 1.00 0.00 C ATOM 1720 O LEU A 109 -0.605 2.181 -4.938 1.00 0.00 O ATOM 1721 CB LEU A 109 -1.408 -0.837 -3.602 1.00 0.00 C ATOM 1722 CG LEU A 109 -1.431 -1.644 -2.304 1.00 0.00 C ATOM 1723 CD1 LEU A 109 -1.499 -3.134 -2.603 1.00 0.00 C ATOM 1724 CD2 LEU A 109 -0.210 -1.325 -1.455 1.00 0.00 C ATOM 0 H LEU A 109 -3.743 0.074 -3.287 1.00 0.00 H new ATOM 0 HA LEU A 109 -1.074 1.100 -2.731 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -2.117 -1.285 -4.298 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -0.419 -0.934 -4.049 1.00 0.00 H new ATOM 0 HG LEU A 109 -2.322 -1.365 -1.742 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -1.515 -3.693 -1.667 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -2.405 -3.350 -3.170 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -0.627 -3.428 -3.187 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -0.244 -1.909 -0.535 1.00 0.00 H new ATOM 0 HD22 LEU A 109 0.694 -1.574 -2.010 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -0.204 -0.263 -1.210 1.00 0.00 H new ATOM 1736 N MET A 110 -2.328 1.016 -5.796 1.00 0.00 N ATOM 1737 CA MET A 110 -2.216 1.616 -7.121 1.00 0.00 C ATOM 1738 C MET A 110 -2.191 3.138 -7.027 1.00 0.00 C ATOM 1739 O MET A 110 -1.728 3.817 -7.944 1.00 0.00 O ATOM 1740 CB MET A 110 -3.380 1.167 -8.007 1.00 0.00 C ATOM 1741 CG MET A 110 -3.225 -0.247 -8.542 1.00 0.00 C ATOM 1742 SD MET A 110 -2.363 -0.301 -10.125 1.00 0.00 S ATOM 1743 CE MET A 110 -0.727 -0.809 -9.602 1.00 0.00 C ATOM 0 H MET A 110 -3.078 0.331 -5.705 1.00 0.00 H new ATOM 0 HA MET A 110 -1.279 1.281 -7.567 1.00 0.00 H new ATOM 0 HB2 MET A 110 -4.306 1.231 -7.436 1.00 0.00 H new ATOM 0 HB3 MET A 110 -3.474 1.856 -8.846 1.00 0.00 H new ATOM 0 HG2 MET A 110 -2.679 -0.848 -7.815 1.00 0.00 H new ATOM 0 HG3 MET A 110 -4.211 -0.699 -8.654 1.00 0.00 H new ATOM 0 HE1 MET A 110 -0.193 -1.242 -10.448 1.00 0.00 H new ATOM 0 HE2 MET A 110 -0.178 0.057 -9.231 1.00 0.00 H new ATOM 0 HE3 MET A 110 -0.813 -1.551 -8.808 1.00 0.00 H new ATOM 1753 N GLU A 111 -2.691 3.667 -5.915 1.00 0.00 N ATOM 1754 CA GLU A 111 -2.725 5.110 -5.705 1.00 0.00 C ATOM 1755 C GLU A 111 -1.388 5.614 -5.169 1.00 0.00 C ATOM 1756 O GLU A 111 -0.689 6.377 -5.834 1.00 0.00 O ATOM 1757 CB GLU A 111 -3.848 5.479 -4.733 1.00 0.00 C ATOM 1758 CG GLU A 111 -5.182 5.738 -5.415 1.00 0.00 C ATOM 1759 CD GLU A 111 -5.115 6.879 -6.411 1.00 0.00 C ATOM 1760 OE1 GLU A 111 -4.708 7.991 -6.013 1.00 0.00 O ATOM 1761 OE2 GLU A 111 -5.471 6.662 -7.588 1.00 0.00 O ATOM 0 H GLU A 111 -3.078 3.119 -5.146 1.00 0.00 H new ATOM 0 HA GLU A 111 -2.914 5.587 -6.667 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -3.970 4.673 -4.009 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -3.556 6.368 -4.174 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -5.506 4.832 -5.927 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -5.935 5.964 -4.659 1.00 0.00 H new ATOM 1768 N ALA A 112 -1.041 5.181 -3.961 1.00 0.00 N ATOM 1769 CA ALA A 112 0.212 5.587 -3.335 1.00 0.00 C ATOM 1770 C ALA A 112 1.380 5.446 -4.305 1.00 0.00 C ATOM 1771 O ALA A 112 2.364 6.179 -4.216 1.00 0.00 O ATOM 1772 CB ALA A 112 0.464 4.766 -2.079 1.00 0.00 C ATOM 0 H ALA A 112 -1.610 4.550 -3.397 1.00 0.00 H new ATOM 0 HA ALA A 112 0.128 6.638 -3.058 1.00 0.00 H new ATOM 0 HB1 ALA A 112 1.403 5.079 -1.622 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -0.353 4.920 -1.374 1.00 0.00 H new ATOM 0 HB3 ALA A 112 0.523 3.710 -2.341 1.00 0.00 H new ATOM 1778 N ASN A 113 1.264 4.500 -5.231 1.00 0.00 N ATOM 1779 CA ASN A 113 2.312 4.262 -6.217 1.00 0.00 C ATOM 1780 C ASN A 113 2.400 5.420 -7.207 1.00 0.00 C ATOM 1781 O ASN A 113 3.491 5.832 -7.600 1.00 0.00 O ATOM 1782 CB ASN A 113 2.050 2.955 -6.967 1.00 0.00 C ATOM 1783 CG ASN A 113 2.622 2.969 -8.371 1.00 0.00 C ATOM 1784 OD1 ASN A 113 3.808 2.711 -8.573 1.00 0.00 O ATOM 1785 ND2 ASN A 113 1.777 3.271 -9.351 1.00 0.00 N ATOM 0 H ASN A 113 0.455 3.886 -5.319 1.00 0.00 H new ATOM 0 HA ASN A 113 3.262 4.185 -5.688 1.00 0.00 H new ATOM 0 HB2 ASN A 113 2.485 2.126 -6.409 1.00 0.00 H new ATOM 0 HB3 ASN A 113 0.976 2.777 -7.017 1.00 0.00 H new ATOM 0 HD21 ASN A 113 2.104 3.296 -10.317 1.00 0.00 H new ATOM 0 HD22 ASN A 113 0.801 3.478 -9.137 1.00 0.00 H new ATOM 1792 N SER A 114 1.244 5.941 -7.604 1.00 0.00 N ATOM 1793 CA SER A 114 1.189 7.049 -8.550 1.00 0.00 C ATOM 1794 C SER A 114 0.605 8.296 -7.893 1.00 0.00 C ATOM 1795 O SER A 114 -0.191 9.016 -8.497 1.00 0.00 O ATOM 1796 CB SER A 114 0.353 6.664 -9.772 1.00 0.00 C ATOM 1797 OG SER A 114 1.088 5.828 -10.649 1.00 0.00 O ATOM 0 H SER A 114 0.332 5.613 -7.285 1.00 0.00 H new ATOM 0 HA SER A 114 2.207 7.271 -8.871 1.00 0.00 H new ATOM 0 HB2 SER A 114 -0.553 6.151 -9.450 1.00 0.00 H new ATOM 0 HB3 SER A 114 0.039 7.564 -10.300 1.00 0.00 H new ATOM 0 HG SER A 114 0.532 5.594 -11.421 1.00 0.00 H new ATOM 1803 N THR A 115 1.006 8.546 -6.650 1.00 0.00 N ATOM 1804 CA THR A 115 0.523 9.704 -5.909 1.00 0.00 C ATOM 1805 C THR A 115 1.498 10.097 -4.806 1.00 0.00 C ATOM 1806 O THR A 115 1.592 9.445 -3.766 1.00 0.00 O ATOM 1807 CB THR A 115 -0.859 9.435 -5.285 1.00 0.00 C ATOM 1808 OG1 THR A 115 -1.849 9.323 -6.314 1.00 0.00 O ATOM 1809 CG2 THR A 115 -1.244 10.547 -4.322 1.00 0.00 C ATOM 0 H THR A 115 1.665 7.961 -6.136 1.00 0.00 H new ATOM 0 HA THR A 115 0.438 10.523 -6.623 1.00 0.00 H new ATOM 0 HB THR A 115 -0.806 8.498 -4.730 1.00 0.00 H new ATOM 0 HG1 THR A 115 -1.413 9.351 -7.191 1.00 0.00 H new ATOM 0 HG21 THR A 115 -2.224 10.335 -3.894 1.00 0.00 H new ATOM 0 HG22 THR A 115 -0.505 10.609 -3.523 1.00 0.00 H new ATOM 0 HG23 THR A 115 -1.280 11.496 -4.857 1.00 0.00 H new ATOM 1817 N PRO A 116 2.243 11.189 -5.035 1.00 0.00 N ATOM 1818 CA PRO A 116 3.225 11.694 -4.070 1.00 0.00 C ATOM 1819 C PRO A 116 2.566 12.284 -2.828 1.00 0.00 C ATOM 1820 O PRO A 116 1.343 12.255 -2.689 1.00 0.00 O ATOM 1821 CB PRO A 116 3.962 12.784 -4.853 1.00 0.00 C ATOM 1822 CG PRO A 116 2.989 13.231 -5.889 1.00 0.00 C ATOM 1823 CD PRO A 116 2.184 12.015 -6.253 1.00 0.00 C ATOM 0 HA PRO A 116 3.876 10.903 -3.698 1.00 0.00 H new ATOM 0 HB2 PRO A 116 4.255 13.609 -4.203 1.00 0.00 H new ATOM 0 HB3 PRO A 116 4.874 12.397 -5.307 1.00 0.00 H new ATOM 0 HG2 PRO A 116 2.347 14.024 -5.505 1.00 0.00 H new ATOM 0 HG3 PRO A 116 3.505 13.633 -6.761 1.00 0.00 H new ATOM 0 HD2 PRO A 116 1.158 12.275 -6.512 1.00 0.00 H new ATOM 0 HD3 PRO A 116 2.608 11.495 -7.112 1.00 0.00 H new