USER MOD reduce.3.24.130724 H: found=0, std=0, add=812, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 807 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 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 82 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 45 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 50 ASN : amide:sc= 0.933 K(o=-8,f=-14!) USER MOD Set 3.2: A 53 ASN : amide:sc= -8.92! C(o=-8!,f=-30!) USER MOD Single : A 1 GLY N :NH3+ -125:sc= 0.0651 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 32:sc= 0.0653 USER MOD Single : A 6 SER OG : rot 31:sc= 0.876 USER MOD Single : A 9 GLN : amide:sc= -0.482 X(o=-0.48,f=-0.15) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 72:sc= 1.24 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 HIS : no HD1:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN :FLIP amide:sc= -0.967 F(o=-2!,f=-0.97) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= -0.0163 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 149:sc= -0.2 (180deg=-1.42!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 149:sc= -0.213 (180deg=-1.11!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 HIS : no HD1:sc= -2.87! C(o=-2.9!,f=-6.3!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= -5.04! C(o=-5!,f=-6.2!) USER MOD Single : A 65 ASN : amide:sc= -0.0228 X(o=-0.023,f=0) USER MOD Single : A 67 HIS :FLIP no HD1:sc= -4.49! C(o=-5.5!,f=-4.5!) USER MOD Single : A 71 THR OG1 : rot -75:sc= 0.805 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= -2.24 K(o=-2.2,f=-7.6!) USER MOD Single : A 79 TYR OH : rot 150:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= -2.24 K(o=-2.2,f=-8.9!) USER MOD Single : A 97 ASN : amide:sc=-0.00117 X(o=-0.0012,f=-0.014) USER MOD Single : A 99 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 12:sc= 1.22 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 6.614 -13.558 2.822 1.00 0.00 N ATOM 2 CA GLY A 1 7.163 -14.615 3.652 1.00 0.00 C ATOM 3 C GLY A 1 8.137 -15.497 2.898 1.00 0.00 C ATOM 4 O GLY A 1 8.556 -15.166 1.789 1.00 0.00 O ATOM 0 H1 GLY A 1 6.784 -12.637 3.275 1.00 0.00 H new ATOM 0 H2 GLY A 1 7.074 -13.575 1.889 1.00 0.00 H new ATOM 0 H3 GLY A 1 5.591 -13.703 2.706 1.00 0.00 H new ATOM 0 HA2 GLY A 1 7.668 -14.173 4.511 1.00 0.00 H new ATOM 0 HA3 GLY A 1 6.349 -15.227 4.041 1.00 0.00 H new ATOM 8 N SER A 2 8.502 -16.624 3.502 1.00 0.00 N ATOM 9 CA SER A 2 9.438 -17.555 2.883 1.00 0.00 C ATOM 10 C SER A 2 8.848 -18.960 2.823 1.00 0.00 C ATOM 11 O SER A 2 8.810 -19.672 3.827 1.00 0.00 O ATOM 12 CB SER A 2 10.757 -17.575 3.658 1.00 0.00 C ATOM 13 OG SER A 2 11.660 -16.606 3.154 1.00 0.00 O ATOM 0 H SER A 2 8.163 -16.914 4.419 1.00 0.00 H new ATOM 0 HA SER A 2 9.628 -17.217 1.864 1.00 0.00 H new ATOM 0 HB2 SER A 2 10.565 -17.383 4.714 1.00 0.00 H new ATOM 0 HB3 SER A 2 11.207 -18.566 3.591 1.00 0.00 H new ATOM 0 HG SER A 2 12.494 -16.638 3.667 1.00 0.00 H new ATOM 19 N SER A 3 8.389 -19.353 1.639 1.00 0.00 N ATOM 20 CA SER A 3 7.797 -20.671 1.448 1.00 0.00 C ATOM 21 C SER A 3 8.830 -21.770 1.680 1.00 0.00 C ATOM 22 O SER A 3 8.593 -22.712 2.435 1.00 0.00 O ATOM 23 CB SER A 3 7.214 -20.793 0.039 1.00 0.00 C ATOM 24 OG SER A 3 6.151 -21.729 0.005 1.00 0.00 O ATOM 0 H SER A 3 8.416 -18.777 0.798 1.00 0.00 H new ATOM 0 HA SER A 3 6.995 -20.790 2.177 1.00 0.00 H new ATOM 0 HB2 SER A 3 6.856 -19.819 -0.295 1.00 0.00 H new ATOM 0 HB3 SER A 3 7.996 -21.101 -0.656 1.00 0.00 H new ATOM 0 HG SER A 3 5.795 -21.787 -0.906 1.00 0.00 H new ATOM 30 N GLY A 4 9.979 -21.641 1.023 1.00 0.00 N ATOM 31 CA GLY A 4 11.032 -22.629 1.170 1.00 0.00 C ATOM 32 C GLY A 4 12.340 -22.177 0.551 1.00 0.00 C ATOM 33 O GLY A 4 12.670 -20.992 0.575 1.00 0.00 O ATOM 0 H GLY A 4 10.199 -20.870 0.392 1.00 0.00 H new ATOM 0 HA2 GLY A 4 11.187 -22.836 2.229 1.00 0.00 H new ATOM 0 HA3 GLY A 4 10.717 -23.563 0.705 1.00 0.00 H new ATOM 37 N SER A 5 13.089 -23.126 -0.003 1.00 0.00 N ATOM 38 CA SER A 5 14.372 -22.820 -0.626 1.00 0.00 C ATOM 39 C SER A 5 14.172 -22.206 -2.008 1.00 0.00 C ATOM 40 O SER A 5 13.421 -22.730 -2.830 1.00 0.00 O ATOM 41 CB SER A 5 15.223 -24.087 -0.736 1.00 0.00 C ATOM 42 OG SER A 5 14.637 -25.019 -1.628 1.00 0.00 O ATOM 0 H SER A 5 12.830 -24.112 -0.033 1.00 0.00 H new ATOM 0 HA SER A 5 14.890 -22.096 0.002 1.00 0.00 H new ATOM 0 HB2 SER A 5 16.224 -23.828 -1.082 1.00 0.00 H new ATOM 0 HB3 SER A 5 15.334 -24.541 0.249 1.00 0.00 H new ATOM 0 HG SER A 5 14.151 -24.539 -2.330 1.00 0.00 H new ATOM 48 N SER A 6 14.851 -21.090 -2.256 1.00 0.00 N ATOM 49 CA SER A 6 14.746 -20.401 -3.537 1.00 0.00 C ATOM 50 C SER A 6 15.926 -19.457 -3.744 1.00 0.00 C ATOM 51 O SER A 6 16.627 -19.104 -2.797 1.00 0.00 O ATOM 52 CB SER A 6 13.433 -19.619 -3.613 1.00 0.00 C ATOM 53 OG SER A 6 12.368 -20.450 -4.041 1.00 0.00 O ATOM 0 H SER A 6 15.479 -20.644 -1.587 1.00 0.00 H new ATOM 0 HA SER A 6 14.760 -21.151 -4.328 1.00 0.00 H new ATOM 0 HB2 SER A 6 13.200 -19.198 -2.635 1.00 0.00 H new ATOM 0 HB3 SER A 6 13.544 -18.782 -4.302 1.00 0.00 H new ATOM 0 HG SER A 6 12.526 -21.367 -3.735 1.00 0.00 H new ATOM 59 N GLY A 7 16.140 -19.051 -4.992 1.00 0.00 N ATOM 60 CA GLY A 7 17.236 -18.152 -5.303 1.00 0.00 C ATOM 61 C GLY A 7 17.388 -17.917 -6.792 1.00 0.00 C ATOM 62 O GLY A 7 18.502 -17.918 -7.317 1.00 0.00 O ATOM 0 H GLY A 7 15.574 -19.329 -5.793 1.00 0.00 H new ATOM 0 HA2 GLY A 7 17.072 -17.198 -4.803 1.00 0.00 H new ATOM 0 HA3 GLY A 7 18.164 -18.565 -4.907 1.00 0.00 H new ATOM 66 N ARG A 8 16.267 -17.716 -7.476 1.00 0.00 N ATOM 67 CA ARG A 8 16.280 -17.481 -8.915 1.00 0.00 C ATOM 68 C ARG A 8 15.373 -16.311 -9.283 1.00 0.00 C ATOM 69 O ARG A 8 14.686 -15.753 -8.428 1.00 0.00 O ATOM 70 CB ARG A 8 15.836 -18.740 -9.663 1.00 0.00 C ATOM 71 CG ARG A 8 16.879 -19.845 -9.667 1.00 0.00 C ATOM 72 CD ARG A 8 16.735 -20.751 -8.454 1.00 0.00 C ATOM 73 NE ARG A 8 15.461 -21.465 -8.452 1.00 0.00 N ATOM 74 CZ ARG A 8 15.174 -22.458 -9.286 1.00 0.00 C ATOM 75 NH1 ARG A 8 16.066 -22.853 -10.184 1.00 0.00 N ATOM 76 NH2 ARG A 8 13.993 -23.059 -9.222 1.00 0.00 N ATOM 0 H ARG A 8 15.337 -17.711 -7.057 1.00 0.00 H new ATOM 0 HA ARG A 8 17.300 -17.233 -9.208 1.00 0.00 H new ATOM 0 HB2 ARG A 8 14.920 -19.118 -9.209 1.00 0.00 H new ATOM 0 HB3 ARG A 8 15.596 -18.475 -10.693 1.00 0.00 H new ATOM 0 HG2 ARG A 8 16.781 -20.436 -10.578 1.00 0.00 H new ATOM 0 HG3 ARG A 8 17.876 -19.405 -9.678 1.00 0.00 H new ATOM 0 HD2 ARG A 8 17.554 -21.470 -8.440 1.00 0.00 H new ATOM 0 HD3 ARG A 8 16.818 -20.155 -7.545 1.00 0.00 H new ATOM 0 HE ARG A 8 14.753 -21.186 -7.773 1.00 0.00 H new ATOM 0 HH11 ARG A 8 16.975 -22.394 -10.236 1.00 0.00 H new ATOM 0 HH12 ARG A 8 15.843 -23.616 -10.823 1.00 0.00 H new ATOM 0 HH21 ARG A 8 13.305 -22.759 -8.532 1.00 0.00 H new ATOM 0 HH22 ARG A 8 13.773 -23.822 -9.863 1.00 0.00 H new ATOM 90 N GLN A 9 15.377 -15.945 -10.561 1.00 0.00 N ATOM 91 CA GLN A 9 14.555 -14.841 -11.042 1.00 0.00 C ATOM 92 C GLN A 9 13.873 -15.202 -12.357 1.00 0.00 C ATOM 93 O GLN A 9 14.503 -15.745 -13.265 1.00 0.00 O ATOM 94 CB GLN A 9 15.408 -13.584 -11.223 1.00 0.00 C ATOM 95 CG GLN A 9 14.592 -12.324 -11.460 1.00 0.00 C ATOM 96 CD GLN A 9 13.689 -11.985 -10.290 1.00 0.00 C ATOM 97 OE1 GLN A 9 14.143 -11.462 -9.272 1.00 0.00 O ATOM 98 NE2 GLN A 9 12.402 -12.282 -10.430 1.00 0.00 N ATOM 0 H GLN A 9 15.940 -16.397 -11.282 1.00 0.00 H new ATOM 0 HA GLN A 9 13.784 -14.644 -10.297 1.00 0.00 H new ATOM 0 HB2 GLN A 9 16.027 -13.445 -10.337 1.00 0.00 H new ATOM 0 HB3 GLN A 9 16.085 -13.732 -12.065 1.00 0.00 H new ATOM 0 HG2 GLN A 9 15.267 -11.489 -11.647 1.00 0.00 H new ATOM 0 HG3 GLN A 9 13.986 -12.452 -12.357 1.00 0.00 H new ATOM 0 HE21 GLN A 9 12.069 -12.715 -11.291 1.00 0.00 H new ATOM 0 HE22 GLN A 9 11.746 -12.077 -9.676 1.00 0.00 H new ATOM 107 N ARG A 10 12.583 -14.897 -12.453 1.00 0.00 N ATOM 108 CA ARG A 10 11.816 -15.191 -13.657 1.00 0.00 C ATOM 109 C ARG A 10 11.116 -13.938 -14.175 1.00 0.00 C ATOM 110 O ARG A 10 10.346 -13.303 -13.455 1.00 0.00 O ATOM 111 CB ARG A 10 10.784 -16.285 -13.376 1.00 0.00 C ATOM 112 CG ARG A 10 11.401 -17.643 -13.083 1.00 0.00 C ATOM 113 CD ARG A 10 10.504 -18.481 -12.185 1.00 0.00 C ATOM 114 NE ARG A 10 10.528 -18.015 -10.801 1.00 0.00 N ATOM 115 CZ ARG A 10 11.448 -18.387 -9.916 1.00 0.00 C ATOM 116 NH1 ARG A 10 12.413 -19.223 -10.271 1.00 0.00 N ATOM 117 NH2 ARG A 10 11.403 -17.920 -8.675 1.00 0.00 N ATOM 0 H ARG A 10 12.047 -14.446 -11.711 1.00 0.00 H new ATOM 0 HA ARG A 10 12.509 -15.542 -14.422 1.00 0.00 H new ATOM 0 HB2 ARG A 10 10.169 -15.984 -12.528 1.00 0.00 H new ATOM 0 HB3 ARG A 10 10.119 -16.375 -14.235 1.00 0.00 H new ATOM 0 HG2 ARG A 10 11.578 -18.173 -14.019 1.00 0.00 H new ATOM 0 HG3 ARG A 10 12.371 -17.507 -12.605 1.00 0.00 H new ATOM 0 HD2 ARG A 10 9.482 -18.448 -12.561 1.00 0.00 H new ATOM 0 HD3 ARG A 10 10.824 -19.522 -12.223 1.00 0.00 H new ATOM 0 HE ARG A 10 9.799 -17.369 -10.497 1.00 0.00 H new ATOM 0 HH11 ARG A 10 12.451 -19.582 -11.225 1.00 0.00 H new ATOM 0 HH12 ARG A 10 13.118 -19.507 -9.590 1.00 0.00 H new ATOM 0 HH21 ARG A 10 10.662 -17.275 -8.399 1.00 0.00 H new ATOM 0 HH22 ARG A 10 12.109 -18.206 -7.997 1.00 0.00 H new ATOM 131 N SER A 11 11.389 -13.589 -15.428 1.00 0.00 N ATOM 132 CA SER A 11 10.790 -12.410 -16.041 1.00 0.00 C ATOM 133 C SER A 11 9.463 -12.760 -16.709 1.00 0.00 C ATOM 134 O SER A 11 9.432 -13.430 -17.742 1.00 0.00 O ATOM 135 CB SER A 11 11.746 -11.801 -17.069 1.00 0.00 C ATOM 136 OG SER A 11 12.772 -11.059 -16.433 1.00 0.00 O ATOM 0 H SER A 11 12.021 -14.106 -16.039 1.00 0.00 H new ATOM 0 HA SER A 11 10.600 -11.679 -15.255 1.00 0.00 H new ATOM 0 HB2 SER A 11 12.187 -12.593 -17.674 1.00 0.00 H new ATOM 0 HB3 SER A 11 11.191 -11.153 -17.747 1.00 0.00 H new ATOM 0 HG SER A 11 13.371 -10.681 -17.111 1.00 0.00 H new ATOM 142 N LEU A 12 8.369 -12.302 -16.112 1.00 0.00 N ATOM 143 CA LEU A 12 7.038 -12.566 -16.647 1.00 0.00 C ATOM 144 C LEU A 12 6.122 -11.362 -16.449 1.00 0.00 C ATOM 145 O LEU A 12 6.414 -10.473 -15.649 1.00 0.00 O ATOM 146 CB LEU A 12 6.430 -13.798 -15.974 1.00 0.00 C ATOM 147 CG LEU A 12 7.096 -15.136 -16.298 1.00 0.00 C ATOM 148 CD1 LEU A 12 6.543 -16.237 -15.407 1.00 0.00 C ATOM 149 CD2 LEU A 12 6.900 -15.487 -17.766 1.00 0.00 C ATOM 0 H LEU A 12 8.377 -11.746 -15.257 1.00 0.00 H new ATOM 0 HA LEU A 12 7.135 -12.754 -17.716 1.00 0.00 H new ATOM 0 HB2 LEU A 12 6.462 -13.651 -14.894 1.00 0.00 H new ATOM 0 HB3 LEU A 12 5.379 -13.860 -16.256 1.00 0.00 H new ATOM 0 HG LEU A 12 8.165 -15.044 -16.106 1.00 0.00 H new ATOM 0 HD11 LEU A 12 7.029 -17.182 -15.652 1.00 0.00 H new ATOM 0 HD12 LEU A 12 6.735 -15.991 -14.363 1.00 0.00 H new ATOM 0 HD13 LEU A 12 5.469 -16.329 -15.567 1.00 0.00 H new ATOM 0 HD21 LEU A 12 7.380 -16.442 -17.979 1.00 0.00 H new ATOM 0 HD22 LEU A 12 5.834 -15.560 -17.983 1.00 0.00 H new ATOM 0 HD23 LEU A 12 7.345 -14.710 -18.388 1.00 0.00 H new ATOM 161 N SER A 13 5.014 -11.340 -17.183 1.00 0.00 N ATOM 162 CA SER A 13 4.056 -10.244 -17.089 1.00 0.00 C ATOM 163 C SER A 13 3.833 -9.841 -15.635 1.00 0.00 C ATOM 164 O SER A 13 3.831 -10.684 -14.737 1.00 0.00 O ATOM 165 CB SER A 13 2.726 -10.646 -17.729 1.00 0.00 C ATOM 166 OG SER A 13 2.849 -10.752 -19.136 1.00 0.00 O ATOM 0 H SER A 13 4.757 -12.068 -17.849 1.00 0.00 H new ATOM 0 HA SER A 13 4.466 -9.388 -17.626 1.00 0.00 H new ATOM 0 HB2 SER A 13 2.394 -11.599 -17.317 1.00 0.00 H new ATOM 0 HB3 SER A 13 1.962 -9.908 -17.482 1.00 0.00 H new ATOM 0 HG SER A 13 1.986 -11.012 -19.521 1.00 0.00 H new ATOM 172 N THR A 14 3.645 -8.544 -15.409 1.00 0.00 N ATOM 173 CA THR A 14 3.422 -8.027 -14.065 1.00 0.00 C ATOM 174 C THR A 14 1.933 -7.882 -13.771 1.00 0.00 C ATOM 175 O THR A 14 1.340 -6.833 -14.023 1.00 0.00 O ATOM 176 CB THR A 14 4.108 -6.662 -13.867 1.00 0.00 C ATOM 177 OG1 THR A 14 5.470 -6.730 -14.303 1.00 0.00 O ATOM 178 CG2 THR A 14 4.058 -6.237 -12.407 1.00 0.00 C ATOM 0 H THR A 14 3.643 -7.833 -16.140 1.00 0.00 H new ATOM 0 HA THR A 14 3.857 -8.748 -13.373 1.00 0.00 H new ATOM 0 HB THR A 14 3.573 -5.922 -14.462 1.00 0.00 H new ATOM 0 HG1 THR A 14 5.898 -5.858 -14.175 1.00 0.00 H new ATOM 0 HG21 THR A 14 4.549 -5.270 -12.292 1.00 0.00 H new ATOM 0 HG22 THR A 14 3.019 -6.157 -12.087 1.00 0.00 H new ATOM 0 HG23 THR A 14 4.570 -6.979 -11.794 1.00 0.00 H new ATOM 186 N SER A 15 1.335 -8.942 -13.237 1.00 0.00 N ATOM 187 CA SER A 15 -0.087 -8.933 -12.911 1.00 0.00 C ATOM 188 C SER A 15 -0.328 -8.295 -11.547 1.00 0.00 C ATOM 189 O SER A 15 -1.209 -7.451 -11.391 1.00 0.00 O ATOM 190 CB SER A 15 -0.644 -10.358 -12.926 1.00 0.00 C ATOM 191 OG SER A 15 -2.059 -10.352 -12.983 1.00 0.00 O ATOM 0 H SER A 15 1.812 -9.817 -13.021 1.00 0.00 H new ATOM 0 HA SER A 15 -0.604 -8.340 -13.666 1.00 0.00 H new ATOM 0 HB2 SER A 15 -0.245 -10.899 -13.784 1.00 0.00 H new ATOM 0 HB3 SER A 15 -0.315 -10.890 -12.033 1.00 0.00 H new ATOM 0 HG SER A 15 -2.390 -11.274 -12.993 1.00 0.00 H new ATOM 197 N GLY A 16 0.462 -8.707 -10.560 1.00 0.00 N ATOM 198 CA GLY A 16 0.320 -8.166 -9.221 1.00 0.00 C ATOM 199 C GLY A 16 0.608 -9.195 -8.146 1.00 0.00 C ATOM 200 O GLY A 16 -0.159 -10.140 -7.962 1.00 0.00 O ATOM 0 H GLY A 16 1.198 -9.406 -10.664 1.00 0.00 H new ATOM 0 HA2 GLY A 16 0.997 -7.320 -9.101 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -0.693 -7.784 -9.092 1.00 0.00 H new ATOM 204 N GLU A 17 1.716 -9.013 -7.436 1.00 0.00 N ATOM 205 CA GLU A 17 2.104 -9.936 -6.376 1.00 0.00 C ATOM 206 C GLU A 17 1.383 -9.602 -5.073 1.00 0.00 C ATOM 207 O GLU A 17 0.683 -10.440 -4.506 1.00 0.00 O ATOM 208 CB GLU A 17 3.618 -9.892 -6.159 1.00 0.00 C ATOM 209 CG GLU A 17 4.145 -8.507 -5.824 1.00 0.00 C ATOM 210 CD GLU A 17 5.646 -8.392 -6.012 1.00 0.00 C ATOM 211 OE1 GLU A 17 6.122 -8.628 -7.142 1.00 0.00 O ATOM 212 OE2 GLU A 17 6.343 -8.066 -5.029 1.00 0.00 O ATOM 0 H GLU A 17 2.361 -8.235 -7.575 1.00 0.00 H new ATOM 0 HA GLU A 17 1.817 -10.942 -6.683 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.881 -10.576 -5.352 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.116 -10.253 -7.059 1.00 0.00 H new ATOM 0 HG2 GLU A 17 3.646 -7.770 -6.454 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.893 -8.266 -4.791 1.00 0.00 H new ATOM 219 N SER A 18 1.561 -8.371 -4.604 1.00 0.00 N ATOM 220 CA SER A 18 0.932 -7.926 -3.366 1.00 0.00 C ATOM 221 C SER A 18 1.272 -6.467 -3.077 1.00 0.00 C ATOM 222 O SER A 18 1.914 -5.795 -3.886 1.00 0.00 O ATOM 223 CB SER A 18 1.378 -8.807 -2.197 1.00 0.00 C ATOM 224 OG SER A 18 0.503 -9.908 -2.026 1.00 0.00 O ATOM 0 H SER A 18 2.136 -7.664 -5.063 1.00 0.00 H new ATOM 0 HA SER A 18 -0.148 -8.012 -3.485 1.00 0.00 H new ATOM 0 HB2 SER A 18 2.391 -9.168 -2.375 1.00 0.00 H new ATOM 0 HB3 SER A 18 1.407 -8.216 -1.282 1.00 0.00 H new ATOM 0 HG SER A 18 0.632 -10.545 -2.759 1.00 0.00 H new ATOM 230 N LEU A 19 0.837 -5.983 -1.919 1.00 0.00 N ATOM 231 CA LEU A 19 1.095 -4.603 -1.522 1.00 0.00 C ATOM 232 C LEU A 19 2.560 -4.238 -1.739 1.00 0.00 C ATOM 233 O LEU A 19 2.912 -3.061 -1.817 1.00 0.00 O ATOM 234 CB LEU A 19 0.718 -4.396 -0.054 1.00 0.00 C ATOM 235 CG LEU A 19 -0.775 -4.460 0.271 1.00 0.00 C ATOM 236 CD1 LEU A 19 -0.989 -4.620 1.769 1.00 0.00 C ATOM 237 CD2 LEU A 19 -1.487 -3.216 -0.241 1.00 0.00 C ATOM 0 H LEU A 19 0.304 -6.525 -1.239 1.00 0.00 H new ATOM 0 HA LEU A 19 0.482 -3.951 -2.144 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.232 -5.150 0.542 1.00 0.00 H new ATOM 0 HB3 LEU A 19 1.097 -3.425 0.264 1.00 0.00 H new ATOM 0 HG LEU A 19 -1.199 -5.329 -0.231 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.057 -4.664 1.981 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.514 -5.540 2.108 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.550 -3.771 2.292 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.548 -3.279 -0.001 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.060 -2.332 0.232 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.363 -3.145 -1.322 1.00 0.00 H new ATOM 249 N TYR A 20 3.409 -5.255 -1.837 1.00 0.00 N ATOM 250 CA TYR A 20 4.836 -5.042 -2.045 1.00 0.00 C ATOM 251 C TYR A 20 5.078 -4.007 -3.139 1.00 0.00 C ATOM 252 O TYR A 20 5.950 -3.146 -3.014 1.00 0.00 O ATOM 253 CB TYR A 20 5.522 -6.359 -2.412 1.00 0.00 C ATOM 254 CG TYR A 20 5.227 -7.485 -1.446 1.00 0.00 C ATOM 255 CD1 TYR A 20 5.579 -7.387 -0.106 1.00 0.00 C ATOM 256 CD2 TYR A 20 4.596 -8.646 -1.874 1.00 0.00 C ATOM 257 CE1 TYR A 20 5.313 -8.413 0.780 1.00 0.00 C ATOM 258 CE2 TYR A 20 4.324 -9.677 -0.996 1.00 0.00 C ATOM 259 CZ TYR A 20 4.685 -9.556 0.330 1.00 0.00 C ATOM 260 OH TYR A 20 4.416 -10.580 1.209 1.00 0.00 O ATOM 0 H TYR A 20 3.133 -6.235 -1.776 1.00 0.00 H new ATOM 0 HA TYR A 20 5.261 -4.666 -1.114 1.00 0.00 H new ATOM 0 HB2 TYR A 20 5.206 -6.657 -3.412 1.00 0.00 H new ATOM 0 HB3 TYR A 20 6.599 -6.199 -2.452 1.00 0.00 H new ATOM 0 HD1 TYR A 20 6.069 -6.493 0.250 1.00 0.00 H new ATOM 0 HD2 TYR A 20 4.313 -8.744 -2.912 1.00 0.00 H new ATOM 0 HE1 TYR A 20 5.595 -8.321 1.818 1.00 0.00 H new ATOM 0 HE2 TYR A 20 3.832 -10.572 -1.345 1.00 0.00 H new ATOM 0 HH TYR A 20 3.970 -11.311 0.733 1.00 0.00 H new ATOM 270 N HIS A 21 4.300 -4.098 -4.213 1.00 0.00 N ATOM 271 CA HIS A 21 4.428 -3.169 -5.331 1.00 0.00 C ATOM 272 C HIS A 21 4.063 -1.751 -4.903 1.00 0.00 C ATOM 273 O HIS A 21 4.820 -0.808 -5.134 1.00 0.00 O ATOM 274 CB HIS A 21 3.537 -3.610 -6.492 1.00 0.00 C ATOM 275 CG HIS A 21 4.064 -3.213 -7.836 1.00 0.00 C ATOM 276 ND1 HIS A 21 3.459 -2.262 -8.631 1.00 0.00 N ATOM 277 CD2 HIS A 21 5.148 -3.642 -8.524 1.00 0.00 C ATOM 278 CE1 HIS A 21 4.147 -2.126 -9.751 1.00 0.00 C ATOM 279 NE2 HIS A 21 5.177 -2.951 -9.711 1.00 0.00 N ATOM 0 H HIS A 21 3.575 -4.805 -4.333 1.00 0.00 H new ATOM 0 HA HIS A 21 5.467 -3.174 -5.659 1.00 0.00 H new ATOM 0 HB2 HIS A 21 3.424 -4.694 -6.461 1.00 0.00 H new ATOM 0 HB3 HIS A 21 2.543 -3.182 -6.360 1.00 0.00 H new ATOM 0 HD2 HIS A 21 5.858 -4.389 -8.200 1.00 0.00 H new ATOM 0 HE1 HIS A 21 3.907 -1.454 -10.562 1.00 0.00 H new ATOM 0 HE2 HIS A 21 5.880 -3.058 -10.442 1.00 0.00 H new ATOM 287 N VAL A 22 2.898 -1.608 -4.279 1.00 0.00 N ATOM 288 CA VAL A 22 2.432 -0.305 -3.819 1.00 0.00 C ATOM 289 C VAL A 22 3.585 0.527 -3.267 1.00 0.00 C ATOM 290 O VAL A 22 3.691 1.723 -3.544 1.00 0.00 O ATOM 291 CB VAL A 22 1.350 -0.447 -2.733 1.00 0.00 C ATOM 292 CG1 VAL A 22 0.921 0.921 -2.224 1.00 0.00 C ATOM 293 CG2 VAL A 22 0.157 -1.224 -3.269 1.00 0.00 C ATOM 0 H VAL A 22 2.260 -2.378 -4.080 1.00 0.00 H new ATOM 0 HA VAL A 22 2.003 0.201 -4.684 1.00 0.00 H new ATOM 0 HB VAL A 22 1.771 -1.004 -1.896 1.00 0.00 H new ATOM 0 HG11 VAL A 22 0.156 0.800 -1.457 1.00 0.00 H new ATOM 0 HG12 VAL A 22 1.782 1.438 -1.800 1.00 0.00 H new ATOM 0 HG13 VAL A 22 0.518 1.506 -3.050 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -0.598 -1.315 -2.488 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -0.266 -0.697 -4.124 1.00 0.00 H new ATOM 0 HG23 VAL A 22 0.480 -2.218 -3.579 1.00 0.00 H new ATOM 303 N LEU A 23 4.447 -0.113 -2.485 1.00 0.00 N ATOM 304 CA LEU A 23 5.594 0.568 -1.894 1.00 0.00 C ATOM 305 C LEU A 23 6.773 0.590 -2.861 1.00 0.00 C ATOM 306 O LEU A 23 7.326 1.648 -3.158 1.00 0.00 O ATOM 307 CB LEU A 23 6.003 -0.119 -0.590 1.00 0.00 C ATOM 308 CG LEU A 23 4.886 -0.341 0.431 1.00 0.00 C ATOM 309 CD1 LEU A 23 5.366 -1.239 1.561 1.00 0.00 C ATOM 310 CD2 LEU A 23 4.393 0.990 0.979 1.00 0.00 C ATOM 0 H LEU A 23 4.374 -1.102 -2.245 1.00 0.00 H new ATOM 0 HA LEU A 23 5.304 1.597 -1.681 1.00 0.00 H new ATOM 0 HB2 LEU A 23 6.442 -1.086 -0.835 1.00 0.00 H new ATOM 0 HB3 LEU A 23 6.785 0.476 -0.119 1.00 0.00 H new ATOM 0 HG LEU A 23 4.054 -0.836 -0.071 1.00 0.00 H new ATOM 0 HD11 LEU A 23 4.558 -1.386 2.278 1.00 0.00 H new ATOM 0 HD12 LEU A 23 5.670 -2.204 1.155 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.214 -0.772 2.061 1.00 0.00 H new ATOM 0 HD21 LEU A 23 3.598 0.813 1.704 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.218 1.511 1.465 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.009 1.600 0.162 1.00 0.00 H new ATOM 322 N GLY A 24 7.151 -0.586 -3.352 1.00 0.00 N ATOM 323 CA GLY A 24 8.261 -0.680 -4.283 1.00 0.00 C ATOM 324 C GLY A 24 9.223 -1.796 -3.928 1.00 0.00 C ATOM 325 O GLY A 24 10.433 -1.665 -4.116 1.00 0.00 O ATOM 0 H GLY A 24 6.708 -1.476 -3.122 1.00 0.00 H new ATOM 0 HA2 GLY A 24 7.874 -0.844 -5.289 1.00 0.00 H new ATOM 0 HA3 GLY A 24 8.799 0.268 -4.299 1.00 0.00 H new ATOM 329 N LEU A 25 8.686 -2.896 -3.414 1.00 0.00 N ATOM 330 CA LEU A 25 9.506 -4.040 -3.030 1.00 0.00 C ATOM 331 C LEU A 25 8.969 -5.327 -3.648 1.00 0.00 C ATOM 332 O LEU A 25 7.945 -5.319 -4.332 1.00 0.00 O ATOM 333 CB LEU A 25 9.550 -4.173 -1.507 1.00 0.00 C ATOM 334 CG LEU A 25 9.974 -2.922 -0.736 1.00 0.00 C ATOM 335 CD1 LEU A 25 9.319 -2.892 0.636 1.00 0.00 C ATOM 336 CD2 LEU A 25 11.489 -2.863 -0.607 1.00 0.00 C ATOM 0 H LEU A 25 7.686 -3.021 -3.253 1.00 0.00 H new ATOM 0 HA LEU A 25 10.516 -3.873 -3.404 1.00 0.00 H new ATOM 0 HB2 LEU A 25 8.561 -4.472 -1.160 1.00 0.00 H new ATOM 0 HB3 LEU A 25 10.235 -4.982 -1.253 1.00 0.00 H new ATOM 0 HG LEU A 25 9.642 -2.046 -1.293 1.00 0.00 H new ATOM 0 HD11 LEU A 25 9.633 -1.995 1.169 1.00 0.00 H new ATOM 0 HD12 LEU A 25 8.235 -2.886 0.522 1.00 0.00 H new ATOM 0 HD13 LEU A 25 9.619 -3.774 1.202 1.00 0.00 H new ATOM 0 HD21 LEU A 25 11.773 -1.966 -0.056 1.00 0.00 H new ATOM 0 HD22 LEU A 25 11.843 -3.745 -0.073 1.00 0.00 H new ATOM 0 HD23 LEU A 25 11.938 -2.836 -1.600 1.00 0.00 H new ATOM 348 N ASP A 26 9.665 -6.431 -3.402 1.00 0.00 N ATOM 349 CA ASP A 26 9.256 -7.727 -3.931 1.00 0.00 C ATOM 350 C ASP A 26 8.529 -8.544 -2.867 1.00 0.00 C ATOM 351 O ASP A 26 8.403 -8.117 -1.720 1.00 0.00 O ATOM 352 CB ASP A 26 10.473 -8.500 -4.443 1.00 0.00 C ATOM 353 CG ASP A 26 11.256 -7.723 -5.483 1.00 0.00 C ATOM 354 OD1 ASP A 26 10.626 -7.160 -6.403 1.00 0.00 O ATOM 355 OD2 ASP A 26 12.500 -7.678 -5.376 1.00 0.00 O ATOM 0 H ASP A 26 10.515 -6.455 -2.839 1.00 0.00 H new ATOM 0 HA ASP A 26 8.571 -7.553 -4.760 1.00 0.00 H new ATOM 0 HB2 ASP A 26 11.127 -8.740 -3.604 1.00 0.00 H new ATOM 0 HB3 ASP A 26 10.145 -9.447 -4.872 1.00 0.00 H new ATOM 360 N LYS A 27 8.053 -9.722 -3.256 1.00 0.00 N ATOM 361 CA LYS A 27 7.338 -10.600 -2.338 1.00 0.00 C ATOM 362 C LYS A 27 8.268 -11.114 -1.243 1.00 0.00 C ATOM 363 O LYS A 27 7.862 -11.266 -0.092 1.00 0.00 O ATOM 364 CB LYS A 27 6.727 -11.779 -3.098 1.00 0.00 C ATOM 365 CG LYS A 27 7.754 -12.789 -3.581 1.00 0.00 C ATOM 366 CD LYS A 27 7.988 -13.882 -2.551 1.00 0.00 C ATOM 367 CE LYS A 27 6.842 -14.882 -2.529 1.00 0.00 C ATOM 368 NZ LYS A 27 7.059 -15.995 -3.494 1.00 0.00 N ATOM 0 H LYS A 27 8.150 -10.091 -4.202 1.00 0.00 H new ATOM 0 HA LYS A 27 6.539 -10.024 -1.872 1.00 0.00 H new ATOM 0 HB2 LYS A 27 6.009 -12.284 -2.452 1.00 0.00 H new ATOM 0 HB3 LYS A 27 6.172 -11.399 -3.956 1.00 0.00 H new ATOM 0 HG2 LYS A 27 7.415 -13.235 -4.516 1.00 0.00 H new ATOM 0 HG3 LYS A 27 8.694 -12.280 -3.793 1.00 0.00 H new ATOM 0 HD2 LYS A 27 8.920 -14.400 -2.775 1.00 0.00 H new ATOM 0 HD3 LYS A 27 8.101 -13.435 -1.563 1.00 0.00 H new ATOM 0 HE2 LYS A 27 6.734 -15.289 -1.524 1.00 0.00 H new ATOM 0 HE3 LYS A 27 5.909 -14.371 -2.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 6.257 -16.655 -3.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 7.137 -15.610 -4.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 7.936 -16.499 -3.251 1.00 0.00 H new ATOM 382 N ASN A 28 9.518 -11.379 -1.611 1.00 0.00 N ATOM 383 CA ASN A 28 10.505 -11.875 -0.659 1.00 0.00 C ATOM 384 C ASN A 28 10.713 -10.880 0.478 1.00 0.00 C ATOM 385 O ASN A 28 10.968 -11.268 1.618 1.00 0.00 O ATOM 386 CB ASN A 28 11.835 -12.144 -1.366 1.00 0.00 C ATOM 387 CG ASN A 28 11.673 -13.032 -2.585 1.00 0.00 C ATOM 388 OD1 ASN A 28 11.123 -14.224 -2.380 1.00 0.00 O flip ATOM 389 ND2 ASN A 28 12.037 -12.651 -3.697 1.00 0.00 N flip ATOM 0 H ASN A 28 9.871 -11.259 -2.561 1.00 0.00 H new ATOM 0 HA ASN A 28 10.130 -12.807 -0.237 1.00 0.00 H new ATOM 0 HB2 ASN A 28 12.281 -11.196 -1.667 1.00 0.00 H new ATOM 0 HB3 ASN A 28 12.526 -12.614 -0.667 1.00 0.00 H new ATOM 0 HD21 ASN A 28 12.455 -11.727 -3.808 1.00 0.00 H new ATOM 0 HD22 ASN A 28 11.921 -13.259 -4.508 1.00 0.00 H new ATOM 396 N ALA A 29 10.602 -9.594 0.159 1.00 0.00 N ATOM 397 CA ALA A 29 10.776 -8.543 1.154 1.00 0.00 C ATOM 398 C ALA A 29 10.137 -8.933 2.482 1.00 0.00 C ATOM 399 O ALA A 29 9.080 -9.565 2.513 1.00 0.00 O ATOM 400 CB ALA A 29 10.187 -7.235 0.647 1.00 0.00 C ATOM 0 H ALA A 29 10.393 -9.256 -0.780 1.00 0.00 H new ATOM 0 HA ALA A 29 11.845 -8.408 1.321 1.00 0.00 H new ATOM 0 HB1 ALA A 29 10.324 -6.459 1.400 1.00 0.00 H new ATOM 0 HB2 ALA A 29 10.692 -6.941 -0.273 1.00 0.00 H new ATOM 0 HB3 ALA A 29 9.123 -7.367 0.451 1.00 0.00 H new ATOM 406 N THR A 30 10.784 -8.554 3.579 1.00 0.00 N ATOM 407 CA THR A 30 10.280 -8.865 4.911 1.00 0.00 C ATOM 408 C THR A 30 9.812 -7.606 5.630 1.00 0.00 C ATOM 409 O THR A 30 9.999 -6.493 5.139 1.00 0.00 O ATOM 410 CB THR A 30 11.353 -9.564 5.768 1.00 0.00 C ATOM 411 OG1 THR A 30 12.481 -8.700 5.941 1.00 0.00 O ATOM 412 CG2 THR A 30 11.799 -10.866 5.121 1.00 0.00 C ATOM 0 H THR A 30 11.659 -8.030 3.571 1.00 0.00 H new ATOM 0 HA THR A 30 9.434 -9.540 4.779 1.00 0.00 H new ATOM 0 HB THR A 30 10.918 -9.791 6.741 1.00 0.00 H new ATOM 0 HG1 THR A 30 13.158 -9.151 6.488 1.00 0.00 H new ATOM 0 HG21 THR A 30 12.557 -11.341 5.744 1.00 0.00 H new ATOM 0 HG22 THR A 30 10.943 -11.533 5.018 1.00 0.00 H new ATOM 0 HG23 THR A 30 12.217 -10.658 4.136 1.00 0.00 H new ATOM 420 N SER A 31 9.203 -7.789 6.798 1.00 0.00 N ATOM 421 CA SER A 31 8.704 -6.666 7.584 1.00 0.00 C ATOM 422 C SER A 31 9.782 -5.600 7.752 1.00 0.00 C ATOM 423 O SER A 31 9.512 -4.404 7.634 1.00 0.00 O ATOM 424 CB SER A 31 8.230 -7.148 8.956 1.00 0.00 C ATOM 425 OG SER A 31 9.306 -7.675 9.712 1.00 0.00 O ATOM 0 H SER A 31 9.043 -8.704 7.220 1.00 0.00 H new ATOM 0 HA SER A 31 7.862 -6.226 7.050 1.00 0.00 H new ATOM 0 HB2 SER A 31 7.772 -6.320 9.497 1.00 0.00 H new ATOM 0 HB3 SER A 31 7.461 -7.911 8.831 1.00 0.00 H new ATOM 0 HG SER A 31 8.977 -7.974 10.585 1.00 0.00 H new ATOM 431 N ASP A 32 11.005 -6.041 8.027 1.00 0.00 N ATOM 432 CA ASP A 32 12.125 -5.126 8.210 1.00 0.00 C ATOM 433 C ASP A 32 12.306 -4.236 6.984 1.00 0.00 C ATOM 434 O ASP A 32 12.316 -3.010 7.091 1.00 0.00 O ATOM 435 CB ASP A 32 13.411 -5.908 8.483 1.00 0.00 C ATOM 436 CG ASP A 32 14.384 -5.137 9.352 1.00 0.00 C ATOM 437 OD1 ASP A 32 14.827 -4.050 8.926 1.00 0.00 O ATOM 438 OD2 ASP A 32 14.704 -5.620 10.459 1.00 0.00 O ATOM 0 H ASP A 32 11.246 -7.027 8.128 1.00 0.00 H new ATOM 0 HA ASP A 32 11.907 -4.491 9.068 1.00 0.00 H new ATOM 0 HB2 ASP A 32 13.163 -6.851 8.969 1.00 0.00 H new ATOM 0 HB3 ASP A 32 13.891 -6.154 7.536 1.00 0.00 H new ATOM 443 N ASP A 33 12.450 -4.863 5.822 1.00 0.00 N ATOM 444 CA ASP A 33 12.632 -4.128 4.575 1.00 0.00 C ATOM 445 C ASP A 33 11.444 -3.208 4.309 1.00 0.00 C ATOM 446 O ASP A 33 11.612 -2.086 3.829 1.00 0.00 O ATOM 447 CB ASP A 33 12.811 -5.099 3.407 1.00 0.00 C ATOM 448 CG ASP A 33 14.191 -5.728 3.384 1.00 0.00 C ATOM 449 OD1 ASP A 33 15.123 -5.091 2.849 1.00 0.00 O ATOM 450 OD2 ASP A 33 14.338 -6.856 3.899 1.00 0.00 O ATOM 0 H ASP A 33 12.444 -5.878 5.717 1.00 0.00 H new ATOM 0 HA ASP A 33 13.529 -3.517 4.670 1.00 0.00 H new ATOM 0 HB2 ASP A 33 12.058 -5.884 3.472 1.00 0.00 H new ATOM 0 HB3 ASP A 33 12.640 -4.570 2.469 1.00 0.00 H new ATOM 455 N ILE A 34 10.247 -3.690 4.623 1.00 0.00 N ATOM 456 CA ILE A 34 9.032 -2.910 4.417 1.00 0.00 C ATOM 457 C ILE A 34 8.983 -1.712 5.359 1.00 0.00 C ATOM 458 O ILE A 34 8.510 -0.637 4.989 1.00 0.00 O ATOM 459 CB ILE A 34 7.770 -3.768 4.629 1.00 0.00 C ATOM 460 CG1 ILE A 34 7.755 -4.943 3.650 1.00 0.00 C ATOM 461 CG2 ILE A 34 6.519 -2.918 4.465 1.00 0.00 C ATOM 462 CD1 ILE A 34 6.841 -6.071 4.073 1.00 0.00 C ATOM 0 H ILE A 34 10.092 -4.616 5.021 1.00 0.00 H new ATOM 0 HA ILE A 34 9.053 -2.558 3.386 1.00 0.00 H new ATOM 0 HB ILE A 34 7.785 -4.166 5.644 1.00 0.00 H new ATOM 0 HG12 ILE A 34 7.445 -4.584 2.669 1.00 0.00 H new ATOM 0 HG13 ILE A 34 8.769 -5.329 3.543 1.00 0.00 H new ATOM 0 HG21 ILE A 34 5.635 -3.538 4.618 1.00 0.00 H new ATOM 0 HG22 ILE A 34 6.528 -2.112 5.199 1.00 0.00 H new ATOM 0 HG23 ILE A 34 6.496 -2.494 3.461 1.00 0.00 H new ATOM 0 HD11 ILE A 34 6.881 -6.869 3.332 1.00 0.00 H new ATOM 0 HD12 ILE A 34 7.163 -6.457 5.040 1.00 0.00 H new ATOM 0 HD13 ILE A 34 5.819 -5.701 4.153 1.00 0.00 H new ATOM 474 N LYS A 35 9.476 -1.903 6.578 1.00 0.00 N ATOM 475 CA LYS A 35 9.492 -0.838 7.573 1.00 0.00 C ATOM 476 C LYS A 35 10.362 0.326 7.111 1.00 0.00 C ATOM 477 O LYS A 35 9.953 1.486 7.174 1.00 0.00 O ATOM 478 CB LYS A 35 10.004 -1.371 8.913 1.00 0.00 C ATOM 479 CG LYS A 35 8.911 -1.945 9.797 1.00 0.00 C ATOM 480 CD LYS A 35 9.461 -2.984 10.760 1.00 0.00 C ATOM 481 CE LYS A 35 8.360 -3.888 11.293 1.00 0.00 C ATOM 482 NZ LYS A 35 8.688 -4.426 12.642 1.00 0.00 N ATOM 0 H LYS A 35 9.870 -2.787 6.901 1.00 0.00 H new ATOM 0 HA LYS A 35 8.471 -0.478 7.699 1.00 0.00 H new ATOM 0 HB2 LYS A 35 10.751 -2.142 8.726 1.00 0.00 H new ATOM 0 HB3 LYS A 35 10.506 -0.564 9.447 1.00 0.00 H new ATOM 0 HG2 LYS A 35 8.437 -1.141 10.360 1.00 0.00 H new ATOM 0 HG3 LYS A 35 8.138 -2.397 9.175 1.00 0.00 H new ATOM 0 HD2 LYS A 35 10.215 -3.587 10.254 1.00 0.00 H new ATOM 0 HD3 LYS A 35 9.957 -2.484 11.592 1.00 0.00 H new ATOM 0 HE2 LYS A 35 7.425 -3.331 11.342 1.00 0.00 H new ATOM 0 HE3 LYS A 35 8.202 -4.715 10.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 7.913 -5.037 12.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 9.567 -4.979 12.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 8.813 -3.638 13.309 1.00 0.00 H new ATOM 496 N LYS A 36 11.566 0.010 6.644 1.00 0.00 N ATOM 497 CA LYS A 36 12.494 1.028 6.167 1.00 0.00 C ATOM 498 C LYS A 36 11.932 1.748 4.945 1.00 0.00 C ATOM 499 O LYS A 36 12.083 2.961 4.804 1.00 0.00 O ATOM 500 CB LYS A 36 13.845 0.396 5.824 1.00 0.00 C ATOM 501 CG LYS A 36 13.753 -0.704 4.780 1.00 0.00 C ATOM 502 CD LYS A 36 15.094 -0.945 4.106 1.00 0.00 C ATOM 503 CE LYS A 36 16.107 -1.534 5.074 1.00 0.00 C ATOM 504 NZ LYS A 36 15.979 -3.014 5.178 1.00 0.00 N ATOM 0 H LYS A 36 11.922 -0.944 6.586 1.00 0.00 H new ATOM 0 HA LYS A 36 12.634 1.758 6.964 1.00 0.00 H new ATOM 0 HB2 LYS A 36 14.519 1.173 5.463 1.00 0.00 H new ATOM 0 HB3 LYS A 36 14.287 -0.013 6.733 1.00 0.00 H new ATOM 0 HG2 LYS A 36 13.410 -1.626 5.250 1.00 0.00 H new ATOM 0 HG3 LYS A 36 13.010 -0.434 4.029 1.00 0.00 H new ATOM 0 HD2 LYS A 36 14.961 -1.621 3.261 1.00 0.00 H new ATOM 0 HD3 LYS A 36 15.475 -0.005 3.706 1.00 0.00 H new ATOM 0 HE2 LYS A 36 17.114 -1.279 4.745 1.00 0.00 H new ATOM 0 HE3 LYS A 36 15.970 -1.088 6.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 16.911 -3.430 5.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 15.322 -3.252 5.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 15.614 -3.395 4.282 1.00 0.00 H new ATOM 518 N SER A 37 11.284 0.992 4.065 1.00 0.00 N ATOM 519 CA SER A 37 10.701 1.558 2.854 1.00 0.00 C ATOM 520 C SER A 37 9.750 2.702 3.192 1.00 0.00 C ATOM 521 O SER A 37 9.961 3.842 2.776 1.00 0.00 O ATOM 522 CB SER A 37 9.957 0.477 2.068 1.00 0.00 C ATOM 523 OG SER A 37 9.353 1.017 0.905 1.00 0.00 O ATOM 0 H SER A 37 11.149 -0.014 4.168 1.00 0.00 H new ATOM 0 HA SER A 37 11.511 1.952 2.240 1.00 0.00 H new ATOM 0 HB2 SER A 37 10.651 -0.315 1.787 1.00 0.00 H new ATOM 0 HB3 SER A 37 9.194 0.023 2.700 1.00 0.00 H new ATOM 0 HG SER A 37 8.885 0.306 0.419 1.00 0.00 H new ATOM 529 N TYR A 38 8.704 2.390 3.948 1.00 0.00 N ATOM 530 CA TYR A 38 7.719 3.390 4.340 1.00 0.00 C ATOM 531 C TYR A 38 8.390 4.724 4.650 1.00 0.00 C ATOM 532 O TYR A 38 8.063 5.750 4.053 1.00 0.00 O ATOM 533 CB TYR A 38 6.929 2.909 5.559 1.00 0.00 C ATOM 534 CG TYR A 38 6.155 4.007 6.251 1.00 0.00 C ATOM 535 CD1 TYR A 38 5.321 4.855 5.533 1.00 0.00 C ATOM 536 CD2 TYR A 38 6.257 4.198 7.624 1.00 0.00 C ATOM 537 CE1 TYR A 38 4.612 5.860 6.161 1.00 0.00 C ATOM 538 CE2 TYR A 38 5.551 5.200 8.260 1.00 0.00 C ATOM 539 CZ TYR A 38 4.730 6.029 7.525 1.00 0.00 C ATOM 540 OH TYR A 38 4.025 7.029 8.155 1.00 0.00 O ATOM 0 H TYR A 38 8.516 1.452 4.302 1.00 0.00 H new ATOM 0 HA TYR A 38 7.034 3.534 3.505 1.00 0.00 H new ATOM 0 HB2 TYR A 38 6.235 2.128 5.247 1.00 0.00 H new ATOM 0 HB3 TYR A 38 7.618 2.457 6.272 1.00 0.00 H new ATOM 0 HD1 TYR A 38 5.225 4.726 4.465 1.00 0.00 H new ATOM 0 HD2 TYR A 38 6.900 3.552 8.203 1.00 0.00 H new ATOM 0 HE1 TYR A 38 3.968 6.510 5.587 1.00 0.00 H new ATOM 0 HE2 TYR A 38 5.641 5.334 9.328 1.00 0.00 H new ATOM 0 HH TYR A 38 4.219 7.011 9.115 1.00 0.00 H new ATOM 550 N ARG A 39 9.332 4.701 5.588 1.00 0.00 N ATOM 551 CA ARG A 39 10.050 5.908 5.979 1.00 0.00 C ATOM 552 C ARG A 39 10.535 6.674 4.751 1.00 0.00 C ATOM 553 O ARG A 39 10.429 7.899 4.687 1.00 0.00 O ATOM 554 CB ARG A 39 11.239 5.553 6.874 1.00 0.00 C ATOM 555 CG ARG A 39 10.836 4.963 8.215 1.00 0.00 C ATOM 556 CD ARG A 39 12.038 4.785 9.129 1.00 0.00 C ATOM 557 NE ARG A 39 12.292 5.975 9.937 1.00 0.00 N ATOM 558 CZ ARG A 39 11.655 6.244 11.071 1.00 0.00 C ATOM 559 NH1 ARG A 39 10.732 5.410 11.530 1.00 0.00 N ATOM 560 NH2 ARG A 39 11.942 7.347 11.750 1.00 0.00 N ATOM 0 H ARG A 39 9.615 3.860 6.091 1.00 0.00 H new ATOM 0 HA ARG A 39 9.363 6.545 6.536 1.00 0.00 H new ATOM 0 HB2 ARG A 39 11.877 4.841 6.350 1.00 0.00 H new ATOM 0 HB3 ARG A 39 11.835 6.450 7.045 1.00 0.00 H new ATOM 0 HG2 ARG A 39 10.106 5.614 8.695 1.00 0.00 H new ATOM 0 HG3 ARG A 39 10.350 4.000 8.059 1.00 0.00 H new ATOM 0 HD2 ARG A 39 11.871 3.930 9.785 1.00 0.00 H new ATOM 0 HD3 ARG A 39 12.920 4.559 8.529 1.00 0.00 H new ATOM 0 HE ARG A 39 12.998 6.636 9.612 1.00 0.00 H new ATOM 0 HH11 ARG A 39 10.510 4.560 11.012 1.00 0.00 H new ATOM 0 HH12 ARG A 39 10.244 5.619 12.401 1.00 0.00 H new ATOM 0 HH21 ARG A 39 12.653 7.990 11.401 1.00 0.00 H new ATOM 0 HH22 ARG A 39 11.452 7.552 12.621 1.00 0.00 H new ATOM 574 N LYS A 40 11.070 5.943 3.778 1.00 0.00 N ATOM 575 CA LYS A 40 11.571 6.552 2.551 1.00 0.00 C ATOM 576 C LYS A 40 10.429 7.137 1.727 1.00 0.00 C ATOM 577 O LYS A 40 10.378 8.343 1.487 1.00 0.00 O ATOM 578 CB LYS A 40 12.336 5.518 1.721 1.00 0.00 C ATOM 579 CG LYS A 40 13.336 4.709 2.528 1.00 0.00 C ATOM 580 CD LYS A 40 13.641 3.377 1.863 1.00 0.00 C ATOM 581 CE LYS A 40 14.866 3.470 0.967 1.00 0.00 C ATOM 582 NZ LYS A 40 16.071 3.920 1.718 1.00 0.00 N ATOM 0 H LYS A 40 11.168 4.928 3.816 1.00 0.00 H new ATOM 0 HA LYS A 40 12.247 7.361 2.826 1.00 0.00 H new ATOM 0 HB2 LYS A 40 11.622 4.838 1.256 1.00 0.00 H new ATOM 0 HB3 LYS A 40 12.862 6.029 0.914 1.00 0.00 H new ATOM 0 HG2 LYS A 40 14.258 5.279 2.643 1.00 0.00 H new ATOM 0 HG3 LYS A 40 12.941 4.535 3.529 1.00 0.00 H new ATOM 0 HD2 LYS A 40 13.804 2.617 2.627 1.00 0.00 H new ATOM 0 HD3 LYS A 40 12.781 3.058 1.274 1.00 0.00 H new ATOM 0 HE2 LYS A 40 15.061 2.497 0.517 1.00 0.00 H new ATOM 0 HE3 LYS A 40 14.667 4.164 0.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 16.922 3.498 1.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 16.140 4.957 1.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 15.993 3.620 2.711 1.00 0.00 H new ATOM 596 N LEU A 41 9.513 6.275 1.299 1.00 0.00 N ATOM 597 CA LEU A 41 8.369 6.706 0.503 1.00 0.00 C ATOM 598 C LEU A 41 7.636 7.858 1.183 1.00 0.00 C ATOM 599 O LEU A 41 7.031 8.699 0.520 1.00 0.00 O ATOM 600 CB LEU A 41 7.409 5.537 0.278 1.00 0.00 C ATOM 601 CG LEU A 41 8.023 4.269 -0.316 1.00 0.00 C ATOM 602 CD1 LEU A 41 7.015 3.130 -0.302 1.00 0.00 C ATOM 603 CD2 LEU A 41 8.519 4.528 -1.731 1.00 0.00 C ATOM 0 H LEU A 41 9.540 5.273 1.490 1.00 0.00 H new ATOM 0 HA LEU A 41 8.739 7.054 -0.461 1.00 0.00 H new ATOM 0 HB2 LEU A 41 6.950 5.281 1.233 1.00 0.00 H new ATOM 0 HB3 LEU A 41 6.608 5.872 -0.381 1.00 0.00 H new ATOM 0 HG LEU A 41 8.875 3.980 0.299 1.00 0.00 H new ATOM 0 HD11 LEU A 41 7.470 2.236 -0.729 1.00 0.00 H new ATOM 0 HD12 LEU A 41 6.709 2.927 0.724 1.00 0.00 H new ATOM 0 HD13 LEU A 41 6.142 3.409 -0.892 1.00 0.00 H new ATOM 0 HD21 LEU A 41 8.953 3.614 -2.137 1.00 0.00 H new ATOM 0 HD22 LEU A 41 7.684 4.843 -2.357 1.00 0.00 H new ATOM 0 HD23 LEU A 41 9.276 5.312 -1.713 1.00 0.00 H new ATOM 615 N ALA A 42 7.696 7.889 2.511 1.00 0.00 N ATOM 616 CA ALA A 42 7.041 8.939 3.281 1.00 0.00 C ATOM 617 C ALA A 42 7.713 10.288 3.051 1.00 0.00 C ATOM 618 O ALA A 42 7.043 11.313 2.923 1.00 0.00 O ATOM 619 CB ALA A 42 7.046 8.589 4.761 1.00 0.00 C ATOM 0 H ALA A 42 8.192 7.199 3.075 1.00 0.00 H new ATOM 0 HA ALA A 42 6.008 9.015 2.941 1.00 0.00 H new ATOM 0 HB1 ALA A 42 6.554 9.382 5.324 1.00 0.00 H new ATOM 0 HB2 ALA A 42 6.514 7.650 4.915 1.00 0.00 H new ATOM 0 HB3 ALA A 42 8.074 8.484 5.106 1.00 0.00 H new ATOM 625 N LEU A 43 9.041 10.281 3.002 1.00 0.00 N ATOM 626 CA LEU A 43 9.805 11.506 2.789 1.00 0.00 C ATOM 627 C LEU A 43 9.696 11.970 1.341 1.00 0.00 C ATOM 628 O LEU A 43 9.638 13.169 1.064 1.00 0.00 O ATOM 629 CB LEU A 43 11.273 11.284 3.157 1.00 0.00 C ATOM 630 CG LEU A 43 11.663 11.622 4.596 1.00 0.00 C ATOM 631 CD1 LEU A 43 12.769 10.697 5.081 1.00 0.00 C ATOM 632 CD2 LEU A 43 12.097 13.077 4.704 1.00 0.00 C ATOM 0 H LEU A 43 9.611 9.441 3.107 1.00 0.00 H new ATOM 0 HA LEU A 43 9.389 12.282 3.432 1.00 0.00 H new ATOM 0 HB2 LEU A 43 11.519 10.239 2.971 1.00 0.00 H new ATOM 0 HB3 LEU A 43 11.889 11.881 2.485 1.00 0.00 H new ATOM 0 HG LEU A 43 10.790 11.476 5.232 1.00 0.00 H new ATOM 0 HD11 LEU A 43 13.033 10.953 6.107 1.00 0.00 H new ATOM 0 HD12 LEU A 43 12.423 9.664 5.042 1.00 0.00 H new ATOM 0 HD13 LEU A 43 13.645 10.810 4.442 1.00 0.00 H new ATOM 0 HD21 LEU A 43 12.371 13.299 5.735 1.00 0.00 H new ATOM 0 HD22 LEU A 43 12.956 13.250 4.055 1.00 0.00 H new ATOM 0 HD23 LEU A 43 11.276 13.725 4.399 1.00 0.00 H new ATOM 644 N LYS A 44 9.666 11.014 0.419 1.00 0.00 N ATOM 645 CA LYS A 44 9.560 11.324 -1.002 1.00 0.00 C ATOM 646 C LYS A 44 8.158 11.816 -1.349 1.00 0.00 C ATOM 647 O LYS A 44 7.997 12.803 -2.068 1.00 0.00 O ATOM 648 CB LYS A 44 9.900 10.089 -1.841 1.00 0.00 C ATOM 649 CG LYS A 44 9.606 10.260 -3.321 1.00 0.00 C ATOM 650 CD LYS A 44 9.932 8.999 -4.104 1.00 0.00 C ATOM 651 CE LYS A 44 9.053 8.865 -5.338 1.00 0.00 C ATOM 652 NZ LYS A 44 9.391 9.882 -6.372 1.00 0.00 N ATOM 0 H LYS A 44 9.714 10.017 0.630 1.00 0.00 H new ATOM 0 HA LYS A 44 10.271 12.118 -1.229 1.00 0.00 H new ATOM 0 HB2 LYS A 44 10.957 9.853 -1.714 1.00 0.00 H new ATOM 0 HB3 LYS A 44 9.336 9.237 -1.463 1.00 0.00 H new ATOM 0 HG2 LYS A 44 8.554 10.512 -3.457 1.00 0.00 H new ATOM 0 HG3 LYS A 44 10.187 11.094 -3.714 1.00 0.00 H new ATOM 0 HD2 LYS A 44 10.980 9.016 -4.403 1.00 0.00 H new ATOM 0 HD3 LYS A 44 9.797 8.127 -3.464 1.00 0.00 H new ATOM 0 HE2 LYS A 44 9.168 7.866 -5.759 1.00 0.00 H new ATOM 0 HE3 LYS A 44 8.007 8.972 -5.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 8.770 9.758 -7.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 9.257 10.835 -5.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 10.382 9.764 -6.664 1.00 0.00 H new ATOM 666 N TYR A 45 7.149 11.125 -0.832 1.00 0.00 N ATOM 667 CA TYR A 45 5.761 11.492 -1.088 1.00 0.00 C ATOM 668 C TYR A 45 5.211 12.362 0.039 1.00 0.00 C ATOM 669 O TYR A 45 4.036 12.267 0.395 1.00 0.00 O ATOM 670 CB TYR A 45 4.900 10.237 -1.245 1.00 0.00 C ATOM 671 CG TYR A 45 5.197 9.453 -2.503 1.00 0.00 C ATOM 672 CD1 TYR A 45 6.235 8.531 -2.541 1.00 0.00 C ATOM 673 CD2 TYR A 45 4.440 9.635 -3.653 1.00 0.00 C ATOM 674 CE1 TYR A 45 6.511 7.812 -3.688 1.00 0.00 C ATOM 675 CE2 TYR A 45 4.707 8.919 -4.804 1.00 0.00 C ATOM 676 CZ TYR A 45 5.744 8.009 -4.817 1.00 0.00 C ATOM 677 OH TYR A 45 6.014 7.296 -5.962 1.00 0.00 O ATOM 0 H TYR A 45 7.266 10.308 -0.233 1.00 0.00 H new ATOM 0 HA TYR A 45 5.728 12.065 -2.015 1.00 0.00 H new ATOM 0 HB2 TYR A 45 5.052 9.591 -0.380 1.00 0.00 H new ATOM 0 HB3 TYR A 45 3.849 10.525 -1.246 1.00 0.00 H new ATOM 0 HD1 TYR A 45 6.837 8.373 -1.658 1.00 0.00 H new ATOM 0 HD2 TYR A 45 3.629 10.348 -3.647 1.00 0.00 H new ATOM 0 HE1 TYR A 45 7.323 7.100 -3.700 1.00 0.00 H new ATOM 0 HE2 TYR A 45 4.107 9.071 -5.689 1.00 0.00 H new ATOM 0 HH TYR A 45 5.381 7.553 -6.664 1.00 0.00 H new ATOM 687 N HIS A 46 6.070 13.211 0.595 1.00 0.00 N ATOM 688 CA HIS A 46 5.671 14.100 1.680 1.00 0.00 C ATOM 689 C HIS A 46 4.600 15.081 1.214 1.00 0.00 C ATOM 690 O HIS A 46 4.641 15.598 0.097 1.00 0.00 O ATOM 691 CB HIS A 46 6.883 14.865 2.212 1.00 0.00 C ATOM 692 CG HIS A 46 6.778 15.221 3.663 1.00 0.00 C ATOM 693 ND1 HIS A 46 6.310 16.439 4.108 1.00 0.00 N ATOM 694 CD2 HIS A 46 7.081 14.508 4.774 1.00 0.00 C ATOM 695 CE1 HIS A 46 6.332 16.462 5.428 1.00 0.00 C ATOM 696 NE2 HIS A 46 6.795 15.302 5.857 1.00 0.00 N ATOM 0 H HIS A 46 7.046 13.302 0.312 1.00 0.00 H new ATOM 0 HA HIS A 46 5.255 13.490 2.482 1.00 0.00 H new ATOM 0 HB2 HIS A 46 7.778 14.263 2.058 1.00 0.00 H new ATOM 0 HB3 HIS A 46 7.009 15.778 1.631 1.00 0.00 H new ATOM 0 HD2 HIS A 46 7.474 13.503 4.803 1.00 0.00 H new ATOM 0 HE1 HIS A 46 6.024 17.289 6.051 1.00 0.00 H new ATOM 0 HE2 HIS A 46 6.920 15.039 6.834 1.00 0.00 H new ATOM 704 N PRO A 47 3.616 15.344 2.087 1.00 0.00 N ATOM 705 CA PRO A 47 2.516 16.264 1.786 1.00 0.00 C ATOM 706 C PRO A 47 2.976 17.716 1.718 1.00 0.00 C ATOM 707 O PRO A 47 2.499 18.490 0.888 1.00 0.00 O ATOM 708 CB PRO A 47 1.554 16.063 2.960 1.00 0.00 C ATOM 709 CG PRO A 47 2.415 15.579 4.076 1.00 0.00 C ATOM 710 CD PRO A 47 3.503 14.763 3.436 1.00 0.00 C ATOM 0 HA PRO A 47 2.071 16.061 0.812 1.00 0.00 H new ATOM 0 HB2 PRO A 47 1.050 16.993 3.223 1.00 0.00 H new ATOM 0 HB3 PRO A 47 0.777 15.338 2.716 1.00 0.00 H new ATOM 0 HG2 PRO A 47 2.833 16.415 4.637 1.00 0.00 H new ATOM 0 HG3 PRO A 47 1.840 14.978 4.780 1.00 0.00 H new ATOM 0 HD2 PRO A 47 4.440 14.841 3.987 1.00 0.00 H new ATOM 0 HD3 PRO A 47 3.242 13.705 3.398 1.00 0.00 H new ATOM 718 N ASP A 48 3.906 18.079 2.595 1.00 0.00 N ATOM 719 CA ASP A 48 4.432 19.438 2.633 1.00 0.00 C ATOM 720 C ASP A 48 5.236 19.745 1.373 1.00 0.00 C ATOM 721 O ASP A 48 5.168 20.850 0.834 1.00 0.00 O ATOM 722 CB ASP A 48 5.307 19.635 3.872 1.00 0.00 C ATOM 723 CG ASP A 48 5.987 20.990 3.891 1.00 0.00 C ATOM 724 OD1 ASP A 48 6.799 21.258 2.981 1.00 0.00 O ATOM 725 OD2 ASP A 48 5.708 21.781 4.816 1.00 0.00 O ATOM 0 H ASP A 48 4.311 17.451 3.289 1.00 0.00 H new ATOM 0 HA ASP A 48 3.588 20.126 2.681 1.00 0.00 H new ATOM 0 HB2 ASP A 48 4.694 19.527 4.767 1.00 0.00 H new ATOM 0 HB3 ASP A 48 6.064 18.851 3.907 1.00 0.00 H new ATOM 730 N LYS A 49 5.998 18.760 0.909 1.00 0.00 N ATOM 731 CA LYS A 49 6.816 18.923 -0.287 1.00 0.00 C ATOM 732 C LYS A 49 5.942 19.041 -1.531 1.00 0.00 C ATOM 733 O LYS A 49 6.330 19.669 -2.516 1.00 0.00 O ATOM 734 CB LYS A 49 7.779 17.743 -0.436 1.00 0.00 C ATOM 735 CG LYS A 49 8.698 17.553 0.759 1.00 0.00 C ATOM 736 CD LYS A 49 9.983 18.348 0.605 1.00 0.00 C ATOM 737 CE LYS A 49 10.664 18.571 1.947 1.00 0.00 C ATOM 738 NZ LYS A 49 11.629 19.705 1.898 1.00 0.00 N ATOM 0 H LYS A 49 6.066 17.840 1.344 1.00 0.00 H new ATOM 0 HA LYS A 49 7.392 19.842 -0.181 1.00 0.00 H new ATOM 0 HB2 LYS A 49 7.202 16.831 -0.589 1.00 0.00 H new ATOM 0 HB3 LYS A 49 8.385 17.890 -1.330 1.00 0.00 H new ATOM 0 HG2 LYS A 49 8.183 17.864 1.668 1.00 0.00 H new ATOM 0 HG3 LYS A 49 8.935 16.495 0.873 1.00 0.00 H new ATOM 0 HD2 LYS A 49 10.661 17.820 -0.065 1.00 0.00 H new ATOM 0 HD3 LYS A 49 9.764 19.310 0.143 1.00 0.00 H new ATOM 0 HE2 LYS A 49 9.910 18.769 2.709 1.00 0.00 H new ATOM 0 HE3 LYS A 49 11.187 17.662 2.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 12.072 19.825 2.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 12.364 19.505 1.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 11.126 20.578 1.639 1.00 0.00 H new ATOM 752 N ASN A 50 4.761 18.434 -1.479 1.00 0.00 N ATOM 753 CA ASN A 50 3.832 18.471 -2.603 1.00 0.00 C ATOM 754 C ASN A 50 2.572 19.252 -2.241 1.00 0.00 C ATOM 755 O ASN A 50 1.567 18.691 -1.805 1.00 0.00 O ATOM 756 CB ASN A 50 3.459 17.051 -3.031 1.00 0.00 C ATOM 757 CG ASN A 50 4.667 16.241 -3.461 1.00 0.00 C ATOM 758 OD1 ASN A 50 4.889 16.020 -4.651 1.00 0.00 O ATOM 759 ND2 ASN A 50 5.455 15.793 -2.490 1.00 0.00 N ATOM 0 H ASN A 50 4.424 17.911 -0.671 1.00 0.00 H new ATOM 0 HA ASN A 50 4.326 18.975 -3.434 1.00 0.00 H new ATOM 0 HB2 ASN A 50 2.961 16.544 -2.205 1.00 0.00 H new ATOM 0 HB3 ASN A 50 2.745 17.098 -3.853 1.00 0.00 H new ATOM 0 HD21 ASN A 50 6.282 15.242 -2.718 1.00 0.00 H new ATOM 0 HD22 ASN A 50 5.233 16.000 -1.516 1.00 0.00 H new ATOM 766 N PRO A 51 2.626 20.580 -2.426 1.00 0.00 N ATOM 767 CA PRO A 51 1.498 21.467 -2.126 1.00 0.00 C ATOM 768 C PRO A 51 0.339 21.280 -3.099 1.00 0.00 C ATOM 769 O PRO A 51 0.520 21.349 -4.315 1.00 0.00 O ATOM 770 CB PRO A 51 2.099 22.867 -2.273 1.00 0.00 C ATOM 771 CG PRO A 51 3.244 22.691 -3.210 1.00 0.00 C ATOM 772 CD PRO A 51 3.792 21.317 -2.941 1.00 0.00 C ATOM 0 HA PRO A 51 1.076 21.271 -1.140 1.00 0.00 H new ATOM 0 HB2 PRO A 51 1.368 23.572 -2.669 1.00 0.00 H new ATOM 0 HB3 PRO A 51 2.431 23.258 -1.311 1.00 0.00 H new ATOM 0 HG2 PRO A 51 2.918 22.785 -4.246 1.00 0.00 H new ATOM 0 HG3 PRO A 51 4.005 23.454 -3.044 1.00 0.00 H new ATOM 0 HD2 PRO A 51 4.189 20.858 -3.846 1.00 0.00 H new ATOM 0 HD3 PRO A 51 4.604 21.343 -2.214 1.00 0.00 H new ATOM 780 N ASP A 52 -0.850 21.042 -2.557 1.00 0.00 N ATOM 781 CA ASP A 52 -2.040 20.847 -3.378 1.00 0.00 C ATOM 782 C ASP A 52 -1.745 19.913 -4.548 1.00 0.00 C ATOM 783 O ASP A 52 -2.021 20.241 -5.701 1.00 0.00 O ATOM 784 CB ASP A 52 -2.553 22.190 -3.898 1.00 0.00 C ATOM 785 CG ASP A 52 -2.976 23.121 -2.779 1.00 0.00 C ATOM 786 OD1 ASP A 52 -3.743 22.680 -1.899 1.00 0.00 O ATOM 787 OD2 ASP A 52 -2.540 24.292 -2.784 1.00 0.00 O ATOM 0 H ASP A 52 -1.016 20.979 -1.553 1.00 0.00 H new ATOM 0 HA ASP A 52 -2.810 20.390 -2.756 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -1.773 22.669 -4.490 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -3.399 22.019 -4.564 1.00 0.00 H new ATOM 792 N ASN A 53 -1.181 18.749 -4.242 1.00 0.00 N ATOM 793 CA ASN A 53 -0.847 17.768 -5.268 1.00 0.00 C ATOM 794 C ASN A 53 -1.753 16.545 -5.168 1.00 0.00 C ATOM 795 O ASN A 53 -1.772 15.837 -4.161 1.00 0.00 O ATOM 796 CB ASN A 53 0.617 17.344 -5.140 1.00 0.00 C ATOM 797 CG ASN A 53 0.992 16.254 -6.126 1.00 0.00 C ATOM 798 OD1 ASN A 53 0.125 15.637 -6.745 1.00 0.00 O ATOM 799 ND2 ASN A 53 2.289 16.011 -6.275 1.00 0.00 N ATOM 0 H ASN A 53 -0.946 18.462 -3.292 1.00 0.00 H new ATOM 0 HA ASN A 53 -1.000 18.232 -6.242 1.00 0.00 H new ATOM 0 HB2 ASN A 53 1.259 18.211 -5.299 1.00 0.00 H new ATOM 0 HB3 ASN A 53 0.803 16.992 -4.125 1.00 0.00 H new ATOM 0 HD21 ASN A 53 2.601 15.288 -6.923 1.00 0.00 H new ATOM 0 HD22 ASN A 53 2.973 16.547 -5.741 1.00 0.00 H new ATOM 806 N PRO A 54 -2.523 16.290 -6.236 1.00 0.00 N ATOM 807 CA PRO A 54 -3.445 15.152 -6.293 1.00 0.00 C ATOM 808 C PRO A 54 -2.714 13.817 -6.379 1.00 0.00 C ATOM 809 O PRO A 54 -2.986 12.899 -5.606 1.00 0.00 O ATOM 810 CB PRO A 54 -4.245 15.407 -7.573 1.00 0.00 C ATOM 811 CG PRO A 54 -3.346 16.239 -8.421 1.00 0.00 C ATOM 812 CD PRO A 54 -2.553 17.092 -7.470 1.00 0.00 C ATOM 0 HA PRO A 54 -4.061 15.081 -5.396 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -4.505 14.473 -8.070 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -5.180 15.926 -7.359 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -2.689 15.613 -9.024 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -3.921 16.856 -9.112 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -1.549 17.287 -7.847 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -3.027 18.060 -7.308 1.00 0.00 H new ATOM 820 N GLU A 55 -1.784 13.716 -7.324 1.00 0.00 N ATOM 821 CA GLU A 55 -1.014 12.492 -7.509 1.00 0.00 C ATOM 822 C GLU A 55 -0.261 12.124 -6.234 1.00 0.00 C ATOM 823 O GLU A 55 -0.186 10.954 -5.860 1.00 0.00 O ATOM 824 CB GLU A 55 -0.027 12.654 -8.668 1.00 0.00 C ATOM 825 CG GLU A 55 0.904 13.845 -8.512 1.00 0.00 C ATOM 826 CD GLU A 55 2.108 13.768 -9.431 1.00 0.00 C ATOM 827 OE1 GLU A 55 1.927 13.913 -10.658 1.00 0.00 O ATOM 828 OE2 GLU A 55 3.230 13.563 -8.923 1.00 0.00 O ATOM 0 H GLU A 55 -1.546 14.467 -7.972 1.00 0.00 H new ATOM 0 HA GLU A 55 -1.711 11.687 -7.744 1.00 0.00 H new ATOM 0 HB2 GLU A 55 0.570 11.746 -8.756 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -0.586 12.759 -9.598 1.00 0.00 H new ATOM 0 HG2 GLU A 55 0.352 14.762 -8.718 1.00 0.00 H new ATOM 0 HG3 GLU A 55 1.244 13.903 -7.478 1.00 0.00 H new ATOM 835 N ALA A 56 0.296 13.132 -5.571 1.00 0.00 N ATOM 836 CA ALA A 56 1.041 12.916 -4.337 1.00 0.00 C ATOM 837 C ALA A 56 0.133 12.384 -3.233 1.00 0.00 C ATOM 838 O ALA A 56 0.507 11.474 -2.493 1.00 0.00 O ATOM 839 CB ALA A 56 1.714 14.206 -3.894 1.00 0.00 C ATOM 0 H ALA A 56 0.245 14.106 -5.868 1.00 0.00 H new ATOM 0 HA ALA A 56 1.809 12.167 -4.532 1.00 0.00 H new ATOM 0 HB1 ALA A 56 2.267 14.030 -2.971 1.00 0.00 H new ATOM 0 HB2 ALA A 56 2.401 14.543 -4.670 1.00 0.00 H new ATOM 0 HB3 ALA A 56 0.957 14.971 -3.723 1.00 0.00 H new ATOM 845 N ALA A 57 -1.061 12.958 -3.127 1.00 0.00 N ATOM 846 CA ALA A 57 -2.022 12.541 -2.114 1.00 0.00 C ATOM 847 C ALA A 57 -2.526 11.127 -2.385 1.00 0.00 C ATOM 848 O ALA A 57 -2.568 10.290 -1.483 1.00 0.00 O ATOM 849 CB ALA A 57 -3.188 13.517 -2.059 1.00 0.00 C ATOM 0 H ALA A 57 -1.386 13.713 -3.731 1.00 0.00 H new ATOM 0 HA ALA A 57 -1.517 12.540 -1.148 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -3.898 13.193 -1.298 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -2.818 14.512 -1.810 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -3.684 13.546 -3.029 1.00 0.00 H new ATOM 855 N ASP A 58 -2.907 10.868 -3.631 1.00 0.00 N ATOM 856 CA ASP A 58 -3.407 9.555 -4.020 1.00 0.00 C ATOM 857 C ASP A 58 -2.402 8.463 -3.666 1.00 0.00 C ATOM 858 O ASP A 58 -2.780 7.364 -3.259 1.00 0.00 O ATOM 859 CB ASP A 58 -3.706 9.523 -5.520 1.00 0.00 C ATOM 860 CG ASP A 58 -4.785 8.519 -5.874 1.00 0.00 C ATOM 861 OD1 ASP A 58 -4.524 7.303 -5.763 1.00 0.00 O ATOM 862 OD2 ASP A 58 -5.892 8.949 -6.263 1.00 0.00 O ATOM 0 H ASP A 58 -2.879 11.550 -4.389 1.00 0.00 H new ATOM 0 HA ASP A 58 -4.329 9.367 -3.469 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.016 10.516 -5.847 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -2.794 9.279 -6.064 1.00 0.00 H new ATOM 867 N LYS A 59 -1.120 8.773 -3.824 1.00 0.00 N ATOM 868 CA LYS A 59 -0.059 7.820 -3.522 1.00 0.00 C ATOM 869 C LYS A 59 0.196 7.748 -2.019 1.00 0.00 C ATOM 870 O LYS A 59 0.154 6.672 -1.423 1.00 0.00 O ATOM 871 CB LYS A 59 1.229 8.210 -4.250 1.00 0.00 C ATOM 872 CG LYS A 59 1.277 7.740 -5.694 1.00 0.00 C ATOM 873 CD LYS A 59 1.467 6.235 -5.785 1.00 0.00 C ATOM 874 CE LYS A 59 1.530 5.768 -7.231 1.00 0.00 C ATOM 875 NZ LYS A 59 2.851 6.064 -7.852 1.00 0.00 N ATOM 0 H LYS A 59 -0.790 9.678 -4.160 1.00 0.00 H new ATOM 0 HA LYS A 59 -0.380 6.837 -3.866 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.336 9.294 -4.226 1.00 0.00 H new ATOM 0 HB3 LYS A 59 2.081 7.793 -3.712 1.00 0.00 H new ATOM 0 HG2 LYS A 59 0.354 8.022 -6.200 1.00 0.00 H new ATOM 0 HG3 LYS A 59 2.092 8.243 -6.214 1.00 0.00 H new ATOM 0 HD2 LYS A 59 2.385 5.951 -5.270 1.00 0.00 H new ATOM 0 HD3 LYS A 59 0.646 5.732 -5.274 1.00 0.00 H new ATOM 0 HE2 LYS A 59 1.340 4.696 -7.275 1.00 0.00 H new ATOM 0 HE3 LYS A 59 0.742 6.255 -7.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 2.854 5.731 -8.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 3.021 7.090 -7.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 3.601 5.579 -7.320 1.00 0.00 H new ATOM 889 N PHE A 60 0.460 8.901 -1.413 1.00 0.00 N ATOM 890 CA PHE A 60 0.721 8.969 0.020 1.00 0.00 C ATOM 891 C PHE A 60 -0.273 8.110 0.795 1.00 0.00 C ATOM 892 O PHE A 60 0.114 7.275 1.613 1.00 0.00 O ATOM 893 CB PHE A 60 0.648 10.418 0.505 1.00 0.00 C ATOM 894 CG PHE A 60 1.371 10.654 1.800 1.00 0.00 C ATOM 895 CD1 PHE A 60 2.701 10.292 1.943 1.00 0.00 C ATOM 896 CD2 PHE A 60 0.720 11.238 2.875 1.00 0.00 C ATOM 897 CE1 PHE A 60 3.367 10.507 3.134 1.00 0.00 C ATOM 898 CE2 PHE A 60 1.382 11.456 4.069 1.00 0.00 C ATOM 899 CZ PHE A 60 2.708 11.091 4.198 1.00 0.00 C ATOM 0 H PHE A 60 0.499 9.801 -1.892 1.00 0.00 H new ATOM 0 HA PHE A 60 1.725 8.584 0.200 1.00 0.00 H new ATOM 0 HB2 PHE A 60 1.068 11.070 -0.260 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -0.398 10.700 0.625 1.00 0.00 H new ATOM 0 HD1 PHE A 60 3.223 9.837 1.114 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -0.316 11.526 2.779 1.00 0.00 H new ATOM 0 HE1 PHE A 60 4.403 10.218 3.233 1.00 0.00 H new ATOM 0 HE2 PHE A 60 0.863 11.911 4.900 1.00 0.00 H new ATOM 0 HZ PHE A 60 3.228 11.262 5.129 1.00 0.00 H new ATOM 909 N LYS A 61 -1.559 8.322 0.533 1.00 0.00 N ATOM 910 CA LYS A 61 -2.611 7.569 1.205 1.00 0.00 C ATOM 911 C LYS A 61 -2.418 6.069 1.006 1.00 0.00 C ATOM 912 O LYS A 61 -2.769 5.269 1.873 1.00 0.00 O ATOM 913 CB LYS A 61 -3.984 7.991 0.677 1.00 0.00 C ATOM 914 CG LYS A 61 -4.224 7.604 -0.772 1.00 0.00 C ATOM 915 CD LYS A 61 -5.684 7.773 -1.160 1.00 0.00 C ATOM 916 CE LYS A 61 -6.085 9.240 -1.198 1.00 0.00 C ATOM 917 NZ LYS A 61 -7.552 9.418 -1.020 1.00 0.00 N ATOM 0 H LYS A 61 -1.897 9.010 -0.140 1.00 0.00 H new ATOM 0 HA LYS A 61 -2.555 7.787 2.272 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -4.757 7.539 1.298 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -4.086 9.072 0.777 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -3.600 8.218 -1.422 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -3.923 6.568 -0.928 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -5.856 7.322 -2.137 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -6.315 7.241 -0.448 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -5.556 9.782 -0.414 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -5.779 9.676 -2.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -7.785 10.431 -1.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -8.057 8.922 -1.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -7.840 9.025 -0.101 1.00 0.00 H new ATOM 931 N GLU A 62 -1.855 5.695 -0.139 1.00 0.00 N ATOM 932 CA GLU A 62 -1.615 4.291 -0.449 1.00 0.00 C ATOM 933 C GLU A 62 -0.415 3.759 0.330 1.00 0.00 C ATOM 934 O GLU A 62 -0.421 2.621 0.799 1.00 0.00 O ATOM 935 CB GLU A 62 -1.383 4.110 -1.950 1.00 0.00 C ATOM 936 CG GLU A 62 -2.650 3.798 -2.729 1.00 0.00 C ATOM 937 CD GLU A 62 -2.367 3.352 -4.150 1.00 0.00 C ATOM 938 OE1 GLU A 62 -1.444 3.914 -4.776 1.00 0.00 O ATOM 939 OE2 GLU A 62 -3.069 2.440 -4.636 1.00 0.00 O ATOM 0 H GLU A 62 -1.557 6.345 -0.867 1.00 0.00 H new ATOM 0 HA GLU A 62 -2.498 3.724 -0.154 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -0.934 5.018 -2.352 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -0.665 3.305 -2.103 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -3.207 3.017 -2.211 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -3.286 4.683 -2.750 1.00 0.00 H new ATOM 946 N ILE A 63 0.612 4.592 0.464 1.00 0.00 N ATOM 947 CA ILE A 63 1.818 4.206 1.186 1.00 0.00 C ATOM 948 C ILE A 63 1.507 3.883 2.643 1.00 0.00 C ATOM 949 O ILE A 63 1.877 2.824 3.147 1.00 0.00 O ATOM 950 CB ILE A 63 2.884 5.317 1.134 1.00 0.00 C ATOM 951 CG1 ILE A 63 3.102 5.778 -0.308 1.00 0.00 C ATOM 952 CG2 ILE A 63 4.189 4.827 1.743 1.00 0.00 C ATOM 953 CD1 ILE A 63 4.063 6.940 -0.432 1.00 0.00 C ATOM 0 H ILE A 63 0.633 5.538 0.082 1.00 0.00 H new ATOM 0 HA ILE A 63 2.209 3.315 0.695 1.00 0.00 H new ATOM 0 HB ILE A 63 2.530 6.167 1.717 1.00 0.00 H new ATOM 0 HG12 ILE A 63 3.479 4.941 -0.895 1.00 0.00 H new ATOM 0 HG13 ILE A 63 2.142 6.063 -0.739 1.00 0.00 H new ATOM 0 HG21 ILE A 63 4.932 5.623 1.699 1.00 0.00 H new ATOM 0 HG22 ILE A 63 4.022 4.544 2.782 1.00 0.00 H new ATOM 0 HG23 ILE A 63 4.549 3.963 1.185 1.00 0.00 H new ATOM 0 HD11 ILE A 63 4.170 7.214 -1.482 1.00 0.00 H new ATOM 0 HD12 ILE A 63 3.678 7.792 0.128 1.00 0.00 H new ATOM 0 HD13 ILE A 63 5.035 6.653 -0.031 1.00 0.00 H new ATOM 965 N ASN A 64 0.821 4.803 3.314 1.00 0.00 N ATOM 966 CA ASN A 64 0.458 4.615 4.714 1.00 0.00 C ATOM 967 C ASN A 64 -0.481 3.423 4.877 1.00 0.00 C ATOM 968 O ASN A 64 -0.307 2.602 5.777 1.00 0.00 O ATOM 969 CB ASN A 64 -0.205 5.879 5.265 1.00 0.00 C ATOM 970 CG ASN A 64 -1.710 5.871 5.079 1.00 0.00 C ATOM 971 OD1 ASN A 64 -2.412 5.036 5.649 1.00 0.00 O ATOM 972 ND2 ASN A 64 -2.212 6.803 4.277 1.00 0.00 N ATOM 0 H ASN A 64 0.506 5.685 2.911 1.00 0.00 H new ATOM 0 HA ASN A 64 1.370 4.416 5.276 1.00 0.00 H new ATOM 0 HB2 ASN A 64 0.027 5.974 6.326 1.00 0.00 H new ATOM 0 HB3 ASN A 64 0.215 6.753 4.767 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -3.218 6.847 4.113 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -1.592 7.475 3.825 1.00 0.00 H new ATOM 979 N ASN A 65 -1.475 3.335 4.000 1.00 0.00 N ATOM 980 CA ASN A 65 -2.442 2.244 4.047 1.00 0.00 C ATOM 981 C ASN A 65 -1.746 0.895 3.893 1.00 0.00 C ATOM 982 O ASN A 65 -1.878 0.017 4.745 1.00 0.00 O ATOM 983 CB ASN A 65 -3.491 2.417 2.947 1.00 0.00 C ATOM 984 CG ASN A 65 -4.533 1.315 2.963 1.00 0.00 C ATOM 985 OD1 ASN A 65 -5.523 1.392 3.690 1.00 0.00 O ATOM 986 ND2 ASN A 65 -4.312 0.281 2.159 1.00 0.00 N ATOM 0 H ASN A 65 -1.632 4.006 3.248 1.00 0.00 H new ATOM 0 HA ASN A 65 -2.936 2.270 5.018 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -3.984 3.381 3.068 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -2.996 2.431 1.976 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -4.977 -0.492 2.127 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -3.477 0.260 1.573 1.00 0.00 H new ATOM 993 N ALA A 66 -1.005 0.738 2.801 1.00 0.00 N ATOM 994 CA ALA A 66 -0.287 -0.503 2.537 1.00 0.00 C ATOM 995 C ALA A 66 0.719 -0.801 3.643 1.00 0.00 C ATOM 996 O ALA A 66 0.781 -1.919 4.155 1.00 0.00 O ATOM 997 CB ALA A 66 0.414 -0.429 1.189 1.00 0.00 C ATOM 0 H ALA A 66 -0.886 1.455 2.085 1.00 0.00 H new ATOM 0 HA ALA A 66 -1.012 -1.316 2.513 1.00 0.00 H new ATOM 0 HB1 ALA A 66 0.946 -1.362 1.004 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -0.324 -0.271 0.403 1.00 0.00 H new ATOM 0 HB3 ALA A 66 1.123 0.399 1.193 1.00 0.00 H new ATOM 1003 N HIS A 67 1.506 0.206 4.008 1.00 0.00 N ATOM 1004 CA HIS A 67 2.510 0.051 5.055 1.00 0.00 C ATOM 1005 C HIS A 67 1.881 -0.485 6.336 1.00 0.00 C ATOM 1006 O HIS A 67 2.344 -1.477 6.899 1.00 0.00 O ATOM 1007 CB HIS A 67 3.199 1.388 5.332 1.00 0.00 C ATOM 1008 CG HIS A 67 3.988 1.403 6.605 1.00 0.00 C ATOM 1009 ND1 HIS A 67 5.142 0.780 6.939 1.00 0.00 N flip ATOM 1010 CD2 HIS A 67 3.606 2.121 7.718 1.00 0.00 C flip ATOM 1011 CE1 HIS A 67 5.434 1.131 8.234 1.00 0.00 C flip ATOM 1012 NE2 HIS A 67 4.492 1.941 8.681 1.00 0.00 N flip ATOM 0 H HIS A 67 1.468 1.138 3.595 1.00 0.00 H new ATOM 0 HA HIS A 67 3.253 -0.667 4.708 1.00 0.00 H new ATOM 0 HB2 HIS A 67 3.863 1.625 4.500 1.00 0.00 H new ATOM 0 HB3 HIS A 67 2.445 2.174 5.372 1.00 0.00 H new ATOM 0 HD2 HIS A 67 2.720 2.735 7.791 1.00 0.00 H new ATOM 0 HE1 HIS A 67 6.294 0.799 8.796 1.00 0.00 H new ATOM 0 HE2 HIS A 67 4.455 2.357 9.612 1.00 0.00 H new ATOM 1020 N ALA A 68 0.823 0.177 6.793 1.00 0.00 N ATOM 1021 CA ALA A 68 0.130 -0.234 8.007 1.00 0.00 C ATOM 1022 C ALA A 68 -0.297 -1.696 7.928 1.00 0.00 C ATOM 1023 O ALA A 68 -0.025 -2.482 8.836 1.00 0.00 O ATOM 1024 CB ALA A 68 -1.078 0.658 8.253 1.00 0.00 C ATOM 0 H ALA A 68 0.427 1.001 6.340 1.00 0.00 H new ATOM 0 HA ALA A 68 0.821 -0.130 8.843 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -1.586 0.339 9.163 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -0.751 1.692 8.363 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -1.764 0.583 7.409 1.00 0.00 H new ATOM 1030 N ILE A 69 -0.967 -2.053 6.837 1.00 0.00 N ATOM 1031 CA ILE A 69 -1.430 -3.421 6.640 1.00 0.00 C ATOM 1032 C ILE A 69 -0.273 -4.411 6.722 1.00 0.00 C ATOM 1033 O ILE A 69 -0.311 -5.363 7.503 1.00 0.00 O ATOM 1034 CB ILE A 69 -2.136 -3.585 5.281 1.00 0.00 C ATOM 1035 CG1 ILE A 69 -3.359 -2.670 5.202 1.00 0.00 C ATOM 1036 CG2 ILE A 69 -2.539 -5.036 5.065 1.00 0.00 C ATOM 1037 CD1 ILE A 69 -3.913 -2.519 3.803 1.00 0.00 C ATOM 0 H ILE A 69 -1.201 -1.414 6.077 1.00 0.00 H new ATOM 0 HA ILE A 69 -2.142 -3.632 7.438 1.00 0.00 H new ATOM 0 HB ILE A 69 -1.441 -3.299 4.491 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -4.140 -3.064 5.852 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -3.091 -1.686 5.586 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -3.037 -5.136 4.100 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -1.650 -5.667 5.082 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -3.219 -5.347 5.858 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -4.778 -1.857 3.824 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -3.148 -2.096 3.152 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -4.213 -3.496 3.423 1.00 0.00 H new ATOM 1049 N LEU A 70 0.755 -4.179 5.914 1.00 0.00 N ATOM 1050 CA LEU A 70 1.926 -5.049 5.896 1.00 0.00 C ATOM 1051 C LEU A 70 2.562 -5.134 7.280 1.00 0.00 C ATOM 1052 O LEU A 70 3.021 -6.196 7.701 1.00 0.00 O ATOM 1053 CB LEU A 70 2.950 -4.539 4.881 1.00 0.00 C ATOM 1054 CG LEU A 70 2.538 -4.625 3.411 1.00 0.00 C ATOM 1055 CD1 LEU A 70 3.578 -3.956 2.526 1.00 0.00 C ATOM 1056 CD2 LEU A 70 2.336 -6.075 2.998 1.00 0.00 C ATOM 0 H LEU A 70 0.802 -3.396 5.262 1.00 0.00 H new ATOM 0 HA LEU A 70 1.602 -6.048 5.604 1.00 0.00 H new ATOM 0 HB2 LEU A 70 3.176 -3.498 5.114 1.00 0.00 H new ATOM 0 HB3 LEU A 70 3.874 -5.103 5.012 1.00 0.00 H new ATOM 0 HG LEU A 70 1.592 -4.098 3.287 1.00 0.00 H new ATOM 0 HD11 LEU A 70 3.268 -4.027 1.483 1.00 0.00 H new ATOM 0 HD12 LEU A 70 3.673 -2.907 2.806 1.00 0.00 H new ATOM 0 HD13 LEU A 70 4.539 -4.454 2.654 1.00 0.00 H new ATOM 0 HD21 LEU A 70 2.043 -6.117 1.949 1.00 0.00 H new ATOM 0 HD22 LEU A 70 3.266 -6.626 3.137 1.00 0.00 H new ATOM 0 HD23 LEU A 70 1.554 -6.522 3.611 1.00 0.00 H new ATOM 1068 N THR A 71 2.585 -4.007 7.985 1.00 0.00 N ATOM 1069 CA THR A 71 3.164 -3.953 9.322 1.00 0.00 C ATOM 1070 C THR A 71 2.156 -4.396 10.376 1.00 0.00 C ATOM 1071 O THR A 71 2.056 -3.794 11.445 1.00 0.00 O ATOM 1072 CB THR A 71 3.657 -2.535 9.664 1.00 0.00 C ATOM 1073 OG1 THR A 71 2.568 -1.608 9.596 1.00 0.00 O ATOM 1074 CG2 THR A 71 4.759 -2.100 8.709 1.00 0.00 C ATOM 0 H THR A 71 2.209 -3.119 7.652 1.00 0.00 H new ATOM 0 HA THR A 71 4.014 -4.636 9.326 1.00 0.00 H new ATOM 0 HB THR A 71 4.060 -2.549 10.677 1.00 0.00 H new ATOM 0 HG1 THR A 71 2.354 -1.423 8.658 1.00 0.00 H new ATOM 0 HG21 THR A 71 5.091 -1.095 8.970 1.00 0.00 H new ATOM 0 HG22 THR A 71 5.599 -2.791 8.784 1.00 0.00 H new ATOM 0 HG23 THR A 71 4.377 -2.102 7.688 1.00 0.00 H new ATOM 1082 N ASP A 72 1.410 -5.451 10.068 1.00 0.00 N ATOM 1083 CA ASP A 72 0.410 -5.976 10.990 1.00 0.00 C ATOM 1084 C ASP A 72 0.066 -7.424 10.653 1.00 0.00 C ATOM 1085 O ASP A 72 -0.347 -7.729 9.534 1.00 0.00 O ATOM 1086 CB ASP A 72 -0.854 -5.116 10.949 1.00 0.00 C ATOM 1087 CG ASP A 72 -1.805 -5.429 12.088 1.00 0.00 C ATOM 1088 OD1 ASP A 72 -2.223 -6.600 12.207 1.00 0.00 O ATOM 1089 OD2 ASP A 72 -2.130 -4.504 12.860 1.00 0.00 O ATOM 0 H ASP A 72 1.479 -5.960 9.187 1.00 0.00 H new ATOM 0 HA ASP A 72 0.828 -5.946 11.996 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -0.575 -4.063 10.991 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -1.365 -5.272 9.999 1.00 0.00 H new ATOM 1094 N ALA A 73 0.240 -8.311 11.627 1.00 0.00 N ATOM 1095 CA ALA A 73 -0.052 -9.725 11.433 1.00 0.00 C ATOM 1096 C ALA A 73 -1.477 -9.927 10.930 1.00 0.00 C ATOM 1097 O ALA A 73 -1.695 -10.503 9.863 1.00 0.00 O ATOM 1098 CB ALA A 73 0.165 -10.492 12.730 1.00 0.00 C ATOM 0 H ALA A 73 0.582 -8.075 12.559 1.00 0.00 H new ATOM 0 HA ALA A 73 0.631 -10.111 10.676 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -0.057 -11.547 12.570 1.00 0.00 H new ATOM 0 HB2 ALA A 73 1.202 -10.383 13.048 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -0.494 -10.095 13.502 1.00 0.00 H new ATOM 1104 N THR A 74 -2.447 -9.450 11.704 1.00 0.00 N ATOM 1105 CA THR A 74 -3.852 -9.580 11.337 1.00 0.00 C ATOM 1106 C THR A 74 -4.088 -9.132 9.899 1.00 0.00 C ATOM 1107 O THR A 74 -4.589 -9.896 9.074 1.00 0.00 O ATOM 1108 CB THR A 74 -4.755 -8.757 12.275 1.00 0.00 C ATOM 1109 OG1 THR A 74 -4.508 -9.120 13.637 1.00 0.00 O ATOM 1110 CG2 THR A 74 -6.223 -8.979 11.944 1.00 0.00 C ATOM 0 H THR A 74 -2.285 -8.970 12.589 1.00 0.00 H new ATOM 0 HA THR A 74 -4.108 -10.635 11.432 1.00 0.00 H new ATOM 0 HB THR A 74 -4.522 -7.702 12.134 1.00 0.00 H new ATOM 0 HG1 THR A 74 -5.085 -8.591 14.226 1.00 0.00 H new ATOM 0 HG21 THR A 74 -6.842 -8.388 12.619 1.00 0.00 H new ATOM 0 HG22 THR A 74 -6.414 -8.673 10.915 1.00 0.00 H new ATOM 0 HG23 THR A 74 -6.466 -10.035 12.060 1.00 0.00 H new ATOM 1118 N LYS A 75 -3.725 -7.888 9.605 1.00 0.00 N ATOM 1119 CA LYS A 75 -3.895 -7.338 8.265 1.00 0.00 C ATOM 1120 C LYS A 75 -3.231 -8.230 7.222 1.00 0.00 C ATOM 1121 O LYS A 75 -3.843 -8.586 6.215 1.00 0.00 O ATOM 1122 CB LYS A 75 -3.309 -5.926 8.193 1.00 0.00 C ATOM 1123 CG LYS A 75 -3.893 -4.971 9.220 1.00 0.00 C ATOM 1124 CD LYS A 75 -5.091 -4.219 8.664 1.00 0.00 C ATOM 1125 CE LYS A 75 -6.393 -4.945 8.964 1.00 0.00 C ATOM 1126 NZ LYS A 75 -6.910 -4.617 10.322 1.00 0.00 N ATOM 0 H LYS A 75 -3.311 -7.242 10.277 1.00 0.00 H new ATOM 0 HA LYS A 75 -4.963 -7.293 8.051 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -2.230 -5.982 8.334 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -3.479 -5.522 7.195 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -4.192 -5.528 10.108 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -3.129 -4.260 9.533 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -5.124 -3.218 9.093 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -4.979 -4.100 7.586 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -7.139 -4.676 8.216 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -6.236 -6.021 8.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -7.798 -5.131 10.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -6.209 -4.896 11.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -7.084 -3.594 10.389 1.00 0.00 H new ATOM 1140 N ARG A 76 -1.975 -8.588 7.470 1.00 0.00 N ATOM 1141 CA ARG A 76 -1.228 -9.439 6.551 1.00 0.00 C ATOM 1142 C ARG A 76 -1.993 -10.727 6.259 1.00 0.00 C ATOM 1143 O ARG A 76 -2.198 -11.089 5.101 1.00 0.00 O ATOM 1144 CB ARG A 76 0.147 -9.772 7.134 1.00 0.00 C ATOM 1145 CG ARG A 76 1.196 -8.705 6.866 1.00 0.00 C ATOM 1146 CD ARG A 76 1.640 -8.714 5.412 1.00 0.00 C ATOM 1147 NE ARG A 76 2.332 -9.950 5.058 1.00 0.00 N ATOM 1148 CZ ARG A 76 1.714 -11.034 4.604 1.00 0.00 C ATOM 1149 NH1 ARG A 76 0.398 -11.035 4.449 1.00 0.00 N ATOM 1150 NH2 ARG A 76 2.414 -12.121 4.304 1.00 0.00 N ATOM 0 H ARG A 76 -1.454 -8.302 8.299 1.00 0.00 H new ATOM 0 HA ARG A 76 -1.097 -8.894 5.616 1.00 0.00 H new ATOM 0 HB2 ARG A 76 0.051 -9.913 8.211 1.00 0.00 H new ATOM 0 HB3 ARG A 76 0.489 -10.719 6.717 1.00 0.00 H new ATOM 0 HG2 ARG A 76 0.792 -7.725 7.118 1.00 0.00 H new ATOM 0 HG3 ARG A 76 2.058 -8.870 7.512 1.00 0.00 H new ATOM 0 HD2 ARG A 76 0.771 -8.588 4.767 1.00 0.00 H new ATOM 0 HD3 ARG A 76 2.298 -7.865 5.229 1.00 0.00 H new ATOM 0 HE ARG A 76 3.346 -9.983 5.165 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -0.143 -10.201 4.679 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -0.074 -11.869 4.100 1.00 0.00 H new ATOM 0 HH21 ARG A 76 3.427 -12.124 4.422 1.00 0.00 H new ATOM 0 HH22 ARG A 76 1.939 -12.953 3.955 1.00 0.00 H new ATOM 1164 N ASN A 77 -2.412 -11.413 7.317 1.00 0.00 N ATOM 1165 CA ASN A 77 -3.154 -12.661 7.173 1.00 0.00 C ATOM 1166 C ASN A 77 -4.450 -12.438 6.401 1.00 0.00 C ATOM 1167 O ASN A 77 -4.771 -13.185 5.476 1.00 0.00 O ATOM 1168 CB ASN A 77 -3.462 -13.257 8.548 1.00 0.00 C ATOM 1169 CG ASN A 77 -3.737 -14.747 8.485 1.00 0.00 C ATOM 1170 OD1 ASN A 77 -3.683 -15.354 7.415 1.00 0.00 O ATOM 1171 ND2 ASN A 77 -4.034 -15.343 9.634 1.00 0.00 N ATOM 0 H ASN A 77 -2.251 -11.127 8.283 1.00 0.00 H new ATOM 0 HA ASN A 77 -2.534 -13.360 6.612 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -2.621 -13.074 9.217 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -4.326 -12.749 8.976 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -4.229 -16.344 9.654 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -4.067 -14.800 10.497 1.00 0.00 H new ATOM 1178 N ILE A 78 -5.192 -11.405 6.787 1.00 0.00 N ATOM 1179 CA ILE A 78 -6.452 -11.082 6.131 1.00 0.00 C ATOM 1180 C ILE A 78 -6.257 -10.886 4.631 1.00 0.00 C ATOM 1181 O ILE A 78 -7.085 -11.311 3.826 1.00 0.00 O ATOM 1182 CB ILE A 78 -7.087 -9.811 6.725 1.00 0.00 C ATOM 1183 CG1 ILE A 78 -7.427 -10.026 8.201 1.00 0.00 C ATOM 1184 CG2 ILE A 78 -8.332 -9.424 5.940 1.00 0.00 C ATOM 1185 CD1 ILE A 78 -7.594 -8.739 8.977 1.00 0.00 C ATOM 0 H ILE A 78 -4.942 -10.778 7.551 1.00 0.00 H new ATOM 0 HA ILE A 78 -7.121 -11.926 6.301 1.00 0.00 H new ATOM 0 HB ILE A 78 -6.367 -8.996 6.652 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -8.347 -10.606 8.273 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -6.639 -10.620 8.664 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -8.769 -8.524 6.372 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -8.063 -9.234 4.901 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -9.057 -10.237 5.984 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -7.834 -8.969 10.015 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -6.667 -8.167 8.937 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -8.402 -8.152 8.539 1.00 0.00 H new ATOM 1197 N TYR A 79 -5.155 -10.240 4.264 1.00 0.00 N ATOM 1198 CA TYR A 79 -4.850 -9.987 2.860 1.00 0.00 C ATOM 1199 C TYR A 79 -4.427 -11.271 2.154 1.00 0.00 C ATOM 1200 O TYR A 79 -5.040 -11.683 1.169 1.00 0.00 O ATOM 1201 CB TYR A 79 -3.745 -8.937 2.739 1.00 0.00 C ATOM 1202 CG TYR A 79 -3.524 -8.451 1.324 1.00 0.00 C ATOM 1203 CD1 TYR A 79 -4.550 -7.846 0.608 1.00 0.00 C ATOM 1204 CD2 TYR A 79 -2.290 -8.599 0.702 1.00 0.00 C ATOM 1205 CE1 TYR A 79 -4.353 -7.402 -0.685 1.00 0.00 C ATOM 1206 CE2 TYR A 79 -2.084 -8.156 -0.590 1.00 0.00 C ATOM 1207 CZ TYR A 79 -3.119 -7.558 -1.279 1.00 0.00 C ATOM 1208 OH TYR A 79 -2.918 -7.117 -2.567 1.00 0.00 O ATOM 0 H TYR A 79 -4.459 -9.882 4.918 1.00 0.00 H new ATOM 0 HA TYR A 79 -5.754 -9.612 2.380 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -3.994 -8.085 3.372 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -2.814 -9.356 3.120 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -5.518 -7.721 1.070 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -1.478 -9.068 1.238 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -5.162 -6.935 -1.228 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -1.118 -8.277 -1.058 1.00 0.00 H new ATOM 0 HH TYR A 79 -1.981 -6.852 -2.679 1.00 0.00 H new ATOM 1218 N ASP A 80 -3.375 -11.900 2.666 1.00 0.00 N ATOM 1219 CA ASP A 80 -2.868 -13.139 2.087 1.00 0.00 C ATOM 1220 C ASP A 80 -3.986 -14.167 1.941 1.00 0.00 C ATOM 1221 O ASP A 80 -4.093 -14.844 0.918 1.00 0.00 O ATOM 1222 CB ASP A 80 -1.744 -13.710 2.953 1.00 0.00 C ATOM 1223 CG ASP A 80 -1.326 -15.101 2.517 1.00 0.00 C ATOM 1224 OD1 ASP A 80 -0.758 -15.230 1.412 1.00 0.00 O ATOM 1225 OD2 ASP A 80 -1.569 -16.060 3.279 1.00 0.00 O ATOM 0 H ASP A 80 -2.856 -11.572 3.481 1.00 0.00 H new ATOM 0 HA ASP A 80 -2.473 -12.913 1.096 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -0.882 -13.044 2.909 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -2.070 -13.741 3.993 1.00 0.00 H new ATOM 1230 N LYS A 81 -4.817 -14.280 2.971 1.00 0.00 N ATOM 1231 CA LYS A 81 -5.928 -15.225 2.959 1.00 0.00 C ATOM 1232 C LYS A 81 -7.039 -14.747 2.030 1.00 0.00 C ATOM 1233 O LYS A 81 -7.407 -15.437 1.079 1.00 0.00 O ATOM 1234 CB LYS A 81 -6.479 -15.415 4.374 1.00 0.00 C ATOM 1235 CG LYS A 81 -5.584 -16.258 5.267 1.00 0.00 C ATOM 1236 CD LYS A 81 -6.201 -16.464 6.640 1.00 0.00 C ATOM 1237 CE LYS A 81 -7.233 -17.581 6.625 1.00 0.00 C ATOM 1238 NZ LYS A 81 -8.254 -17.407 7.695 1.00 0.00 N ATOM 0 H LYS A 81 -4.742 -13.728 3.826 1.00 0.00 H new ATOM 0 HA LYS A 81 -5.555 -16.180 2.590 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -6.620 -14.437 4.834 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -7.461 -15.883 4.313 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -5.408 -17.226 4.797 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -4.613 -15.773 5.372 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -5.418 -16.700 7.360 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -6.670 -15.538 6.972 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -7.726 -17.607 5.653 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -6.732 -18.540 6.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -8.939 -18.188 7.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -7.787 -17.408 8.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -8.750 -16.503 7.558 1.00 0.00 H new ATOM 1252 N TYR A 82 -7.569 -13.562 2.310 1.00 0.00 N ATOM 1253 CA TYR A 82 -8.639 -12.992 1.500 1.00 0.00 C ATOM 1254 C TYR A 82 -8.090 -11.955 0.525 1.00 0.00 C ATOM 1255 O TYR A 82 -8.114 -12.154 -0.689 1.00 0.00 O ATOM 1256 CB TYR A 82 -9.701 -12.353 2.396 1.00 0.00 C ATOM 1257 CG TYR A 82 -10.063 -13.194 3.600 1.00 0.00 C ATOM 1258 CD1 TYR A 82 -10.433 -14.526 3.455 1.00 0.00 C ATOM 1259 CD2 TYR A 82 -10.036 -12.657 4.881 1.00 0.00 C ATOM 1260 CE1 TYR A 82 -10.765 -15.298 4.552 1.00 0.00 C ATOM 1261 CE2 TYR A 82 -10.365 -13.422 5.983 1.00 0.00 C ATOM 1262 CZ TYR A 82 -10.729 -14.742 5.814 1.00 0.00 C ATOM 1263 OH TYR A 82 -11.059 -15.507 6.909 1.00 0.00 O ATOM 0 H TYR A 82 -7.275 -12.977 3.092 1.00 0.00 H new ATOM 0 HA TYR A 82 -9.095 -13.799 0.926 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -9.341 -11.382 2.736 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -10.600 -12.171 1.807 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -10.461 -14.965 2.469 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -9.753 -11.624 5.018 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -11.051 -16.331 4.422 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -10.337 -12.989 6.972 1.00 0.00 H new ATOM 0 HH TYR A 82 -10.981 -14.965 7.722 1.00 0.00 H new ATOM 1273 N GLY A 83 -7.595 -10.846 1.066 1.00 0.00 N ATOM 1274 CA GLY A 83 -7.047 -9.793 0.231 1.00 0.00 C ATOM 1275 C GLY A 83 -7.678 -8.444 0.510 1.00 0.00 C ATOM 1276 O GLY A 83 -7.717 -7.994 1.656 1.00 0.00 O ATOM 0 H GLY A 83 -7.564 -10.658 2.068 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -5.971 -9.728 0.393 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -7.196 -10.050 -0.818 1.00 0.00 H new ATOM 1280 N SER A 84 -8.173 -7.795 -0.539 1.00 0.00 N ATOM 1281 CA SER A 84 -8.800 -6.486 -0.402 1.00 0.00 C ATOM 1282 C SER A 84 -10.161 -6.604 0.277 1.00 0.00 C ATOM 1283 O SER A 84 -10.506 -5.804 1.147 1.00 0.00 O ATOM 1284 CB SER A 84 -8.958 -5.827 -1.774 1.00 0.00 C ATOM 1285 OG SER A 84 -9.393 -4.484 -1.647 1.00 0.00 O ATOM 0 H SER A 84 -8.152 -8.155 -1.493 1.00 0.00 H new ATOM 0 HA SER A 84 -8.155 -5.865 0.220 1.00 0.00 H new ATOM 0 HB2 SER A 84 -8.007 -5.856 -2.307 1.00 0.00 H new ATOM 0 HB3 SER A 84 -9.675 -6.390 -2.371 1.00 0.00 H new ATOM 0 HG SER A 84 -9.485 -4.084 -2.537 1.00 0.00 H new ATOM 1291 N LEU A 85 -10.932 -7.608 -0.127 1.00 0.00 N ATOM 1292 CA LEU A 85 -12.256 -7.833 0.442 1.00 0.00 C ATOM 1293 C LEU A 85 -12.171 -8.060 1.948 1.00 0.00 C ATOM 1294 O LEU A 85 -12.740 -7.303 2.733 1.00 0.00 O ATOM 1295 CB LEU A 85 -12.923 -9.035 -0.229 1.00 0.00 C ATOM 1296 CG LEU A 85 -14.427 -9.185 0.005 1.00 0.00 C ATOM 1297 CD1 LEU A 85 -14.733 -9.230 1.494 1.00 0.00 C ATOM 1298 CD2 LEU A 85 -15.187 -8.049 -0.664 1.00 0.00 C ATOM 0 H LEU A 85 -10.663 -8.279 -0.846 1.00 0.00 H new ATOM 0 HA LEU A 85 -12.858 -6.942 0.261 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -12.747 -8.970 -1.303 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -12.429 -9.941 0.121 1.00 0.00 H new ATOM 0 HG LEU A 85 -14.753 -10.125 -0.441 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -15.808 -9.337 1.642 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -14.219 -10.078 1.946 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -14.392 -8.307 1.963 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -16.255 -8.172 -0.487 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -14.858 -7.097 -0.248 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -14.993 -8.063 -1.736 1.00 0.00 H new ATOM 1310 N GLY A 86 -11.453 -9.107 2.344 1.00 0.00 N ATOM 1311 CA GLY A 86 -11.304 -9.413 3.755 1.00 0.00 C ATOM 1312 C GLY A 86 -10.999 -8.183 4.586 1.00 0.00 C ATOM 1313 O GLY A 86 -11.627 -7.952 5.620 1.00 0.00 O ATOM 0 H GLY A 86 -10.972 -9.748 1.713 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -12.220 -9.877 4.121 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -10.504 -10.142 3.883 1.00 0.00 H new ATOM 1317 N LEU A 87 -10.032 -7.391 4.135 1.00 0.00 N ATOM 1318 CA LEU A 87 -9.643 -6.178 4.846 1.00 0.00 C ATOM 1319 C LEU A 87 -10.826 -5.227 4.987 1.00 0.00 C ATOM 1320 O LEU A 87 -11.053 -4.655 6.054 1.00 0.00 O ATOM 1321 CB LEU A 87 -8.497 -5.479 4.112 1.00 0.00 C ATOM 1322 CG LEU A 87 -7.121 -6.133 4.239 1.00 0.00 C ATOM 1323 CD1 LEU A 87 -6.166 -5.574 3.195 1.00 0.00 C ATOM 1324 CD2 LEU A 87 -6.561 -5.930 5.639 1.00 0.00 C ATOM 0 H LEU A 87 -9.503 -7.567 3.281 1.00 0.00 H new ATOM 0 HA LEU A 87 -9.308 -6.462 5.844 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -8.753 -5.419 3.054 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -8.426 -4.456 4.481 1.00 0.00 H new ATOM 0 HG LEU A 87 -7.231 -7.203 4.065 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -5.192 -6.051 3.301 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -6.561 -5.771 2.198 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -6.061 -4.498 3.337 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -5.581 -6.402 5.711 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -6.466 -4.863 5.842 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -7.235 -6.379 6.369 1.00 0.00 H new ATOM 1336 N TYR A 88 -11.580 -5.063 3.906 1.00 0.00 N ATOM 1337 CA TYR A 88 -12.741 -4.181 3.909 1.00 0.00 C ATOM 1338 C TYR A 88 -13.731 -4.587 4.996 1.00 0.00 C ATOM 1339 O TYR A 88 -13.920 -3.872 5.980 1.00 0.00 O ATOM 1340 CB TYR A 88 -13.428 -4.203 2.543 1.00 0.00 C ATOM 1341 CG TYR A 88 -14.923 -3.986 2.614 1.00 0.00 C ATOM 1342 CD1 TYR A 88 -15.476 -3.121 3.550 1.00 0.00 C ATOM 1343 CD2 TYR A 88 -15.782 -4.646 1.743 1.00 0.00 C ATOM 1344 CE1 TYR A 88 -16.841 -2.921 3.618 1.00 0.00 C ATOM 1345 CE2 TYR A 88 -17.148 -4.451 1.804 1.00 0.00 C ATOM 1346 CZ TYR A 88 -17.673 -3.588 2.743 1.00 0.00 C ATOM 1347 OH TYR A 88 -19.033 -3.390 2.807 1.00 0.00 O ATOM 0 H TYR A 88 -11.408 -5.530 3.016 1.00 0.00 H new ATOM 0 HA TYR A 88 -12.396 -3.168 4.118 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -12.987 -3.432 1.911 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -13.231 -5.161 2.062 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -14.828 -2.596 4.236 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -15.375 -5.323 1.006 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -17.255 -2.246 4.352 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -17.802 -4.972 1.120 1.00 0.00 H new ATOM 0 HH TYR A 88 -19.475 -3.933 2.122 1.00 0.00 H new ATOM 1357 N VAL A 89 -14.361 -5.743 4.811 1.00 0.00 N ATOM 1358 CA VAL A 89 -15.331 -6.248 5.775 1.00 0.00 C ATOM 1359 C VAL A 89 -14.786 -6.169 7.196 1.00 0.00 C ATOM 1360 O VAL A 89 -15.501 -5.801 8.127 1.00 0.00 O ATOM 1361 CB VAL A 89 -15.722 -7.706 5.467 1.00 0.00 C ATOM 1362 CG1 VAL A 89 -16.766 -8.199 6.457 1.00 0.00 C ATOM 1363 CG2 VAL A 89 -16.229 -7.831 4.038 1.00 0.00 C ATOM 0 H VAL A 89 -14.217 -6.347 4.002 1.00 0.00 H new ATOM 0 HA VAL A 89 -16.216 -5.617 5.693 1.00 0.00 H new ATOM 0 HB VAL A 89 -14.835 -8.331 5.569 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -17.030 -9.231 6.224 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -16.362 -8.147 7.468 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -17.656 -7.573 6.390 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -16.501 -8.867 3.838 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -17.104 -7.194 3.905 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -15.446 -7.521 3.346 1.00 0.00 H new ATOM 1373 N ALA A 90 -13.513 -6.516 7.356 1.00 0.00 N ATOM 1374 CA ALA A 90 -12.870 -6.481 8.663 1.00 0.00 C ATOM 1375 C ALA A 90 -12.960 -5.091 9.283 1.00 0.00 C ATOM 1376 O ALA A 90 -12.985 -4.948 10.505 1.00 0.00 O ATOM 1377 CB ALA A 90 -11.416 -6.916 8.548 1.00 0.00 C ATOM 0 H ALA A 90 -12.907 -6.825 6.596 1.00 0.00 H new ATOM 0 HA ALA A 90 -13.396 -7.177 9.317 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -10.948 -6.885 9.532 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -11.370 -7.932 8.156 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -10.887 -6.243 7.873 1.00 0.00 H new ATOM 1383 N GLU A 91 -13.009 -4.071 8.433 1.00 0.00 N ATOM 1384 CA GLU A 91 -13.096 -2.692 8.899 1.00 0.00 C ATOM 1385 C GLU A 91 -14.538 -2.195 8.865 1.00 0.00 C ATOM 1386 O GLU A 91 -14.849 -1.125 9.387 1.00 0.00 O ATOM 1387 CB GLU A 91 -12.212 -1.784 8.042 1.00 0.00 C ATOM 1388 CG GLU A 91 -11.785 -0.507 8.747 1.00 0.00 C ATOM 1389 CD GLU A 91 -10.481 -0.667 9.504 1.00 0.00 C ATOM 1390 OE1 GLU A 91 -9.449 -0.940 8.856 1.00 0.00 O ATOM 1391 OE2 GLU A 91 -10.492 -0.520 10.744 1.00 0.00 O ATOM 0 H GLU A 91 -12.990 -4.173 7.418 1.00 0.00 H new ATOM 0 HA GLU A 91 -12.744 -2.662 9.930 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -11.323 -2.337 7.740 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -12.750 -1.523 7.130 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -11.679 0.291 8.012 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -12.568 -0.200 9.440 1.00 0.00 H new ATOM 1398 N GLN A 92 -15.413 -2.980 8.245 1.00 0.00 N ATOM 1399 CA GLN A 92 -16.822 -2.620 8.141 1.00 0.00 C ATOM 1400 C GLN A 92 -17.582 -3.023 9.400 1.00 0.00 C ATOM 1401 O GLN A 92 -18.422 -2.273 9.898 1.00 0.00 O ATOM 1402 CB GLN A 92 -17.452 -3.286 6.916 1.00 0.00 C ATOM 1403 CG GLN A 92 -18.226 -4.553 7.244 1.00 0.00 C ATOM 1404 CD GLN A 92 -18.957 -5.118 6.041 1.00 0.00 C ATOM 1405 OE1 GLN A 92 -18.343 -5.691 5.140 1.00 0.00 O ATOM 1406 NE2 GLN A 92 -20.275 -4.959 6.021 1.00 0.00 N ATOM 0 H GLN A 92 -15.171 -3.869 7.807 1.00 0.00 H new ATOM 0 HA GLN A 92 -16.886 -1.537 8.031 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -18.122 -2.576 6.431 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -16.667 -3.525 6.199 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -17.538 -5.304 7.632 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -18.945 -4.340 8.035 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -20.742 -4.478 6.789 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -20.820 -5.318 5.237 1.00 0.00 H new ATOM 1415 N PHE A 93 -17.281 -4.212 9.912 1.00 0.00 N ATOM 1416 CA PHE A 93 -17.937 -4.716 11.113 1.00 0.00 C ATOM 1417 C PHE A 93 -16.917 -5.304 12.083 1.00 0.00 C ATOM 1418 O PHE A 93 -17.092 -5.242 13.299 1.00 0.00 O ATOM 1419 CB PHE A 93 -18.978 -5.775 10.746 1.00 0.00 C ATOM 1420 CG PHE A 93 -18.434 -7.175 10.745 1.00 0.00 C ATOM 1421 CD1 PHE A 93 -17.507 -7.572 9.794 1.00 0.00 C ATOM 1422 CD2 PHE A 93 -18.849 -8.094 11.695 1.00 0.00 C ATOM 1423 CE1 PHE A 93 -17.006 -8.860 9.791 1.00 0.00 C ATOM 1424 CE2 PHE A 93 -18.351 -9.384 11.697 1.00 0.00 C ATOM 1425 CZ PHE A 93 -17.427 -9.766 10.744 1.00 0.00 C ATOM 0 H PHE A 93 -16.587 -4.845 9.514 1.00 0.00 H new ATOM 0 HA PHE A 93 -18.437 -3.880 11.601 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -19.808 -5.717 11.450 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -19.381 -5.550 9.759 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -17.173 -6.867 9.047 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -19.570 -7.799 12.443 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -16.286 -9.158 9.044 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -18.684 -10.091 12.442 1.00 0.00 H new ATOM 0 HZ PHE A 93 -17.034 -10.772 10.744 1.00 0.00 H new ATOM 1435 N GLY A 94 -15.849 -5.876 11.535 1.00 0.00 N ATOM 1436 CA GLY A 94 -14.816 -6.469 12.365 1.00 0.00 C ATOM 1437 C GLY A 94 -14.048 -7.559 11.645 1.00 0.00 C ATOM 1438 O GLY A 94 -14.595 -8.246 10.784 1.00 0.00 O ATOM 0 H GLY A 94 -15.681 -5.939 10.531 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -14.122 -5.692 12.687 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -15.271 -6.883 13.265 1.00 0.00 H new ATOM 1442 N GLU A 95 -12.776 -7.716 11.998 1.00 0.00 N ATOM 1443 CA GLU A 95 -11.931 -8.729 11.376 1.00 0.00 C ATOM 1444 C GLU A 95 -11.987 -10.038 12.158 1.00 0.00 C ATOM 1445 O GLU A 95 -12.214 -11.104 11.587 1.00 0.00 O ATOM 1446 CB GLU A 95 -10.485 -8.236 11.289 1.00 0.00 C ATOM 1447 CG GLU A 95 -9.859 -7.944 12.643 1.00 0.00 C ATOM 1448 CD GLU A 95 -9.256 -9.178 13.285 1.00 0.00 C ATOM 1449 OE1 GLU A 95 -8.860 -10.100 12.541 1.00 0.00 O ATOM 1450 OE2 GLU A 95 -9.180 -9.222 14.531 1.00 0.00 O ATOM 0 H GLU A 95 -12.308 -7.155 12.710 1.00 0.00 H new ATOM 0 HA GLU A 95 -12.306 -8.910 10.369 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -9.884 -8.986 10.775 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -10.454 -7.332 10.681 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -9.085 -7.185 12.525 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -10.616 -7.527 13.307 1.00 0.00 H new ATOM 1457 N GLU A 96 -11.778 -9.948 13.468 1.00 0.00 N ATOM 1458 CA GLU A 96 -11.804 -11.126 14.327 1.00 0.00 C ATOM 1459 C GLU A 96 -13.102 -11.906 14.143 1.00 0.00 C ATOM 1460 O GLU A 96 -13.209 -13.060 14.557 1.00 0.00 O ATOM 1461 CB GLU A 96 -11.646 -10.718 15.794 1.00 0.00 C ATOM 1462 CG GLU A 96 -12.824 -9.926 16.336 1.00 0.00 C ATOM 1463 CD GLU A 96 -12.662 -8.431 16.138 1.00 0.00 C ATOM 1464 OE1 GLU A 96 -11.799 -8.029 15.330 1.00 0.00 O ATOM 1465 OE2 GLU A 96 -13.399 -7.664 16.792 1.00 0.00 O ATOM 0 H GLU A 96 -11.589 -9.073 13.957 1.00 0.00 H new ATOM 0 HA GLU A 96 -10.971 -11.769 14.043 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -11.513 -11.615 16.399 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -10.739 -10.123 15.901 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -13.738 -10.257 15.843 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -12.941 -10.137 17.399 1.00 0.00 H new ATOM 1472 N ASN A 97 -14.086 -11.268 13.518 1.00 0.00 N ATOM 1473 CA ASN A 97 -15.378 -11.901 13.278 1.00 0.00 C ATOM 1474 C ASN A 97 -15.475 -12.413 11.845 1.00 0.00 C ATOM 1475 O ASN A 97 -16.257 -13.317 11.549 1.00 0.00 O ATOM 1476 CB ASN A 97 -16.513 -10.913 13.557 1.00 0.00 C ATOM 1477 CG ASN A 97 -16.452 -10.344 14.961 1.00 0.00 C ATOM 1478 OD1 ASN A 97 -16.226 -9.148 15.149 1.00 0.00 O ATOM 1479 ND2 ASN A 97 -16.654 -11.200 15.956 1.00 0.00 N ATOM 0 H ASN A 97 -14.013 -10.313 13.168 1.00 0.00 H new ATOM 0 HA ASN A 97 -15.470 -12.750 13.955 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -16.467 -10.098 12.835 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -17.470 -11.413 13.412 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -16.625 -10.875 16.922 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -16.838 -12.183 15.754 1.00 0.00 H new ATOM 1486 N VAL A 98 -14.675 -11.831 10.958 1.00 0.00 N ATOM 1487 CA VAL A 98 -14.669 -12.229 9.556 1.00 0.00 C ATOM 1488 C VAL A 98 -14.652 -13.747 9.415 1.00 0.00 C ATOM 1489 O VAL A 98 -15.278 -14.304 8.515 1.00 0.00 O ATOM 1490 CB VAL A 98 -13.455 -11.643 8.810 1.00 0.00 C ATOM 1491 CG1 VAL A 98 -13.179 -12.428 7.537 1.00 0.00 C ATOM 1492 CG2 VAL A 98 -13.680 -10.171 8.501 1.00 0.00 C ATOM 0 H VAL A 98 -14.022 -11.081 11.186 1.00 0.00 H new ATOM 0 HA VAL A 98 -15.584 -11.835 9.113 1.00 0.00 H new ATOM 0 HB VAL A 98 -12.580 -11.726 9.455 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -12.318 -11.999 7.024 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -12.970 -13.468 7.789 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -14.051 -12.381 6.884 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -12.813 -9.773 7.974 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -14.566 -10.062 7.876 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -13.823 -9.622 9.432 1.00 0.00 H new ATOM 1502 N ASN A 99 -13.932 -14.411 10.314 1.00 0.00 N ATOM 1503 CA ASN A 99 -13.834 -15.866 10.291 1.00 0.00 C ATOM 1504 C ASN A 99 -15.195 -16.499 10.017 1.00 0.00 C ATOM 1505 O ASN A 99 -15.373 -17.216 9.032 1.00 0.00 O ATOM 1506 CB ASN A 99 -13.277 -16.382 11.619 1.00 0.00 C ATOM 1507 CG ASN A 99 -12.641 -17.752 11.486 1.00 0.00 C ATOM 1508 OD1 ASN A 99 -11.431 -17.870 11.290 1.00 0.00 O ATOM 1509 ND2 ASN A 99 -13.455 -18.795 11.594 1.00 0.00 N ATOM 0 H ASN A 99 -13.408 -13.965 11.067 1.00 0.00 H new ATOM 0 HA ASN A 99 -13.154 -16.146 9.486 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -12.538 -15.677 11.998 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -14.081 -16.427 12.354 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -13.084 -19.742 11.515 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -14.451 -18.650 11.756 1.00 0.00 H new ATOM 1516 N THR A 100 -16.155 -16.228 10.896 1.00 0.00 N ATOM 1517 CA THR A 100 -17.500 -16.770 10.751 1.00 0.00 C ATOM 1518 C THR A 100 -18.252 -16.080 9.619 1.00 0.00 C ATOM 1519 O THR A 100 -19.119 -16.678 8.981 1.00 0.00 O ATOM 1520 CB THR A 100 -18.308 -16.624 12.054 1.00 0.00 C ATOM 1521 OG1 THR A 100 -19.555 -17.319 11.937 1.00 0.00 O ATOM 1522 CG2 THR A 100 -18.566 -15.158 12.369 1.00 0.00 C ATOM 0 H THR A 100 -16.025 -15.636 11.716 1.00 0.00 H new ATOM 0 HA THR A 100 -17.390 -17.829 10.517 1.00 0.00 H new ATOM 0 HB THR A 100 -17.726 -17.057 12.868 1.00 0.00 H new ATOM 0 HG1 THR A 100 -20.062 -17.223 12.770 1.00 0.00 H new ATOM 0 HG21 THR A 100 -19.138 -15.080 13.293 1.00 0.00 H new ATOM 0 HG22 THR A 100 -17.615 -14.638 12.486 1.00 0.00 H new ATOM 0 HG23 THR A 100 -19.130 -14.704 11.554 1.00 0.00 H new ATOM 1530 N TYR A 101 -17.914 -14.819 9.374 1.00 0.00 N ATOM 1531 CA TYR A 101 -18.559 -14.046 8.319 1.00 0.00 C ATOM 1532 C TYR A 101 -18.418 -14.743 6.969 1.00 0.00 C ATOM 1533 O TYR A 101 -19.387 -14.878 6.223 1.00 0.00 O ATOM 1534 CB TYR A 101 -17.958 -12.642 8.246 1.00 0.00 C ATOM 1535 CG TYR A 101 -18.932 -11.590 7.766 1.00 0.00 C ATOM 1536 CD1 TYR A 101 -19.260 -11.482 6.420 1.00 0.00 C ATOM 1537 CD2 TYR A 101 -19.525 -10.704 8.657 1.00 0.00 C ATOM 1538 CE1 TYR A 101 -20.149 -10.522 5.976 1.00 0.00 C ATOM 1539 CE2 TYR A 101 -20.416 -9.742 8.222 1.00 0.00 C ATOM 1540 CZ TYR A 101 -20.724 -9.655 6.881 1.00 0.00 C ATOM 1541 OH TYR A 101 -21.611 -8.698 6.443 1.00 0.00 O ATOM 0 H TYR A 101 -17.197 -14.310 9.891 1.00 0.00 H new ATOM 0 HA TYR A 101 -19.620 -13.968 8.558 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -17.591 -12.361 9.233 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -17.097 -12.659 7.578 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -18.812 -12.160 5.709 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -19.285 -10.768 9.708 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -20.392 -10.451 4.926 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -20.869 -9.062 8.928 1.00 0.00 H new ATOM 0 HH TYR A 101 -21.926 -8.170 7.206 1.00 0.00 H new ATOM 1551 N PHE A 102 -17.202 -15.184 6.663 1.00 0.00 N ATOM 1552 CA PHE A 102 -16.931 -15.867 5.403 1.00 0.00 C ATOM 1553 C PHE A 102 -17.608 -17.233 5.369 1.00 0.00 C ATOM 1554 O PHE A 102 -18.289 -17.578 4.403 1.00 0.00 O ATOM 1555 CB PHE A 102 -15.423 -16.027 5.200 1.00 0.00 C ATOM 1556 CG PHE A 102 -14.794 -14.883 4.457 1.00 0.00 C ATOM 1557 CD1 PHE A 102 -15.150 -13.575 4.742 1.00 0.00 C ATOM 1558 CD2 PHE A 102 -13.847 -15.116 3.472 1.00 0.00 C ATOM 1559 CE1 PHE A 102 -14.572 -12.520 4.061 1.00 0.00 C ATOM 1560 CE2 PHE A 102 -13.266 -14.065 2.788 1.00 0.00 C ATOM 1561 CZ PHE A 102 -13.630 -12.766 3.082 1.00 0.00 C ATOM 0 H PHE A 102 -16.389 -15.081 7.270 1.00 0.00 H new ATOM 0 HA PHE A 102 -17.337 -15.260 4.594 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -14.942 -16.126 6.173 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -15.234 -16.952 4.655 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -15.888 -13.377 5.505 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -13.560 -16.130 3.236 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -14.857 -11.505 4.294 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -12.528 -14.260 2.024 1.00 0.00 H new ATOM 0 HZ PHE A 102 -13.179 -11.944 2.547 1.00 0.00 H new ATOM 1571 N VAL A 103 -17.416 -18.009 6.432 1.00 0.00 N ATOM 1572 CA VAL A 103 -18.008 -19.338 6.525 1.00 0.00 C ATOM 1573 C VAL A 103 -19.475 -19.259 6.933 1.00 0.00 C ATOM 1574 O VAL A 103 -19.867 -19.773 7.980 1.00 0.00 O ATOM 1575 CB VAL A 103 -17.252 -20.220 7.536 1.00 0.00 C ATOM 1576 CG1 VAL A 103 -15.806 -20.408 7.105 1.00 0.00 C ATOM 1577 CG2 VAL A 103 -17.327 -19.615 8.930 1.00 0.00 C ATOM 0 H VAL A 103 -16.855 -17.740 7.240 1.00 0.00 H new ATOM 0 HA VAL A 103 -17.933 -19.788 5.535 1.00 0.00 H new ATOM 0 HB VAL A 103 -17.728 -21.200 7.563 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -15.288 -21.034 7.832 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -15.777 -20.888 6.127 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -15.314 -19.437 7.047 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -16.788 -20.251 9.632 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -16.877 -18.622 8.920 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -18.370 -19.538 9.238 1.00 0.00 H new ATOM 1587 N SER A 104 -20.282 -18.613 6.097 1.00 0.00 N ATOM 1588 CA SER A 104 -21.706 -18.464 6.372 1.00 0.00 C ATOM 1589 C SER A 104 -22.534 -19.349 5.446 1.00 0.00 C ATOM 1590 O SER A 104 -23.320 -20.179 5.900 1.00 0.00 O ATOM 1591 CB SER A 104 -22.128 -17.002 6.212 1.00 0.00 C ATOM 1592 OG SER A 104 -23.522 -16.848 6.415 1.00 0.00 O ATOM 0 H SER A 104 -19.974 -18.185 5.224 1.00 0.00 H new ATOM 0 HA SER A 104 -21.887 -18.776 7.401 1.00 0.00 H new ATOM 0 HB2 SER A 104 -21.583 -16.383 6.925 1.00 0.00 H new ATOM 0 HB3 SER A 104 -21.862 -16.650 5.215 1.00 0.00 H new ATOM 0 HG SER A 104 -23.766 -15.905 6.309 1.00 0.00 H new ATOM 1598 N GLY A 105 -22.351 -19.164 4.142 1.00 0.00 N ATOM 1599 CA GLY A 105 -23.087 -19.951 3.170 1.00 0.00 C ATOM 1600 C GLY A 105 -23.750 -19.093 2.111 1.00 0.00 C ATOM 1601 O GLY A 105 -24.608 -18.260 2.404 1.00 0.00 O ATOM 0 H GLY A 105 -21.706 -18.483 3.742 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -22.409 -20.656 2.690 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -23.847 -20.540 3.684 1.00 0.00 H new ATOM 1605 N PRO A 106 -23.349 -19.292 0.847 1.00 0.00 N ATOM 1606 CA PRO A 106 -23.897 -18.539 -0.285 1.00 0.00 C ATOM 1607 C PRO A 106 -25.345 -18.911 -0.583 1.00 0.00 C ATOM 1608 O PRO A 106 -26.009 -18.263 -1.392 1.00 0.00 O ATOM 1609 CB PRO A 106 -22.991 -18.942 -1.452 1.00 0.00 C ATOM 1610 CG PRO A 106 -22.461 -20.282 -1.073 1.00 0.00 C ATOM 1611 CD PRO A 106 -22.331 -20.269 0.425 1.00 0.00 C ATOM 0 HA PRO A 106 -23.913 -17.467 -0.090 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -23.547 -18.986 -2.388 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -22.184 -18.223 -1.594 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -23.135 -21.074 -1.399 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -21.497 -20.468 -1.547 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -22.517 -21.254 0.853 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -21.331 -19.969 0.739 1.00 0.00 H new ATOM 1619 N SER A 107 -25.830 -19.957 0.077 1.00 0.00 N ATOM 1620 CA SER A 107 -27.200 -20.417 -0.120 1.00 0.00 C ATOM 1621 C SER A 107 -27.630 -21.345 1.013 1.00 0.00 C ATOM 1622 O SER A 107 -26.799 -21.998 1.644 1.00 0.00 O ATOM 1623 CB SER A 107 -27.331 -21.139 -1.462 1.00 0.00 C ATOM 1624 OG SER A 107 -27.418 -20.214 -2.532 1.00 0.00 O ATOM 0 H SER A 107 -25.295 -20.502 0.753 1.00 0.00 H new ATOM 0 HA SER A 107 -27.853 -19.544 -0.120 1.00 0.00 H new ATOM 0 HB2 SER A 107 -26.472 -21.793 -1.612 1.00 0.00 H new ATOM 0 HB3 SER A 107 -28.217 -21.773 -1.452 1.00 0.00 H new ATOM 0 HG SER A 107 -27.189 -19.318 -2.209 1.00 0.00 H new ATOM 1630 N SER A 108 -28.934 -21.396 1.265 1.00 0.00 N ATOM 1631 CA SER A 108 -29.475 -22.240 2.324 1.00 0.00 C ATOM 1632 C SER A 108 -29.149 -23.708 2.069 1.00 0.00 C ATOM 1633 O SER A 108 -28.998 -24.132 0.924 1.00 0.00 O ATOM 1634 CB SER A 108 -30.990 -22.053 2.430 1.00 0.00 C ATOM 1635 OG SER A 108 -31.451 -22.356 3.735 1.00 0.00 O ATOM 0 H SER A 108 -29.635 -20.863 0.751 1.00 0.00 H new ATOM 0 HA SER A 108 -29.012 -21.942 3.265 1.00 0.00 H new ATOM 0 HB2 SER A 108 -31.251 -21.025 2.178 1.00 0.00 H new ATOM 0 HB3 SER A 108 -31.490 -22.696 1.706 1.00 0.00 H new ATOM 0 HG SER A 108 -32.422 -22.227 3.777 1.00 0.00 H new ATOM 1641 N GLY A 109 -29.041 -24.480 3.147 1.00 0.00 N ATOM 1642 CA GLY A 109 -28.733 -25.892 3.020 1.00 0.00 C ATOM 1643 C GLY A 109 -27.379 -26.135 2.383 1.00 0.00 C ATOM 1644 O GLY A 109 -26.825 -27.230 2.486 1.00 0.00 O ATOM 0 H GLY A 109 -29.161 -24.152 4.105 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -28.756 -26.356 4.006 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -29.505 -26.377 2.422 1.00 0.00 H new TER 1648 GLY A 109