USER MOD reduce.3.24.130724 H: found=0, std=0, add=548, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 449 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 31 HIS : no HD1:sc= -0.0528 X(o=0.35,f=0.4) USER MOD Set 1.2: A 34 SER OG : rot -81:sc= 0.4 USER MOD Set 2.1: A 28 TYR OH : rot 0:sc= -0.464 USER MOD Set 2.2: A 36 LYS NZ :NH3+ -148:sc= 0.0847 (180deg=0) USER MOD Single : A 19 GLN :FLIP amide:sc= -0.818 F(o=-1.5!,f=-0.82) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -2.59 K(o=-2.6,f=-6!) USER MOD Single : A 38 HIS : no HD1:sc= -0.365 X(o=-0.36,f=-0.0041) USER MOD Single : A 40 SER OG : rot -161:sc= -0.888 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 HIS : no HE2:sc= -0.669 K(o=-0.67,f=-4.7!) USER MOD Single : A 49 MET CE :methyl 140:sc= 0 (180deg=-0.585) USER MOD Single : A 50 ASN : amide:sc= 0.207 X(o=0.21,f=-0.014) USER MOD Single : A 51 MET CE :methyl -165:sc= -0.613 (180deg=-0.801) USER MOD Single : A 52 MET CE :methyl 159:sc= -10.1! (180deg=-11.6!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 58 HIS : no HD1:sc= -0.0493 X(o=-0.049,f=-0.055) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 ASN :FLIP amide:sc= -2.72 F(o=-3.7!,f=-2.7) USER MOD Single : A 66 CYS SG : rot 84:sc= 0.665 USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 15 9.449 -4.154 -5.827 1.00 0.00 N ATOM 2 CA LEU A 15 8.651 -5.145 -6.528 1.00 0.00 C ATOM 3 C LEU A 15 7.431 -5.506 -5.679 1.00 0.00 C ATOM 4 O LEU A 15 6.299 -5.197 -6.050 1.00 0.00 O ATOM 5 CB LEU A 15 9.512 -6.351 -6.910 1.00 0.00 C ATOM 6 CG LEU A 15 9.547 -6.704 -8.399 1.00 0.00 C ATOM 7 CD1 LEU A 15 8.161 -7.120 -8.897 1.00 0.00 C ATOM 8 CD2 LEU A 15 10.131 -5.554 -9.222 1.00 0.00 C ATOM 0 HA LEU A 15 8.276 -4.738 -7.467 1.00 0.00 H new ATOM 0 HB2 LEU A 15 10.533 -6.164 -6.577 1.00 0.00 H new ATOM 0 HB3 LEU A 15 9.151 -7.220 -6.359 1.00 0.00 H new ATOM 0 HG LEU A 15 10.207 -7.561 -8.531 1.00 0.00 H new ATOM 0 HD11 LEU A 15 8.214 -7.365 -9.958 1.00 0.00 H new ATOM 0 HD12 LEU A 15 7.821 -7.992 -8.339 1.00 0.00 H new ATOM 0 HD13 LEU A 15 7.460 -6.299 -8.749 1.00 0.00 H new ATOM 0 HD21 LEU A 15 10.144 -5.831 -10.276 1.00 0.00 H new ATOM 0 HD22 LEU A 15 9.517 -4.663 -9.089 1.00 0.00 H new ATOM 0 HD23 LEU A 15 11.148 -5.347 -8.888 1.00 0.00 H new ATOM 19 N ARG A 16 7.701 -6.154 -4.556 1.00 0.00 N ATOM 20 CA ARG A 16 6.639 -6.560 -3.652 1.00 0.00 C ATOM 21 C ARG A 16 5.829 -5.342 -3.203 1.00 0.00 C ATOM 22 O ARG A 16 4.605 -5.334 -3.304 1.00 0.00 O ATOM 23 CB ARG A 16 7.205 -7.270 -2.420 1.00 0.00 C ATOM 24 CG ARG A 16 6.916 -8.771 -2.470 1.00 0.00 C ATOM 25 CD ARG A 16 7.645 -9.431 -3.643 1.00 0.00 C ATOM 26 NE ARG A 16 7.402 -10.890 -3.633 1.00 0.00 N ATOM 27 CZ ARG A 16 8.015 -11.753 -2.795 1.00 0.00 C ATOM 28 NH1 ARG A 16 8.913 -11.310 -1.889 1.00 0.00 N ATOM 29 NH2 ARG A 16 7.722 -13.038 -2.873 1.00 0.00 N ATOM 0 H ARG A 16 8.641 -6.408 -4.251 1.00 0.00 H new ATOM 0 HA ARG A 16 5.992 -7.252 -4.191 1.00 0.00 H new ATOM 0 HB2 ARG A 16 8.281 -7.105 -2.363 1.00 0.00 H new ATOM 0 HB3 ARG A 16 6.769 -6.842 -1.517 1.00 0.00 H new ATOM 0 HG2 ARG A 16 7.228 -9.236 -1.535 1.00 0.00 H new ATOM 0 HG3 ARG A 16 5.843 -8.935 -2.565 1.00 0.00 H new ATOM 0 HD2 ARG A 16 7.299 -9.003 -4.584 1.00 0.00 H new ATOM 0 HD3 ARG A 16 8.715 -9.232 -3.576 1.00 0.00 H new ATOM 0 HE ARG A 16 6.730 -11.268 -4.301 1.00 0.00 H new ATOM 0 HH11 ARG A 16 9.133 -10.316 -1.833 1.00 0.00 H new ATOM 0 HH12 ARG A 16 9.371 -11.970 -1.260 1.00 0.00 H new ATOM 0 HH21 ARG A 16 7.042 -13.365 -3.559 1.00 0.00 H new ATOM 0 HH22 ARG A 16 8.176 -13.703 -2.247 1.00 0.00 H new ATOM 39 N GLU A 17 6.548 -4.340 -2.716 1.00 0.00 N ATOM 40 CA GLU A 17 5.913 -3.119 -2.252 1.00 0.00 C ATOM 41 C GLU A 17 5.356 -2.327 -3.437 1.00 0.00 C ATOM 42 O GLU A 17 4.511 -1.452 -3.260 1.00 0.00 O ATOM 43 CB GLU A 17 6.887 -2.270 -1.433 1.00 0.00 C ATOM 44 CG GLU A 17 7.041 -2.824 -0.015 1.00 0.00 C ATOM 45 CD GLU A 17 8.256 -3.747 0.086 1.00 0.00 C ATOM 46 OE1 GLU A 17 9.078 -3.794 -0.842 1.00 0.00 O ATOM 47 OE2 GLU A 17 8.332 -4.431 1.178 1.00 0.00 O ATOM 0 H GLU A 17 7.565 -4.350 -2.633 1.00 0.00 H new ATOM 0 HA GLU A 17 5.083 -3.390 -1.599 1.00 0.00 H new ATOM 0 HB2 GLU A 17 7.859 -2.248 -1.926 1.00 0.00 H new ATOM 0 HB3 GLU A 17 6.529 -1.241 -1.388 1.00 0.00 H new ATOM 0 HG2 GLU A 17 7.146 -2.000 0.691 1.00 0.00 H new ATOM 0 HG3 GLU A 17 6.141 -3.371 0.265 1.00 0.00 H new ATOM 53 N ARG A 18 5.855 -2.661 -4.618 1.00 0.00 N ATOM 54 CA ARG A 18 5.418 -1.991 -5.830 1.00 0.00 C ATOM 55 C ARG A 18 4.073 -2.555 -6.294 1.00 0.00 C ATOM 56 O ARG A 18 3.188 -1.805 -6.701 1.00 0.00 O ATOM 57 CB ARG A 18 6.446 -2.158 -6.952 1.00 0.00 C ATOM 58 CG ARG A 18 7.160 -0.836 -7.243 1.00 0.00 C ATOM 59 CD ARG A 18 6.751 -0.280 -8.607 1.00 0.00 C ATOM 60 NE ARG A 18 6.839 1.197 -8.600 1.00 0.00 N ATOM 61 CZ ARG A 18 6.577 1.976 -9.670 1.00 0.00 C ATOM 62 NH1 ARG A 18 6.206 1.425 -10.846 1.00 0.00 N ATOM 63 NH2 ARG A 18 6.688 3.285 -9.551 1.00 0.00 N ATOM 0 H ARG A 18 6.557 -3.387 -4.761 1.00 0.00 H new ATOM 0 HA ARG A 18 5.312 -0.930 -5.602 1.00 0.00 H new ATOM 0 HB2 ARG A 18 7.177 -2.916 -6.670 1.00 0.00 H new ATOM 0 HB3 ARG A 18 5.950 -2.514 -7.855 1.00 0.00 H new ATOM 0 HG2 ARG A 18 6.922 -0.111 -6.465 1.00 0.00 H new ATOM 0 HG3 ARG A 18 8.239 -0.988 -7.217 1.00 0.00 H new ATOM 0 HD2 ARG A 18 7.398 -0.687 -9.384 1.00 0.00 H new ATOM 0 HD3 ARG A 18 5.734 -0.591 -8.845 1.00 0.00 H new ATOM 0 HE ARG A 18 7.115 1.655 -7.732 1.00 0.00 H new ATOM 0 HH11 ARG A 18 6.122 0.412 -10.931 1.00 0.00 H new ATOM 0 HH12 ARG A 18 6.010 2.022 -11.650 1.00 0.00 H new ATOM 0 HH21 ARG A 18 6.968 3.694 -8.660 1.00 0.00 H new ATOM 0 HH22 ARG A 18 6.494 3.888 -10.350 1.00 0.00 H new ATOM 73 N GLN A 19 3.961 -3.873 -6.215 1.00 0.00 N ATOM 74 CA GLN A 19 2.740 -4.546 -6.621 1.00 0.00 C ATOM 75 C GLN A 19 1.610 -4.236 -5.636 1.00 0.00 C ATOM 76 O GLN A 19 0.446 -4.158 -6.025 1.00 0.00 O ATOM 77 CB GLN A 19 2.959 -6.056 -6.745 1.00 0.00 C ATOM 78 CG GLN A 19 3.528 -6.635 -5.449 1.00 0.00 C ATOM 79 CD GLN A 19 3.350 -8.154 -5.402 1.00 0.00 C ATOM 80 OE1 GLN A 19 3.231 -8.647 -4.172 1.00 0.00 O flip ATOM 81 NE2 GLN A 19 3.320 -8.833 -6.415 1.00 0.00 N flip ATOM 0 H GLN A 19 4.697 -4.493 -5.876 1.00 0.00 H new ATOM 0 HA GLN A 19 2.453 -4.172 -7.604 1.00 0.00 H new ATOM 0 HB2 GLN A 19 2.015 -6.546 -6.983 1.00 0.00 H new ATOM 0 HB3 GLN A 19 3.641 -6.262 -7.570 1.00 0.00 H new ATOM 0 HG2 GLN A 19 4.586 -6.387 -5.370 1.00 0.00 H new ATOM 0 HG3 GLN A 19 3.029 -6.180 -4.593 1.00 0.00 H new ATOM 0 HE21 GLN A 19 3.417 -8.390 -7.329 1.00 0.00 H new ATOM 0 HE22 GLN A 19 3.197 -9.843 -6.348 1.00 0.00 H new ATOM 88 N VAL A 20 1.995 -4.067 -4.379 1.00 0.00 N ATOM 89 CA VAL A 20 1.030 -3.767 -3.336 1.00 0.00 C ATOM 90 C VAL A 20 0.584 -2.309 -3.463 1.00 0.00 C ATOM 91 O VAL A 20 -0.604 -2.030 -3.626 1.00 0.00 O ATOM 92 CB VAL A 20 1.623 -4.093 -1.965 1.00 0.00 C ATOM 93 CG1 VAL A 20 0.627 -3.779 -0.846 1.00 0.00 C ATOM 94 CG2 VAL A 20 2.082 -5.551 -1.897 1.00 0.00 C ATOM 0 H VAL A 20 2.962 -4.132 -4.060 1.00 0.00 H new ATOM 0 HA VAL A 20 0.142 -4.389 -3.447 1.00 0.00 H new ATOM 0 HB VAL A 20 2.498 -3.460 -1.821 1.00 0.00 H new ATOM 0 HG11 VAL A 20 1.075 -4.020 0.118 1.00 0.00 H new ATOM 0 HG12 VAL A 20 0.372 -2.720 -0.873 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -0.276 -4.373 -0.985 1.00 0.00 H new ATOM 0 HG21 VAL A 20 2.500 -5.755 -0.911 1.00 0.00 H new ATOM 0 HG22 VAL A 20 1.231 -6.209 -2.074 1.00 0.00 H new ATOM 0 HG23 VAL A 20 2.843 -5.729 -2.657 1.00 0.00 H new ATOM 104 N LEU A 21 1.559 -1.416 -3.383 1.00 0.00 N ATOM 105 CA LEU A 21 1.282 0.006 -3.488 1.00 0.00 C ATOM 106 C LEU A 21 0.435 0.266 -4.736 1.00 0.00 C ATOM 107 O LEU A 21 -0.300 1.250 -4.796 1.00 0.00 O ATOM 108 CB LEU A 21 2.584 0.810 -3.450 1.00 0.00 C ATOM 109 CG LEU A 21 2.432 2.333 -3.440 1.00 0.00 C ATOM 110 CD1 LEU A 21 1.442 2.779 -2.363 1.00 0.00 C ATOM 111 CD2 LEU A 21 3.792 3.018 -3.290 1.00 0.00 C ATOM 0 H LEU A 21 2.542 -1.650 -3.247 1.00 0.00 H new ATOM 0 HA LEU A 21 0.700 0.345 -2.631 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.144 0.515 -2.563 1.00 0.00 H new ATOM 0 HB3 LEU A 21 3.186 0.530 -4.315 1.00 0.00 H new ATOM 0 HG LEU A 21 2.020 2.642 -4.401 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.353 3.865 -2.378 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.467 2.332 -2.558 1.00 0.00 H new ATOM 0 HD13 LEU A 21 1.799 2.458 -1.385 1.00 0.00 H new ATOM 0 HD21 LEU A 21 3.656 4.099 -3.286 1.00 0.00 H new ATOM 0 HD22 LEU A 21 4.255 2.707 -2.354 1.00 0.00 H new ATOM 0 HD23 LEU A 21 4.435 2.736 -4.124 1.00 0.00 H new ATOM 122 N LYS A 22 0.567 -0.634 -5.700 1.00 0.00 N ATOM 123 CA LYS A 22 -0.177 -0.513 -6.942 1.00 0.00 C ATOM 124 C LYS A 22 -1.660 -0.777 -6.671 1.00 0.00 C ATOM 125 O LYS A 22 -2.518 0.013 -7.063 1.00 0.00 O ATOM 126 CB LYS A 22 0.423 -1.423 -8.015 1.00 0.00 C ATOM 127 CG LYS A 22 1.098 -0.600 -9.115 1.00 0.00 C ATOM 128 CD LYS A 22 0.220 -0.533 -10.366 1.00 0.00 C ATOM 129 CE LYS A 22 0.214 0.880 -10.955 1.00 0.00 C ATOM 130 NZ LYS A 22 -0.110 0.838 -12.398 1.00 0.00 N ATOM 0 H LYS A 22 1.178 -1.449 -5.646 1.00 0.00 H new ATOM 0 HA LYS A 22 -0.100 0.501 -7.336 1.00 0.00 H new ATOM 0 HB2 LYS A 22 1.150 -2.096 -7.561 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -0.360 -2.045 -8.449 1.00 0.00 H new ATOM 0 HG2 LYS A 22 1.296 0.408 -8.751 1.00 0.00 H new ATOM 0 HG3 LYS A 22 2.062 -1.043 -9.366 1.00 0.00 H new ATOM 0 HD2 LYS A 22 0.586 -1.240 -11.110 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -0.798 -0.832 -10.117 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -0.516 1.496 -10.430 1.00 0.00 H new ATOM 0 HE3 LYS A 22 1.189 1.346 -10.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -0.110 1.804 -12.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 0.602 0.267 -12.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -1.050 0.413 -12.531 1.00 0.00 H new ATOM 139 N LEU A 23 -1.917 -1.891 -6.001 1.00 0.00 N ATOM 140 CA LEU A 23 -3.281 -2.269 -5.673 1.00 0.00 C ATOM 141 C LEU A 23 -3.763 -1.439 -4.480 1.00 0.00 C ATOM 142 O LEU A 23 -4.966 -1.295 -4.266 1.00 0.00 O ATOM 143 CB LEU A 23 -3.379 -3.780 -5.450 1.00 0.00 C ATOM 144 CG LEU A 23 -2.493 -4.354 -4.342 1.00 0.00 C ATOM 145 CD1 LEU A 23 -3.085 -4.062 -2.960 1.00 0.00 C ATOM 146 CD2 LEU A 23 -2.247 -5.847 -4.555 1.00 0.00 C ATOM 0 H LEU A 23 -1.204 -2.544 -5.676 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.948 -2.049 -6.506 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.416 -4.027 -5.223 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.129 -4.282 -6.385 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.523 -3.858 -4.389 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.436 -4.480 -2.190 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.166 -2.984 -2.819 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.074 -4.513 -2.885 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.615 -6.230 -3.754 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.199 -6.377 -4.550 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.751 -6.001 -5.513 1.00 0.00 H new ATOM 157 N ILE A 24 -2.800 -0.916 -3.737 1.00 0.00 N ATOM 158 CA ILE A 24 -3.111 -0.103 -2.573 1.00 0.00 C ATOM 159 C ILE A 24 -3.630 1.260 -3.032 1.00 0.00 C ATOM 160 O ILE A 24 -4.615 1.767 -2.494 1.00 0.00 O ATOM 161 CB ILE A 24 -1.901 -0.020 -1.639 1.00 0.00 C ATOM 162 CG1 ILE A 24 -2.282 -0.414 -0.211 1.00 0.00 C ATOM 163 CG2 ILE A 24 -1.258 1.368 -1.700 1.00 0.00 C ATOM 164 CD1 ILE A 24 -1.039 -0.743 0.616 1.00 0.00 C ATOM 0 H ILE A 24 -1.804 -1.039 -3.918 1.00 0.00 H new ATOM 0 HA ILE A 24 -3.905 -0.565 -1.987 1.00 0.00 H new ATOM 0 HB ILE A 24 -1.154 -0.737 -1.981 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -2.832 0.401 0.260 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -2.947 -1.277 -0.233 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -0.401 1.402 -1.028 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -0.929 1.572 -2.719 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -1.986 2.120 -1.397 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -1.338 -1.020 1.627 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -0.505 -1.574 0.155 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -0.387 0.130 0.656 1.00 0.00 H new ATOM 175 N ASP A 25 -2.944 1.817 -4.019 1.00 0.00 N ATOM 176 CA ASP A 25 -3.325 3.112 -4.556 1.00 0.00 C ATOM 177 C ASP A 25 -4.762 3.042 -5.077 1.00 0.00 C ATOM 178 O ASP A 25 -5.574 3.918 -4.783 1.00 0.00 O ATOM 179 CB ASP A 25 -2.418 3.512 -5.723 1.00 0.00 C ATOM 180 CG ASP A 25 -2.965 4.629 -6.613 1.00 0.00 C ATOM 181 OD1 ASP A 25 -3.622 5.565 -6.134 1.00 0.00 O ATOM 182 OD2 ASP A 25 -2.689 4.512 -7.868 1.00 0.00 O ATOM 0 H ASP A 25 -2.127 1.395 -4.461 1.00 0.00 H new ATOM 0 HA ASP A 25 -3.233 3.848 -3.758 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -1.454 3.826 -5.323 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -2.236 2.632 -6.340 1.00 0.00 H new ATOM 187 N GLU A 26 -5.031 1.994 -5.839 1.00 0.00 N ATOM 188 CA GLU A 26 -6.356 1.799 -6.402 1.00 0.00 C ATOM 189 C GLU A 26 -7.390 1.639 -5.286 1.00 0.00 C ATOM 190 O GLU A 26 -8.376 2.371 -5.238 1.00 0.00 O ATOM 191 CB GLU A 26 -6.378 0.595 -7.346 1.00 0.00 C ATOM 192 CG GLU A 26 -6.636 1.035 -8.789 1.00 0.00 C ATOM 193 CD GLU A 26 -5.726 0.283 -9.763 1.00 0.00 C ATOM 194 OE1 GLU A 26 -4.770 0.867 -10.295 1.00 0.00 O ATOM 195 OE2 GLU A 26 -6.039 -0.953 -9.958 1.00 0.00 O ATOM 0 H GLU A 26 -4.354 1.270 -6.080 1.00 0.00 H new ATOM 0 HA GLU A 26 -6.615 2.683 -6.986 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -5.427 0.065 -7.288 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -7.152 -0.105 -7.031 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -7.679 0.854 -9.047 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -6.466 2.108 -8.882 1.00 0.00 H new ATOM 201 N GLY A 27 -7.127 0.676 -4.413 1.00 0.00 N ATOM 202 CA GLY A 27 -8.023 0.410 -3.300 1.00 0.00 C ATOM 203 C GLY A 27 -7.973 -1.065 -2.898 1.00 0.00 C ATOM 204 O GLY A 27 -8.550 -1.917 -3.575 1.00 0.00 O ATOM 0 H GLY A 27 -6.307 0.071 -4.454 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -7.747 1.032 -2.449 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -9.042 0.681 -3.576 1.00 0.00 H new ATOM 208 N TYR A 28 -7.282 -1.323 -1.798 1.00 0.00 N ATOM 209 CA TYR A 28 -7.151 -2.681 -1.298 1.00 0.00 C ATOM 210 C TYR A 28 -6.688 -2.686 0.161 1.00 0.00 C ATOM 211 O TYR A 28 -5.565 -3.092 0.458 1.00 0.00 O ATOM 212 CB TYR A 28 -6.080 -3.348 -2.163 1.00 0.00 C ATOM 213 CG TYR A 28 -6.642 -4.172 -3.323 1.00 0.00 C ATOM 214 CD1 TYR A 28 -6.914 -3.565 -4.531 1.00 0.00 C ATOM 215 CD2 TYR A 28 -6.878 -5.522 -3.159 1.00 0.00 C ATOM 216 CE1 TYR A 28 -7.443 -4.342 -5.623 1.00 0.00 C ATOM 217 CE2 TYR A 28 -7.407 -6.298 -4.251 1.00 0.00 C ATOM 218 CZ TYR A 28 -7.664 -5.670 -5.430 1.00 0.00 C ATOM 219 OH TYR A 28 -8.162 -6.402 -6.461 1.00 0.00 O ATOM 0 H TYR A 28 -6.807 -0.615 -1.239 1.00 0.00 H new ATOM 0 HA TYR A 28 -8.108 -3.201 -1.344 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -5.420 -2.579 -2.564 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -5.470 -3.995 -1.533 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -6.731 -2.508 -4.658 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -6.666 -5.996 -2.212 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -7.659 -3.880 -6.575 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -7.595 -7.355 -4.136 1.00 0.00 H new ATOM 0 HH TYR A 28 -8.295 -5.822 -7.240 1.00 0.00 H new ATOM 228 N THR A 29 -7.575 -2.229 1.033 1.00 0.00 N ATOM 229 CA THR A 29 -7.271 -2.175 2.453 1.00 0.00 C ATOM 230 C THR A 29 -6.139 -3.148 2.792 1.00 0.00 C ATOM 231 O THR A 29 -4.965 -2.788 2.724 1.00 0.00 O ATOM 232 CB THR A 29 -8.563 -2.454 3.223 1.00 0.00 C ATOM 233 OG1 THR A 29 -9.392 -1.333 2.927 1.00 0.00 O ATOM 234 CG2 THR A 29 -8.367 -2.382 4.740 1.00 0.00 C ATOM 0 H THR A 29 -8.505 -1.893 0.783 1.00 0.00 H new ATOM 0 HA THR A 29 -6.909 -1.189 2.744 1.00 0.00 H new ATOM 0 HB THR A 29 -8.942 -3.439 2.952 1.00 0.00 H new ATOM 0 HG1 THR A 29 -10.253 -1.432 3.385 1.00 0.00 H new ATOM 0 HG21 THR A 29 -9.314 -2.588 5.239 1.00 0.00 H new ATOM 0 HG22 THR A 29 -7.627 -3.121 5.047 1.00 0.00 H new ATOM 0 HG23 THR A 29 -8.021 -1.386 5.015 1.00 0.00 H new ATOM 242 N ASN A 30 -6.532 -4.361 3.150 1.00 0.00 N ATOM 243 CA ASN A 30 -5.566 -5.388 3.501 1.00 0.00 C ATOM 244 C ASN A 30 -6.107 -6.756 3.081 1.00 0.00 C ATOM 245 O ASN A 30 -5.443 -7.494 2.357 1.00 0.00 O ATOM 246 CB ASN A 30 -5.320 -5.420 5.011 1.00 0.00 C ATOM 247 CG ASN A 30 -4.105 -4.570 5.386 1.00 0.00 C ATOM 248 OD1 ASN A 30 -4.201 -3.384 5.654 1.00 0.00 O ATOM 249 ND2 ASN A 30 -2.955 -5.240 5.390 1.00 0.00 N ATOM 0 H ASN A 30 -7.507 -4.656 3.205 1.00 0.00 H new ATOM 0 HA ASN A 30 -4.631 -5.161 2.988 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -6.202 -5.051 5.535 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -5.163 -6.449 5.336 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -2.086 -4.761 5.627 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -2.942 -6.233 5.156 1.00 0.00 H new ATOM 255 N HIS A 31 -7.307 -7.053 3.556 1.00 0.00 N ATOM 256 CA HIS A 31 -7.945 -8.320 3.238 1.00 0.00 C ATOM 257 C HIS A 31 -7.880 -8.564 1.729 1.00 0.00 C ATOM 258 O HIS A 31 -7.843 -9.709 1.285 1.00 0.00 O ATOM 259 CB HIS A 31 -9.375 -8.360 3.784 1.00 0.00 C ATOM 260 CG HIS A 31 -9.993 -9.738 3.786 1.00 0.00 C ATOM 261 ND1 HIS A 31 -11.344 -9.952 3.992 1.00 0.00 N ATOM 262 CD2 HIS A 31 -9.430 -10.967 3.606 1.00 0.00 C ATOM 263 CE1 HIS A 31 -11.574 -11.257 3.936 1.00 0.00 C ATOM 264 NE2 HIS A 31 -10.386 -11.883 3.698 1.00 0.00 N ATOM 0 H HIS A 31 -7.855 -6.439 4.159 1.00 0.00 H new ATOM 0 HA HIS A 31 -7.408 -9.134 3.726 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -9.375 -7.971 4.802 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -9.999 -7.694 3.188 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -8.384 -11.162 3.420 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -12.533 -11.739 4.057 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -10.254 -12.890 3.606 1.00 0.00 H new ATOM 271 N GLY A 32 -7.866 -7.468 0.986 1.00 0.00 N ATOM 272 CA GLY A 32 -7.805 -7.549 -0.463 1.00 0.00 C ATOM 273 C GLY A 32 -6.416 -7.987 -0.931 1.00 0.00 C ATOM 274 O GLY A 32 -6.290 -8.896 -1.749 1.00 0.00 O ATOM 0 H GLY A 32 -7.896 -6.519 1.360 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -8.553 -8.255 -0.823 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -8.049 -6.579 -0.895 1.00 0.00 H new ATOM 278 N ILE A 33 -5.407 -7.320 -0.389 1.00 0.00 N ATOM 279 CA ILE A 33 -4.032 -7.628 -0.739 1.00 0.00 C ATOM 280 C ILE A 33 -3.783 -9.125 -0.547 1.00 0.00 C ATOM 281 O ILE A 33 -2.905 -9.700 -1.187 1.00 0.00 O ATOM 282 CB ILE A 33 -3.066 -6.739 0.046 1.00 0.00 C ATOM 283 CG1 ILE A 33 -3.540 -5.284 0.049 1.00 0.00 C ATOM 284 CG2 ILE A 33 -1.637 -6.876 -0.486 1.00 0.00 C ATOM 285 CD1 ILE A 33 -2.393 -4.335 0.406 1.00 0.00 C ATOM 0 H ILE A 33 -5.515 -6.567 0.290 1.00 0.00 H new ATOM 0 HA ILE A 33 -3.849 -7.407 -1.791 1.00 0.00 H new ATOM 0 HB ILE A 33 -3.056 -7.077 1.082 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -3.939 -5.026 -0.932 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -4.353 -5.164 0.765 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -0.971 -6.233 0.090 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -1.312 -7.912 -0.393 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -1.609 -6.580 -1.535 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -2.756 -3.307 0.401 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -2.013 -4.581 1.397 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.592 -4.440 -0.326 1.00 0.00 H new ATOM 296 N SER A 34 -4.574 -9.714 0.339 1.00 0.00 N ATOM 297 CA SER A 34 -4.451 -11.133 0.625 1.00 0.00 C ATOM 298 C SER A 34 -5.105 -11.949 -0.492 1.00 0.00 C ATOM 299 O SER A 34 -4.580 -12.987 -0.895 1.00 0.00 O ATOM 300 CB SER A 34 -5.084 -11.480 1.975 1.00 0.00 C ATOM 301 OG SER A 34 -6.305 -12.196 1.823 1.00 0.00 O ATOM 0 H SER A 34 -5.302 -9.234 0.868 1.00 0.00 H new ATOM 0 HA SER A 34 -3.391 -11.381 0.677 1.00 0.00 H new ATOM 0 HB2 SER A 34 -4.385 -12.076 2.561 1.00 0.00 H new ATOM 0 HB3 SER A 34 -5.269 -10.563 2.535 1.00 0.00 H new ATOM 0 HG SER A 34 -7.031 -11.567 1.626 1.00 0.00 H new ATOM 306 N GLU A 35 -6.239 -11.451 -0.962 1.00 0.00 N ATOM 307 CA GLU A 35 -6.968 -12.122 -2.024 1.00 0.00 C ATOM 308 C GLU A 35 -6.415 -11.710 -3.390 1.00 0.00 C ATOM 309 O GLU A 35 -6.680 -12.368 -4.393 1.00 0.00 O ATOM 310 CB GLU A 35 -8.467 -11.829 -1.929 1.00 0.00 C ATOM 311 CG GLU A 35 -9.261 -12.713 -2.894 1.00 0.00 C ATOM 312 CD GLU A 35 -10.765 -12.471 -2.748 1.00 0.00 C ATOM 313 OE1 GLU A 35 -11.354 -11.731 -3.549 1.00 0.00 O ATOM 314 OE2 GLU A 35 -11.323 -13.085 -1.761 1.00 0.00 O ATOM 0 H GLU A 35 -6.671 -10.590 -0.626 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.833 -13.197 -1.908 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -8.810 -11.999 -0.909 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -8.651 -10.779 -2.157 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -8.954 -12.506 -3.919 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -9.037 -13.762 -2.700 1.00 0.00 H new ATOM 320 N LYS A 36 -5.658 -10.623 -3.381 1.00 0.00 N ATOM 321 CA LYS A 36 -5.066 -10.116 -4.607 1.00 0.00 C ATOM 322 C LYS A 36 -3.681 -10.740 -4.795 1.00 0.00 C ATOM 323 O LYS A 36 -3.424 -11.395 -5.804 1.00 0.00 O ATOM 324 CB LYS A 36 -5.054 -8.586 -4.604 1.00 0.00 C ATOM 325 CG LYS A 36 -5.331 -8.032 -6.003 1.00 0.00 C ATOM 326 CD LYS A 36 -4.254 -7.027 -6.419 1.00 0.00 C ATOM 327 CE LYS A 36 -4.291 -6.779 -7.928 1.00 0.00 C ATOM 328 NZ LYS A 36 -5.435 -5.910 -8.282 1.00 0.00 N ATOM 0 H LYS A 36 -5.441 -10.080 -2.545 1.00 0.00 H new ATOM 0 HA LYS A 36 -5.668 -10.406 -5.468 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -5.805 -8.214 -3.907 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -4.087 -8.227 -4.252 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -5.366 -8.851 -6.722 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -6.309 -7.550 -6.020 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -4.404 -6.087 -5.888 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -3.271 -7.402 -6.132 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -3.359 -6.313 -8.249 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -4.371 -7.729 -8.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -5.785 -6.164 -9.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -6.197 -6.038 -7.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -5.129 -4.916 -8.282 1.00 0.00 H new ATOM 337 N LEU A 37 -2.826 -10.517 -3.809 1.00 0.00 N ATOM 338 CA LEU A 37 -1.475 -11.050 -3.854 1.00 0.00 C ATOM 339 C LEU A 37 -1.487 -12.499 -3.363 1.00 0.00 C ATOM 340 O LEU A 37 -0.945 -13.386 -4.022 1.00 0.00 O ATOM 341 CB LEU A 37 -0.516 -10.145 -3.079 1.00 0.00 C ATOM 342 CG LEU A 37 -0.686 -8.641 -3.300 1.00 0.00 C ATOM 343 CD1 LEU A 37 0.380 -7.850 -2.539 1.00 0.00 C ATOM 344 CD2 LEU A 37 -0.693 -8.304 -4.793 1.00 0.00 C ATOM 0 H LEU A 37 -3.042 -9.974 -2.973 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.104 -11.064 -4.879 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.633 -10.351 -2.015 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.505 -10.418 -3.346 1.00 0.00 H new ATOM 0 HG LEU A 37 -1.655 -8.344 -2.898 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.236 -6.784 -2.714 1.00 0.00 H new ATOM 0 HD12 LEU A 37 0.295 -8.058 -1.472 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.370 -8.144 -2.888 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -0.815 -7.229 -4.923 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.249 -8.619 -5.241 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -1.518 -8.824 -5.280 1.00 0.00 H new ATOM 355 N HIS A 38 -2.112 -12.695 -2.211 1.00 0.00 N ATOM 356 CA HIS A 38 -2.201 -14.020 -1.623 1.00 0.00 C ATOM 357 C HIS A 38 -2.332 -13.902 -0.103 1.00 0.00 C ATOM 358 O HIS A 38 -1.710 -13.036 0.511 1.00 0.00 O ATOM 359 CB HIS A 38 -1.011 -14.885 -2.050 1.00 0.00 C ATOM 360 CG HIS A 38 -0.678 -15.993 -1.078 1.00 0.00 C ATOM 361 ND1 HIS A 38 0.535 -16.068 -0.416 1.00 0.00 N ATOM 362 CD2 HIS A 38 -1.411 -17.065 -0.665 1.00 0.00 C ATOM 363 CE1 HIS A 38 0.521 -17.144 0.358 1.00 0.00 C ATOM 364 NE2 HIS A 38 -0.685 -17.761 0.202 1.00 0.00 N ATOM 0 H HIS A 38 -2.562 -11.957 -1.669 1.00 0.00 H new ATOM 0 HA HIS A 38 -3.095 -14.524 -1.991 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -1.224 -15.323 -3.025 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -0.136 -14.247 -2.172 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -2.413 -17.307 -0.988 1.00 0.00 H new ATOM 0 HE1 HIS A 38 1.324 -17.474 1.000 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -0.981 -18.616 0.673 1.00 0.00 H new ATOM 371 N ILE A 39 -3.146 -14.782 0.459 1.00 0.00 N ATOM 372 CA ILE A 39 -3.367 -14.787 1.894 1.00 0.00 C ATOM 373 C ILE A 39 -2.043 -14.513 2.611 1.00 0.00 C ATOM 374 O ILE A 39 -1.218 -15.414 2.764 1.00 0.00 O ATOM 375 CB ILE A 39 -4.043 -16.089 2.329 1.00 0.00 C ATOM 376 CG1 ILE A 39 -5.328 -16.330 1.533 1.00 0.00 C ATOM 377 CG2 ILE A 39 -4.292 -16.100 3.837 1.00 0.00 C ATOM 378 CD1 ILE A 39 -5.161 -17.503 0.564 1.00 0.00 C ATOM 0 H ILE A 39 -3.661 -15.497 -0.054 1.00 0.00 H new ATOM 0 HA ILE A 39 -4.054 -13.989 2.175 1.00 0.00 H new ATOM 0 HB ILE A 39 -3.368 -16.916 2.109 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -6.151 -16.534 2.218 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -5.590 -15.429 0.978 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.773 -17.036 4.119 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -3.342 -16.007 4.363 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -4.939 -15.264 4.105 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -6.088 -17.653 0.011 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -4.353 -17.286 -0.135 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -4.923 -18.407 1.125 1.00 0.00 H new ATOM 389 N SER A 40 -1.881 -13.267 3.030 1.00 0.00 N ATOM 390 CA SER A 40 -0.672 -12.864 3.728 1.00 0.00 C ATOM 391 C SER A 40 -0.827 -11.439 4.263 1.00 0.00 C ATOM 392 O SER A 40 0.077 -10.616 4.117 1.00 0.00 O ATOM 393 CB SER A 40 0.550 -12.956 2.810 1.00 0.00 C ATOM 394 OG SER A 40 1.584 -13.757 3.374 1.00 0.00 O ATOM 0 H SER A 40 -2.567 -12.523 2.900 1.00 0.00 H new ATOM 0 HA SER A 40 -0.517 -13.545 4.565 1.00 0.00 H new ATOM 0 HB2 SER A 40 0.251 -13.375 1.849 1.00 0.00 H new ATOM 0 HB3 SER A 40 0.933 -11.954 2.615 1.00 0.00 H new ATOM 0 HG SER A 40 2.433 -13.556 2.929 1.00 0.00 H new ATOM 399 N ILE A 41 -1.977 -11.192 4.872 1.00 0.00 N ATOM 400 CA ILE A 41 -2.261 -9.881 5.431 1.00 0.00 C ATOM 401 C ILE A 41 -1.090 -9.441 6.310 1.00 0.00 C ATOM 402 O ILE A 41 -0.775 -8.254 6.383 1.00 0.00 O ATOM 403 CB ILE A 41 -3.608 -9.890 6.157 1.00 0.00 C ATOM 404 CG1 ILE A 41 -4.761 -10.097 5.174 1.00 0.00 C ATOM 405 CG2 ILE A 41 -3.787 -8.620 6.993 1.00 0.00 C ATOM 406 CD1 ILE A 41 -6.068 -9.536 5.735 1.00 0.00 C ATOM 0 H ILE A 41 -2.723 -11.877 4.991 1.00 0.00 H new ATOM 0 HA ILE A 41 -2.358 -9.140 4.637 1.00 0.00 H new ATOM 0 HB ILE A 41 -3.619 -10.735 6.846 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -4.528 -9.609 4.227 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -4.878 -11.160 4.964 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -4.752 -8.651 7.499 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -2.990 -8.557 7.734 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -3.746 -7.747 6.342 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -6.871 -9.697 5.016 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -6.310 -10.043 6.669 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -5.955 -8.468 5.921 1.00 0.00 H new ATOM 417 N LYS A 42 -0.477 -10.421 6.957 1.00 0.00 N ATOM 418 CA LYS A 42 0.654 -10.149 7.830 1.00 0.00 C ATOM 419 C LYS A 42 1.843 -9.685 6.987 1.00 0.00 C ATOM 420 O LYS A 42 2.555 -8.757 7.370 1.00 0.00 O ATOM 421 CB LYS A 42 0.959 -11.367 8.705 1.00 0.00 C ATOM 422 CG LYS A 42 0.938 -12.655 7.880 1.00 0.00 C ATOM 423 CD LYS A 42 -0.264 -13.526 8.256 1.00 0.00 C ATOM 424 CE LYS A 42 0.184 -14.783 9.005 1.00 0.00 C ATOM 425 NZ LYS A 42 -0.442 -14.837 10.346 1.00 0.00 N ATOM 0 H LYS A 42 -0.741 -11.404 6.895 1.00 0.00 H new ATOM 0 HA LYS A 42 0.417 -9.340 8.520 1.00 0.00 H new ATOM 0 HB2 LYS A 42 1.936 -11.247 9.173 1.00 0.00 H new ATOM 0 HB3 LYS A 42 0.226 -11.434 9.509 1.00 0.00 H new ATOM 0 HG2 LYS A 42 0.897 -12.411 6.818 1.00 0.00 H new ATOM 0 HG3 LYS A 42 1.861 -13.212 8.044 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -0.952 -12.954 8.878 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -0.808 -13.809 7.355 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -0.088 -15.671 8.434 1.00 0.00 H new ATOM 0 HE3 LYS A 42 1.270 -14.788 9.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -0.128 -15.696 10.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -0.161 -13.999 10.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -1.477 -14.854 10.246 1.00 0.00 H new ATOM 434 N THR A 43 2.020 -10.349 5.855 1.00 0.00 N ATOM 435 CA THR A 43 3.112 -10.015 4.954 1.00 0.00 C ATOM 436 C THR A 43 3.019 -8.551 4.525 1.00 0.00 C ATOM 437 O THR A 43 4.035 -7.866 4.414 1.00 0.00 O ATOM 438 CB THR A 43 3.073 -10.997 3.781 1.00 0.00 C ATOM 439 OG1 THR A 43 4.438 -11.361 3.588 1.00 0.00 O ATOM 440 CG2 THR A 43 2.677 -10.322 2.466 1.00 0.00 C ATOM 0 H THR A 43 1.427 -11.117 5.540 1.00 0.00 H new ATOM 0 HA THR A 43 4.079 -10.115 5.448 1.00 0.00 H new ATOM 0 HB THR A 43 2.370 -11.800 4.002 1.00 0.00 H new ATOM 0 HG1 THR A 43 4.505 -11.998 2.846 1.00 0.00 H new ATOM 0 HG21 THR A 43 2.665 -11.063 1.666 1.00 0.00 H new ATOM 0 HG22 THR A 43 1.685 -9.881 2.568 1.00 0.00 H new ATOM 0 HG23 THR A 43 3.399 -9.541 2.226 1.00 0.00 H new ATOM 448 N VAL A 44 1.790 -8.112 4.294 1.00 0.00 N ATOM 449 CA VAL A 44 1.551 -6.740 3.878 1.00 0.00 C ATOM 450 C VAL A 44 2.122 -5.786 4.930 1.00 0.00 C ATOM 451 O VAL A 44 2.861 -4.860 4.597 1.00 0.00 O ATOM 452 CB VAL A 44 0.058 -6.523 3.621 1.00 0.00 C ATOM 453 CG1 VAL A 44 -0.328 -5.057 3.832 1.00 0.00 C ATOM 454 CG2 VAL A 44 -0.332 -6.997 2.220 1.00 0.00 C ATOM 0 H VAL A 44 0.949 -8.682 4.387 1.00 0.00 H new ATOM 0 HA VAL A 44 2.062 -6.531 2.938 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.496 -7.122 4.343 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.394 -4.931 3.643 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -0.105 -4.766 4.858 1.00 0.00 H new ATOM 0 HG13 VAL A 44 0.239 -4.429 3.145 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -1.398 -6.831 2.063 1.00 0.00 H new ATOM 0 HG22 VAL A 44 0.235 -6.438 1.476 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -0.112 -8.060 2.121 1.00 0.00 H new ATOM 464 N GLU A 45 1.757 -6.044 6.177 1.00 0.00 N ATOM 465 CA GLU A 45 2.223 -5.221 7.279 1.00 0.00 C ATOM 466 C GLU A 45 3.727 -4.971 7.156 1.00 0.00 C ATOM 467 O GLU A 45 4.200 -3.867 7.421 1.00 0.00 O ATOM 468 CB GLU A 45 1.882 -5.862 8.625 1.00 0.00 C ATOM 469 CG GLU A 45 1.325 -4.825 9.602 1.00 0.00 C ATOM 470 CD GLU A 45 2.365 -4.455 10.661 1.00 0.00 C ATOM 471 OE1 GLU A 45 2.949 -5.346 11.295 1.00 0.00 O ATOM 472 OE2 GLU A 45 2.561 -3.189 10.814 1.00 0.00 O ATOM 0 H GLU A 45 1.143 -6.812 6.448 1.00 0.00 H new ATOM 0 HA GLU A 45 1.710 -4.261 7.231 1.00 0.00 H new ATOM 0 HB2 GLU A 45 1.151 -6.657 8.478 1.00 0.00 H new ATOM 0 HB3 GLU A 45 2.774 -6.323 9.048 1.00 0.00 H new ATOM 0 HG2 GLU A 45 1.023 -3.931 9.056 1.00 0.00 H new ATOM 0 HG3 GLU A 45 0.432 -5.220 10.087 1.00 0.00 H new ATOM 478 N THR A 46 4.437 -6.015 6.752 1.00 0.00 N ATOM 479 CA THR A 46 5.878 -5.922 6.591 1.00 0.00 C ATOM 480 C THR A 46 6.223 -5.122 5.332 1.00 0.00 C ATOM 481 O THR A 46 7.203 -4.381 5.313 1.00 0.00 O ATOM 482 CB THR A 46 6.446 -7.344 6.583 1.00 0.00 C ATOM 483 OG1 THR A 46 6.377 -7.752 7.945 1.00 0.00 O ATOM 484 CG2 THR A 46 7.940 -7.375 6.259 1.00 0.00 C ATOM 0 H THR A 46 4.041 -6.929 6.532 1.00 0.00 H new ATOM 0 HA THR A 46 6.335 -5.379 7.419 1.00 0.00 H new ATOM 0 HB THR A 46 5.905 -7.948 5.855 1.00 0.00 H new ATOM 0 HG1 THR A 46 6.724 -8.664 8.031 1.00 0.00 H new ATOM 0 HG21 THR A 46 8.293 -8.406 6.266 1.00 0.00 H new ATOM 0 HG22 THR A 46 8.108 -6.941 5.273 1.00 0.00 H new ATOM 0 HG23 THR A 46 8.486 -6.800 7.006 1.00 0.00 H new ATOM 492 N HIS A 47 5.398 -5.303 4.311 1.00 0.00 N ATOM 493 CA HIS A 47 5.603 -4.606 3.052 1.00 0.00 C ATOM 494 C HIS A 47 5.248 -3.128 3.218 1.00 0.00 C ATOM 495 O HIS A 47 5.853 -2.266 2.584 1.00 0.00 O ATOM 496 CB HIS A 47 4.820 -5.281 1.925 1.00 0.00 C ATOM 497 CG HIS A 47 5.469 -6.537 1.392 1.00 0.00 C ATOM 498 ND1 HIS A 47 6.840 -6.716 1.362 1.00 0.00 N ATOM 499 CD2 HIS A 47 4.921 -7.670 0.868 1.00 0.00 C ATOM 500 CE1 HIS A 47 7.096 -7.907 0.841 1.00 0.00 C ATOM 501 NE2 HIS A 47 5.905 -8.497 0.535 1.00 0.00 N ATOM 0 H HIS A 47 4.587 -5.921 4.330 1.00 0.00 H new ATOM 0 HA HIS A 47 6.654 -4.660 2.770 1.00 0.00 H new ATOM 0 HB2 HIS A 47 3.821 -5.526 2.286 1.00 0.00 H new ATOM 0 HB3 HIS A 47 4.698 -4.572 1.106 1.00 0.00 H new ATOM 0 HD1 HIS A 47 7.536 -6.045 1.686 1.00 0.00 H new ATOM 0 HD2 HIS A 47 3.865 -7.862 0.745 1.00 0.00 H new ATOM 0 HE1 HIS A 47 8.075 -8.335 0.686 1.00 0.00 H new ATOM 508 N ARG A 48 4.268 -2.880 4.075 1.00 0.00 N ATOM 509 CA ARG A 48 3.824 -1.521 4.333 1.00 0.00 C ATOM 510 C ARG A 48 4.984 -0.676 4.865 1.00 0.00 C ATOM 511 O ARG A 48 5.326 0.353 4.282 1.00 0.00 O ATOM 512 CB ARG A 48 2.679 -1.498 5.347 1.00 0.00 C ATOM 513 CG ARG A 48 1.400 -2.081 4.743 1.00 0.00 C ATOM 514 CD ARG A 48 0.251 -2.044 5.752 1.00 0.00 C ATOM 515 NE ARG A 48 -1.027 -1.782 5.053 1.00 0.00 N ATOM 516 CZ ARG A 48 -2.113 -1.234 5.640 1.00 0.00 C ATOM 517 NH1 ARG A 48 -2.085 -0.887 6.944 1.00 0.00 N ATOM 518 NH2 ARG A 48 -3.203 -1.044 4.920 1.00 0.00 N ATOM 0 H ARG A 48 3.769 -3.598 4.600 1.00 0.00 H new ATOM 0 HA ARG A 48 3.468 -1.104 3.391 1.00 0.00 H new ATOM 0 HB2 ARG A 48 2.961 -2.069 6.232 1.00 0.00 H new ATOM 0 HB3 ARG A 48 2.498 -0.474 5.673 1.00 0.00 H new ATOM 0 HG2 ARG A 48 1.124 -1.517 3.852 1.00 0.00 H new ATOM 0 HG3 ARG A 48 1.578 -3.109 4.427 1.00 0.00 H new ATOM 0 HD2 ARG A 48 0.195 -2.992 6.287 1.00 0.00 H new ATOM 0 HD3 ARG A 48 0.434 -1.269 6.496 1.00 0.00 H new ATOM 0 HE ARG A 48 -1.092 -2.031 4.066 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -1.239 -1.038 7.494 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -2.910 -0.474 7.380 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -3.217 -1.310 3.935 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -4.032 -0.631 5.348 1.00 0.00 H new ATOM 528 N MET A 49 5.558 -1.142 5.964 1.00 0.00 N ATOM 529 CA MET A 49 6.671 -0.443 6.580 1.00 0.00 C ATOM 530 C MET A 49 7.790 -0.189 5.567 1.00 0.00 C ATOM 531 O MET A 49 8.432 0.859 5.596 1.00 0.00 O ATOM 532 CB MET A 49 7.217 -1.274 7.744 1.00 0.00 C ATOM 533 CG MET A 49 7.521 -2.706 7.298 1.00 0.00 C ATOM 534 SD MET A 49 8.412 -3.569 8.582 1.00 0.00 S ATOM 535 CE MET A 49 7.097 -3.812 9.763 1.00 0.00 C ATOM 0 H MET A 49 5.273 -1.996 6.444 1.00 0.00 H new ATOM 0 HA MET A 49 6.311 0.519 6.945 1.00 0.00 H new ATOM 0 HB2 MET A 49 8.123 -0.810 8.133 1.00 0.00 H new ATOM 0 HB3 MET A 49 6.491 -1.289 8.557 1.00 0.00 H new ATOM 0 HG2 MET A 49 6.592 -3.230 7.073 1.00 0.00 H new ATOM 0 HG3 MET A 49 8.110 -2.693 6.381 1.00 0.00 H new ATOM 0 HE1 MET A 49 7.181 -4.806 10.202 1.00 0.00 H new ATOM 0 HE2 MET A 49 7.171 -3.061 10.549 1.00 0.00 H new ATOM 0 HE3 MET A 49 6.134 -3.718 9.260 1.00 0.00 H new ATOM 543 N ASN A 50 7.985 -1.167 4.694 1.00 0.00 N ATOM 544 CA ASN A 50 9.013 -1.062 3.673 1.00 0.00 C ATOM 545 C ASN A 50 8.625 0.029 2.674 1.00 0.00 C ATOM 546 O ASN A 50 9.486 0.738 2.156 1.00 0.00 O ATOM 547 CB ASN A 50 9.163 -2.376 2.905 1.00 0.00 C ATOM 548 CG ASN A 50 10.318 -3.209 3.463 1.00 0.00 C ATOM 549 OD1 ASN A 50 11.480 -2.847 3.374 1.00 0.00 O ATOM 550 ND2 ASN A 50 9.936 -4.344 4.044 1.00 0.00 N ATOM 0 H ASN A 50 7.449 -2.035 4.673 1.00 0.00 H new ATOM 0 HA ASN A 50 9.955 -0.824 4.167 1.00 0.00 H new ATOM 0 HB2 ASN A 50 8.236 -2.946 2.968 1.00 0.00 H new ATOM 0 HB3 ASN A 50 9.338 -2.167 1.850 1.00 0.00 H new ATOM 0 HD21 ASN A 50 10.633 -4.970 4.448 1.00 0.00 H new ATOM 0 HD22 ASN A 50 8.946 -4.588 4.085 1.00 0.00 H new ATOM 556 N MET A 51 7.325 0.127 2.430 1.00 0.00 N ATOM 557 CA MET A 51 6.812 1.120 1.500 1.00 0.00 C ATOM 558 C MET A 51 6.959 2.532 2.070 1.00 0.00 C ATOM 559 O MET A 51 6.957 3.510 1.323 1.00 0.00 O ATOM 560 CB MET A 51 5.335 0.836 1.216 1.00 0.00 C ATOM 561 CG MET A 51 5.091 0.662 -0.285 1.00 0.00 C ATOM 562 SD MET A 51 4.114 -0.802 -0.578 1.00 0.00 S ATOM 563 CE MET A 51 2.603 -0.339 0.248 1.00 0.00 C ATOM 0 H MET A 51 6.613 -0.464 2.859 1.00 0.00 H new ATOM 0 HA MET A 51 7.388 1.059 0.577 1.00 0.00 H new ATOM 0 HB2 MET A 51 5.025 -0.065 1.746 1.00 0.00 H new ATOM 0 HB3 MET A 51 4.724 1.655 1.595 1.00 0.00 H new ATOM 0 HG2 MET A 51 4.578 1.538 -0.682 1.00 0.00 H new ATOM 0 HG3 MET A 51 6.043 0.585 -0.810 1.00 0.00 H new ATOM 0 HE1 MET A 51 1.983 -1.223 0.396 1.00 0.00 H new ATOM 0 HE2 MET A 51 2.838 0.105 1.215 1.00 0.00 H new ATOM 0 HE3 MET A 51 2.062 0.385 -0.361 1.00 0.00 H new ATOM 571 N MET A 52 7.084 2.595 3.388 1.00 0.00 N ATOM 572 CA MET A 52 7.233 3.872 4.065 1.00 0.00 C ATOM 573 C MET A 52 8.707 4.262 4.184 1.00 0.00 C ATOM 574 O MET A 52 9.029 5.428 4.404 1.00 0.00 O ATOM 575 CB MET A 52 6.613 3.784 5.461 1.00 0.00 C ATOM 576 CG MET A 52 5.141 3.372 5.383 1.00 0.00 C ATOM 577 SD MET A 52 4.175 4.691 4.667 1.00 0.00 S ATOM 578 CE MET A 52 3.593 3.879 3.187 1.00 0.00 C ATOM 0 H MET A 52 7.085 1.782 4.005 1.00 0.00 H new ATOM 0 HA MET A 52 6.722 4.635 3.478 1.00 0.00 H new ATOM 0 HB2 MET A 52 7.165 3.062 6.063 1.00 0.00 H new ATOM 0 HB3 MET A 52 6.698 4.748 5.962 1.00 0.00 H new ATOM 0 HG2 MET A 52 5.039 2.468 4.782 1.00 0.00 H new ATOM 0 HG3 MET A 52 4.768 3.136 6.380 1.00 0.00 H new ATOM 0 HE1 MET A 52 2.705 4.391 2.816 1.00 0.00 H new ATOM 0 HE2 MET A 52 4.373 3.908 2.426 1.00 0.00 H new ATOM 0 HE3 MET A 52 3.346 2.842 3.414 1.00 0.00 H new ATOM 586 N ARG A 53 9.564 3.262 4.032 1.00 0.00 N ATOM 587 CA ARG A 53 10.997 3.486 4.121 1.00 0.00 C ATOM 588 C ARG A 53 11.571 3.802 2.737 1.00 0.00 C ATOM 589 O ARG A 53 12.531 4.562 2.618 1.00 0.00 O ATOM 590 CB ARG A 53 11.711 2.262 4.694 1.00 0.00 C ATOM 591 CG ARG A 53 12.494 2.625 5.957 1.00 0.00 C ATOM 592 CD ARG A 53 11.911 1.921 7.185 1.00 0.00 C ATOM 593 NE ARG A 53 12.815 2.093 8.344 1.00 0.00 N ATOM 594 CZ ARG A 53 13.999 1.457 8.481 1.00 0.00 C ATOM 595 NH1 ARG A 53 14.432 0.602 7.530 1.00 0.00 N ATOM 596 NH2 ARG A 53 14.727 1.687 9.559 1.00 0.00 N ATOM 0 H ARG A 53 9.293 2.296 3.848 1.00 0.00 H new ATOM 0 HA ARG A 53 11.160 4.332 4.788 1.00 0.00 H new ATOM 0 HB2 ARG A 53 10.981 1.486 4.925 1.00 0.00 H new ATOM 0 HB3 ARG A 53 12.389 1.850 3.947 1.00 0.00 H new ATOM 0 HG2 ARG A 53 13.540 2.343 5.834 1.00 0.00 H new ATOM 0 HG3 ARG A 53 12.470 3.704 6.107 1.00 0.00 H new ATOM 0 HD2 ARG A 53 10.928 2.330 7.416 1.00 0.00 H new ATOM 0 HD3 ARG A 53 11.773 0.860 6.975 1.00 0.00 H new ATOM 0 HE ARG A 53 12.526 2.731 9.085 1.00 0.00 H new ATOM 0 HH11 ARG A 53 13.864 0.432 6.700 1.00 0.00 H new ATOM 0 HH12 ARG A 53 15.327 0.126 7.641 1.00 0.00 H new ATOM 0 HH21 ARG A 53 14.393 2.336 10.271 1.00 0.00 H new ATOM 0 HH22 ARG A 53 15.624 1.216 9.679 1.00 0.00 H new ATOM 606 N LYS A 54 10.957 3.203 1.728 1.00 0.00 N ATOM 607 CA LYS A 54 11.395 3.410 0.357 1.00 0.00 C ATOM 608 C LYS A 54 10.797 4.714 -0.173 1.00 0.00 C ATOM 609 O LYS A 54 11.524 5.597 -0.626 1.00 0.00 O ATOM 610 CB LYS A 54 11.065 2.188 -0.502 1.00 0.00 C ATOM 611 CG LYS A 54 12.041 1.042 -0.224 1.00 0.00 C ATOM 612 CD LYS A 54 13.407 1.322 -0.853 1.00 0.00 C ATOM 613 CE LYS A 54 13.500 0.713 -2.254 1.00 0.00 C ATOM 614 NZ LYS A 54 14.879 0.250 -2.527 1.00 0.00 N ATOM 0 H LYS A 54 10.160 2.575 1.831 1.00 0.00 H new ATOM 0 HA LYS A 54 12.479 3.516 0.315 1.00 0.00 H new ATOM 0 HB2 LYS A 54 10.046 1.860 -0.298 1.00 0.00 H new ATOM 0 HB3 LYS A 54 11.107 2.459 -1.557 1.00 0.00 H new ATOM 0 HG2 LYS A 54 12.153 0.907 0.852 1.00 0.00 H new ATOM 0 HG3 LYS A 54 11.637 0.111 -0.622 1.00 0.00 H new ATOM 0 HD2 LYS A 54 13.572 2.398 -0.908 1.00 0.00 H new ATOM 0 HD3 LYS A 54 14.194 0.911 -0.221 1.00 0.00 H new ATOM 0 HE2 LYS A 54 12.806 -0.123 -2.341 1.00 0.00 H new ATOM 0 HE3 LYS A 54 13.204 1.452 -2.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 14.925 -0.160 -3.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 15.534 1.055 -2.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 15.148 -0.471 -1.827 1.00 0.00 H new ATOM 623 N LEU A 55 9.476 4.796 -0.099 1.00 0.00 N ATOM 624 CA LEU A 55 8.771 5.977 -0.566 1.00 0.00 C ATOM 625 C LEU A 55 8.913 7.093 0.471 1.00 0.00 C ATOM 626 O LEU A 55 8.467 8.217 0.245 1.00 0.00 O ATOM 627 CB LEU A 55 7.319 5.636 -0.907 1.00 0.00 C ATOM 628 CG LEU A 55 7.115 4.501 -1.913 1.00 0.00 C ATOM 629 CD1 LEU A 55 6.572 3.247 -1.224 1.00 0.00 C ATOM 630 CD2 LEU A 55 6.224 4.949 -3.071 1.00 0.00 C ATOM 0 H LEU A 55 8.876 4.063 0.278 1.00 0.00 H new ATOM 0 HA LEU A 55 9.214 6.343 -1.493 1.00 0.00 H new ATOM 0 HB2 LEU A 55 6.802 5.374 0.016 1.00 0.00 H new ATOM 0 HB3 LEU A 55 6.838 6.533 -1.298 1.00 0.00 H new ATOM 0 HG LEU A 55 8.086 4.241 -2.335 1.00 0.00 H new ATOM 0 HD11 LEU A 55 6.436 2.456 -1.962 1.00 0.00 H new ATOM 0 HD12 LEU A 55 7.278 2.916 -0.463 1.00 0.00 H new ATOM 0 HD13 LEU A 55 5.614 3.475 -0.756 1.00 0.00 H new ATOM 0 HD21 LEU A 55 6.095 4.124 -3.771 1.00 0.00 H new ATOM 0 HD22 LEU A 55 5.251 5.253 -2.685 1.00 0.00 H new ATOM 0 HD23 LEU A 55 6.690 5.791 -3.584 1.00 0.00 H new ATOM 641 N GLN A 56 9.536 6.744 1.587 1.00 0.00 N ATOM 642 CA GLN A 56 9.742 7.702 2.660 1.00 0.00 C ATOM 643 C GLN A 56 8.434 8.428 2.983 1.00 0.00 C ATOM 644 O GLN A 56 8.419 9.647 3.145 1.00 0.00 O ATOM 645 CB GLN A 56 10.847 8.699 2.301 1.00 0.00 C ATOM 646 CG GLN A 56 12.184 7.983 2.093 1.00 0.00 C ATOM 647 CD GLN A 56 13.130 8.829 1.237 1.00 0.00 C ATOM 648 OE1 GLN A 56 12.974 10.029 1.095 1.00 0.00 O ATOM 649 NE2 GLN A 56 14.116 8.134 0.675 1.00 0.00 N ATOM 0 H GLN A 56 9.905 5.811 1.771 1.00 0.00 H new ATOM 0 HA GLN A 56 10.062 7.158 3.549 1.00 0.00 H new ATOM 0 HB2 GLN A 56 10.574 9.239 1.394 1.00 0.00 H new ATOM 0 HB3 GLN A 56 10.946 9.439 3.095 1.00 0.00 H new ATOM 0 HG2 GLN A 56 12.646 7.779 3.059 1.00 0.00 H new ATOM 0 HG3 GLN A 56 12.014 7.020 1.611 1.00 0.00 H new ATOM 0 HE21 GLN A 56 14.188 7.129 0.836 1.00 0.00 H new ATOM 0 HE22 GLN A 56 14.800 8.606 0.083 1.00 0.00 H new ATOM 656 N VAL A 57 7.367 7.646 3.066 1.00 0.00 N ATOM 657 CA VAL A 57 6.058 8.200 3.367 1.00 0.00 C ATOM 658 C VAL A 57 5.680 7.850 4.808 1.00 0.00 C ATOM 659 O VAL A 57 6.343 7.036 5.448 1.00 0.00 O ATOM 660 CB VAL A 57 5.033 7.704 2.344 1.00 0.00 C ATOM 661 CG1 VAL A 57 3.659 8.326 2.598 1.00 0.00 C ATOM 662 CG2 VAL A 57 5.505 7.981 0.916 1.00 0.00 C ATOM 0 H VAL A 57 7.382 6.635 2.930 1.00 0.00 H new ATOM 0 HA VAL A 57 6.076 9.287 3.290 1.00 0.00 H new ATOM 0 HB VAL A 57 4.938 6.625 2.462 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.950 7.957 1.857 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.316 8.054 3.596 1.00 0.00 H new ATOM 0 HG13 VAL A 57 3.731 9.411 2.522 1.00 0.00 H new ATOM 0 HG21 VAL A 57 4.758 7.619 0.209 1.00 0.00 H new ATOM 0 HG22 VAL A 57 5.643 9.054 0.780 1.00 0.00 H new ATOM 0 HG23 VAL A 57 6.451 7.468 0.739 1.00 0.00 H new ATOM 672 N HIS A 58 4.616 8.486 5.278 1.00 0.00 N ATOM 673 CA HIS A 58 4.142 8.253 6.632 1.00 0.00 C ATOM 674 C HIS A 58 3.630 6.817 6.756 1.00 0.00 C ATOM 675 O HIS A 58 4.372 5.923 7.164 1.00 0.00 O ATOM 676 CB HIS A 58 3.092 9.294 7.026 1.00 0.00 C ATOM 677 CG HIS A 58 2.477 9.059 8.386 1.00 0.00 C ATOM 678 ND1 HIS A 58 1.108 9.013 8.589 1.00 0.00 N ATOM 679 CD2 HIS A 58 3.056 8.857 9.603 1.00 0.00 C ATOM 680 CE1 HIS A 58 0.886 8.794 9.878 1.00 0.00 C ATOM 681 NE2 HIS A 58 2.093 8.698 10.504 1.00 0.00 N ATOM 0 H HIS A 58 4.069 9.162 4.745 1.00 0.00 H new ATOM 0 HA HIS A 58 4.966 8.369 7.336 1.00 0.00 H new ATOM 0 HB2 HIS A 58 3.551 10.282 7.012 1.00 0.00 H new ATOM 0 HB3 HIS A 58 2.301 9.299 6.276 1.00 0.00 H new ATOM 0 HD2 HIS A 58 4.117 8.831 9.801 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -0.082 8.707 10.349 1.00 0.00 H new ATOM 0 HE2 HIS A 58 2.234 8.531 11.500 1.00 0.00 H new ATOM 688 N LYS A 59 2.368 6.639 6.398 1.00 0.00 N ATOM 689 CA LYS A 59 1.749 5.327 6.466 1.00 0.00 C ATOM 690 C LYS A 59 1.218 4.947 5.082 1.00 0.00 C ATOM 691 O LYS A 59 1.426 5.673 4.112 1.00 0.00 O ATOM 692 CB LYS A 59 0.684 5.292 7.565 1.00 0.00 C ATOM 693 CG LYS A 59 0.788 4.007 8.388 1.00 0.00 C ATOM 694 CD LYS A 59 0.731 4.309 9.886 1.00 0.00 C ATOM 695 CE LYS A 59 1.762 3.479 10.653 1.00 0.00 C ATOM 696 NZ LYS A 59 3.109 4.080 10.527 1.00 0.00 N ATOM 0 H LYS A 59 1.757 7.382 6.060 1.00 0.00 H new ATOM 0 HA LYS A 59 2.485 4.572 6.744 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.802 6.157 8.218 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -0.308 5.363 7.118 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -0.024 3.332 8.118 1.00 0.00 H new ATOM 0 HG3 LYS A 59 1.721 3.494 8.152 1.00 0.00 H new ATOM 0 HD2 LYS A 59 0.916 5.370 10.054 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -0.268 4.095 10.266 1.00 0.00 H new ATOM 0 HE2 LYS A 59 1.481 3.420 11.704 1.00 0.00 H new ATOM 0 HE3 LYS A 59 1.775 2.459 10.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 3.797 3.504 11.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 3.382 4.114 9.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 3.096 5.045 10.915 1.00 0.00 H new ATOM 705 N VAL A 60 0.539 3.809 5.034 1.00 0.00 N ATOM 706 CA VAL A 60 -0.023 3.324 3.787 1.00 0.00 C ATOM 707 C VAL A 60 -1.067 4.322 3.281 1.00 0.00 C ATOM 708 O VAL A 60 -1.195 4.536 2.077 1.00 0.00 O ATOM 709 CB VAL A 60 -0.587 1.915 3.979 1.00 0.00 C ATOM 710 CG1 VAL A 60 -1.501 1.526 2.816 1.00 0.00 C ATOM 711 CG2 VAL A 60 0.539 0.894 4.156 1.00 0.00 C ATOM 0 H VAL A 60 0.366 3.209 5.841 1.00 0.00 H new ATOM 0 HA VAL A 60 0.751 3.248 3.024 1.00 0.00 H new ATOM 0 HB VAL A 60 -1.186 1.916 4.890 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -1.888 0.520 2.978 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -2.332 2.229 2.755 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -0.935 1.551 1.885 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.111 -0.100 4.291 1.00 0.00 H new ATOM 0 HG22 VAL A 60 1.176 0.898 3.272 1.00 0.00 H new ATOM 0 HG23 VAL A 60 1.133 1.155 5.032 1.00 0.00 H new ATOM 721 N THR A 61 -1.789 4.904 4.228 1.00 0.00 N ATOM 722 CA THR A 61 -2.818 5.873 3.894 1.00 0.00 C ATOM 723 C THR A 61 -2.231 7.006 3.051 1.00 0.00 C ATOM 724 O THR A 61 -2.778 7.354 2.004 1.00 0.00 O ATOM 725 CB THR A 61 -3.454 6.357 5.200 1.00 0.00 C ATOM 726 OG1 THR A 61 -4.293 7.436 4.800 1.00 0.00 O ATOM 727 CG2 THR A 61 -2.438 7.004 6.143 1.00 0.00 C ATOM 0 H THR A 61 -1.681 4.723 5.226 1.00 0.00 H new ATOM 0 HA THR A 61 -3.599 5.423 3.281 1.00 0.00 H new ATOM 0 HB THR A 61 -3.931 5.516 5.703 1.00 0.00 H new ATOM 0 HG1 THR A 61 -4.745 7.807 5.586 1.00 0.00 H new ATOM 0 HG21 THR A 61 -2.942 7.329 7.053 1.00 0.00 H new ATOM 0 HG22 THR A 61 -1.664 6.280 6.396 1.00 0.00 H new ATOM 0 HG23 THR A 61 -1.983 7.865 5.653 1.00 0.00 H new ATOM 735 N GLU A 62 -1.124 7.550 3.534 1.00 0.00 N ATOM 736 CA GLU A 62 -0.456 8.636 2.838 1.00 0.00 C ATOM 737 C GLU A 62 0.094 8.147 1.496 1.00 0.00 C ATOM 738 O GLU A 62 0.415 8.951 0.623 1.00 0.00 O ATOM 739 CB GLU A 62 0.655 9.238 3.699 1.00 0.00 C ATOM 740 CG GLU A 62 0.236 10.596 4.266 1.00 0.00 C ATOM 741 CD GLU A 62 0.932 11.739 3.526 1.00 0.00 C ATOM 742 OE1 GLU A 62 0.752 11.892 2.309 1.00 0.00 O ATOM 743 OE2 GLU A 62 1.682 12.488 4.262 1.00 0.00 O ATOM 0 H GLU A 62 -0.672 7.258 4.401 1.00 0.00 H new ATOM 0 HA GLU A 62 -1.186 9.422 2.645 1.00 0.00 H new ATOM 0 HB2 GLU A 62 0.896 8.558 4.516 1.00 0.00 H new ATOM 0 HB3 GLU A 62 1.560 9.353 3.103 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.845 10.710 4.184 1.00 0.00 H new ATOM 0 HG3 GLU A 62 0.482 10.642 5.327 1.00 0.00 H new ATOM 749 N LEU A 63 0.184 6.831 1.374 1.00 0.00 N ATOM 750 CA LEU A 63 0.690 6.226 0.155 1.00 0.00 C ATOM 751 C LEU A 63 -0.395 6.278 -0.923 1.00 0.00 C ATOM 752 O LEU A 63 -0.128 6.666 -2.059 1.00 0.00 O ATOM 753 CB LEU A 63 1.212 4.815 0.433 1.00 0.00 C ATOM 754 CG LEU A 63 2.729 4.629 0.336 1.00 0.00 C ATOM 755 CD1 LEU A 63 3.109 3.152 0.452 1.00 0.00 C ATOM 756 CD2 LEU A 63 3.278 5.264 -0.943 1.00 0.00 C ATOM 0 H LEU A 63 -0.085 6.167 2.100 1.00 0.00 H new ATOM 0 HA LEU A 63 1.544 6.788 -0.223 1.00 0.00 H new ATOM 0 HB2 LEU A 63 0.893 4.522 1.433 1.00 0.00 H new ATOM 0 HB3 LEU A 63 0.736 4.129 -0.267 1.00 0.00 H new ATOM 0 HG LEU A 63 3.191 5.147 1.177 1.00 0.00 H new ATOM 0 HD11 LEU A 63 4.192 3.048 0.380 1.00 0.00 H new ATOM 0 HD12 LEU A 63 2.770 2.764 1.412 1.00 0.00 H new ATOM 0 HD13 LEU A 63 2.636 2.590 -0.354 1.00 0.00 H new ATOM 0 HD21 LEU A 63 4.357 5.118 -0.988 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.812 4.796 -1.810 1.00 0.00 H new ATOM 0 HD23 LEU A 63 3.056 6.331 -0.944 1.00 0.00 H new ATOM 767 N LEU A 64 -1.597 5.882 -0.527 1.00 0.00 N ATOM 768 CA LEU A 64 -2.722 5.879 -1.445 1.00 0.00 C ATOM 769 C LEU A 64 -2.903 7.281 -2.029 1.00 0.00 C ATOM 770 O LEU A 64 -3.258 7.430 -3.198 1.00 0.00 O ATOM 771 CB LEU A 64 -3.975 5.334 -0.754 1.00 0.00 C ATOM 772 CG LEU A 64 -4.002 3.825 -0.504 1.00 0.00 C ATOM 773 CD1 LEU A 64 -3.123 3.452 0.691 1.00 0.00 C ATOM 774 CD2 LEU A 64 -5.437 3.321 -0.341 1.00 0.00 C ATOM 0 H LEU A 64 -1.815 5.562 0.417 1.00 0.00 H new ATOM 0 HA LEU A 64 -2.529 5.208 -2.282 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -4.088 5.843 0.203 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -4.843 5.597 -1.359 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.584 3.326 -1.379 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -3.160 2.374 0.847 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -2.095 3.755 0.495 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.487 3.961 1.584 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.427 2.245 -0.164 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -5.905 3.823 0.506 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -6.003 3.535 -1.248 1.00 0.00 H new ATOM 785 N ASN A 65 -2.649 8.275 -1.190 1.00 0.00 N ATOM 786 CA ASN A 65 -2.779 9.660 -1.609 1.00 0.00 C ATOM 787 C ASN A 65 -1.537 10.066 -2.404 1.00 0.00 C ATOM 788 O ASN A 65 -1.571 11.033 -3.164 1.00 0.00 O ATOM 789 CB ASN A 65 -2.893 10.592 -0.401 1.00 0.00 C ATOM 790 CG ASN A 65 -3.672 9.925 0.736 1.00 0.00 C ATOM 791 OD1 ASN A 65 -3.233 10.241 1.951 1.00 0.00 O flip ATOM 792 ND2 ASN A 65 -4.608 9.173 0.522 1.00 0.00 N flip ATOM 0 H ASN A 65 -2.354 8.148 -0.222 1.00 0.00 H new ATOM 0 HA ASN A 65 -3.680 9.746 -2.217 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -1.897 10.865 -0.053 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -3.392 11.515 -0.695 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -4.893 8.973 -0.437 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -5.106 8.744 1.302 1.00 0.00 H new ATOM 798 N CYS A 66 -0.470 9.306 -2.203 1.00 0.00 N ATOM 799 CA CYS A 66 0.780 9.576 -2.892 1.00 0.00 C ATOM 800 C CYS A 66 0.630 9.136 -4.349 1.00 0.00 C ATOM 801 O CYS A 66 0.764 9.949 -5.264 1.00 0.00 O ATOM 802 CB CYS A 66 1.963 8.887 -2.208 1.00 0.00 C ATOM 803 SG CYS A 66 2.591 9.932 -0.843 1.00 0.00 S ATOM 0 H CYS A 66 -0.446 8.504 -1.573 1.00 0.00 H new ATOM 0 HA CYS A 66 0.995 10.644 -2.856 1.00 0.00 H new ATOM 0 HB2 CYS A 66 1.655 7.916 -1.821 1.00 0.00 H new ATOM 0 HB3 CYS A 66 2.757 8.705 -2.932 1.00 0.00 H new ATOM 0 HG CYS A 66 1.879 9.725 0.225 1.00 0.00 H new ATOM 808 N ALA A 67 0.353 7.852 -4.521 1.00 0.00 N ATOM 809 CA ALA A 67 0.183 7.295 -5.852 1.00 0.00 C ATOM 810 C ALA A 67 -0.875 8.103 -6.607 1.00 0.00 C ATOM 811 O ALA A 67 -0.669 8.477 -7.760 1.00 0.00 O ATOM 812 CB ALA A 67 -0.183 5.814 -5.743 1.00 0.00 C ATOM 0 H ALA A 67 0.242 7.181 -3.761 1.00 0.00 H new ATOM 0 HA ALA A 67 1.113 7.360 -6.417 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -0.311 5.396 -6.742 1.00 0.00 H new ATOM 0 HB2 ALA A 67 0.613 5.280 -5.225 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -1.113 5.709 -5.184 1.00 0.00 H new ATOM 818 N ARG A 68 -1.985 8.346 -5.925 1.00 0.00 N ATOM 819 CA ARG A 68 -3.076 9.103 -6.518 1.00 0.00 C ATOM 820 C ARG A 68 -2.622 10.528 -6.838 1.00 0.00 C ATOM 821 O ARG A 68 -2.670 10.954 -7.990 1.00 0.00 O ATOM 822 CB ARG A 68 -4.281 9.158 -5.577 1.00 0.00 C ATOM 823 CG ARG A 68 -5.590 9.231 -6.366 1.00 0.00 C ATOM 824 CD ARG A 68 -6.643 8.296 -5.768 1.00 0.00 C ATOM 825 NE ARG A 68 -7.115 7.342 -6.795 1.00 0.00 N ATOM 826 CZ ARG A 68 -8.125 6.466 -6.608 1.00 0.00 C ATOM 827 NH1 ARG A 68 -8.777 6.415 -5.428 1.00 0.00 N ATOM 828 NH2 ARG A 68 -8.463 5.658 -7.595 1.00 0.00 N ATOM 0 H ARG A 68 -2.153 8.033 -4.969 1.00 0.00 H new ATOM 0 HA ARG A 68 -3.369 8.597 -7.438 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -4.287 8.276 -4.936 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -4.197 10.026 -4.923 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -5.964 10.255 -6.363 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -5.407 8.961 -7.406 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -6.221 7.753 -4.922 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -7.483 8.877 -5.387 1.00 0.00 H new ATOM 0 HE ARG A 68 -6.648 7.346 -7.702 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -8.508 7.041 -4.669 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -9.539 5.750 -5.295 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -7.963 5.701 -8.483 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -9.224 4.990 -7.470 1.00 0.00 H new ATOM 838 N ARG A 69 -2.189 11.225 -5.797 1.00 0.00 N ATOM 839 CA ARG A 69 -1.725 12.593 -5.954 1.00 0.00 C ATOM 840 C ARG A 69 -1.363 13.189 -4.592 1.00 0.00 C ATOM 841 O ARG A 69 -0.191 13.436 -4.312 1.00 0.00 O ATOM 842 CB ARG A 69 -2.795 13.464 -6.616 1.00 0.00 C ATOM 843 CG ARG A 69 -2.317 14.910 -6.751 1.00 0.00 C ATOM 844 CD ARG A 69 -1.813 15.191 -8.168 1.00 0.00 C ATOM 845 NE ARG A 69 -0.412 15.670 -8.123 1.00 0.00 N ATOM 846 CZ ARG A 69 0.374 15.816 -9.210 1.00 0.00 C ATOM 847 NH1 ARG A 69 -0.098 15.522 -10.440 1.00 0.00 N ATOM 848 NH2 ARG A 69 1.610 16.250 -9.052 1.00 0.00 N ATOM 0 H ARG A 69 -2.150 10.868 -4.842 1.00 0.00 H new ATOM 0 HA ARG A 69 -0.842 12.574 -6.593 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -3.037 13.064 -7.601 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -3.711 13.433 -6.025 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -3.134 15.591 -6.510 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -1.520 15.102 -6.033 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -1.877 14.286 -8.772 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -2.446 15.938 -8.646 1.00 0.00 H new ATOM 0 HE ARG A 69 -0.016 15.904 -7.213 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -1.055 15.187 -10.552 1.00 0.00 H new ATOM 0 HH12 ARG A 69 0.502 15.635 -11.257 1.00 0.00 H new ATOM 0 HH21 ARG A 69 1.958 16.469 -8.119 1.00 0.00 H new ATOM 0 HH22 ARG A 69 2.217 16.366 -9.863 1.00 0.00 H new ATOM 858 N MET A 70 -2.390 13.403 -3.783 1.00 0.00 N ATOM 859 CA MET A 70 -2.192 13.966 -2.457 1.00 0.00 C ATOM 860 C MET A 70 -3.493 14.563 -1.917 1.00 0.00 C ATOM 861 O MET A 70 -3.487 15.639 -1.323 1.00 0.00 O ATOM 862 CB MET A 70 -1.119 15.054 -2.518 1.00 0.00 C ATOM 863 CG MET A 70 0.221 14.533 -1.992 1.00 0.00 C ATOM 864 SD MET A 70 0.415 14.975 -0.275 1.00 0.00 S ATOM 865 CE MET A 70 2.124 14.520 -0.031 1.00 0.00 C ATOM 0 H MET A 70 -3.361 13.197 -4.019 1.00 0.00 H new ATOM 0 HA MET A 70 -1.873 13.167 -1.787 1.00 0.00 H new ATOM 0 HB2 MET A 70 -1.002 15.397 -3.546 1.00 0.00 H new ATOM 0 HB3 MET A 70 -1.435 15.915 -1.929 1.00 0.00 H new ATOM 0 HG2 MET A 70 0.269 13.450 -2.105 1.00 0.00 H new ATOM 0 HG3 MET A 70 1.039 14.951 -2.579 1.00 0.00 H new ATOM 0 HE1 MET A 70 2.413 14.732 0.998 1.00 0.00 H new ATOM 0 HE2 MET A 70 2.249 13.456 -0.232 1.00 0.00 H new ATOM 0 HE3 MET A 70 2.754 15.094 -0.710 1.00 0.00 H new ATOM 873 N ARG A 71 -4.580 13.837 -2.142 1.00 0.00 N ATOM 874 CA ARG A 71 -5.885 14.281 -1.686 1.00 0.00 C ATOM 875 C ARG A 71 -6.011 14.090 -0.173 1.00 0.00 C ATOM 876 O ARG A 71 -6.502 14.973 0.529 1.00 0.00 O ATOM 877 CB ARG A 71 -7.005 13.509 -2.385 1.00 0.00 C ATOM 878 CG ARG A 71 -7.089 13.885 -3.865 1.00 0.00 C ATOM 879 CD ARG A 71 -8.534 14.183 -4.274 1.00 0.00 C ATOM 880 NE ARG A 71 -8.562 15.264 -5.285 1.00 0.00 N ATOM 881 CZ ARG A 71 -8.126 16.522 -5.060 1.00 0.00 C ATOM 882 NH1 ARG A 71 -7.626 16.868 -3.855 1.00 0.00 N ATOM 883 NH2 ARG A 71 -8.199 17.408 -6.035 1.00 0.00 N ATOM 0 H ARG A 71 -4.582 12.944 -2.635 1.00 0.00 H new ATOM 0 HA ARG A 71 -5.980 15.339 -1.932 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -6.829 12.438 -2.288 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -7.957 13.721 -1.898 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -6.465 14.758 -4.058 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -6.695 13.071 -4.474 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -8.999 13.284 -4.678 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -9.115 14.477 -3.400 1.00 0.00 H new ATOM 0 HE ARG A 71 -8.934 15.045 -6.209 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -7.575 16.177 -3.106 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -7.299 17.820 -3.693 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -8.580 17.138 -6.942 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -7.874 18.363 -5.882 1.00 0.00 H new ATOM 893 N LEU A 72 -5.558 12.932 0.285 1.00 0.00 N ATOM 894 CA LEU A 72 -5.614 12.614 1.702 1.00 0.00 C ATOM 895 C LEU A 72 -7.043 12.208 2.074 1.00 0.00 C ATOM 896 O LEU A 72 -7.688 12.869 2.886 1.00 0.00 O ATOM 897 CB LEU A 72 -5.070 13.776 2.534 1.00 0.00 C ATOM 898 CG LEU A 72 -3.761 14.399 2.040 1.00 0.00 C ATOM 899 CD1 LEU A 72 -3.900 15.915 1.885 1.00 0.00 C ATOM 900 CD2 LEU A 72 -2.595 14.020 2.956 1.00 0.00 C ATOM 0 H LEU A 72 -5.151 12.203 -0.300 1.00 0.00 H new ATOM 0 HA LEU A 72 -4.971 11.763 1.926 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -5.830 14.557 2.572 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -4.921 13.427 3.556 1.00 0.00 H new ATOM 0 HG LEU A 72 -3.540 13.994 1.053 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -2.957 16.333 1.533 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -4.687 16.136 1.164 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -4.156 16.357 2.848 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -1.677 14.475 2.584 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -2.794 14.379 3.966 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -2.482 12.936 2.972 1.00 0.00 H new ATOM 911 N ILE A 73 -7.494 11.124 1.461 1.00 0.00 N ATOM 912 CA ILE A 73 -8.834 10.623 1.716 1.00 0.00 C ATOM 913 C ILE A 73 -8.770 9.115 1.967 1.00 0.00 C ATOM 914 O ILE A 73 -9.381 8.613 2.909 1.00 0.00 O ATOM 915 CB ILE A 73 -9.780 11.019 0.580 1.00 0.00 C ATOM 916 CG1 ILE A 73 -9.158 10.707 -0.784 1.00 0.00 C ATOM 917 CG2 ILE A 73 -10.196 12.485 0.700 1.00 0.00 C ATOM 918 CD1 ILE A 73 -9.398 9.248 -1.175 1.00 0.00 C ATOM 0 H ILE A 73 -6.955 10.578 0.788 1.00 0.00 H new ATOM 0 HA ILE A 73 -9.247 11.079 2.616 1.00 0.00 H new ATOM 0 HB ILE A 73 -10.687 10.420 0.664 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -9.584 11.365 -1.541 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -8.087 10.908 -0.754 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -10.868 12.741 -0.119 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -10.706 12.642 1.650 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -9.311 13.119 0.655 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -8.946 9.053 -2.148 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -8.949 8.593 -0.428 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -10.470 9.057 -1.228 1.00 0.00 H new ATOM 929 N GLU A 74 -8.025 8.436 1.107 1.00 0.00 N ATOM 930 CA GLU A 74 -7.874 6.995 1.224 1.00 0.00 C ATOM 931 C GLU A 74 -9.123 6.286 0.697 1.00 0.00 C ATOM 932 O GLU A 74 -9.880 5.700 1.470 1.00 0.00 O ATOM 933 CB GLU A 74 -7.582 6.589 2.670 1.00 0.00 C ATOM 934 CG GLU A 74 -6.994 5.178 2.735 1.00 0.00 C ATOM 935 CD GLU A 74 -7.587 4.393 3.907 1.00 0.00 C ATOM 936 OE1 GLU A 74 -8.806 4.169 3.950 1.00 0.00 O ATOM 937 OE2 GLU A 74 -6.732 4.008 4.793 1.00 0.00 O ATOM 0 H GLU A 74 -7.520 8.856 0.327 1.00 0.00 H new ATOM 0 HA GLU A 74 -7.022 6.688 0.617 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -6.885 7.298 3.117 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -8.500 6.632 3.256 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -7.195 4.653 1.801 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -5.911 5.236 2.842 1.00 0.00 H new ATOM 943 N TYR A 75 -9.300 6.363 -0.613 1.00 0.00 N ATOM 944 CA TYR A 75 -10.446 5.736 -1.252 1.00 0.00 C ATOM 945 C TYR A 75 -10.599 4.283 -0.796 1.00 0.00 C ATOM 946 O TYR A 75 -11.709 3.826 -0.530 1.00 0.00 O ATOM 947 CB TYR A 75 -10.155 5.759 -2.754 1.00 0.00 C ATOM 948 CG TYR A 75 -10.891 4.675 -3.546 1.00 0.00 C ATOM 949 CD1 TYR A 75 -12.150 4.926 -4.052 1.00 0.00 C ATOM 950 CD2 TYR A 75 -10.294 3.449 -3.754 1.00 0.00 C ATOM 951 CE1 TYR A 75 -12.842 3.908 -4.798 1.00 0.00 C ATOM 952 CE2 TYR A 75 -10.987 2.429 -4.499 1.00 0.00 C ATOM 953 CZ TYR A 75 -12.227 2.709 -4.985 1.00 0.00 C ATOM 954 OH TYR A 75 -12.881 1.747 -5.689 1.00 0.00 O ATOM 0 H TYR A 75 -8.670 6.850 -1.250 1.00 0.00 H new ATOM 0 HA TYR A 75 -11.365 6.263 -0.996 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -10.430 6.736 -3.152 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -9.082 5.642 -2.908 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -12.616 5.886 -3.888 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -9.308 3.254 -3.359 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -13.827 4.092 -5.200 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -10.533 1.464 -4.668 1.00 0.00 H new ATOM 0 HH TYR A 75 -12.321 0.944 -5.744 1.00 0.00 H new TER 963 TYR A 75